#DEFINITION	Reference Metabolome for Catalpa ovata
#IDENTTFIER	RefMeta-Catalpa ovata.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Catalpa ovata
#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 Catalpa ovata 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	257.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47301	1.7
53.03930	6.4
55.01859	11.5
55.05502	40.2
57.03419	4.3
57.07068	2.6
61.02913	6.2
65.03930	2.7
67.05492	25.1
68.66628	1.7
69.03409	8.4
69.07059	39.9
71.04974	7.6
71.46948	2.0
71.70702	2.5
77.03848	2.1
79.05482	31.9
80.72505	2.0
81.03394	7.7
81.07046	52.5
83.04983	10.5
83.08607	39.9
84.08157	2.1
85.06531	72.0
91.05455	18.4
93.07028	100.0
95.04958	17.4
95.08593	37.6
97.02863	2.3
97.06512	40.3
97.10143	8.2
99.04474	3.5
99.08060	8.1
105.07010	24.3
107.08586	17.8
109.02870	3.4
109.06490	25.2
109.10139	8.7
111.04432	3.0
111.08061	36.1
117.06973	2.8
119.08565	22.9
121.06491	18.4
121.10125	19.9
123.08018	5.0
123.11697	18.7
125.06005	4.9
125.09572	2.7
127.84410	2.1
128.06201	2.8
129.05473	3.4
129.06993	3.4
130.07466	2.0
131.08540	5.5
133.10114	10.8
137.05948	2.9
137.09599	4.1
139.07521	87.9
139.11168	6.1
140.15137	2.1
141.06963	2.0
142.07741	2.1
143.07072	4.3
143.08482	3.3
145.10115	4.6
147.08043	4.0
147.11595	2.5
148.07622	2.1
149.13315	3.3
151.07524	4.1
153.06903	2.1
155.07025	2.8
155.08543	3.1
157.08588	89.3
157.09909	5.4
159.08102	2.3
159.11690	6.5
161.09654	2.4
161.13240	34.1
169.08582	4.8
169.10016	2.2
171.11650	4.1
173.09622	3.1
173.13251	2.9
175.14799	10.2
177.16289	3.1
179.14310	9.3
183.11696	5.0
185.13205	3.4
191.42276	2.3
193.15868	2.2
197.15324	11.2
199.14769	2.9
201.09090	9.4
203.14326	11.0
207.45920	2.9
221.15335	15.7
239.10568	2.9
239.16333	16.5
257.04407	3.2
257.07837	10.1
257.11884	4.3
257.14990	5.3
257.17276	37.2
258.05078	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	3.9
54.51279	1.1
55.01859	7.6
55.05501	36.3
57.03423	7.3
57.07047	5.2
59.04972	5.1
65.03939	1.9
67.05145	2.0
67.05492	37.5
69.03416	11.9
69.07054	100.0
70.06559	2.3
71.01337	2.8
71.04982	16.6
73.06529	2.9
79.05479	37.4
81.03403	29.6
81.07042	47.2
83.04967	18.2
83.08617	10.9
84.04472	1.7
85.02879	9.2
85.06531	6.6
86.09668	5.1
87.04450	1.8
91.04924	2.1
91.05466	31.9
93.07028	54.1
94.07368	1.4
95.01292	1.5
95.04955	13.6
95.08586	44.5
97.02874	15.6
97.06519	16.3
97.10141	12.9
98.06054	1.9
98.20649	2.5
99.04426	6.3
99.08052	1.5
101.05968	2.4
105.07013	21.0
107.04910	3.7
107.08575	19.3
109.02818	1.3
109.06519	9.3
109.10133	15.2
111.04414	9.2
111.08062	12.0
111.11695	4.5
113.02322	4.7
113.05993	1.8
115.03860	1.7
117.06981	4.5
119.08558	28.7
121.06451	3.5
121.10123	29.9
123.04382	2.5
123.08065	7.4
123.11672	2.3
125.05955	2.8
125.09579	7.2
127.03898	1.6
127.07497	3.0
129.05452	6.5
129.06955	2.5
131.08531	2.9
133.10106	17.4
135.08014	3.8
135.11673	11.1
137.05925	6.5
137.09586	15.7
137.13190	2.1
139.07515	3.0
139.11147	20.7
141.05299	1.6
143.08525	2.1
147.07997	4.2
147.11658	4.8
149.09590	2.7
151.07469	1.5
151.11166	1.6
151.14819	1.6
152.07053	2.5
153.09082	27.6
153.12682	1.3
155.07014	11.7
159.11633	5.1
161.09595	1.9
161.13228	26.6
163.07491	2.6
165.09090	4.0
167.10666	1.4
173.13255	1.8
175.14771	14.0
177.49971	1.3
179.14288	17.3
181.08511	4.0
182.54980	1.4
183.08025	1.5
185.13203	4.3
187.56242	1.3
193.15810	5.2
196.08444	1.4
197.15337	22.8
203.14287	6.7
221.15309	10.2
234.98891	1.5
239.10582	1.5
239.12737	5.1
239.16368	26.1
257.04465	3.5
257.08307	4.4
257.11526	2.8
257.17404	75.3
257.26483	1.6
258.17712	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44899	0.9
55.01860	1.4
55.05512	5.0
59.04991	14.7
59.89560	0.8
65.03933	1.1
67.05492	7.2
69.03419	21.9
69.07051	2.6
70.79823	2.8
79.05492	5.6
81.03435	1.3
81.07038	5.0
83.04960	4.3
83.08612	6.4
91.05464	6.3
93.07011	7.4
95.04964	3.5
95.08611	3.8
97.02877	62.9
97.06506	2.9
105.07042	4.4
107.04955	2.8
107.08575	27.6
109.06529	3.3
109.10133	12.5
111.04413	8.6
111.08064	34.9
115.03910	1.2
119.08565	4.1
121.06519	1.6
122.07262	8.4
125.09619	24.0
127.07536	6.4
131.08543	1.0
133.10080	1.5
135.08034	14.1
135.08942	1.4
137.05984	1.0
137.09592	51.8
139.07510	5.3
139.11098	0.8
150.25502	0.8
153.09082	100.0
154.09477	1.1
155.10577	0.8
161.13242	1.2
163.07526	11.2
181.08578	12.7
193.12207	1.0
199.09659	7.8
211.07336	0.9
211.13220	1.2
221.11746	1.5
239.12740	20.1
257.07993	2.0
257.18973	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28047	0.6
53.03942	1.4
55.01863	3.4
55.05502	3.3
56.05813	0.8
56.96560	51.8
57.03440	5.3
57.07059	1.0
58.06585	1.6
58.99858	1.5
59.05010	0.7
60.60465	0.7
60.95831	0.8
61.02924	10.9
67.05503	2.6
69.03423	9.3
69.07064	0.9
70.03772	0.7
70.06586	2.5
70.15634	1.7
70.16038	2.2
70.98111	2.4
71.01357	1.6
71.04972	1.7
71.95258	5.7
72.08142	4.3
72.14828	0.7
73.02914	5.3
73.06549	0.9
74.06053	0.9
74.97604	1.5
77.00903	1.2
79.05479	3.1
81.03410	9.5
81.04560	0.7
81.07038	3.0
82.06583	1.4
82.99834	0.7
83.04967	3.1
84.01552	0.9
84.04498	1.9
84.08136	3.6
84.96024	4.2
85.02905	13.0
86.06054	0.7
86.09688	2.4
87.04468	2.4
88.07637	0.7
88.99159	1.7
89.00765	0.8
91.02426	1.3
91.03953	1.0
91.05480	6.0
93.07046	1.3
95.04961	3.2
96.04453	1.4
96.95866	0.6
97.02879	10.6
97.06519	1.3
98.01286	1.3
98.03185	1.0
98.06040	0.8
98.97574	83.2
99.04432	2.3
101.00865	1.9
102.97034	1.4
103.02402	1.3
105.00342	0.9
105.07014	1.1
107.04935	2.7
108.04492	3.7
109.02878	4.3
109.06521	1.8
110.07154	1.1
110.97559	3.3
111.00245	2.2
111.04402	3.6
113.00863	0.8
115.02397	2.6
115.56718	0.6
116.04029	0.7
116.98611	100.0
117.01843	3.3
117.03967	1.4
117.98932	0.7
118.01035	1.7
118.03511	1.1
119.01916	12.7
119.04918	2.6
120.02030	1.6
121.01643	1.8
121.02796	0.8
121.03539	0.9
121.06484	2.0
121.98924	0.7
123.04454	3.5
123.05515	1.9
125.06086	0.9
125.07096	3.8
127.01543	3.3
127.03951	3.2
127.04826	0.9
128.02261	0.7
128.98625	5.7
130.08650	1.0
130.93289	2.7
131.00200	1.1
131.01886	10.2
132.00665	1.3
133.01585	3.3
133.03459	4.3
134.03566	0.7
134.05991	5.0
134.99644	100.0
135.04323	1.9
136.02010	1.0
137.02911	3.1
137.05975	2.2
139.01469	0.9
139.03932	0.9
140.00157	3.3
140.98593	0.9
141.01239	0.9
141.03926	0.9
142.52563	0.9
143.00116	1.1
143.01907	2.1
145.01672	1.4
145.03433	5.5
145.04967	0.9
145.10083	0.9
146.00314	1.4
146.04968	0.9
146.55089	1.1
146.99628	8.9
147.01350	2.0
147.04283	0.9
147.05833	1.7
147.55872	1.4
147.80972	0.7
148.02020	2.1
148.03862	3.0
148.94339	1.5
149.01166	1.9
149.02904	2.7
149.05928	1.0
151.02736	0.9
152.00470	1.2
152.07030	7.1
153.00691	18.5
153.05646	0.8
154.03847	2.9
155.00101	1.2
155.01910	2.6
156.01773	2.1
157.02478	6.0
157.03622	1.2
157.04507	1.0
158.01271	7.8
158.99664	3.2
159.03143	0.8
159.05029	2.6
160.04727	1.0
161.01178	2.3
161.02922	7.5
161.06596	2.8
162.03076	1.0
163.02579	1.3
163.04404	2.2
165.00726	2.7
165.02365	1.3
165.04042	1.2
165.05498	2.2
167.05585	1.1
168.53343	1.0
169.03441	2.5
170.05083	0.8
170.99622	2.0
171.01494	1.0
171.03600	0.7
171.05051	3.1
172.94308	3.6
172.97670	1.2
173.01372	1.2
173.02922	4.6
173.04370	1.0
173.06584	1.9
174.99249	0.9
175.00836	1.9
175.02602	1.7
175.04326	1.3
175.12039	0.8
177.00749	3.9
177.02412	1.2
177.04057	1.1
179.02109	0.7
181.03452	2.0
182.01508	1.1
183.05009	2.7
183.06544	0.9
184.04604	1.2
185.01202	1.9
185.02928	2.5
186.99062	0.8
187.02728	1.5
187.04478	2.1
187.06178	0.8
188.01561	2.1
189.00645	2.7
189.02414	2.1
189.04144	1.2
189.06049	1.8
190.01279	3.6
190.95381	8.8
190.98648	5.8
191.02257	1.1
191.03807	1.4
191.99022	0.9
192.98657	1.2
193.00209	1.3
193.01790	1.5
193.03473	3.4
193.05136	0.9
195.05077	2.3
196.51414	0.8
196.55850	0.9
197.02051	12.2
197.03864	2.2
197.52274	1.3
197.53957	0.9
199.02760	2.0
199.04518	1.9
201.00656	1.0
201.02405	1.3
201.04228	1.0
201.06096	1.1
203.02197	1.7
203.03868	1.3
205.00151	1.5
206.02603	10.1
207.01662	1.0
208.96445	4.6
208.99593	1.2
209.02933	1.0
211.02667	4.0
211.04535	9.7
211.06380	1.3
211.07996	0.9
212.02541	1.6
213.06079	3.1
214.95348	1.6
215.02213	1.9
215.03954	2.5
215.07591	1.6
216.05150	1.0
216.98587	1.0
217.03841	0.9
217.53447	2.3
219.01773	1.5
219.03642	0.9
221.03081	1.4
221.05069	2.8
221.09314	0.9
222.07497	0.9
223.04620	1.8
227.02454	0.9
227.03755	0.8
228.05040	0.8
229.03740	1.6
229.05667	4.6
231.07109	1.7
231.98056	0.7
232.96407	8.8
232.99576	0.9
233.01535	1.1
234.06126	7.7
234.10085	1.0
234.99683	2.2
237.02728	0.8
239.02275	2.1
239.10129	1.1
240.08728	1.0
240.17056	1.2
245.05121	0.8
250.97441	6.5
251.02547	2.5
252.02734	1.3
252.07254	1.6
256.11798	0.9
256.26346	3.2
256.96359	11.5
257.03201	2.6
257.05136	3.1
257.08463	1.4
257.11603	9.1
257.14923	5.7
257.19470	1.4
263.00958	1.0
273.99173	1.0
274.97482	93.9
275.03976	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	256.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06546	0.3
53.03932	0.9
55.01865	3.6
55.05499	0.4
56.96556	2.9
57.03428	7.4
58.99847	0.4
59.04976	1.0
61.02661	0.5
61.02923	4.9
67.05479	0.4
69.03421	6.1
70.03382	1.0
70.03793	0.9
70.06564	0.7
71.01343	2.0
71.04961	0.9
72.04489	0.8
73.02522	0.4
73.02907	4.8
73.06536	0.3
74.06077	0.4
75.04479	0.3
77.00861	0.5
80.05003	2.0
81.03411	2.4
83.04972	0.8
83.06077	0.7
84.08139	0.5
85.02382	0.5
85.02888	9.0
85.06526	0.8
86.06055	0.3
87.04452	1.4
90.04215	0.4
91.03971	0.5
95.03450	0.4
95.04922	0.4
96.04455	1.2
97.02255	0.4
97.02877	7.5
98.97559	2.3
99.04440	1.4
100.02466	0.8
101.00866	1.4
101.02382	1.2
101.06009	0.5
102.04190	0.4
103.02448	0.4
103.03201	0.3
103.03903	0.7
106.02867	0.3
108.04235	0.4
109.02872	1.3
109.04967	0.5
110.07143	0.9
110.97494	0.4
112.99106	0.8
113.00826	0.3
114.04199	0.4
114.05496	0.9
114.93957	0.3
115.02424	1.6
115.03931	2.9
115.05031	0.6
116.98595	1.4
117.02016	0.4
117.03976	1.4
118.03528	0.7
119.01871	3.0
121.01609	0.4
121.03440	0.5
123.04478	0.2
123.05547	1.4
124.03932	100.0
125.04290	1.4
125.07119	0.4
127.02415	0.6
127.03920	1.4
128.98589	0.7
129.01840	1.6
129.03938	0.7
131.00160	1.0
131.01874	1.3
131.05544	1.6
133.03445	2.4
133.04939	3.3
134.05978	0.4
134.99585	0.4
135.04991	0.9
139.04140	0.5
140.02324	0.3
143.01910	1.5
143.03363	0.9
143.05551	0.4
144.05324	0.4
145.01628	0.4
145.03447	1.4
145.04971	0.7
146.04977	0.4
146.99582	0.7
147.01366	0.4
147.03038	0.4
147.04990	1.2
148.07663	0.4
149.01225	0.7
149.06573	2.8
150.06615	0.3
152.07059	0.9
153.05763	6.8
153.55867	2.0
154.03705	0.5
155.01903	0.7
155.08144	1.9
157.01346	1.0
157.03510	0.8
158.06590	0.5
158.99605	0.5
159.05014	1.1
160.04715	1.0
161.02916	1.4
161.04436	1.1
161.06612	2.6
161.55588	0.7
162.06352	3.3
162.56288	0.5
163.02794	0.9
163.04427	1.9
166.08618	0.9
167.05412	0.5
169.05408	0.6
171.01437	0.5
171.02863	0.5
173.01346	0.4
173.02954	0.9
173.06627	0.9
173.57074	0.6
175.05263	1.3
175.55396	0.7
176.03159	0.3
177.00720	0.7
177.06139	0.3
178.04877	0.3
179.07635	0.8
184.05626	0.4
185.02942	0.9
185.06625	0.9
189.02458	0.6
189.03961	2.3
189.05615	0.4
203.02345	0.4
203.03944	0.6
203.05586	0.8
203.07646	0.7
207.03412	0.5
210.02602	0.4
210.07607	0.6
210.12538	0.4
212.13925	0.4
215.07555	0.5
219.01778	0.5
221.05052	1.0
224.09200	0.5
228.03613	0.4
233.01494	1.2
237.02679	0.3
238.10934	0.4
244.05702	0.3
245.05228	0.4
251.02441	2.5
256.03003	1.4
256.08179	0.4
256.09048	0.6
256.11649	4.6
257.05267	0.4
257.11212	0.4
259.06686	0.4
274.04132	0.7
279.09167	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02240	0.3
51.29185	0.3
52.74457	0.3
55.01868	2.6
57.03433	5.0
61.02920	1.3
69.03415	2.7
70.31216	1.4
70.31617	0.6
71.01339	1.2
72.92403	0.3
73.02898	3.0
80.05000	1.7
85.02893	3.8
87.04450	0.7
96.04482	1.0
97.02855	1.9
100.32029	0.4
100.34012	0.3
103.03929	0.5
106.02909	0.4
110.07146	0.7
114.05539	0.7
115.03918	1.9
119.01913	0.6
123.05525	4.5
124.03932	100.0
125.04296	0.7
131.01802	0.3
133.04938	3.8
134.06013	1.4
143.01909	0.5
150.05522	0.4
153.05766	0.7
155.08142	0.8
162.05522	0.6
166.04941	0.5
166.08600	1.0
178.08640	1.8
182.51436	0.4
193.07304	0.7
194.08096	0.4
206.08151	1.6
208.09660	0.8
210.07587	4.5
210.12317	0.8
212.09216	0.7
224.09140	1.2
256.11737	18.8
257.05090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97078	4.0
55.05506	20.5
57.03431	49.3
57.07048	6.4
67.05493	76.3
68.83269	3.9
69.07043	20.3
71.01321	4.4
71.04971	8.5
79.05484	65.5
81.03391	8.9
81.07041	43.6
82.20659	4.2
83.04954	15.0
83.08601	8.9
85.06526	9.2
88.41201	4.4
91.05457	27.3
93.07029	66.7
95.04942	8.5
95.08568	16.4
97.06518	27.7
97.10135	19.9
98.98454	31.0
105.07013	7.0
107.08580	51.9
109.10136	11.8
116.99382	4.3
121.10110	10.3
133.10092	9.1
135.11673	100.0
145.10086	21.5
163.11150	13.2
181.12238	23.7
255.15639	34.1
255.21112	7.6
256.26260	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	255.1587
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03922	5.5
55.01847	4.0
55.05502	32.8
55.72821	1.5
57.03429	53.3
57.07074	7.6
65.03915	3.0
66.80527	1.5
67.05496	96.3
69.03388	2.6
69.07062	29.4
69.54655	3.9
69.55061	10.1
71.01335	6.4
71.04988	8.3
78.53579	1.8
79.05485	79.3
81.03416	11.9
81.07043	47.6
83.04968	27.2
83.08601	11.5
85.02878	2.4
85.06522	8.3
90.72716	1.9
91.04935	2.4
91.05468	33.1
93.07032	89.9
95.04940	8.7
95.08593	17.9
97.06514	22.1
97.10150	16.3
98.21374	3.6
98.98454	20.0
99.08079	4.0
100.98820	2.2
103.58609	1.6
105.06992	9.0
107.04900	3.2
107.08578	57.0
109.06534	2.2
109.10153	14.1
111.08025	4.5
111.11665	2.3
117.07027	9.8
119.08566	10.9
121.06521	3.5
121.10140	17.0
125.09567	6.0
131.08429	3.1
133.10068	6.6
135.11674	100.0
136.12018	2.0
137.09578	2.2
139.05348	2.4
145.10114	19.9
149.13228	1.9
153.12694	2.8
157.45164	2.0
163.11153	11.3
171.11710	2.1
181.12184	14.9
255.06464	5.3
255.15813	57.9
255.21140	2.2
256.16241	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.4
55.01865	4.2
55.05502	33.8
57.03158	3.2
57.03429	59.4
57.07063	7.8
65.03923	1.9
67.05495	97.8
69.03417	2.5
69.07054	32.0
71.00235	1.7
71.01328	4.1
71.04980	9.6
71.24819	4.2
73.02913	1.7
79.05482	86.4
79.12735	1.7
81.03403	13.1
81.07043	45.1
83.04971	29.3
83.08608	6.9
85.06537	8.5
89.72957	1.7
91.05463	35.5
93.07030	99.8
94.39707	1.8
95.04945	12.2
95.08591	17.6
97.06512	25.0
97.10151	24.4
98.98457	33.0
99.08101	5.3
105.04475	1.9
105.07032	8.6
107.04940	4.3
107.08578	60.3
109.06501	3.0
109.10115	11.2
111.08075	4.4
116.06278	1.9
117.07016	7.8
119.08586	14.1
121.06524	4.4
121.10124	16.0
125.09612	6.3
128.06218	2.2
129.07047	2.7
130.07837	1.8
131.08502	1.9
133.10098	5.2
134.10463	2.0
135.08086	3.8
135.11671	100.0
137.09599	7.6
143.08548	4.9
145.10107	20.5
153.12726	2.5
156.09285	2.8
157.10117	5.0
159.08006	2.7
159.11746	2.7
163.11128	10.4
165.07024	1.6
169.10156	2.4
171.11673	3.5
179.08574	1.9
181.10764	2.4
181.12219	15.3
182.10899	1.6
183.11708	1.8
185.13344	3.0
197.13266	2.6
205.28064	2.0
209.13277	2.0
211.14699	2.3
213.16434	2.4
255.06499	6.3
255.11371	3.5
255.13258	3.6
255.13759	2.1
255.15752	46.9
255.20979	8.9
277.93289	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1951
Annotation	Yingzhaosu B
Peak:m/z	Relative Intensity
53.00309	1.3
53.03936	4.1
55.01864	5.9
55.05502	38.3
57.03423	4.8
57.07064	7.0
57.15092	1.3
59.04982	6.3
65.03930	2.2
67.05496	33.9
69.03406	4.6
69.07057	100.0
71.04992	10.2
71.08625	2.5
71.70796	2.3
73.06535	2.1
79.05488	19.9
81.03419	3.5
81.07043	58.9
82.07333	1.4
83.04970	12.1
83.08608	26.1
85.02869	1.6
85.06518	10.4
85.10161	1.8
91.05460	11.1
93.06437	1.5
93.07032	31.4
94.02929	1.9
95.04949	4.4
95.08593	44.9
95.09199	2.1
96.08945	1.3
97.06516	22.5
97.10162	10.8
98.98449	22.2
99.08070	4.9
101.05975	2.9
105.07014	14.3
106.00803	1.1
107.04945	1.2
107.08585	29.7
109.06507	3.5
109.10140	32.1
111.04448	3.2
111.08063	10.2
111.11705	25.9
112.12066	1.5
113.06001	1.5
113.09643	1.6
117.07027	3.5
119.08540	11.1
121.10126	23.0
123.08051	4.9
123.11695	7.7
125.05975	3.3
125.09605	4.0
127.07529	1.4
128.06221	1.8
131.08521	4.1
133.10091	8.4
135.08058	3.0
135.11662	20.5
136.11981	1.3
137.09654	2.5
137.13223	4.0
139.07631	1.3
139.11147	11.7
141.09096	1.7
143.08560	2.8
145.10097	9.6
147.11687	4.4
149.09584	2.6
149.13231	19.5
151.11108	2.4
153.06934	2.6
153.12740	3.2
155.08502	1.3
157.10097	3.7
159.11697	7.8
161.13210	6.2
163.11096	4.5
163.14792	3.5
167.08580	2.3
167.14297	5.3
169.10115	1.7
171.11603	2.3
173.13249	2.8
175.14830	1.8
177.16362	2.4
181.06335	2.1
181.07693	2.4
181.10216	1.3
181.12134	2.3
183.11594	2.1
189.16367	4.0
191.17921	3.4
193.10249	1.5
195.11633	2.4
197.07121	1.2
197.13257	1.9
199.07462	1.5
199.14813	1.7
201.16362	6.3
207.17461	1.9
209.09714	2.1
209.13330	2.3
211.08766	2.0
213.16371	2.0
219.17401	6.3
219.21040	1.9
227.08376	6.4
227.11896	1.8
237.14659	1.9
237.18452	6.5
237.22142	4.4
255.06659	10.9
255.11032	5.6
255.13651	2.4
255.17293	5.7
255.19565	3.6
255.23328	11.7
256.17432	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.03
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97090	0.4
53.03944	0.8
55.01866	4.6
55.05497	0.5
56.96550	1.2
57.03427	9.5
57.07056	0.6
58.99855	4.2
59.05009	1.1
61.02917	7.2
66.13090	0.4
67.05490	0.4
69.03423	9.1
70.03740	0.6
71.01357	2.1
71.04984	1.1
71.12351	1.0
71.12679	0.4
73.02908	10.6
74.03247	0.7
77.00902	3.2
78.00974	0.5
78.15258	0.5
80.05011	2.0
81.03413	2.4
82.01438	1.3
83.04991	0.5
83.06084	1.0
83.08581	0.4
85.02897	13.0
85.06528	0.4
86.03226	0.5
86.06056	0.6
86.99290	0.5
87.00810	0.7
87.04464	2.4
91.03943	1.7
95.01930	1.4
95.06070	0.4
96.04483	1.3
97.01409	0.7
97.02879	14.0
97.10126	0.4
98.03239	1.4
98.97620	0.6
98.98418	0.5
99.02956	1.2
99.04459	1.3
100.02473	8.9
100.31136	0.4
101.00864	3.6
101.02367	1.6
101.05952	0.4
102.02397	0.5
103.00666	0.4
103.02426	3.4
103.03938	0.6
106.06554	0.8
109.02860	2.1
110.07146	0.9
111.02940	1.0
113.00887	0.9
113.02362	0.6
113.55448	0.4
114.05541	2.0
115.02419	10.1
115.03893	3.4
117.03980	14.6
117.04794	1.0
118.03499	6.5
119.01904	18.7
120.02014	1.9
121.01614	1.0
121.03461	2.1
122.05984	0.7
123.02882	0.6
123.05534	3.0
124.03938	100.0
125.04282	0.8
127.02402	1.5
127.03907	3.0
127.04967	0.9
127.08670	0.7
129.01837	1.4
129.03946	0.9
130.03719	0.7
131.01907	5.3
131.05548	1.0
132.01973	0.8
132.03427	1.2
133.01692	0.8
133.03450	10.4
133.04942	3.4
134.03618	0.5
134.05997	2.4
135.05019	16.3
137.02939	7.0
139.04201	0.5
140.05554	5.1
142.03484	1.6
143.01880	7.3
144.01930	0.9
144.99803	1.4
145.01614	0.7
145.03432	11.2
145.04646	0.7
145.99933	1.6
146.03033	0.6
146.03627	0.6
146.48503	0.4
146.99591	1.2
147.01375	1.9
147.03072	0.6
147.05028	1.0
147.54044	0.7
148.03818	0.6
149.02919	1.3
149.06598	0.9
150.04031	0.4
150.05443	0.7
151.04562	0.7
152.07053	1.2
153.03964	0.7
153.05661	1.0
153.54074	0.8
154.04745	0.9
155.01845	2.0
155.08134	4.0
156.01985	1.2
156.04942	0.5
157.01416	1.3
157.03416	3.4
158.03647	1.0
158.06621	5.9
159.01395	0.7
159.04932	0.6
160.04697	2.2
161.02960	9.0
161.04294	0.7
161.05496	1.4
161.06638	0.6
162.03203	1.4
162.05482	0.7
163.02924	0.6
163.04466	5.8
164.07112	0.7
165.02431	1.4
166.03467	2.1
166.04796	0.5
166.08609	2.7
167.01881	0.6
168.05084	4.9
168.06502	0.6
169.03569	0.5
169.05258	2.4
170.02969	0.8
170.06165	0.6
171.01385	5.5
171.05048	0.6
172.99287	0.5
173.02956	4.0
174.03131	1.4
174.54660	1.2
175.02765	0.9
175.04506	2.2
177.02388	1.2
178.02539	0.6
178.08615	2.5
179.02321	0.5
179.03918	1.0
181.08304	0.7
183.05035	0.9
183.55157	1.0
184.04523	10.2
184.06024	0.6
185.02939	2.3
185.04469	0.6
186.03114	1.3
186.06102	1.5
187.00844	1.7
187.02727	1.0
187.04512	1.1
189.02438	8.3
189.03975	1.6
189.05890	0.4
190.02609	0.6
191.00334	0.9
191.03979	0.5
192.05440	0.9
193.07330	0.7
194.02957	1.6
194.08138	0.9
195.05887	0.4
196.00891	0.6
196.09529	0.5
197.02977	1.0
201.06041	0.9
203.03952	1.7
203.05602	0.8
204.04117	1.0
205.01871	1.6
205.03700	0.7
205.05710	0.6
206.08054	1.3
207.03455	4.6
208.09665	0.8
210.02423	4.3
210.07573	4.4
210.12434	1.1
212.04001	6.6
212.09235	0.5
213.02396	0.5
213.06198	0.6
214.02109	0.6
215.00288	2.2
215.04065	1.0
216.04054	0.9
221.05110	1.4
222.05371	0.8
224.09140	1.6
227.04016	0.7
228.03882	1.0
229.01978	0.7
230.05087	3.4
233.01416	11.9
233.04927	0.7
235.05304	0.6
238.02029	0.9
238.10693	0.7
244.05203	0.7
245.05084	2.6
246.05296	1.9
247.02663	0.6
247.04926	0.9
251.02475	24.8
252.02588	0.8
256.03000	23.7
256.11713	21.1
256.26331	1.9
264.06012	0.5
274.04031	13.3
279.04449	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1588
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03928	5.9
55.01842	3.8
55.05503	29.9
57.03429	54.8
57.07047	4.1
64.12036	1.6
65.03918	2.9
67.05496	91.2
69.06702	1.8
69.07056	27.8
70.37069	6.1
71.01318	4.2
71.04986	7.8
79.05482	82.7
81.03420	12.0
81.07046	43.3
83.04973	25.2
83.08616	6.9
85.06534	7.3
91.05468	33.9
92.96902	1.4
93.07034	89.3
95.04951	11.1
95.08595	11.8
97.06508	22.5
97.10149	15.3
98.98452	7.6
99.04404	3.1
99.08070	3.6
105.07014	7.0
107.04916	4.0
107.08578	60.8
109.06503	3.5
109.10141	9.1
111.08070	4.2
117.07027	8.6
119.08551	11.7
121.06467	3.1
121.10123	12.5
125.09582	4.5
130.07739	2.2
133.10109	4.9
135.08014	2.2
135.11679	100.0
136.11996	1.4
137.09560	2.6
143.08516	2.3
145.10109	18.8
153.12732	3.4
163.11151	14.4
178.87291	1.6
181.12222	14.5
233.93210	1.4
255.15848	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1587
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
53.03936	1.5
55.01866	2.3
55.05500	10.4
57.03416	2.5
57.07057	2.0
63.15705	0.8
65.03921	1.2
67.05494	20.7
68.05008	1.1
69.03416	1.8
69.07048	6.3
71.04984	6.2
71.08608	1.4
71.69700	1.1
72.08157	1.0
79.05479	6.5
81.03400	2.7
81.07043	23.9
83.04960	3.6
83.08594	2.5
85.02895	1.3
85.06525	2.2
85.64037	0.9
86.09682	2.3
91.05473	7.4
93.07027	14.2
95.04948	11.4
95.08591	100.0
96.04471	3.2
96.08942	1.1
97.02888	1.1
97.06524	7.4
97.10152	8.8
98.97532	1.0
98.97767	1.4
98.98446	22.2
99.04425	3.7
99.08080	1.1
103.05462	3.7
105.07015	5.8
107.04953	0.9
107.08576	4.3
109.06491	5.3
109.10151	2.7
111.04417	1.9
111.08052	1.5
113.05990	2.0
113.09571	1.5
115.05408	1.2
116.99460	1.3
117.07016	1.5
119.04909	2.5
119.08543	4.2
121.03963	1.6
121.06487	5.3
121.10095	4.6
123.04415	2.0
123.05544	1.0
123.08051	18.0
124.03905	1.1
125.05965	3.7
125.09600	1.6
127.03878	1.4
129.63536	0.8
131.04898	4.3
131.08511	3.1
131.84099	0.8
133.06393	1.0
133.10098	2.6
135.07982	2.1
135.11708	1.3
137.05937	3.1
137.09579	1.2
138.06694	1.3
139.04971	2.2
139.07449	1.0
141.05431	3.9
141.09027	1.3
143.07014	3.5
145.10112	2.0
147.07973	0.9
149.02357	0.9
149.05917	0.9
149.09546	1.1
149.13211	5.8
157.10107	1.6
159.06558	1.7
159.10277	1.8
159.11668	6.5
163.07545	2.2
163.11176	1.4
166.06241	2.2
167.07013	2.0
171.11562	0.9
173.13269	2.5
177.12726	10.6
179.07130	1.0
181.08560	2.7
191.14249	7.2
195.13779	3.5
197.53242	0.9
201.12700	2.1
213.14877	1.0
219.10004	1.1
219.13681	4.1
237.07468	1.2
237.14795	34.1
238.15186	1.3
255.06418	2.0
255.13379	1.6
255.15709	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	255.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42348	0.4
54.11987	0.4
55.01870	2.6
55.79335	0.4
56.96556	0.5
57.03425	4.7
59.04994	0.5
59.65047	0.4
60.46753	0.4
61.02907	1.8
63.95862	0.4
69.03410	2.5
69.96293	2.2
69.96698	0.7
71.01337	1.3
73.02907	3.5
78.03438	1.3
80.05008	3.3
81.03384	0.7
85.02899	3.9
87.04454	0.5
89.69053	0.4
96.04492	1.0
97.02898	2.5
98.97491	0.4
101.00835	0.4
103.03957	0.7
106.02895	5.9
110.07123	0.5
115.03918	1.9
119.01916	0.9
123.05534	100.0
123.25820	0.5
124.03937	7.0
124.05876	0.7
127.03905	0.6
131.01897	0.7
133.04964	2.4
140.21565	0.4
143.01859	1.0
145.03485	0.5
148.03922	0.7
155.01839	0.4
157.03494	0.5
161.02966	0.8
161.05521	0.5
166.04970	1.3
173.02966	0.8
183.04964	0.8
185.02972	1.0
204.19095	0.4
210.07550	0.5
223.46098	0.4
245.05099	0.6
250.44611	0.4
255.06055	0.5
255.09711	0.6
256.11722	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70561	2.1
53.03931	5.5
55.01867	4.8
55.05264	3.8
55.05503	35.5
57.03428	51.2
57.07059	10.1
59.88900	2.3
67.05495	92.2
69.03423	2.4
69.07053	28.9
70.75700	3.7
70.76069	7.7
71.01334	6.1
71.04981	8.3
72.88456	2.4
79.05483	80.1
81.03405	9.3
81.07047	44.4
83.04971	27.1
83.08611	10.1
85.06534	8.8
91.05461	39.7
93.07032	88.7
95.04973	11.9
95.08597	19.3
97.06504	24.1
97.10149	16.7
98.98454	41.8
99.08089	4.8
105.07021	8.5
107.04955	4.5
107.08572	58.7
107.09240	4.4
109.06485	2.2
109.10141	12.7
111.08077	4.0
117.06989	10.1
119.08556	14.7
121.06520	3.5
121.10118	12.9
125.09623	3.9
133.10126	8.4
135.08052	3.1
135.10631	5.0
135.11673	100.0
137.09616	4.7
143.08510	4.4
145.10106	19.5
153.12712	5.7
159.11717	2.5
163.11162	16.6
181.08688	2.8
181.12215	16.9
192.35974	2.5
197.13361	2.7
199.15009	2.6
255.13483	2.4
255.15744	52.9
255.20709	3.4
256.26303	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	255.1587
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03923	4.5
55.01842	4.8
55.05509	29.7
56.99062	1.6
57.03428	49.8
57.07038	6.4
65.03889	3.1
67.05497	93.8
69.07060	29.8
71.01318	7.6
71.04951	7.3
71.71301	2.6
79.05486	82.9
81.03408	10.1
81.07045	44.8
83.04527	2.6
83.04974	32.1
83.08630	8.2
85.06523	3.9
91.05465	34.9
93.07035	88.1
95.04949	12.2
95.08597	15.8
97.06522	19.7
97.09691	1.4
97.10152	17.7
98.98447	27.6
99.04434	2.2
99.08073	3.8
105.07011	10.6
107.04921	4.1
107.08581	60.4
109.06478	2.2
109.10155	13.7
111.08064	4.1
111.11696	1.9
117.07003	8.7
119.08562	9.4
121.06462	3.3
121.10134	12.7
125.09587	5.5
129.06940	2.0
133.10085	6.7
135.08028	3.5
135.11681	100.0
137.09538	6.0
138.56461	1.6
139.07518	4.3
143.08495	4.1
145.10104	18.9
149.13182	3.4
151.14771	1.9
153.12663	4.6
157.10040	2.8
159.11694	1.9
161.09586	1.9
163.11147	15.5
171.11671	1.8
181.12190	13.7
185.13106	2.1
195.11960	2.3
195.13707	12.3
197.13216	2.1
243.25099	1.7
245.73378	1.5
255.06502	2.4
255.15788	55.8
255.20946	5.4
256.16025	2.0
259.44849	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	6.3
55.01849	3.3
55.05503	32.2
57.03162	3.1
57.03427	53.1
57.07041	5.4
58.44530	2.0
65.03925	3.3
67.05493	90.6
69.07056	28.5
69.53532	17.5
71.01336	5.1
71.04977	11.4
79.05019	3.9
79.05481	81.2
81.03400	13.4
81.07041	41.2
83.04971	29.2
83.08607	8.0
85.06509	5.1
91.05458	35.1
93.07027	84.8
95.04942	13.4
95.08587	14.2
97.06523	24.7
97.10138	16.9
98.19806	1.8
98.20679	2.5
98.98460	12.2
99.08070	3.3
105.07018	7.5
107.04921	3.8
107.08578	56.5
107.09317	2.8
109.10145	10.6
111.08085	4.7
117.06992	8.4
119.08575	10.0
121.06460	4.5
121.10098	13.5
125.09628	3.7
133.10081	5.1
135.08098	3.4
135.11673	100.0
137.09642	3.3
143.08479	2.5
145.10104	22.9
153.12749	3.3
163.11142	15.0
181.12210	15.2
199.90746	1.8
202.77492	1.8
214.30487	2.1
215.00583	2.0
255.15849	52.1
255.18419	3.0
256.26361	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	254.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
56.96550	4.5
60.08157	86.0
65.03938	5.9
67.05492	2.6
68.37319	1.4
69.03422	3.3
70.06583	3.8
72.08132	1.7
72.80560	1.6
79.05463	4.0
81.03416	2.6
81.07053	2.1
84.04493	1.9
84.84176	1.5
85.02881	2.7
91.05453	7.5
93.03387	13.2
93.06992	2.6
95.04954	3.4
97.02877	2.2
98.06058	1.7
98.97577	3.5
98.98456	38.3
103.05443	3.7
106.06516	2.2
107.04935	3.6
109.06437	1.7
110.03672	2.1
110.07181	4.0
111.04425	31.3
116.98638	2.8
116.99487	2.0
119.04920	6.3
120.08128	1.8
121.06492	4.9
123.05605	2.7
123.06663	4.4
125.05978	38.6
128.98570	2.0
134.06006	4.2
134.99612	1.8
135.04422	3.3
136.06149	8.5
138.07732	1.5
149.05960	87.9
151.07579	3.0
153.05446	100.0
167.07056	2.0
177.05508	6.3
190.08669	1.7
195.06520	66.5
195.11278	5.1
208.09717	2.0
236.09169	2.1
254.10321	10.0
254.13837	37.2
254.16153	3.1
255.08463	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	255.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
55.01877	4.0
55.05500	3.9
56.96558	34.7
57.03424	6.7
57.07050	1.4
58.06601	1.4
58.99841	0.8
59.04984	1.2
60.04509	1.2
61.02918	4.9
63.42197	0.8
65.03929	2.0
67.05501	5.0
69.03424	10.7
69.07051	1.0
70.06596	2.5
70.98116	4.6
71.01337	3.3
71.04981	2.9
71.08649	0.9
71.69801	0.7
71.70218	1.2
71.95271	1.1
72.08141	0.9
72.93819	0.9
73.02919	6.7
74.97593	1.1
78.03428	0.9
79.05483	5.1
80.05010	3.0
81.03404	11.4
81.07044	5.4
83.04984	5.6
83.06077	0.9
84.04503	1.8
84.08139	2.3
84.96037	5.9
85.02890	11.1
85.06524	0.8
86.09689	1.4
86.99323	0.8
87.04432	1.7
88.99155	2.5
91.05441	9.4
92.98651	0.9
93.07035	1.1
95.04954	6.5
95.08582	1.0
96.04471	1.9
97.02876	8.1
97.06507	0.9
98.97578	8.2
98.98454	17.5
99.04446	1.6
100.98864	0.9
101.00824	1.5
102.01552	1.2
102.97015	0.9
103.02378	1.7
105.00347	1.6
105.07056	1.3
106.02885	6.1
107.00171	1.8
107.04943	2.6
107.08620	1.5
108.01477	1.1
108.04497	0.9
109.02876	2.7
109.06501	2.8
110.06039	1.1
110.07139	3.3
110.97576	3.3
111.04442	6.9
112.07624	1.1
113.00893	0.9
115.02387	2.7
115.03910	2.4
116.98613	7.7
117.01862	2.9
118.01082	1.3
118.03544	0.8
119.01911	9.2
119.04887	4.3
120.98022	0.8
121.01651	1.9
121.06444	1.5
123.04493	4.4
123.05536	100.0
124.03941	2.0
124.05843	1.5
125.05995	1.0
126.00676	1.0
127.03886	2.3
127.05083	0.8
128.87325	0.8
128.98581	9.3
129.02040	2.3
129.05508	1.1
131.00172	1.0
131.01903	5.5
131.04909	0.8
132.01982	1.0
133.01628	2.1
133.03441	3.3
133.04959	3.1
134.06041	1.1
134.99634	5.4
135.04396	3.0
136.02826	1.2
136.04771	0.8
137.02966	3.3
137.05994	4.1
138.02589	1.5
139.02472	1.2
139.03903	2.1
139.07530	1.0
142.03519	0.9
143.00140	1.3
143.01883	2.6
145.01633	1.1
145.03438	3.7
146.02394	0.8
146.99634	10.0
147.01360	1.6
147.03194	1.4
147.04222	1.4
148.03912	2.4
149.02950	1.5
151.01376	0.8
152.07054	3.0
153.04050	0.8
153.05530	1.4
154.00238	1.5
154.03799	0.9
155.00122	1.5
155.01846	1.1
156.07637	1.6
157.03421	2.8
158.99632	4.3
159.03056	1.2
159.04988	1.7
161.01175	2.6
161.02956	3.9
161.04472	0.7
163.02693	0.9
163.04433	1.9
165.00752	3.2
165.04242	0.9
165.05453	3.6
166.02063	1.0
166.04980	2.2
167.00125	0.9
167.06993	1.1
169.01662	0.9
169.03459	2.7
170.99655	2.1
171.01370	2.5
171.05048	1.4
172.97539	1.6
173.01155	2.3
173.02933	2.9
174.03416	1.2
174.99100	6.3
175.00528	0.9
175.02628	1.4
175.04402	1.3
177.00703	6.6
177.02187	1.2
177.03897	1.0
179.02554	1.1
180.82657	0.8
181.01683	0.8
181.03532	1.6
183.05035	2.8
185.01341	1.5
185.02936	4.8
185.04492	1.0
187.02795	1.6
187.04506	2.5
188.03333	0.9
189.00674	2.3
189.02383	1.7
190.98616	9.0
191.02226	2.4
191.03912	1.0
193.00203	3.4
194.03255	1.0
195.01559	2.0
195.05028	3.8
195.06689	1.1
196.01266	2.5
197.01141	1.0
199.02748	2.0
199.04466	1.9
201.00664	1.3
201.04189	1.2
201.06090	1.0
203.02213	1.2
203.03885	1.6
205.00130	1.8
205.01830	1.8
205.03653	1.3
206.98108	0.9
207.01724	1.4
208.99615	2.2
209.02933	1.2
211.02704	1.4
211.04411	1.6
213.00635	2.2
213.02429	3.8
213.04262	1.8
213.06038	1.3
215.03940	1.0
218.98141	2.6
219.01653	1.2
219.05237	1.0
219.55936	1.0
221.05096	1.5
223.01181	1.0
223.04523	2.4
227.02209	2.7
227.04047	1.1
237.02733	2.2
237.05704	0.9
239.04657	0.9
243.05400	1.2
243.55196	0.9
245.05238	0.9
247.01082	1.2
255.01526	1.0
255.08368	3.5
255.13593	4.0
255.17079	1.1
255.58044	1.0
256.03055	1.2
256.11932	2.3
263.00919	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2159
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
51.02359	1.0
53.03925	3.7
54.34721	1.1
55.01854	4.9
55.05505	28.8
55.41571	1.2
56.05825	1.1
57.03431	7.1
57.07072	9.2
59.04990	2.3
65.03919	2.6
67.05495	73.5
67.82956	1.0
69.03428	5.7
69.03739	1.1
69.07057	61.0
71.04606	1.4
71.04979	15.2
71.08613	2.2
71.70277	1.5
79.05483	44.6
81.03410	2.1
81.07045	74.9
83.04978	9.9
83.08171	1.5
83.08611	17.5
83.29803	1.0
85.02880	2.4
85.06530	11.8
87.04438	1.4
91.05467	23.3
92.83302	1.1
93.07031	52.6
94.07377	1.7
95.04959	9.9
95.08593	73.6
96.08885	1.8
97.02848	1.6
97.06518	15.7
97.10152	12.7
98.98455	100.0
99.04461	1.2
99.08073	5.2
100.98883	1.5
101.06033	1.2
105.07011	23.6
107.04942	1.7
107.08575	25.6
109.02832	2.0
109.06496	6.7
109.10144	29.5
111.08090	10.1
111.11720	1.9
112.08428	1.1
113.05903	1.4
113.09653	1.7
115.03925	1.1
116.98621	1.9
116.99473	2.8
117.06979	2.3
119.04894	1.3
119.08580	15.0
121.06475	2.3
121.10125	52.8
123.04392	1.3
123.08044	7.5
123.11695	11.5
125.09645	7.0
127.07574	1.6
127.11172	1.9
129.06992	1.9
131.08527	4.3
133.10118	17.8
135.08023	2.4
135.11671	32.4
137.05853	1.8
137.09624	5.2
137.13211	2.1
137.91510	1.1
139.07529	2.2
139.11171	6.8
141.05414	1.7
143.08560	2.8
145.10081	3.9
147.11655	15.0
149.09590	3.7
149.13229	7.7
151.11191	4.7
153.12740	1.6
157.10098	2.4
159.11644	3.0
161.13246	10.1
163.11163	1.1
165.12737	3.0
167.10684	3.1
169.07669	1.6
169.10016	1.2
170.06009	3.8
171.11661	1.5
175.11137	2.3
175.14769	4.0
176.98923	2.9
177.12730	2.0
178.07574	1.3
179.10590	1.4
187.07959	2.1
189.16406	2.7
193.12282	1.6
197.07127	1.6
197.11687	2.5
198.05515	2.4
217.12320	2.1
217.15889	2.9
217.19458	10.6
223.20656	1.2
225.06575	6.0
225.08669	1.5
235.13245	2.9
235.17004	6.4
235.20551	14.3
253.05942	5.6
253.08662	4.9
253.12201	1.6
253.14374	2.8
253.19551	2.0
253.21600	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2157
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
53.03936	2.2
55.01856	3.2
55.05501	24.9
55.71644	0.8
57.03428	4.4
57.07061	7.6
59.04969	0.8
65.03923	2.4
67.05492	71.8
69.03414	3.0
69.07057	34.4
70.67831	3.0
71.04978	8.8
71.08604	3.3
79.05479	30.2
81.03392	1.8
81.07041	100.0
82.07369	1.7
83.04966	6.5
83.08607	18.1
84.18320	0.7
85.06528	12.1
85.10175	0.7
87.04445	1.1
87.97012	0.8
91.05456	16.7
93.07029	28.9
95.04959	8.3
95.08586	42.0
97.02876	1.6
97.05957	1.0
97.06518	14.2
97.10156	4.7
98.98450	35.5
99.04390	1.2
99.08076	3.5
105.07016	12.9
106.07299	0.8
107.04938	1.5
107.07912	1.4
107.08577	17.9
109.06499	8.0
109.10142	17.5
110.10573	1.0
111.04427	1.1
111.08059	5.5
111.11694	2.0
113.06004	4.0
113.09598	1.5
117.06987	1.1
119.08563	14.8
121.06473	8.8
121.10110	15.0
123.08050	4.7
123.11694	7.4
125.05979	1.4
125.09599	2.2
127.07525	4.7
129.06989	1.6
131.08530	2.5
133.10112	11.2
135.08015	1.4
135.11667	13.9
137.09567	3.0
137.13229	3.1
139.07506	2.8
143.08501	1.6
145.08536	1.9
145.10074	2.0
147.11635	9.3
149.13226	9.3
151.11157	2.1
151.14714	0.9
153.12720	3.1
156.09239	1.1
157.10086	2.1
159.11681	1.6
161.09706	1.8
161.13239	6.8
163.11156	2.1
165.12717	1.5
167.10654	1.1
167.14270	1.3
171.11713	3.9
173.09819	0.8
173.13358	0.8
175.11102	2.7
175.14822	2.9
179.14258	0.8
182.10583	0.8
189.12692	2.8
189.16267	1.0
193.12146	1.9
194.15779	0.8
199.11151	3.9
199.14690	0.8
207.13759	2.5
217.12190	10.7
217.15872	1.2
217.19502	8.5
235.13257	7.7
235.16858	2.4
235.20534	6.2
253.14217	5.4
253.18086	1.5
253.21544	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	253.216
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
50.29621	1.3
53.03930	2.9
55.01857	6.2
55.05240	2.0
55.05506	38.4
57.03422	7.1
57.07071	10.8
59.04996	2.5
65.03919	1.7
67.05496	100.0
67.77381	1.4
68.05802	1.5
69.03423	3.3
69.07061	64.9
71.04985	14.6
71.08622	4.1
71.70374	1.4
79.05483	45.3
81.03397	1.5
81.07044	97.5
82.07386	2.4
83.04974	7.2
83.08609	27.2
85.06530	16.1
85.21571	1.3
91.05465	26.6
93.07034	53.4
95.04958	10.7
95.08593	83.5
97.06522	16.6
97.10154	17.1
98.98457	79.1
99.04444	1.7
99.08079	4.3
101.06014	2.5
105.07021	23.6
107.04942	2.3
107.08578	28.0
109.06505	4.9
109.09402	2.3
109.10143	36.2
110.10477	1.8
111.08074	10.7
111.11711	4.4
112.68636	1.4
113.05974	2.4
115.07563	1.4
116.99481	1.8
117.07011	1.7
119.08553	15.0
120.62092	1.2
121.06488	7.4
121.10128	53.9
121.51167	1.4
123.08012	3.8
123.11682	11.4
125.09628	4.6
127.07549	2.6
127.11160	1.5
131.08527	2.3
133.10124	21.0
135.08000	2.7
135.11682	34.2
137.09613	4.6
137.13246	3.3
139.11171	5.4
141.05478	2.0
143.08527	1.7
145.10141	1.8
147.11655	15.9
149.13237	11.2
151.11154	4.7
151.14798	1.4
155.08513	2.4
157.10091	3.4
159.11655	1.4
161.09634	1.8
161.13261	11.3
163.14864	2.6
165.06947	2.5
165.12743	2.0
169.10136	1.4
171.11697	2.3
173.13190	1.5
174.99211	1.5
175.11206	1.9
175.14827	4.5
179.08458	1.6
183.11618	2.1
189.12741	3.1
189.16396	2.6
193.12216	1.9
197.11635	2.2
199.11180	3.3
207.07941	1.8
207.13779	2.3
217.12288	7.0
217.19492	15.3
235.13277	6.2
235.16795	2.2
235.20573	13.6
253.04903	3.0
253.08583	6.3
253.11964	2.0
253.14159	11.8
253.19574	2.7
253.21613	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2158
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
51.42326	1.1
53.03928	3.1
53.88625	1.0
55.01865	6.4
55.02085	0.8
55.05503	29.5
57.03418	7.4
57.07064	7.7
57.09725	1.0
59.04975	1.6
65.03915	2.2
67.05492	67.2
67.92805	1.1
69.03412	5.7
69.06689	2.2
69.07054	42.1
69.61454	10.0
71.04973	17.7
71.08598	2.6
73.16315	0.9
79.05479	37.8
81.03407	2.4
81.07040	96.2
82.07349	1.6
82.46236	1.1
83.04973	6.5
83.08601	19.5
85.02876	1.3
85.06521	9.7
91.05463	30.0
91.06036	1.5
93.06429	1.5
93.07030	40.4
95.04960	6.2
95.08588	100.0
97.02875	2.8
97.06519	15.0
97.10143	11.9
98.20739	2.0
98.98449	92.1
99.04432	2.0
99.08058	3.8
101.05979	3.2
105.07017	21.8
107.04926	1.8
107.08571	28.3
109.06513	6.2
109.10142	39.7
111.04404	1.2
111.08043	6.8
111.11689	3.2
113.06015	1.4
113.09637	2.7
116.99505	2.7
117.06982	2.4
119.08555	17.0
121.06488	5.9
121.10120	36.8
123.04338	1.4
123.08051	6.4
123.11689	14.1
125.09579	5.9
127.07574	2.0
127.11134	5.9
128.06152	1.5
129.06944	1.7
131.08527	3.7
133.06438	2.0
133.10097	26.4
135.08028	2.1
135.11668	32.3
136.89528	1.1
137.05945	1.3
137.09573	3.3
137.13187	3.5
139.07565	1.8
139.11131	3.5
141.05457	1.8
141.06947	1.5
141.09032	2.0
143.08504	1.5
145.10077	2.3
147.07976	2.1
147.11649	14.3
149.09662	1.5
149.13232	12.9
151.11142	12.9
151.14729	1.2
153.12700	2.3
155.08482	1.7
155.10638	2.1
156.91325	1.1
157.10123	1.3
159.10342	1.4
159.11662	3.1
161.09596	2.1
161.13248	7.7
163.14754	2.2
165.06909	1.3
165.12715	4.5
166.07693	1.4
167.10648	2.9
171.11646	1.8
173.13203	1.5
174.99193	1.6
175.11142	1.6
175.14819	5.7
177.16289	2.8
178.07796	1.5
179.08516	1.5
179.10712	2.0
183.11665	2.7
189.12692	2.1
189.16298	2.4
191.17822	1.6
193.12199	1.5
197.11583	2.4
199.11064	1.4
205.15848	1.2
205.19424	1.2
207.08083	1.8
207.13788	1.8
217.12204	3.0
217.15955	2.3
217.19458	16.6
235.13312	3.3
235.16878	3.3
235.20518	17.4
235.22705	2.0
240.82001	1.1
253.08498	4.7
253.14301	3.6
253.19449	3.6
253.21629	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1795
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03920	2.1
55.01853	2.9
55.05280	1.3
55.05500	10.7
57.03420	2.7
57.07057	5.2
57.98116	1.4
60.87083	1.3
62.43650	1.2
67.05177	1.9
67.05495	21.4
69.03419	12.8
69.07064	13.6
71.04984	33.7
71.59353	2.1
71.59678	1.8
75.48627	1.3
79.05486	13.4
79.78500	1.5
81.03397	2.7
81.07047	43.7
81.15643	1.5
83.04976	13.2
83.08598	5.2
85.02892	1.4
85.06527	4.2
90.08139	1.5
91.05474	8.3
93.07036	13.5
95.04950	4.3
95.08591	31.8
97.02818	1.8
97.06530	10.1
97.10113	2.8
98.98454	100.0
99.08096	2.1
105.07011	13.2
107.04919	2.4
107.08577	13.9
109.02854	1.8
109.06491	4.7
109.10139	17.3
111.08049	4.3
116.99458	3.3
117.07059	2.3
119.08562	9.3
121.06487	3.6
121.10119	13.0
123.04391	2.3
123.08042	5.9
123.11681	4.1
125.05943	2.0
125.09589	3.5
127.07541	2.0
127.10217	3.2
127.11171	66.0
131.08536	4.9
133.10085	8.6
135.08028	2.5
135.11647	5.7
137.09554	4.5
139.11118	4.1
145.10133	2.9
147.07938	1.9
147.11659	8.5
149.09586	7.6
149.13278	3.7
151.11147	4.1
155.08577	1.8
155.10651	27.1
157.10144	2.0
159.11606	4.2
161.09537	2.1
161.13222	2.9
165.06985	2.3
165.12674	2.8
166.21150	1.6
167.10657	21.6
169.10193	1.6
174.99173	2.0
175.11111	2.1
175.14787	1.9
179.10696	1.6
183.61238	1.4
189.16383	1.7
192.21074	1.6
197.11667	2.4
207.08133	3.7
217.12262	2.6
217.15799	1.9
217.19313	2.0
221.05856	1.8
225.08995	2.0
235.13022	1.7
235.16850	6.0
235.20491	2.4
253.08614	9.6
253.10843	1.7
253.14308	2.9
253.17577	8.0
253.21654	5.2
253.23987	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1794
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03934	1.4
55.01860	3.0
55.05507	7.8
55.49889	1.0
56.83513	1.1
57.03423	2.5
57.07067	4.0
59.04983	1.5
67.05495	17.4
68.05782	1.1
69.03418	11.0
69.07056	13.2
71.04980	30.1
71.70855	1.6
79.05486	12.3
81.03402	1.4
81.07046	42.3
83.04970	12.0
83.08606	4.7
85.02874	1.0
85.06509	2.9
85.22105	0.9
91.05453	8.3
93.07030	13.5
95.04941	4.5
95.08592	27.9
95.88107	1.3
97.02848	1.0
97.06514	8.1
97.10163	2.5
98.98454	100.0
99.08112	2.1
100.98830	1.1
105.07020	11.0
107.04943	1.8
107.08582	11.7
109.02866	1.3
109.06527	4.1
109.10139	20.4
111.08083	3.4
111.11720	1.2
116.99472	3.0
119.08566	7.8
119.79023	1.1
121.06487	3.0
121.10136	10.5
123.04420	1.8
123.08045	3.4
123.11702	3.9
125.09667	2.8
127.11179	61.4
127.89960	1.0
129.07004	1.8
131.08557	4.3
133.10118	9.1
135.07980	1.4
135.11639	5.9
137.09604	4.7
137.33875	1.1
139.11192	3.2
140.00977	1.0
141.05545	1.0
143.08545	1.9
145.10068	1.8
147.11668	7.0
149.08540	1.4
149.09576	6.7
149.13243	1.7
151.07527	1.5
151.11180	2.6
152.78526	1.1
155.10654	21.2
157.10114	2.4
159.11711	3.6
161.09676	1.4
161.13205	2.9
165.07065	1.3
165.12772	2.3
167.10643	17.8
169.10088	1.1
174.99232	1.1
175.11182	2.1
175.14790	1.8
176.98961	1.5
177.12810	1.1
179.08557	2.3
179.10544	1.3
189.12729	1.5
197.11736	2.1
207.08102	2.3
210.06691	1.4
217.12360	3.2
217.15797	2.0
217.19482	1.5
225.09114	1.4
235.13237	2.0
235.16893	5.2
235.20567	2.7
238.06023	1.2
253.05017	2.8
253.08714	8.5
253.12038	2.0
253.14229	1.8
253.17627	5.4
253.21582	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	253.1429
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03926	4.3
53.76979	1.5
54.77455	1.6
55.01854	6.4
55.05500	14.3
57.03414	3.0
57.07058	5.6
59.04979	2.4
65.03926	1.6
67.05491	39.4
69.03414	4.9
69.07053	19.8
69.65292	11.6
71.04976	13.9
75.62070	1.3
79.05474	31.8
81.03396	3.2
81.07038	79.2
83.04951	7.6
83.08613	9.8
85.06542	9.1
91.05459	23.8
93.07026	48.2
94.04253	1.4
95.04954	19.8
95.08589	36.0
97.02853	2.0
97.05931	2.1
97.06510	19.7
97.10148	2.1
98.98445	80.0
99.04459	6.7
99.08038	2.8
100.98870	1.4
101.06097	1.4
101.65592	1.2
103.44107	1.2
105.07017	33.6
107.04931	5.8
107.08570	32.4
109.02912	1.5
109.06497	35.5
109.10133	13.1
111.04373	2.3
111.08057	10.6
113.05978	8.3
115.05469	1.5
115.09852	1.3
116.99451	4.0
117.07017	3.9
119.04896	2.2
119.08559	26.4
121.06485	100.0
121.10107	11.4
123.04419	4.2
123.08075	8.2
123.11674	4.0
125.05966	5.9
125.09683	1.4
127.07523	12.5
128.06165	2.4
129.06978	5.7
131.08517	7.6
133.06445	4.3
133.10117	15.6
135.04398	6.2
135.08046	10.1
135.11646	6.4
137.05974	5.6
137.09581	3.0
137.13257	2.0
139.07521	19.0
140.00954	1.6
141.05446	3.5
142.07733	5.8
143.06966	2.5
143.08543	9.1
145.10057	8.2
147.07997	5.7
147.11655	29.8
147.12729	2.8
149.09587	2.9
149.13216	3.6
151.07513	2.1
151.11168	2.0
155.08492	2.2
156.09312	4.8
157.06406	1.6
157.08788	3.0
157.10114	14.5
158.07274	2.3
159.07954	1.8
159.11639	2.2
160.08871	1.8
161.05949	2.7
161.09619	3.4
161.13242	16.3
163.14832	2.8
165.06964	3.3
165.12732	6.1
166.07759	3.0
171.11679	17.8
173.09540	2.9
173.13249	2.6
175.11159	17.4
176.98926	1.7
177.05405	1.6
179.06859	1.6
179.08470	1.7
179.10672	2.0
181.10129	4.7
184.08833	2.4
189.12729	23.5
193.12196	18.5
199.11147	32.0
207.08015	2.1
207.13785	10.1
211.13406	2.0
217.12199	81.6
217.19351	1.6
224.35468	1.3
235.13252	32.6
235.16875	3.4
235.20518	4.1
252.59624	1.4
253.08456	4.9
253.14316	20.4
253.17998	3.0
253.21584	4.0
264.72510	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.143
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
51.51667	1.2
52.95481	1.1
53.03914	2.0
55.01868	11.0
55.05511	7.5
57.03421	4.2
57.07056	3.4
65.03923	1.3
67.05145	2.5
67.05493	39.7
67.77139	1.1
69.03406	3.8
69.07059	10.4
70.90875	1.1
71.04962	5.2
71.70982	1.3
79.05033	1.3
79.05476	16.1
81.03394	5.4
81.07043	35.1
83.04971	6.1
83.08608	2.7
85.06506	4.5
87.04444	1.2
91.05469	33.5
93.07030	11.9
95.04935	4.8
95.08607	6.7
97.02879	1.4
97.06551	2.7
98.98454	70.2
99.04398	2.2
99.08065	1.4
105.06339	1.7
105.07014	25.9
107.04873	1.6
107.08568	21.3
109.06488	3.4
109.09407	2.2
109.10141	39.6
113.05980	1.8
115.42275	1.1
116.99469	2.7
119.08552	3.2
120.30018	1.1
121.10115	1.3
123.11688	8.2
127.07502	2.9
133.10106	53.6
140.01036	1.9
151.11156	27.2
161.09641	1.8
169.12160	3.7
176.98932	1.5
197.11533	1.2
202.89810	1.1
215.12721	1.6
253.14305	100.0
254.01834	1.2
254.14601	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	253.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
53.87952	0.7
55.05506	4.8
56.96562	7.0
57.03420	2.4
57.07062	2.2
59.04989	1.0
61.02917	3.3
67.05487	3.1
69.03429	7.7
70.06585	2.2
70.29794	1.6
70.30204	2.4
71.01331	1.1
71.04974	2.7
73.02909	1.0
73.06550	13.7
78.82997	0.8
79.05481	1.6
81.03413	5.9
81.07066	2.3
81.99020	0.8
83.04965	0.9
83.08614	1.1
84.04472	0.8
84.08147	2.0
84.96028	1.6
85.02898	23.6
85.06545	1.3
91.03938	1.2
91.05466	3.0
93.07023	1.8
95.04945	2.7
95.08584	2.5
97.02874	6.8
98.06041	1.5
98.97591	6.3
98.98454	100.0
99.04416	1.5
100.98894	1.8
103.05437	1.9
105.07033	1.0
107.04920	1.4
109.02888	2.2
109.06481	1.0
109.10134	1.5
110.07156	1.5
110.43907	0.8
111.04426	2.0
111.54077	1.0
112.07607	1.0
116.98602	5.7
116.99497	3.7
119.04961	1.3
119.08583	0.8
120.08094	36.6
121.05091	5.6
121.06472	2.0
123.04449	2.2
125.05908	1.4
127.03903	4.5
128.98608	1.1
134.99655	2.6
137.05959	2.1
139.07399	1.0
141.05428	1.4
145.04929	3.8
146.99637	1.4
147.04355	1.0
149.05972	1.2
152.07021	0.8
155.04654	3.5
158.99655	2.9
161.01202	0.8
161.04675	1.5
164.05147	1.2
165.05539	1.0
166.55368	1.0
167.07031	1.1
174.99139	1.8
176.99092	1.5
177.00735	2.6
194.09193	2.2
195.11208	1.0
197.11684	2.5
219.01842	1.1
225.09714	0.8
237.02840	1.2
253.08578	1.3
253.12119	1.5
253.15848	2.2
254.16196	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1179
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
55.05500	0.8
57.07059	2.4
60.04515	31.0
63.00683	0.6
63.77459	0.5
67.05490	2.7
69.03411	1.5
69.07050	1.6
70.06589	1.4
70.82706	1.2
70.83038	1.2
71.04989	1.9
71.08622	0.6
72.08144	0.7
73.02907	0.8
75.04465	0.7
79.05480	2.3
81.03418	1.0
81.04525	1.7
81.07037	3.6
84.08125	1.0
85.02908	1.2
85.06522	0.7
86.09706	0.8
87.05566	1.2
91.05447	1.9
93.07034	2.1
95.04969	1.9
95.08601	1.9
97.02873	1.9
97.05556	0.5
97.10175	1.0
98.98452	100.0
99.04433	0.8
100.98885	1.1
103.03931	0.8
103.05453	2.7
104.10705	0.6
105.07014	2.2
107.04927	1.6
107.08566	1.0
109.02898	0.8
109.10120	1.0
110.07167	1.7
116.98745	0.7
116.99474	4.0
119.08586	1.1
120.08086	51.6
121.06510	1.5
121.08421	0.7
121.10084	0.7
122.07157	1.0
123.04444	0.8
124.08709	2.0
131.04924	2.4
133.06476	0.8
134.09644	0.7
141.05432	1.2
143.08514	0.5
144.08052	1.4
147.08032	0.7
149.05931	1.2
151.07532	1.1
159.02850	1.3
161.09639	0.8
162.09143	1.0
166.08615	29.5
169.01907	0.5
174.99118	1.3
176.99037	1.0
179.10643	0.8
190.69023	0.5
193.05179	0.5
197.11688	3.2
207.11270	7.7
219.04976	1.8
225.17131	1.9
235.10707	2.2
235.13185	0.8
253.08690	0.7
253.12009	3.7
253.16318	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	251.2002
Annotation	roughanic acid
Peak:m/z	Relative Intensity
50.17942	0.7
53.03947	0.9
55.01851	1.8
55.05504	9.7
57.03418	1.0
57.07066	1.7
59.04972	1.1
65.03921	2.3
67.05493	50.9
69.03397	0.8
69.07057	7.4
71.04966	1.3
71.44983	1.4
71.45329	1.0
79.05486	14.4
81.07043	50.6
83.04963	1.5
83.08604	9.0
85.06536	1.5
91.05469	7.3
93.07030	17.5
95.04959	1.6
95.08591	46.6
95.56973	0.7
97.06512	5.3
97.10136	3.8
98.98451	100.0
99.08067	0.9
104.02609	0.7
105.07021	4.6
107.08582	13.6
109.06507	0.9
109.10146	18.7
111.08054	4.3
116.99487	3.3
117.07037	1.1
119.08573	5.5
121.06480	1.0
121.10129	14.3
123.08058	1.6
123.11694	7.2
125.09592	1.1
131.08563	3.4
133.10097	9.5
135.08043	1.2
135.11671	9.1
137.09613	2.8
137.13264	1.3
140.01038	1.3
145.10115	3.4
147.11697	2.4
149.09560	1.0
149.13246	2.4
151.11168	3.7
159.11711	3.0
160.03592	0.8
160.46866	0.7
163.11124	1.7
173.13203	2.0
174.99268	3.1
177.12714	1.3
181.12241	1.6
191.17975	1.1
195.13815	2.2
197.89241	0.8
215.17920	8.0
228.94591	0.7
233.19011	5.8
251.12756	0.8
251.16356	3.2
251.17827	0.9
251.20044	15.7
273.25012	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2001
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03929	1.7
55.01867	5.0
55.05277	1.5
55.05502	15.8
57.03412	2.3
57.07045	4.2
59.04993	1.5
65.03909	2.6
67.05492	63.0
67.67755	1.1
68.10269	1.0
69.03417	2.4
69.07056	16.0
70.36657	4.3
71.04971	8.7
72.31605	0.9
79.05481	32.9
81.03414	1.3
81.07041	84.3
83.04948	4.7
83.08607	8.6
85.02838	1.1
85.06525	7.0
90.09607	1.1
91.04922	1.8
91.05463	23.6
93.06426	2.0
93.07024	50.0
95.04936	4.7
95.08587	71.8
96.08916	1.1
97.02816	1.2
97.06517	11.9
97.10152	5.1
98.20679	1.3
98.98447	100.0
99.04397	1.1
99.08064	2.7
105.07017	16.9
107.04932	2.3
107.08571	34.1
109.06495	5.2
109.09406	2.1
109.10136	36.7
111.08063	5.7
111.11654	1.7
113.05954	1.4
115.05432	1.6
116.99493	2.4
117.06985	6.5
119.08554	14.9
121.06490	7.0
121.10126	30.6
123.08044	5.4
123.11682	13.0
125.05924	1.4
125.09631	2.3
125.11491	1.2
129.09074	1.7
131.04881	1.3
131.08545	14.7
133.06502	1.8
133.10101	17.8
135.08040	11.0
135.11671	23.8
137.05937	1.5
137.09578	6.1
137.13210	4.2
139.07501	3.0
139.11168	2.8
143.08508	1.8
145.10081	15.4
147.08044	1.7
147.11633	8.6
149.09579	8.3
149.13219	8.1
151.03889	1.4
151.11159	5.8
153.09052	3.8
157.10081	1.5
159.08009	1.4
159.11667	8.8
161.05954	2.6
161.13231	2.6
163.11166	6.3
163.14845	1.3
167.10632	3.1
171.11639	1.4
173.09570	1.9
173.13228	7.3
174.99188	3.1
177.05460	1.1
177.12712	2.8
179.08640	1.4
181.12199	2.8
187.11111	2.8
187.14726	5.0
189.16315	4.5
190.07774	1.3
191.06915	1.9
191.08453	1.6
191.14308	1.4
191.17923	16.9
195.13754	4.4
203.14323	3.7
205.19485	1.9
215.14317	2.3
215.17934	20.8
219.08041	1.7
233.11679	2.3
233.15294	3.7
233.18964	21.3
251.06772	1.4
251.10641	4.5
251.12859	1.3
251.13882	1.5
251.16399	5.8
251.20026	39.8
252.12285	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.6
55.05500	10.4
57.03419	1.2
57.07063	1.0
59.04988	0.9
65.03922	1.7
67.05495	60.7
69.07059	9.8
70.06882	4.0
71.04993	1.8
79.05479	19.1
81.07044	55.5
82.07371	0.9
82.55478	0.7
83.04959	1.3
83.08609	9.4
85.06521	1.3
91.05476	9.3
93.07034	18.0
95.04960	2.2
95.08592	54.2
97.06503	6.0
97.10175	4.1
98.21483	0.8
98.98454	100.0
99.08079	1.3
105.07017	5.5
107.08573	11.5
109.06532	1.0
109.10142	23.7
111.08089	4.6
116.99487	3.7
117.06997	1.8
119.08558	4.9
121.10117	16.5
123.11675	8.8
131.08597	4.1
133.10109	9.3
135.08015	0.9
135.11679	10.2
137.09628	2.6
137.13254	2.7
139.11151	1.3
140.01097	1.1
144.09378	0.9
145.10106	3.0
147.11646	3.9
149.13257	5.2
151.11183	4.1
159.11710	2.5
163.11194	1.1
167.10678	0.9
173.13266	2.1
174.99257	2.9
177.12688	1.6
181.12213	1.3
187.14821	1.0
191.17990	0.9
195.13858	1.8
215.17896	8.0
215.19431	0.7
215.21915	0.7
233.19043	5.5
251.14168	1.1
251.17851	0.9
251.20058	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	251.1638
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03930	2.6
55.01860	4.3
55.05503	9.8
57.03435	2.0
57.07055	1.9
67.05494	31.0
69.03413	6.1
69.07046	8.7
70.13556	2.5
70.13979	4.9
71.04977	4.2
76.57505	1.1
79.05478	22.2
81.03400	1.2
81.07040	37.8
83.04958	7.0
83.08608	3.1
83.40129	1.1
85.02863	1.7
85.06524	4.3
91.05463	27.4
93.07027	39.6
95.04966	10.6
95.08588	28.5
97.06520	9.8
97.10056	1.4
98.98448	100.0
105.07008	33.4
107.04929	3.3
107.08571	30.5
109.06487	14.3
109.10141	16.4
111.04414	1.4
111.08073	9.1
113.06003	2.6
115.05431	3.6
116.98687	1.2
116.99477	4.5
117.07009	11.8
119.04928	1.7
119.08563	28.0
121.06495	18.3
121.10117	19.1
123.08073	14.3
123.11674	4.2
125.09555	2.0
128.06192	1.6
129.06940	4.1
130.07771	2.6
131.04918	2.2
131.08545	29.1
133.06480	3.1
133.10110	12.4
135.08026	15.0
135.11667	10.3
137.09584	10.7
139.11111	1.3
141.06984	3.9
141.09071	1.8
142.07776	3.5
143.08524	7.5
144.09415	1.6
145.06425	4.6
145.10086	33.4
147.08023	7.0
147.11655	9.1
149.05922	3.1
149.09622	8.4
149.13222	2.2
151.07561	2.6
151.11174	2.3
153.09064	1.5
155.08531	4.6
156.09346	3.8
157.10104	10.4
158.07245	3.4
159.08011	10.8
159.11696	12.0
161.06023	1.7
161.09613	3.6
161.13242	4.6
163.07526	1.8
163.11162	5.1
167.08557	2.6
167.10712	2.9
169.10129	3.1
171.11653	6.6
173.09598	15.4
173.13234	23.0
174.99216	3.7
175.11140	10.3
177.09073	1.6
177.12776	4.6
182.10881	2.8
187.11192	4.7
187.14778	15.7
189.12718	3.0
191.06996	1.3
191.10727	1.9
191.14244	2.2
191.17955	2.4
193.08652	1.6
193.12160	1.8
193.53102	1.3
195.13693	1.3
197.13275	6.4
203.14186	1.9
205.15839	4.4
215.14311	17.7
215.17886	5.3
233.11763	2.5
233.15309	35.5
233.19037	4.0
251.09021	1.9
251.16380	35.0
251.19951	10.1
252.12164	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1639
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
53.03928	1.5
55.01849	2.8
55.05499	6.4
57.03423	1.4
57.07067	7.0
59.04989	5.4
65.03913	1.6
67.05499	13.3
69.03416	6.2
69.03722	1.3
69.07055	6.6
70.99596	2.0
71.00005	2.1
71.01337	1.3
71.04983	41.6
71.05373	2.3
73.03416	1.0
79.05477	10.5
81.03391	1.9
81.07043	12.6
83.04965	9.7
83.08586	3.7
85.02888	1.4
85.06536	5.0
87.04476	0.9
91.05466	11.4
93.07027	11.9
95.04499	0.9
95.04967	10.6
95.08591	17.4
97.06518	14.1
98.98452	100.0
99.04427	1.9
103.05405	1.5
105.07008	11.0
107.04910	3.0
107.08571	15.0
108.21617	0.9
109.06509	5.3
109.10143	12.7
111.08054	6.7
113.05999	6.1
116.99478	2.9
117.06978	4.2
119.07722	1.4
119.08563	17.7
121.06477	5.0
121.10123	20.3
123.08053	8.1
123.11694	5.8
125.05976	19.6
125.09634	1.7
129.06958	1.5
130.07765	1.0
131.07060	1.1
131.08554	7.7
133.10112	7.2
135.08015	4.6
135.11684	6.2
137.05931	1.7
137.09593	22.2
139.07455	1.4
142.07733	1.1
143.08522	2.0
145.06406	1.4
145.10097	13.4
147.08031	30.0
147.11682	6.5
149.09576	7.7
149.13171	2.1
151.07495	4.2
151.11150	2.1
151.14804	2.7
152.04662	1.1
153.09056	3.0
155.10629	2.1
157.10083	3.1
159.08118	1.8
159.11630	3.2
161.09622	1.3
161.13223	1.9
163.11157	36.3
163.14728	1.9
165.09050	2.3
171.11679	1.2
173.09579	2.9
173.13205	4.6
174.99207	2.9
175.11171	5.9
177.09004	2.9
179.14281	14.9
181.12227	11.5
187.11084	1.6
187.14807	5.4
189.12732	2.8
191.14297	4.9
193.12167	3.1
195.10086	2.6
195.11691	1.7
197.13123	1.2
205.15800	4.3
207.13785	4.0
215.10542	1.0
215.14302	7.2
233.11617	2.7
233.15329	28.2
233.18938	2.4
234.15672	1.2
251.06912	1.3
251.10721	1.7
251.16348	50.9
251.19998	2.6
252.16754	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1638
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03920	2.5
55.01840	3.1
55.05502	6.9
56.95480	1.0
57.07055	2.4
67.05492	17.8
69.03413	2.5
69.07056	10.1
70.22807	5.5
71.04956	1.8
71.29420	1.0
76.25450	1.1
79.05477	11.1
81.03387	2.1
81.07038	21.0
83.04940	3.7
83.08606	2.9
85.02903	1.1
85.06525	1.6
91.05460	21.3
93.07028	16.8
95.04946	5.7
95.08006	2.3
95.08585	30.4
97.06511	5.8
98.98445	100.0
103.05434	1.3
105.07003	22.5
107.04923	3.4
107.08566	17.5
109.06497	4.6
109.10133	15.5
115.05421	3.2
116.06192	2.6
116.99477	3.2
117.06995	16.0
119.08556	20.7
119.99786	1.1
121.06472	8.7
121.10121	7.2
121.10846	1.2
123.04404	4.6
123.08041	1.8
123.11665	3.2
125.09613	1.3
129.06961	4.9
130.07773	2.8
131.08536	48.2
133.06436	7.6
133.10085	9.0
135.08008	5.8
135.11652	4.9
137.05919	3.4
137.09583	4.7
143.08531	5.8
145.06458	7.6
145.10094	31.5
147.07974	3.3
147.11661	7.6
149.09558	2.8
149.13225	1.7
151.07437	1.6
154.07825	1.5
155.08594	1.3
156.09219	1.4
157.10065	4.6
158.10884	1.3
159.08099	7.1
159.09169	1.3
159.11655	14.5
161.09560	1.5
161.13060	1.7
163.03786	1.4
163.07503	5.1
163.11095	1.6
163.14726	1.3
165.07103	1.3
169.10095	1.7
171.11607	1.8
173.05896	1.6
173.09587	3.8
173.13229	3.6
174.99161	4.2
175.11134	3.8
177.09000	1.4
177.12643	2.0
177.16289	1.6
187.11201	1.8
187.14790	31.2
191.06999	2.2
191.14240	1.4
193.12158	14.6
197.13155	1.9
203.14291	26.0
204.14632	1.6
205.12180	1.8
205.15825	5.9
209.13205	1.3
215.10719	1.6
215.14224	11.1
233.11627	5.3
233.15289	17.2
233.18939	2.5
251.10707	1.6
251.16255	26.8
251.20108	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1638
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
51.02355	1.3
53.03932	2.9
55.01868	7.0
55.05500	21.3
55.44091	1.0
57.03419	4.7
57.07057	4.4
59.04989	5.6
59.80985	1.1
65.03924	3.1
67.05494	47.4
69.03421	13.0
69.07057	27.8
70.51634	0.9
71.01343	1.4
71.04981	11.0
71.14776	1.2
71.15123	2.3
79.05479	32.4
81.03409	4.1
81.07044	72.2
82.70592	0.9
83.01321	1.2
83.04960	9.2
83.08613	9.4
85.02892	14.6
85.06525	12.3
87.04447	2.8
91.05465	36.5
92.74912	1.1
93.07027	58.7
95.04955	18.1
95.08588	45.5
96.24564	1.0
97.02875	8.8
97.06516	16.0
97.10139	3.1
98.98449	100.0
99.04436	3.0
99.08076	8.2
103.05443	1.1
105.07011	47.6
106.07338	1.1
107.04933	6.7
107.08582	44.7
109.02824	1.1
109.06496	14.2
109.10136	25.0
111.04418	13.4
111.08062	10.8
111.11707	2.2
113.05993	1.7
113.09619	1.9
115.05443	3.9
116.06207	1.6
116.99482	4.0
117.07016	13.7
119.04932	3.1
119.08566	33.6
121.06502	12.2
121.10127	26.6
123.04414	3.9
123.08051	11.2
123.11673	12.9
125.05997	5.0
125.09614	4.6
128.06212	4.0
129.06958	8.6
130.07753	3.1
131.04839	1.9
131.08549	28.0
133.06494	4.9
133.10103	23.2
135.04440	2.1
135.08031	14.2
135.11674	15.5
137.05980	4.8
137.09586	7.7
137.13206	3.2
139.07530	7.5
139.11154	2.5
139.83371	1.1
141.05438	1.2
141.07025	2.3
142.07745	3.4
143.08531	9.1
144.09293	1.6
145.06485	8.4
145.10103	26.5
147.04359	1.5
147.07993	9.5
147.11649	30.1
149.06003	1.5
149.09607	14.3
149.13232	17.5
151.03816	1.3
151.07481	6.0
151.11182	4.9
153.09085	4.0
153.12729	6.0
154.07616	1.1
155.08510	6.5
156.09296	2.6
157.10127	6.5
158.07253	1.9
159.08015	14.0
159.11676	16.9
160.56175	1.2
161.05916	1.4
161.09641	5.6
161.13245	11.2
163.07594	5.1
163.11145	7.3
163.14793	1.6
165.09151	5.1
165.12685	1.5
167.08556	2.8
167.10756	1.6
167.14359	1.5
169.10155	3.0
171.11697	4.0
173.09625	9.2
173.13258	9.4
174.99205	3.4
175.11176	7.5
175.14822	4.9
177.05568	1.5
177.09126	6.2
177.12714	6.6
177.16307	1.4
179.10684	2.7
182.10893	3.2
185.13229	3.3
187.11107	5.2
187.14780	12.6
189.12714	5.0
189.16458	1.6
191.07051	2.9
191.10687	2.1
191.14290	5.0
191.17934	2.9
193.12224	3.5
195.13742	1.9
197.13217	7.2
203.14310	8.6
205.04898	2.1
205.12254	2.6
205.15843	5.6
207.13754	1.3
215.14288	21.1
215.17818	8.3
219.08240	1.5
221.15356	9.3
223.16786	1.9
233.11703	2.1
233.15335	53.7
233.18854	10.6
234.15704	1.8
251.05527	3.6
251.10735	3.0
251.16408	68.7
251.20050	17.1
252.16689	2.6
253.19839	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1637
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
50.17228	0.9
55.05496	3.9
57.03428	1.0
57.07076	1.1
59.14911	1.0
67.05497	13.6
69.03426	2.3
69.07049	6.0
71.04974	2.1
71.70210	1.6
79.05481	7.5
81.07042	12.3
83.04967	2.0
83.08588	1.2
85.06532	1.4
91.05461	16.6
93.07034	11.7
95.04955	4.5
95.08597	20.3
97.06532	3.0
97.10181	1.2
98.98452	100.0
103.05471	1.7
105.07013	17.4
107.08569	10.8
109.06500	2.2
109.10142	8.1
115.05444	3.2
116.06216	1.7
116.99497	3.1
117.07014	11.6
119.08556	12.2
121.06528	3.0
121.10106	5.0
123.04418	2.6
123.08064	1.4
123.11690	1.6
125.05928	1.3
126.71423	0.9
127.15533	1.0
129.06963	2.1
130.07771	2.4
131.04865	1.4
131.08548	39.5
132.08861	1.0
133.06476	1.5
133.10147	4.4
135.08023	2.8
135.11687	2.4
137.05959	2.5
137.09557	4.4
137.13248	1.2
140.01102	1.1
142.07729	1.1
143.08549	2.9
144.09343	1.4
145.06450	5.0
145.10101	27.2
147.07945	1.6
147.11649	6.5
149.09619	1.7
149.13205	1.7
151.07478	1.4
157.10094	3.0
159.08069	5.6
159.11673	10.0
161.13246	1.5
163.07588	2.8
163.11168	1.2
163.14857	1.1
163.38054	0.9
169.10104	1.1
172.12589	1.1
173.09546	1.9
173.13229	2.2
174.99205	2.9
175.11206	3.2
177.09064	0.9
177.16319	2.6
187.14790	26.6
188.15218	1.3
193.04941	1.1
193.12233	14.9
195.11751	1.2
197.13237	1.5
205.15919	5.1
215.14307	8.2
233.15341	11.4
241.49786	1.0
251.16026	5.2
251.20192	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87677	0.5
53.03939	1.0
55.01866	1.9
55.05502	3.7
57.03427	1.1
57.07072	1.1
59.04985	0.8
65.03918	1.0
67.05492	9.6
69.03416	1.6
69.07062	9.1
71.04974	1.8
71.08587	0.5
71.70386	0.9
79.05492	5.8
81.03386	0.7
81.07043	10.1
83.04969	2.2
83.08611	1.8
85.06517	1.3
91.05473	7.6
93.07032	9.6
95.04942	2.7
95.08590	10.9
97.06525	2.8
98.98453	100.0
103.05436	2.9
105.07012	6.7
107.04943	1.5
107.08578	4.9
109.06500	1.6
109.10155	5.1
111.04408	0.9
111.08047	1.3
115.05447	2.1
116.06243	0.8
116.99472	3.6
117.07008	10.7
119.04900	0.9
119.08582	4.2
121.06498	2.2
121.10146	4.2
123.04407	1.6
123.08045	1.5
123.11674	1.3
125.05963	0.9
125.09654	0.6
129.06995	1.7
130.07761	0.9
131.04906	4.7
131.08553	8.2
133.06494	1.7
133.10110	2.8
135.04338	2.3
135.08055	1.8
135.11697	2.1
137.05954	4.3
137.09630	1.7
139.07549	0.6
139.11255	0.6
140.01054	1.0
141.06941	0.7
143.04962	0.6
143.08554	1.5
144.05653	0.9
144.09354	0.6
145.06459	10.9
145.10118	5.7
147.06987	0.5
147.08060	1.6
147.11671	2.0
149.05959	6.4
149.09607	2.0
149.13252	1.0
151.03918	0.7
151.07559	1.1
153.09056	1.2
154.07716	0.6
155.04883	0.5
155.08548	0.6
157.10139	1.0
158.07259	1.0
159.07997	1.7
159.11714	3.5
161.05957	2.7
161.13281	1.0
162.06677	0.6
163.03906	3.0
163.07520	9.0
163.11198	1.6
163.14726	0.7
165.05498	0.8
165.06836	0.6
169.10109	1.6
170.79347	0.5
173.05922	4.0
173.09593	0.8
173.13281	1.0
174.99228	2.0
175.11198	0.8
176.04788	0.7
177.05508	0.9
177.09077	0.9
177.12720	0.8
181.04967	1.5
181.10107	0.6
187.11163	3.1
187.14780	3.8
189.09145	0.7
191.07019	16.1
191.08437	0.8
191.10609	0.8
191.14258	0.6
191.17928	0.9
193.10622	0.5
193.12204	2.6
194.10925	0.5
195.11739	0.9
197.09590	1.0
203.14256	2.6
204.07646	0.7
205.08527	0.6
205.12206	4.4
205.15845	1.3
209.13370	0.7
215.10641	2.0
215.14340	1.8
215.17909	0.8
219.08197	0.5
223.07608	1.0
233.08051	1.2
233.11700	21.3
233.15208	4.7
233.19026	1.3
251.07002	1.5
251.10730	1.2
251.12634	0.8
251.16104	5.1
251.20029	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61034	0.7
55.01859	1.5
56.96564	4.3
57.03421	3.0
57.07058	1.2
58.99847	1.7
61.02917	6.5
69.03413	5.6
70.06527	0.8
71.04977	1.5
71.69214	1.0
73.01389	0.8
73.02914	4.2
77.00890	1.8
81.03403	1.7
81.07040	1.3
82.01425	6.1
85.02884	8.6
87.04442	0.9
89.00845	1.0
91.02449	2.4
95.08575	1.1
97.02872	8.0
98.03201	1.1
98.98446	100.0
99.04414	1.0
100.02461	33.8
101.00880	1.6
103.02409	2.2
105.00319	1.0
109.02824	1.7
112.02832	1.3
115.02409	1.3
116.98657	1.7
116.99480	5.7
117.02115	1.1
117.04771	1.1
118.03495	21.0
119.01888	5.5
121.01649	1.0
121.03451	1.8
123.04054	1.2
125.04425	1.2
126.98779	2.6
127.03923	2.0
129.03934	1.3
131.01901	1.1
133.03448	4.1
137.02930	1.0
139.04207	3.8
141.01308	1.0
143.01846	1.6
144.99803	19.8
145.01602	1.3
145.03464	1.0
145.05011	1.2
146.99611	1.5
147.01382	1.7
147.05000	2.4
148.03766	1.7
148.04797	1.9
150.00363	1.8
151.04358	1.1
152.21849	1.1
154.04749	1.6
154.54866	1.6
154.98253	1.8
157.02565	3.0
158.03578	0.9
159.05019	2.9
161.02849	1.2
161.05496	15.1
161.55591	3.5
163.00838	4.4
163.02821	0.9
165.00743	1.0
168.01398	11.8
170.06094	7.0
170.56152	1.8
172.99297	23.4
173.02884	1.3
174.99161	2.6
177.00934	1.6
177.02354	6.1
177.06023	3.2
177.99777	2.0
181.56844	3.2
186.02473	1.3
187.00870	4.0
190.98607	1.5
191.00340	22.0
191.01962	1.0
195.03545	1.3
195.07089	1.1
196.00879	74.2
197.01076	1.6
200.04132	1.6
201.02405	1.1
205.00220	1.0
205.01949	5.2
205.03555	1.0
210.02522	1.9
212.04478	0.9
214.01933	32.9
215.02254	1.3
219.02498	5.2
219.07037	4.1
223.02963	1.5
228.01219	1.9
228.03482	29.4
245.77046	0.9
246.04515	5.3
251.05048	2.9
256.14294	0.9
267.26440	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.7
56.96555	1.0
57.03416	1.9
60.65184	0.8
61.02913	1.3
67.05511	0.8
69.03421	4.7
70.06580	2.3
71.70203	1.5
72.08157	2.5
81.03395	1.7
81.07029	2.3
84.60155	0.7
85.02895	16.5
86.09698	1.0
88.07615	83.3
91.05462	1.2
92.53323	0.9
93.07059	1.0
97.02863	2.6
98.98450	100.0
105.03344	1.6
109.02860	2.1
116.98653	1.0
116.99497	3.6
118.57448	0.9
127.03911	3.6
136.06146	2.3
142.85271	0.9
145.04958	1.0
150.09190	1.1
151.05748	0.8
151.07526	1.0
172.80324	0.8
174.99197	3.0
186.09370	0.9
250.10632	2.7
250.14612	1.8
250.19826	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	249.1844
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
55.05499	13.0
57.07061	4.8
60.30513	1.0
67.05489	8.8
67.56747	1.2
69.07058	9.5
71.05003	1.2
71.08624	1.5
71.71826	1.4
74.99253	1.1
79.05482	9.8
81.07045	12.5
83.08606	8.0
91.05466	7.8
91.83842	1.0
93.07040	16.8
95.04962	1.3
95.08592	24.0
97.10166	4.4
105.07015	16.2
107.08581	24.9
109.06458	1.2
109.10130	18.0
111.08050	1.3
119.08562	33.1
121.10135	15.7
123.04414	1.2
123.08070	2.3
123.11693	3.6
125.06027	1.2
125.49790	1.2
129.07004	1.6
131.08556	2.8
133.06490	1.2
133.10115	32.9
135.07980	1.6
135.11665	6.2
137.05957	1.4
137.09544	1.6
145.10120	3.7
147.11659	25.2
149.09637	1.6
149.13239	5.1
151.11276	1.4
153.09056	9.1
157.10129	3.3
159.11615	1.6
161.09615	2.7
161.13235	12.9
163.14827	1.3
165.09184	1.5
167.10649	7.8
171.11676	1.7
173.13144	1.3
174.13986	1.3
175.11163	3.1
175.14786	5.8
179.10603	2.1
189.16289	1.3
193.12204	6.1
203.17920	100.0
204.18263	2.7
205.19473	11.4
207.11810	1.8
207.13715	1.8
207.46791	1.2
213.16373	1.6
219.11650	2.0
221.18927	6.2
231.17427	7.1
249.16252	3.4
249.18475	25.8
250.18764	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1845
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
51.98812	0.7
55.05507	9.7
57.07064	3.1
65.59563	0.7
67.05499	4.7
69.07069	6.4
77.74170	0.7
79.05482	3.8
81.07040	6.1
83.08587	4.8
91.05458	4.9
93.07033	10.7
95.04968	1.4
95.08598	17.8
97.06514	0.9
97.10165	3.0
105.07010	13.4
107.04982	0.9
107.08575	14.9
109.06506	1.1
109.10139	11.6
111.08066	1.6
117.06991	1.6
119.08562	25.2
121.06493	0.9
121.10150	10.8
123.11686	2.6
125.05981	1.3
125.09639	1.7
131.08557	2.5
133.10112	28.3
134.10320	0.8
135.11682	5.3
135.45049	0.8
137.06000	1.0
139.07504	1.4
143.87959	1.1
145.10121	1.0
147.10568	1.6
147.11667	20.2
149.13232	3.0
151.07486	1.5
151.11270	1.0
153.09055	4.7
159.11707	2.2
161.13237	10.9
163.14890	1.6
165.09135	1.9
167.10648	7.1
174.14066	0.9
175.11140	1.7
175.14796	3.1
179.10643	2.6
189.16159	1.1
193.12292	2.8
203.17941	100.0
204.18190	2.6
205.19530	3.3
221.18974	6.8
231.17432	3.3
249.07375	1.0
249.14879	1.5
249.15773	1.3
249.18480	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	249.1846
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
50.23130	1.1
53.03928	3.5
55.01847	4.2
55.05499	12.1
57.03418	1.5
57.07048	2.8
65.03924	2.2
67.05142	2.5
67.05493	49.8
69.07054	10.0
69.84084	1.1
71.04965	2.5
71.33252	1.1
71.71325	2.1
77.03922	1.3
79.05481	73.3
81.03392	1.4
81.07043	40.3
83.04956	3.0
83.08607	11.5
85.06521	2.9
87.04436	1.2
91.05463	38.6
93.07029	95.5
95.04943	8.8
95.08588	30.7
97.06497	6.0
97.10158	2.5
99.08058	3.7
105.04465	1.7
105.07008	16.7
107.08572	46.5
109.06456	3.5
109.10138	9.6
111.08062	5.8
113.09686	1.6
117.07001	5.0
119.08565	18.2
120.68027	1.1
121.06519	2.4
121.10125	97.7
122.10393	1.8
123.08046	5.8
123.11652	1.4
125.09585	3.4
129.06953	1.8
131.08546	11.6
133.10104	19.1
135.08047	5.2
135.11674	26.2
137.09590	12.4
139.07487	2.9
143.08554	2.9
145.10104	6.5
147.08121	1.6
147.11650	12.6
149.09579	10.4
149.13219	2.7
151.11180	7.7
153.09088	4.8
157.10089	1.9
159.11621	2.4
161.09549	1.9
161.13278	2.1
163.11102	2.4
165.12650	2.3
167.10640	4.8
171.11676	3.8
175.11182	1.4
175.14767	2.1
185.13199	3.1
189.16396	2.2
193.12201	1.3
203.14247	4.4
203.17981	6.9
207.13736	1.7
207.47981	1.1
213.16356	9.4
231.13841	1.7
231.17371	12.3
249.14551	3.0
249.18459	100.0
250.18849	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1846
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
50.41554	1.4
51.93941	1.4
53.03943	1.7
54.47157	1.4
55.05505	16.9
57.07057	4.7
57.97435	1.6
67.05496	13.8
68.95885	1.5
69.07055	11.7
71.04984	1.4
71.08611	1.9
79.05476	14.1
81.07051	19.5
83.08606	9.6
91.05470	12.1
93.07027	24.3
95.04945	3.5
95.08595	26.1
97.06505	1.7
97.10155	6.9
105.07014	23.3
107.04939	2.2
107.08575	27.9
109.06504	3.4
109.10133	16.1
119.07747	1.9
119.08575	34.4
121.06481	2.2
121.10105	22.3
123.04391	1.6
123.08047	2.7
123.11713	3.2
125.05977	1.9
127.98773	1.6
129.06972	2.2
131.08533	3.7
133.06496	2.7
133.10104	40.6
135.08075	2.4
135.11673	9.8
137.05969	2.0
137.09674	1.6
139.07532	2.0
143.08548	1.9
145.10109	6.5
147.08058	2.5
147.11658	30.7
149.09596	1.9
149.13203	6.0
151.07478	1.9
151.11206	1.9
153.09138	8.4
157.10092	3.3
159.11655	1.9
161.09584	2.7
161.13255	15.0
163.14824	2.4
165.09134	3.0
167.10616	8.1
173.13190	2.7
175.11153	1.9
175.14795	7.8
179.10638	3.8
181.12190	2.0
185.13261	4.5
189.16341	1.4
193.12167	2.6
203.14255	5.2
203.17932	100.0
204.18335	2.1
205.19472	11.6
221.19005	6.3
231.13747	3.4
231.17439	5.3
249.14583	7.2
249.18475	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.148
Annotation	loxoprofen active metabolite
Peak:m/z	Relative Intensity
53.03970	1.3
55.01889	1.0
55.05503	5.9
56.00326	0.6
57.07108	1.3
63.57497	0.7
67.05499	5.8
69.03450	0.9
69.07061	7.9
71.70271	1.4
75.70177	0.7
79.05490	7.2
81.07045	10.3
81.19617	0.7
83.05013	1.5
83.08642	1.2
85.06565	1.0
91.05461	8.0
93.07034	12.1
95.04472	0.6
95.05013	2.7
95.08592	9.9
97.06542	1.0
97.10183	0.8
100.99319	0.7
102.33882	0.8
105.07013	17.6
107.04958	1.6
107.08575	8.7
109.06548	2.5
109.10137	6.0
111.61735	0.6
115.05492	0.8
117.07064	2.7
119.08567	23.9
119.09398	1.3
121.06466	5.2
121.10133	8.5
121.10851	0.8
123.08057	1.7
128.06252	2.4
129.06998	5.4
131.08530	9.7
133.06483	3.9
133.10112	9.8
135.04454	0.8
135.08067	2.3
135.11711	3.2
137.05939	1.3
137.09630	0.7
142.07790	2.9
143.08551	21.1
143.09621	1.5
144.09299	1.4
145.10094	8.5
147.08038	3.3
147.11656	3.2
149.05965	3.3
149.09605	1.9
151.07553	0.8
153.09106	2.9
155.08559	1.6
156.09384	2.1
157.10115	13.1
159.11650	3.6
161.05937	3.4
161.09618	3.6
161.13246	3.9
163.07570	0.8
165.06984	0.9
165.09196	1.0
169.10103	1.1
170.10883	6.5
171.11626	0.8
173.13235	1.1
175.07535	2.1
175.11172	0.7
175.14813	17.4
177.16379	2.1
183.11656	1.7
185.13232	100.0
186.13585	2.3
187.14810	3.7
189.09041	1.4
193.15851	1.4
195.11705	1.3
203.14288	56.8
203.18137	3.9
204.14536	1.2
207.11629	0.9
207.13647	1.2
213.12637	1.4
213.16414	0.9
221.15219	1.7
230.24403	0.7
231.13773	22.7
231.17244	1.5
237.17900	0.7
249.12280	1.4
249.14740	25.0
249.18562	7.1
250.14967	1.3
255.96764	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1481
Annotation	[R-(E)]-6-(4-Formyl-3-cyclohexen-1-yl)-2-methyl-2,6-heptadienoic acid
Peak:m/z	Relative Intensity
53.03944	1.4
54.41098	1.0
54.74058	1.0
55.01854	3.3
55.05508	6.3
57.03405	1.6
57.07064	1.6
58.57997	0.9
60.42130	1.1
67.05492	12.2
69.03419	5.1
69.07063	7.8
71.04974	2.4
71.69739	1.2
71.70174	1.9
79.05481	11.2
81.03392	2.3
81.07040	14.4
83.04944	3.3
83.08591	3.6
85.02877	1.9
85.06541	1.5
91.04924	1.3
91.05468	17.5
93.07031	15.0
95.04967	9.8
95.08588	21.4
97.02858	1.8
97.06497	6.9
103.05448	2.2
105.02448	1.1
105.07012	18.6
107.04942	6.6
107.08577	14.2
109.06464	5.3
109.10133	17.5
111.04405	4.1
113.05947	1.3
115.05405	3.0
116.06245	1.8
117.07005	8.5
119.04896	1.9
119.08549	13.4
121.06479	17.4
121.10120	7.7
123.04405	2.3
123.08043	3.1
123.11659	2.0
125.05955	2.0
126.46712	1.2
128.06177	2.6
129.06992	7.2
130.07784	1.1
131.04874	1.9
131.08556	19.2
133.06477	9.7
133.10089	7.7
135.04369	1.1
135.08032	10.6
135.11668	2.3
137.05957	7.0
137.09586	2.5
137.13193	1.5
139.07602	1.1
141.06949	2.4
142.07747	4.5
143.08540	8.5
144.05728	1.1
145.06458	6.0
145.10080	10.7
146.07152	1.2
147.04382	2.2
147.08029	10.9
147.11633	4.5
149.05931	9.2
149.09615	4.1
149.13252	2.8
151.07556	2.2
152.14311	2.2
153.05449	2.2
155.06035	1.4
155.08528	2.4
157.06454	2.0
157.10139	5.9
158.07188	1.6
158.10852	2.5
159.08003	8.8
159.11626	7.3
161.05951	4.0
161.09584	7.4
161.13228	3.1
163.07524	6.1
163.11176	1.7
165.05623	1.0
165.06981	1.7
165.09062	1.3
170.10892	1.6
171.08049	2.5
171.11615	1.3
173.09584	4.0
173.13231	26.6
175.07466	2.1
175.11154	5.8
175.14835	2.3
177.09087	3.5
177.12727	4.6
179.07005	1.5
183.11681	1.8
184.08727	1.3
185.09631	1.5
185.13254	5.2
189.09103	4.3
189.12721	3.3
191.14169	6.1
198.10414	1.3
201.12700	11.6
203.10736	2.4
203.14372	6.7
203.17818	1.9
205.08560	1.3
213.12688	4.3
219.13763	32.1
231.10092	4.3
231.13730	5.4
231.17365	1.5
249.05350	2.0
249.07578	2.5
249.11147	7.7
249.14812	100.0
249.18756	4.2
249.23248	1.9
250.10999	1.3
250.15033	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	249.1119
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03923	0.8
55.01852	1.9
55.05489	1.0
57.03417	1.6
65.03934	0.7
67.05499	3.9
69.03406	2.1
69.07054	0.9
71.01292	0.7
71.04968	0.9
71.16660	1.3
73.76488	0.6
77.66676	0.6
79.05486	5.0
81.03417	3.9
81.07043	3.8
83.04980	1.2
85.02885	1.4
85.06522	1.0
91.04925	0.9
91.05467	10.6
93.07032	3.6
95.04946	1.8
95.08579	2.7
97.02904	1.3
97.06510	0.9
103.05444	2.0
105.03374	0.7
105.07019	6.7
107.04947	5.2
107.08569	2.0
109.02834	5.4
109.06497	1.8
111.04431	0.6
115.05450	8.6
116.06216	3.5
117.07019	6.7
119.04919	1.9
119.08561	3.5
121.06462	2.2
121.10143	3.4
123.04410	2.6
123.08065	1.3
128.06204	9.8
129.06996	22.7
130.07742	0.7
131.04903	2.7
131.08549	18.2
132.05695	2.1
133.06467	5.3
133.10126	3.6
135.04448	2.8
135.08037	1.3
135.11728	0.9
137.05952	1.0
139.03883	0.9
139.05334	0.7
140.04652	2.2
141.05408	0.9
141.05797	0.7
141.06984	10.5
142.07774	5.0
143.04951	1.1
143.08556	4.6
144.05687	10.6
145.06465	10.6
145.10104	2.1
146.07288	3.5
147.04414	3.7
147.08052	4.7
147.11664	1.8
149.09604	1.1
151.07550	0.9
152.06229	1.0
153.05457	4.7
153.06976	2.7
155.06030	1.6
156.05678	2.4
157.06488	10.7
157.10078	1.4
158.07262	2.4
159.04382	2.0
159.08041	27.9
159.11644	0.9
160.05229	3.4
160.08424	0.7
161.05957	6.1
161.08354	1.1
161.09593	9.4
161.13248	1.0
163.03851	1.4
163.07538	0.7
165.05493	0.9
167.03394	5.5
167.06998	0.8
169.06343	1.3
169.07686	2.8
170.03607	1.1
170.07233	8.3
171.04373	2.3
171.08035	7.3
172.05170	3.9
173.05980	4.9
173.09557	0.8
174.06773	3.4
175.04008	0.8
175.07510	7.8
175.11279	1.0
177.05460	2.5
178.06120	0.9
179.07031	1.2
185.05939	2.5
185.09608	1.9
186.06671	1.3
187.07536	19.0
188.04692	1.2
188.08350	1.0
189.05450	5.5
189.09085	9.8
190.06207	1.6
191.07022	2.3
193.08562	2.6
198.06738	2.3
199.07530	3.0
201.05440	1.9
203.07027	9.2
203.10629	1.7
203.14232	1.3
204.07761	12.1
205.08533	2.4
206.05782	0.9
206.09370	1.4
207.06580	1.0
207.13652	0.6
213.05424	0.9
213.09114	1.3
213.16177	0.8
216.07722	3.3
217.04918	1.5
217.08578	0.9
218.09366	1.7
219.10161	1.8
221.08064	4.4
221.11639	3.2
231.06487	2.0
231.10164	8.2
231.13789	1.4
249.07573	8.9
249.11205	100.0
249.14757	3.5
249.18193	3.3
250.11537	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1119
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03932	1.4
55.01852	2.0
55.05489	1.7
57.03414	1.6
57.07069	0.6
60.18762	0.6
65.03918	0.9
67.05199	0.5
67.05501	4.3
69.03406	2.1
69.07059	1.5
69.52888	1.0
69.53294	4.8
71.04982	0.9
79.05486	5.0
81.03399	4.3
81.07044	4.6
83.04990	1.4
83.53805	0.6
85.02892	1.3
85.06507	1.0
91.05462	13.2
92.05769	0.8
93.07034	3.6
95.04942	3.1
95.08576	2.3
97.02920	1.3
97.06506	1.1
103.05442	3.6
105.07008	6.9
107.04945	7.1
107.08575	2.8
109.02871	6.4
109.10165	1.2
111.04374	0.7
111.08022	0.7
115.05437	9.6
116.06226	5.6
117.07008	7.7
119.04925	2.7
119.08559	5.0
121.06502	3.3
121.10135	3.2
123.04416	2.5
123.08038	1.0
128.06198	12.9
129.06989	24.5
130.07744	1.1
131.04878	3.7
131.08553	22.0
132.05676	2.7
133.06490	6.4
133.07413	1.0
133.10130	3.3
135.04430	3.7
135.08018	1.4
137.05934	2.1
137.09648	1.2
139.03886	0.7
140.04651	2.8
141.05405	1.2
141.05795	1.0
141.06981	13.0
142.07744	6.3
142.12791	0.7
143.04903	2.3
143.08519	5.2
144.05687	11.8
145.02831	0.7
145.06479	9.9
145.10114	2.0
146.07275	3.7
147.04387	3.0
147.08054	4.5
147.11650	1.7
149.05894	1.1
149.09550	1.1
152.06149	1.0
153.05496	4.0
153.06955	2.9
155.06012	1.8
156.05695	2.3
157.06471	12.4
157.07675	1.2
157.10081	1.6
158.07240	2.7
159.04364	1.8
159.08031	31.9
159.11641	1.1
160.05179	3.6
160.08588	0.7
161.05972	7.7
161.09618	9.8
161.13261	1.1
163.03896	1.7
163.07494	0.9
165.05522	0.9
167.03401	6.6
167.04750	1.1
167.07022	1.4
169.06444	1.6
169.07619	2.8
170.07253	8.1
171.04411	2.2
171.08018	8.3
171.11670	1.0
172.05162	3.1
173.05943	5.7
174.06776	4.2
175.03906	1.2
175.07533	9.6
175.11145	1.2
177.05441	2.9
178.06247	1.5
184.05219	0.7
185.05954	2.4
185.09598	1.8
186.06668	0.8
187.07520	20.6
188.08174	1.1
189.05498	6.8
189.07095	0.7
189.07431	0.9
189.09100	11.5
190.06171	1.8
191.06976	2.2
192.07771	0.9
193.08563	2.4
193.12242	0.7
198.06761	2.4
199.07501	2.7
201.05435	1.6
203.07008	10.8
203.10645	1.6
204.07793	13.3
205.08487	2.6
206.09355	1.8
207.06418	0.9
213.05498	1.5
213.09033	1.5
216.07851	4.5
217.04938	1.9
217.08565	0.9
218.09357	2.0
219.10063	2.9
221.05959	1.1
221.08012	4.7
221.11568	3.3
231.06468	2.4
231.10133	9.5
231.13730	1.2
231.17455	0.7
234.08871	1.5
249.07541	8.5
249.11192	100.0
249.14700	3.1
249.18471	2.0
250.11591	2.5
254.97598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1117
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
54.71439	0.6
55.01859	1.0
55.05492	2.1
56.96537	0.9
57.03411	1.6
67.05489	4.4
67.48482	0.6
69.03409	3.4
69.07040	2.1
71.04981	1.5
71.70766	0.7
71.71128	0.9
79.05473	5.3
81.03391	0.9
81.07040	4.7
83.04962	1.5
85.02882	1.7
85.06538	1.4
87.04457	0.8
91.05463	12.4
93.07028	5.6
95.04948	2.5
95.08614	3.3
97.02905	1.2
97.06494	2.0
98.12292	0.6
98.97555	1.5
103.05426	1.8
105.07001	10.2
107.04935	2.6
107.08570	5.6
109.06493	1.7
109.10120	2.4
111.04388	0.8
111.08044	1.2
115.05432	6.2
116.06228	3.8
116.98619	1.2
117.07004	4.7
119.04882	0.9
119.08565	5.3
121.06469	1.9
121.10131	2.5
123.04356	0.9
123.08038	1.8
128.06197	8.8
129.06981	21.1
130.07848	1.5
131.04915	2.6
131.08539	18.8
132.05717	1.4
133.06480	4.4
133.10088	4.8
135.04408	1.0
135.08035	1.9
135.11664	1.2
137.06004	0.9
137.09573	1.2
141.06953	10.3
142.07726	4.9
143.04863	0.9
143.08554	6.0
144.05684	9.3
145.06447	7.2
145.10091	2.7
146.07294	3.4
147.04369	2.4
147.08005	2.9
147.11690	2.5
149.09601	1.9
151.07480	1.3
151.11215	0.7
152.06186	1.4
153.06947	2.2
155.06003	1.6
156.05643	1.6
157.06448	10.9
157.10074	2.3
158.07236	2.6
159.08023	27.6
159.11641	1.0
160.05185	2.1
160.08687	0.9
161.05939	5.6
161.09583	7.7
161.13286	0.8
162.04382	0.9
163.03838	0.9
163.11201	1.0
165.06906	0.7
167.06992	1.2
169.06387	1.3
169.07616	1.8
170.07234	8.3
171.04628	1.5
171.08000	6.2
171.11684	2.1
172.05144	3.2
173.05928	4.3
173.09486	3.0
174.06741	2.9
175.07536	4.8
175.11139	1.8
177.09084	1.0
178.06250	0.7
185.06023	0.8
185.09654	1.5
185.13229	1.2
187.07515	18.6
188.08281	1.1
189.05400	4.3
189.09081	10.8
189.12672	1.6
189.16336	0.9
190.06180	1.5
191.06982	1.5
191.10547	1.5
195.11606	0.8
195.86708	0.7
198.06714	1.8
199.07506	2.7
201.05418	1.6
201.09192	0.8
203.06996	6.3
203.08740	1.0
203.10600	1.9
203.14243	2.2
204.07774	12.5
205.08546	2.7
206.05719	0.9
213.08989	1.5
213.12787	0.8
213.16322	1.0
216.07764	3.3
217.08572	1.0
218.09293	1.4
219.10097	1.7
219.13751	0.7
221.08083	1.3
221.11603	3.6
228.06499	0.8
231.10133	11.9
231.13741	4.2
231.17381	1.5
234.05142	1.3
234.08864	1.6
249.11183	100.0
249.14705	6.3
249.18138	4.5
250.11516	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0368
Annotation	Unknow
Peak:m/z	Relative Intensity
61.08614	7.2
66.47186	7.9
71.69818	10.1
94.93001	55.6
98.97643	9.3
110.23311	8.3
112.34460	7.1
119.01898	17.3
249.03697	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22533	0.6
53.81954	0.6
56.96571	0.7
58.99861	1.0
61.02909	0.7
65.77769	0.7
68.75156	0.6
70.70225	2.3
77.00908	1.2
82.99850	2.8
85.02871	0.8
98.20602	0.8
101.00863	25.8
113.00862	1.3
115.02403	0.9
119.01902	100.0
119.13611	0.7
120.01957	3.4
127.02385	1.1
131.01880	7.3
133.03456	1.5
137.02931	21.1
138.03047	1.0
142.03476	2.7
143.01883	19.4
145.03447	11.5
147.01360	1.4
149.02930	2.4
157.03423	1.8
159.01376	9.4
160.56923	0.7
161.02934	59.9
162.03052	1.8
163.04601	1.3
171.01373	4.2
173.02942	4.4
175.04536	1.5
177.02414	20.6
179.03998	3.0
184.04573	2.4
186.11028	0.8
189.02420	31.6
190.02562	1.2
191.04036	6.5
200.04253	1.3
201.02432	5.6
203.04089	1.9
207.03473	12.7
212.04112	1.3
219.03525	4.9
221.05022	1.3
231.03452	1.9
239.06168	1.0
249.04538	23.5
250.04707	1.1
254.28992	0.8
267.05759	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	4.5
56.96557	46.4
57.03411	13.0
58.99847	3.8
61.02909	16.4
69.03430	28.3
70.06598	5.9
70.91615	3.5
70.98100	7.5
71.70100	7.3
72.08142	6.7
73.02900	19.3
74.97574	4.3
75.24181	4.3
75.73946	3.5
78.65443	3.5
81.03396	14.2
81.07045	4.5
83.53549	5.0
84.08142	3.8
85.02889	26.4
88.99117	4.6
97.02892	32.5
98.97565	63.6
99.04408	5.7
101.00859	27.3
103.00620	6.6
103.02439	7.6
109.02861	7.8
110.05246	4.0
111.20447	4.4
115.00594	4.2
115.02390	7.3
115.03891	3.6
116.98605	44.1
118.08678	4.4
118.99338	3.5
119.01900	100.0
121.01662	15.0
122.93365	3.7
127.03890	10.7
128.98572	10.8
129.00221	3.4
130.08586	4.5
131.00087	7.4
131.01900	12.8
133.01648	5.4
133.03444	17.3
134.99629	20.8
135.03194	4.2
137.02895	24.9
139.73825	3.4
143.01900	29.7
145.03427	17.2
146.04974	6.7
146.99635	8.7
147.01353	9.9
147.03171	8.5
147.05025	13.2
149.01186	16.1
149.02924	8.1
150.05455	4.8
151.04462	6.1
153.03992	3.9
155.01883	9.8
155.05508	7.6
157.03444	15.7
158.99664	11.7
159.01422	5.5
161.01068	7.1
161.02934	51.8
163.04553	5.8
165.00668	11.4
169.05302	10.0
171.01431	4.3
171.04994	13.6
173.01344	4.3
173.02959	12.2
175.05264	7.0
176.05998	4.4
177.00706	27.4
177.02422	18.9
177.04153	15.1
177.06015	3.9
183.01830	5.4
183.04987	5.1
185.02931	9.5
187.04488	16.2
189.00671	10.5
189.02406	16.8
189.06102	5.9
191.04021	9.1
193.00237	7.1
200.02415	5.0
203.03995	7.0
206.88478	4.8
207.01759	23.4
207.03436	8.2
207.05235	4.7
207.07092	5.1
217.00038	4.6
219.03543	5.3
221.05093	4.2
223.01064	4.4
223.04636	4.0
225.06163	6.3
231.03491	9.1
233.05238	6.3
245.04996	5.2
249.04201	26.7
249.08195	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	248.1641
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
51.75460	0.3
53.03932	0.7
53.62036	0.4
55.01851	0.3
55.05235	0.7
55.05501	12.9
59.04996	3.2
59.40834	0.3
67.05479	0.9
69.03394	0.5
69.07084	0.4
71.70281	0.6
72.69183	0.3
79.05467	1.2
80.58564	0.3
81.03385	0.6
81.07043	0.8
83.04961	6.9
84.04494	0.5
84.08118	0.4
85.02872	0.4
91.05435	1.8
93.07039	1.0
94.07337	0.4
95.04950	0.6
95.08597	0.6
101.06003	7.2
105.06984	1.1
106.06619	0.4
106.07347	0.5
107.04937	4.9
107.08559	1.1
109.06502	0.7
115.01891	0.3
115.05473	0.5
116.10770	0.4
117.06978	0.4
119.04900	0.5
119.08544	1.2
120.08854	0.5
121.06576	0.4
121.10132	0.4
122.06033	0.4
122.09671	0.4
123.08096	0.4
124.07553	1.7
128.06190	0.5
131.04953	0.3
131.08527	0.7
132.08029	2.1
133.08835	4.1
133.10052	1.2
140.78250	0.3
142.08606	0.6
143.08510	0.4
145.06436	0.4
145.10114	0.5
147.04384	0.6
147.07979	0.4
147.11674	0.5
148.11179	65.1
149.05969	0.5
149.09592	0.6
149.11546	0.9
149.98463	0.3
161.05977	0.5
176.04318	0.4
179.06975	0.4
187.07578	0.4
189.12621	0.5
202.12561	0.5
203.06982	0.5
230.11879	2.2
230.15550	0.3
231.13852	0.4
248.16414	100.0
249.07516	4.1
249.11287	0.6
249.16753	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
53.04646	1.6
55.01854	6.3
55.05499	4.3
56.05025	1.5
56.96560	59.9
57.03432	11.0
58.99864	2.3
59.04997	2.1
60.04518	2.3
60.95836	3.3
61.02921	18.7
65.03916	6.3
67.05496	21.3
68.04997	1.3
69.03426	18.8
69.07046	2.0
69.95677	5.4
69.96093	3.0
70.03760	2.3
70.06569	7.1
70.25643	1.4
70.98102	3.8
71.04964	3.9
71.95261	1.8
72.08141	4.1
73.02921	16.5
74.06071	4.7
74.97594	2.6
76.40621	1.4
77.00893	1.6
77.22466	1.4
79.05486	8.9
80.05005	1.9
81.03413	17.4
81.07050	5.5
83.04966	6.2
84.04483	5.2
84.08134	19.0
84.96036	3.6
85.02895	37.0
85.06535	2.1
86.03231	1.4
86.06049	2.8
86.09702	9.8
86.27492	1.6
87.04444	6.3
87.10030	3.4
88.99156	4.7
91.05478	12.7
92.04980	1.4
92.05807	2.8
93.03376	1.8
93.07027	3.4
94.06565	35.9
95.04961	6.6
97.02310	2.6
97.02888	21.5
98.06035	4.6
98.97572	38.0
99.04433	3.7
101.00871	5.1
101.02403	1.8
102.00941	1.9
102.96867	2.1
103.03927	2.6
103.05431	1.5
105.96346	1.6
106.01044	1.7
106.06553	9.5
107.00150	4.1
107.04936	5.9
109.02879	8.6
109.06523	4.3
110.01291	2.2
110.02128	1.6
110.03033	1.5
110.05981	1.6
110.07111	1.9
110.97585	3.5
111.00218	1.8
111.04433	8.4
112.99147	2.1
114.09126	1.5
115.00649	1.7
115.02361	4.4
116.02566	3.6
116.98607	43.1
117.01878	5.2
119.01902	25.4
119.02647	2.3
119.03397	2.3
119.04927	8.2
120.02016	7.8
120.05266	1.8
121.01632	5.4
121.03005	1.8
121.06496	4.1
122.06019	33.9
123.04437	8.1
124.02715	1.9
125.02639	5.2
127.01476	2.7
127.03892	4.9
128.98595	4.9
129.02011	3.1
129.10211	3.9
130.04988	1.7
130.08653	2.1
131.00180	2.7
131.01904	12.1
132.01990	2.3
133.01599	6.7
133.03459	10.6
134.01300	1.9
134.03603	4.2
134.99654	37.0
135.04372	3.7
137.00807	1.7
137.02939	5.7
137.05989	7.2
138.03091	2.0
138.05377	2.0
139.03972	3.4
140.07066	3.0
142.03654	1.7
143.00191	2.0
143.01854	6.3
144.01596	1.7
145.01695	4.1
145.03387	8.9
145.04944	3.2
146.01335	4.3
146.03719	1.8
146.99619	8.8
147.01312	3.7
147.03223	2.5
147.04420	8.5
147.52957	1.9
148.03825	2.9
148.04945	2.7
149.01184	6.2
149.02879	4.0
149.04617	1.9
149.05984	1.7
150.05490	100.0
151.02567	1.5
153.00684	5.8
153.02051	1.6
154.03822	8.7
155.01889	4.4
155.04604	2.0
156.53845	1.6
157.03392	4.4
158.01222	3.8
158.99680	4.1
159.02116	2.5
159.03278	2.0
160.06406	4.2
161.01041	3.2
161.02989	8.4
161.04240	1.8
162.03191	2.4
162.53635	1.6
162.99138	3.2
163.02803	2.6
163.04410	6.9
165.00667	10.3
165.05438	4.4
167.02119	3.5
168.06549	12.8
169.03458	5.7
170.99692	2.5
171.01401	3.7
171.03308	1.6
171.05003	3.8
172.04813	2.6
173.02995	5.0
174.02907	1.5
175.00832	4.3
175.02435	1.6
176.02338	1.8
177.00720	9.5
177.02461	3.6
177.04063	2.9
178.07465	2.1
179.02048	2.7
181.03448	3.5
181.05171	1.9
182.00630	1.5
183.04948	3.0
185.02896	3.1
187.02783	2.0
187.04550	3.2
188.02455	11.0
188.05890	4.0
188.11343	2.2
188.52481	2.1
189.00670	6.8
189.02734	3.3
189.04372	5.5
190.98647	2.3
191.02225	3.7
191.03951	4.1
193.00240	2.6
195.05048	5.0
196.05157	1.8
197.02872	6.7
197.04768	3.2
198.03311	1.8
199.02863	2.0
199.04498	3.6
200.04451	1.8
201.02460	2.6
202.12964	2.2
203.02109	1.5
203.03966	2.8
205.00133	2.4
205.03645	3.2
206.00481	1.8
206.03571	2.4
206.07031	5.0
207.01672	3.1
207.03409	3.1
207.05305	6.0
211.04637	2.3
213.06094	2.0
216.00481	3.7
219.01698	3.3
220.03905	2.1
221.05051	4.2
223.01193	2.6
223.04579	4.5
224.01517	3.4
224.04604	3.0
224.08022	4.3
225.00757	2.2
225.04266	7.1
225.06094	4.3
230.06963	13.7
230.12457	2.0
237.02608	1.9
241.05569	3.0
242.05507	1.9
243.01645	2.3
248.03067	35.1
248.08005	27.0
248.10567	1.8
248.15080	2.6
259.06647	2.0
266.05850	1.5
266.09082	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	247.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36337	3.2
53.01427	4.0
53.03938	4.7
55.01839	4.1
55.05500	36.2
57.03424	5.9
57.07068	7.1
62.40803	3.4
65.03917	7.8
67.05492	68.5
69.03417	12.2
69.07050	57.4
71.04973	13.5
71.70937	5.3
77.12724	3.5
79.05471	24.9
80.80830	3.3
81.03402	8.5
81.07042	99.3
83.04962	7.2
83.08598	27.8
85.02893	7.3
85.06520	10.9
91.05466	40.0
93.07026	37.7
95.04952	10.9
95.08591	100.0
95.09199	4.9
97.06514	8.2
97.10157	28.5
98.98450	5.4
99.08064	3.4
103.05457	6.1
105.07023	46.1
106.07327	3.0
107.04933	6.3
107.08585	28.8
109.06489	10.0
109.10134	53.1
111.04411	4.3
111.08056	4.8
111.11700	9.7
115.05451	7.0
116.06213	5.9
116.98643	4.7
117.06995	19.3
119.08552	38.9
121.02841	27.3
121.06497	11.2
121.10099	26.4
123.07980	5.6
123.11686	19.7
128.06223	9.7
129.06990	11.0
130.07741	6.1
131.04948	6.0
131.08548	51.2
133.06442	6.5
133.10089	19.8
135.08044	16.6
135.11690	11.5
137.05952	6.1
137.09616	5.6
137.13234	11.1
141.07018	4.5
142.07721	6.0
143.08569	19.4
144.05669	4.6
145.06471	11.2
145.10095	34.1
147.04353	6.9
147.08043	5.9
147.11667	7.4
149.05988	5.2
149.09641	3.5
149.13228	6.4
151.07558	6.3
151.11110	4.4
155.08572	9.6
157.10112	7.6
159.08029	23.4
159.11630	23.8
161.09608	12.8
161.13264	5.4
163.07573	5.0
163.14777	5.4
168.09348	5.3
169.10063	7.5
171.08086	7.9
171.11708	5.1
173.02191	4.6
173.05939	7.9
173.09619	12.5
173.13251	21.0
175.03897	19.4
177.05444	5.5
177.09131	7.7
183.07961	4.4
183.11644	6.8
187.03864	3.9
187.07515	12.4
187.11102	26.2
187.14757	12.5
189.05374	5.1
189.09135	10.6
189.12711	4.9
189.16364	5.3
191.06990	10.3
191.10672	8.1
201.05492	4.1
201.09125	9.4
201.12724	24.9
201.16368	38.7
205.15926	5.3
211.11006	6.9
211.20439	4.3
219.13818	6.1
225.10492	4.4
229.08609	11.4
229.12085	28.1
229.15871	10.4
229.19522	8.6
247.05762	10.1
247.09790	25.1
247.13158	50.5
247.16850	46.4
247.20621	9.9
247.24213	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	247.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93030	2.9
53.03927	3.7
55.05502	36.9
57.03422	3.1
57.07073	7.3
65.03903	3.4
67.05495	63.4
69.03424	7.5
69.06679	4.6
69.07058	54.1
69.53773	5.7
69.54176	24.8
71.04977	11.9
71.08646	3.3
77.39498	2.7
79.05474	17.1
81.03399	4.3
81.07046	89.1
83.08607	21.0
85.06524	12.1
91.05463	22.3
93.07020	24.1
95.04970	5.5
95.08596	100.0
95.09203	5.9
97.02866	4.5
97.06512	6.0
97.10155	25.9
103.05458	3.5
105.07013	28.8
107.08557	16.6
109.06510	5.3
109.10149	53.5
111.11719	11.0
115.05469	3.9
115.43577	2.8
117.01669	3.1
117.07001	6.5
119.08549	16.3
121.02847	7.4
121.06495	5.5
121.10138	8.7
123.04435	4.5
123.08046	4.2
123.11691	24.8
128.06227	7.6
128.51035	2.7
129.06993	8.8
131.04915	4.3
131.07695	3.3
131.08508	19.4
133.06479	3.5
133.10124	10.3
135.04333	2.9
135.08055	6.7
135.11674	8.0
137.05934	4.5
137.13237	9.7
141.06973	6.6
142.07762	3.9
143.08574	15.5
145.06450	6.9
145.10091	21.9
147.04416	4.6
147.08011	6.2
147.11646	6.0
153.09105	3.4
155.08528	6.4
157.10106	8.0
158.07304	3.9
159.08087	9.6
159.11679	13.5
161.05983	3.7
163.14879	3.6
168.09373	5.5
169.10080	5.4
172.08839	3.3
173.05951	6.8
173.09613	6.5
173.13261	10.1
175.03925	15.5
175.07500	3.6
175.11237	3.2
177.05505	4.4
183.11716	12.3
185.13292	3.9
187.07542	9.8
187.11179	13.3
187.14830	8.2
189.09094	9.0
191.07040	4.8
193.19589	4.3
201.05508	5.0
201.12737	15.2
201.16360	9.2
211.20580	8.8
219.08067	6.9
219.10138	3.4
229.08652	10.7
229.12279	18.3
229.15863	5.3
229.21690	4.6
247.05730	5.7
247.09770	12.2
247.11238	2.2
247.13315	25.8
247.16905	20.4
247.20631	6.3
247.24384	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	247.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02602	3.6
53.03933	4.9
55.01851	4.2
55.05504	46.1
57.07057	4.9
67.05492	67.4
69.03426	7.4
69.07059	48.2
69.94682	13.3
69.95120	12.3
71.04973	9.6
71.69510	3.7
79.05481	12.0
81.07043	90.9
83.04970	31.7
83.08612	25.1
85.06519	10.5
91.05469	26.1
93.07025	13.0
95.08593	100.0
97.10169	28.7
99.44180	3.8
105.07008	10.1
107.08562	5.4
108.37107	3.5
109.10142	60.4
111.11702	14.9
115.05447	12.4
116.06207	12.7
117.07023	5.3
118.66940	3.6
119.08590	5.5
121.02848	19.6
122.03193	13.9
123.04381	4.6
123.11666	26.6
128.06194	13.0
129.07004	36.9
131.04945	4.2
131.08546	39.3
137.13245	8.6
141.06956	11.2
143.08592	6.4
144.05670	27.4
145.06433	8.8
145.10100	6.0
149.02313	6.6
155.04945	4.7
156.05673	26.9
157.06464	16.3
158.07143	4.1
159.08032	66.8
159.11703	6.7
161.05978	4.4
169.07631	5.3
172.05139	5.0
173.05956	5.1
173.13420	4.0
174.09906	5.5
175.03860	9.6
175.07506	5.2
183.11748	6.1
184.05350	3.7
186.06779	7.5
187.07512	47.8
187.11179	10.8
187.14772	5.6
189.05518	4.6
201.09183	5.0
201.12650	5.1
202.06270	8.4
204.07790	6.2
211.20610	8.2
215.07027	10.6
217.08565	48.7
219.08029	9.4
219.10130	8.8
229.08600	8.4
229.12245	10.4
229.21506	4.3
247.07478	9.4
247.09602	42.9
247.11607	11.5
247.13652	7.3
247.16960	10.1
247.20596	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.8
57.07057	2.4
67.05497	8.3
69.07060	8.2
69.35346	1.2
69.44151	8.8
69.44556	1.7
76.06951	1.2
79.05479	8.4
81.07046	9.8
82.41771	1.0
83.08598	4.9
91.05472	17.2
93.07034	23.8
95.04945	2.2
95.08592	19.7
97.10152	1.4
98.98437	2.9
99.04401	1.5
105.06324	2.3
105.07017	33.2
107.08580	27.6
108.20668	1.0
109.06501	3.1
109.10141	7.6
115.05405	2.2
117.06979	7.3
119.08566	53.6
121.06497	1.6
121.10137	11.1
123.11652	1.9
125.05988	2.4
128.06235	1.6
129.06982	2.2
130.07780	4.3
131.08551	37.5
132.07426	1.3
133.10112	59.0
135.08098	2.2
135.11662	2.2
139.07509	2.1
143.08528	6.6
144.09315	2.9
145.06467	2.1
145.10109	40.7
147.08054	2.0
147.11658	9.7
149.06010	2.3
149.09590	3.9
151.07512	3.6
153.09102	2.5
155.08524	1.4
157.10080	5.7
158.10931	1.6
159.08127	5.5
159.11676	40.9
161.09634	1.2
161.13231	8.5
163.07515	7.9
165.09120	3.1
168.09459	1.2
168.56474	1.2
170.10915	1.8
171.11656	4.3
172.12418	2.3
173.09615	6.7
173.13242	20.2
173.14601	1.8
175.03954	5.2
175.07498	1.2
175.14825	3.0
177.09096	38.0
183.11639	3.5
186.14091	1.8
187.11191	8.1
187.14764	3.7
189.09120	1.5
191.10646	6.4
201.12688	4.5
201.16364	100.0
202.16675	1.8
203.17935	10.4
205.12231	2.3
211.14752	2.3
219.17462	3.2
229.08545	2.4
229.12184	4.5
229.15840	17.8
229.19438	1.5
232.15405	1.1
247.09697	3.4
247.13167	2.3
247.16898	25.2
247.19534	1.3
247.20638	2.0
250.31863	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1688
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
50.67011	0.5
52.40054	0.4
53.03918	0.5
55.05505	2.5
57.07061	0.9
67.05491	2.2
69.07052	2.8
69.58774	1.5
69.59206	1.9
77.97086	0.3
79.05483	2.6
81.07040	4.8
83.04969	0.4
83.08587	1.0
91.05456	4.1
92.40611	0.3
93.07031	6.1
95.04954	0.7
95.08598	5.9
97.10130	0.6
105.07013	9.0
107.07895	0.7
107.08573	8.0
109.06485	0.6
109.10143	2.5
115.05415	0.4
117.07002	2.3
117.07710	0.4
119.08560	12.0
121.06454	0.6
121.10123	3.8
123.11663	0.8
129.06989	0.6
130.07732	0.4
131.08548	11.5
133.02876	0.4
133.06555	0.4
133.10112	12.1
135.11678	0.8
139.07457	0.4
143.08476	0.9
144.09378	0.7
145.06465	0.5
145.10104	18.7
146.10823	0.5
147.11638	2.8
149.06024	0.9
151.07513	0.8
155.08629	0.7
157.10072	0.8
158.10870	0.5
159.08028	0.5
159.10362	0.7
159.11676	13.0
161.09593	0.7
161.13266	2.7
163.07510	1.2
165.09177	0.4
171.11656	1.4
172.12213	0.5
173.09573	0.8
173.13222	5.8
175.03951	0.8
175.14717	0.9
177.09091	1.8
179.10646	1.1
186.14011	5.4
187.11179	1.0
191.10631	1.8
199.14772	0.5
201.16354	100.0
202.16664	2.4
203.17888	2.9
219.17433	3.1
228.82996	0.5
229.12265	1.2
229.15770	2.4
247.09662	0.6
247.13145	0.7
247.16905	17.7
247.20685	0.8
253.98590	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1689
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05503	7.3
57.07050	1.9
63.56636	1.3
66.04771	1.3
67.05488	5.1
67.93562	1.1
69.07066	6.5
70.93268	2.4
70.93623	2.4
73.30815	1.1
75.66096	1.2
79.05490	4.0
81.07047	6.7
83.08607	3.3
86.22005	1.3
88.36008	1.3
91.05466	13.3
93.07033	17.8
95.04939	1.6
95.08600	16.0
97.10165	1.9
105.07014	23.6
107.08588	18.4
109.06524	1.9
109.10114	5.8
117.07000	5.5
119.08565	35.7
119.09408	1.9
121.06369	1.4
121.10122	8.4
122.14771	1.2
128.06235	1.6
129.06995	1.8
130.07738	1.3
131.08546	25.9
133.10112	43.0
135.11702	2.4
139.07553	2.8
143.08524	3.0
143.43843	1.2
144.09297	2.3
145.06500	1.3
145.10107	30.9
147.11684	7.0
149.06000	1.7
149.09587	2.4
151.07541	1.7
153.09062	1.5
157.10103	4.4
159.08075	2.5
159.11687	29.8
159.12933	1.3
161.13266	6.3
163.07520	6.1
165.09093	1.7
171.11621	1.8
173.09619	4.8
173.13237	11.8
175.14796	1.7
177.09087	25.6
179.10649	2.7
186.13963	2.1
187.11154	4.8
187.14793	2.8
191.10609	2.9
201.16359	100.0
202.16753	1.7
203.17995	6.4
211.14761	2.1
219.17419	4.8
229.12465	1.5
229.15837	12.3
247.09581	1.3
247.13222	1.5
247.16927	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	247.1689
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
52.90834	0.3
53.03917	0.3
55.05503	1.5
61.25509	0.3
67.05489	2.5
69.07059	4.5
69.68959	2.2
79.05479	2.2
81.07038	3.4
83.08583	1.0
91.05465	2.7
93.07027	5.0
95.04916	0.3
95.08597	5.1
95.11415	0.2
105.06331	0.5
105.07014	7.9
107.08575	6.6
109.06549	0.3
109.10155	1.9
111.08065	0.6
115.05405	0.3
117.06968	2.1
119.08562	7.7
121.02886	0.3
121.06498	0.3
121.10136	3.0
123.08079	0.3
123.11700	0.5
125.05966	0.5
128.06171	0.3
129.07016	0.8
130.07758	0.8
131.08545	9.6
133.10103	9.6
133.11137	0.4
134.10449	0.3
135.11737	0.6
141.06949	0.5
143.08534	0.9
144.09315	0.6
144.36554	0.3
145.10103	21.9
146.10883	0.7
147.11641	3.0
149.05966	0.6
149.09633	0.5
149.13304	0.4
157.10121	0.9
158.10844	0.4
159.08031	0.4
159.11671	10.2
161.09554	0.9
161.13272	1.6
163.14825	0.4
165.08990	0.3
169.10112	0.3
171.11641	0.8
173.09583	1.1
173.13248	5.7
175.14742	0.4
177.09087	1.4
179.10619	2.6
183.11644	0.6
186.14020	1.5
187.11104	0.5
187.14748	0.3
191.10649	1.6
199.14798	0.6
201.16356	100.0
202.16656	2.1
203.17955	2.9
203.30243	0.3
203.33092	0.3
205.12128	0.4
209.77570	0.3
211.14777	0.4
219.13919	0.4
219.17421	4.1
229.15857	1.7
229.19348	0.3
236.70877	0.3
247.05888	0.3
247.09573	0.5
247.13216	0.7
247.16911	23.0
248.17149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.169
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03937	1.4
55.05504	6.6
57.07057	1.6
57.76761	0.8
58.05086	0.8
59.36721	0.8
62.74540	1.0
66.78861	0.8
67.05486	5.1
68.29665	0.9
69.07050	6.4
69.19064	0.9
69.95470	1.0
79.05484	5.2
81.07045	6.8
83.08573	2.6
91.05459	10.6
93.07031	15.9
95.08591	14.0
97.10155	2.0
98.21500	1.6
99.04425	0.9
103.05435	1.2
104.52001	0.9
105.07018	24.8
107.08579	19.9
109.06460	2.5
109.10120	6.2
116.06203	1.4
117.06987	6.1
119.08565	37.9
121.06460	1.2
121.10141	8.2
123.07999	0.9
123.11675	1.2
129.06937	1.8
130.07771	1.5
131.08548	25.6
133.10114	48.6
135.08054	0.9
139.78180	1.0
143.08530	3.2
144.09279	2.6
145.06425	2.1
145.10100	32.4
147.08076	1.4
147.11670	6.6
149.05965	1.3
149.09657	2.0
151.07454	3.2
157.10089	4.9
158.10841	1.3
159.08038	3.9
159.11667	29.0
161.13255	5.7
163.07516	6.3
165.09090	2.6
172.12411	1.5
173.09560	4.6
173.13225	12.8
175.03865	2.6
175.14786	1.1
177.09085	29.3
179.10536	2.3
183.11617	1.3
186.13989	1.4
187.11191	4.5
187.14787	1.5
191.10648	5.1
201.16359	100.0
202.16631	2.5
203.17964	7.8
205.12267	1.4
211.14755	1.5
219.17398	3.4
229.12251	2.3
229.15863	13.9
247.09645	1.9
247.16885	30.5
247.20572	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1687
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03933	0.6
54.60323	0.6
55.01848	0.7
55.05496	4.6
57.07062	1.7
58.59361	0.5
60.61123	0.5
60.65259	0.5
67.05492	3.6
69.07045	3.8
71.41462	1.4
79.05478	3.7
81.07049	7.3
83.08596	2.4
91.05460	7.2
93.07018	11.0
95.04935	0.7
95.08583	9.0
97.06522	0.7
97.10106	0.6
98.98455	2.3
99.04408	0.7
105.07008	14.9
107.08576	13.6
107.09322	0.5
108.08877	0.7
109.06489	1.6
109.10138	4.0
109.20702	0.5
111.08078	0.7
115.05447	0.8
117.07007	4.5
117.11451	0.5
119.08560	21.4
121.06540	0.5
121.10126	5.5
123.08063	0.8
123.11671	1.0
124.14721	0.6
125.05959	0.6
129.06970	1.4
130.07751	1.3
131.08537	16.0
133.10101	24.1
134.34830	0.6
135.04431	0.6
135.08022	0.9
135.11647	1.6
137.09584	0.7
137.13312	0.7
139.07486	1.7
143.08501	2.8
144.09302	1.6
145.06474	1.2
145.10098	28.3
147.04353	0.7
147.07980	0.6
147.11641	5.7
149.05952	1.1
149.09584	1.5
149.13260	0.9
151.07484	1.3
155.08495	0.7
157.10121	2.1
159.08022	2.0
159.11664	20.1
161.09592	0.6
161.13205	4.7
163.07539	2.6
163.11197	0.8
165.09114	1.1
169.10127	1.1
171.11665	1.5
173.09595	2.2
173.13220	9.0
175.03870	3.3
175.11287	0.6
175.14801	1.7
177.09094	8.5
179.10669	1.9
183.11688	1.3
186.13988	3.3
187.07579	0.8
187.11137	2.6
187.14836	0.9
189.09166	0.7
191.10660	1.8
196.35135	0.5
197.38609	0.6
199.14755	1.0
201.16348	100.0
202.16661	1.6
203.17926	3.2
205.12262	1.0
211.14816	0.9
219.17363	4.1
229.08643	1.1
229.12195	2.3
229.15814	4.6
232.12300	0.7
247.09630	2.2
247.13179	1.4
247.16879	24.4
247.20735	1.2
247.24489	0.7
248.17145	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1689
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
52.98704	1.1
55.05502	11.6
57.07059	4.8
62.69349	1.1
62.88594	1.2
67.05505	5.5
69.07059	8.1
71.06546	1.5
71.06914	2.8
79.05491	7.2
81.07045	10.0
83.08587	5.3
85.06561	1.2
91.05472	19.9
93.07027	24.3
95.04979	1.8
95.08597	18.0
97.10170	2.0
99.08047	1.1
105.07012	32.1
107.04966	1.2
107.08575	25.3
109.06518	2.8
109.10127	7.3
111.08078	1.3
114.90324	1.2
115.05443	1.8
116.06208	1.9
116.10971	1.1
117.07014	9.2
119.08566	47.9
120.08857	1.2
121.06518	1.5
121.10113	12.3
123.08097	1.2
123.11722	2.1
125.05966	1.4
125.09625	1.1
128.06158	1.7
129.06995	3.0
130.07774	3.2
131.08551	39.0
133.06491	1.7
133.10109	58.9
134.07532	1.0
135.08032	1.7
139.07494	1.9
142.07741	1.1
143.08540	4.7
143.78592	1.2
144.09348	2.7
145.06506	2.0
145.10107	41.1
147.11664	10.7
149.09590	2.6
151.07503	5.1
153.09076	1.5
157.10127	5.2
158.10933	2.0
159.08092	5.5
159.11665	39.3
161.13223	7.7
163.07552	9.2
165.09090	2.8
171.11694	2.1
172.12477	1.5
173.09593	6.8
173.13254	16.6
175.03830	5.5
175.11227	1.4
175.14813	3.0
177.09087	38.4
183.11649	2.5
186.14063	1.8
187.11189	6.8
187.14836	2.6
191.10600	5.3
201.16359	100.0
202.16681	2.5
203.17909	9.3
205.12199	2.4
211.14804	2.0
219.13750	1.5
219.17479	4.1
229.08676	1.8
229.12141	5.2
229.15791	11.8
247.05934	2.3
247.09683	3.4
247.13306	3.6
247.16904	28.3
247.20668	3.0
259.01089	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1327
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03934	5.0
55.01834	2.0
55.05493	7.0
57.03422	1.7
57.07049	3.0
65.03916	4.5
67.05503	10.6
69.03086	2.1
69.03419	21.3
69.07059	7.8
71.04975	2.4
71.25598	3.8
79.05475	10.3
80.02515	1.5
81.03381	2.3
81.07049	17.9
83.04963	20.1
83.08583	2.1
85.02916	1.8
85.06495	4.6
91.05465	17.8
93.03367	4.2
93.07036	18.7
95.04935	7.9
95.08603	12.7
95.90434	1.5
97.02891	7.4
97.06478	2.8
97.10176	1.5
103.05476	2.0
105.03434	1.6
105.07008	19.5
107.04910	3.4
107.08581	25.5
109.02866	12.5
109.06518	11.4
109.10141	7.0
111.04407	6.4
111.08080	2.4
115.05441	7.2
117.06989	14.8
119.04874	2.6
119.08567	28.0
121.02847	5.1
121.06472	16.7
121.10108	13.9
123.04398	1.5
123.08035	3.1
123.11698	2.1
125.05983	2.6
125.09524	2.0
127.16176	1.4
128.06213	5.2
129.06967	9.9
130.07773	2.4
131.04895	2.5
131.08551	25.4
132.05701	2.7
133.06451	2.8
133.10094	16.9
135.08032	28.1
135.11647	5.3
137.05925	4.1
137.09566	3.5
139.03925	2.3
141.06946	3.4
142.07729	3.6
143.08540	13.9
144.09297	7.9
145.06470	12.2
145.10127	21.9
147.04388	2.4
147.07999	6.0
147.11696	3.7
149.05989	2.4
149.09613	20.9
149.13251	2.7
150.10225	2.7
151.07507	2.3
151.11168	3.4
153.06952	4.3
155.08501	7.5
157.06438	2.5
157.10068	5.3
158.07237	2.7
158.10886	10.9
159.08020	15.0
159.11668	35.9
160.08800	4.9
160.74155	1.7
161.09576	6.8
161.13191	3.1
163.07527	22.5
163.11186	3.1
163.14769	2.7
165.09093	3.0
168.09322	5.4
169.10081	4.0
170.10895	3.9
171.08020	7.3
171.11604	2.3
172.08833	15.0
173.09607	29.7
173.11867	2.6
173.13239	39.0
175.03903	8.0
175.07468	2.9
177.09084	1.8
177.16295	2.0
181.06410	2.4
183.11676	14.2
185.09541	2.9
185.13225	1.9
186.10374	19.7
186.13940	3.1
187.07558	5.1
187.11157	100.0
187.14796	3.3
189.09091	6.9
191.07008	40.5
196.08792	5.0
201.09079	2.7
201.12726	56.6
201.16367	44.1
202.13007	2.4
202.16797	1.8
203.14403	2.1
205.12236	6.6
211.11119	12.3
214.09810	2.8
219.13779	5.9
219.17363	2.5
229.08533	2.9
229.12230	74.3
229.15863	4.8
229.19493	3.1
230.12376	1.8
247.09608	5.6
247.13252	88.2
247.16887	15.8
247.20448	4.0
247.24187	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	247.1326
Annotation	Loxoprofen
Peak:m/z	Relative Intensity
50.08024	1.2
52.61667	1.0
52.85907	1.0
53.03934	4.8
55.05512	5.4
56.87459	0.8
57.77302	1.0
65.03940	5.1
67.05491	4.9
68.99793	1.2
69.03090	1.5
69.03424	19.1
69.07066	2.5
70.85622	3.8
79.05491	9.6
80.15648	1.0
81.03426	1.4
81.07053	10.3
83.04507	1.5
83.04970	18.6
85.06547	1.1
87.10644	1.0
91.05463	20.0
93.03397	4.2
93.07036	13.0
95.04946	6.3
95.08584	3.8
95.43587	1.1
97.02869	6.8
97.06522	1.5
98.98435	2.7
103.05460	1.8
105.07033	15.1
107.04945	3.0
107.08586	17.5
109.02873	12.2
109.06502	12.5
109.10133	3.6
111.04427	5.9
111.08018	1.9
115.05461	3.8
117.07004	11.5
119.08558	17.6
121.02880	4.5
121.06493	17.1
121.10155	6.9
123.08076	2.8
125.05941	1.4
127.93884	1.2
128.06206	4.2
129.06990	6.3
130.07782	2.6
131.08540	21.5
132.05699	2.9
133.06479	3.3
133.10110	9.7
135.08038	25.7
137.05965	4.8
137.09596	3.7
137.36299	1.0
139.03864	2.4
141.06956	3.9
142.07758	3.1
143.08560	10.9
144.05727	1.2
144.09331	10.3
145.06474	13.1
145.10106	12.5
147.07999	5.3
147.11691	1.4
149.05984	2.5
149.09602	20.4
150.10362	3.2
151.07605	1.2
151.11174	4.2
153.06981	2.9
155.08533	5.4
157.06485	2.0
157.10141	3.7
158.07277	3.3
158.10899	10.0
159.08054	13.7
159.11676	25.7
160.08792	3.8
161.09601	5.9
163.07532	17.4
163.11159	3.3
165.09076	2.0
167.08601	1.2
167.46278	1.3
168.09337	6.4
169.10118	4.7
170.10921	5.9
171.08081	6.8
172.08826	17.3
173.06001	2.4
173.09604	29.2
173.13243	29.3
175.03899	3.7
175.07478	2.0
177.05345	1.4
177.09123	2.1
178.07829	1.1
181.06534	2.5
183.11679	11.3
185.09595	2.1
185.13177	1.8
186.10376	22.6
187.07576	3.9
187.11166	100.0
188.11562	2.7
189.05443	1.3
189.09093	3.9
191.07014	36.7
192.07260	1.4
196.08865	6.5
199.07550	3.4
201.09082	3.6
201.12723	52.2
203.07095	1.1
203.14317	1.7
205.08536	1.1
205.12247	5.5
211.11159	11.4
214.09886	2.5
219.13802	4.8
229.08540	3.3
229.12215	60.0
229.71185	1.1
230.12509	2.1
247.05995	1.5
247.09624	4.9
247.13286	67.1
247.17047	2.2
248.13560	1.3
262.80411	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69478	1.4
56.96546	2.5
58.99831	1.4
69.45965	12.2
69.46373	3.2
72.08139	5.1
72.56878	1.4
97.02856	1.3
97.50633	1.4
98.20706	2.6
99.06579	1.3
101.00872	13.7
103.00631	2.4
115.02405	4.6
119.01904	39.8
121.01657	3.4
124.08324	1.4
131.01898	3.6
133.01608	1.4
133.03477	5.7
137.02930	9.7
143.01981	1.6
143.08519	1.7
144.99817	3.2
145.03448	3.0
157.01643	2.0
161.02965	4.5
162.99109	1.7
163.02606	2.3
168.99826	4.7
173.02954	2.2
175.02750	2.3
186.99445	1.5
187.00786	7.6
187.02359	1.8
187.11125	2.5
196.99338	1.7
201.02429	2.4
201.12578	2.0
205.02007	1.9
215.00365	15.4
229.01102	2.5
229.03204	32.9
229.12234	2.7
233.01514	2.0
247.04262	100.0
247.13083	1.8
251.02408	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
55.05500	1.5
56.96558	100.0
57.03437	1.4
58.99861	0.8
60.08181	0.7
61.02919	1.9
63.47816	0.5
69.03447	3.0
69.07072	0.6
69.32820	0.5
69.75616	3.7
70.06591	0.8
70.98108	12.9
71.95262	1.2
72.08143	10.8
73.02921	1.0
74.97597	6.4
81.03430	1.3
81.07034	0.8
84.04505	5.3
84.08152	2.0
84.96023	7.2
85.02905	3.6
85.97803	0.5
86.09692	6.1
86.97609	2.7
88.07589	1.0
88.99149	7.4
97.02904	2.4
97.99202	0.9
98.97565	6.3
100.07651	0.7
100.99133	8.3
101.00859	5.4
102.97040	0.9
103.00637	3.7
103.02448	2.2
104.10732	13.5
105.07048	0.6
106.43643	0.7
107.00208	2.2
109.02904	0.9
109.43842	0.6
110.97561	3.8
111.04451	0.9
112.95515	0.8
115.02437	1.7
116.98615	4.9
117.04043	0.6
118.08630	5.7
119.00176	6.3
119.01908	19.3
119.02751	1.1
120.02023	1.1
121.01660	11.5
121.03508	1.2
126.97015	1.3
127.02462	0.8
127.03902	1.0
128.98595	7.6
129.04044	0.7
130.05069	0.7
130.08681	1.7
130.96547	2.7
131.01865	4.0
131.08519	0.6
132.02078	0.6
133.01695	7.2
133.03435	4.4
134.99670	2.7
135.03223	0.8
137.01276	1.1
137.02911	3.9
139.02727	1.1
142.03563	0.8
143.01898	1.3
144.98065	27.1
145.01678	1.5
145.03447	8.1
146.99620	7.1
147.01433	0.8
147.03235	2.6
147.05101	0.9
148.97556	4.5
149.01169	1.1
149.02975	1.3
151.02812	1.2
153.05881	0.8
155.01976	2.5
157.01607	3.5
157.03418	3.3
158.03645	0.8
158.99626	1.0
159.03270	1.7
159.05066	1.0
161.01294	2.3
161.02895	4.5
161.04903	1.0
162.99130	37.6
163.02681	3.2
163.04509	1.4
165.00731	1.5
165.04178	0.7
166.98578	1.4
167.02190	0.8
168.99892	1.1
171.01372	1.2
173.03023	5.3
173.04630	0.8
175.02716	4.6
175.04434	3.8
176.04732	0.7
177.00748	2.4
177.02240	0.7
177.04269	1.0
179.02357	1.5
181.00172	16.1
184.09703	0.7
185.03011	1.5
186.00772	1.4
186.99155	2.3
187.00902	1.7
187.02786	6.2
187.04546	1.6
189.02539	1.5
190.52852	0.7
191.02310	0.7
193.00281	1.6
199.01221	1.6
199.02882	2.2
201.02524	2.3
201.12595	1.7
204.45520	0.6
205.00172	30.1
205.03926	2.3
205.05632	1.2
207.03442	1.2
212.07661	1.3
215.00432	2.7
217.02037	2.0
217.03891	0.6
219.01796	0.7
221.05226	2.0
223.01228	63.8
224.01804	0.9
224.04083	0.9
228.01939	1.9
229.03346	2.6
229.12260	1.0
241.02267	8.4
245.05103	0.8
246.02905	3.0
247.04466	14.0
247.06747	4.2
247.13222	1.4
247.16380	1.0
247.18616	1.3
265.08047	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01860	0.4
55.05507	1.5
56.96555	100.0
57.03422	0.8
57.07067	0.3
57.67994	0.3
61.02911	0.4
67.05495	0.7
69.03427	1.4
70.06573	0.6
70.98108	10.9
71.04977	0.4
71.42632	0.7
71.95254	0.7
72.08147	2.3
73.02908	0.7
73.06536	0.9
73.77396	0.3
74.97591	7.0
74.98001	0.5
79.05480	0.6
81.03391	2.7
81.07056	1.3
83.04970	0.7
84.04488	1.0
84.08118	1.8
84.96024	5.2
85.02881	1.6
85.06512	0.6
85.07635	0.3
85.61839	0.3
86.09711	1.6
86.97588	1.2
87.04449	0.3
88.03990	0.6
88.99149	7.4
91.05457	1.2
92.98661	1.0
93.07044	1.0
95.04956	1.6
97.02878	1.5
97.99184	1.0
98.97564	7.3
99.04459	0.6
100.07633	0.6
100.99126	6.5
102.05546	0.3
102.97073	0.9
105.07043	1.0
107.00157	3.0
107.04911	0.5
107.08533	0.4
109.06524	0.9
110.97547	3.1
111.04434	1.1
112.95511	0.6
115.00671	0.6
116.00127	0.5
116.98601	5.7
117.07021	0.5
118.08618	0.8
119.00164	8.3
119.01868	0.6
119.04924	0.6
119.08611	0.4
121.06482	1.1
123.04402	1.2
126.97036	0.7
127.03838	0.6
128.06250	0.8
128.98586	8.9
128.99501	0.6
129.06999	0.3
130.05072	0.3
130.08623	0.6
130.96504	2.6
131.08569	0.9
132.10175	0.6
133.01730	3.8
133.06537	0.3
134.99644	3.9
135.00639	0.6
137.01208	1.7
137.05971	0.5
143.00171	1.0
143.08559	1.1
144.15060	0.3
144.98065	19.2
145.06476	0.6
145.10138	0.6
146.04071	0.5
146.54199	0.4
146.99620	10.1
147.03244	1.0
147.04321	0.6
148.97563	4.5
149.01248	0.4
149.05962	0.5
151.02782	1.1
153.00717	0.5
155.04636	3.7
155.54784	3.2
156.04881	0.5
158.01271	0.4
158.99658	1.7
159.11674	0.5
161.01189	3.5
161.02606	0.5
162.99121	35.9
164.05182	1.6
164.55354	0.7
164.99458	0.6
165.00711	4.5
165.04340	0.8
166.55479	1.1
166.98651	1.7
167.05664	0.7
167.06961	0.5
168.09286	0.6
170.01219	0.6
173.06000	0.5
174.99118	0.6
175.02574	0.5
175.03937	1.3
175.43132	0.3
175.56015	0.6
177.00699	2.4
179.02263	1.1
181.00171	17.6
182.05022	0.4
183.11630	0.9
186.00720	1.4
186.98996	2.1
187.11188	1.6
189.09113	1.1
191.55876	0.4
199.01237	2.4
201.12636	1.5
204.01740	1.3
205.00169	28.1
207.05246	0.5
210.06355	0.4
211.11163	0.4
219.01747	0.6
222.02972	0.4
223.01221	64.1
224.01596	0.4
228.01698	2.4
229.08684	0.6
229.12206	2.1
237.02811	1.3
237.57100	0.5
238.07719	0.8
241.02255	8.4
244.59505	0.3
246.02829	3.3
246.57751	0.5
247.01105	2.0
247.05997	0.5
247.09740	1.1
247.13078	1.8
247.16223	0.4
247.18376	0.5
247.20447	0.5
265.02277	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	10.6
57.07053	6.3
59.31558	2.1
67.05506	13.0
67.05789	2.3
69.07064	21.5
72.40199	2.4
77.61394	2.4
79.05473	8.8
81.07047	35.5
83.08597	8.1
91.05434	7.2
93.07038	25.3
95.08591	37.9
97.10152	6.1
105.07034	19.7
107.08580	32.0
109.10145	25.1
117.05455	3.0
119.08575	27.2
121.10125	30.4
123.11681	17.6
131.08591	2.4
133.10121	19.1
135.11685	16.9
137.13214	9.4
147.11687	16.6
149.13242	43.4
154.42982	2.4
161.13254	13.8
163.14830	21.2
175.14798	29.4
189.16360	23.5
189.48271	2.3
203.17928	9.2
217.19267	2.7
240.05409	2.5
245.08147	3.3
245.22623	100.0
257.21915	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	246.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
53.71192	0.4
55.01869	1.6
55.05505	8.3
56.05027	0.9
56.96558	100.0
57.03423	2.1
58.06594	1.6
60.04531	0.4
61.02918	2.1
64.89751	0.3
65.03934	1.4
65.46156	0.4
67.05484	2.6
68.05042	0.4
69.03422	6.4
69.12775	0.3
70.06596	2.0
70.06911	0.4
70.18913	1.5
70.98114	7.9
71.01354	1.7
71.04979	1.2
71.95258	1.3
72.08141	3.0
73.02907	2.8
73.06549	8.1
74.97593	8.0
74.97991	0.5
79.05489	3.7
81.03407	10.5
81.07050	3.6
82.03738	0.5
83.04973	2.6
84.04502	1.7
84.08133	5.3
84.96025	6.6
85.02895	6.2
85.06541	0.5
86.06055	0.5
86.09689	2.7
86.97594	1.1
87.04475	1.1
88.99146	5.7
91.05457	4.4
92.03120	1.0
92.98644	1.1
93.07048	0.6
94.06548	0.4
95.04956	4.6
96.08100	0.5
97.02877	7.1
97.99180	1.4
98.06063	0.4
98.21410	0.4
98.97569	21.1
99.04439	1.3
100.07598	5.6
100.99128	4.6
102.03347	0.5
102.05547	1.1
102.97058	1.4
103.05487	0.5
104.03138	0.5
104.07088	1.0
105.07012	0.4
107.00182	3.4
107.04929	2.4
109.02879	1.5
109.06505	2.7
110.01263	0.5
110.03100	0.5
110.06020	0.4
110.97557	4.1
111.01984	0.3
111.03763	0.6
111.04442	5.1
112.07626	0.4
112.95477	0.4
112.99124	0.6
114.04771	0.4
114.05482	2.2
115.02329	0.7
115.03970	0.4
115.08668	1.5
116.00221	1.0
116.01958	0.6
116.07096	0.4
116.98607	16.7
117.03880	0.8
117.10240	2.6
118.03528	0.4
118.08624	0.8
119.00164	7.9
119.01829	2.9
119.03591	1.1
119.04904	2.9
120.51726	0.4
120.98006	0.4
121.02888	0.5
121.06477	0.9
123.04407	4.2
124.02795	0.5
124.07600	1.1
125.03590	0.5
125.06023	0.7
126.09154	1.9
126.91492	0.4
126.97034	0.5
127.03914	1.4
128.02306	1.4
128.98587	10.1
129.02200	0.8
129.10208	1.4
130.05002	0.7
130.08652	0.9
130.96524	1.5
131.00137	0.9
131.01883	0.9
133.01707	3.7
133.03387	0.6
134.01233	1.0
134.02925	1.9
134.99643	8.2
135.04416	1.3
136.02742	0.5
137.01208	1.5
137.02742	0.6
137.05981	3.3
138.02530	0.6
139.03926	1.8
140.00201	0.8
140.04126	0.5
142.01735	0.6
142.02756	0.5
142.04936	0.4
143.00153	1.8
143.01845	0.6
143.08182	1.2
144.98065	13.7
145.01723	0.7
146.04080	4.9
146.99640	11.3
147.03271	4.5
147.04416	2.1
147.11293	0.9
148.97574	4.7
149.01172	1.0
149.05951	0.6
150.05406	0.4
150.99030	0.4
151.02818	0.7
152.00247	0.6
152.02222	0.6
153.00716	0.8
153.05437	1.2
155.04633	46.2
155.54787	3.7
156.03365	0.5
156.10179	0.9
157.03339	0.6
158.01170	0.8
158.99628	9.9
160.02879	0.5
160.04530	0.7
161.01213	4.4
161.02914	0.6
162.95377	2.1
162.99129	30.8
163.02776	1.5
164.05164	14.6
164.55336	0.9
165.00714	5.9
165.04320	4.5
165.05495	3.5
166.55443	8.3
166.98694	2.0
167.05630	1.2
167.06973	0.4
169.03374	0.6
170.99626	1.0
171.03185	1.0
173.01147	0.5
174.03052	0.5
174.99254	0.5
175.02812	0.4
175.10695	0.6
175.56001	1.4
176.02293	0.6
177.00685	11.1
178.01112	0.5
179.02319	1.3
180.03650	1.1
180.96457	1.1
181.00174	18.2
181.01784	0.9
181.03465	1.0
182.08191	0.4
183.01781	0.6
183.05147	0.4
183.06610	0.9
185.01221	0.7
186.00746	1.9
186.02231	0.4
186.04399	0.6
186.99141	1.6
187.04515	0.5
187.11092	0.4
188.09198	0.5
189.00737	1.1
189.04292	2.5
191.02197	0.5
191.05704	5.3
191.55891	0.9
192.03613	1.0
193.03647	0.6
195.01747	1.1
195.04982	1.0
197.01183	1.2
198.97395	0.6
199.01228	2.5
200.02330	0.7
200.09164	0.6
200.12793	0.6
201.00723	0.9
201.04199	1.5
201.05872	0.6
202.10762	2.3
203.05742	0.8
204.01796	1.5
204.03488	0.7
204.05357	0.8
205.00174	25.8
207.01770	0.5
207.05258	0.9
210.04755	0.6
211.02724	0.9
213.00650	0.5
213.06053	0.5
214.06685	0.5
215.05695	0.8
218.10181	1.2
219.01730	2.8
221.01221	0.6
222.02898	0.5
222.06461	1.3
223.01228	52.5
223.04301	2.4
223.07222	1.8
223.57413	0.4
224.06247	1.2
228.01759	2.7
228.06479	1.4
228.12297	0.9
228.56674	0.8
231.05165	0.5
237.02849	5.4
237.06940	5.2
237.57155	0.5
239.02228	1.2
240.98418	0.7
241.02225	6.2
241.05736	0.5
246.02704	3.1
246.05164	0.9
246.07648	6.1
246.09871	0.8
246.13388	4.8
246.15610	1.2
246.17999	5.4
246.57581	1.0
247.01143	1.4
247.08208	0.6
247.13358	0.5
257.03247	0.8
265.02200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01863	1.9
55.05505	39.4
57.03431	3.3
57.07065	3.4
59.78770	1.3
65.03939	2.6
67.05497	90.0
68.05848	1.9
69.03419	4.7
69.07061	26.8
69.45807	10.5
69.46237	2.6
71.04987	63.4
71.08607	2.5
72.08147	11.9
75.04451	2.1
79.05486	33.1
80.05013	1.7
81.03410	1.7
81.07047	79.3
83.04977	3.0
83.08607	26.0
85.02908	2.1
85.06540	16.2
86.09692	10.2
91.05470	9.8
93.07036	38.3
95.04946	4.1
95.08593	100.0
96.06302	1.2
97.06509	5.0
97.10157	13.5
99.08079	3.8
103.05386	1.2
105.07016	3.3
107.08582	22.8
107.09319	1.2
109.10146	70.0
109.18785	1.1
110.10517	1.8
111.08081	3.8
111.11691	2.8
113.09613	2.5
115.05443	1.5
117.05484	1.4
119.08556	3.2
121.06431	1.4
121.10136	38.6
123.11701	13.7
125.09609	4.1
127.11256	1.3
128.06183	2.7
129.06999	2.0
131.08542	2.0
133.10124	1.5
135.04462	1.2
135.11673	30.8
137.13245	2.5
139.11124	2.1
139.61493	1.2
141.07008	1.4
142.03172	6.9
143.08546	2.7
145.06490	1.2
145.10100	1.7
146.11723	5.9
147.08044	1.9
149.13272	9.3
153.06999	1.4
157.06528	1.8
157.10190	1.6
161.06018	1.6
163.14835	3.4
170.02710	1.5
171.08070	2.4
171.11745	1.7
178.72459	1.3
180.07278	2.2
187.07565	1.4
189.09105	1.7
191.17911	13.1
199.07547	2.2
199.11118	1.9
209.11630	1.3
209.18935	10.8
217.08685	2.7
227.07018	2.6
227.10542	1.6
227.20038	24.3
245.04649	1.3
245.07976	7.8
245.11578	5.5
245.15387	3.9
245.18852	2.8
245.21048	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	245.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01848	6.7
55.05506	22.3
57.03419	3.0
57.07064	2.6
59.13058	1.7
60.61228	1.7
67.05497	39.5
69.03413	4.4
69.07058	100.0
70.06563	2.2
71.04611	2.1
71.04987	21.8
71.50549	3.2
73.06550	3.9
79.05482	24.9
80.05006	15.5
81.03387	3.0
81.06602	3.3
81.07047	45.9
83.04952	7.1
83.08603	8.7
85.06532	6.5
86.09698	4.6
91.05463	8.2
93.07031	38.4
95.04934	3.3
95.08594	45.0
96.04462	2.0
97.06510	17.8
97.10159	11.3
98.97559	2.6
99.08115	1.8
103.05492	1.7
105.04502	1.8
105.07014	6.4
107.04883	1.9
107.08555	12.7
109.02863	2.0
109.06501	2.9
109.10148	23.5
111.11694	4.3
114.03738	12.4
115.05407	2.2
117.07029	2.9
119.08562	6.0
121.02785	2.0
121.10130	30.3
123.11671	4.7
125.09623	7.3
128.06233	4.4
128.38075	1.7
129.06992	4.7
131.08571	5.1
133.10094	2.8
135.08047	2.2
135.11685	12.3
137.13263	2.4
139.11151	8.5
142.03203	74.5
142.07745	2.3
143.08514	7.6
145.10124	4.3
147.04327	2.1
147.08081	2.3
149.13248	7.4
156.09317	2.3
157.06422	3.2
157.10110	3.7
159.08035	1.7
163.14812	2.5
169.06503	1.8
170.02699	13.0
171.07974	4.2
171.11659	3.8
173.05974	2.7
175.07547	2.9
181.06441	2.1
185.05994	3.4
185.13242	5.2
191.17902	5.7
199.05525	2.8
199.07460	1.9
199.11087	3.2
199.14735	2.5
209.19005	6.6
211.94482	2.3
217.08543	5.1
227.07069	2.3
227.10742	2.6
227.20010	91.1
228.20340	2.9
245.07932	14.4
245.11668	9.7
245.15382	8.6
245.18903	3.8
245.22742	4.1
246.11325	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.7
55.01860	5.9
55.05503	84.1
57.03431	30.7
59.04977	2.5
67.05492	22.3
69.03425	9.1
69.07056	13.4
79.05485	22.7
81.07046	21.1
83.04961	6.0
83.08606	46.8
85.06512	2.6
87.04430	2.2
91.05467	9.0
93.07044	10.2
95.04955	1.5
95.08578	4.0
97.10154	98.2
98.20573	2.3
101.09672	2.3
105.07011	4.4
107.07922	2.3
107.08582	29.7
109.06496	1.4
109.10126	4.5
111.08043	3.3
117.06984	2.9
119.08535	3.9
121.10156	2.5
123.04388	1.2
125.09616	100.0
131.49718	1.1
133.10100	3.5
135.08020	8.2
136.13037	1.2
138.66698	1.2
143.10616	6.2
145.23897	1.5
147.11656	3.5
153.09088	6.0
161.13216	1.8
163.14764	2.0
171.10138	7.1
171.11432	1.3
175.14728	1.8
184.68546	1.3
189.11189	90.8
190.11620	1.6
229.46127	1.6
245.13789	66.6
245.22580	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	245.1857
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
53.03938	0.3
55.01861	0.5
55.05500	0.8
56.96564	0.3
57.03429	0.3
58.99590	0.2
65.03915	0.4
67.05499	0.6
69.03426	1.1
69.07050	0.8
70.06586	0.6
71.04982	0.4
71.69931	0.4
79.05487	1.2
80.05007	1.2
81.03405	1.0
81.07036	0.8
83.04987	0.5
85.02884	0.6
86.09695	100.0
87.04446	0.3
87.10038	0.6
91.05474	0.9
93.07048	0.9
95.04960	0.8
96.04546	0.2
97.02901	0.6
97.06527	0.7
98.97556	0.4
99.04457	0.3
105.07008	1.5
107.04963	0.3
107.08578	0.7
109.02891	0.6
109.06511	0.6
111.04443	0.4
114.03740	0.8
115.05457	0.4
116.07101	0.3
116.98615	0.3
117.07024	0.5
119.04945	0.3
119.08578	0.7
119.41916	0.2
121.02846	6.7
121.06517	0.5
121.10124	0.3
123.04410	0.5
127.03873	0.3
128.06238	0.9
129.06999	1.2
131.08502	0.6
132.10187	3.2
133.02814	0.3
133.06425	0.4
133.10132	0.4
135.04486	0.2
135.08040	0.9
137.05962	0.3
141.07005	0.5
142.03201	6.5
142.07819	0.5
143.08536	1.6
145.06433	0.6
145.10107	0.4
147.08070	0.5
149.05994	0.4
155.08504	0.4
156.09309	2.1
157.06505	0.8
157.10144	1.1
158.07336	0.3
159.08055	0.7
159.11699	0.7
161.06004	0.5
161.09648	0.7
165.07025	0.4
169.06517	0.8
170.02707	1.3
171.07991	0.6
171.11656	1.9
173.05983	0.3
173.09637	1.5
175.07530	0.5
175.11241	0.3
181.10089	0.5
183.11708	0.3
184.08856	1.1
185.05988	0.6
185.09616	0.9
185.13220	0.3
186.10345	0.4
187.07559	0.3
187.11266	0.4
189.09084	0.6
189.12881	0.3
199.05536	0.2
199.07445	0.6
199.11150	4.8
199.12741	0.4
199.17943	1.4
201.12694	0.5
203.07094	0.8
203.10567	1.2
209.09706	0.4
212.08311	0.5
217.08681	0.5
217.12192	1.4
227.10677	1.9
233.36986	0.2
245.08008	1.2
245.11636	5.6
245.15521	0.6
245.18546	3.2
246.07559	0.4
246.11192	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	245.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22640	0.6
55.01865	1.2
56.96557	11.3
57.03419	1.7
58.99855	2.8
61.02913	2.2
63.45831	0.6
68.98280	1.7
69.03409	4.4
70.06560	3.2
70.98127	1.0
70.99849	1.9
71.24798	1.5
71.95252	1.4
72.08141	1.3
73.02904	2.1
77.00893	4.2
81.03411	4.6
82.99854	2.0
84.04475	1.2
84.08120	1.7
84.95993	0.6
85.02892	6.1
86.03194	0.7
86.06055	0.6
86.99320	2.6
87.04459	1.5
88.99170	0.7
89.00848	1.5
90.48663	0.6
94.99839	0.9
97.01464	0.7
97.02872	6.8
98.97557	6.0
99.04429	1.1
100.02480	0.9
101.00866	33.0
102.00939	1.2
103.00619	1.0
103.02426	2.2
104.10741	2.4
105.00360	3.0
105.02169	0.9
109.02861	2.7
110.04755	1.0
111.02884	0.9
113.00833	5.2
113.03496	1.0
115.02414	5.1
116.07075	0.8
116.98601	6.1
117.03963	1.0
118.01063	0.8
119.01902	100.0
120.01971	4.8
121.01620	1.5
121.03468	1.5
124.95457	1.2
125.07104	2.4
127.02395	3.2
127.03929	2.5
128.98607	0.8
129.03973	3.1
131.01884	28.0
132.01939	1.4
133.01680	3.0
133.03445	8.6
134.99683	3.1
137.01929	1.0
137.02936	15.5
137.04643	0.7
139.02467	2.0
142.03496	3.4
142.96550	1.3
143.01886	16.8
143.02962	0.9
144.02577	0.7
145.03436	25.9
146.03624	2.0
146.99625	0.9
147.01361	3.3
147.03200	0.8
147.05002	3.6
149.01120	1.7
149.02950	4.3
151.02628	0.6
151.04495	1.9
153.00754	0.8
153.03745	0.7
154.03545	0.7
154.04715	2.1
154.54839	4.3
155.01868	33.1
155.04671	2.5
156.02667	1.3
157.03459	19.2
158.03563	1.7
159.03224	1.0
159.05006	3.9
160.97591	1.5
161.02936	33.6
162.03076	1.2
163.02737	0.9
163.03107	1.0
163.04417	6.3
163.55414	3.0
164.05167	2.9
165.04222	1.0
167.01862	8.7
169.03430	3.1
171.04988	6.2
173.02946	50.1
174.03119	1.5
175.04520	10.0
177.02428	1.1
177.06065	1.4
179.01872	5.0
179.04128	0.9
180.04929	0.9
181.03598	0.8
181.05548	1.4
183.05223	0.8
184.04486	2.0
184.06065	0.8
185.02931	61.3
186.03094	1.8
187.02870	1.0
187.04483	7.2
188.97023	5.6
189.02412	1.3
191.03989	2.4
193.00157	2.0
193.01912	0.7
195.11325	1.0
196.04538	2.7
197.02943	24.3
198.03047	1.2
199.04474	2.1
201.06076	0.8
202.98581	2.0
203.02330	0.9
203.03976	20.4
204.04094	1.4
205.03645	0.7
205.05594	2.2
206.05713	3.0
206.98090	3.6
207.05305	1.4
208.04561	3.4
215.03973	6.8
217.05574	1.5
220.99690	0.8
221.02957	1.4
221.05032	14.9
222.03062	0.6
222.05228	3.8
227.03979	3.4
227.10236	0.7
227.13962	0.8
233.05032	1.3
239.06116	1.3
240.06212	4.0
245.05025	41.3
245.12138	1.4
245.14969	1.9
245.57373	0.7
246.05188	1.5
263.05865	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	245.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00214	0.2
56.96525	0.2
60.95795	0.2
67.05486	0.2
69.03389	0.8
71.04955	0.3
71.34695	0.4
71.35025	0.2
72.32525	0.2
77.00875	0.4
81.03400	0.9
81.07008	0.2
82.99792	0.3
91.00060	0.2
97.02886	1.8
98.97552	0.3
101.00234	0.3
101.00861	4.0
102.96822	0.4
103.00652	0.9
103.02409	0.4
105.00345	0.4
110.95844	0.2
113.00799	0.6
115.02360	0.3
118.00977	0.2
119.01904	24.7
120.01988	1.6
120.97836	0.6
121.01640	6.7
121.02476	0.4
127.03851	0.5
129.03958	0.3
131.00949	0.3
131.01883	2.9
131.05505	0.4
133.03439	0.9
134.99643	0.3
136.99585	0.7
137.02937	8.6
138.02992	0.7
138.98907	0.5
139.02643	2.5
142.03439	1.1
142.98521	0.2
143.01866	5.5
145.03436	2.9
147.01352	0.3
147.04953	0.5
149.02881	0.8
149.06548	0.5
154.03448	0.2
155.00626	0.7
155.01840	1.5
157.03458	4.1
159.01428	0.3
159.04996	0.5
159.07884	0.2
160.04512	0.4
160.99739	1.1
161.02934	22.1
162.03026	0.6
163.04463	0.8
167.01839	0.4
169.03387	0.5
171.05020	0.4
173.02927	3.4
175.04498	3.3
175.08025	0.2
177.00893	1.7
177.02563	0.4
177.09669	0.4
178.01028	2.2
179.00679	25.5
179.03883	1.3
180.00740	0.8
180.04984	0.2
184.04518	1.3
184.99632	0.6
185.02899	3.4
187.04495	2.1
189.06015	0.8
191.03934	1.6
195.03819	0.5
196.04427	0.4
197.03065	2.1
198.06062	0.3
199.00839	0.4
199.04533	1.1
202.02278	0.7
203.00671	1.5
203.03940	3.2
203.11244	0.3
208.04539	0.3
215.03944	1.3
217.01698	0.4
217.05589	1.1
219.01907	0.9
219.03799	4.2
220.02051	1.7
220.03981	0.3
221.01750	30.4
221.05135	1.0
222.01929	2.2
223.01959	0.4
227.00626	2.0
227.03845	1.0
233.05080	0.4
244.03427	0.9
245.01807	7.5
245.05008	13.5
245.12190	1.5
245.14503	0.2
245.22659	0.3
246.05104	0.4
261.03003	0.7
262.04538	0.3
263.02832	100.0
264.02982	3.1
265.03183	0.5
268.03473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.8
55.01847	3.5
55.05492	2.3
56.04998	4.2
56.96560	100.0
57.03432	8.0
58.06585	1.1
58.99846	1.6
59.04995	2.0
60.04502	1.2
60.08143	1.7
60.95825	1.1
61.02920	12.6
62.06072	1.1
65.03913	2.0
66.26733	0.9
67.05469	2.8
68.05006	2.4
68.98284	1.1
69.03424	17.5
69.04520	1.6
70.02934	1.4
70.06218	1.4
70.06580	22.4
70.95244	2.3
70.95609	1.5
70.98117	6.1
71.01330	2.5
71.04968	4.5
71.12608	0.8
71.95257	11.8
72.04502	7.1
72.08147	35.9
72.96009	4.2
73.02899	7.7
74.06072	15.2
74.97575	1.9
77.00880	1.7
79.05482	7.2
80.04996	2.6
80.36932	0.9
81.03413	11.9
81.07006	4.3
82.06547	3.0
83.04984	6.3
83.06062	1.5
84.04470	4.0
84.08125	8.4
84.96036	6.4
85.02895	18.3
85.06514	1.9
85.08464	1.0
86.03195	2.1
86.06028	3.3
86.09688	2.6
86.99290	1.4
87.04430	2.4
88.07589	2.7
88.99122	4.3
91.02293	3.1
91.03923	1.0
91.05463	4.9
93.05810	1.2
93.07011	1.7
94.06536	2.4
95.00700	0.9
95.02429	3.0
95.04957	4.6
96.04461	1.6
97.02323	1.7
97.02881	19.0
97.99173	2.3
98.03227	1.4
98.06016	4.0
98.09642	3.0
98.97569	52.0
99.04423	3.8
99.97903	0.9
100.03918	1.2
100.07581	1.3
100.99134	1.7
101.00866	7.8
102.05560	1.1
102.96859	2.3
103.02350	1.8
103.03909	1.2
105.00315	2.0
106.06509	3.2
107.00095	1.8
107.04951	5.0
108.08082	1.7
109.02207	1.2
109.02857	4.1
109.03966	1.0
109.06483	3.8
110.04800	2.0
110.05990	3.5
110.09650	3.8
110.97552	4.8
111.04451	5.3
111.05520	1.9
112.05079	91.0
112.08663	2.0
112.99066	2.7
113.00820	2.5
113.03480	9.1
113.07115	1.0
115.00617	1.5
115.02391	3.5
115.03930	1.8
115.35616	1.0
116.00184	2.9
116.07034	3.4
116.98613	48.2
117.02027	1.5
118.02741	1.5
118.03491	2.1
118.06485	1.3
119.00108	1.9
119.01083	1.5
119.01904	30.1
119.04904	2.4
120.01994	3.1
120.98024	1.0
121.01627	3.2
121.06483	1.8
122.06004	1.9
123.04365	2.4
124.07545	5.3
124.95468	5.9
125.06017	1.2
125.07040	6.6
126.02424	3.1
126.07433	2.1
126.09089	1.5
127.00625	1.9
127.03957	6.4
128.02290	1.9
128.04250	1.1
128.98573	6.4
129.04007	1.2
130.01741	1.5
130.04866	1.5
130.08606	1.7
131.00157	7.0
131.01894	12.8
131.03464	1.2
132.01944	2.6
133.01636	4.1
133.03413	7.8
133.05070	1.2
134.01239	1.5
134.02942	3.4
134.05954	2.2
134.09569	1.5
134.99644	27.2
135.03152	2.4
135.04350	3.5
136.07578	2.2
137.02873	3.3
137.04611	0.9
137.05945	5.2
137.08307	5.9
139.02472	1.1
139.03864	1.7
140.00204	2.2
140.02237	1.2
140.04344	1.4
140.07021	2.0
140.55029	1.7
141.01251	1.6
141.03000	4.2
141.04816	4.6
142.03523	1.9
142.96530	12.3
143.00124	2.3
143.01903	5.6
143.02841	1.5
144.10167	1.0
144.97987	2.0
145.01646	3.0
145.03442	10.5
145.04955	2.2
146.99615	6.0
147.01360	1.9
147.05095	1.8
148.03806	3.5
148.07545	1.6
148.53979	2.9
149.01227	5.3
149.02878	2.4
149.06621	1.7
150.03435	3.3
151.02649	2.0
151.03818	1.1
152.05620	3.3
152.06880	1.3
152.94907	1.4
153.00642	3.9
153.03989	1.0
153.05579	3.3
153.07820	1.4
153.55843	4.0
154.03760	4.7
154.05679	3.9
154.08635	4.7
155.01891	7.6
155.06917	1.0
155.09328	1.2
155.55431	1.7
156.05135	1.0
157.03444	5.5
157.54524	1.4
158.01189	2.3
158.08096	8.6
158.99585	3.9
159.05025	1.5
160.02805	1.5
160.04504	4.4
160.97552	13.3
161.01349	2.2
161.02892	13.4
161.04355	1.4
161.06567	1.2
162.03136	1.6
162.09087	1.6
162.99109	2.3
163.02719	5.9
163.04341	19.1
163.06285	2.8
163.54521	2.0
164.04414	1.0
164.07004	2.0
165.00653	4.3
165.03970	2.4
165.05403	1.9
166.08513	1.5
166.09694	1.4
167.01984	1.3
169.03314	1.9
170.95988	6.1
171.04904	1.6
172.02751	2.4
172.04549	3.1
172.07132	3.4
172.57368	1.4
173.01485	1.9
173.02950	13.4
173.09113	1.8
174.03084	1.2
174.99199	5.5
175.00520	1.2
175.02779	1.9
175.04434	6.5
177.00662	4.5
177.04047	1.9
178.00967	2.1
178.04918	6.0
178.08505	1.3
178.55017	1.2
178.98572	2.6
179.02054	1.8
180.10089	3.2
181.01688	1.8
181.03560	3.9
182.08047	2.4
183.04984	2.4
184.02884	2.0
184.04674	3.8
184.97537	3.8
185.02980	8.4
187.00420	1.8
187.04448	2.6
188.97052	51.3
188.98773	2.5
189.00584	2.8
189.05957	1.5
190.05708	1.4
190.08588	2.1
190.98586	1.9
191.02203	1.2
191.03941	1.6
193.00198	9.5
193.03465	3.2
195.11214	1.3
196.09654	1.3
197.01205	1.3
197.02866	4.5
198.04343	1.3
199.04468	1.3
201.00809	1.2
201.06013	1.8
202.03802	3.4
202.05627	3.7
202.98645	11.1
203.02158	2.4
203.03957	7.3
205.01636	1.2
205.03671	2.0
206.98106	38.4
207.01584	3.8
208.09657	7.3
209.02951	1.9
209.07933	1.2
211.02753	1.6
211.04529	2.0
211.98625	4.3
213.12190	1.8
214.05701	1.5
215.03883	2.1
216.05374	2.2
219.01712	1.9
220.02083	2.2
220.99725	11.3
221.02890	8.2
221.05002	13.3
222.05113	1.3
223.04555	1.8
224.99083	4.2
226.05568	1.5
226.10385	12.6
227.04063	1.7
227.13837	4.9
229.99567	2.2
230.98090	4.7
237.02721	2.8
239.04256	5.5
239.06067	2.8
244.04593	3.6
244.06714	3.8
244.11728	78.2
244.16470	7.0
245.05078	21.3
245.12236	2.9
245.14635	1.2
248.99060	3.3
257.03186	1.4
262.03070	5.6
262.05432	1.8
262.07950	4.5
263.02960	1.6
263.06003	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.2
55.05492	1.6
55.51690	1.0
56.58773	0.9
56.96270	1.0
56.96556	20.8
57.03428	10.3
58.99852	1.1
59.04992	1.7
60.08138	1.9
61.02614	1.8
61.02918	34.7
68.05017	1.4
69.03426	10.8
69.04550	1.0
70.03743	1.0
70.06268	1.3
70.06584	15.1
70.98092	1.6
71.01340	1.1
71.04974	2.5
71.69267	1.7
71.95252	1.5
72.08147	40.8
73.02915	8.3
74.06060	2.1
74.97632	1.0
77.00890	1.2
77.93714	1.1
81.03391	4.7
82.06577	1.2
83.04974	1.4
84.04487	4.1
84.08128	9.1
84.96028	1.9
85.02890	20.2
85.06517	1.0
87.04451	3.1
88.99131	1.8
90.54063	1.1
91.02336	1.7
95.02446	2.2
96.01551	1.7
97.02874	16.0
97.06513	1.1
98.01268	1.6
98.03225	2.1
98.97568	9.4
99.04435	2.9
100.75233	1.1
100.99146	1.3
101.00839	5.8
102.05544	2.8
103.00645	0.9
103.02357	1.9
104.02477	1.3
107.04939	1.1
109.02880	3.5
110.09662	4.2
110.97599	1.3
112.05078	100.0
112.99104	1.3
113.00864	1.2
113.03487	1.6
113.08365	3.3
115.02417	2.0
115.03935	1.8
116.07109	1.8
116.98619	6.3
117.01978	2.1
117.03999	1.2
118.01033	2.8
119.00132	2.9
119.01897	20.0
120.01939	2.2
121.01637	2.3
123.00177	1.6
124.95481	1.6
125.01783	1.2
125.07085	1.6
126.02503	2.3
127.03925	6.5
128.98595	1.0
129.03975	1.7
129.10249	2.2
130.04980	2.0
131.00186	1.6
131.01888	9.8
131.03697	1.0
132.00706	1.2
132.01936	1.1
132.53578	1.2
133.01654	1.4
133.03450	6.3
134.03638	1.5
134.06035	1.6
134.99612	4.6
137.02971	5.0
137.04732	0.9
138.09152	1.6
140.55040	3.0
141.01279	6.6
141.03069	15.8
141.04723	5.2
141.53204	0.9
142.03444	1.5
142.96458	1.9
143.00072	1.1
143.01877	3.8
143.02827	1.3
145.01619	1.5
145.03407	6.7
145.04979	2.0
146.55101	1.3
146.99594	3.2
147.01320	1.3
147.03145	1.2
147.04944	4.5
148.05115	1.2
149.01157	1.8
149.02917	2.0
149.04721	1.3
150.00630	1.0
150.01791	17.4
150.03577	7.2
150.51889	1.5
152.53822	2.2
153.55832	2.8
154.03568	1.0
154.05624	1.3
155.01860	7.3
155.55504	2.0
156.02655	1.9
157.03500	5.2
158.08105	6.9
158.99620	2.1
159.02309	3.6
160.04878	0.9
160.97525	2.4
161.01083	1.6
161.01683	1.1
161.02960	11.0
161.55627	1.1
162.03084	1.5
162.56511	1.2
163.02684	3.7
163.04402	11.8
163.06165	1.5
165.00688	2.8
169.04495	2.0
171.04968	2.7
171.56071	2.1
172.07127	2.2
173.02956	12.4
174.06339	1.1
174.99052	3.4
175.00729	2.9
175.02592	0.9
175.04500	2.7
176.06018	1.2
177.00623	2.7
177.02283	1.3
178.04886	2.5
179.02148	2.3
181.03537	1.5
181.73611	1.2
182.01512	1.8
183.02324	1.1
183.04993	1.3
184.01280	3.9
184.04620	2.2
185.02908	8.4
187.04483	1.3
188.97037	6.8
189.00647	2.8
189.02425	2.3
189.06142	1.5
190.05684	2.1
191.02090	3.4
191.03868	1.9
193.00159	4.7
196.04530	1.6
197.02968	1.8
198.00769	1.8
198.02693	1.1
200.12239	1.3
202.02679	1.3
202.06154	1.2
202.98634	1.4
203.02226	2.1
203.04001	3.3
205.00084	1.4
205.01830	5.0
205.03622	2.0
206.98189	6.5
208.09660	3.1
211.01202	1.4
214.02184	1.4
214.05765	1.7
216.01778	1.4
219.01753	3.3
220.99658	2.7
221.02945	2.8
221.05051	9.8
222.05182	1.5
223.09177	1.5
226.10776	1.3
226.12030	3.0
227.10289	1.1
227.13907	3.3
232.06784	1.5
235.02928	1.3
235.54942	1.6
237.02757	2.7
239.03909	2.4
239.06070	2.5
244.06827	3.7
244.11604	13.1
244.16660	7.5
245.04987	9.5
262.07898	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23137	1.8
53.03937	3.3
55.01863	30.4
55.05502	21.0
57.03411	6.6
57.07052	2.3
59.04973	3.5
60.53402	2.6
61.02908	2.5
65.03925	2.5
65.66936	2.1
67.05496	100.0
69.03408	8.1
69.06686	4.8
69.07057	90.1
71.04981	78.9
71.69865	2.2
73.02888	4.1
73.06545	4.7
79.05480	29.5
81.03404	3.7
81.07045	62.0
83.04984	11.9
83.08590	8.1
85.02910	2.3
85.06525	22.7
86.44571	2.1
87.04418	2.7
91.05463	32.2
93.07031	40.2
95.04963	8.9
95.08588	82.8
97.02903	2.4
97.06516	38.7
97.10186	3.9
99.04452	3.9
99.08088	14.1
105.07017	14.0
107.08585	24.2
109.06548	3.8
109.10140	50.6
111.08054	21.6
115.07533	4.3
117.06971	2.2
119.08546	16.3
121.10128	26.7
123.08049	4.3
123.11659	5.3
125.08699	3.0
125.09616	60.6
131.08507	2.8
133.10120	14.1
135.11668	7.3
137.09593	9.2
139.11157	8.8
145.10112	2.7
147.11708	10.2
149.13263	2.3
151.11127	2.4
154.07805	2.1
159.11682	4.0
159.48628	2.3
161.13211	4.7
163.14836	3.2
173.11736	6.7
189.16417	6.9
207.17360	10.3
213.18474	2.7
225.14856	3.3
225.18457	34.9
243.06752	2.4
243.11462	3.0
243.13774	3.2
243.19463	4.4
244.09581	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1589
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
51.98316	1.4
53.03930	3.1
55.01861	4.2
55.05502	11.6
56.96539	3.6
57.03428	14.8
57.07048	5.1
59.04975	3.8
61.02908	2.0
65.03909	2.3
67.05193	1.5
67.05495	18.4
69.03430	9.8
69.07060	12.7
70.06557	2.9
71.04990	39.0
71.08615	1.6
72.08138	2.6
73.02922	2.3
73.06552	3.2
78.36023	1.5
79.05479	17.2
81.03378	4.7
81.06613	2.0
81.07049	35.8
83.04974	12.2
83.08572	5.3
84.04472	2.3
84.08128	1.9
85.02871	6.0
85.06536	15.4
86.09650	2.3
87.04436	3.1
91.05463	17.9
92.05742	1.6
93.07030	24.6
95.04958	67.4
95.08598	29.7
97.02881	2.3
97.06519	12.7
98.09669	5.3
98.97572	8.0
99.04443	22.0
99.08076	23.9
100.07587	3.0
101.05997	3.1
103.05437	2.7
105.06440	2.3
105.07023	25.2
107.04901	5.4
107.08577	87.5
109.02875	3.2
109.06496	22.0
109.10135	34.6
111.04395	4.6
111.08091	11.4
113.05975	4.4
113.09589	1.6
115.05450	2.4
115.07515	3.1
116.10693	3.6
116.98602	4.8
117.06985	5.5
119.04955	2.0
119.08557	26.0
121.06454	7.1
121.09254	2.7
121.10124	43.2
123.08045	24.7
123.11676	6.2
125.05930	4.0
125.09631	10.9
127.03941	1.7
127.07531	7.1
128.06184	3.9
128.07048	2.1
129.05484	1.7
129.06955	3.6
131.08517	6.1
133.06407	2.1
133.10115	9.2
134.99670	2.6
135.07999	4.7
135.11629	7.5
137.05965	3.1
137.09593	23.5
137.13170	3.4
139.11162	3.9
141.05461	2.9
141.06932	2.2
141.09036	4.0
143.08537	4.2
145.06477	3.2
145.10101	10.3
147.08018	3.2
147.10579	2.4
147.11664	31.8
149.09599	27.3
151.07500	4.8
151.11134	7.1
153.09102	17.5
154.07706	3.2
155.08502	2.1
155.10681	10.4
156.09332	2.7
158.99600	3.6
159.07980	2.2
159.11646	4.6
161.09616	2.0
161.13255	11.0
163.11162	25.6
165.05446	2.1
165.06902	1.8
165.12727	11.2
167.10635	8.8
169.04890	4.7
169.08647	1.8
169.10071	3.0
169.12230	11.6
171.10129	8.3
171.11597	3.7
177.00652	4.7
177.12714	5.3
179.08435	2.0
179.14282	5.5
181.12244	8.8
182.07164	2.0
186.05507	2.5
187.11093	2.8
189.12744	13.1
195.13751	2.1
197.05876	2.7
197.09613	7.4
198.14885	9.3
199.11244	3.0
199.13159	2.7
207.13750	22.9
211.05879	3.4
215.07066	2.4
215.10651	2.4
222.08353	2.1
225.09207	2.2
225.14799	24.3
226.14302	14.6
243.04541	2.3
243.06549	3.7
243.10297	7.3
243.15871	100.0
244.11838	2.4
244.16306	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	243.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
55.05489	2.5
59.04708	1.1
59.04990	13.2
61.02915	34.8
65.61175	0.9
67.05492	1.4
69.03416	20.3
69.07048	1.8
71.04938	0.8
71.11235	2.2
79.05479	3.5
81.03454	0.9
81.07051	6.5
82.97100	0.9
83.04973	8.2
83.08573	1.0
85.06541	1.0
87.04453	25.8
91.05473	2.0
93.07018	6.6
95.04961	1.5
95.08589	7.2
97.02885	0.9
97.06504	4.2
105.05469	1.8
105.06998	5.1
107.08562	2.1
109.06498	0.8
109.10131	3.4
110.37535	0.8
111.04427	1.9
111.08099	1.0
116.14192	0.7
119.08556	2.3
121.10123	43.9
123.08022	4.1
123.11654	2.2
125.09570	1.0
125.80838	0.8
133.07654	0.8
137.09608	1.0
139.11156	100.0
140.11473	1.2
145.10092	1.3
147.11732	0.8
149.09566	2.8
151.11157	1.8
161.13177	1.5
163.11148	2.9
165.12781	1.5
167.10692	1.5
179.08588	0.9
197.09573	1.0
207.13748	3.3
222.08330	0.7
222.58649	0.8
225.09094	1.0
225.14813	3.7
240.41856	0.8
243.10152	1.4
243.15707	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	243.1588
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
51.24681	0.5
53.03929	0.9
54.61625	0.6
55.01865	0.8
55.05507	2.6
57.03415	2.3
57.07057	1.6
59.04719	1.0
59.04992	14.3
61.02917	30.0
64.83121	0.5
67.05490	3.1
69.03419	19.6
69.07046	2.5
71.04987	2.8
71.31495	1.6
75.04473	1.4
79.05075	0.5
79.05474	3.1
81.07040	7.5
83.04968	6.4
84.04501	3.4
85.06516	1.0
86.09692	4.3
87.04455	22.6
88.04828	0.6
91.05460	4.4
93.07031	9.0
93.80474	0.5
95.04948	2.4
95.08596	8.4
97.06532	6.4
98.97573	0.6
99.04455	2.8
105.05498	1.1
105.07014	6.4
107.04956	0.6
107.08598	4.4
109.06509	1.9
109.10143	4.8
111.04404	1.8
111.08054	1.3
115.07550	0.6
117.40910	0.5
119.08569	2.9
121.10127	44.4
123.08045	6.1
123.11691	2.4
125.05914	0.7
125.09631	0.9
132.10178	1.9
133.10109	1.2
137.09581	2.2
139.11157	100.0
140.11470	1.1
141.05449	0.6
145.06474	0.7
145.10126	0.9
147.11717	1.1
149.09616	3.2
151.07533	1.0
151.11162	3.7
153.02997	0.8
153.09027	0.7
161.13179	1.0
163.11186	3.2
165.12708	2.0
167.10680	1.9
169.05013	0.6
169.08658	0.7
169.12268	1.0
179.14270	0.8
180.13799	0.6
181.12238	1.0
189.00507	0.6
189.12651	1.4
197.09683	0.7
197.12917	1.6
199.34578	0.7
207.13789	3.5
225.14795	5.3
243.06732	0.8
243.10219	1.0
243.15887	8.6
254.24562	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0861
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03944	4.6
55.01873	4.6
56.96569	2.9
57.03427	5.7
59.86772	2.0
61.02922	7.8
65.03922	9.4
67.05501	7.1
69.03418	6.5
69.07067	4.7
70.03846	3.9
70.04215	9.4
70.06553	2.9
71.01367	2.3
71.04991	9.3
72.08148	5.9
72.58799	1.7
79.05467	11.1
81.03401	5.6
81.07030	11.7
82.04179	3.4
83.04942	4.0
84.08177	2.8
85.02892	10.1
86.09718	4.9
86.23033	1.7
91.05464	24.0
93.07056	5.4
94.04154	3.0
95.04966	23.2
95.08574	4.0
97.02898	2.8
97.06515	5.1
98.97566	3.3
99.04446	3.7
99.08059	5.6
103.05463	2.5
105.03410	3.2
105.07008	5.1
107.04949	8.6
107.08598	3.3
109.02898	1.9
109.06519	15.3
109.10116	1.9
110.03656	5.5
111.04429	4.6
116.98680	2.0
117.06954	2.0
119.04920	5.3
119.08511	3.9
121.06477	11.5
123.04414	14.0
123.08067	3.4
123.11700	2.8
124.30650	2.0
125.02367	7.9
125.05975	2.1
127.03909	3.0
133.02824	9.0
135.04390	6.6
137.05965	27.3
139.07523	5.0
139.11200	1.9
140.04668	100.0
141.06926	2.5
145.10101	2.8
147.04439	7.1
155.07008	79.5
165.05466	18.8
165.06697	3.2
165.12877	1.8
171.06506	7.0
173.08099	6.3
179.07008	9.1
180.04132	17.1
181.04933	69.1
183.06540	5.1
190.07697	1.9
193.04936	25.1
195.06549	11.5
197.06160	2.5
197.08040	8.7
197.09705	4.2
207.06482	24.8
207.13617	2.1
212.01848	1.9
215.06969	2.5
221.38109	2.0
225.07449	14.0
243.06468	5.1
243.08609	8.0
243.10670	3.1
243.13620	3.4
243.21187	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.8
70.68200	0.2
70.68564	0.2
82.99860	0.2
98.97559	1.9
101.00867	1.7
103.92371	0.1
116.98600	2.1
118.03442	0.2
119.01900	14.7
120.02055	0.4
134.99673	2.9
137.02933	5.2
138.03159	0.2
140.98851	0.4
142.03481	0.5
151.25554	0.1
153.00854	0.9
154.01094	0.1
156.97420	0.2
157.03482	0.1
158.01216	0.2
158.99837	1.3
160.04491	0.3
161.02901	0.2
165.99614	0.2
175.02983	0.4
176.02467	0.1
177.00925	27.7
178.01013	1.8
179.01016	0.3
182.99928	0.5
193.04045	0.5
195.01997	0.7
197.00589	0.3
200.02538	0.9
201.00880	1.7
201.02472	0.6
202.00955	0.3
215.01607	0.3
217.04047	3.5
218.03581	0.6
219.01967	32.0
220.02100	4.4
220.04242	0.1
221.01833	0.7
225.00783	1.9
227.99432	0.2
233.03590	0.1
236.99713	0.2
237.02956	0.2
238.03258	0.2
240.05702	0.1
242.03566	1.3
243.01898	7.8
243.10358	0.1
243.17265	0.1
244.01949	0.2
260.04453	0.3
261.03012	100.0
262.03143	4.7
263.03363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30313	1.6
53.03918	5.5
54.86411	1.5
55.01846	6.9
55.05503	8.4
56.05032	14.9
56.96301	2.4
56.96560	31.3
56.98655	1.4
57.03436	7.5
58.06357	1.6
58.06593	20.9
58.06853	3.2
59.05009	1.7
59.06909	4.8
60.04516	1.7
61.02918	9.6
65.03917	5.7
66.65790	1.4
67.05494	15.5
68.05003	5.1
69.03419	17.1
69.07048	2.6
70.02936	4.5
70.06582	7.4
70.40126	4.5
70.98092	4.5
71.01336	3.8
71.04972	5.2
72.04497	2.3
72.08113	1.8
73.02909	7.7
74.06065	4.7
77.00877	2.2
79.05482	26.2
80.05009	18.0
81.03416	22.0
81.07033	7.5
82.04208	2.1
82.06563	8.0
82.66591	1.4
83.01324	2.9
83.04970	23.1
83.06062	2.4
84.04503	9.9
84.08128	12.1
84.96004	5.0
85.02888	21.8
85.08482	4.2
86.06064	16.2
86.09673	3.3
87.04450	2.2
88.64443	1.5
88.99092	2.8
89.00764	1.7
91.05453	15.1
93.05759	2.5
93.07007	3.9
94.06569	15.5
95.04954	27.2
95.08562	1.9
96.04456	4.6
96.08109	2.5
97.02883	14.0
97.06511	3.8
98.06031	7.5
98.09689	3.7
98.21303	1.8
98.96972	2.1
98.97570	26.1
99.04431	4.1
101.00876	3.9
101.02368	2.8
103.02398	1.9
103.05434	2.4
104.01186	1.9
104.04946	1.6
105.04523	1.8
105.07035	7.3
106.06541	7.3
107.04948	22.6
107.07326	1.8
108.04446	2.5
108.08111	7.4
109.00396	1.6
109.02858	6.6
109.06501	7.4
110.03656	2.8
110.06029	8.7
110.09648	3.7
110.97568	2.9
111.04427	35.4
112.03960	1.7
112.07581	1.8
114.05515	3.8
115.05380	2.0
116.98607	21.2
117.01820	1.9
117.05795	3.7
118.01044	2.6
118.06573	1.8
119.01892	13.9
119.04925	6.5
120.04398	1.7
120.08064	3.9
121.01601	2.8
121.02824	2.0
121.06480	5.0
122.06012	10.8
122.09642	10.3
123.04414	21.3
124.07546	6.7
125.05933	3.1
126.05482	2.7
127.03909	6.3
128.07013	2.0
128.98613	5.4
129.10187	2.6
129.11037	2.7
131.01903	8.8
132.01978	2.1
132.04344	2.2
132.08046	7.5
133.01637	3.1
133.03471	3.8
133.05226	4.6
133.06441	5.9
134.06007	7.3
134.99649	12.3
135.03365	2.3
135.04384	13.9
136.07541	9.0
137.02957	2.2
137.05931	5.9
137.08354	1.9
138.05444	3.3
138.09122	14.0
139.03867	5.9
140.02211	1.8
140.07047	3.2
141.01210	1.9
143.00131	1.9
143.01892	3.2
145.01616	2.5
145.03493	2.9
146.99530	3.8
147.04404	2.3
148.03786	2.8
148.07535	5.4
149.05975	2.4
150.01924	1.5
150.05502	3.8
150.09117	17.4
151.02696	2.2
151.03900	5.1
151.07524	2.4
152.07047	2.8
153.00641	2.1
153.05487	5.1
154.03761	1.9
154.08633	2.0
155.04646	2.0
157.02483	3.9
158.99649	5.8
160.07562	8.7
161.01198	2.5
161.02907	5.4
161.05983	1.7
162.05309	3.2
162.25790	2.0
163.04005	3.4
164.07054	8.2
165.00697	3.1
165.05437	5.1
166.08620	12.5
167.09416	5.6
168.10181	3.6
169.03510	3.1
169.04936	3.8
170.05121	2.7
170.08110	4.2
170.99713	2.7
173.01105	3.0
173.02855	2.4
174.54720	2.0
177.00807	8.2
177.02161	1.5
178.08591	15.3
179.07051	2.0
180.06532	3.4
181.04858	2.1
183.06461	4.9
184.04616	1.7
188.07060	3.1
189.00742	2.3
190.98607	3.4
191.02261	2.7
191.04094	1.9
193.00102	1.9
194.08191	2.3
195.05055	1.7
196.05162	2.2
196.09654	41.6
197.02939	4.0
197.04700	1.6
197.09972	7.0
198.07599	21.2
199.05943	2.1
201.00708	3.2
201.02409	4.2
206.08040	6.0
214.10718	27.4
215.02188	2.1
219.01781	13.9
219.03474	2.3
219.06735	2.1
224.09154	34.2
225.12370	2.4
237.02762	7.2
242.03560	2.3
242.10205	100.0
242.15764	82.5
243.10519	2.6
259.99869	2.5
261.02951	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	242.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73806	4.8
53.46833	5.5
55.05497	6.7
55.22567	5.4
56.05010	6.1
58.06595	5.4
60.04515	16.6
67.05501	7.5
69.03418	12.8
69.07055	6.4
70.02937	6.8
70.06590	7.0
71.70056	9.1
72.04522	6.5
74.06077	9.9
79.05486	23.9
81.03404	12.8
81.07051	35.0
83.08631	5.8
84.04504	9.6
84.08128	18.1
86.83741	6.0
91.05479	27.5
93.07025	24.3
94.06545	23.0
95.04952	36.0
95.08567	8.4
96.04475	13.2
97.06496	6.6
98.97563	7.5
100.03954	8.8
105.07021	19.9
106.06540	7.2
107.04948	17.7
107.08627	5.8
108.04479	8.1
108.08109	42.7
109.06503	39.8
110.06034	13.6
111.04426	13.1
116.98518	6.3
117.05713	8.4
118.06548	6.5
119.04951	22.1
119.88931	5.2
120.08083	7.4
121.06514	20.2
122.06027	27.6
122.09662	19.5
123.04408	22.5
124.07592	15.9
125.05962	9.2
126.05529	7.5
126.58586	5.9
128.15512	6.1
132.08058	10.9
133.06476	10.0
134.05956	8.0
134.09573	8.5
135.04382	14.8
136.07565	73.0
137.05960	50.1
138.05457	10.0
139.03902	13.3
140.07042	8.7
146.05988	12.8
147.04420	22.8
148.07552	11.5
149.05983	23.3
150.05434	10.5
150.09103	29.3
151.07553	6.8
152.07014	15.8
153.05467	11.3
160.07558	16.2
161.05988	9.9
164.07037	100.0
165.05487	36.6
178.08638	59.4
180.10147	8.9
181.04958	11.9
182.08118	26.2
188.07111	11.1
191.45323	5.9
196.09650	19.2
206.08109	69.6
207.06590	9.3
207.56473	5.4
224.09163	55.8
242.10210	78.2
242.13857	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	242.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01860	6.1
56.96550	7.3
57.03429	17.5
58.06596	14.4
58.99847	2.2
59.06913	5.9
61.02913	19.7
61.23482	2.5
69.03421	12.3
70.06600	3.8
70.24287	8.4
71.01338	7.0
71.04968	2.7
72.02528	2.0
72.93786	3.2
73.02920	9.9
80.05013	24.6
81.03394	6.8
83.06079	3.4
84.08112	6.3
85.02892	20.4
85.08484	3.7
87.04456	7.0
89.02361	4.0
91.02441	2.9
97.02879	19.8
98.97554	4.0
99.04431	2.2
100.02483	13.2
101.00848	2.2
101.02350	12.3
103.02422	4.4
109.02857	3.5
110.06088	2.5
115.02393	2.6
115.03913	22.5
116.98615	5.1
118.03497	7.7
119.01919	18.0
121.01616	2.8
121.03426	3.8
127.03897	4.0
129.01822	11.7
129.11038	2.6
131.01878	9.7
132.01984	4.7
133.01622	3.5
133.03424	14.7
133.05051	2.2
134.03600	2.3
134.05986	5.6
139.04216	4.7
143.01866	3.1
143.03368	6.2
144.99817	12.8
145.03394	4.9
146.05042	2.1
147.01360	3.5
147.05032	5.4
148.03767	3.9
148.04735	6.3
149.02853	4.4
151.04523	4.2
152.04984	2.8
152.07033	4.7
153.07840	2.6
155.05493	3.1
157.01355	19.1
158.99690	2.5
159.01329	2.3
159.04999	3.6
161.02911	7.3
161.04442	5.8
161.05615	10.5
161.55573	2.4
163.00795	2.3
165.06032	2.1
168.01347	4.4
170.06038	6.6
171.05055	2.4
172.99281	14.6
173.02924	3.5
175.02307	2.8
175.04553	3.9
177.02438	3.2
180.06471	2.3
185.02974	3.3
187.00870	6.0
187.04459	2.9
189.02553	2.9
189.03934	53.9
189.05763	3.4
191.00357	10.5
191.21815	2.1
196.00916	27.3
196.09581	3.1
197.09962	4.8
198.07585	7.3
201.02396	3.6
201.06120	2.4
205.01971	4.7
210.02530	2.8
214.01930	14.2
219.01884	3.2
224.09201	5.6
228.03566	11.1
237.03012	2.0
242.05051	2.4
242.10226	97.8
242.15776	100.0
242.60779	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86979	0.9
52.62581	1.0
55.05498	5.8
57.03426	1.4
57.07064	8.2
63.72588	1.1
65.03925	1.1
67.05485	5.6
67.48869	0.8
68.04304	1.0
69.07062	9.0
69.21719	1.0
69.41405	7.2
69.41826	3.5
71.08604	1.4
71.29025	1.0
74.26205	1.0
79.05475	5.7
81.03368	1.5
81.07032	6.0
83.08607	5.3
91.05479	8.4
93.03699	2.3
93.07025	5.3
95.04917	1.0
95.08605	5.6
97.02881	1.3
97.06499	1.7
105.07001	10.2
107.08553	3.8
109.10131	3.9
115.05391	2.1
116.06204	1.1
117.07003	31.8
119.08582	5.7
121.10115	3.8
128.06203	5.2
129.06079	2.0
129.06982	23.4
129.07944	1.2
130.07719	1.7
131.08553	32.8
133.10101	6.1
141.06920	1.1
142.07741	4.6
143.08543	28.6
145.10104	16.3
147.11665	8.5
155.08548	2.5
156.09320	2.5
157.10094	18.5
159.11673	35.5
161.13239	3.7
169.10077	3.7
170.10822	1.0
171.11668	23.3
173.13243	40.6
183.11617	1.8
185.13226	30.1
187.14790	2.9
197.13199	1.6
199.14786	40.6
200.27942	1.3
213.16374	4.7
235.34697	1.2
241.08501	1.4
241.19472	100.0
242.19878	3.1
242.28510	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.05509	4.2
56.02639	0.9
59.05009	0.8
67.05495	22.1
69.07050	4.1
71.04980	100.0
79.05480	12.9
79.11150	0.6
81.03419	0.7
81.07043	37.9
82.31450	0.6
83.04974	2.1
83.08614	1.1
85.06531	6.5
91.05459	10.1
93.07030	23.2
95.04971	2.6
95.08594	18.0
97.04966	0.5
97.06504	4.4
99.08102	2.3
104.49957	0.6
104.50757	0.6
105.07016	4.8
107.08577	8.0
109.06538	2.1
109.10139	3.0
111.08083	1.6
115.05402	0.8
117.07002	7.0
119.08585	1.8
121.06530	0.8
121.10146	2.5
123.08065	1.0
125.09631	0.7
127.07574	0.6
129.07004	1.3
131.08546	7.8
133.10106	6.9
135.08063	1.1
135.11658	14.4
135.12627	0.7
143.08595	1.5
145.10130	1.4
149.13246	7.6
151.11186	0.7
157.10103	1.5
159.11671	16.6
171.11726	2.5
177.12727	7.2
185.13304	1.2
189.59357	0.6
199.14857	1.0
209.15366	2.5
229.32346	0.8
231.64534	0.6
234.48407	0.6
241.08649	1.1
241.15881	1.3
241.19601	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	241.1794
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
53.19121	0.7
55.05504	5.2
57.07067	100.0
58.40875	0.9
59.14571	0.8
60.99082	0.8
67.05498	15.9
69.07079	5.0
69.19934	0.7
70.14748	4.6
71.08601	1.0
79.05483	23.7
81.03392	1.1
81.07043	7.7
83.04944	1.0
83.08599	1.9
85.06545	0.9
91.05469	3.2
93.07025	11.9
95.04939	1.7
95.08587	6.9
97.06528	8.1
97.10133	1.1
105.07010	1.5
107.08583	7.8
109.06489	1.6
109.10133	12.0
112.19812	0.9
117.07020	1.1
119.08582	1.3
121.06497	1.4
121.10136	11.5
125.06007	2.0
127.11179	41.7
131.08554	1.2
133.10120	1.0
135.08002	1.3
135.11682	4.3
139.07524	0.8
143.08594	1.0
145.12202	0.9
149.13249	1.1
159.11705	1.3
171.11615	2.2
177.16370	11.0
185.13232	1.4
187.14830	2.4
195.17418	16.8
199.14818	1.6
205.15813	4.2
223.16896	35.0
241.15993	1.0
241.17831	3.1
241.19565	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	241.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28300	0.3
55.05497	0.3
58.06591	16.8
61.02901	0.8
68.90002	0.3
69.03400	0.8
70.06579	3.2
71.04987	0.3
71.40257	0.4
71.40575	0.3
72.08150	0.4
72.96883	0.3
73.02875	0.4
80.05024	1.9
81.03402	0.7
84.07655	0.6
84.08131	9.7
85.02877	1.1
97.02868	1.2
98.06022	0.4
98.09663	1.6
98.97569	0.5
99.04428	0.5
100.11201	0.5
100.65232	0.3
114.05479	0.5
119.01891	1.1
126.05502	0.4
127.03927	0.7
128.10710	3.7
131.01883	0.4
133.03366	0.5
143.01897	0.6
144.10146	1.2
145.03438	0.3
145.04884	0.5
147.05788	0.5
149.02919	0.3
151.04425	0.3
157.03398	0.5
160.04623	0.3
161.02910	0.6
168.10207	1.1
169.05212	0.6
173.06587	0.5
175.04507	0.5
196.09657	5.2
198.11174	0.3
213.15953	0.4
241.15436	100.0
242.10158	1.8
242.15770	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1544
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
58.06590	17.1
62.31498	0.2
69.61388	1.9
69.85679	0.2
70.06577	3.0
72.08119	0.2
73.03286	0.3
81.03389	0.8
82.15427	0.2
84.08128	8.6
85.06529	0.4
86.06057	0.3
97.02842	0.2
98.06029	0.3
98.09669	1.5
98.97556	0.3
100.11237	0.4
109.12827	0.2
114.05540	0.4
116.07059	0.5
116.98612	0.3
119.74172	0.2
123.04390	0.3
124.07526	0.2
126.05478	0.4
126.09095	0.4
128.10698	3.3
144.10153	0.8
150.09190	0.4
168.10196	0.8
170.46413	0.2
191.02238	0.2
196.09668	4.5
200.85022	0.2
238.07220	0.3
241.15428	100.0
242.10229	0.5
242.15764	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.3
55.01847	1.4
55.05492	5.5
57.03158	2.2
57.03424	38.8
57.03846	1.6
59.04977	5.5
59.05277	1.3
67.05502	7.9
69.03043	1.9
69.03413	34.1
69.07037	3.2
70.76237	4.9
71.04974	1.9
75.04465	48.7
79.05451	6.9
81.07037	9.6
83.04962	22.2
83.08585	1.4
85.02882	4.8
91.05445	3.3
93.07012	11.2
95.04932	5.8
95.08586	11.1
97.06507	6.7
99.04411	3.6
103.06126	1.5
105.07009	7.7
106.98759	1.3
107.08564	3.6
109.02859	11.9
109.10129	24.0
111.04426	1.8
111.08040	3.5
119.08547	4.3
121.06538	1.5
121.10118	54.0
122.07279	1.8
123.04399	5.9
123.08044	7.9
123.11655	1.5
125.05968	13.5
125.09537	1.9
133.10046	1.6
137.09583	25.0
139.07516	16.3
139.11150	100.0
141.05458	10.5
151.11147	2.9
153.09109	1.9
159.11722	2.1
161.09537	2.9
163.11182	2.6
165.09091	18.0
167.06987	9.6
167.10637	6.6
177.12711	3.6
179.10617	5.1
183.10098	2.0
185.08058	9.6
197.11688	2.9
205.12244	4.0
207.02708	1.5
223.13289	8.9
241.14293	16.9
257.68451	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1431
Annotation	(+)-7alpha,8alpha-Epoxyblumenol B
Peak:m/z	Relative Intensity
53.03938	3.6
54.19792	2.6
55.05504	12.1
57.03443	13.1
57.03666	2.7
57.07064	6.4
59.04992	13.9
61.02930	3.0
65.03930	4.2
66.92988	2.2
67.05502	33.5
69.03422	27.5
69.07056	8.6
70.75894	6.3
71.04982	16.5
74.15353	2.2
75.04469	12.7
79.05477	9.4
79.64549	2.6
81.07040	35.1
82.92088	2.1
83.04971	39.1
83.08609	7.0
85.02908	12.2
85.06519	7.2
86.27386	2.5
87.04466	18.0
91.05461	9.9
93.07033	22.2
95.04945	39.9
95.08574	20.1
97.02904	4.0
97.06518	15.2
99.04446	10.3
105.07014	11.6
107.04976	4.4
107.08581	22.1
109.02853	5.5
109.06503	21.4
109.10143	42.7
111.04417	2.8
111.08064	100.0
111.08821	5.4
113.02315	5.6
113.05975	11.3
119.08570	11.2
121.06502	7.3
121.10130	19.1
122.07291	3.3
123.04398	22.2
123.08068	17.5
123.11691	7.2
124.02139	3.1
125.02293	2.3
125.05960	11.0
125.09612	15.0
127.07546	4.1
131.07005	4.5
133.10129	6.3
135.08075	7.7
135.11702	7.3
137.09596	91.9
139.07532	15.5
139.11159	25.3
141.05438	31.4
145.10118	4.1
147.08051	2.8
149.06007	2.7
149.09573	5.5
150.03720	3.3
151.11156	10.8
153.09085	64.4
153.10277	4.4
155.10672	7.5
157.04976	3.4
157.08568	23.4
159.11700	5.6
161.09590	7.4
163.11134	10.5
165.09120	27.9
167.07007	11.1
167.10635	2.9
177.12730	8.6
179.10645	32.9
181.12193	4.5
187.11183	3.8
195.08162	2.8
197.11711	27.3
205.12207	11.2
215.78113	2.4
223.13249	11.5
241.11871	3.8
241.14304	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.143
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.03937	4.3
55.05500	9.4
57.03427	38.5
59.04990	7.1
61.13054	3.4
67.05497	38.4
69.03420	32.3
69.07066	7.6
70.02325	4.0
71.04977	7.5
71.43449	6.7
75.04462	43.0
79.05476	10.7
81.07043	23.7
83.04972	54.6
83.08584	4.1
85.02881	4.9
87.04460	10.3
91.05457	11.5
93.07028	24.9
95.04971	31.7
95.08594	17.5
97.06515	13.7
99.04462	6.0
105.07011	13.2
107.04935	3.6
107.08546	10.8
109.02853	15.9
109.06508	18.6
109.10146	89.9
111.04421	6.2
111.08064	38.8
119.08575	12.6
121.06509	8.6
121.10133	40.6
122.07262	13.0
123.04410	15.8
123.08057	31.7
123.11647	4.0
125.05981	21.0
125.09592	19.0
133.10091	6.5
134.55823	3.8
135.08026	7.3
135.11694	6.2
137.09589	100.0
138.10396	5.4
139.07529	21.3
139.11153	82.9
141.05470	10.3
145.10152	4.3
149.09598	7.6
151.11168	10.1
153.09084	37.5
157.04887	3.5
159.11700	7.8
161.09595	13.9
163.11166	9.0
165.09105	28.5
167.07014	17.0
167.09386	4.0
167.10588	17.0
171.15825	4.2
177.12718	9.1
179.10637	50.9
181.12189	7.0
185.08066	10.2
187.11223	4.7
197.11703	15.7
205.12262	11.4
223.13297	22.5
241.14287	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04451	0.3
53.03950	0.4
55.01878	0.5
55.05497	2.5
57.03442	0.6
59.04989	3.3
60.56886	0.3
65.03947	0.5
67.05497	21.5
68.05845	0.5
69.03419	0.7
69.07059	2.0
69.58546	1.4
69.58974	1.2
71.04990	2.8
79.05484	1.7
81.03411	1.3
81.07050	7.1
83.04975	3.2
83.08614	0.6
85.06542	0.4
91.05485	1.2
93.03674	0.4
93.07035	1.7
94.94005	0.3
95.04974	1.2
95.08596	5.0
97.06512	0.8
97.10169	0.3
99.04436	9.2
105.07004	0.8
107.04926	0.8
107.08585	2.7
109.02882	2.2
109.06518	2.6
109.10143	100.0
110.10483	1.5
111.08101	0.4
113.09640	0.4
119.08553	1.8
121.06487	0.5
121.10125	1.4
121.10909	0.3
122.07283	2.9
123.08052	1.0
127.03909	4.4
129.07036	0.3
131.08498	0.5
135.08080	0.5
135.41634	0.3
137.09598	66.9
138.09966	0.7
139.11171	1.1
140.57205	0.3
141.09048	0.5
142.07753	0.4
145.10092	0.6
154.85654	0.3
155.08598	0.4
157.10146	0.4
159.11647	0.4
161.28508	0.3
165.06882	0.3
165.09067	2.1
166.07657	0.3
167.07051	2.1
183.10153	10.5
183.11632	0.4
189.84602	0.4
195.07985	0.5
213.09134	0.3
223.13226	2.1
223.16734	0.4
226.06201	0.4
241.05029	0.5
241.08536	0.6
241.12497	0.4
241.14285	10.8
241.19478	1.4
251.02350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.8
56.29100	0.5
57.17838	0.5
59.04987	4.3
67.05490	20.4
69.07046	0.6
69.65145	4.4
71.04974	2.5
79.05495	1.0
81.03400	0.8
81.07037	5.6
83.04971	3.6
91.05447	1.2
92.76317	0.5
93.07051	0.8
95.04897	1.0
95.08580	3.6
99.04435	9.0
107.08588	1.8
109.02864	2.3
109.06517	2.7
109.10136	100.0
110.10437	1.3
119.08566	1.1
122.07269	2.0
123.08027	1.3
127.03876	5.0
135.87167	0.6
137.09590	62.6
138.09966	0.9
140.19318	0.6
155.10719	0.7
165.09134	1.4
167.07011	2.1
183.10130	9.7
190.15981	0.6
194.95566	0.6
223.13248	1.6
241.14275	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	241.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84595	0.3
53.03960	0.9
53.34578	0.4
55.01870	0.6
55.05497	3.9
57.03429	4.3
57.07088	1.0
59.04998	3.6
59.66359	0.3
65.03944	0.6
67.05493	26.3
69.03413	1.6
69.07054	3.3
71.04981	2.8
71.69992	0.4
79.05478	4.6
79.05862	0.4
81.03403	1.5
81.07043	9.8
83.04966	3.5
83.08590	2.5
85.02929	0.4
85.06545	0.7
87.04483	0.3
91.05458	2.7
93.03711	0.6
93.07024	5.5
95.04962	1.9
95.08588	8.2
97.02880	0.4
97.06512	0.9
97.10161	0.8
99.04443	8.3
99.08084	0.9
105.07005	1.8
107.08562	3.6
109.02847	2.2
109.06489	2.8
109.10138	100.0
110.10480	1.1
111.04425	0.7
111.08038	0.7
117.06989	0.5
119.08569	1.9
121.06470	0.6
121.10132	4.5
122.07263	3.2
122.12252	0.3
123.08045	1.3
123.11687	0.7
125.05969	0.8
125.09616	0.3
127.03896	4.1
129.06970	0.7
131.08545	0.9
133.10095	1.0
135.11633	1.0
137.09590	66.4
138.09918	1.2
139.07520	0.4
139.11168	1.8
141.07005	0.4
141.09021	0.9
142.07770	0.6
143.08522	1.3
145.10115	1.2
147.11646	0.6
149.13202	0.8
152.06143	0.4
152.10719	0.3
155.08459	0.5
156.09326	0.7
157.10077	1.4
159.11613	0.9
165.06929	0.8
165.09071	1.5
167.06973	1.7
167.08476	0.9
167.10666	0.7
169.10074	0.5
171.11641	2.8
177.12804	0.4
180.23581	0.3
181.04935	0.4
181.06401	0.7
183.10141	9.9
183.11559	0.3
185.09589	0.5
185.13182	1.7
195.07997	0.9
197.13152	0.4
198.06674	0.5
199.07524	0.5
199.11018	0.5
199.14764	0.9
205.12126	0.4
209.09587	0.4
211.20523	0.5
213.09033	0.5
213.12650	0.4
213.16374	0.4
223.11160	0.6
223.13116	2.6
226.06180	0.3
241.08667	3.1
241.12064	1.6
241.14177	11.2
241.19543	4.1
241.21660	0.6
261.76907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.143
Annotation	Drummondol
Peak:m/z	Relative Intensity
53.03930	3.2
54.60075	1.0
55.05496	8.9
57.03427	53.2
57.07049	1.6
57.79373	1.2
59.04978	5.0
67.05502	9.8
69.03423	33.3
69.07050	4.1
71.04981	1.7
71.16872	2.2
71.17232	1.5
75.04468	57.4
79.05489	5.7
81.07036	10.3
83.04967	29.2
83.08605	2.2
85.02894	5.4
91.05462	3.4
93.07034	13.3
95.04977	5.9
95.08600	12.3
97.06531	8.7
97.10183	1.1
99.04432	3.7
105.07031	6.4
107.04934	1.5
107.08577	2.4
109.02861	19.6
109.06494	2.6
109.10149	28.0
111.08068	3.8
119.08577	4.0
121.06525	1.2
121.09248	2.5
121.10120	43.5
123.04401	3.0
123.08039	15.6
123.11735	1.3
125.05982	19.7
125.09602	1.1
133.07701	1.1
135.11653	1.1
137.09590	32.0
137.10651	1.6
139.07535	17.2
139.11159	100.0
140.11523	1.4
141.05443	9.5
143.07042	1.4
151.11166	2.1
157.59898	1.1
161.09604	2.2
165.09097	27.2
167.07018	15.2
167.10658	11.2
177.12689	3.2
179.10631	4.4
181.12218	1.4
183.10094	1.4
185.08063	15.8
195.13823	1.6
197.11696	3.3
205.12212	3.7
223.13240	15.4
241.14297	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.143
Annotation	(+)-7alpha,8alpha-Epoxyblumenol B
Peak:m/z	Relative Intensity
53.03931	2.2
54.81911	1.2
55.05491	9.0
56.69561	1.2
57.03428	53.0
57.07053	1.7
59.04984	4.9
63.43897	1.5
67.05489	12.1
69.03419	40.3
69.07046	3.3
71.03849	1.4
71.04188	3.9
71.05005	2.2
75.04468	64.0
79.05471	6.7
81.07049	10.3
83.04966	40.0
83.08602	2.5
85.02899	8.1
91.05448	3.8
93.07043	14.7
95.04955	6.1
95.08583	11.9
97.06519	9.2
99.04443	3.6
105.07018	7.6
107.08570	3.6
109.02867	19.8
109.06514	2.2
109.10139	31.7
111.08055	6.3
118.13110	2.0
119.08547	5.3
121.06506	2.7
121.09258	2.6
121.10128	48.7
122.07228	2.5
123.04412	5.0
123.08046	17.0
125.05984	19.5
125.09623	2.8
128.08682	1.5
133.10141	1.5
135.11658	2.1
137.08595	2.5
137.09602	46.9
139.07547	17.1
139.11160	100.0
141.05424	6.4
143.06979	1.7
149.09602	2.1
151.11153	2.4
153.09091	2.4
154.06488	1.4
161.09543	3.5
165.09100	26.5
167.07027	17.3
167.10638	13.3
175.14709	1.4
177.12662	3.5
179.10652	6.3
185.08087	12.7
193.86523	1.3
197.11690	4.7
205.12225	3.7
218.85481	1.4
223.13260	15.8
230.53702	1.5
241.14290	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	241.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.05502	5.8
57.03159	2.2
57.03429	37.3
57.07055	1.3
59.04975	4.9
61.69516	1.1
64.75345	1.1
67.05494	11.7
69.03041	1.8
69.03419	30.9
69.07057	3.0
71.04957	1.9
71.43349	1.7
71.43693	1.2
75.04471	47.1
79.05485	5.3
81.07044	8.4
83.04509	1.6
83.04971	23.4
85.02902	2.7
91.05454	3.1
93.07035	10.9
95.04943	6.0
95.08587	9.0
97.06516	8.5
99.04452	5.4
105.07024	6.9
107.08598	2.4
109.02868	13.5
109.06506	2.2
109.10141	33.5
111.08060	5.0
119.08553	2.2
121.06484	2.1
121.10132	41.4
122.07272	1.8
123.04416	3.9
123.08032	8.9
125.05977	15.7
125.09618	1.9
133.10106	1.3
137.09604	27.2
139.07550	13.3
139.11159	100.0
140.11475	1.1
141.05405	11.1
143.06998	3.3
149.09723	1.6
151.11195	2.0
153.09126	1.4
159.11710	2.1
161.09598	2.5
163.11133	1.5
165.09088	17.0
167.07042	13.1
167.10670	5.0
177.12706	2.2
179.10666	5.2
181.12158	1.5
183.10123	1.6
185.08076	18.3
195.13710	1.5
196.11716	1.0
197.11678	5.5
205.12193	1.6
223.13223	8.6
241.14301	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	241.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21547	0.6
53.03923	0.9
55.05490	1.9
55.74472	0.6
55.78536	0.6
58.84187	0.6
59.04995	3.5
60.21095	0.6
62.13918	0.6
67.05138	1.0
67.05496	19.3
69.07030	0.8
70.35064	2.7
71.04980	2.7
78.86661	0.6
79.05482	0.8
81.03394	0.7
81.07053	4.6
83.04973	3.4
93.07080	0.8
95.04964	1.2
95.08597	3.0
99.04441	10.2
104.76143	0.7
107.08622	0.8
109.02879	2.1
109.06523	2.5
109.10142	100.0
113.05943	0.7
119.08594	1.0
122.07299	1.8
123.08055	1.0
127.03918	4.1
137.09599	74.3
138.09906	1.5
165.09126	1.8
167.07010	1.8
170.46280	0.8
183.10155	11.5
201.18922	0.7
223.13350	1.9
241.14314	12.8
258.62466	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01851	0.5
55.05503	4.0
57.03421	1.1
57.07068	1.5
59.04994	4.2
65.03929	0.6
67.05498	28.5
69.03413	1.8
69.07060	2.4
69.88194	1.4
71.04980	3.2
71.08616	1.0
75.02652	0.3
75.04478	0.4
75.48119	0.2
77.03843	0.3
77.14375	0.2
79.05480	3.9
81.03419	1.5
81.07045	15.7
83.04977	3.8
83.08617	1.8
85.06523	2.0
91.05467	2.5
93.07031	4.6
95.04966	1.9
95.08592	11.2
97.06530	1.6
97.10157	0.7
97.11849	0.3
99.04442	9.3
99.08070	0.8
105.07008	1.2
107.04942	0.5
107.08583	3.8
109.02880	2.5
109.06521	2.2
109.10143	100.0
110.10483	0.8
111.04456	0.6
111.08072	0.6
117.06990	0.4
119.08557	1.8
121.06496	0.5
121.10136	5.0
122.07291	2.9
123.08044	1.8
123.11665	0.9
125.05984	0.4
125.09615	1.0
127.03902	4.5
129.05473	0.6
131.08566	1.0
133.10086	0.3
135.08008	0.4
135.11685	0.6
137.09596	63.0
138.09944	0.7
139.07549	0.6
139.11191	1.3
141.09096	0.7
141.12663	0.3
143.08499	0.3
145.10085	0.8
149.09615	0.5
159.11697	0.5
160.14870	0.3
161.13278	0.5
163.14801	6.1
165.09076	1.3
167.07053	2.3
177.16335	0.4
181.15852	2.5
183.10143	7.7
183.11725	0.6
185.13251	0.4
187.14807	1.4
199.16832	0.6
205.15822	0.8
221.75375	0.3
223.13309	2.3
223.16849	1.6
241.14310	9.6
241.17802	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01883	1.4
55.05498	6.9
57.03428	37.5
57.07057	2.7
59.04977	3.7
65.03938	1.3
67.05493	11.7
69.03420	31.1
69.07047	4.2
70.73576	2.5
70.73968	2.8
71.04967	2.5
75.04465	46.9
79.05468	6.7
81.03419	1.5
81.07043	10.8
82.13819	1.0
83.04966	29.5
85.02896	2.8
91.05463	2.8
93.07030	12.5
95.04957	5.5
95.08582	12.3
97.06508	8.0
97.10134	2.0
99.04437	5.1
99.08087	3.7
105.07016	7.1
107.04902	1.7
107.08587	3.5
109.02853	13.8
109.06503	3.0
109.10143	32.1
111.04414	2.5
111.08073	5.1
119.08569	3.8
121.06492	3.1
121.09251	2.6
121.10123	45.2
123.04421	6.1
123.08050	12.7
125.05968	21.9
125.09610	3.5
133.10147	3.1
135.11716	2.3
137.09596	30.6
139.07513	15.6
139.11153	100.0
140.11559	1.3
141.05452	9.7
143.07013	3.0
145.10150	2.1
149.09644	1.3
151.11089	2.3
153.09154	1.3
159.11649	3.4
161.09641	2.2
163.11153	3.2
165.09100	19.6
167.07027	13.5
167.10675	6.2
177.12746	3.1
179.10640	3.8
181.08568	1.2
183.10060	1.7
185.08043	13.7
185.09505	1.7
195.13820	2.1
197.11687	6.5
199.70650	1.2
205.12241	3.6
223.13245	13.5
226.35640	1.3
241.14288	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0862
Annotation	Phomonitroester
Peak:m/z	Relative Intensity
55.79493	0.6
65.03918	0.8
66.74237	0.7
69.03416	18.4
69.90461	4.7
80.04992	2.2
82.12609	0.8
83.12178	0.7
87.04453	51.4
91.05423	0.8
94.13482	0.6
98.20788	1.4
106.06526	1.2
108.04465	7.5
111.03155	5.1
126.05492	20.5
130.56940	0.7
134.05969	3.7
135.06773	3.3
138.05467	3.8
145.61674	0.7
150.09085	0.7
151.06346	0.8
151.07533	1.3
152.07068	6.3
154.04962	41.6
162.05498	3.3
163.06270	1.1
166.08598	4.5
176.07027	1.2
179.06993	1.1
190.04930	0.9
191.05719	1.0
194.08102	14.9
212.09151	2.9
222.07574	30.0
223.07861	0.7
240.08632	100.0
241.09134	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1638
Annotation	Penihydrone
Peak:m/z	Relative Intensity
50.51560	1.6
53.03928	6.9
54.12758	1.5
55.01866	100.0
55.05504	55.0
57.03432	1.5
57.06846	1.4
57.07071	14.8
59.04998	1.6
65.03928	3.1
67.05496	49.0
69.03416	1.8
69.07063	17.3
69.68587	10.9
71.04985	9.0
76.57388	1.5
79.05481	45.5
81.03428	7.8
81.06614	2.2
81.07050	30.9
83.04965	5.5
83.08594	6.8
85.06551	1.9
89.06041	1.9
91.05473	25.2
93.07044	15.0
95.04954	58.9
95.08591	16.6
97.06517	13.1
97.10154	28.3
99.04436	5.5
105.07005	25.5
107.04939	6.5
107.08575	11.7
109.06512	12.8
109.10157	3.8
113.06000	14.4
117.07001	4.2
119.08546	21.2
121.10103	7.9
123.04415	42.9
123.08060	15.5
123.11676	4.7
125.05965	6.2
125.09620	84.2
129.06970	2.4
131.08519	2.6
133.06456	8.5
133.10106	10.6
135.08040	1.8
135.11693	2.1
137.09520	2.7
139.07533	2.2
141.05432	1.8
143.08553	3.3
145.10091	1.5
147.08028	4.0
147.11684	4.8
149.13216	1.9
151.07518	45.4
155.08533	2.2
157.10028	3.2
159.06517	2.9
161.09583	2.1
161.13281	7.5
165.09070	2.0
169.08583	15.7
169.10094	6.2
169.82991	1.9
175.14812	15.3
183.11624	4.6
185.13268	9.7
190.78796	1.5
193.15872	30.1
195.11723	1.8
197.13257	2.1
203.14304	8.0
221.15329	25.0
239.06918	2.7
239.14148	3.5
239.16002	14.0
239.18283	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	237.1845
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03940	3.6
55.01854	3.0
55.05504	11.4
57.03413	4.6
57.07061	5.8
59.04988	5.4
59.11367	2.7
61.35092	2.5
67.05498	26.6
69.03429	8.2
69.07043	14.3
69.23243	2.3
69.69398	16.3
71.04985	28.2
71.66554	2.3
78.73425	2.6
79.05487	17.2
80.33026	2.2
81.07043	98.3
83.08613	5.6
85.06528	10.2
91.05466	17.6
93.07030	100.0
95.04973	11.2
95.08596	45.8
97.06523	8.1
97.10144	3.6
97.85878	2.5
99.08093	13.2
100.16948	2.5
105.07011	36.1
107.04941	3.1
107.08575	32.2
109.02768	2.5
109.06464	12.3
109.10148	26.7
111.08121	5.6
113.05976	9.5
115.07558	4.9
116.98576	2.3
117.07027	3.3
119.08553	28.2
121.06503	2.6
121.10124	17.7
123.08053	8.7
123.11682	55.1
125.09556	4.7
127.07536	5.7
127.11190	7.7
131.08553	10.0
133.10104	54.3
133.11137	2.8
135.08080	4.4
135.11705	12.6
139.11162	3.2
145.10103	15.3
147.11662	12.5
149.09628	3.2
149.13248	6.5
151.11150	53.9
155.10530	2.5
159.11650	11.9
161.13269	5.9
163.11159	5.8
163.14836	2.4
165.12778	5.8
173.13304	9.1
175.14761	2.8
177.12756	5.5
191.14330	3.5
191.17978	5.3
194.77220	2.5
201.12495	2.6
201.16385	16.1
219.17416	42.9
237.14764	5.9
237.18443	46.0
251.01175	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1845
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03936	3.4
55.01854	3.9
55.05505	12.1
56.44474	2.1
57.03411	5.9
57.07063	4.9
59.04988	5.4
65.03922	2.2
67.05492	20.4
69.03419	31.4
69.07054	15.9
71.04983	62.8
71.66649	4.4
73.06547	2.2
79.05470	14.7
81.03429	2.3
81.07045	62.3
83.04949	4.5
83.08584	5.8
85.06516	7.3
91.05466	18.6
93.07029	28.0
95.04374	1.9
95.04942	12.3
95.08588	27.9
97.06528	10.8
97.10114	3.1
99.08078	15.0
103.05489	2.0
105.07007	36.6
107.04974	3.2
107.07901	3.3
107.08576	36.0
109.06499	29.8
109.10128	28.8
111.08044	5.6
117.07022	5.5
119.08555	18.0
121.06461	5.5
121.10136	15.2
123.08088	9.6
123.11655	12.5
125.09588	14.8
127.07501	7.2
127.11175	72.2
131.08530	8.7
133.09164	3.9
133.10103	46.3
135.04292	2.6
135.07994	5.4
135.11705	7.7
137.09552	4.2
139.11142	8.3
143.10678	11.1
145.06447	2.6
145.10104	33.6
147.11635	8.6
149.13254	4.7
151.11154	100.0
155.10645	23.4
159.11644	14.8
161.13219	6.5
163.11115	4.7
173.13182	5.8
177.05463	2.7
177.12675	5.8
177.16385	3.2
191.07045	9.7
191.10675	2.6
191.14316	3.6
191.17921	3.0
193.16006	2.1
201.16359	13.2
219.06435	3.5
219.10188	3.0
219.13770	3.8
219.17358	9.9
229.79483	2.0
235.15500	2.2
237.07535	5.9
237.11153	3.1
237.14706	4.7
237.16615	2.6
237.18488	23.8
237.22154	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1845
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03937	2.3
55.01852	3.0
55.05505	25.4
55.99648	1.9
56.96553	2.9
57.03420	6.6
57.07056	5.3
59.04979	7.3
67.05495	31.9
69.03417	40.3
69.07058	20.6
71.04612	3.4
71.04980	56.4
71.08607	2.2
71.31996	6.1
72.06435	1.9
73.02909	2.4
79.05478	31.2
81.03401	3.7
81.07042	100.0
83.04963	9.2
83.08588	12.3
85.02914	2.9
85.06541	10.8
87.04443	2.5
91.05467	20.9
93.07033	59.2
95.04956	18.8
95.08590	34.9
97.06516	11.7
97.10149	4.8
98.97558	8.3
99.04426	6.6
99.08082	28.0
103.05470	2.7
105.07013	54.0
107.04930	4.3
107.07906	3.7
107.08572	45.5
109.06493	28.5
109.10136	48.7
111.08073	9.7
113.09618	5.8
115.05437	2.3
116.06274	2.3
116.98600	3.2
117.06997	10.7
119.08562	27.5
121.06485	6.0
121.10120	33.0
123.08059	16.8
123.11690	24.4
125.09595	15.9
127.07538	10.1
127.11180	65.4
129.05389	2.3
129.06999	3.2
131.04877	4.0
131.08556	16.5
133.06474	2.5
133.10109	60.7
134.10503	2.3
134.99568	2.3
135.08034	8.8
135.11703	14.0
137.05905	2.5
137.09634	5.7
139.07588	2.4
139.11176	8.1
141.07133	2.0
143.08495	2.3
143.10646	12.5
145.10103	36.8
147.08186	2.1
147.11649	15.5
148.08824	2.2
149.09642	2.8
149.13211	8.1
151.11157	86.4
152.11588	2.2
155.10651	21.6
157.10085	2.7
159.08043	2.4
159.11679	22.6
161.13228	9.3
163.11168	16.7
163.14839	3.4
169.12215	2.3
173.09622	3.5
173.13258	11.5
175.11166	2.0
175.14839	3.1
177.00635	3.0
177.05595	2.4
177.09035	2.8
177.12709	8.0
177.16385	2.5
179.10683	2.7
189.00630	2.0
191.14265	6.8
191.17996	4.1
200.30510	2.3
201.12666	3.5
201.16322	15.2
219.06407	2.5
219.10170	4.7
219.13727	11.9
219.17332	15.2
231.01945	2.7
237.07512	2.6
237.14687	14.2
237.18478	30.6
237.22072	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	237.1845
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03954	1.7
55.01854	2.4
55.05507	8.9
56.96554	1.6
57.03418	1.5
57.07052	4.9
58.04090	1.3
59.05008	7.2
67.05495	19.4
69.03416	4.3
69.07063	11.8
69.51850	11.9
71.04988	21.6
79.05482	14.8
81.07045	84.3
83.04965	2.7
83.08601	5.3
85.02899	1.3
85.06535	5.0
91.05464	11.6
93.07035	100.0
95.04958	6.2
95.08593	35.4
97.06523	5.0
98.97534	2.7
99.08079	9.2
105.07030	18.1
106.31722	1.5
107.08571	26.1
109.06492	8.0
109.10141	21.4
111.08063	6.1
113.06012	10.9
113.09631	2.2
115.07548	4.6
116.98556	1.4
117.07029	2.8
119.08567	22.1
121.06499	2.6
121.10110	15.5
123.08070	6.1
123.11691	57.4
125.09624	3.3
127.07598	3.4
127.11191	4.4
131.08569	5.2
133.03290	1.8
133.10115	37.5
135.08055	2.6
135.11681	11.4
137.09619	2.7
143.10664	2.5
145.10092	7.0
147.11674	14.5
149.05884	1.5
149.09633	3.0
149.13266	5.8
151.11162	42.5
154.03906	2.0
155.10664	2.4
159.11699	9.4
161.13226	6.7
163.04369	2.1
163.11215	2.3
165.12715	1.8
173.13275	5.8
175.14810	2.2
177.12727	2.0
177.16254	2.9
191.14244	2.6
191.17920	5.3
201.12703	1.7
201.16316	9.8
219.13976	2.0
219.17441	29.3
237.14832	3.9
237.15997	1.5
237.18469	29.5
237.22020	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1844
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03933	7.8
55.01861	3.5
55.05505	25.6
57.03430	4.8
57.07061	7.1
59.04979	6.3
59.80154	2.2
65.03928	3.5
67.05497	37.9
69.03421	35.2
69.07057	21.4
71.04608	4.2
71.04984	62.6
71.70612	4.3
79.05483	45.3
81.03380	5.2
81.07047	100.0
82.07320	2.3
83.04980	13.6
83.08605	8.5
85.06530	20.0
91.05464	34.1
93.07028	78.1
94.07346	2.4
95.04954	26.3
95.08594	62.3
97.06510	26.5
97.10157	11.5
99.04436	7.2
99.08084	29.2
101.05956	2.3
103.05437	2.4
105.07018	55.2
107.04958	8.1
107.08577	51.2
109.06495	34.6
109.10137	37.4
109.10867	3.2
111.04414	4.3
111.08080	22.2
113.09669	2.6
115.05461	3.8
117.07001	17.3
119.08542	30.9
121.06469	19.5
121.10124	33.5
121.15200	2.8
123.08050	27.1
123.11662	14.6
125.05993	4.5
125.09625	18.4
127.03832	2.3
127.07541	10.5
127.11180	44.0
129.07036	4.9
130.07771	2.6
131.04842	5.1
131.08554	27.6
133.06413	2.9
133.10103	58.2
135.08038	13.0
135.11668	20.9
137.05981	5.8
137.09569	12.1
139.07536	14.1
139.11192	5.0
143.07246	2.7
143.08525	4.2
143.10652	5.5
144.09276	3.6
145.06412	4.5
145.10115	33.4
147.11667	19.1
149.02284	3.7
149.05966	4.2
149.09631	8.2
149.13235	9.7
151.07487	4.8
151.11156	65.9
153.12701	3.4
155.10678	17.6
158.10950	3.2
159.08034	5.1
159.11691	41.3
161.13261	8.5
163.07506	4.0
163.11137	7.0
163.14809	2.6
169.12192	4.0
173.13280	16.0
174.03717	6.5
175.11290	2.8
176.05310	4.8
177.09100	4.5
177.12711	20.1
177.16414	2.7
183.11688	4.1
184.97215	2.6
191.14229	11.9
191.17911	3.4
201.12752	6.2
201.16408	14.3
207.13861	5.1
219.13834	16.3
219.17363	14.0
220.04181	3.2
221.04982	2.7
222.06691	2.4
237.03917	3.1
237.14801	46.2
237.18433	19.1
237.22044	4.1
248.10995	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	237.1846
Annotation	Sirenin
Peak:m/z	Relative Intensity
50.17065	2.6
53.03943	3.2
55.01874	5.0
55.05506	14.5
55.54784	2.5
57.03436	5.1
57.07058	6.8
59.04987	3.4
59.84554	2.2
67.05489	26.0
68.33937	2.6
69.03427	26.5
69.07063	32.1
69.75608	6.0
69.76019	13.3
71.04985	64.7
79.05480	19.3
81.03389	4.7
81.07044	74.3
83.04983	7.4
83.08608	7.9
85.06533	5.5
91.05467	22.4
93.07032	48.7
95.04970	10.8
95.08593	31.4
97.06512	13.9
97.10187	5.0
98.21410	4.1
99.08068	18.7
99.42376	2.5
101.97336	2.4
103.05515	2.8
105.07023	32.1
107.04933	4.1
107.08583	42.9
109.06513	37.4
109.10146	33.2
111.08049	5.9
113.05990	3.5
117.07009	6.8
119.08566	22.4
121.06506	4.8
121.10133	23.4
123.08057	9.5
123.11695	23.7
125.09602	19.2
127.07535	7.8
127.11176	66.6
131.08600	8.8
133.10109	47.5
135.08052	5.7
135.11679	10.8
137.09596	4.7
139.11148	5.7
141.51923	2.5
143.10681	9.2
145.10100	31.0
147.11658	12.4
149.02339	4.6
149.13249	8.2
151.11162	100.0
153.09070	4.4
154.22548	3.0
155.10629	20.7
159.11696	16.2
161.13223	6.4
163.11261	6.0
172.12192	2.4
173.13297	5.7
177.12764	7.9
177.16498	2.8
191.14331	3.6
191.17976	6.3
193.04926	3.5
201.16359	15.9
219.13693	4.1
219.17401	21.0
228.10121	2.9
237.09305	3.8
237.14760	5.6
237.18420	27.1
237.22141	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	237.1481
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
53.03914	4.7
55.01855	11.0
55.05500	26.9
56.07813	1.5
56.96565	1.4
57.03414	3.1
57.07062	7.8
59.04991	1.4
65.03905	3.8
66.19421	1.3
67.05493	31.5
69.03401	3.4
69.06739	1.7
69.07054	18.1
71.04980	10.4
71.08590	4.0
71.69807	1.8
71.70216	1.9
73.02888	5.1
79.05478	48.9
79.54205	1.5
81.03399	9.8
81.07040	47.0
83.04961	18.8
83.05427	2.2
83.08603	11.8
85.02866	4.7
85.06499	4.7
85.10153	4.1
87.04436	2.1
91.05466	25.2
91.24892	1.3
93.07029	37.3
95.04947	32.6
95.08584	23.6
97.02825	1.6
97.06509	8.2
97.10130	3.3
99.04414	4.0
99.08068	3.5
99.29030	1.4
101.02362	11.4
103.05424	3.0
105.04486	2.1
105.07004	16.3
107.04935	80.5
107.08585	19.3
109.02834	1.6
109.06496	30.0
109.10128	10.7
111.04408	13.4
111.08020	5.8
111.11680	2.2
113.05981	2.4
113.09614	3.3
115.05414	2.3
117.06987	14.2
119.04895	5.6
119.08549	9.5
121.06487	26.4
121.10120	17.5
123.04386	7.3
123.08028	4.2
123.11646	2.9
125.05933	4.7
125.09576	2.8
129.06975	2.8
131.08539	14.0
133.06473	1.6
133.10062	5.3
135.04379	8.7
135.08022	13.4
135.11646	7.2
137.04286	1.4
137.05952	21.6
137.09566	5.1
137.13200	2.2
139.07495	2.8
141.09100	1.6
143.08412	1.5
144.09282	2.1
145.06384	1.8
145.10078	6.6
147.08005	1.4
147.11635	3.4
149.02277	2.1
149.05933	8.3
149.09584	5.6
149.13216	7.6
151.07477	3.3
151.11131	1.9
153.04242	2.0
153.05434	31.4
153.09019	3.5
153.88235	1.3
155.08484	2.1
157.10075	4.5
159.07988	3.4
159.11673	22.2
160.11813	1.4
161.13037	1.4
163.07518	8.0
163.11110	5.3
163.14763	1.8
167.06955	4.2
167.08372	1.9
173.13194	8.2
177.09058	2.9
177.12711	25.2
179.10628	2.1
181.08553	2.0
181.10071	3.5
183.11647	4.5
191.14287	23.5
193.10153	2.0
193.12180	2.4
195.11591	4.1
195.13731	3.6
201.12747	8.2
201.16335	2.1
207.11612	2.9
209.15347	7.8
219.10243	1.9
219.13779	39.0
219.17140	2.1
219.21028	2.9
237.07370	3.4
237.14757	100.0
237.18568	2.9
237.22015	6.1
238.10393	1.5
240.68088	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.9
55.01863	1.3
55.05493	3.5
55.29860	0.9
57.03431	8.7
57.07056	2.7
67.05499	4.7
68.77650	0.8
69.03412	1.8
69.07048	4.1
70.53234	3.9
71.04968	2.7
73.02894	1.1
75.04456	2.1
76.77732	1.1
77.03934	1.0
79.05479	4.2
79.05886	0.8
81.03400	1.3
81.07042	7.7
83.04951	3.5
83.08607	1.6
84.08128	1.3
85.02900	1.4
85.06505	1.7
91.05467	8.1
92.05816	1.8
93.07020	7.0
95.04945	3.6
95.08589	9.0
97.06517	2.6
99.04414	1.0
102.04665	7.6
103.05455	33.8
105.07014	11.4
107.04932	2.4
107.08556	5.2
107.82029	0.8
109.06482	4.6
109.10123	2.4
111.08022	1.2
115.05447	2.3
117.07009	2.4
119.04904	2.1
119.08559	3.7
121.06496	3.3
121.10122	4.1
123.08070	5.2
123.11662	1.5
125.09605	1.6
129.07001	1.7
130.04131	18.2
131.04909	93.5
131.08525	3.4
132.05246	1.3
133.06465	6.9
133.10127	2.9
135.08012	2.9
135.11696	2.2
137.05937	1.9
137.09605	2.2
139.04974	1.1
145.06444	2.3
145.10098	2.7
147.04356	3.0
147.08061	1.2
148.05168	100.0
149.05734	3.6
149.09596	2.1
151.07498	1.7
151.11172	3.2
153.09114	1.5
155.08556	1.0
158.07205	2.1
159.08051	2.0
159.11676	3.0
160.05144	3.6
161.05972	17.7
161.09566	1.9
162.06772	7.8
163.07520	55.3
163.11217	1.9
169.48146	1.0
173.09647	1.5
173.13251	1.7
175.07542	3.1
177.05490	2.2
177.09099	1.7
177.12761	2.5
179.10564	1.3
181.08562	1.9
189.12643	2.3
191.06969	1.1
191.14340	1.4
201.09058	2.0
201.12691	1.4
204.07822	1.7
219.06429	1.8
219.10146	2.5
219.13737	2.3
219.21056	1.1
237.07520	3.5
237.11203	3.4
237.14740	7.9
237.22102	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	237.0866
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
52.77964	1.5
53.03935	1.5
55.01863	3.2
55.05497	4.0
56.05028	1.0
56.96558	5.1
57.03418	1.9
57.07063	4.2
65.03929	1.2
67.05487	4.0
69.03429	3.0
69.07051	3.8
70.06577	1.9
71.04981	1.7
71.69971	1.5
72.08131	1.3
74.02042	1.2
74.02420	6.9
79.05488	4.0
81.03418	2.7
81.07050	4.1
83.04967	3.1
83.08611	2.4
84.08112	1.8
85.02885	3.1
87.04482	1.5
87.07999	1.1
91.05471	8.7
91.93112	1.1
93.07055	6.9
94.06554	45.1
94.07153	2.4
95.04968	4.3
95.08604	4.5
97.02884	4.6
97.06519	2.5
98.97576	2.8
99.00804	11.7
103.05434	7.3
104.04979	8.1
104.47314	1.2
105.07004	1.6
107.04945	1.3
107.08585	3.8
109.02905	1.2
109.06472	1.9
109.10165	2.1
111.08094	1.3
116.98605	3.9
117.06984	1.1
118.06524	47.6
119.04913	2.4
119.08588	1.1
120.04440	17.9
120.08084	20.5
121.06497	1.5
121.10131	4.1
122.06013	2.1
123.04435	1.5
123.08059	1.3
123.11656	1.5
125.09579	1.3
126.66731	1.3
128.98619	1.2
130.06564	2.0
131.04907	8.2
131.08536	1.5
132.04454	15.2
134.99663	1.5
135.04424	2.0
135.08092	1.8
136.07558	66.2
137.05988	2.6
146.05991	100.0
146.99657	1.5
147.04408	2.5
148.03911	5.0
148.05043	1.7
149.05998	1.6
150.05496	20.6
150.06613	1.9
159.04404	3.2
162.03136	2.6
163.07523	6.9
163.08620	2.0
164.07056	11.9
173.02899	2.2
174.05478	55.4
175.04024	2.2
175.05864	1.2
176.96899	1.8
177.00711	2.0
177.05432	17.9
179.14438	1.2
191.06874	2.4
191.08408	1.4
192.06516	47.2
202.04988	19.0
219.06490	10.4
219.21040	1.8
220.06036	17.6
231.68999	1.1
237.08772	5.4
237.12863	2.1
237.14909	2.6
237.22055	11.2
245.03146	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0866
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
50.96735	0.4
53.03934	0.5
55.05506	0.9
57.07056	1.0
63.44318	0.4
65.03944	0.5
67.05475	1.6
69.07040	0.8
71.04961	0.7
71.10254	1.1
74.02424	4.2
75.03204	0.9
77.40002	0.4
79.05470	1.4
80.05000	1.0
81.07033	1.5
83.04938	0.8
83.08608	1.0
85.02865	0.4
88.02867	0.5
91.05457	3.5
92.04965	0.5
93.07027	1.3
94.06554	4.9
95.04943	0.5
95.08588	1.2
96.41338	0.4
97.06490	0.4
99.00797	0.9
103.05424	1.0
104.05001	1.3
105.06994	0.8
106.85177	0.6
107.08554	0.8
108.04468	0.7
108.08092	0.6
109.06467	0.4
109.10145	0.5
110.06016	1.6
117.01590	0.4
117.06989	0.4
118.06528	9.0
119.07249	0.5
120.04436	3.1
120.08131	2.5
121.06470	0.9
121.10090	0.9
122.06030	0.8
125.09633	0.4
128.04956	5.0
130.06509	9.8
131.04893	1.2
131.07324	0.8
132.04428	2.4
133.05199	1.4
134.06007	0.5
136.07564	7.6
144.08104	0.7
145.07574	1.2
146.05988	100.0
147.06375	1.7
147.08073	0.6
148.02734	0.6
148.03914	12.4
148.07515	0.5
149.05998	0.6
149.09512	0.5
150.05478	2.2
152.38866	0.5
156.04448	0.5
157.07607	7.5
158.06041	0.7
159.09160	1.7
162.05515	0.6
164.07077	2.5
166.08612	1.3
173.07092	4.2
174.05482	16.6
175.08653	0.5
176.07068	1.0
178.04948	1.4
191.08144	16.6
192.06522	4.0
201.06514	0.5
202.04965	3.6
203.08165	5.4
204.08812	0.5
219.07693	1.2
220.06015	4.3
237.08748	8.9
237.12502	0.9
237.14719	0.5
237.22050	2.3
238.08859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2052
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
53.03930	4.0
55.01857	3.8
55.05503	33.6
57.03420	3.8
57.07065	22.6
57.14144	1.4
65.03921	5.0
67.05498	87.0
69.03412	4.8
69.06683	2.3
69.07060	43.9
70.47012	3.7
71.04985	13.7
72.75039	1.3
77.69872	1.4
79.05483	78.0
80.00382	1.3
81.03401	2.3
81.07046	100.0
83.04977	8.4
83.08604	14.8
85.06509	9.2
85.10160	1.6
85.29659	1.3
91.05466	53.0
91.06042	2.6
93.07034	95.1
94.07354	1.6
95.04953	10.6
95.08594	94.3
97.06503	10.4
97.10154	11.2
99.08092	4.3
105.04524	1.6
105.07017	53.0
107.04956	4.5
107.08582	82.7
109.06499	10.2
109.10139	59.5
110.10453	1.4
111.08080	8.1
111.11716	4.1
113.09627	2.2
115.05435	3.7
117.06977	5.6
119.04932	1.9
119.08567	44.6
120.08938	1.5
121.06490	13.0
121.10130	98.9
123.04418	3.3
123.08055	8.7
123.11688	15.0
125.09592	8.2
127.07507	2.2
127.11154	4.9
128.06187	3.0
129.06984	7.0
131.08549	11.3
133.06514	3.1
133.10114	44.9
135.08044	5.2
135.11674	56.7
137.05977	2.7
137.09572	7.3
137.13234	5.1
139.11169	4.2
142.07751	3.8
143.08531	8.4
145.06487	1.9
145.10085	8.3
147.08058	6.4
147.11671	29.0
149.09615	6.2
149.13245	14.0
151.07527	1.6
151.11095	7.3
151.14760	1.5
153.09061	1.5
153.12654	3.2
156.09319	3.7
157.06602	1.5
157.10110	9.3
159.11690	10.6
161.05962	1.9
161.09573	7.9
161.11903	1.7
161.13245	25.3
163.14854	2.6
165.09084	2.7
165.12712	4.9
169.10225	1.3
171.11656	8.1
173.05983	1.8
173.13287	4.7
175.07532	4.7
175.11224	6.5
175.14783	12.8
177.12749	7.0
177.16447	1.6
179.10637	10.6
189.09103	2.7
189.12726	7.7
189.16368	11.7
191.17908	2.3
199.11201	3.6
199.14796	8.8
205.10066	1.5
207.08136	1.5
217.12242	13.5
217.15979	11.9
217.19490	38.6
235.05916	2.7
235.09595	2.9
235.13295	14.0
235.16899	61.8
235.20557	76.7
236.11589	1.4
236.17152	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2054
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
50.43190	1.1
53.03934	4.8
55.01853	4.7
55.05505	36.7
57.03422	4.7
57.06831	1.7
57.07071	19.1
59.04998	2.0
65.03925	1.4
67.05495	81.6
69.03420	3.7
69.06683	2.5
69.07059	49.8
70.85841	3.7
71.04978	9.0
71.08605	2.8
79.05021	1.9
79.05483	43.0
81.07046	100.0
83.04963	5.3
83.08604	20.2
85.06514	5.7
91.05470	29.5
93.07034	59.6
94.10390	1.1
95.04952	6.5
95.08592	99.2
96.08883	1.4
97.06509	12.8
97.10138	11.5
98.97589	1.1
99.08070	3.1
105.07019	31.4
107.08576	38.4
109.06506	4.5
109.10139	69.2
111.04427	1.5
111.08058	5.6
111.11699	5.4
113.09653	1.8
115.05453	2.4
117.07008	3.2
119.08562	26.6
121.06482	4.4
121.10123	57.8
123.08044	4.4
123.11670	13.9
125.09621	9.3
125.13226	1.8
128.06209	1.8
129.07002	2.7
131.08542	6.4
133.10106	37.4
135.08063	3.2
135.11679	35.8
135.12494	0.7
135.12758	1.3
137.09607	5.4
137.13246	4.0
139.11186	6.5
143.08549	2.2
145.06415	1.3
145.10101	5.5
147.08018	2.5
147.11671	26.2
149.09590	15.7
149.13210	11.4
151.11160	12.4
151.14871	1.7
157.06488	2.5
157.10123	3.6
159.11710	5.1
161.09650	3.8
161.13235	17.1
163.07408	1.5
163.11179	2.5
165.12726	3.8
171.11687	2.4
173.13272	3.4
175.07506	2.1
175.11136	2.7
175.14781	9.3
177.12770	3.0
179.10674	8.7
189.09114	1.9
189.12787	2.4
189.16428	5.6
191.06998	1.4
193.15939	1.4
199.14827	3.7
203.07063	2.0
207.10042	1.3
217.08749	1.4
217.12245	4.1
217.16164	8.0
217.19479	45.6
235.09622	3.0
235.13416	6.0
235.16914	42.6
235.20569	74.7
236.20842	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2053
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
53.03928	4.0
55.01853	3.2
55.05505	33.6
57.03431	3.4
57.06798	2.0
57.07071	28.4
58.36469	1.3
59.04988	2.7
59.50365	1.4
64.65978	1.2
64.85449	1.2
65.03931	2.8
67.05498	91.6
69.03419	5.4
69.07062	45.9
70.47460	5.7
71.04984	11.2
71.08619	2.7
71.97132	1.3
79.05483	69.4
81.03427	1.9
81.07047	100.0
83.04987	7.0
83.08609	17.2
85.06525	11.7
85.10173	2.1
91.05469	47.8
93.07034	80.5
95.04950	11.6
95.08595	86.2
97.06523	10.9
97.10161	11.2
99.08070	3.8
105.07018	43.8
106.99686	1.3
107.04972	2.1
107.08578	60.1
109.06506	11.2
109.10146	67.6
111.08054	8.1
111.11694	1.8
113.09637	2.8
115.05436	4.3
117.06997	4.5
119.08562	33.7
120.08015	1.3
121.06482	5.3
121.10131	92.1
123.04420	3.2
123.08075	7.9
123.11700	14.6
125.05980	5.9
125.09650	6.6
127.07566	1.6
127.11140	3.3
128.06169	1.7
129.06998	4.9
131.04941	1.4
131.08562	8.3
133.06477	3.4
133.10110	39.3
135.08061	5.0
135.11676	56.9
137.06018	2.1
137.09592	8.9
137.13232	5.1
139.11166	5.5
140.96529	1.6
141.07036	2.1
142.07764	2.5
143.08551	6.4
145.06415	1.4
145.10120	7.5
147.08034	5.5
147.11665	31.2
149.09619	5.1
149.13226	12.5
151.03906	4.3
151.11205	11.3
151.14803	1.4
153.12770	2.8
156.09320	2.0
157.10089	6.4
159.11655	8.0
160.05208	1.6
160.12082	1.8
161.05974	2.8
161.09613	7.4
161.13232	19.6
163.11159	2.7
163.14839	2.1
165.09109	2.8
165.12732	4.2
167.18617	1.4
171.11697	5.3
173.06036	1.6
173.13246	4.1
175.07529	3.3
175.11137	7.5
175.14841	12.9
177.12727	3.4
177.16396	1.6
179.10638	19.7
189.09070	2.0
189.12682	5.3
189.16299	10.0
199.11221	2.1
199.14862	5.9
207.08086	1.7
217.12354	8.9
217.15961	17.4
217.19461	39.8
235.07607	2.4
235.09549	3.3
235.13203	6.4
235.16911	68.5
235.20566	91.7
236.17149	2.7
236.20958	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.1
53.03931	4.3
55.01860	5.6
55.05503	36.1
56.05014	1.2
57.03419	5.6
57.07066	30.2
65.03913	3.4
66.64953	1.1
67.05496	80.5
69.03405	4.6
69.07059	49.0
71.04984	44.1
71.08614	3.9
71.50062	2.2
79.05484	66.8
81.07044	97.3
83.04958	6.8
83.08609	18.8
85.06529	9.2
85.10148	1.7
91.05463	45.3
93.07034	76.2
94.07363	1.3
95.04958	11.6
95.08592	94.1
97.06529	11.8
97.10154	11.4
98.97558	1.9
99.08083	5.3
105.07015	47.8
107.04963	2.5
107.08576	67.4
107.58604	1.1
109.06509	11.1
109.10142	51.1
111.08062	14.3
111.11698	3.5
113.09631	3.0
115.05433	3.0
117.06998	4.1
119.08562	36.5
119.09406	1.9
121.06495	10.1
121.10126	86.9
123.04393	2.3
123.08057	10.0
123.11685	16.3
125.05998	1.4
125.09614	16.1
127.11172	46.3
128.06183	2.6
129.06979	4.4
131.04951	1.4
131.08574	7.3
133.06465	2.9
133.10106	41.7
135.08054	5.8
135.11671	49.1
137.06003	1.9
137.09599	8.3
137.13272	6.9
139.11125	4.8
142.07721	1.7
143.08513	4.5
145.06430	2.4
145.10078	8.5
145.49748	1.4
146.07237	1.3
147.07970	3.7
147.11670	47.8
148.12082	1.2
149.09586	11.6
149.13243	14.7
151.07541	1.4
151.11137	8.2
151.14751	1.6
157.10089	8.3
159.11690	6.9
161.06000	2.4
161.09604	8.3
161.13229	16.8
163.11177	1.5
163.14850	2.7
165.09059	1.5
165.12738	19.2
171.08064	1.7
171.11623	3.6
172.64629	1.2
173.13248	3.7
175.07547	3.4
175.11209	5.5
175.14786	12.5
177.12686	3.9
179.10620	19.0
179.12082	1.7
189.05359	1.8
189.09042	2.6
189.12611	1.9
189.16356	7.7
191.07047	2.5
193.15868	1.6
199.14803	5.0
203.06981	1.6
205.08540	1.2
207.08055	1.3
215.09361	3.2
217.08702	2.5
217.12247	6.1
217.15924	15.7
217.19464	38.6
217.21478	2.6
231.26262	1.3
235.07719	1.6
235.09659	3.7
235.13460	5.9
235.16896	100.0
235.20551	73.4
236.17241	2.2
236.20863	1.5
246.13971	1.4
253.86842	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1687
Annotation	Rishitinol
Peak:m/z	Relative Intensity
53.03930	1.4
55.05504	10.2
57.07062	6.1
63.29537	1.0
67.05499	8.0
69.07044	5.4
71.44714	2.4
79.05472	8.8
79.67502	1.2
81.07042	11.6
83.08588	1.1
85.06499	2.4
91.05457	9.8
93.07027	8.5
95.04957	2.7
95.08585	17.4
97.06462	1.3
97.10148	6.3
99.08067	2.4
103.05422	2.2
105.07008	20.0
107.04931	3.2
107.08576	8.3
109.06489	2.1
109.10131	9.1
111.89532	1.1
115.05461	1.5
117.06966	6.3
119.08553	13.0
121.06453	3.6
121.10107	4.1
123.08035	4.1
128.06157	6.4
129.07004	6.0
131.08566	9.7
133.10123	8.5
135.08012	4.4
142.07744	7.4
143.08548	22.9
144.09329	2.7
145.10100	5.7
147.07980	2.0
147.11632	4.7
153.09097	3.5
156.09297	3.5
157.10101	19.1
159.11656	14.2
161.09579	4.8
169.10147	2.0
171.11655	5.3
173.13200	2.7
175.14772	2.7
179.10619	4.4
184.12474	1.4
188.92752	1.2
189.16339	3.8
199.14786	19.4
217.15855	21.5
235.16885	100.0
236.17233	1.9
256.30234	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1689
Annotation	Sugikurojinol A
Peak:m/z	Relative Intensity
51.25362	0.3
53.03942	0.6
55.01865	1.0
55.05503	7.3
57.03436	0.7
57.07067	6.9
59.04994	0.5
62.68041	0.3
63.87361	0.3
63.97119	0.3
65.03932	0.8
67.05494	45.6
68.05825	0.6
69.03425	1.4
69.07056	10.8
71.04988	5.1
71.08614	0.5
71.70093	0.7
79.05479	12.1
81.03435	0.4
81.07043	28.9
83.04974	1.3
83.08604	3.3
85.02939	0.4
85.06525	2.2
85.10146	0.4
91.05462	8.2
91.35294	0.3
93.07030	12.6
94.07817	0.6
95.04955	2.5
95.08591	16.3
97.02899	0.4
97.06509	2.7
97.10172	1.4
99.08091	0.9
103.05453	0.6
105.07014	10.6
107.04922	0.5
107.08572	13.0
109.06519	1.9
109.10139	100.0
110.10480	1.2
111.04431	2.3
111.08080	1.8
111.11712	0.6
113.09624	0.7
115.05452	0.6
117.07005	1.3
119.08564	9.0
121.06490	2.5
121.10126	11.1
121.10974	0.6
123.04420	0.7
123.08059	2.0
123.11698	3.3
125.05990	0.9
125.09597	1.7
127.11165	3.5
128.06241	0.4
129.06981	1.2
131.08553	2.2
133.06488	0.6
133.10112	7.9
135.08037	1.9
135.11678	8.2
137.05948	0.9
137.09563	1.6
137.13251	1.0
139.11194	0.6
142.07782	0.9
143.08537	1.8
144.09332	0.4
145.06500	0.5
145.10118	1.8
146.07312	0.4
147.08023	1.2
147.11670	6.9
149.09604	1.4
149.13249	2.7
151.03937	0.4
151.07536	0.7
151.11128	1.8
153.09113	0.5
153.12740	0.5
157.10098	2.4
159.11642	1.5
160.08818	0.3
161.05963	0.6
161.09608	4.4
161.13237	3.4
163.11086	0.3
163.14830	0.4
165.09047	0.7
165.12767	2.0
167.10663	0.4
171.11681	1.7
173.13248	1.2
175.07513	0.8
175.11261	1.7
175.14772	2.4
177.05502	0.3
177.12700	0.8
179.10652	4.1
189.12709	0.9
189.16318	2.3
191.18028	0.4
193.12204	0.4
199.11159	0.4
199.14766	1.4
207.08107	0.3
217.12344	1.8
217.15886	3.2
217.19475	6.8
235.07568	0.5
235.09599	1.0
235.13109	1.3
235.16867	21.5
235.20532	10.3
236.17010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1689
Annotation	10-epi-7,10-epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
53.03932	4.9
55.01863	6.6
55.05503	23.6
57.03424	3.5
57.07065	28.3
61.85545	2.5
65.03915	5.0
67.05495	45.7
69.03402	7.6
69.07063	28.2
69.66787	5.5
69.67205	17.7
79.05487	60.6
81.07043	73.2
83.04948	5.3
83.08596	9.1
85.06500	5.2
88.07595	3.7
91.04935	3.4
91.05471	66.2
93.07030	88.6
95.04957	21.1
95.08599	56.7
97.06506	10.3
97.10148	3.8
98.20663	4.3
99.08135	2.5
103.05444	5.9
105.07015	98.5
107.04940	21.5
107.08578	67.5
109.06511	15.3
109.10139	32.4
111.08047	4.9
115.05410	6.3
116.06206	2.6
117.07003	19.4
119.04924	3.6
119.07729	5.2
119.08565	85.7
121.06480	18.4
121.10126	56.6
123.04424	5.3
123.08035	13.9
123.11676	6.2
125.09589	3.5
128.06210	8.5
129.06975	19.2
131.08549	46.0
133.06470	46.3
133.09178	4.6
133.10114	60.4
135.08052	36.9
135.11674	16.0
137.09615	3.7
139.11183	3.2
141.06937	3.8
142.07785	7.4
143.08549	22.6
144.09210	2.5
145.06470	5.6
145.10094	22.1
146.07278	3.2
147.08028	24.6
147.11661	42.1
149.09612	21.9
149.13167	5.0
151.11150	3.8
156.09314	3.9
157.10120	38.5
159.08104	4.0
159.11687	27.7
160.08846	3.3
161.09625	31.0
161.13283	12.2
163.11218	3.6
171.11685	14.9
173.13234	38.4
175.11151	39.7
175.14780	27.3
177.12714	15.0
179.10637	17.2
184.12456	3.7
189.12720	11.4
189.16396	25.0
199.14801	27.0
217.08862	2.7
217.12338	7.6
217.15851	71.7
217.19463	11.0
235.09578	3.1
235.13188	5.7
235.16899	100.0
235.20482	33.6
236.17294	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1689
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
53.03932	1.2
55.01859	2.4
55.05503	9.7
57.03424	2.5
57.07071	22.5
59.04989	3.2
67.05494	17.7
69.03408	4.1
69.07060	13.1
69.18829	0.9
70.76559	2.1
70.76936	2.1
71.04967	3.1
79.05482	12.1
81.03416	1.9
81.06601	1.6
81.07047	20.3
81.07514	0.7
83.04955	3.1
83.08618	5.4
85.06529	4.7
91.05468	19.4
93.07030	18.0
95.04956	7.8
95.08596	25.8
97.06515	5.0
97.10091	1.2
99.08052	1.5
105.07016	30.5
105.07719	2.0
107.04972	1.6
107.08582	33.0
109.06502	9.6
109.10147	17.7
111.08054	4.3
115.05412	1.7
117.07000	6.9
119.08566	87.1
121.06478	2.7
121.10133	16.1
123.04426	1.8
123.08025	5.6
123.11693	7.0
128.06175	3.0
129.06995	4.7
130.07751	1.2
131.08542	14.6
133.06425	2.2
133.10109	47.9
135.08029	20.5
135.11679	11.1
137.09616	8.9
137.13239	2.1
142.07779	4.5
143.08522	9.5
144.09351	1.7
145.06439	1.6
145.10089	16.1
146.07262	1.7
147.08032	7.6
147.11662	19.2
149.09612	2.2
149.13237	2.0
151.11185	9.3
153.15274	1.1
156.09328	3.9
157.10112	12.1
157.37004	1.1
158.10904	3.8
159.08000	1.2
159.11688	12.4
160.08807	2.0
160.12451	1.0
161.09607	30.4
161.13240	6.7
162.10069	0.9
169.10158	1.9
170.10902	2.1
171.11693	7.0
173.13252	22.6
175.11183	14.6
175.14803	17.7
177.12726	6.5
179.10658	21.6
184.12453	3.5
187.11159	4.1
187.14783	3.1
189.12720	3.1
189.16373	20.7
191.06992	1.1
191.14328	1.9
193.15884	4.1
199.14790	11.0
202.13454	2.5
217.15855	100.0
217.19461	6.8
218.16223	3.1
235.06084	1.5
235.09532	1.8
235.16896	91.4
235.20360	10.3
236.17255	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1324
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
50.50840	0.6
53.03923	2.3
55.01851	2.0
55.05274	0.9
55.05505	10.7
55.05927	0.7
57.03417	1.3
57.07066	13.2
59.04986	0.9
65.03915	2.4
67.05493	23.7
68.79987	0.7
69.03400	2.4
69.06737	0.8
69.07059	9.9
71.04970	1.7
71.08605	0.9
71.69942	0.6
71.70367	0.7
75.65017	0.6
79.05023	1.0
79.05480	19.6
81.03392	1.9
81.07042	34.1
83.04974	9.9
83.08611	3.5
85.02854	1.0
85.06493	1.2
91.05463	27.5
93.07026	26.7
95.04353	1.0
95.04945	8.4
95.08591	48.3
96.08895	0.8
97.02885	1.2
97.06517	3.8
97.10138	1.7
99.04412	0.9
99.07964	0.6
103.05421	1.6
105.07010	35.8
107.04946	3.5
107.08575	28.3
108.09377	6.6
109.02885	3.3
109.06509	7.3
109.10137	20.2
111.04425	7.4
111.08006	0.9
115.05382	3.3
116.06217	1.0
117.07001	9.8
119.04922	2.0
119.08559	33.3
120.08904	0.8
121.02805	1.1
121.06501	5.4
121.10129	12.6
123.04404	4.2
123.08021	4.4
123.11678	2.0
125.05990	1.4
125.09598	1.9
128.06198	6.0
129.06984	12.0
130.07756	1.4
131.04904	1.0
131.08539	24.6
133.06464	5.5
133.09175	1.1
133.10112	17.3
135.04311	1.8
135.08020	4.0
135.11647	4.2
137.05971	4.3
137.09543	2.1
139.07532	1.1
141.05396	1.4
141.06944	2.4
142.07790	4.3
143.08546	19.1
144.09262	2.4
145.06450	2.8
145.10094	11.7
146.07179	0.7
147.04372	1.1
147.08029	8.3
147.11658	10.0
149.05930	2.4
149.09579	1.3
149.13194	1.0
151.07487	3.2
151.11209	0.8
153.05479	1.5
153.09082	1.4
155.07030	1.5
156.09320	13.6
157.06450	1.8
157.10106	7.4
158.10901	3.8
159.08000	3.4
159.11664	6.7
160.08731	1.2
160.12480	0.8
161.05908	4.4
161.09619	6.4
161.13243	21.8
163.07507	1.6
163.11098	0.7
165.09068	1.3
167.06943	0.7
169.08566	3.4
169.09985	1.4
171.08022	1.7
171.11659	28.0
173.05949	1.0
173.09595	1.8
173.13248	10.5
175.07529	6.4
175.11177	6.1
175.14821	4.9
177.09082	1.2
177.12704	2.1
179.06961	1.7
179.08403	1.1
179.09074	0.8
179.10619	7.0
181.10089	1.2
184.08794	2.0
187.11154	3.1
189.09050	2.3
189.12717	24.1
189.16339	10.8
191.14253	1.1
191.17915	0.8
192.09309	1.0
193.08665	1.6
193.10161	1.0
193.12195	0.8
199.11115	8.9
199.14743	3.0
205.10213	1.5
207.10020	1.0
217.12206	32.5
217.15697	8.7
217.19441	2.5
220.12469	2.4
235.13228	100.0
235.16820	39.1
235.20605	3.1
236.13522	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	233.1532
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03930	2.4
54.36719	1.1
55.01852	4.6
55.05503	10.1
57.03413	2.8
57.07060	2.2
60.04477	1.1
65.03911	2.5
67.05494	21.2
69.03427	7.3
69.07055	9.0
69.54865	11.0
71.01334	2.3
71.04977	6.2
79.05485	22.3
81.03394	4.2
81.07048	33.7
83.04974	5.6
83.08598	3.5
85.02886	2.8
85.06512	6.8
86.09671	3.5
87.04439	1.9
91.04922	2.1
91.05466	37.0
91.06037	1.8
93.07034	34.4
95.04955	12.6
95.08002	2.0
95.08593	24.8
97.02869	5.1
97.06519	11.8
97.10107	1.1
98.21443	2.5
98.97565	2.4
99.08101	1.3
103.05434	3.1
105.07014	41.9
105.07719	2.6
107.04920	5.2
107.08582	29.0
109.06501	8.8
109.10156	8.5
111.04407	2.8
111.08046	4.4
113.05946	1.0
115.05441	5.8
116.06216	3.5
116.98650	1.3
117.06984	19.1
119.04899	3.6
119.08559	31.5
119.09406	1.9
121.06478	11.7
121.10126	24.0
123.04412	1.9
123.08059	7.0
123.11688	3.5
125.09589	1.3
128.06213	4.1
129.06996	9.1
130.07748	5.8
131.04903	3.1
131.08543	40.2
133.06500	6.1
133.10101	20.8
135.08035	14.4
135.11673	10.0
137.05977	5.7
137.09584	8.0
139.07458	2.6
141.06972	4.4
142.07738	4.0
143.08536	12.3
144.09360	2.2
145.06474	8.9
145.10109	46.7
146.07147	2.0
147.04349	1.8
147.07991	9.1
147.11661	16.5
149.05986	2.5
149.09607	12.3
149.13257	5.3
151.11127	2.4
153.09113	3.2
154.07762	1.5
155.08539	8.1
156.09294	4.0
157.06549	1.4
157.10074	8.9
158.07240	2.4
158.10899	3.1
158.99628	1.5
159.08031	16.0
159.11662	26.8
160.08809	1.3
161.05975	1.8
161.09583	7.1
161.13283	8.2
163.07527	2.6
163.11154	6.8
163.14787	3.6
165.09154	2.3
167.08517	2.4
169.10135	7.7
171.11639	9.6
172.12402	2.6
173.05902	2.3
173.09627	15.0
173.13229	16.5
174.06715	2.0
174.10269	1.1
175.11156	10.8
175.14796	2.3
177.00745	1.8
177.09138	5.7
177.12711	2.7
182.10870	4.8
185.09537	1.9
185.13213	4.6
187.07556	1.9
187.11185	8.2
187.14783	17.7
189.09070	3.2
189.12718	7.0
189.16331	3.1
191.06946	1.6
191.10658	2.4
191.14294	4.4
197.13240	9.2
200.11902	2.2
203.06947	1.4
203.14284	5.2
205.08530	2.2
205.12271	2.1
205.15781	5.9
213.07874	2.0
215.07019	2.8
215.10674	4.4
215.14302	31.7
215.17818	14.6
222.08279	3.2
233.07953	7.6
233.11899	10.0
233.15331	100.0
233.18869	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1532
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03932	2.6
55.01861	1.0
55.05491	3.4
57.07056	2.6
66.92757	0.8
67.05476	3.4
69.03425	6.4
69.07043	5.1
69.89808	1.5
69.90224	4.4
71.04955	1.6
79.05483	54.2
81.07043	4.8
83.04952	1.7
83.08607	6.7
85.06520	2.9
91.05463	10.9
93.07041	6.9
95.04954	7.8
95.08588	3.5
97.05951	1.3
97.06517	18.1
98.21458	1.1
102.38451	0.8
105.04496	1.2
105.07010	12.2
107.04936	54.7
107.08575	11.2
109.06491	2.8
109.10120	1.3
111.08071	5.1
115.05395	1.5
117.07015	5.0
119.04914	2.4
119.08566	14.9
121.06473	3.4
121.10119	7.1
123.08045	2.4
125.05833	1.1
125.09617	2.5
129.06960	2.0
131.08551	12.2
133.06409	0.9
133.09163	1.3
133.10103	10.2
135.07982	4.7
135.11664	3.0
137.05945	12.6
137.09570	3.7
139.07668	0.9
141.06937	1.0
142.07779	2.0
143.08517	3.7
145.06424	1.9
145.10109	14.8
147.08028	13.5
147.11673	13.8
149.09615	8.4
149.13251	2.5
155.08525	1.1
156.09366	1.5
157.10085	4.7
158.10883	2.0
159.04486	0.9
159.05972	0.8
159.08058	2.5
159.11659	2.8
160.05087	2.5
160.08849	1.7
161.05968	2.9
163.11108	4.1
169.10104	1.4
171.11707	1.4
172.12405	1.1
173.09613	3.3
173.13235	10.8
175.11154	18.6
177.09076	1.0
177.65927	0.9
182.10951	1.4
187.11017	1.2
187.14819	3.7
189.09119	2.9
189.12701	4.4
191.03403	3.7
191.14285	64.8
197.13271	1.5
215.07033	1.3
215.10837	2.0
215.14261	9.9
233.08047	2.7
233.11931	7.3
233.15329	100.0
234.15628	1.9
235.47031	0.8
252.98396	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1533
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03930	2.4
55.01854	3.5
55.05502	8.2
57.07057	3.6
58.92696	1.4
59.04989	4.4
64.99548	1.2
65.03927	2.9
67.05495	15.6
69.03093	1.8
69.03423	21.0
69.07054	16.6
69.94250	7.2
71.04979	6.3
79.05484	45.6
79.05900	1.5
81.03397	2.2
81.06684	1.2
81.07047	15.8
83.04974	4.5
83.08593	5.7
85.02884	1.6
85.06515	5.2
87.04461	1.2
89.65231	1.4
90.77425	1.3
91.04926	2.3
91.05468	41.1
93.07033	18.3
95.04336	1.3
95.04951	30.4
95.08585	14.5
97.06517	49.2
98.20698	1.3
98.32467	1.0
103.05438	3.5
104.01387	1.3
105.04520	1.3
105.06338	1.8
105.07021	34.8
107.04934	29.4
107.08579	22.2
109.06493	10.0
109.10148	8.5
111.04396	1.3
111.08068	3.9
113.05976	4.5
114.94319	1.1
115.05413	4.9
116.06258	1.9
117.06996	13.0
119.04900	7.1
119.08564	97.2
121.06496	9.8
121.10146	18.7
123.08018	5.3
123.10854	1.2
123.11694	5.4
125.09605	3.5
128.06248	2.2
129.06989	5.2
130.07776	3.5
131.04913	2.6
131.07654	2.3
131.08556	28.4
133.06473	10.4
133.10100	16.7
135.08014	5.6
135.11650	5.7
137.05960	32.4
137.09579	6.1
141.06952	3.7
142.07764	6.3
143.08508	10.3
144.05673	3.0
144.09242	2.9
145.06438	7.8
145.08972	2.7
145.10100	43.4
147.04433	2.6
147.06871	1.5
147.08034	27.6
147.11674	13.8
149.05907	4.6
149.09605	15.2
149.13235	1.8
151.07524	1.3
151.11147	1.7
155.08549	3.5
156.09283	5.0
157.10114	15.1
158.10855	3.6
159.04245	1.5
159.08052	11.2
159.11665	11.2
160.05222	2.6
160.08858	1.5
161.05946	4.1
161.09618	2.9
161.13251	7.0
163.07481	2.9
163.11154	6.5
163.14737	1.5
166.31569	1.5
167.08521	4.5
169.10094	7.1
171.04346	1.4
171.11676	6.6
172.05127	2.4
172.12433	2.2
173.09599	11.1
173.13211	21.2
174.06543	1.8
175.11142	15.8
177.09108	5.1
177.12662	1.6
182.10899	8.4
185.09676	1.5
186.06747	1.6
187.07567	3.1
187.11139	4.2
187.14763	18.8
189.09102	8.3
189.12691	9.6
191.07040	2.8
191.10539	2.0
191.14284	34.5
197.09581	2.0
197.13260	9.5
197.14819	1.8
205.08568	1.3
205.15894	2.0
215.06946	3.4
215.10695	10.4
215.14264	22.2
215.17816	1.9
233.08063	7.5
233.11768	25.2
233.15320	100.0
233.19029	5.1
233.22881	4.1
234.15605	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1532
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03915	2.9
55.01869	6.0
55.05507	9.0
57.03416	3.2
57.07055	1.8
65.03931	3.5
67.05493	17.2
69.03399	4.1
69.07058	39.3
71.04976	1.8
71.24810	3.2
71.65859	1.0
72.60382	0.9
79.05482	27.9
81.07042	17.5
83.04952	4.0
91.05465	65.0
93.07030	21.3
95.04954	7.7
95.08595	22.3
97.06517	90.8
97.10117	1.1
98.06812	1.3
103.05457	2.3
105.07010	33.0
107.04925	4.9
107.08569	18.5
109.06507	7.0
109.10149	13.5
115.05434	5.3
116.06232	3.4
117.07005	19.4
119.04928	19.6
119.05737	2.1
119.08559	25.5
120.15163	1.3
121.06485	9.2
121.10143	10.4
123.04413	3.5
123.08050	2.1
123.11691	1.4
125.09624	1.1
128.06171	3.3
129.06981	7.9
130.07742	4.3
131.04906	3.1
131.08549	54.2
133.06454	5.3
133.10112	10.2
133.85909	1.1
135.04410	2.1
135.08009	6.4
135.11658	2.4
136.05232	1.5
137.05959	100.0
137.09531	5.9
139.41118	1.1
141.06952	4.2
142.07681	1.6
143.08551	9.1
144.05644	2.5
144.09283	3.3
145.06458	12.1
145.10104	40.3
147.04362	7.7
147.08037	2.5
147.11662	12.1
149.05965	3.9
149.09595	4.3
149.13258	1.9
151.07507	2.3
154.07744	3.1
155.08517	2.8
156.09384	2.3
157.10075	6.4
158.07199	1.6
158.10864	2.1
159.04309	1.4
159.08032	14.0
159.11668	17.9
160.05186	3.3
160.08801	1.3
161.05952	2.5
161.09599	2.6
161.13229	2.5
163.03882	2.1
163.07512	7.0
163.11197	1.6
163.14793	2.1
165.05484	2.8
167.08568	1.9
168.05650	2.1
169.06451	2.3
169.10088	5.3
171.08147	1.6
171.11687	1.9
172.08827	1.1
172.12408	2.2
173.05940	4.8
173.09579	8.4
173.13261	8.0
175.11139	8.2
177.09077	4.9
177.12701	1.5
177.16359	1.6
182.10933	2.3
185.09523	2.4
186.06725	2.6
187.07465	2.9
187.11133	3.8
187.14806	35.6
189.09052	8.2
189.12715	2.1
189.16331	1.5
191.03282	1.6
191.06998	18.6
191.10652	2.6
191.14261	2.5
197.09607	3.3
197.13216	4.8
200.11903	2.5
204.07883	1.3
205.08449	1.6
205.15846	8.7
215.07043	3.1
215.10741	13.8
215.14278	28.5
215.17569	1.9
233.07932	3.5
233.11682	52.0
233.15335	50.6
233.17874	1.6
233.19034	3.0
234.11951	1.4
234.15448	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1532
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03922	3.1
53.50644	1.2
55.01849	3.0
55.05502	11.5
56.96577	1.3
57.03421	1.9
57.07056	4.4
59.04976	1.8
65.03927	1.7
67.05495	17.7
69.03393	3.8
69.07054	17.7
70.89069	3.1
70.89477	3.0
72.83196	1.3
79.05476	23.6
79.16904	1.5
81.03387	1.6
81.06607	2.0
81.07045	30.3
83.04971	4.6
83.08590	4.2
85.10151	1.7
91.04923	2.3
91.05462	36.5
93.07033	22.4
95.04951	9.5
95.08589	25.6
97.06520	15.9
97.10159	2.7
103.02206	1.3
103.05442	2.9
104.98984	1.5
105.07016	35.8
107.04942	15.4
107.08572	21.0
109.06525	8.2
109.10136	12.0
115.05430	5.1
116.06230	1.8
117.07000	23.5
119.04921	4.2
119.08559	32.0
121.05714	2.2
121.06490	27.8
121.10119	13.5
123.08061	5.1
123.11622	1.9
125.05940	2.8
126.91719	1.3
128.06200	1.6
129.04797	1.2
129.06964	6.7
130.07791	2.1
131.08549	37.9
132.08865	1.6
133.06418	5.1
133.10112	11.3
135.08049	14.8
135.11655	3.4
137.05922	11.2
137.09586	3.8
139.07579	2.4
140.76212	1.4
141.06935	4.2
143.08525	5.7
144.05685	1.7
145.06459	22.2
145.10098	29.7
147.04428	1.6
147.08025	3.9
147.11667	9.7
149.05936	2.5
149.09602	8.0
149.13316	2.9
151.03249	4.1
151.07503	2.7
155.08525	6.6
156.09331	2.9
157.10178	6.5
158.10878	4.4
159.08012	12.6
159.11652	11.3
161.09599	4.7
161.13251	4.0
163.03807	1.5
163.06201	2.7
163.07513	43.3
163.08885	2.3
163.14751	3.0
165.09058	1.8
167.08533	2.3
169.10075	5.1
171.11656	4.2
172.12375	2.7
173.09599	5.8
173.13246	25.8
175.11134	5.8
177.05516	8.5
177.09082	10.3
177.12720	5.6
178.06238	5.2
182.10857	4.2
187.11108	1.5
187.14780	16.7
189.08974	2.3
189.12695	4.3
191.03455	1.6
191.07065	3.8
191.10603	3.8
191.14227	9.0
192.39534	1.5
197.13321	6.8
201.12662	2.0
205.08559	1.6
205.15912	2.6
215.10675	4.3
215.14313	11.0
215.17865	4.7
219.70370	1.9
233.04407	2.7
233.08070	2.9
233.11868	13.1
233.15321	100.0
233.18733	9.0
234.15582	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1532
Annotation	Oculatol
Peak:m/z	Relative Intensity
50.72148	0.5
55.05500	2.7
55.56036	0.6
67.05496	4.6
69.07054	3.5
69.55353	3.6
69.55781	2.4
79.05469	4.4
81.06637	0.9
81.07041	6.0
83.08580	0.6
91.05458	9.7
93.07031	6.8
95.04932	2.3
95.08606	6.5
105.07019	8.8
107.04913	2.3
107.08570	4.1
109.06509	1.2
109.10128	4.9
115.05396	3.4
116.06255	1.4
117.06982	7.9
117.46562	0.7
119.04967	1.3
119.08581	5.5
121.06483	5.2
121.10088	1.2
123.08051	0.9
128.06183	1.6
129.06981	4.1
130.07767	2.0
131.04903	1.6
131.08560	12.1
132.05740	0.7
133.06461	7.5
133.10046	1.4
135.08047	3.0
136.19017	0.7
141.06961	2.7
141.91074	0.7
142.07701	1.3
143.08501	3.7
144.05655	2.0
144.09274	0.9
145.06461	15.1
145.10107	16.5
146.07236	1.0
147.08026	8.0
147.11664	1.0
150.72287	0.8
153.06963	1.5
155.06032	0.9
155.08504	4.9
156.09293	0.9
157.10095	3.9
158.07260	4.7
158.10953	1.0
159.08023	14.2
159.11665	3.0
160.08722	2.1
161.09572	1.6
165.09091	0.8
167.08557	2.3
169.10124	2.2
171.07988	1.5
171.11609	1.9
172.08763	0.9
173.09599	28.2
173.13196	4.6
174.10210	1.0
175.11188	4.1
182.10881	2.3
185.09584	2.3
186.10413	2.0
187.11159	4.4
187.14775	4.6
197.13182	4.2
199.11166	0.7
200.11896	2.9
215.14281	21.4
233.15331	100.0
234.15712	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1493
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
56.05028	17.4
57.03424	3.1
58.06592	3.7
67.05488	0.5
70.96022	1.4
71.99574	0.5
72.08166	0.6
74.06070	100.0
74.84764	0.5
75.04497	0.4
79.05482	0.5
82.06557	0.4
84.04494	3.3
84.08103	0.7
85.02913	0.6
85.06493	0.5
85.87843	0.4
86.09696	23.1
87.10032	0.5
91.05462	0.7
97.02894	0.5
98.97620	0.6
101.07124	2.3
123.05659	0.4
126.12785	0.5
132.10187	19.9
135.49397	0.4
142.12267	0.9
143.11768	0.8
169.13379	1.7
175.11166	0.5
187.14403	11.1
215.13890	3.8
223.56635	0.5
233.14972	8.6
234.14948	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1168
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
51.27602	0.9
51.66828	0.8
53.03936	1.1
55.01849	2.3
55.05498	2.2
57.03409	1.8
57.22057	0.8
64.44758	1.0
67.05503	6.0
69.03402	2.8
69.07047	6.3
71.04969	1.6
71.70688	1.3
73.71891	0.8
74.06059	1.0
79.05479	8.5
81.03412	1.5
81.07050	7.9
83.04942	2.8
83.08630	1.0
85.06496	1.6
88.07629	1.0
91.05461	15.3
93.07047	7.1
95.04941	2.7
95.08600	5.9
97.06515	22.4
99.04441	1.1
103.05426	1.9
105.07020	9.9
107.04921	2.7
107.08576	4.8
109.02811	0.9
109.06472	2.3
109.10120	3.8
115.05408	5.1
116.06205	0.9
117.07010	7.1
117.58914	0.8
118.08691	0.9
119.04906	4.4
119.08541	11.3
121.06496	5.8
121.10091	3.2
128.06197	4.2
129.06998	7.1
130.07718	1.1
131.04889	3.2
131.08545	10.2
133.06490	2.2
133.10135	4.5
135.04401	1.1
135.08003	2.2
135.11655	1.7
137.05948	14.2
141.06955	7.5
142.07722	2.2
143.08522	4.8
144.05661	2.9
145.06473	12.0
145.10083	10.6
146.07239	1.7
147.04385	3.0
147.08049	2.0
147.11678	2.9
149.05952	3.2
149.09592	1.6
151.07494	4.1
153.06999	2.0
154.07701	3.3
155.05934	1.6
155.08536	1.4
156.05609	1.3
157.06425	8.3
157.10164	1.7
158.07236	6.7
159.04393	1.6
159.08052	14.9
159.11694	9.3
160.05183	2.6
160.08791	1.0
161.05980	6.3
161.13139	1.2
162.06648	1.3
163.07486	3.4
163.11111	1.5
168.05672	3.2
169.06453	7.2
169.10071	5.8
170.07170	1.7
171.08023	8.4
172.05173	3.7
172.08806	20.5
173.05954	14.5
173.09558	8.6
173.13235	3.1
174.06636	4.6
174.10353	8.7
175.07506	4.3
175.11211	1.9
176.08315	2.4
177.05527	1.1
177.09100	4.9
183.08018	1.1
184.08783	9.2
185.05959	4.7
185.09573	1.4
186.06717	2.4
187.07533	6.3
187.11200	5.5
187.14821	4.5
188.08305	48.0
189.09073	14.0
190.09906	1.8
191.06999	2.0
191.10683	1.6
197.09572	3.2
197.13213	1.4
200.04640	1.6
200.08284	8.3
201.08932	1.1
202.09805	3.1
203.10648	42.8
205.06555	1.4
205.08551	2.4
205.12187	15.5
215.07214	2.0
215.10645	34.9
215.14255	4.0
215.17854	4.2
216.11021	1.6
218.05763	1.8
233.08261	8.5
233.11694	100.0
233.15135	11.0
233.18948	6.8
233.22246	3.6
234.12027	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	233.1168
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
53.03943	1.3
55.01855	2.6
55.05501	3.5
57.03423	4.6
57.74379	0.8
61.05138	0.7
66.93214	0.6
67.05502	3.6
69.03397	1.0
69.07055	3.6
69.41576	7.6
71.04982	0.8
79.05083	0.6
79.05469	4.0
81.03391	0.9
81.07047	3.7
83.04940	1.1
83.08609	1.0
91.05466	8.0
92.92706	0.7
93.07018	3.3
95.04961	1.2
95.08593	3.8
97.06520	8.7
98.21407	1.1
103.05442	2.1
105.07017	7.5
107.04897	1.1
107.08581	5.4
109.06483	2.0
109.10126	1.7
109.19136	0.7
111.08038	1.1
115.05415	4.9
116.06240	1.1
117.06988	8.3
119.04919	2.0
119.08567	8.9
121.06494	3.2
121.10111	2.9
123.04400	1.2
124.49553	0.6
125.09522	0.8
128.06183	4.5
129.06981	7.3
130.07739	2.5
131.04913	4.0
131.08553	10.8
133.06473	2.7
133.10097	2.2
135.08017	1.3
135.11658	0.8
137.05968	6.2
137.09596	0.9
140.06158	3.5
141.06979	17.9
142.07822	0.9
143.08533	5.2
144.05649	2.0
144.09305	1.0
145.06451	8.5
145.10110	6.9
147.04356	2.2
147.08041	1.6
147.11670	2.5
149.05954	13.1
152.06183	1.6
153.06934	3.4
154.07748	17.9
155.04884	1.0
155.06064	0.8
155.08443	2.7
157.06430	2.3
157.10091	4.0
158.07257	5.8
159.08020	9.7
159.11674	9.4
160.05191	2.6
160.12213	0.6
161.05959	9.0
161.09587	1.7
161.13187	0.8
163.03868	1.5
163.07535	6.1
163.11145	1.3
167.08543	1.9
168.05678	11.1
169.06458	12.6
169.10103	29.8
171.08000	2.6
172.05212	3.9
172.08769	1.9
173.05968	8.7
173.09532	3.1
173.13213	2.2
174.06693	2.1
175.07536	3.1
175.11046	0.9
175.14749	0.9
176.08315	2.0
177.05435	2.9
177.09041	2.0
178.07687	1.0
179.08514	4.3
181.06485	1.4
182.07220	1.8
185.06023	3.3
185.09607	7.0
186.06743	24.0
187.07539	13.6
187.09167	1.0
187.09526	0.9
187.11159	12.6
187.14752	4.4
189.05437	1.2
189.09061	7.9
189.16351	1.5
190.06232	1.0
191.07008	4.8
197.09596	28.2
200.04543	1.0
200.08174	1.5
202.06206	1.2
203.06981	2.4
203.10599	2.4
204.07799	3.5
205.08562	2.3
205.12192	6.2
215.10652	82.8
215.14194	3.6
215.17807	2.0
216.11018	2.8
218.05702	1.6
231.10030	1.7
233.08305	7.8
233.11687	100.0
233.15048	7.0
233.18990	4.6
234.11948	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	233.1168
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
51.02366	0.5
51.21377	0.5
55.01851	2.1
55.05492	2.1
57.03423	5.3
57.07053	0.6
67.05493	3.0
69.03416	1.0
69.07049	2.0
70.59088	1.6
71.04971	0.7
74.09725	0.6
74.10192	0.5
79.05479	3.4
81.03384	0.6
81.07032	4.5
83.04923	0.8
85.06505	0.5
91.05466	10.9
93.07025	4.0
95.04932	3.0
95.08578	2.8
97.06520	1.2
99.04450	0.7
102.04666	1.0
103.05428	1.9
104.06254	0.6
105.03349	1.1
105.07015	6.2
107.04937	2.0
107.08569	4.4
109.06494	1.9
109.10127	1.0
110.05978	0.5
111.08073	0.7
115.05432	15.5
116.06219	9.8
117.07000	16.0
118.07338	0.5
119.04909	1.4
119.08555	5.9
120.05688	1.0
121.06476	3.5
121.10155	2.8
123.04384	1.2
123.08062	0.9
127.05392	0.7
128.06177	3.1
129.06993	5.9
130.04153	1.0
130.07745	1.1
131.04904	4.5
131.08537	9.1
132.05670	2.0
133.06464	2.9
133.10095	2.7
135.08009	2.6
135.11665	1.5
137.05980	0.7
137.09637	0.8
140.06204	1.0
141.06967	9.8
142.07770	1.1
143.04880	2.6
143.08551	2.9
144.05681	18.3
144.09343	1.0
145.06462	19.7
145.10083	6.1
147.04381	7.0
147.08034	2.1
147.11661	1.6
149.05931	4.9
149.09587	2.2
151.07568	0.6
153.06946	1.1
154.07762	9.7
155.04869	1.0
155.06009	2.5
155.08469	1.6
157.06436	2.7
157.10101	3.2
158.07220	2.8
159.04402	0.8
159.08028	6.4
159.11667	5.6
160.05173	3.9
161.05959	10.6
161.09598	1.3
162.06694	2.1
162.10271	0.5
163.03870	1.4
163.07487	2.8
163.11108	0.7
167.08508	1.0
168.05670	6.8
169.06451	6.9
169.10103	17.6
171.04427	2.7
171.07996	1.6
171.11708	1.0
172.05162	56.9
173.05928	8.1
173.09602	3.2
173.13252	2.0
174.06738	2.0
175.03842	2.7
175.07449	2.8
175.11133	2.1
176.04597	0.7
176.08286	1.4
177.05438	1.8
177.09045	2.2
179.08531	2.0
181.06386	0.6
182.07205	1.1
184.54892	0.6
185.05933	1.2
185.09605	3.2
186.06734	12.4
187.07481	8.0
187.11134	7.2
187.14763	1.8
189.05336	2.6
189.09052	2.9
189.12741	0.8
190.06206	12.0
191.07036	2.8
191.10690	0.8
197.09572	16.9
197.13216	0.7
200.04655	13.2
200.08235	0.6
201.05353	1.7
203.03261	0.9
203.07042	2.8
203.10672	0.9
204.07791	1.6
205.08554	28.3
205.12010	2.5
206.08870	1.3
215.07233	1.3
215.10635	44.3
215.14217	2.2
215.17937	1.4
216.10951	1.2
217.04929	1.2
218.05690	26.9
219.06078	0.6
231.10201	0.6
233.08041	100.0
233.11684	39.4
233.15167	8.4
233.18810	2.4
234.08357	3.7
234.12000	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1168
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
53.03931	0.7
53.39202	0.5
55.01851	0.6
55.05495	1.2
56.05029	0.5
57.03382	0.5
57.07067	0.6
65.83707	0.4
67.05488	3.6
69.03418	4.5
69.07065	1.2
69.39592	3.8
69.40015	1.5
71.04965	1.6
74.06038	1.7
77.03927	0.6
79.05484	4.9
81.03386	1.1
81.07046	4.2
83.04953	2.0
85.02870	0.8
85.06523	0.8
86.09687	4.1
89.03912	0.5
91.05463	9.1
93.07035	5.4
95.04962	3.3
95.08597	2.9
97.02846	0.8
97.06522	3.4
98.97546	0.9
99.04416	0.5
103.05432	0.6
103.94957	0.5
105.07014	7.9
107.04935	1.0
107.08582	5.2
109.06481	3.0
109.10131	0.7
111.04412	1.6
111.08022	0.8
115.05456	2.3
116.06171	0.6
116.98589	0.6
117.07001	4.9
119.04906	0.7
119.08559	11.6
120.08077	2.3
120.08867	0.7
121.06488	3.9
121.10106	2.3
123.04439	0.7
123.08046	3.2
128.06190	1.9
129.06964	4.1
130.07787	1.1
131.04912	1.4
131.08546	8.3
133.06453	0.9
133.10124	3.3
135.08029	100.0
136.06155	1.4
136.08353	1.5
137.05942	2.2
137.09578	1.0
139.07541	1.4
141.06944	3.4
142.07840	0.9
143.08542	3.2
144.05678	0.9
144.09312	3.3
145.06458	3.7
145.10110	8.1
146.05914	0.5
146.11664	1.0
147.04396	0.6
147.05515	1.0
147.08029	2.1
147.11673	1.9
149.05971	0.7
149.09590	1.2
151.07536	2.7
153.06970	0.7
154.07759	1.8
155.08505	2.0
156.09319	7.7
157.06448	3.0
157.10139	2.5
158.07237	4.0
159.08037	7.3
159.09213	0.9
159.11665	18.9
160.08684	0.8
160.12086	0.5
160.65758	0.5
161.05920	0.6
161.07146	0.6
161.09593	2.7
162.07880	2.5
163.07484	0.8
163.11153	0.7
167.08505	0.8
169.10112	6.0
170.10881	1.6
171.08066	1.0
171.11664	3.4
172.06419	1.0
172.08810	17.1
173.05977	1.5
173.09589	21.5
173.13164	2.7
174.10313	1.5
175.03789	0.6
175.07541	1.5
175.11186	2.4
177.08936	0.6
182.07269	0.7
182.10857	0.6
187.07512	1.3
187.11151	36.7
187.14761	1.8
188.11441	0.9
189.12704	3.2
190.98450	0.5
191.06876	0.7
191.10623	1.2
191.14383	1.0
197.09550	1.8
197.13310	1.1
200.08395	0.7
205.09796	1.5
205.12250	1.5
215.10640	23.2
215.13925	3.5
233.08136	1.8
233.09225	3.8
233.11577	15.2
233.15247	9.4
233.17189	1.1
233.19113	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0804
Annotation	Methyl piperate
Peak:m/z	Relative Intensity
53.03934	2.5
55.01869	1.7
55.05503	1.8
56.05018	1.2
57.03426	6.8
57.07055	1.2
67.05485	3.5
69.03421	2.2
69.07033	1.6
71.04981	1.3
71.09395	3.2
72.08150	1.5
74.06060	3.1
79.05478	6.6
80.68253	1.0
81.03403	3.5
81.07047	5.6
83.04982	2.2
86.09704	1.8
89.03902	3.5
90.30874	1.1
91.05463	14.2
93.07030	6.8
93.68797	1.2
95.04948	4.1
95.08588	4.6
97.02877	1.2
97.06506	1.5
103.05443	12.2
105.07021	14.1
107.04954	3.5
107.08566	6.7
108.59321	1.0
109.02869	2.1
109.06497	2.1
109.10107	1.3
109.20601	1.1
111.04424	1.3
111.88687	1.1
115.05421	8.4
116.06234	7.2
117.03365	1.4
117.07001	19.5
119.04917	12.8
119.08556	8.3
120.08062	1.2
121.06474	3.4
121.10133	4.9
122.03616	1.9
123.08045	1.9
128.06201	12.6
129.06985	40.5
131.04912	22.4
131.08545	10.6
133.06480	4.4
133.10115	4.8
135.04382	15.0
135.08000	5.6
135.11697	1.4
137.44695	1.1
139.05437	6.0
141.07004	3.4
143.04919	2.7
143.08556	2.6
144.05675	7.9
144.09296	1.3
145.06471	36.2
145.10104	11.5
147.04385	100.0
147.07964	6.6
147.11667	2.0
148.04752	2.7
149.02275	1.6
149.05936	1.8
149.09569	3.8
155.04839	4.2
155.06085	2.9
155.08403	1.4
156.09346	1.8
157.06476	37.5
157.10109	3.2
159.04396	18.9
159.08057	4.3
159.11696	4.1
161.05952	61.2
163.07532	1.3
163.11084	2.7
169.10152	3.6
171.11671	2.4
172.05180	4.5
173.05975	16.1
173.09628	4.4
173.13257	4.4
174.06688	7.1
175.03883	97.0
175.07466	12.2
175.11140	4.2
176.04280	1.1
177.05449	16.5
177.09117	3.2
182.10928	1.2
185.05966	14.6
185.56013	1.3
187.07504	44.2
187.11140	3.8
187.14796	3.9
188.04689	1.7
189.05446	11.1
191.06944	1.9
191.10698	1.7
197.05966	2.2
197.13268	1.8
201.05504	2.1
202.06223	12.9
203.06990	63.1
204.07382	1.4
205.08553	4.2
215.06972	15.4
215.10663	4.5
215.14212	6.2
218.02110	1.4
233.04482	1.7
233.08011	26.4
233.11346	5.7
233.12950	1.9
233.15274	23.5
233.19023	1.8
237.55215	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.154
Annotation	Butyryl-L-carnitine
Peak:m/z	Relative Intensity
57.03426	1.7
58.06587	0.4
60.08152	9.5
67.92711	0.2
70.88165	0.9
71.04984	1.6
72.08154	0.3
84.08112	0.5
85.02888	100.0
86.03232	0.6
86.09708	0.3
89.06030	0.4
144.10162	2.3
173.08066	9.7
209.18149	0.3
232.15387	19.3
233.04332	0.3
233.15700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42518	2.7
52.82444	3.0
55.01875	3.9
55.05492	12.3
56.05016	8.3
56.96299	5.4
56.96556	67.3
57.03426	10.8
58.99857	4.3
61.02919	36.2
69.03426	10.8
70.06573	4.0
71.56431	6.4
72.07767	5.2
72.08143	85.0
73.02899	11.4
74.06066	42.0
74.71713	3.2
79.05483	6.1
81.03389	5.9
84.04486	7.3
84.08123	11.3
84.96001	5.3
85.02897	17.8
86.06023	4.5
86.09695	31.3
86.97610	2.9
87.04451	3.7
91.03924	2.9
93.07037	3.4
97.02868	12.9
98.97566	12.5
100.99127	10.5
101.00854	24.6
103.00608	6.0
103.02431	8.9
105.02176	8.8
109.02853	7.5
110.97554	8.7
113.02299	5.9
114.05431	3.0
115.02398	12.6
116.98613	7.3
117.04012	3.8
119.00175	11.6
119.01907	100.0
119.02753	5.9
119.03688	3.4
121.01646	41.1
121.03434	5.0
123.03220	7.6
127.02391	3.9
128.98566	11.2
131.01886	11.3
132.10231	6.5
133.01678	4.8
133.03447	67.1
135.03221	4.4
135.05020	6.7
137.02936	27.0
139.02682	12.5
143.00082	3.5
143.01874	29.1
144.98085	4.7
144.99802	3.7
145.01648	3.2
145.03435	43.4
146.99640	18.3
147.03210	11.5
147.04988	9.4
149.01163	8.6
149.02827	5.1
149.06577	3.1
151.04544	23.8
152.04482	3.1
152.96616	3.1
157.03442	13.0
160.04570	2.9
161.02934	54.6
162.03235	4.4
162.99170	15.7
163.02696	9.2
163.04466	20.5
165.00681	19.7
165.04268	11.3
167.02055	5.9
173.01457	5.1
173.03015	22.8
175.02675	3.5
175.04510	21.1
177.02422	8.9
183.01701	6.3
184.04498	3.3
185.02921	5.5
187.00848	8.6
187.04430	6.8
187.14429	6.0
189.00803	3.6
189.02435	9.0
189.06010	3.7
190.98604	18.2
191.02213	33.2
191.03993	57.9
201.02457	11.6
203.03998	6.1
205.01810	5.1
207.03432	4.6
208.99672	36.6
209.03253	10.1
214.05592	4.1
215.00290	5.5
219.03566	3.7
227.00644	4.6
229.01830	3.7
233.01234	7.4
233.04796	12.4
233.08214	3.9
233.12225	5.5
233.15225	8.6
247.06912	3.3
251.02281	20.9
251.04581	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	231.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.4
55.05493	7.2
57.07052	3.7
60.21984	1.6
67.05492	22.6
69.07057	11.9
69.55627	1.6
71.71380	2.9
79.05483	9.5
81.06606	2.2
81.07046	35.7
83.08590	4.4
91.05466	12.6
93.07031	26.7
95.08009	3.5
95.08591	62.9
101.99706	1.6
105.07027	20.6
107.07900	2.8
107.08578	33.4
109.10139	41.6
119.08552	16.9
121.10124	34.1
123.11691	27.4
131.08546	2.0
133.10109	12.6
135.11665	34.0
137.13194	4.9
145.10048	2.7
147.11667	17.8
149.13242	20.4
157.10071	2.7
159.11740	2.0
161.13229	19.0
163.14809	2.7
175.03870	2.5
175.14815	19.4
185.13264	2.7
189.16374	16.8
231.13754	3.5
231.21045	100.0
232.21405	2.7
234.03481	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.17
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03938	1.1
54.78318	0.5
55.01862	0.9
55.05503	11.5
56.05021	1.0
56.96540	0.8
57.03429	0.7
57.05789	0.8
59.06126	0.5
64.51397	0.5
64.92267	0.5
67.05504	1.0
69.03421	4.0
69.07062	0.6
70.06574	1.0
70.43887	0.4
71.04980	0.8
71.70441	0.7
72.08144	100.0
79.05495	1.1
81.03415	1.9
81.07034	1.2
85.02902	2.1
86.09693	7.1
87.04500	0.6
91.05470	1.8
93.07032	1.4
95.04967	0.8
95.08605	1.1
97.02855	1.2
97.06539	0.7
98.05981	0.5
98.98448	0.5
99.04453	0.7
103.05466	0.8
105.07014	2.7
107.04977	0.7
107.08558	0.6
109.02880	0.7
111.04438	0.6
115.05449	1.0
116.98650	0.7
117.07021	1.3
119.04929	0.6
119.08583	1.3
127.03949	1.0
128.06255	0.9
129.07016	2.1
131.04948	0.8
131.08575	2.0
132.10146	3.1
142.07788	1.3
143.08585	2.1
145.06398	0.6
145.10139	1.4
147.04446	1.4
147.07994	0.7
157.06433	0.5
157.10103	1.9
159.08160	0.5
159.11691	1.3
161.06024	0.5
161.09628	0.6
171.08066	0.6
171.11746	0.6
173.09654	0.6
175.03865	2.8
175.07516	1.0
183.08011	0.5
185.09679	1.1
185.13278	3.6
185.16451	1.1
187.47031	0.5
189.12587	0.6
195.11682	0.7
203.07014	0.6
203.10583	0.7
203.14496	0.5
213.12793	1.1
213.42241	0.4
231.03038	2.3
231.06508	0.9
231.10028	3.0
231.13669	3.9
231.17068	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	231.1376
Annotation	Volvatellin
Peak:m/z	Relative Intensity
53.03923	3.5
55.01844	3.1
55.05495	6.2
56.96529	1.7
57.03416	2.9
57.07043	1.4
59.04966	1.1
65.03913	2.1
67.05481	9.9
68.99796	1.3
69.03419	12.1
69.07040	4.2
70.95848	2.7
70.96220	2.1
71.01331	2.6
71.04972	3.4
72.08122	3.2
77.03905	1.3
79.05470	12.8
81.03409	8.2
81.07045	12.5
83.04945	4.7
83.08569	1.5
85.02894	5.4
87.00827	1.7
91.04916	1.7
91.05457	25.3
93.07030	21.6
95.04947	10.6
95.08591	11.9
97.02874	7.8
97.06491	2.9
98.97586	2.6
99.04430	1.4
99.06399	1.0
103.05431	3.7
105.06326	2.2
105.07007	33.6
107.04915	4.5
107.07912	1.4
107.08578	14.8
109.02848	2.2
109.06485	3.8
109.10122	5.0
111.04379	2.3
115.05431	3.8
116.06196	1.3
116.98615	1.9
117.06998	10.0
119.04877	2.7
119.08559	23.0
120.18422	1.2
121.06500	7.2
121.10132	9.6
121.52307	1.0
123.04363	4.9
123.08057	3.4
125.05913	1.8
127.03905	3.3
128.06201	14.7
129.06975	21.4
129.07942	1.3
130.07756	2.2
131.04892	3.4
131.08549	21.4
133.06456	5.2
133.10089	13.1
133.10995	1.6
134.10472	1.0
134.99586	1.2
135.08005	4.6
135.11638	1.4
137.05954	3.3
141.06944	8.3
142.07777	15.3
143.08537	38.3
144.09209	3.6
145.06421	6.1
145.10097	27.2
146.07155	1.9
147.04414	1.9
147.08037	9.0
147.11650	5.8
149.05949	3.0
149.09601	1.6
151.07455	2.4
153.06946	3.6
155.08521	8.8
156.09305	8.9
157.06467	5.0
157.10092	35.1
158.07242	1.3
159.08058	8.9
159.11674	12.1
160.08749	1.2
161.05927	4.2
161.09596	9.0
161.13234	4.3
163.07513	1.4
165.06972	8.7
167.08479	3.5
168.09311	3.9
169.10095	5.2
170.10884	8.8
171.07990	10.0
171.11650	17.4
172.08749	3.4
172.12386	1.7
173.05954	1.4
173.09598	11.5
173.13211	8.1
175.03865	3.1
175.07536	7.1
175.11130	5.2
175.14799	2.2
180.09285	4.7
183.07990	2.5
183.11641	6.4
185.09593	6.2
185.13235	30.9
186.13559	1.7
187.11145	6.3
187.14758	1.7
189.09090	5.5
189.12733	4.3
195.11649	11.2
198.10300	2.8
201.12665	6.1
203.08807	1.5
203.10622	4.4
203.14259	8.9
205.79695	1.3
213.09149	1.9
213.12703	29.7
213.16058	5.5
231.06386	3.0
231.08206	3.0
231.10382	7.2
231.13757	100.0
231.17131	9.7
232.14064	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	231.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	2.0
58.99862	0.9
61.02903	1.1
61.21405	0.7
63.35170	0.8
68.98269	1.7
69.03400	0.7
70.06561	1.8
70.52811	3.2
73.01452	0.7
73.02907	0.8
77.00877	1.4
82.99842	1.5
85.01390	4.2
85.02866	0.9
86.99300	1.8
91.02426	1.2
98.97568	3.1
101.00214	1.5
101.00864	23.3
103.00615	1.1
103.02433	21.9
112.07625	0.8
113.00859	1.8
115.02401	1.2
116.98584	1.4
117.03995	7.2
119.01904	71.9
120.01936	1.3
121.01700	3.9
121.02626	1.1
121.03471	9.8
125.65245	0.7
127.02393	2.4
128.98526	0.8
129.00342	2.9
131.01897	4.8
133.03439	5.8
134.99626	1.1
135.05032	7.1
137.02930	19.9
142.03479	3.0
143.01907	2.5
145.03447	46.8
146.03619	1.6
146.99603	1.1
147.01366	25.1
147.03145	1.0
149.02916	1.7
151.04475	2.2
155.01852	2.3
157.03455	3.1
159.28999	0.8
160.91673	0.7
161.02939	20.6
163.04504	23.9
165.02440	9.3
168.05115	2.1
170.03059	0.8
171.01346	15.6
172.01488	0.9
173.02931	6.7
179.04027	4.4
183.03479	1.7
185.02982	4.1
186.06094	0.9
187.04486	3.1
189.02419	100.0
190.02621	2.3
191.04012	1.5
201.02420	1.0
203.04028	3.7
205.05519	1.2
207.03477	25.4
208.04605	4.2
212.03979	3.6
213.02330	1.3
213.05872	0.9
231.03488	25.0
231.07079	1.9
231.15987	1.0
249.04562	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	231.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.0
55.56717	0.3
57.07032	0.3
64.25032	0.3
67.05474	1.3
69.03426	0.4
69.07063	0.4
71.70992	0.5
71.74220	0.3
72.91983	0.3
77.95836	0.3
79.05466	1.1
80.79526	0.4
81.03404	0.4
81.07030	0.8
85.02899	0.5
91.05453	2.3
93.07034	1.2
95.04958	0.6
95.08591	0.8
103.05436	1.7
105.07000	1.3
107.08568	1.1
109.02856	1.1
109.10108	0.6
115.05439	14.0
117.06162	0.7
117.07000	13.0
119.04908	0.4
119.08552	1.5
121.10136	0.5
128.06186	1.1
129.07010	1.7
131.04924	2.1
131.08563	1.2
133.06531	0.3
133.10088	1.3
135.04311	0.4
142.07797	0.4
143.04897	4.5
143.08514	1.3
144.05528	0.4
145.06456	6.4
145.10092	1.3
147.04362	0.9
147.11667	0.7
155.04897	1.4
155.08527	0.6
157.06531	0.5
157.10094	1.5
159.04390	5.7
159.11629	1.1
161.05931	1.6
161.13274	0.6
167.08583	0.3
170.10797	0.3
171.04448	0.5
171.08000	0.5
171.11639	0.6
172.05168	2.1
173.05959	34.5
174.06488	0.5
175.03848	1.7
175.07515	2.3
185.05972	4.9
185.09602	0.6
185.13203	1.8
187.03911	1.0
189.05428	0.7
189.12691	0.4
201.05437	100.0
202.05807	2.8
203.06982	1.7
203.14117	0.5
213.05429	5.5
213.09032	0.5
213.12796	0.8
213.16393	0.7
231.06494	4.0
231.09947	2.6
231.13686	3.1
231.17387	1.9
231.21056	1.0
244.44949	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.05238	2.3
55.05504	39.2
57.03420	2.1
57.07068	5.2
61.58225	1.0
65.03920	1.1
67.05497	78.8
69.03412	1.8
69.07059	54.6
70.06567	2.0
70.82917	1.2
70.83257	2.4
71.04981	14.8
71.08614	1.7
79.05472	6.7
81.07047	97.3
83.08610	23.2
85.06542	9.4
91.05477	5.7
93.07020	6.9
95.08595	100.0
97.09583	1.6
97.10156	26.3
97.10684	1.1
105.07021	7.7
107.04923	1.2
107.08568	4.0
109.10144	58.3
110.10477	1.4
111.11709	11.1
115.05374	1.5
117.06995	2.7
119.08556	5.2
121.10114	1.2
123.11691	20.8
125.13205	1.2
128.06197	3.5
129.06998	5.8
131.08546	6.2
133.10074	2.2
135.11623	1.2
137.09526	1.2
137.13220	6.8
141.06955	5.0
142.07779	2.3
143.08542	9.5
145.06395	1.6
145.10062	2.9
147.68237	1.0
151.14914	1.8
152.06317	1.3
153.06953	3.5
155.08530	7.3
157.06461	1.2
157.10086	6.3
159.08020	2.6
159.11658	4.1
168.09344	8.6
169.10120	1.5
171.11702	1.6
172.08765	1.5
173.05940	3.1
173.09563	2.9
173.11835	1.8
173.13264	3.6
183.08022	2.4
183.11653	17.9
183.13123	1.7
185.09528	1.2
185.13106	1.8
186.41367	1.1
187.07573	2.1
187.11104	4.3
187.14777	1.5
193.19530	2.6
201.09126	1.3
201.12720	3.8
211.07591	1.2
211.11182	3.0
211.14735	1.8
211.20576	3.0
229.04938	2.4
229.08662	6.5
229.12268	12.5
229.16057	6.2
229.19485	3.0
229.21571	2.2
247.13219	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94233	1.2
55.05503	6.3
57.03427	2.1
57.07066	98.7
58.07409	1.4
59.04980	1.2
67.05496	25.9
69.07050	2.2
69.63029	5.2
69.63453	3.2
70.20079	1.0
71.04990	1.2
71.08621	100.0
79.05483	3.9
80.75877	1.1
81.07043	46.0
83.08604	3.0
85.06545	1.2
90.70633	1.1
91.05457	2.1
93.07057	1.6
95.08617	5.7
97.10189	1.3
99.08134	1.3
105.07032	2.6
109.10131	6.8
115.05437	1.5
119.08601	1.9
123.11692	17.5
128.06203	3.3
129.06990	1.3
131.08563	2.7
133.10048	1.4
141.06941	1.6
141.12723	76.5
142.07773	2.5
143.08530	6.1
145.10086	2.3
153.06967	2.0
155.08534	3.1
157.10146	2.3
159.08102	1.2
159.11688	4.5
168.09332	5.7
171.08055	1.2
171.11568	1.1
173.11771	1.4
173.13184	1.5
183.11670	15.1
187.07466	1.4
187.11177	2.1
193.10197	1.1
201.12735	3.1
211.11150	1.5
211.20546	54.2
212.20818	1.6
229.08562	3.3
229.12289	9.3
229.15952	1.8
229.19521	2.4
230.12631	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
53.26993	0.9
55.05501	37.6
57.03416	1.7
57.07065	5.2
65.03919	1.3
67.05493	74.8
68.05814	1.2
69.07056	51.6
70.06601	0.7
70.07369	0.8
71.04979	12.9
71.08617	1.8
71.15678	2.2
73.52460	0.8
79.05482	6.2
81.07040	89.3
82.07386	1.0
83.08099	1.3
83.08602	24.3
85.06503	5.9
91.05448	2.8
93.07024	4.2
95.04958	0.9
95.08588	100.0
96.08942	1.8
97.02917	0.9
97.06506	1.0
97.10149	22.9
99.78314	0.7
105.07002	3.3
107.08537	1.9
109.10133	50.1
111.11697	11.0
119.08562	2.6
121.10142	0.9
123.11685	17.7
125.13271	1.1
128.06181	1.3
129.07014	1.6
131.08537	2.2
137.13239	6.3
141.06961	2.0
143.08519	3.3
145.10086	2.2
151.14801	2.0
153.06967	1.7
155.08533	3.4
156.09277	1.0
157.10094	1.9
159.08012	1.0
159.11726	2.8
168.09273	3.9
169.10155	1.4
171.08066	1.1
173.06010	1.0
173.11678	1.2
183.07954	1.7
183.11655	8.8
187.11131	1.6
193.19524	1.8
201.09070	0.9
201.12724	2.6
211.07648	1.1
211.11209	1.7
211.14653	1.1
211.20514	3.1
229.08565	2.8
229.12140	5.9
229.15947	2.0
229.19521	1.4
229.21643	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24265	1.7
53.03943	2.6
55.05507	41.1
57.03417	4.7
57.07048	4.7
63.05481	2.0
67.05144	4.4
67.05496	89.0
69.07061	58.1
70.06583	2.9
70.86122	6.3
70.86465	1.9
71.04987	13.5
71.08607	2.8
76.88806	2.0
79.05492	9.4
81.07044	97.8
83.08620	25.0
85.06519	8.7
87.54121	1.7
91.05482	4.9
93.07040	10.0
95.08592	100.0
97.10155	26.6
99.08056	1.9
105.07005	6.9
107.08558	4.5
109.10141	61.1
111.11702	14.0
112.80238	1.8
115.05432	3.0
117.06973	3.3
119.08557	5.6
123.11678	27.0
128.06203	5.9
129.06973	6.6
131.08540	7.0
137.05949	3.4
137.13188	8.3
141.06984	3.8
142.07683	2.9
143.08549	14.3
145.06458	3.8
145.10127	3.7
151.14754	2.1
153.06955	2.4
154.07686	3.9
154.52379	2.2
155.08521	11.2
157.10094	5.3
159.08003	7.1
159.11681	4.6
168.09215	9.7
169.10085	3.1
173.06001	4.3
173.11749	4.5
173.13216	2.9
183.07898	2.8
183.11658	29.5
187.07549	2.9
187.11099	4.8
189.31894	1.9
193.19356	2.1
201.12729	7.4
211.07472	4.9
211.11116	4.1
211.14690	2.4
229.05016	2.3
229.08546	8.2
229.12218	22.4
229.14168	3.8
229.15984	3.8
229.19531	2.6
233.57040	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	229.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.05501	29.9
57.03443	11.5
57.07069	5.0
58.06592	2.5
59.04981	2.7
60.08149	7.3
61.08494	2.3
66.58115	1.9
67.05499	77.7
69.03384	2.2
69.07055	28.7
71.04988	11.4
71.08630	2.0
71.71067	3.1
72.08136	2.3
79.05488	22.5
81.07047	91.4
83.04972	6.3
83.08610	20.4
85.06537	22.0
91.05470	25.6
93.07030	22.0
95.04951	3.8
95.08595	100.0
96.08922	2.0
97.06517	26.5
97.10163	6.1
99.00793	2.0
99.08077	11.9
105.07016	35.0
107.08570	14.5
109.06495	5.6
109.10150	43.2
111.08066	5.7
113.09631	4.5
115.05446	5.7
117.07012	10.7
119.08561	43.0
121.06483	2.1
121.10125	8.0
123.08092	4.4
123.44463	1.8
128.06194	15.4
129.06963	11.1
131.08559	22.3
133.10120	26.1
134.10483	2.1
135.08051	2.1
135.11696	16.6
137.09613	5.0
137.13214	11.7
141.06969	8.8
142.07733	6.7
143.08537	26.1
144.09282	3.8
145.06471	7.6
145.10147	11.4
147.11731	2.2
149.05870	2.1
153.07004	12.2
154.07704	2.4
155.08507	20.5
157.10120	14.5
159.08034	9.1
159.11685	16.1
161.13246	78.6
167.08566	3.7
168.09335	27.6
169.10051	6.6
171.08073	4.0
171.11681	3.9
172.12489	2.7
173.05983	4.7
173.09659	6.4
173.11703	10.3
173.13263	10.7
179.14301	38.3
179.15868	1.8
181.10225	2.3
183.08067	3.6
183.11697	60.0
184.12068	2.1
185.13176	4.6
186.10397	3.0
187.07431	5.0
187.11150	10.6
187.14738	3.0
193.10062	2.4
197.15257	10.5
201.12767	12.9
201.16293	11.6
211.11171	7.5
211.14769	4.4
229.05070	3.4
229.08755	10.4
229.12291	33.2
229.14264	10.3
229.16295	13.4
229.19621	10.2
229.23596	3.8
229.27165	41.3
230.24831	3.3
247.13284	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	229.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.2
55.01839	3.2
55.05501	13.9
56.84620	1.3
56.96531	1.2
57.03401	3.8
57.07042	3.1
59.04971	2.9
65.03921	2.4
67.05143	1.3
67.05493	23.5
69.03399	4.9
69.07052	12.8
70.06219	1.2
70.06575	13.8
71.01336	1.4
71.04983	13.9
71.31120	2.5
71.31471	1.5
72.08146	1.2
73.02876	1.4
74.37269	1.3
79.05479	8.6
81.03375	4.0
81.07034	15.7
82.07433	1.3
83.04988	6.0
83.08584	10.4
84.08110	1.6
85.02869	3.3
85.06540	6.2
86.06033	2.2
86.09660	3.1
90.12516	1.1
91.05458	14.5
93.07027	19.3
95.04955	20.0
95.08015	1.7
95.08588	33.1
97.02840	3.4
97.06507	5.8
99.04446	13.1
99.08073	100.0
101.05984	1.7
103.05442	3.3
105.07012	18.0
107.04887	2.8
107.08578	11.5
108.79533	1.1
109.06491	6.4
109.10137	50.1
110.42297	1.1
111.04398	1.4
111.08099	6.4
113.05975	3.0
113.09602	2.6
115.05418	5.1
116.07047	1.3
117.06989	6.4
117.09047	3.4
117.20326	1.2
119.04926	1.3
119.08554	13.0
121.02807	1.1
121.06443	3.4
121.10094	4.8
123.04414	5.9
123.08004	3.2
123.11639	2.8
125.09621	2.4
127.07541	1.3
127.11176	2.0
128.06201	11.9
129.07002	9.1
131.04884	2.8
131.08553	13.0
133.06453	1.7
133.10074	7.6
135.04390	3.3
135.08073	1.2
135.10742	1.4
135.11670	12.4
137.05902	2.5
137.09587	25.0
140.04662	11.0
141.06956	12.1
142.07751	12.1
142.08716	2.1
143.08539	26.7
144.09209	1.3
145.06444	8.8
145.10063	5.0
147.07985	1.5
147.11598	3.6
149.05916	1.8
149.13258	1.6
151.03830	1.3
151.11125	2.9
151.14784	1.3
153.06958	11.0
154.07697	3.3
155.07008	5.8
155.08502	17.8
155.10614	25.6
156.09256	1.3
157.06461	2.9
157.10086	11.5
159.04349	1.5
159.08014	9.1
159.11687	9.2
161.05992	2.2
165.12796	1.5
167.06970	6.3
167.08511	3.3
168.09315	26.6
169.06329	2.6
169.07637	1.7
169.10028	4.2
171.08020	4.0
172.08798	1.8
173.05960	5.4
173.09569	5.7
173.13199	3.6
175.11168	3.5
175.14781	5.3
182.08340	1.9
183.08046	3.2
183.11656	58.4
184.07597	2.1
185.06033	1.4
185.09573	1.2
185.13200	2.8
186.10326	1.5
187.07532	7.2
187.11134	12.4
193.10066	3.2
193.12126	2.3
193.15836	10.4
193.49551	1.3
196.08826	1.3
197.05847	1.6
201.09045	4.7
201.12683	17.2
211.07452	2.4
211.11121	12.0
211.13231	2.9
211.16893	17.4
229.04865	3.1
229.08554	14.8
229.12158	40.3
229.15680	5.2
229.17847	2.7
230.08243	1.3
247.13222	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	229.1795
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
55.05503	9.6
57.07079	1.3
59.04968	2.7
60.34465	1.3
67.05492	13.6
68.05850	1.0
69.03419	1.9
69.07072	5.4
70.06582	2.7
70.70252	2.0
70.70664	1.9
71.04990	8.4
79.05467	4.9
81.07044	9.7
83.04954	2.6
83.08601	8.1
85.06538	2.5
85.94019	1.1
91.05454	5.5
93.07037	12.7
95.04948	13.6
95.08592	29.7
97.06500	2.0
98.20807	1.5
99.04435	11.2
99.08080	100.0
105.07031	6.4
107.08589	12.8
109.06522	2.3
109.10139	51.1
111.08080	3.4
113.05964	2.8
113.09614	3.4
117.07015	1.6
117.09129	1.8
119.08564	11.3
121.10147	3.1
123.08028	1.8
123.11676	2.1
125.09599	2.2
127.11165	2.5
128.06203	3.0
129.07004	2.3
131.08549	2.7
133.10097	4.9
135.10751	1.6
135.11693	16.7
137.09601	16.3
141.06989	2.0
142.07748	2.5
143.08546	4.1
145.06448	1.3
145.10083	1.3
151.11116	2.2
151.14748	1.5
153.12706	7.0
155.08636	2.8
155.10657	21.8
157.10110	2.5
159.08046	1.7
168.09325	3.1
169.06345	1.3
171.13808	1.9
173.06041	1.7
175.14793	7.7
183.11649	10.9
187.11180	2.2
193.15924	9.2
201.12587	2.5
201.46243	1.3
211.11185	2.3
211.16882	18.2
229.08549	3.2
229.12141	5.9
229.15828	1.4
229.17906	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	229.1544
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01854	0.6
56.96547	1.8
57.03425	2.3
58.06316	0.6
58.06588	7.2
58.76184	0.4
58.99851	1.8
59.07365	1.8
60.08151	8.1
61.02914	4.3
66.74740	0.3
68.05019	1.2
68.09857	0.4
69.03407	0.6
70.06579	39.8
70.98104	0.6
70.99841	1.4
71.68607	0.7
72.08153	0.7
73.02895	1.6
74.96659	0.3
75.63076	0.3
77.00874	2.1
82.99839	1.1
83.01460	0.4
84.96066	0.4
85.02880	1.8
86.99377	0.4
89.00869	0.9
91.02431	0.4
95.01957	0.5
95.06017	0.4
96.08107	1.8
97.02878	0.7
98.06037	0.7
98.97551	2.1
100.02473	0.8
101.00864	25.3
101.02566	1.6
102.00972	1.0
102.02220	0.7
103.02436	0.9
107.24303	0.4
110.01282	0.6
110.97509	0.4
111.05544	0.6
113.00845	0.6
114.05515	4.5
114.09134	2.0
115.02420	1.4
116.07057	1.2
116.98600	1.4
117.01904	0.4
118.03509	0.7
119.01897	100.0
120.01976	5.7
120.03250	0.6
121.01612	0.7
121.02382	0.6
121.03391	0.7
122.73768	0.3
124.02538	0.4
124.07552	2.7
126.00701	0.3
126.09145	0.7
126.98734	1.8
128.02287	0.5
128.06161	0.4
128.98567	0.4
131.01871	3.5
131.08531	0.6
133.03436	8.1
134.03619	0.6
134.99620	0.6
135.03059	2.9
135.53181	0.5
137.02934	23.3
138.03024	1.6
142.03479	3.8
142.08617	37.4
143.01855	1.7
143.08614	1.3
144.03583	0.8
144.99794	10.4
145.03459	0.6
145.99878	1.9
146.99548	1.8
147.01355	0.9
147.03127	0.4
147.05006	0.5
149.02893	1.5
151.04494	2.3
153.06818	0.4
155.08501	0.7
157.03409	1.1
157.10056	0.5
158.99622	0.6
159.01303	0.5
159.11630	0.6
160.04590	0.6
161.01283	0.5
161.01482	0.6
161.02925	3.9
163.00848	1.2
165.00787	0.4
168.01486	0.6
168.09309	1.0
168.99814	10.3
169.01321	0.8
170.00002	0.5
170.08092	1.5
172.99347	2.4
173.02858	0.8
173.99452	1.7
174.99107	1.0
175.00720	0.5
175.04489	0.7
177.02361	1.8
178.02658	0.5
183.07701	0.5
183.11638	3.5
183.14920	1.1
187.00859	20.7
187.11134	0.8
188.01102	1.9
189.00743	0.6
190.54086	0.5
191.00331	2.1
191.03961	1.5
192.00447	0.9
193.00165	0.5
196.00883	0.8
196.99283	2.3
197.01053	3.8
198.00708	1.1
201.12636	0.7
205.00177	0.7
205.01886	4.1
207.01883	0.4
210.02423	0.9
211.10880	0.8
215.00331	18.3
215.02168	2.2
216.00420	0.9
219.01698	0.9
223.02948	0.5
229.03481	1.1
229.15431	99.9
230.15790	1.8
233.01289	1.0
238.01999	0.9
247.02910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1544
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01879	0.7
55.05490	0.3
56.96548	0.9
57.03432	0.5
58.06318	0.4
58.06594	6.2
59.07368	1.2
60.08155	8.7
61.02913	0.5
68.05010	0.9
69.03408	0.6
70.06580	39.9
71.06906	0.3
71.68996	0.6
72.08151	1.2
73.02896	0.5
79.96786	0.3
81.04541	0.8
84.04481	0.6
85.02882	0.7
95.06100	1.5
96.08096	1.6
97.02888	0.5
98.06032	0.8
98.97571	0.9
100.07594	0.3
101.00855	3.0
102.00910	0.3
112.99126	0.3
113.71314	0.3
114.05513	4.7
114.09146	2.1
115.40054	0.3
116.07092	1.1
116.98609	0.5
119.01898	8.2
124.07572	3.3
126.09128	0.8
127.04975	0.4
131.01872	0.5
133.03456	1.1
137.02919	1.5
142.08615	31.9
144.99753	0.7
146.99564	0.5
148.03853	0.9
157.04500	0.3
161.02896	0.4
168.99794	0.8
170.08113	1.2
173.02847	0.3
177.00584	0.3
178.02893	0.3
183.11273	1.1
187.00920	2.2
205.01802	0.5
215.00287	1.4
229.15437	100.0
230.15782	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	9.3
57.03428	20.0
59.04988	4.4
65.03925	1.6
67.05495	100.0
69.07053	1.7
71.04978	3.7
71.72278	1.3
78.12699	0.7
79.05482	2.8
81.07044	16.0
83.08611	6.5
85.06528	2.9
91.05466	9.0
93.07037	3.5
95.04974	1.4
95.08584	5.8
97.46778	0.7
99.08109	1.1
105.07027	3.2
107.08598	2.9
109.10139	87.2
110.10513	1.1
111.08067	3.3
117.06998	1.7
119.08582	7.3
121.06543	0.8
128.06262	3.9
129.07007	3.3
131.08548	3.8
137.09595	3.8
141.06992	2.0
142.07764	2.3
143.08542	6.3
145.06491	1.6
145.10107	2.1
150.75931	0.9
153.06979	2.3
155.08501	4.7
155.10611	4.3
157.10115	2.6
159.08057	1.2
159.11717	2.2
168.09323	6.4
169.10132	1.4
173.05975	1.2
173.11719	23.7
173.13112	1.2
182.38910	0.8
183.11674	15.7
187.07542	1.4
187.11208	2.4
201.12788	3.3
208.78677	0.8
211.11185	1.9
229.08553	1.7
229.12201	8.3
229.14371	20.3
229.19389	2.1
247.13234	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.0
55.05484	0.5
56.96553	2.7
57.03415	1.4
57.03916	0.3
58.06319	0.4
58.06593	6.7
58.99829	0.4
59.07365	1.2
60.08154	7.0
61.02921	2.4
64.72800	0.3
67.05483	0.4
68.05013	0.9
69.03407	1.1
69.07043	0.3
70.06581	36.1
70.74914	1.2
72.08140	1.0
72.78843	0.3
73.02906	1.6
79.05466	0.6
81.03386	0.5
81.04511	0.8
83.06055	0.4
84.04485	0.8
84.96036	0.3
85.02898	2.1
86.09686	1.4
91.05460	0.3
95.04932	0.3
95.06059	1.2
96.08096	1.7
97.02869	1.8
98.06037	0.9
98.97578	1.8
100.07604	0.5
101.00871	4.3
102.00976	0.3
103.02392	0.6
105.07001	0.6
109.02886	0.3
109.06518	0.4
110.97517	0.5
113.02409	0.3
114.05512	4.5
114.09166	1.9
115.02382	0.3
116.07082	2.4
116.98583	1.3
118.00989	0.6
119.01898	21.1
119.08589	0.4
120.01987	1.6
124.07584	3.3
126.09116	0.8
126.98735	0.4
127.03932	0.7
127.04969	0.7
128.02257	0.9
128.06216	0.8
128.98517	0.7
129.06967	0.7
131.01892	1.1
131.08549	0.4
133.03435	2.5
134.99579	0.4
135.03070	0.9
137.02927	4.8
139.03220	0.4
139.04196	0.5
141.07068	0.3
142.03482	0.9
142.08617	30.7
143.01859	0.6
143.08502	1.7
144.99805	1.5
145.06438	0.3
146.99574	0.7
148.03784	1.7
149.04642	0.3
151.04453	0.9
153.07021	0.6
155.08473	1.2
157.03384	0.7
157.04459	0.4
157.10095	0.5
158.99565	0.6
161.02896	1.3
162.01740	0.4
165.06580	0.4
168.09332	1.9
168.99797	2.2
169.02539	0.5
169.10004	0.3
169.99886	0.3
170.08096	1.9
172.99361	0.4
173.02899	0.4
174.99168	0.4
175.02661	0.4
175.04538	0.4
177.00711	0.4
183.07654	1.5
183.11577	2.8
183.14909	1.3
185.02885	0.3
187.00885	5.1
187.02567	0.7
187.04486	0.7
187.11205	0.8
189.00734	0.4
191.00299	0.5
191.03941	0.3
196.99281	0.8
197.00998	0.5
200.67938	0.3
201.12651	0.6
203.04053	0.3
205.01834	0.5
210.02492	0.3
211.10959	0.6
215.00327	4.5
215.02161	0.6
219.01659	0.4
221.05099	0.3
225.48532	0.3
229.08307	1.3
229.12233	3.1
229.15437	100.0
230.15799	1.9
237.02768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1431
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03941	4.5
55.01865	13.9
55.05505	86.4
57.03431	6.6
57.07061	1.4
65.03918	1.2
67.05496	33.5
69.03413	7.4
69.07060	32.0
70.06585	7.3
71.04987	13.4
71.45223	1.7
72.08137	1.9
75.38090	1.0
76.14879	0.8
76.85993	0.7
79.05478	18.0
81.03408	21.1
81.07046	24.3
83.04956	7.4
83.08608	100.0
84.08921	1.2
85.02901	6.0
85.06527	7.2
86.09696	2.9
87.04459	2.6
87.08089	3.2
91.05467	44.3
93.07030	45.4
95.04963	11.9
95.08593	6.7
97.02865	1.4
97.06512	5.5
99.04452	8.1
99.08098	1.7
105.07017	25.4
105.32621	0.7
107.04945	2.1
107.08575	12.8
109.02894	1.4
109.06507	8.9
109.10153	7.7
111.04440	5.2
111.08069	24.5
113.05981	1.3
115.03912	1.1
115.05465	2.0
116.98579	0.9
117.07008	3.1
119.04905	1.9
119.08569	15.8
121.06495	2.3
121.10132	3.6
123.04427	2.1
123.08046	2.0
123.11718	3.1
125.05949	2.3
125.09601	2.1
127.03891	2.6
128.06192	6.1
129.05496	4.7
129.07002	8.0
129.09116	5.4
131.04947	1.3
131.08557	9.5
133.06485	2.3
133.10107	33.7
134.10515	0.9
135.08026	1.0
137.05981	5.1
137.09579	2.2
141.06938	4.1
142.07671	4.2
143.08534	10.7
144.09283	1.0
145.06467	4.0
145.10109	3.8
147.08078	0.9
147.11667	19.9
149.06001	0.9
149.09579	1.4
151.07567	1.3
151.11163	26.8
153.06996	5.0
155.07030	27.6
155.08517	9.7
155.10670	3.0
157.10101	6.8
159.08031	4.0
159.11670	2.4
165.07004	1.3
165.12730	5.1
167.08539	1.4
168.09320	10.5
169.06525	1.0
169.08649	1.7
169.10046	2.4
169.12218	37.2
170.12509	1.9
171.08012	1.8
171.11694	1.4
173.06041	2.3
173.09599	3.2
173.13263	1.4
175.11148	8.1
183.07957	2.1
183.11667	26.0
184.07573	0.9
185.13199	1.4
187.07600	2.7
187.11113	4.3
193.10464	1.5
193.12263	5.7
196.08887	0.9
201.09105	1.7
201.12685	5.6
211.07562	2.7
211.11183	4.3
211.13283	15.5
229.08507	6.9
229.12196	16.4
229.14349	17.8
247.13277	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96748	0.5
55.05502	9.7
57.03425	18.6
57.07064	1.5
59.04991	4.8
65.03926	1.8
67.05492	100.0
68.05819	1.2
69.03406	0.6
69.07056	2.2
69.68715	4.8
71.04980	3.3
79.05485	1.4
81.07040	14.9
83.08594	6.0
85.06519	2.6
89.92911	0.5
91.05463	6.3
93.07012	3.7
95.04995	0.7
95.08586	5.4
98.21429	1.0
105.07012	2.1
107.08576	2.4
109.10136	80.4
111.08071	3.1
117.06989	1.0
119.08566	6.2
128.06177	1.3
129.06987	1.2
131.08519	1.8
133.10130	0.6
137.09590	3.1
141.06949	1.3
142.07718	1.1
143.08562	4.3
145.06444	1.0
145.10107	0.9
153.06955	1.6
155.08484	2.3
155.10576	2.7
157.10062	1.2
159.11679	1.0
168.09294	4.3
169.10016	0.6
173.05910	0.9
173.11711	22.4
183.11696	6.7
187.11172	1.1
197.24104	0.5
201.12650	1.6
229.05034	0.7
229.08438	1.8
229.12128	3.7
229.14258	20.3
229.19334	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.122
Annotation	CHEBI:66778
Peak:m/z	Relative Intensity
55.01865	1.0
55.05505	3.3
57.03410	0.8
59.74534	0.7
65.03901	0.6
67.05499	5.1
69.03419	2.0
69.07061	2.0
69.74802	4.1
70.06584	7.2
71.04975	2.7
72.08128	0.9
79.05473	2.6
81.03420	0.9
81.07053	3.3
83.04974	0.9
83.08596	2.3
85.02888	0.8
85.06530	1.9
86.09702	0.9
91.05473	5.9
93.07034	2.8
95.04951	2.0
95.08595	1.5
97.02903	1.0
97.06489	2.1
101.31446	0.6
103.05473	1.0
105.07019	5.5
107.04933	1.0
107.08573	2.7
109.06493	3.5
109.10156	2.9
113.05953	0.5
115.05451	2.1
117.06985	2.1
119.04913	0.6
119.08529	1.5
121.06495	1.1
121.10066	0.6
123.04485	0.8
128.06207	9.1
129.06992	20.8
131.04936	1.0
131.08556	5.9
133.06451	0.7
133.10104	2.5
137.05960	2.0
139.07510	0.9
141.06961	9.7
142.07747	4.8
143.08528	10.6
144.05711	0.9
144.09370	1.1
145.06462	3.1
145.10081	2.8
147.11639	1.1
149.05937	0.8
153.06982	4.4
154.07761	1.2
155.04916	0.6
155.07051	2.3
155.08534	10.1
157.06471	100.0
157.10002	4.0
158.06894	1.9
159.04367	0.7
159.08076	2.9
159.11636	2.8
165.06989	1.3
167.08551	1.9
168.09315	9.5
169.06468	6.0
169.08553	2.8
169.10107	2.0
171.08038	2.5
173.05977	3.2
173.09561	1.7
173.11830	0.6
173.13240	1.8
175.11160	1.5
178.07741	6.6
181.06435	1.7
181.10123	2.2
182.07243	0.7
183.08078	2.2
183.11674	26.3
184.07478	1.1
184.12030	1.1
185.09628	0.9
185.13326	1.1
187.07616	1.4
187.11153	4.3
193.10104	12.2
196.08829	2.1
201.08986	1.4
201.12721	5.6
211.07730	1.1
211.11160	18.5
212.66325	0.7
214.06177	0.8
229.05016	1.4
229.08762	5.2
229.12204	22.8
229.15790	2.9
230.15451	0.8
247.13249	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.2002
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
53.03934	1.6
53.98727	0.7
55.01866	5.8
55.05506	19.3
57.03424	3.4
57.07058	2.8
65.03907	0.7
67.05498	15.8
69.03415	1.6
69.07060	100.0
69.59653	7.1
70.07409	0.9
71.04987	5.4
71.91588	0.8
73.06547	6.5
79.05483	17.1
81.03400	0.9
81.07050	22.3
83.04947	3.8
83.08609	3.6
85.02879	1.0
85.06542	5.0
91.05466	3.7
93.07030	20.2
95.04954	2.4
95.08592	19.7
97.06516	12.9
97.10152	5.4
98.75066	1.0
99.04417	1.3
99.08099	3.9
100.11243	3.3
105.07034	1.8
107.08568	7.0
109.10143	9.1
111.04413	1.2
111.08073	1.5
111.11693	3.2
112.64884	0.8
115.07563	2.3
119.08537	1.4
121.06486	1.5
121.10133	14.1
123.11681	3.1
125.09619	13.0
128.06165	1.1
129.06990	1.6
131.08508	1.7
133.10075	0.8
135.11696	6.9
137.13188	1.3
139.11195	5.0
141.06966	1.2
142.07762	1.8
143.08525	3.5
145.06479	1.1
145.10118	1.2
149.05965	1.0
149.13263	2.7
150.63795	0.7
152.06139	0.9
153.07005	1.3
154.07529	0.8
155.08575	1.2
156.09351	1.8
157.10144	3.7
166.07816	1.6
167.05888	2.0
167.07028	6.3
167.08539	3.1
167.14261	1.1
169.06441	1.5
169.10091	0.9
171.08066	1.6
171.11678	2.1
177.05467	2.1
181.04936	0.9
181.10078	1.1
183.07993	0.9
183.11464	0.8
184.05113	1.1
184.08788	1.2
185.07072	12.2
185.13249	2.9
189.11224	1.2
191.17908	2.1
195.08047	1.6
199.07552	2.0
199.11136	1.7
209.13315	1.4
209.18980	9.4
212.08342	1.0
213.06548	3.8
227.06917	2.9
227.08372	1.7
227.10593	9.0
227.12698	3.6
227.14348	3.2
227.17870	6.2
227.20047	8.6
228.10109	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	227.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
53.98727	0.7
55.01866	5.8
55.05506	19.3
57.03424	3.4
57.07058	2.8
65.03907	0.7
67.05498	15.8
69.03415	1.6
69.07060	100.0
69.59653	7.1
70.07409	0.9
71.04987	5.4
71.91588	0.8
73.06547	6.5
79.05483	17.1
81.03400	0.9
81.07050	22.3
83.04947	3.8
83.08609	3.6
85.02879	1.0
85.06542	5.0
91.05466	3.7
93.07030	20.2
95.04954	2.4
95.08592	19.7
97.06516	12.9
97.10152	5.4
98.75066	1.0
99.04417	1.3
99.08099	3.9
100.11243	3.3
105.07034	1.8
107.08568	7.0
109.10143	9.1
111.04413	1.2
111.08073	1.5
111.11693	3.2
112.64884	0.8
115.07563	2.3
119.08537	1.4
121.06486	1.5
121.10133	14.1
123.11681	3.1
125.09619	13.0
128.06165	1.1
129.06990	1.6
131.08508	1.7
133.10075	0.8
135.11696	6.9
137.13188	1.3
139.11195	5.0
141.06966	1.2
142.07762	1.8
143.08525	3.5
145.06479	1.1
145.10118	1.2
149.05965	1.0
149.13263	2.7
150.63795	0.7
152.06139	0.9
153.07005	1.3
154.07529	0.8
155.08575	1.2
156.09351	1.8
157.10144	3.7
166.07816	1.6
167.05888	2.0
167.07028	6.3
167.08539	3.1
167.14261	1.1
169.06441	1.5
169.10091	0.9
171.08066	1.6
171.11678	2.1
177.05467	2.1
181.04936	0.9
181.10078	1.1
183.07993	0.9
183.11464	0.8
184.05113	1.1
184.08788	1.2
185.07072	12.2
185.13249	2.9
189.11224	1.2
191.17908	2.1
195.08047	1.6
199.07552	2.0
199.11136	1.7
209.13315	1.4
209.18980	9.4
212.08342	1.0
213.06548	3.8
227.06917	2.9
227.08372	1.7
227.10593	9.0
227.12698	3.6
227.14348	3.2
227.17870	6.2
227.20047	8.6
228.10109	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	227.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31778	0.4
51.27826	0.5
53.03950	1.0
55.01870	3.9
55.05505	18.7
57.03429	2.4
57.07067	2.1
59.04992	1.1
59.44009	0.5
64.04086	0.5
65.03915	0.5
65.55596	0.5
67.05496	12.1
67.06219	0.5
69.03423	1.4
69.07061	100.0
69.55698	4.8
71.04988	3.0
73.06545	2.8
79.05486	13.3
79.05930	0.8
81.07047	17.3
83.04977	5.2
83.08615	4.0
85.06550	1.4
91.05466	2.2
93.07035	22.2
95.04967	1.0
95.08599	15.6
95.43008	0.5
97.06522	11.9
97.10164	8.5
97.79530	0.5
99.08086	1.4
100.11283	0.9
105.07005	1.1
106.61268	0.5
107.08594	4.1
109.10136	4.8
110.79002	0.5
111.08089	1.0
111.11715	3.7
114.45769	0.6
119.08555	0.7
121.10136	16.6
123.04359	0.7
123.11733	1.5
125.09629	4.1
125.67362	0.5
131.04948	0.7
133.10004	0.5
135.11678	3.6
137.13255	0.6
139.11172	7.5
143.08516	0.8
149.13248	1.8
157.10150	1.1
163.13286	0.5
167.07007	2.7
167.14294	1.3
171.11679	1.1
177.05554	0.8
191.17946	1.7
209.18997	2.2
227.07048	0.8
227.14413	1.2
227.18015	1.2
227.20020	20.9
227.22279	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.2002
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
53.03942	1.1
55.01868	5.4
55.05502	16.6
56.15255	0.5
57.03421	2.4
57.07068	2.4
57.25557	0.4
59.04992	0.7
67.05495	15.2
69.03424	0.8
69.07058	100.0
69.40154	5.1
69.51348	0.5
70.07384	0.9
71.04982	8.7
71.08621	0.5
73.06547	4.8
77.03898	0.6
79.05482	15.5
81.07043	23.1
82.93745	0.4
83.04969	5.2
83.08599	4.2
85.06529	3.8
91.05476	2.4
93.07030	21.1
95.04977	1.9
95.08588	17.8
95.09195	0.8
97.05920	0.4
97.06515	12.2
97.10152	7.3
98.21485	1.0
99.04471	0.6
99.08041	2.7
100.11243	1.0
101.06024	0.6
104.44412	0.5
104.79450	0.6
105.07048	1.5
107.04986	0.7
107.08572	5.3
109.06491	1.1
109.10135	7.5
111.08086	1.3
111.11698	3.3
113.09628	0.5
115.07564	1.3
119.08569	1.1
121.06538	1.0
121.10117	14.0
123.11700	2.6
125.09610	7.2
128.06210	0.6
129.06963	1.0
131.04912	0.6
131.08597	0.5
135.11671	6.6
137.13286	1.1
137.47462	0.6
139.11151	5.3
140.04778	0.6
141.05420	0.5
141.06995	0.6
142.07750	1.3
143.08560	1.4
145.10168	0.6
149.05960	1.2
149.13229	2.3
155.07054	0.5
155.08539	0.6
156.09375	0.7
157.10138	3.0
167.07047	7.5
167.08487	0.6
167.14342	1.3
171.08058	0.8
171.11734	2.0
177.05533	2.0
185.09654	0.8
185.13290	1.3
191.17943	2.9
199.07530	0.7
199.11313	0.7
209.19014	5.1
227.07057	2.2
227.10773	2.2
227.14412	1.6
227.17932	4.2
227.20123	12.6
228.10251	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.2
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
52.93896	0.4
53.03931	0.9
53.51051	0.3
55.01859	4.7
55.05502	20.7
57.03427	2.0
57.07067	1.9
59.04979	0.9
67.05495	11.0
69.03419	0.7
69.07055	100.0
69.37365	3.6
70.07378	0.4
71.04984	3.5
71.08618	0.4
73.06541	1.6
73.19552	0.4
79.05476	12.5
81.07042	19.9
83.04962	5.4
83.08609	3.3
85.06530	1.3
86.09696	0.7
91.05459	2.0
93.07027	22.9
95.04956	0.9
95.08588	16.1
97.06510	12.1
97.10148	9.5
97.10725	0.8
99.08091	1.2
100.11241	0.8
101.05997	0.7
105.07001	0.9
107.08574	3.9
109.10123	3.4
111.08046	0.5
111.11691	4.5
115.07510	0.4
121.10124	16.0
123.11668	1.9
125.09614	4.2
135.11662	3.6
137.13177	0.5
139.11154	7.7
149.13232	1.8
167.07025	0.8
167.14261	1.1
167.57509	0.5
191.17941	1.6
209.18947	3.2
227.07104	0.6
227.14432	0.5
227.20012	20.2
228.20447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01859	5.8
55.05503	18.3
57.03432	2.5
57.07061	2.2
59.04984	0.7
65.66114	0.5
66.76062	0.4
67.05491	11.9
69.03427	0.8
69.07056	100.0
71.04979	5.2
71.29261	1.1
73.06546	4.0
73.83992	0.6
79.05480	16.5
81.07042	21.7
83.04974	5.3
83.08596	3.4
85.06528	3.7
86.09692	0.8
91.05463	3.3
93.07027	22.1
95.04962	1.7
95.08588	16.8
97.06516	12.6
97.10149	6.5
99.08072	2.6
100.11230	0.8
103.05484	0.6
105.07028	1.2
107.04957	0.7
107.08580	6.0
109.10130	6.4
111.04385	0.5
111.08092	0.8
111.11682	4.1
115.07555	1.2
119.08594	1.1
121.06464	2.5
121.10129	14.2
123.04404	1.5
123.11707	2.9
125.09603	9.4
128.06229	0.8
129.06985	0.8
131.04922	0.8
131.08551	0.7
135.11671	5.2
137.05992	2.0
139.11133	6.7
140.04671	1.0
142.07808	0.7
143.08571	1.2
145.10104	0.5
148.05093	0.5
149.05925	2.7
149.13223	3.1
152.04636	0.9
153.05371	0.6
156.09264	0.9
157.10178	1.9
167.07005	14.0
167.08313	0.9
167.14345	0.9
171.08070	0.8
171.11649	1.7
177.05446	4.3
191.17940	2.1
191.42439	0.5
209.08015	1.1
209.15347	0.4
209.18987	7.1
227.10713	0.8
227.14339	1.5
227.17912	4.1
227.20085	11.4
227.22217	0.6
228.10287	1.0
242.71886	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01863	7.0
55.05233	0.9
55.05500	17.7
57.03429	2.2
57.07063	2.3
58.50056	0.6
60.24253	0.6
62.23430	0.6
64.44044	0.6
67.05490	14.8
69.03421	1.8
69.07056	100.0
70.07399	0.9
71.04982	8.6
71.70242	0.9
73.06541	7.2
79.05479	16.1
79.05927	1.1
81.07045	25.0
83.04971	5.3
83.08601	4.5
85.06538	6.3
86.09682	1.2
87.20523	0.6
91.05465	3.6
93.07031	19.9
95.04956	5.8
95.08589	20.3
97.06516	14.6
97.10142	3.5
98.97579	1.5
99.04438	8.2
99.08083	3.7
100.11250	3.3
105.07040	2.3
107.04980	0.7
107.08573	9.1
109.06515	1.4
109.10134	9.7
111.08088	2.1
111.11691	3.3
113.09665	0.9
115.07582	2.6
119.08579	1.3
121.10117	15.1
123.08108	1.5
123.11697	4.5
125.09599	13.7
131.08598	0.9
133.10156	3.2
135.11668	7.8
137.09583	1.2
137.13264	0.7
139.11160	7.3
142.03268	1.3
143.08577	1.1
147.11630	0.9
149.13226	5.6
151.11217	2.7
153.09053	1.6
155.07104	0.7
156.09351	0.9
157.10103	1.1
161.92807	0.6
163.14871	1.2
167.07083	1.8
167.14299	1.6
169.12404	0.6
170.02754	0.8
171.11737	1.7
173.13277	1.9
177.05522	0.9
183.13945	1.2
191.14255	1.7
191.17906	4.1
194.37610	0.7
199.10951	1.0
209.15285	1.3
209.18953	7.8
227.07132	1.6
227.10716	1.1
227.14464	1.5
227.18037	1.0
227.20003	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	227.1638
Annotation	Annuionone E
Peak:m/z	Relative Intensity
53.03932	2.4
54.69123	0.6
55.01863	1.8
55.05505	12.2
56.02630	1.0
57.07054	0.8
59.04988	0.7
65.03928	1.3
67.05494	27.3
68.06597	0.6
69.03433	0.7
69.07053	7.7
69.74157	0.6
71.04983	100.0
71.70966	0.9
72.05310	0.9
79.05479	13.4
79.05927	0.9
81.07044	34.8
83.04972	2.4
83.08601	5.4
85.06539	2.6
91.05473	7.9
93.07029	15.4
93.07578	1.0
95.04981	2.5
95.08596	18.3
97.06513	4.4
97.10148	5.9
99.08105	1.3
100.11256	2.5
100.80961	0.7
105.07037	2.5
107.08575	8.1
109.06529	2.1
109.10131	4.9
111.08083	2.9
117.07000	4.0
119.08582	2.9
120.83378	0.7
121.06509	1.7
121.10133	3.2
123.08119	1.0
125.09624	5.6
127.07533	0.9
128.06247	1.2
129.07018	1.3
130.00015	0.6
131.08557	4.9
133.10110	5.7
135.08063	2.3
135.11667	9.7
137.09543	0.8
142.07796	0.7
143.08571	2.1
145.10129	0.7
149.13251	5.9
153.09178	1.2
157.10080	3.1
159.11682	7.1
167.07085	1.1
169.10138	0.7
171.08072	0.7
171.11703	2.0
174.95390	0.6
175.14810	0.9
177.12772	2.7
181.10130	0.6
185.13287	1.8
189.11272	2.9
193.15793	0.9
195.08148	0.6
195.13878	1.0
199.11145	0.7
209.15387	1.0
227.07068	3.0
227.10579	2.9
227.12480	7.4
227.14743	1.1
227.18022	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	227.1637
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.55508	1.1
55.01871	9.4
55.05510	9.7
57.03426	2.9
57.07058	3.8
57.31097	1.1
59.05005	5.6
63.05584	1.2
65.03922	1.2
67.05506	11.1
67.15807	1.1
69.03407	5.0
69.07057	14.8
71.04984	19.3
71.34557	2.5
73.06532	1.2
79.05472	7.9
81.07046	19.3
83.04990	6.0
83.08595	5.1
85.06538	10.8
86.09695	4.4
88.07485	1.2
91.05482	7.8
93.07032	31.6
95.04953	100.0
95.08585	20.8
97.06525	17.8
97.10149	4.1
99.04443	14.9
99.08087	12.6
105.07003	10.3
107.04928	1.3
107.08581	31.4
109.06502	16.1
109.10144	12.5
111.08072	7.7
113.05970	2.8
113.09612	1.2
115.07521	7.0
119.08566	6.3
121.06494	2.4
121.10137	18.8
123.08054	7.4
123.11701	6.9
125.09608	7.7
127.07532	6.7
128.06232	1.2
131.08528	5.5
133.10114	30.5
135.08055	6.1
135.11665	7.2
137.09572	1.4
139.11139	9.8
142.03171	2.3
143.08546	2.2
145.10097	3.9
147.11659	5.8
149.09645	2.9
149.13225	11.1
151.07530	3.0
151.11148	7.1
153.09090	24.6
153.12679	2.0
155.08530	1.5
163.11200	6.4
163.14792	4.9
165.12752	1.4
167.07053	3.2
167.10686	2.5
169.08580	24.9
171.10146	12.7
171.11571	1.8
173.13232	12.3
181.12144	2.0
191.10580	2.1
191.14301	12.6
191.40108	1.0
192.69287	1.1
193.32930	1.0
196.51064	1.1
199.14771	1.8
201.85556	1.1
209.09880	1.3
209.11705	1.9
209.15323	18.4
227.06967	2.4
227.10709	2.9
227.12686	1.6
227.14407	2.4
227.16319	36.7
227.18314	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1637
Annotation	MKN-003C
Peak:m/z	Relative Intensity
51.92038	1.5
55.01842	1.9
55.05500	12.2
57.03434	8.5
57.03663	2.1
57.07048	6.1
59.04974	5.7
67.05499	9.7
69.03394	6.0
69.07059	15.2
70.55659	4.6
71.04983	29.8
73.06549	3.1
75.04461	1.7
79.05487	9.7
81.07043	20.1
83.04974	7.4
83.08618	8.0
85.06538	11.1
87.56422	1.8
89.42423	1.5
91.05454	9.0
93.06146	1.6
93.07032	23.1
95.04956	100.0
95.08589	19.9
96.05267	1.8
97.06515	19.9
97.10156	7.2
99.04442	14.6
99.08086	37.8
100.11222	4.3
105.07008	10.8
107.08578	22.4
109.06506	17.8
109.10126	11.6
111.08047	8.9
113.05976	2.9
113.09644	3.3
115.07564	7.5
119.08580	10.3
121.06466	1.7
121.09368	2.2
121.10137	25.7
123.08038	4.5
123.11668	7.7
125.09600	13.4
127.07545	16.2
131.08517	6.4
133.09174	2.5
133.10117	36.6
133.11124	2.2
135.08020	6.2
135.10768	1.5
135.11639	10.3
137.09587	4.7
139.11165	16.5
143.08504	2.1
143.10648	13.3
145.10065	2.6
146.81012	1.5
147.11714	8.0
149.13258	9.5
151.11125	5.9
153.09091	27.6
154.88962	1.4
158.10933	2.7
163.14767	5.3
165.12576	2.8
167.06969	5.5
167.14256	2.1
171.10153	23.9
171.11586	2.9
173.13245	16.8
191.14259	11.8
197.06026	1.7
199.11194	1.7
209.15363	15.9
209.18835	1.5
227.10583	2.5
227.14592	2.2
227.16365	50.4
228.16699	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1638
Annotation	MKN-003C
Peak:m/z	Relative Intensity
50.81131	1.0
53.03938	2.1
55.01860	2.9
55.05502	22.0
57.03424	8.5
57.07058	7.3
59.04988	7.2
64.67912	1.1
65.03908	1.5
67.05495	57.8
69.03415	6.6
69.07056	30.6
71.04981	84.3
71.36679	2.5
73.06529	4.0
75.04413	1.5
79.05485	29.1
81.03387	1.2
81.07047	58.3
83.04965	7.3
83.08602	17.3
85.06532	28.2
85.10176	0.9
85.55237	0.9
86.26429	1.0
91.05454	9.1
93.06434	1.6
93.07031	50.9
95.04955	100.0
95.08593	55.4
95.09109	1.0
96.05277	1.1
97.06515	25.1
97.10145	9.8
99.04440	15.8
99.07428	2.3
99.08078	41.7
100.11275	2.6
101.05992	1.5
105.07027	9.8
107.08578	42.1
109.06499	19.2
109.09402	2.3
109.10144	46.5
111.08045	10.2
111.11703	2.1
113.05970	2.9
113.09621	2.4
115.07551	9.0
117.06991	1.2
119.08562	8.4
121.10127	57.8
123.08025	4.0
123.10851	1.7
123.11681	15.5
125.09610	17.8
127.07533	21.7
131.08551	6.3
133.10112	35.3
134.10399	1.6
135.08009	4.8
135.10625	1.4
135.11674	29.3
136.11925	1.3
137.09578	6.5
139.11157	13.7
143.08621	1.7
143.10681	13.6
145.10133	2.7
147.11665	6.6
149.09572	2.8
149.13237	18.3
151.11154	7.4
153.09077	25.9
158.10860	1.3
163.14795	6.7
165.12746	5.8
167.07036	1.6
167.14378	1.5
171.10144	22.5
173.13249	16.6
183.13808	5.5
191.14291	11.8
191.17914	4.7
209.11635	1.8
209.15311	17.4
209.18987	1.9
212.89709	1.0
227.16393	70.3
227.19904	26.3
228.16769	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1638
Annotation	Blumenol B
Peak:m/z	Relative Intensity
55.01855	5.5
55.05499	25.5
57.03415	6.2
57.07042	4.7
59.04993	11.1
63.57180	2.0
65.43482	2.0
67.05500	18.8
69.03422	37.6
69.07062	22.8
71.04987	19.7
71.14455	6.0
74.29807	2.2
79.05487	11.0
80.05000	2.4
81.03421	2.7
81.07052	24.1
82.06569	2.3
83.04973	33.6
83.08601	10.6
85.02899	7.1
85.06525	13.6
86.09670	8.2
87.04438	2.5
91.05458	32.0
93.07030	28.9
95.04961	39.0
95.08575	20.7
97.06524	8.9
97.10167	11.3
98.97539	2.8
99.04440	7.4
99.08077	24.7
100.11236	20.5
101.06005	2.9
105.07011	9.1
107.04986	2.9
107.08591	26.3
107.09259	3.9
108.56194	2.0
109.06510	14.8
109.10130	19.1
111.04431	3.9
111.08080	10.5
113.05974	5.5
115.07568	3.4
116.98632	2.7
119.08588	6.1
121.06491	4.9
121.10116	28.8
123.04429	2.4
123.08041	6.6
123.11677	5.3
125.09608	100.0
127.07529	6.0
127.11171	3.6
131.08560	6.0
133.10104	18.5
135.08038	7.3
135.11676	6.0
137.09616	5.9
139.07550	3.3
139.11179	10.4
140.04672	4.2
147.11642	3.5
149.05974	3.7
149.09598	18.9
149.13235	9.0
151.11153	9.6
151.23987	2.3
153.09091	33.1
155.07011	3.8
156.99879	2.4
163.14784	10.1
165.00615	2.1
167.07039	10.2
167.10703	4.4
171.10168	7.0
173.13240	9.5
181.04938	6.4
184.05173	2.5
185.05956	3.2
185.09776	2.6
190.09872	2.4
191.14281	11.7
195.06564	2.7
203.02251	3.3
209.15309	56.0
213.75639	2.0
227.07060	7.7
227.10608	7.1
227.14221	4.9
227.16264	36.3
243.99599	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1274
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
50.75402	3.9
53.03931	5.2
54.66435	4.2
55.01862	16.2
55.05506	36.8
56.20777	4.1
57.03420	6.5
67.05485	38.1
69.03423	7.0
69.07054	33.6
69.96690	27.3
71.04977	10.1
73.02918	5.9
77.95332	3.4
79.05483	54.4
80.22121	4.7
81.07037	38.7
83.04974	11.6
83.08611	28.1
85.06505	9.9
91.05470	20.6
93.07021	63.0
95.04945	18.1
95.08591	66.3
97.02895	8.5
97.06504	11.5
97.10152	16.3
99.04462	9.8
100.11248	18.3
101.73535	4.0
103.05445	6.6
105.07007	15.1
107.04919	24.1
107.08568	43.0
109.06505	5.5
109.10120	11.0
111.08055	4.1
115.05524	4.6
117.06950	21.4
119.08569	17.4
121.06481	16.8
121.10154	28.0
123.04499	5.4
123.08064	5.0
125.05965	5.5
125.09618	14.8
128.06200	7.7
129.06947	6.4
130.07800	4.8
131.08499	7.5
133.10097	10.6
135.07988	5.3
135.11655	64.3
137.05931	8.1
141.06935	6.1
142.07745	5.5
143.08511	13.5
143.92685	4.7
145.06281	4.7
145.10094	39.1
149.05898	9.1
153.09079	5.7
156.09358	6.4
157.10080	23.8
163.11159	100.0
166.07729	5.5
167.07016	57.3
167.08507	14.5
169.10150	6.8
171.08005	10.6
171.11658	13.3
177.05482	12.2
179.08546	6.2
181.06451	4.3
181.10023	5.5
181.12190	26.7
183.11784	5.4
185.09573	4.5
185.13338	9.8
195.08028	5.0
199.07594	6.7
199.11182	9.0
199.14867	8.0
209.11565	5.4
212.08199	10.3
227.07225	21.2
227.10571	39.6
227.12521	99.4
227.17903	33.6
228.10223	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	227.091
Annotation	Ficusol
Peak:m/z	Relative Intensity
51.15401	0.7
52.92179	0.7
53.03923	2.1
55.01857	6.9
55.05502	7.6
57.03406	1.0
57.07047	1.1
58.62216	0.7
65.03927	8.0
67.05507	6.3
69.03418	3.9
69.07056	5.1
69.59517	0.8
70.06587	0.6
70.21064	1.7
70.21456	1.7
71.04978	4.0
73.02903	34.2
79.05475	5.1
81.03381	1.8
81.07054	6.9
82.04164	2.3
82.06563	0.9
83.04955	2.3
83.08605	4.4
85.02887	5.2
85.06516	2.0
86.09690	1.7
91.05453	5.8
93.03379	3.5
93.06585	0.7
93.07038	7.4
95.04956	13.9
95.08576	2.6
97.02868	1.1
97.06509	5.5
97.10136	1.3
99.04421	1.9
99.06725	0.9
99.08078	4.4
100.11240	16.8
103.05437	2.4
105.07019	2.8
107.04921	2.9
107.08553	5.3
108.02062	1.4
109.02828	0.9
109.06482	2.5
109.10120	2.5
110.03632	4.3
111.04414	2.8
111.08076	1.8
115.07533	2.8
117.06973	0.9
119.04919	1.0
119.08528	1.8
120.05583	1.3
121.06506	4.8
121.10110	5.1
123.04413	9.6
123.08037	1.5
123.11723	1.5
125.02325	2.9
125.05946	3.6
125.09581	4.0
127.07491	1.7
128.06190	1.5
129.07002	1.3
131.04887	1.2
131.08510	2.0
133.10114	5.0
135.07999	1.7
135.11650	1.4
137.05952	1.4
138.03094	2.2
139.03838	0.9
139.07446	1.2
139.11156	1.7
140.04657	49.1
141.05058	0.8
142.02594	2.2
143.08501	1.2
145.10118	1.8
149.05934	4.0
149.09595	2.8
149.13254	1.0
151.11166	2.2
153.05463	2.2
153.06946	0.8
153.09070	3.6
155.07001	52.0
157.06448	1.7
163.11092	1.3
167.07031	11.5
167.10690	1.7
171.06500	7.1
171.07968	1.5
171.10107	0.9
173.08052	4.9
173.13235	2.2
177.05435	3.2
179.06970	2.3
179.08546	1.0
181.04926	100.0
182.05246	1.9
185.05919	1.6
191.10594	1.1
191.14336	1.9
194.05727	0.8
199.11134	1.3
209.08028	19.8
209.09796	1.5
209.11475	1.4
209.15091	1.4
209.16562	2.4
227.07019	1.9
227.08983	13.0
227.14281	1.5
227.17421	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	227.091
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03924	1.6
55.01860	1.8
55.05505	4.9
56.05025	1.3
56.96560	7.0
57.03413	1.6
57.07058	1.7
59.19236	0.8
61.02905	1.1
65.29603	0.7
65.91772	0.9
67.05479	3.6
69.03422	1.7
69.07069	7.5
70.06584	13.1
71.01315	0.7
71.04965	1.7
71.70084	1.4
73.02888	2.2
75.02757	0.7
76.38461	0.9
78.04682	3.0
79.05489	5.7
81.03392	2.1
81.07018	2.8
82.06525	0.9
83.04955	1.6
83.08594	3.2
84.04010	0.9
84.04497	15.3
84.08125	2.5
85.02872	2.6
85.06564	0.9
86.06049	0.8
91.05472	9.5
93.07038	5.0
95.04964	6.4
95.08565	1.0
97.02885	3.0
97.06504	1.3
97.10159	2.0
98.97541	5.2
99.04440	1.3
100.11237	1.6
103.04939	0.8
103.05467	7.9
105.03365	1.1
105.04491	0.9
106.04157	2.7
107.04933	6.5
107.08553	1.7
109.06502	1.9
111.04417	1.3
111.11623	0.9
116.07076	17.3
116.98621	4.9
117.03342	1.0
119.01844	1.3
119.04902	2.3
121.06499	12.0
121.10152	1.7
122.03676	0.8
123.04420	9.4
124.05208	1.9
125.05975	1.3
127.03896	1.2
128.78999	0.8
128.98570	1.5
130.63503	0.8
131.00151	1.0
131.04895	6.1
133.02817	1.1
134.03607	1.9
134.99696	1.8
135.04385	2.7
137.05959	9.5
140.04651	2.7
143.00169	1.2
144.98242	1.0
146.99594	1.6
147.04390	1.6
148.05145	1.7
149.05963	15.6
151.03885	1.5
152.04659	1.9
155.04625	2.2
155.06998	2.2
158.99611	1.1
159.04404	3.3
161.04701	1.0
162.05482	1.6
163.03940	1.4
163.07516	1.1
165.05424	2.3
167.07022	100.0
168.07523	2.5
174.04370	2.6
176.04692	1.0
177.00682	3.1
177.05463	23.3
178.05853	1.3
181.09883	1.3
186.04343	1.5
189.00562	0.9
191.07072	1.4
199.07521	0.9
199.11151	1.6
204.05449	2.2
209.08043	6.2
209.09761	1.1
227.06979	2.5
227.10551	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	226.107
Annotation	3-hydroxy-O,5-dimethyl-L-tyrosine
Peak:m/z	Relative Intensity
50.76807	1.5
51.96075	1.6
53.03938	5.5
55.01865	4.0
55.05490	3.9
56.05028	13.1
57.03430	2.6
58.06574	5.1
65.03941	4.5
67.05493	8.0
68.05022	3.7
69.03418	8.4
69.07080	2.3
70.06580	3.4
70.94118	4.8
71.04987	2.0
71.62943	1.7
72.04494	3.4
79.05485	29.3
79.81195	1.7
80.05006	6.0
81.03412	4.3
81.07040	25.7
82.06580	8.6
83.04980	5.5
84.04509	12.5
86.06057	2.0
91.05470	26.4
93.05760	2.7
93.07029	25.2
94.06548	18.4
95.04958	23.0
95.08612	2.8
96.08125	13.2
97.02883	5.5
97.06530	8.0
99.04477	2.2
103.05484	5.1
105.03367	2.2
105.07019	7.3
106.06557	9.5
107.04935	18.1
107.07337	6.0
107.08568	13.4
108.04492	2.9
108.05776	2.3
108.08109	14.6
109.05342	2.6
109.06506	62.0
110.06035	6.7
110.09674	6.3
111.04442	3.1
115.05425	4.1
117.07013	13.7
118.06524	4.5
119.04945	8.4
119.07293	6.2
119.08596	2.6
120.05576	10.1
120.08085	21.0
121.06499	20.3
122.06013	21.5
123.04405	13.8
123.06799	2.9
123.08011	2.4
124.07584	32.4
124.08426	3.6
124.11229	4.5
125.05974	5.6
132.08058	3.3
133.05283	2.5
134.05995	8.0
134.09636	54.3
135.04414	4.2
135.07036	1.7
135.08026	10.0
136.07544	21.3
137.05956	100.0
137.08299	4.4
138.05458	3.0
138.09137	24.3
138.47836	1.7
144.08057	12.1
145.06471	5.7
146.06029	5.8
147.04399	5.2
147.06763	16.4
148.07539	13.1
149.05965	15.1
150.05486	3.8
150.09105	3.8
151.07520	3.2
152.07008	9.3
152.10712	12.4
153.07851	3.7
156.89046	1.8
161.08305	2.1
162.09126	62.6
163.03896	3.9
163.07545	8.7
164.07065	4.8
165.05472	19.8
165.07875	2.8
166.08646	14.3
167.07060	4.1
173.06017	2.9
178.08713	1.7
179.09438	4.3
180.06546	2.1
180.10167	44.7
180.14894	1.9
182.08054	2.0
183.06665	4.4
190.08606	30.7
191.06992	15.5
198.11290	5.0
201.31508	1.9
208.06514	2.4
208.09676	40.4
226.10614	39.1
226.14418	2.6
227.10710	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	226.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01860	6.5
55.05508	14.4
56.05035	3.9
56.96555	100.0
57.03426	13.8
57.07064	28.4
58.06570	2.0
61.02900	8.1
61.16220	1.9
65.03904	6.8
67.05494	40.2
68.05013	3.5
69.03416	26.9
69.07063	4.4
69.76824	1.8
70.06580	10.1
70.48817	1.8
70.98110	6.0
71.01322	3.2
71.04971	6.9
71.09383	2.0
71.11823	4.4
72.04501	2.4
72.08125	5.5
73.02896	18.4
73.06544	9.7
74.06057	2.3
74.97592	4.5
79.05481	15.9
81.03405	13.4
81.07044	6.1
82.06613	2.1
83.00771	2.1
83.04964	4.3
83.06067	2.0
84.04507	4.1
84.08123	4.3
84.96021	8.3
85.02892	29.3
85.06528	13.7
86.06057	4.4
87.04441	5.5
88.99149	3.1
90.01547	2.5
91.03996	2.0
91.05460	10.1
92.01278	2.6
93.07041	3.6
94.06577	5.2
95.04939	9.2
96.04446	2.7
96.08118	9.5
97.02879	30.3
97.99147	2.2
98.03223	2.1
98.06013	2.5
98.97567	69.3
99.04440	7.2
100.99107	4.5
102.96955	2.2
103.03888	2.3
105.00320	2.3
106.06534	3.2
107.01784	2.4
107.04946	13.0
107.08609	3.8
108.08087	7.4
109.02867	6.3
109.06500	8.2
110.01275	7.8
110.06023	6.7
110.97585	11.0
111.09201	3.0
112.00988	4.9
112.07572	3.6
114.09138	2.6
115.02329	2.2
116.98601	59.5
117.02029	2.0
118.14876	1.9
119.00162	6.6
119.01820	18.1
119.04935	3.1
120.05551	12.8
120.08158	2.2
121.01517	5.9
121.06481	5.7
122.06003	3.6
123.04395	5.8
124.07566	13.2
125.02415	2.7
125.03535	3.3
125.07103	1.8
127.01551	3.8
127.03885	9.2
128.02293	15.5
128.98569	17.7
129.02179	1.8
131.00174	3.7
131.01848	3.8
133.01567	9.3
134.06039	2.5
134.09601	3.1
134.99635	26.4
136.06166	3.6
136.07561	6.2
137.02869	6.4
137.05957	10.1
138.09126	3.4
139.01472	8.4
139.53084	2.3
140.02277	2.2
140.07019	17.5
141.02179	2.8
143.00166	5.8
143.01874	2.9
144.98064	20.2
145.01549	9.8
145.03435	3.9
145.04976	3.3
146.02249	3.5
146.04089	4.2
146.99612	21.3
147.03212	8.2
147.05830	2.8
148.02007	2.9
149.05930	3.1
152.02330	2.0
152.04094	17.8
152.07045	6.4
153.00697	2.3
154.02002	15.4
154.03879	3.1
154.08589	3.6
155.04622	51.0
157.03465	3.0
158.01221	2.3
158.99626	26.2
159.03259	11.6
161.01212	10.9
161.03029	5.5
161.04636	84.6
161.54805	11.4
162.03566	2.0
162.05318	2.5
162.09120	3.1
162.99129	28.6
163.02699	9.0
163.04256	3.0
163.54926	2.8
164.05165	18.9
164.07068	3.3
165.01039	2.8
165.04276	6.4
165.05495	3.0
165.52870	2.4
166.08611	2.4
166.55444	7.4
167.06978	16.9
168.06482	5.2
168.07750	2.6
170.05133	15.1
170.08157	3.6
172.55463	14.8
172.95221	1.9
173.02956	3.9
175.02574	12.5
175.04337	1.8
175.55907	2.3
177.00696	37.1
177.04277	6.0
177.05672	3.5
180.06535	5.4
180.10144	6.7
181.00182	12.2
181.56023	2.2
182.03284	2.9
184.03027	8.9
186.99097	4.1
189.00745	5.0
190.08548	3.0
191.03883	4.4
195.01787	2.5
195.53935	2.4
196.04797	3.9
198.07526	3.1
201.00690	3.6
201.04317	4.0
203.02203	3.2
205.00169	32.1
208.09656	6.2
209.12808	6.3
217.05443	4.8
219.01715	8.5
221.04985	9.4
222.99036	4.1
223.01213	72.0
223.03317	4.0
224.01593	2.9
226.07034	6.3
226.09831	16.4
226.15677	2.3
227.06848	4.8
237.02737	11.2
241.02245	10.7
244.93625	2.1
246.02846	4.0
247.01155	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01862	5.5
55.05500	13.5
56.05030	2.4
56.96554	100.0
57.03426	12.2
57.07065	25.8
58.06599	3.3
61.02903	8.8
63.01630	1.7
65.03920	7.5
67.05492	39.0
68.05016	4.6
68.05833	2.1
69.03419	28.1
69.07049	4.5
70.06580	9.6
70.98122	6.4
71.04979	7.5
71.69104	2.2
71.69483	2.5
71.95255	4.1
72.08137	5.8
73.02905	16.4
73.06552	9.2
74.06055	3.0
74.97599	6.1
79.05480	16.2
80.05025	2.5
81.03397	14.5
81.07052	8.6
82.06564	4.4
83.04968	8.3
84.04492	5.0
84.08126	8.3
84.96021	9.8
85.02898	29.4
85.06503	12.0
86.03665	2.4
86.06070	4.6
87.04444	6.0
88.99162	3.1
91.00514	2.5
91.03922	3.4
91.05470	11.7
92.01263	2.1
93.07033	3.5
94.06544	5.3
95.04935	11.4
95.08591	2.5
96.01521	2.6
96.08109	10.3
97.02888	27.9
97.06524	3.4
97.96883	1.8
98.06049	2.1
98.97565	63.7
99.04445	8.4
100.02528	1.9
100.04008	3.1
100.99132	5.9
102.92585	3.8
102.97000	2.0
103.02401	2.3
105.06985	2.2
106.06519	2.6
107.04950	14.7
108.08087	5.5
109.02864	5.3
109.06516	7.0
110.01268	5.4
110.03087	3.6
110.06000	4.8
110.97555	9.3
111.02017	3.3
111.04425	5.3
112.07582	3.8
114.09145	1.9
115.02312	2.5
116.98600	50.2
118.01012	5.5
118.06513	2.8
119.00163	9.3
119.01806	15.0
119.03608	2.2
119.04930	5.5
120.05579	14.0
120.08098	5.1
121.01523	7.5
121.06497	5.8
122.06003	4.0
123.04380	8.2
124.01017	3.3
124.07558	12.3
125.05942	3.0
125.07051	3.6
127.03915	6.8
128.02327	12.7
128.98601	14.6
129.02118	3.3
131.00166	3.0
131.01894	5.9
131.03600	2.0
133.01598	8.1
133.03456	2.3
134.05974	4.4
134.99643	28.1
135.04323	3.3
136.06175	15.1
136.07539	7.8
137.02873	5.0
137.05965	8.3
138.05405	3.4
138.09122	2.6
139.01526	4.5
140.00264	2.8
140.02243	1.9
140.07048	15.5
140.10658	2.4
141.02200	2.6
143.00140	4.8
143.01866	3.8
144.98065	14.7
145.01553	9.0
145.03407	5.3
146.02325	2.6
146.99608	17.9
147.03215	6.3
147.05763	4.7
148.02017	2.9
148.07558	3.7
149.01175	2.0
149.05966	2.7
150.05447	2.6
152.02315	3.4
152.04083	16.2
152.07022	5.3
153.00737	2.9
153.05394	2.5
154.02002	13.0
154.03857	3.1
154.08580	3.5
155.04623	39.0
157.03528	3.7
158.99629	24.0
159.03253	14.0
161.01210	9.0
161.02968	6.7
161.04628	70.4
161.54803	9.2
162.09077	4.9
162.99150	22.4
163.02654	8.6
163.04305	3.3
164.05159	15.7
165.00743	2.8
165.04317	3.4
165.05536	3.8
166.08589	4.0
166.55476	7.2
167.07037	15.3
168.06552	2.8
170.05194	10.6
170.08087	2.8
170.99637	4.5
172.55412	13.7
173.01334	2.2
173.02946	5.5
175.02638	9.5
175.55956	3.2
177.00693	35.2
177.04221	3.4
177.05580	3.5
179.02414	2.8
180.06552	4.7
180.10051	10.0
181.00227	9.1
182.03337	3.6
183.06635	3.4
184.03021	8.0
185.01216	2.5
186.99098	4.1
187.04335	3.6
187.16229	2.1
189.00711	4.6
189.04419	2.3
190.08670	3.1
191.02219	3.7
191.03795	3.2
195.01656	2.6
198.07574	3.2
198.11255	3.3
201.00665	3.0
201.04271	5.1
203.02206	4.1
205.00168	28.5
208.06053	2.7
208.09703	9.2
209.12854	7.3
211.02684	2.0
211.52283	8.3
217.05399	5.9
217.55505	2.1
219.01762	7.1
219.05388	2.1
220.52802	2.2
221.03099	2.6
221.05045	6.6
223.01236	59.6
224.01666	2.4
226.05727	3.0
226.10612	18.7
226.15643	2.4
227.06767	5.4
228.01984	3.2
237.02782	10.0
241.02277	8.3
247.01207	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	225.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.01862	21.9
55.05502	13.9
57.03415	3.9
57.07059	2.9
59.04979	1.7
61.02913	4.6
65.03919	1.6
67.05494	68.5
69.03417	10.5
69.07056	52.3
69.07367	0.7
69.72314	6.3
71.04981	100.0
71.08636	0.9
73.06521	2.3
79.05010	1.8
79.05479	25.3
81.03389	2.8
81.07045	50.7
83.04971	14.9
83.08625	5.9
85.02889	2.8
85.06528	17.0
87.04446	3.7
91.05464	28.9
93.06427	1.3
93.07030	35.8
95.04948	6.9
95.08592	52.4
97.06515	49.3
97.10121	1.7
98.20537	0.8
99.04430	2.6
99.08080	12.3
105.04437	1.1
105.07013	18.7
107.08581	24.2
109.06517	10.1
109.09404	1.8
109.10141	30.0
110.10619	1.1
111.04427	2.2
111.08070	20.7
115.07545	3.4
117.06992	1.6
119.08557	19.6
121.06497	2.1
121.10126	26.5
122.07330	1.2
123.08037	7.3
123.11690	5.7
125.05996	1.3
125.09602	17.5
131.08516	1.3
133.10106	14.4
135.08031	1.9
135.11661	5.1
137.09599	12.5
137.13214	2.0
139.11160	12.7
141.09196	1.2
143.08566	1.8
145.10088	2.4
147.08015	2.0
147.11668	13.5
149.09596	9.8
151.07526	2.7
151.11168	9.0
156.09366	1.1
159.08041	1.2
159.11668	2.3
161.09584	2.4
161.13232	8.2
163.11191	2.4
163.14847	2.3
165.09097	1.0
165.12720	4.1
167.10641	1.6
169.08656	1.0
171.11707	2.0
171.91553	1.0
173.11661	1.1
173.17706	0.9
174.10396	2.6
177.12796	1.6
179.14348	1.4
183.13840	1.3
189.12729	5.3
189.16327	6.2
196.41023	1.0
197.32512	0.9
207.13809	7.4
207.17418	3.7
219.18636	0.9
225.14929	6.9
225.18430	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	225.1845
Annotation	(E,E)-12-Hydroxy-6,10-dimethyl-6,10-dodecadien-2-one
Peak:m/z	Relative Intensity
52.74672	0.6
53.03934	1.5
55.01591	1.2
55.01862	21.3
55.05500	7.2
57.03424	1.8
57.07064	2.6
59.04989	1.1
65.03926	2.0
67.05493	34.0
69.03415	4.4
69.07056	16.5
69.88748	2.4
69.89161	1.5
71.04980	100.0
77.75460	0.6
79.05483	16.5
81.03395	1.0
81.07041	35.3
83.04967	10.7
83.08622	2.8
85.02866	0.7
85.06527	17.4
85.07042	1.2
87.04431	1.4
91.05465	11.8
93.07030	16.6
95.04961	4.0
95.08588	22.2
97.06516	48.3
97.10144	0.9
99.04422	1.8
99.08087	9.4
105.07016	9.0
105.61259	0.5
107.04946	0.8
107.08577	20.1
109.06506	7.1
109.10132	14.3
111.04407	2.5
111.08061	25.5
117.07060	0.8
119.08566	10.1
121.06477	1.5
121.10126	19.0
122.07276	1.0
123.08055	9.7
123.11684	4.4
125.05986	1.0
125.09609	16.9
127.07502	1.1
131.08568	0.8
133.10107	7.0
135.08037	1.6
135.11673	4.0
137.09595	6.5
137.13228	0.8
139.11133	2.5
145.10081	1.0
147.11662	5.9
149.09601	4.3
149.13234	0.9
151.07562	1.4
151.11176	6.0
153.12650	0.9
161.13226	4.4
163.09962	0.6
163.11147	3.5
163.14780	1.1
165.09125	1.1
165.12755	2.6
167.10651	1.6
171.11627	0.7
179.14294	1.2
181.12204	1.1
189.12708	2.6
189.16348	4.8
207.06409	0.7
207.13786	5.9
207.17348	2.5
225.09029	0.7
225.13004	0.7
225.14935	6.0
225.18423	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.148
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.03932	1.4
55.01865	2.7
55.05501	9.7
56.68107	1.0
57.03418	3.1
57.07054	7.0
59.04981	4.0
61.02899	1.2
65.03924	1.6
66.98057	1.0
67.05488	13.9
67.24552	1.0
69.03413	3.9
69.07051	11.9
71.01338	2.1
71.04978	40.2
71.71039	1.3
75.11282	1.0
79.05486	8.2
80.26089	1.1
81.03403	2.5
81.07044	19.2
83.04960	7.5
83.08595	9.6
83.84221	1.0
85.02890	4.4
85.06521	6.5
87.04462	1.3
91.05457	9.3
93.07014	7.3
95.04948	9.0
95.08579	20.6
97.06524	15.3
97.10143	1.5
99.04436	100.0
99.08082	2.7
101.86474	1.2
105.03365	3.2
105.07001	9.4
107.04929	2.2
107.08572	41.7
109.06499	28.9
109.10161	8.9
111.04430	4.7
111.08066	3.7
111.11703	3.5
113.06029	1.6
113.09636	5.1
119.04924	4.4
119.08582	8.4
121.06471	3.4
121.10117	19.2
123.04433	1.9
123.08039	24.3
123.11686	17.8
125.06011	1.9
125.09606	9.2
127.07530	2.7
131.08566	3.4
133.10127	3.1
135.04425	1.8
135.11647	1.7
137.05972	3.8
137.09613	4.5
137.13237	5.0
139.07510	1.8
139.11168	6.7
141.07016	1.6
141.09088	2.5
145.10059	2.0
147.04387	3.7
147.07979	1.5
147.11673	7.6
149.02342	1.2
149.09592	11.6
151.07523	4.8
151.11115	1.8
153.05452	1.1
153.06995	1.8
153.12640	1.1
155.08604	2.0
155.10632	1.5
161.13240	4.5
161.25471	1.1
163.03915	2.8
163.11186	2.7
165.07127	1.2
165.09090	1.9
165.12720	17.1
167.07001	2.2
167.10634	27.6
167.12012	1.5
169.08763	1.2
169.10101	3.3
171.11728	1.7
175.03905	4.6
179.08525	1.5
179.14301	2.6
180.04166	2.3
181.06450	2.6
183.06538	1.1
183.11906	1.9
183.13774	43.9
189.12764	6.1
189.16331	1.3
193.04970	1.4
197.05957	2.2
197.13147	1.6
207.06439	7.5
207.13741	13.0
225.07248	1.4
225.09132	4.2
225.12793	2.9
225.14671	19.0
225.16701	2.4
225.18495	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	225.1481
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03946	3.7
55.01868	4.2
55.05501	45.8
57.03424	5.1
57.07076	4.4
58.50191	1.9
59.04982	3.3
67.05501	19.1
67.54926	2.2
69.03424	12.9
69.07058	26.2
69.96494	13.2
71.04979	13.1
74.97221	1.9
79.05473	15.8
81.07041	48.4
83.01332	2.3
83.04969	58.5
83.08615	4.8
85.02895	100.0
85.06507	3.1
89.06380	2.0
91.05450	16.2
93.07034	24.4
95.04964	17.2
95.08588	39.1
97.06505	12.6
98.32171	3.1
99.04430	26.5
99.08079	3.9
105.07028	21.0
107.04960	5.0
107.08588	26.4
109.06516	14.6
109.10143	24.5
111.08084	7.5
117.07014	3.7
119.04929	9.7
119.08563	30.9
121.06502	4.5
121.10125	37.8
123.08055	22.5
123.11683	58.2
125.05961	11.4
125.09621	7.5
131.08536	5.1
133.10107	9.1
135.07991	4.5
135.11682	8.4
137.05977	5.2
137.09590	42.4
137.13145	3.0
139.11183	4.4
141.09065	4.8
143.08481	3.1
145.10106	9.3
147.04420	5.9
147.08023	4.5
147.11661	23.3
149.09601	26.6
151.03972	2.7
151.07529	10.0
151.11127	3.8
153.12723	38.6
159.11632	3.2
161.13243	29.9
163.11162	15.6
164.08342	2.2
165.09099	4.0
165.12727	12.2
167.10703	6.0
171.11722	2.9
175.03915	7.6
177.12759	2.9
179.14281	19.1
181.12230	3.7
189.12691	25.3
192.04126	2.7
195.13771	23.6
207.06520	8.5
207.13786	41.2
225.14816	28.2
247.73337	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1482
Annotation	MKN-003A
Peak:m/z	Relative Intensity
53.03928	5.0
55.01868	24.5
55.05500	26.6
55.33809	1.8
57.03432	9.6
57.07049	5.6
59.04980	5.9
61.02916	11.1
65.03928	4.1
67.05139	4.3
67.05493	77.4
68.73139	2.3
69.03421	15.3
69.07055	50.2
69.87444	3.8
69.87860	10.1
70.40942	1.9
71.04607	3.4
71.04982	51.6
79.05479	28.4
81.03400	6.9
81.07043	72.8
83.04967	100.0
83.08623	9.0
85.02871	5.1
85.06533	26.8
87.04459	6.2
91.05472	25.3
93.07028	40.2
95.04961	15.1
95.08591	63.9
97.06512	28.0
97.10122	3.1
99.04432	5.9
99.08077	27.1
105.03383	3.4
105.07014	39.4
107.04939	4.7
107.08581	38.9
109.06506	64.3
109.10145	43.5
110.53218	2.0
111.04433	23.8
111.08056	36.3
113.09602	2.4
115.07548	8.9
117.07006	2.4
119.04905	4.3
119.08562	39.2
121.06483	7.8
121.10123	42.9
122.07243	1.9
123.04433	2.2
123.08044	49.6
123.11700	7.4
123.92567	2.0
125.06007	3.4
125.09618	41.0
128.06219	2.0
131.08554	4.7
133.06419	4.6
133.10100	19.5
135.08022	8.6
135.11647	7.6
137.05988	3.7
137.09581	28.4
137.13213	3.3
139.11174	11.9
141.06915	2.7
141.09050	4.9
143.08534	4.8
145.10068	5.9
147.08054	4.9
147.11653	28.4
149.09583	43.1
151.07521	11.7
151.11180	23.2
153.09045	2.0
156.09320	5.6
159.11635	4.4
161.09619	6.6
161.13228	16.3
163.11169	9.8
165.12749	29.1
167.07094	2.5
167.10664	11.6
167.46231	2.2
169.08665	3.3
171.11655	7.3
173.11641	2.2
174.10423	10.7
175.03831	2.5
177.12704	3.5
179.14278	4.0
183.13805	2.4
189.12694	23.6
189.16335	8.1
204.59506	2.3
207.06604	4.6
207.13791	39.7
207.17345	7.7
225.12741	3.5
225.14900	33.1
225.18431	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	225.1482
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03925	7.2
55.01866	34.9
55.05501	32.3
55.11541	1.5
57.03429	9.1
57.07057	6.1
59.04977	6.3
61.02912	15.7
65.03922	3.8
67.05492	100.0
69.03415	18.1
69.07056	66.9
69.37292	14.2
69.37716	5.4
71.04978	68.6
73.06552	2.4
73.07051	1.7
77.03910	1.7
79.05479	37.2
81.03398	10.4
81.07039	87.7
83.04965	81.6
83.08613	15.1
85.02876	2.3
85.06522	31.4
87.04438	5.1
87.67789	1.5
91.05460	40.4
93.06433	1.9
93.07028	55.7
95.04943	19.9
95.08588	66.9
95.09198	4.0
96.02508	1.7
97.02878	4.0
97.06517	37.3
97.10129	4.1
99.04430	9.0
99.08077	25.1
101.02364	2.0
101.06020	3.2
103.05437	2.9
105.03375	3.5
105.07011	55.0
105.81601	1.7
107.04905	2.8
107.08578	52.6
109.06499	72.0
109.10137	53.4
111.04430	18.3
111.08057	50.1
113.05986	1.8
113.09631	3.1
115.07549	15.5
117.06978	4.5
119.04919	4.0
119.08560	50.5
121.06524	10.8
121.10124	54.9
122.07276	2.3
123.04457	2.9
123.08052	53.2
123.11674	12.4
125.05955	3.2
125.09599	47.7
127.07497	3.7
131.08559	6.1
133.06461	6.5
133.10106	25.2
135.08061	10.2
135.11670	11.5
137.05943	3.3
137.09590	38.0
137.13228	4.3
139.07506	2.9
139.11162	11.1
141.09077	7.1
143.08548	3.3
145.10043	9.3
147.04395	2.9
147.08032	7.8
147.11668	41.5
149.09584	50.2
149.13269	4.3
151.03896	2.6
151.07520	11.8
151.11145	31.6
153.09059	3.8
155.10684	2.8
156.09306	4.9
159.08015	5.3
159.11664	5.4
161.09604	8.8
161.13251	22.7
163.11163	16.7
165.09116	2.2
165.12743	27.4
167.07086	2.9
167.10712	8.0
169.08582	4.1
171.11638	7.9
173.11693	3.3
174.10352	14.3
175.03831	4.2
177.12700	4.0
179.14302	5.9
180.04095	2.2
181.12213	2.2
183.13730	3.4
189.12735	27.1
189.16351	10.5
193.05179	2.1
197.09639	2.1
207.06483	4.8
207.11852	2.0
207.13768	39.1
207.17380	5.3
225.09094	3.1
225.14824	39.4
225.18393	50.5
226.09431	2.0
226.14777	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	MKN-003A
Peak:m/z	Relative Intensity
53.03927	3.0
55.01862	8.6
55.05506	25.2
57.03432	8.0
57.07053	5.0
59.05001	6.5
65.03921	2.5
67.05498	46.6
69.03424	13.9
69.03793	1.9
69.07062	21.0
69.35760	7.1
69.36186	6.7
71.01347	1.4
71.04987	22.0
79.05482	23.8
81.03402	4.2
81.07047	76.1
83.04971	76.0
83.08616	11.5
85.02895	3.3
85.06536	22.5
87.04451	9.7
91.05463	14.7
93.07038	20.4
95.04954	14.5
95.08595	51.5
97.02883	7.7
97.06524	27.0
97.10148	6.6
99.00796	2.5
99.04448	11.2
99.07431	2.4
99.08080	39.9
101.06021	1.4
105.03380	1.3
105.07019	16.9
107.04927	3.8
107.08580	30.7
109.06507	65.0
109.10144	52.9
110.10449	1.1
111.04432	36.1
111.08056	13.2
113.05991	1.4
113.09635	4.7
115.07561	9.7
119.08569	19.2
121.06492	8.4
121.10129	29.3
122.07267	3.6
123.04420	2.1
123.08054	100.0
123.11658	10.7
124.08344	1.5
125.05960	7.3
125.09619	23.9
127.03874	2.1
127.07520	9.9
131.08527	2.3
133.10129	8.1
135.08029	3.5
135.11664	7.0
137.06000	1.4
137.09604	30.7
137.13220	3.2
139.07520	3.8
139.11171	18.2
141.05431	4.9
141.06841	1.2
141.09065	9.9
145.10115	3.0
147.04475	1.5
147.08022	3.8
147.11661	10.2
149.09613	21.9
151.07539	9.7
151.11142	11.1
153.09117	2.0
154.09904	2.2
155.10638	7.0
156.09390	1.6
161.09605	1.6
161.13225	9.1
163.11186	6.8
165.09102	5.9
165.12740	13.3
167.10669	12.2
169.08629	2.8
171.11647	2.7
173.11646	1.4
175.03905	1.7
179.14307	4.5
181.12187	8.6
183.10152	5.9
189.12706	5.4
189.16376	1.4
207.06462	2.0
207.13791	25.1
207.17310	3.1
225.09262	1.6
225.14824	47.2
225.18307	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1481
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
50.05167	4.0
53.03932	6.8
55.01857	12.4
55.05492	34.0
57.03428	9.5
57.07069	7.3
59.04976	19.4
61.02917	41.0
67.05492	57.7
69.03419	49.1
69.07056	63.2
71.04974	69.8
71.15507	6.4
71.15855	8.7
79.05490	38.9
81.03398	9.8
81.07041	74.7
83.04962	37.1
83.08596	13.3
85.02906	5.6
85.06519	20.5
87.04447	16.9
91.05463	40.7
93.07030	67.9
95.04929	23.9
95.08588	62.3
97.02820	7.2
97.06512	49.1
99.04424	13.8
99.08104	7.3
104.51892	4.1
105.07021	72.5
107.04948	10.7
107.08573	74.6
109.06507	54.6
109.10137	49.0
111.04374	6.7
111.08052	28.8
113.05973	13.7
115.07551	21.3
117.06972	5.3
119.04954	5.1
119.08556	66.1
121.06472	14.8
121.10108	63.3
122.07237	6.4
123.04409	4.6
123.08049	61.9
123.11673	18.6
125.05943	18.6
125.09602	16.1
131.08502	10.4
133.06485	8.7
133.10104	36.7
135.08031	19.6
135.11649	16.1
137.05957	7.9
137.09596	67.5
137.13222	6.6
139.11171	33.7
141.06917	7.3
141.09113	5.1
143.08574	7.2
145.10088	13.1
147.08038	16.3
147.11656	62.3
149.09589	54.0
151.07498	30.0
151.11143	55.5
153.08997	7.5
156.09271	10.5
159.07959	6.6
159.11638	11.0
161.09578	15.3
161.13206	38.1
163.11139	27.5
163.14871	4.8
165.12717	36.6
167.10661	10.6
169.08688	5.8
169.10045	5.0
171.11665	16.5
174.10384	15.4
177.12698	7.6
179.14285	10.7
181.12225	5.2
181.64845	3.9
183.10115	6.1
189.12697	54.8
193.04979	5.1
207.06490	5.5
207.13774	72.8
225.09254	7.8
225.14795	100.0
225.18396	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	225.1482
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.01853	4.3
55.05498	12.7
57.03411	5.9
57.07057	4.1
59.04986	9.8
61.02924	2.9
65.03935	2.0
67.05493	25.2
69.03424	29.6
69.07063	18.3
71.03297	3.3
71.04978	15.3
79.05486	23.6
81.07043	30.1
83.04969	29.1
83.08614	9.5
85.06523	3.5
87.04445	3.4
91.05467	22.8
93.07030	20.3
95.04962	16.3
95.08593	26.8
97.02879	3.5
97.06509	24.3
99.04433	5.0
99.08063	2.1
101.06001	9.5
105.07021	33.9
107.04944	10.8
107.08578	100.0
109.06505	22.4
109.10148	36.3
111.04448	3.7
111.08062	10.9
115.07539	1.7
117.07005	3.1
119.04926	3.6
119.08582	26.4
121.06482	15.7
121.10124	41.2
122.07275	13.2
123.04409	2.5
123.08047	34.0
123.11680	4.8
125.06007	2.5
125.09653	2.4
127.07491	4.1
128.06168	1.9
129.06909	1.8
130.07732	2.4
131.08551	3.8
133.06468	4.4
133.10118	10.2
135.08037	5.9
135.11653	15.4
137.05914	2.9
137.09598	65.2
137.13251	4.9
139.11154	5.8
141.09062	3.9
143.08569	3.0
145.10112	30.0
147.08011	3.9
147.11667	13.3
149.09622	12.2
151.07527	6.2
151.11162	67.7
156.09337	5.3
160.08836	2.8
161.09618	4.5
161.13255	16.0
163.11163	35.9
165.09158	2.9
165.12758	9.6
167.10672	2.7
170.96751	1.7
171.11679	8.6
179.14285	7.5
181.12216	10.7
189.12727	14.8
207.13777	41.3
225.14821	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1482
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.03930	0.9
55.01856	0.7
55.05503	6.2
56.62296	0.6
57.03428	2.5
57.07066	1.4
58.21853	0.6
59.04988	1.1
63.43054	0.6
65.03915	0.7
65.18557	0.5
67.05175	1.0
67.05498	8.6
69.03406	2.0
69.07070	3.5
69.77714	1.2
69.78130	3.1
71.04975	3.2
79.05479	5.5
81.03436	0.7
81.07042	10.2
83.04970	56.6
83.08604	1.1
85.02904	1.0
85.06528	4.1
86.88712	0.7
87.04433	0.7
89.72609	0.6
91.05474	4.7
93.07027	5.4
95.04953	4.4
95.08596	10.4
97.06492	2.9
99.04475	1.0
99.08080	20.2
101.05978	1.0
105.07004	6.2
107.04955	0.9
107.08584	11.6
109.06505	49.5
109.10135	4.5
110.06835	0.6
111.04430	32.0
111.08044	1.0
113.09624	1.5
119.08573	7.0
121.06490	3.6
121.10122	13.3
123.08051	100.0
123.11644	3.4
125.05981	1.9
125.09614	15.7
127.07544	6.4
131.08519	1.1
133.10100	2.1
135.08067	1.4
135.11676	1.8
137.09619	2.3
137.13463	0.6
139.11154	2.2
141.09062	3.9
143.08533	0.7
145.10115	0.9
147.11685	4.1
149.09596	10.0
151.07492	4.4
151.11188	2.7
161.09630	0.8
161.13251	1.7
163.11180	2.8
165.12730	8.2
167.10658	9.9
169.08650	1.3
171.54953	0.7
179.14316	0.7
181.12109	0.8
189.12720	2.4
207.13794	15.4
217.90683	0.7
225.14804	14.5
225.16747	1.0
225.18390	0.9
237.05518	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1481
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.27606	2.8
53.03934	5.5
55.01855	4.5
55.05504	17.2
57.03407	5.8
57.07056	8.6
59.04976	8.7
59.42453	3.0
61.02613	3.3
61.02919	58.7
61.11242	2.8
67.05499	29.5
69.03419	42.7
69.07060	27.4
69.78364	17.7
71.04976	28.6
78.51353	2.8
79.05482	33.0
81.03403	9.8
81.07050	39.9
83.04971	29.9
83.08588	9.2
85.06535	3.7
87.04453	6.0
91.05482	25.1
93.07031	30.8
95.04946	17.2
95.08600	35.0
97.02875	5.8
97.06516	29.8
98.21386	5.0
99.08047	6.2
100.09951	2.7
101.05997	8.0
102.35336	2.6
105.07017	57.6
107.04931	8.7
107.08584	87.7
107.09330	4.1
109.06499	49.9
109.10138	26.3
111.04419	6.5
111.08054	12.4
115.07533	12.6
117.06978	7.1
118.15739	2.6
119.04870	3.7
119.08564	57.6
121.06487	16.7
121.10133	58.4
122.07253	13.7
123.08059	51.2
123.11720	13.6
125.05976	5.5
125.09587	3.3
127.07571	3.8
128.06227	4.8
129.06989	3.7
130.07755	3.9
131.08560	7.0
133.06496	5.7
133.10136	17.1
135.08023	9.4
135.11726	16.5
135.12593	3.8
137.05923	3.6
137.09602	72.7
137.13217	6.0
141.06918	3.7
141.09059	6.6
143.08560	6.1
145.10107	28.2
147.08070	16.6
147.11650	46.1
149.09607	32.5
151.07553	15.2
151.11177	61.9
156.09312	10.7
159.08012	4.3
159.11670	6.6
161.09601	10.6
161.13229	24.6
163.11177	34.9
165.12720	49.7
167.10631	3.6
171.11652	9.5
173.20879	2.8
174.10394	12.1
177.12738	7.6
179.14301	6.8
181.12233	10.4
189.12703	29.7
207.13791	45.5
225.14832	100.0
241.56154	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	225.1481
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.05501	16.7
57.03414	4.2
57.07063	10.4
59.71083	3.7
65.68690	3.4
67.05490	18.7
69.03415	6.8
69.07062	12.6
70.24075	8.2
70.24458	9.9
71.04970	12.1
71.08626	3.5
74.67690	3.5
76.33602	3.5
79.05479	23.3
81.03411	10.3
81.07046	22.3
83.04996	17.5
83.08617	5.7
84.04436	4.3
85.06527	4.5
91.05479	13.4
93.07018	11.9
95.04961	19.0
95.08582	21.1
97.06534	10.9
97.10150	6.2
99.04429	13.0
99.08099	5.2
103.13427	4.2
105.03365	14.9
105.07018	15.3
106.22453	3.5
107.08561	24.6
109.06489	15.6
111.04445	6.0
119.08572	13.3
121.10131	10.6
123.08052	15.4
123.11680	4.3
125.09618	4.4
131.08578	4.2
133.10103	6.4
135.11700	5.1
137.09518	4.3
141.07027	4.7
143.08554	7.5
147.11641	8.0
149.09631	4.8
151.07506	6.0
154.07751	6.0
155.08569	20.4
161.13200	10.5
167.10522	5.4
169.10130	16.7
171.11711	6.7
179.06969	4.0
179.14278	8.0
181.10072	8.0
182.10922	4.2
183.11697	15.7
189.12730	11.6
195.11652	6.3
197.09438	3.8
197.13205	7.0
207.13797	18.1
220.43698	4.7
225.09071	14.7
225.12729	6.1
225.14590	100.0
225.16466	31.0
226.09711	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	225.1482
Annotation	Methyl epijasmonate
Peak:m/z	Relative Intensity
53.03956	6.2
53.04150	1.2
55.01865	6.4
55.05503	29.2
57.03427	8.2
57.07056	3.7
65.03922	1.5
67.05491	27.0
69.03413	7.6
69.07062	10.2
71.04976	8.4
71.25825	1.2
71.70982	2.2
73.06536	1.7
79.05483	26.8
81.03406	100.0
81.07045	33.7
81.97236	1.4
83.04970	36.4
83.08606	30.7
83.09075	2.3
85.02895	2.3
85.06538	5.5
91.05466	30.0
93.07034	18.1
95.04958	37.9
95.08605	14.5
97.02871	4.3
97.06536	7.6
97.10165	7.7
99.04437	5.2
99.08084	2.2
103.05460	1.7
105.03366	3.6
105.07014	23.8
107.04955	7.5
107.05602	1.4
107.08582	9.7
109.06528	10.1
109.10134	4.1
111.04421	3.6
111.08070	14.5
113.05960	1.5
115.05390	2.4
115.93811	1.1
117.06962	2.0
119.04955	2.4
119.08570	21.4
121.06478	2.8
121.10132	9.2
123.08064	7.6
123.11706	2.4
125.05964	2.0
125.09628	2.4
128.06151	1.6
129.06992	13.3
131.08543	11.3
133.06490	4.9
133.10078	10.3
137.09592	3.0
137.97108	1.4
141.06955	2.1
142.07738	3.5
143.08701	1.7
145.10132	1.5
147.04358	1.7
147.08046	5.1
147.11653	16.3
149.09602	8.5
155.08574	2.4
157.10104	14.1
161.13345	1.6
163.11150	2.1
165.05460	1.7
165.09122	1.7
165.12727	3.6
167.08505	1.9
167.10719	2.9
169.10109	3.7
175.11148	19.2
179.14320	1.9
183.11678	3.0
189.12692	1.9
193.12213	49.1
193.66061	1.4
197.05916	2.1
207.06311	1.8
207.09717	1.5
207.13789	5.2
210.13985	1.4
225.09322	6.7
225.12717	4.5
225.14806	6.0
225.16747	7.6
225.19762	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1482
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03931	8.5
55.01862	23.4
55.05503	26.0
57.03416	11.2
57.07059	8.0
59.04985	11.3
61.02924	26.1
65.03909	4.5
67.05495	73.2
68.05819	2.8
69.03421	30.8
69.07057	70.3
71.04980	100.0
71.25173	4.8
71.25497	4.2
73.06541	7.5
79.05477	36.6
81.03389	7.2
81.07040	76.8
83.04968	27.2
83.08614	12.1
85.02876	12.9
85.06518	14.2
87.04448	10.8
91.05460	47.0
93.07025	71.1
95.04949	22.0
95.08594	69.6
96.08942	2.6
97.06515	50.9
99.04420	18.0
99.08064	12.1
103.05439	5.6
105.07012	68.2
107.04962	5.6
107.08573	51.5
109.06503	40.6
109.10133	46.1
111.04440	4.5
111.08059	26.4
115.05469	3.8
115.07552	22.8
117.06995	4.5
119.04924	3.3
119.08565	60.4
119.88577	2.7
121.06474	9.8
121.10128	94.6
122.07270	3.8
123.08054	33.4
123.11668	28.9
125.05965	6.0
125.09595	16.3
127.07488	3.9
131.08525	8.1
133.06459	8.4
133.10117	28.6
135.08028	10.1
135.11703	11.2
137.09595	41.0
137.13251	2.7
139.07558	4.1
139.11147	30.0
139.24686	2.9
141.06898	3.3
141.09102	6.2
143.08540	7.8
145.10080	7.1
147.08023	8.5
147.11662	52.9
149.09590	44.6
151.07532	23.7
151.11165	38.2
156.09364	10.5
159.08009	6.6
159.11681	8.6
161.09631	12.8
161.13211	30.4
163.11118	19.1
165.12720	17.7
167.10698	9.6
169.08606	2.7
171.11649	12.0
174.10384	15.5
177.12717	7.5
179.14305	5.6
183.13887	3.2
189.12718	33.8
189.16325	5.4
207.06458	4.2
207.13753	32.7
207.17397	2.5
225.14815	35.4
225.18214	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05360	0.4
55.05512	0.7
56.05023	0.8
56.96557	1.3
57.07066	0.5
58.06571	0.5
64.20403	0.4
67.05478	0.7
69.07037	0.7
69.98258	2.4
71.05001	0.9
71.08614	0.4
77.31998	0.4
79.05480	1.3
81.03429	0.9
81.07024	0.9
82.99853	0.8
83.04948	0.5
84.96021	0.8
85.02897	0.5
91.05486	0.5
93.07031	0.6
95.04938	0.6
95.08591	0.7
97.06593	0.4
98.97584	0.9
99.04427	1.2
101.00858	6.5
102.97071	0.5
105.03374	1.4
105.07021	0.7
107.08585	1.5
109.06504	0.6
109.10172	0.5
116.98668	0.9
118.03514	1.4
119.01904	58.2
119.08556	0.5
120.01991	2.4
121.01581	0.6
123.08073	0.6
123.11674	0.5
125.02329	0.6
130.03433	0.5
134.99852	3.9
136.04538	0.4
137.02940	28.5
138.03055	1.6
140.98827	0.8
141.05013	0.5
142.03471	6.7
143.03601	0.6
145.03522	0.5
145.48624	0.4
153.00923	3.6
154.01028	0.4
158.06650	0.5
158.51689	0.4
158.99832	3.4
159.06119	0.9
160.00108	0.5
160.02731	0.6
160.04527	3.0
161.02965	1.7
161.04723	0.5
171.04872	0.5
173.01282	0.5
175.03009	0.9
176.02530	1.0
176.07655	0.5
177.00926	100.0
178.01019	11.1
178.03613	0.5
179.00580	3.1
179.04016	2.3
182.99800	1.7
183.01291	0.6
183.06161	1.3
184.02116	0.4
184.04512	1.5
184.06006	0.5
193.04073	1.8
195.01997	1.8
200.02534	3.2
201.00833	4.8
201.02461	3.4
201.07225	1.0
202.00845	0.6
202.02525	2.0
202.05606	1.8
203.03914	0.5
207.01465	0.5
217.04071	10.7
218.03677	1.4
219.01968	86.9
219.94495	0.7
220.02075	18.0
221.01831	3.3
225.00616	3.6
225.04295	1.0
225.09360	0.8
227.03972	0.5
229.01964	0.5
242.03593	5.2
242.96367	0.6
243.01849	12.5
243.10692	0.4
244.02089	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81635	0.5
55.05515	0.8
56.05034	0.8
56.96553	1.3
65.64046	0.4
67.05518	0.6
69.03422	0.5
69.07063	0.4
69.59274	2.6
69.59701	1.2
71.04984	0.4
77.00900	0.4
81.07045	0.9
82.99873	0.7
83.08600	0.5
84.04508	0.4
84.96017	1.7
89.14140	0.4
90.04013	0.4
93.26096	0.4
95.08572	0.5
97.06526	0.7
98.20643	0.8
98.97589	0.9
99.04461	0.6
101.00856	6.4
104.30849	0.4
105.03385	0.7
105.06973	0.5
107.08582	0.7
109.06478	0.4
115.61928	0.4
116.98655	0.5
119.01902	56.6
120.02005	1.9
121.01617	0.8
121.02486	0.4
122.97774	0.4
123.08040	0.6
124.02518	0.4
125.02332	0.7
125.09689	0.4
130.03505	0.5
134.99834	3.8
137.02943	28.7
138.02980	0.5
140.98740	1.0
141.05051	0.4
142.03490	6.2
149.09679	0.5
153.00948	3.6
157.03383	0.4
158.99835	4.4
159.06129	0.5
159.99911	0.5
160.04544	3.3
161.02919	1.6
165.05147	0.5
165.09042	0.5
173.02885	0.5
175.02962	0.7
177.00928	100.0
178.01009	8.4
179.00562	2.3
179.03983	2.3
182.99747	1.9
183.06204	0.8
184.02071	0.5
184.04509	1.8
184.78549	0.4
193.04054	1.9
195.02008	2.0
200.02498	3.1
201.00819	4.9
201.02477	3.2
202.00890	1.0
202.02615	1.5
202.05495	1.5
202.07332	0.6
202.09186	0.6
204.00183	0.5
217.04054	9.5
218.03838	0.5
219.01965	85.4
220.02065	14.9
220.04051	1.0
221.01779	2.0
224.04152	0.5
225.00888	2.9
225.02541	1.3
225.04225	0.7
225.09526	0.6
225.14865	0.5
227.04091	0.6
227.16489	0.4
239.09990	0.5
240.05727	0.8
242.03610	3.9
243.01869	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	223.1689
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03922	3.7
55.01868	8.1
55.05503	16.2
56.96539	3.0
57.03426	6.9
57.07053	3.9
65.03889	2.9
67.05492	26.2
69.03410	15.4
69.07053	19.7
69.79012	9.9
71.04977	21.7
79.05482	34.7
81.03380	4.5
81.07044	38.8
83.04967	10.9
83.08592	4.2
85.02888	7.8
85.06530	100.0
87.04427	2.4
91.05460	29.2
93.07029	50.7
95.04499	1.3
95.04958	14.1
95.08014	2.2
95.08591	39.8
97.02853	2.8
97.06522	14.1
97.07639	1.3
97.10156	2.1
98.20737	2.4
98.97562	4.0
99.04436	3.8
99.08112	7.1
99.97903	1.3
103.05407	2.2
105.07009	39.5
107.04919	4.4
107.08576	34.8
109.02834	2.0
109.06499	10.6
109.10118	10.5
111.04382	2.6
111.07315	2.4
111.08064	43.1
113.05923	1.6
114.92221	1.2
115.05536	1.6
116.98591	2.5
117.06994	14.4
119.07748	1.8
119.08566	33.1
121.02831	1.6
121.06477	13.2
121.10119	25.2
123.04370	1.5
123.08049	49.9
123.11649	2.0
125.05952	3.0
125.09610	13.0
129.06947	3.9
130.07745	2.4
131.04852	2.6
131.08543	21.0
133.06598	2.1
133.10114	20.7
135.04378	2.9
135.08044	12.8
135.11681	9.8
137.05981	3.2
137.09596	19.4
139.07484	5.7
139.11147	3.0
143.08571	3.3
144.09291	4.5
144.67757	1.3
145.06454	2.2
145.10104	32.1
147.08017	2.9
147.11629	4.0
149.02298	8.2
149.05965	2.8
149.09579	12.8
149.13220	3.8
151.03857	3.7
151.07478	2.1
151.11119	3.8
153.09058	1.9
157.10049	2.4
159.11673	23.4
161.05907	1.5
161.09515	4.0
161.13232	19.4
163.03842	4.5
163.07491	4.2
163.11169	12.0
163.14803	1.8
165.09088	16.6
167.06978	3.4
177.00586	1.5
177.05482	1.8
177.09042	1.9
177.12761	10.6
177.16284	1.6
179.10603	5.3
179.14262	4.2
181.12195	1.9
187.11130	5.0
187.14818	12.2
202.06664	3.9
202.56876	1.8
205.04828	2.6
205.08485	3.1
205.12222	11.7
205.13705	1.4
205.14095	1.8
205.15842	16.6
208.08611	1.8
217.61166	1.4
223.05862	12.4
223.09552	5.1
223.11362	1.0
223.13271	23.3
223.16849	45.0
224.17099	1.9
225.04207	11.1
227.02182	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	223.1689
Annotation	Rishitin
Peak:m/z	Relative Intensity
55.05508	15.7
57.03428	15.8
57.07062	6.6
59.04993	3.9
65.03941	2.7
67.05503	19.3
69.03407	9.2
69.07062	31.7
71.04992	3.5
71.30413	6.8
73.06538	2.4
79.05473	17.7
81.07039	42.1
83.04970	9.2
83.08606	10.6
85.06534	6.8
87.04456	8.4
91.05470	23.1
93.07030	43.1
95.04965	8.7
95.08591	42.2
97.06516	7.1
99.04521	2.6
99.08097	8.4
100.04645	2.8
105.07013	73.0
107.04933	3.3
107.08581	80.8
109.06493	13.4
109.10144	25.5
111.08069	7.2
117.06991	12.2
119.08566	45.6
120.52932	2.6
121.06480	14.5
121.10130	78.4
123.08041	18.5
123.11687	23.8
130.07820	5.4
131.08516	22.7
133.10114	23.6
135.08067	15.0
135.11661	17.0
137.09573	5.1
137.13266	7.1
138.93723	3.0
139.07535	6.7
139.11180	5.2
143.08563	3.9
144.09322	3.1
145.10097	85.3
147.08052	3.7
147.11685	45.7
149.02313	15.5
149.09612	15.5
149.13261	42.5
151.11154	3.9
152.57484	2.7
157.10129	7.6
158.10942	4.0
159.11700	12.6
161.13211	26.8
163.11198	17.4
163.14793	100.0
165.09048	3.3
165.12726	4.5
167.07037	4.6
172.12407	4.1
175.14865	4.8
177.12767	7.0
177.16327	29.2
181.10103	6.4
187.13091	3.2
187.14803	63.1
187.16351	5.1
193.10153	7.6
203.01385	2.9
205.12311	3.3
205.15854	76.9
208.12346	4.3
223.06004	10.7
223.11235	6.8
223.14848	9.2
223.16866	60.2
223.20468	4.2
225.04268	6.0
227.02065	3.3
234.16396	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	223.1689
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03934	4.3
55.01846	3.5
55.05509	16.6
57.03424	19.6
57.07059	8.9
59.04985	5.3
60.48400	2.2
67.05501	27.3
67.05857	3.6
69.03415	5.4
69.07053	26.5
70.30885	11.0
71.04988	4.2
72.70622	2.6
79.05487	20.4
81.07048	50.7
83.04980	7.6
83.08607	10.3
85.06545	4.1
87.04454	3.8
89.60970	2.1
91.05457	21.0
93.07030	39.2
95.04958	6.2
95.08592	50.2
97.06526	7.7
97.10168	4.0
99.08078	6.4
105.07018	68.7
107.04935	4.9
107.08577	77.8
108.08942	2.7
109.06520	8.6
109.10131	24.6
111.08073	7.9
117.07008	7.6
119.08562	46.2
121.06459	12.0
121.09254	4.0
121.10128	71.6
123.08053	16.0
123.11691	14.8
130.07732	3.7
131.08545	23.3
133.10110	20.0
135.08060	11.1
135.11644	17.3
137.09573	3.2
137.13251	5.3
139.07521	6.9
139.11171	4.3
143.08551	6.2
144.09334	4.4
145.08969	4.5
145.10106	80.6
147.08035	2.9
147.11670	49.2
149.02338	7.7
149.09602	15.4
149.13249	38.9
149.14424	3.0
157.10129	6.9
158.10928	2.8
159.11632	18.2
161.13225	22.3
163.11145	14.2
163.14795	100.0
165.12746	2.7
167.07030	5.7
167.10605	3.5
172.12437	7.2
175.14796	7.4
177.12659	2.2
177.16377	27.8
187.14801	63.0
205.15866	82.5
223.05898	3.6
223.13283	5.8
223.14941	3.7
223.16887	49.6
225.04208	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	223.1689
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03918	4.5
55.01868	4.8
55.05510	24.7
56.96572	4.2
57.03430	42.2
57.07048	15.3
59.04988	7.4
61.09464	5.3
67.05500	33.3
69.03402	12.1
69.07061	41.7
70.30219	9.1
70.30618	9.6
71.04986	6.9
79.05093	4.7
79.05475	31.4
81.03400	7.4
81.07040	46.0
83.04983	27.0
83.08598	13.5
85.02891	4.2
85.06532	6.7
91.05453	27.7
93.07030	65.3
95.04962	20.9
95.08597	66.1
95.41405	4.0
95.86452	4.4
97.06489	12.5
97.10141	7.3
99.04408	5.6
99.08080	7.1
103.05435	4.7
105.07010	75.3
107.04948	8.2
107.07904	8.1
107.08577	95.5
109.06478	15.1
109.10139	38.3
111.04389	4.9
111.08041	12.7
117.07005	11.6
119.08571	56.3
121.06474	21.8
121.10126	93.3
123.08103	21.1
123.11668	18.3
124.65263	3.8
125.09597	4.8
129.07056	4.2
130.07793	9.8
131.08551	33.8
133.10110	25.7
135.08023	19.7
135.11665	22.0
137.09586	7.7
137.13210	11.6
139.07515	29.6
139.11151	30.1
143.08565	7.4
144.09372	4.9
145.10110	90.9
147.11664	55.1
149.02325	41.9
149.05939	6.1
149.09653	21.1
149.13229	42.2
157.10085	7.8
159.11710	21.3
161.13223	32.1
163.03876	5.6
163.11172	24.2
163.14795	100.0
165.06955	6.1
165.12759	5.5
167.07050	22.8
175.14743	6.3
177.05475	4.8
177.12752	8.6
177.16360	30.8
181.10086	8.5
187.14787	80.2
193.10168	6.2
195.11749	7.0
205.12259	13.3
205.15872	81.5
223.05917	22.3
223.11121	10.8
223.13084	48.2
223.15056	7.6
223.16797	66.4
225.04408	24.0
227.02229	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	223.1689
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03940	4.7
55.05502	13.5
57.03427	18.5
57.07050	4.6
57.25452	2.2
59.04996	3.7
67.05495	13.9
69.03413	6.1
69.07059	20.3
69.75636	13.8
71.04999	2.4
79.05487	14.1
80.36047	1.7
81.03397	2.2
81.07049	24.6
83.04965	6.9
83.08616	9.1
85.06564	2.3
91.05465	16.6
93.07031	36.0
94.07389	1.9
95.04961	6.9
95.08601	31.9
97.06516	5.7
97.10143	4.2
98.20593	2.2
99.04422	4.3
99.08070	3.2
105.07013	46.0
107.04943	3.9
107.08576	68.2
108.08849	1.9
109.06502	7.8
109.10145	17.8
110.07764	2.0
111.08062	7.0
117.06997	7.5
119.08570	22.8
121.06480	10.0
121.10126	61.7
123.08053	9.4
123.11700	17.8
130.07758	2.4
131.08533	16.0
133.10094	16.4
135.08047	8.0
135.11664	16.9
137.09576	3.8
139.07516	5.7
139.11185	5.8
141.57022	1.9
143.08592	2.9
145.10100	36.8
147.08041	2.6
147.11670	23.0
148.40524	1.9
149.02328	8.0
149.09579	13.1
149.13228	38.0
151.11180	8.5
157.10118	3.0
158.10880	1.9
159.11673	8.2
161.13240	8.2
163.11139	13.1
163.14795	100.0
167.07050	4.7
167.08415	2.4
172.12485	3.4
177.12778	5.5
177.16350	20.7
179.08511	2.4
181.10147	3.3
187.14798	26.8
193.10143	3.7
205.12137	3.6
205.15848	45.1
207.93706	1.8
208.12451	3.7
223.06017	6.5
223.11176	3.5
223.13255	8.3
223.14821	8.9
223.16747	27.5
225.04221	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	223.1689
Annotation	Rishitin
Peak:m/z	Relative Intensity
51.69889	2.2
52.17315	2.4
54.14498	2.4
54.69521	2.6
55.01851	3.3
55.05498	14.2
56.55262	2.5
57.03426	16.7
57.07043	8.3
59.05011	3.2
59.53932	2.1
64.44659	2.4
67.05491	15.5
67.32921	2.2
69.03418	8.0
69.07060	27.3
70.52018	6.9
70.52424	5.1
71.04970	3.6
75.55038	2.2
79.05486	20.8
81.03384	4.1
81.07049	32.1
81.07494	4.2
83.04984	11.4
83.08601	13.3
85.06513	5.5
87.04456	4.6
91.05452	16.1
93.07032	44.0
95.04957	10.4
95.08595	46.3
97.06501	7.8
99.08089	5.9
105.06332	4.2
105.07008	62.7
106.68700	2.3
107.04944	3.6
107.08577	88.7
109.06488	10.1
109.10139	32.7
111.08047	8.2
111.97270	2.2
116.06181	2.6
117.06995	8.6
119.08558	48.3
121.06470	13.8
121.10122	63.3
123.02068	2.1
123.08055	17.1
123.11683	19.8
130.07785	6.9
131.08537	23.8
133.10104	24.5
135.08023	19.8
135.11649	15.5
137.09567	8.0
137.13268	5.1
139.07504	5.1
143.08539	3.2
144.09346	2.2
145.08968	4.9
145.10104	79.2
147.07993	2.6
147.11658	45.5
149.02325	14.8
149.09573	20.8
149.13229	39.9
150.09442	2.3
151.11086	2.5
157.10068	5.8
158.10887	4.8
159.11673	17.1
159.12746	2.8
161.13202	24.3
162.75179	2.5
163.11131	17.8
163.14796	100.0
163.97400	2.2
165.06891	3.2
165.12700	3.6
167.06972	5.1
172.12502	6.5
175.14804	7.8
177.12737	4.6
177.16348	23.9
181.10139	2.5
187.13072	3.3
187.14775	65.7
189.58058	2.4
193.10088	6.9
199.33051	2.2
205.12323	2.9
205.15851	84.3
208.12401	3.9
208.71815	2.5
223.05942	9.7
223.11238	5.4
223.13217	10.7
223.14868	7.8
223.16823	48.3
225.04247	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	223.1688
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03938	4.8
55.05498	13.2
57.03437	19.9
57.07066	9.1
59.04973	4.2
64.85343	2.3
67.05494	16.4
69.03429	6.4
69.07067	31.3
71.04973	7.2
71.32111	4.0
71.32428	3.7
79.05480	19.7
81.03419	5.7
81.07048	37.4
83.04975	11.6
83.08607	11.6
85.06518	5.0
87.04477	3.9
91.05435	19.0
93.07026	44.0
95.04971	7.3
95.08591	45.5
97.06516	7.4
97.10162	5.2
99.08072	7.2
105.07021	63.7
107.04918	6.8
107.08582	91.2
109.06486	9.0
109.10142	34.9
111.04414	2.7
111.08092	7.8
117.06997	10.5
119.08562	45.6
121.06465	15.4
121.10127	79.5
123.08049	19.2
123.11707	18.3
129.07004	4.9
130.07736	6.6
131.08562	24.2
133.10101	23.0
135.08067	14.5
135.11699	19.3
137.06010	3.3
137.09592	4.3
137.13206	5.0
139.07477	7.6
139.11179	7.1
140.20520	3.1
143.08504	7.1
145.10109	83.9
147.11659	44.3
149.02296	13.3
149.09586	19.3
149.13231	41.8
151.11005	3.7
153.09125	5.3
157.10124	6.5
158.10837	4.2
159.11620	17.6
161.13225	27.1
163.11198	17.9
163.14795	100.0
167.07045	10.1
167.10732	4.1
172.12524	4.3
175.14722	6.5
177.12743	7.0
177.16356	32.3
187.14784	65.4
187.16336	4.3
205.12491	5.0
205.15857	76.2
208.12465	5.9
223.05969	8.3
223.11183	6.0
223.13200	8.2
223.14847	11.5
223.16922	55.9
225.04321	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	223.1325
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
50.39967	0.8
53.03919	1.1
53.60459	0.7
55.01863	4.2
55.05500	7.2
56.05816	1.9
56.96552	2.0
57.03414	3.1
57.07052	3.1
58.23792	0.7
59.04973	2.4
59.06083	0.7
65.03917	1.0
67.05497	6.2
68.64534	0.8
69.03421	6.0
69.07063	4.9
70.66215	2.8
71.04979	2.0
79.05476	8.0
81.03374	2.0
81.07047	12.0
83.01321	3.1
83.04955	6.2
83.08598	6.3
84.08940	4.4
85.02908	6.1
85.06534	2.5
91.05453	11.5
93.07030	14.2
94.06578	1.2
95.04974	4.9
95.08596	5.6
97.02871	2.0
97.06503	2.2
98.97578	4.0
99.04431	2.6
101.02361	28.4
103.05447	2.0
105.03390	0.9
105.07016	14.3
107.04927	2.3
107.08578	12.8
109.02893	1.1
109.06506	6.0
109.10151	9.6
111.04411	2.9
111.08072	3.2
115.05404	1.6
116.98585	2.2
117.01968	0.9
117.07017	4.6
119.04951	1.8
119.08577	9.3
120.08073	2.7
121.02902	1.0
121.06504	12.3
121.10133	15.9
122.07210	1.0
123.04416	2.1
123.08023	3.4
123.11685	19.6
125.05975	2.9
125.07053	1.1
125.09599	1.1
127.03893	1.5
129.06944	4.0
131.04889	1.2
131.06882	1.1
131.08537	8.5
133.06479	3.6
133.10077	5.7
134.99657	1.0
135.08047	5.7
135.11644	4.0
137.05960	1.5
137.09563	3.4
139.07507	9.1
139.11145	1.4
141.05444	3.5
142.07751	1.0
143.08592	1.4
144.09323	3.1
145.06441	2.5
145.10141	5.2
147.04327	1.1
147.08020	3.1
147.11653	2.7
149.02298	7.8
149.06012	4.8
149.09595	26.2
149.13219	1.1
151.11244	1.3
157.10146	6.1
158.99602	1.5
159.08023	1.7
159.11673	10.8
160.08754	1.0
161.05925	1.0
161.09639	3.2
163.03848	1.8
163.07506	5.2
163.11116	6.4
165.09114	2.9
167.07001	3.7
167.08360	1.3
172.08768	2.3
175.07584	1.3
175.11171	8.7
176.08304	0.9
177.00702	1.8
177.05431	1.3
177.07384	0.9
177.09071	2.5
177.12688	7.4
179.06384	1.0
179.10645	8.8
181.08475	1.0
181.12172	1.8
187.11156	9.2
190.09866	1.3
193.12207	2.8
196.27567	0.7
205.08755	1.3
205.12225	21.1
223.06029	5.7
223.13264	100.0
223.16887	3.3
224.13545	2.2
225.04250	10.9
226.86668	0.8
227.02191	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	223.1325
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03922	3.0
55.01856	4.6
55.05500	11.1
57.03421	17.4
57.07057	2.2
59.04975	4.1
61.01151	1.2
65.03922	3.2
67.05493	20.5
69.03419	24.4
69.07055	11.7
69.93570	1.5
70.86025	2.7
70.86414	3.1
71.04958	4.3
79.05471	15.8
81.03350	3.1
81.07044	22.2
83.04970	32.2
83.08563	2.0
85.02892	12.8
85.06516	4.6
87.04456	30.3
91.04917	2.2
91.05460	28.4
93.07027	32.6
95.04957	11.2
95.08590	21.9
97.02886	2.2
97.06517	9.7
99.04417	2.9
101.02332	2.6
103.05451	3.2
103.72590	1.4
105.07012	12.4
106.60013	1.2
107.04918	5.0
107.08575	18.9
109.05736	2.5
109.06499	51.1
109.10126	15.9
110.07236	2.1
111.04433	6.7
111.08044	7.2
113.05978	1.5
117.06966	5.7
119.06013	1.8
119.08529	13.1
120.73165	1.2
121.02909	1.7
121.06485	56.2
121.10123	19.4
122.07299	8.0
123.08050	11.5
123.11653	2.1
125.05956	6.0
125.09596	3.4
129.06992	1.9
130.07846	1.7
131.08521	7.4
133.10094	5.9
135.04395	2.0
135.08034	6.4
135.11653	7.0
137.05933	3.3
137.09590	100.0
138.09937	2.5
139.03854	2.3
139.07535	10.7
139.11148	21.6
144.09329	1.9
145.06456	1.4
145.10121	8.4
147.08026	3.4
147.11665	2.9
149.02333	3.3
149.05957	12.6
149.09573	12.2
149.13220	2.7
151.11095	1.8
153.05447	15.3
159.11647	9.7
161.09602	4.0
163.03876	2.6
163.07535	4.5
163.11163	15.8
163.14795	5.3
165.09079	4.3
167.07013	63.1
168.07387	1.6
177.12704	11.9
177.16435	1.5
179.10695	3.1
181.12213	4.3
187.11119	5.2
187.14749	1.8
187.90230	1.4
201.57724	1.5
202.44363	1.2
205.12225	13.4
205.15894	4.2
223.05971	3.3
223.13248	46.8
223.16536	8.0
224.13667	1.6
225.04248	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	223.1325
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03931	4.4
55.01850	6.9
55.05504	16.9
57.03427	8.8
57.07047	5.6
59.04992	8.6
60.88128	1.7
61.02890	1.9
64.58733	1.5
67.05496	19.4
69.03103	1.5
69.03416	20.0
69.07065	7.7
71.01000	2.8
71.01376	3.5
71.04967	6.0
79.05480	19.7
81.03407	10.8
81.07040	20.7
83.04962	47.8
83.08596	7.2
85.02885	15.5
85.06506	6.3
91.05458	22.1
93.07027	45.6
95.04968	22.3
95.08079	2.2
95.08589	23.6
96.21960	1.6
97.02891	3.3
97.06522	15.3
99.04433	4.5
103.05428	3.4
105.07012	21.0
107.04919	5.0
107.08569	34.4
109.02861	3.9
109.06495	17.7
109.10129	18.0
110.44045	1.7
111.04439	3.4
111.07310	3.6
111.08060	61.0
113.05975	3.7
117.07035	9.1
119.08551	27.5
121.05611	1.9
121.06489	35.1
121.10122	37.8
123.04401	4.0
123.08040	25.2
123.11659	1.7
125.05951	6.2
125.09594	7.6
127.07498	2.9
129.06955	3.1
130.07771	4.7
131.08543	10.1
133.06442	2.4
133.10118	10.3
135.04416	2.7
135.08034	100.0
135.11662	26.7
136.08749	5.3
137.05948	3.6
137.08585	2.8
137.09586	34.7
139.07516	48.3
139.11147	6.0
143.08545	1.9
144.09293	5.8
145.06464	2.1
145.10091	18.7
147.07985	7.1
149.02299	6.8
149.05919	6.6
149.09593	34.2
149.13205	7.4
151.11142	4.9
153.09048	5.3
153.12732	2.2
157.10059	2.3
159.08006	2.7
159.11664	37.6
161.09583	8.2
161.13225	3.5
162.10272	2.4
163.03871	4.0
163.07539	3.9
163.09789	2.2
163.11160	44.7
165.09096	21.1
167.07034	9.2
167.10747	2.4
172.08754	3.4
177.09157	3.7
177.12717	50.1
179.10614	13.6
181.12193	16.2
183.32408	1.8
187.11180	14.0
195.13782	10.9
205.04886	2.6
205.12219	32.7
205.15869	2.9
223.05977	8.8
223.09726	3.5
223.13240	92.7
223.16881	5.9
224.13557	2.2
225.04262	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	223.1326
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
51.28271	2.0
53.03931	4.6
55.01850	5.5
55.05507	20.5
57.03431	11.4
57.07059	3.3
59.04974	7.7
67.05174	2.7
67.05499	26.2
69.03419	34.6
69.07059	10.8
69.99157	1.8
71.04983	6.2
71.70821	4.3
75.04455	6.5
79.05490	15.7
81.07047	24.1
83.04511	3.5
83.04971	45.4
83.08595	11.2
85.02884	13.6
85.06541	10.8
91.05457	22.8
93.07032	34.6
95.04942	20.2
95.08596	20.5
97.02912	2.5
97.06509	10.5
97.10081	2.5
99.04428	6.1
99.08054	2.7
103.05433	3.7
105.07020	19.7
107.04935	6.1
107.08578	27.9
109.02852	13.6
109.06535	11.1
109.10136	47.3
111.04436	2.3
111.08067	34.3
113.05970	2.6
117.07040	5.0
119.08563	21.2
121.06497	20.8
121.10123	25.1
122.07248	7.8
123.04404	3.9
123.08070	21.2
125.05960	8.3
125.09609	5.9
127.03960	3.2
129.07004	2.6
130.07716	2.3
131.08531	9.8
133.06412	3.0
133.10110	11.3
135.04427	11.3
135.08035	49.7
135.11674	16.4
137.05945	3.0
137.09592	100.0
137.10667	4.8
139.07516	34.5
139.11215	12.3
144.09302	5.4
145.10081	15.4
147.07997	4.0
149.02309	5.5
149.05989	8.4
149.09592	29.2
149.13243	4.8
151.11153	3.3
153.09064	5.0
159.11667	18.2
160.84935	2.1
161.09575	9.8
161.13213	2.7
162.03159	4.2
163.03905	13.5
163.11179	30.5
165.09109	25.0
167.07036	24.1
167.10663	3.6
172.08861	3.6
177.05399	6.4
177.12737	32.8
178.75287	2.4
179.10646	15.8
181.12187	15.6
187.11145	6.0
195.13811	4.4
205.12195	23.4
205.15901	4.9
223.05984	14.9
223.09666	3.2
223.13263	73.4
223.16579	11.3
225.04265	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	223.1324
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03929	7.1
55.01851	8.5
55.05506	14.7
56.05021	2.0
56.96547	10.2
57.03427	11.7
57.07066	11.4
59.04715	2.9
59.04990	50.5
61.02906	4.9
65.03915	3.2
67.05486	23.5
69.03417	45.6
69.07050	15.6
69.92317	4.0
69.92730	10.2
71.04973	8.9
79.05480	28.7
81.03397	6.3
81.06602	4.0
81.07039	47.8
83.04967	42.3
83.08579	6.9
84.08137	3.0
85.02888	11.3
85.06514	6.2
91.05458	51.7
93.07025	66.6
94.04187	2.6
95.04939	26.1
95.06044	2.6
95.08582	22.6
97.02875	12.2
97.06504	12.7
98.97561	28.9
99.04401	5.6
103.05419	7.5
105.03357	10.2
105.07014	50.7
107.04918	14.7
107.08567	46.6
109.02843	5.2
109.06493	92.4
109.07625	4.7
109.10140	19.0
111.04446	10.5
111.08057	20.8
113.06023	3.0
115.05412	8.2
116.98622	17.8
117.06988	18.6
119.04887	10.9
119.08557	32.0
121.02818	4.0
121.06484	47.1
121.10109	31.2
122.07182	3.1
123.04448	2.9
123.08059	27.9
123.11663	2.9
125.05929	7.9
125.09612	6.4
127.07526	2.6
128.06174	3.1
129.06972	17.8
130.06535	2.5
130.07759	3.0
131.04881	5.2
131.06866	3.6
131.08545	26.2
132.04297	3.0
133.04814	2.4
133.06461	8.9
133.10106	35.0
134.03632	4.4
134.28630	2.3
134.99614	13.8
135.04376	8.1
135.08040	33.5
135.11670	21.8
137.05940	11.2
137.09584	30.1
139.07521	21.7
139.11165	3.9
140.00208	2.6
140.86179	2.0
142.07739	17.1
143.08467	3.2
144.09315	8.0
145.06441	9.2
145.10097	25.1
147.04404	3.3
147.07962	12.1
147.11678	10.4
149.02290	21.0
149.05962	8.0
149.08357	2.6
149.09590	53.2
149.13249	8.0
149.44485	2.6
151.03914	5.9
151.07477	5.0
151.11137	13.7
153.09087	4.9
157.10103	37.6
158.10646	2.8
158.99626	13.5
159.08022	7.4
159.11641	29.7
161.05977	3.1
161.09624	13.0
162.03108	10.1
162.10396	2.8
163.03870	8.5
163.07536	5.5
163.11165	35.9
165.05002	2.4
165.09084	18.7
165.12753	2.6
167.03424	2.5
167.06979	9.9
169.10068	4.1
172.08847	11.3
173.13268	7.6
175.11140	69.5
177.00670	17.9
177.05359	4.4
177.07364	6.3
177.08987	4.1
177.12686	35.8
178.04895	2.6
179.03369	6.7
179.10597	18.9
181.12201	8.8
186.05380	6.0
187.11160	37.1
190.02609	6.0
193.12202	92.3
193.13974	4.4
195.06198	5.3
195.08038	2.5
195.13847	4.5
203.00496	2.5
203.07564	2.5
205.04880	3.0
205.08444	3.7
205.12210	28.1
206.12047	2.5
207.02890	7.6
208.03656	9.2
214.08391	2.8
223.02318	6.9
223.05948	59.5
223.09319	14.2
223.13255	100.0
223.16861	11.3
224.06319	3.1
224.09105	5.3
224.13512	2.5
225.04236	30.2
227.02136	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.0
55.05504	57.9
56.96556	1.9
57.07076	0.9
58.99573	3.6
59.06113	0.8
60.04502	0.7
65.43176	0.5
67.05487	1.9
69.03411	2.1
69.07046	0.7
70.06574	1.6
70.56603	1.7
72.08144	0.6
76.02223	1.7
79.05474	0.9
81.03411	0.9
81.07042	1.6
82.06579	0.7
83.04979	1.0
83.08607	100.0
84.08948	1.1
85.02899	1.5
86.99046	5.2
87.15810	0.5
91.05460	1.4
93.07024	2.0
94.06562	0.7
95.04940	1.4
95.08617	0.9
97.02865	1.2
97.07603	0.9
98.06000	0.6
98.97575	2.9
101.02387	1.8
101.09639	13.1
103.05475	2.7
105.00066	6.8
105.03440	0.5
105.07015	1.8
107.04951	0.8
107.08555	1.8
109.06510	1.1
109.07629	0.9
109.10149	0.8
110.06033	0.8
111.08105	1.0
116.98621	2.5
117.07001	0.6
119.04897	0.5
119.08582	1.0
121.06467	1.3
121.10139	1.7
122.02721	0.9
122.07034	0.8
123.11716	1.5
130.06496	2.6
131.04939	5.4
131.08542	0.9
133.10120	0.7
134.99625	1.6
135.08015	0.9
135.11732	0.8
136.06161	1.1
136.08626	0.6
137.05994	1.3
147.90759	0.5
148.07536	1.4
148.08626	0.9
149.02383	0.8
149.05910	1.1
149.09619	1.8
158.05998	1.4
158.99638	0.9
159.08328	1.4
161.05946	0.9
162.06401	1.1
163.03856	0.7
163.07549	4.0
165.09171	0.7
175.11169	1.0
176.06978	3.7
177.00693	0.8
177.09116	0.7
177.12907	0.6
179.10715	0.8
189.07944	0.7
190.12389	0.7
198.96786	0.6
204.06461	1.3
204.10199	0.7
205.08931	14.7
205.10725	0.7
205.12181	1.4
207.08925	0.8
207.13676	0.8
216.98093	0.7
222.07819	2.4
222.11374	7.2
222.13373	1.6
222.15042	2.5
223.06186	0.9
223.13261	6.8
225.04332	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07332	1.8
74.06047	2.6
78.04220	1.1
83.46699	1.2
84.96697	1.2
86.09691	18.1
92.61050	1.2
104.10701	1.5
110.67318	1.0
162.94604	18.4
204.08632	1.5
207.25555	1.2
222.01935	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1121
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
51.02359	0.5
53.03924	0.5
55.01858	0.4
56.05033	1.3
56.96550	1.3
59.06110	0.8
60.04522	4.3
67.05487	1.7
69.03412	0.8
69.28863	0.4
69.82533	1.2
69.82968	2.0
70.06573	0.8
72.08134	0.6
79.05485	1.3
81.03406	4.5
81.04478	0.6
81.07028	0.7
82.18533	0.5
85.02898	0.8
87.89639	0.5
91.05469	1.5
93.07045	0.8
95.04945	1.6
97.02896	0.7
98.97581	3.6
103.05454	43.2
104.05794	1.0
105.07044	1.1
105.68264	0.4
107.04951	1.3
109.02849	0.8
109.06535	0.6
110.06017	0.6
111.08052	0.4
112.07635	0.5
115.05459	0.5
116.98620	3.0
117.06995	0.8
119.04921	0.9
120.08092	1.7
121.06484	0.9
122.03606	0.9
123.04341	0.6
130.06497	0.6
131.04910	88.0
132.04398	1.5
132.05301	1.4
133.02817	0.6
134.09593	0.5
134.99683	1.6
135.04404	0.7
135.08015	0.7
137.05957	11.8
143.04868	0.7
145.06487	1.3
147.04465	0.4
148.07542	3.3
149.02277	0.8
149.08246	0.4
150.09146	0.5
151.07593	0.5
153.00705	0.6
158.06010	0.6
158.99673	1.9
160.11180	1.0
161.05959	0.7
161.08319	4.3
162.09035	0.7
163.07524	45.5
164.07886	0.7
165.05452	3.1
174.09155	0.7
176.07039	9.8
177.00661	2.2
177.09096	1.6
179.29663	0.5
180.10156	5.5
188.06973	0.6
189.07823	6.1
190.08580	9.3
192.10194	1.2
204.06569	1.3
204.10182	4.0
207.08879	10.1
207.13733	0.5
210.06503	0.6
222.11229	100.0
223.06003	0.8
223.11526	1.7
225.04332	1.9
227.02220	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03924	3.3
55.05501	27.3
57.07055	9.0
67.05494	30.5
69.03426	2.9
69.07057	42.7
71.04984	7.1
71.08604	4.6
79.05473	20.4
79.16622	2.3
81.07043	90.7
83.04953	5.5
83.08616	15.3
85.06519	5.7
90.69832	2.1
91.05467	22.8
93.07030	45.6
95.04969	3.6
95.08594	80.4
97.06504	7.7
97.10146	7.7
98.20678	5.8
99.08058	4.5
105.07011	57.2
107.04865	3.1
107.08575	76.1
109.06503	9.1
109.10141	59.8
111.08076	8.3
115.05399	2.9
117.07039	3.4
119.08561	57.3
121.06433	4.4
121.10138	38.0
123.08052	10.7
123.11684	26.0
125.09645	12.4
129.06985	3.9
131.08533	6.5
133.06479	7.4
133.10115	38.3
135.08072	5.7
135.11684	21.9
137.05893	2.9
137.09592	5.0
137.13252	3.5
143.08517	2.5
145.10054	3.7
147.08014	5.9
147.11661	55.1
149.13257	7.4
151.11159	30.9
157.10133	4.7
159.11707	4.4
161.05983	4.3
161.09573	2.7
161.13245	33.8
163.14786	38.0
165.09103	3.5
165.12753	8.1
175.07541	3.5
175.14793	22.4
177.16408	5.8
179.14343	2.7
185.13278	4.5
193.08627	3.5
193.15945	3.1
203.10541	3.9
203.14301	10.6
203.17928	100.0
219.15599	2.4
219.93929	2.3
221.04314	4.2
221.08032	6.8
221.11705	4.1
221.15582	19.7
221.18985	81.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05504	13.3
57.07068	2.1
59.67476	2.2
61.57720	1.9
67.05493	11.1
69.03426	2.6
69.07072	12.4
70.85976	6.8
71.04994	20.2
79.05482	18.0
81.06601	3.9
81.07044	49.2
83.04947	2.5
83.08612	6.0
85.06544	2.2
91.05473	11.5
93.07037	34.9
95.04920	2.9
95.08588	25.2
97.10169	2.2
99.08084	4.6
105.07014	22.4
107.04953	2.3
107.08589	52.9
109.10142	24.9
111.08077	4.0
113.06985	2.0
113.09715	2.1
117.06989	3.0
119.06873	2.7
119.08576	40.1
120.08875	2.1
121.10117	11.7
123.08035	3.5
123.11682	19.1
127.11216	5.1
128.64740	1.8
131.04907	2.1
131.08565	2.9
133.06433	3.1
133.10100	22.5
135.11676	100.0
136.12068	3.1
137.09583	4.4
145.10181	2.7
147.11670	22.0
147.69809	2.0
149.13287	8.3
151.11166	3.6
159.11737	2.9
161.05984	4.1
161.13181	11.7
163.09512	2.2
163.14822	4.8
163.60770	1.9
165.12752	3.5
173.13304	2.7
175.14822	4.1
176.14345	4.5
177.11220	2.4
177.14682	18.8
177.16258	3.3
191.12483	2.7
203.07083	2.7
203.10548	2.3
203.16135	3.6
203.17923	31.0
221.08052	3.3
221.15321	3.4
221.17282	76.8
221.19057	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1896
Annotation	[1S-(E)]-4-(1,5-Dimethyl-4-hexenylidene)-1-methyl-7-oxabicyclo[4.1.0]heptane
Peak:m/z	Relative Intensity
50.24765	0.5
51.38420	0.4
53.03930	1.0
53.77986	0.5
55.05504	15.0
57.07070	3.3
59.04992	1.4
65.96638	0.5
67.05492	3.7
69.03416	1.2
69.07060	100.0
69.48944	2.8
69.49367	1.9
70.07378	0.7
71.04976	0.7
71.08646	0.7
73.06542	2.5
79.05490	2.1
81.07047	10.4
81.07484	0.9
83.04971	1.4
83.08593	3.0
91.05478	1.8
93.07033	5.2
95.04942	0.6
95.08601	7.0
97.06506	0.6
98.21482	1.0
100.78165	0.6
101.20626	0.5
105.07011	4.3
107.08582	6.3
109.06506	6.0
109.10141	5.9
111.08090	3.2
111.11706	39.2
112.12033	0.7
119.08549	4.1
121.10125	7.8
123.08073	3.7
123.11689	0.8
133.10107	3.2
135.11685	2.4
137.09593	3.7
147.08054	0.8
147.11662	5.0
149.13222	6.1
151.11188	2.9
151.17352	0.6
161.13261	2.1
163.14796	6.0
165.09088	1.2
165.12737	3.3
175.14897	0.8
203.14230	0.5
203.17943	7.8
206.10933	0.9
206.16260	1.1
221.04343	0.8
221.07901	0.7
221.11555	0.9
221.15433	1.5
221.18985	50.8
222.19276	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1896
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.00292	1.4
53.03946	1.7
54.90756	1.3
55.05504	10.5
57.03402	1.9
57.07057	2.8
60.00526	1.2
63.86692	1.2
65.03912	1.6
67.05488	14.5
69.03419	2.4
69.07058	16.7
70.15426	6.6
71.04984	22.3
79.05487	18.8
79.18689	1.0
81.03348	1.2
81.07046	70.0
83.04932	3.1
83.08600	6.9
85.06495	3.5
91.05475	19.4
93.07030	46.2
95.04939	6.4
95.08006	2.5
95.08593	38.2
97.06491	4.2
97.10159	3.4
99.08060	4.8
103.05482	2.1
105.07011	51.2
106.07301	1.4
107.08577	68.4
109.06490	7.8
109.10143	27.9
111.08038	3.8
115.05444	1.9
115.37797	1.1
116.31227	1.4
117.06986	5.4
119.08566	61.0
120.08877	1.4
121.06506	6.4
121.10130	12.5
123.08039	3.6
123.11679	21.5
125.09630	3.3
127.11156	4.4
129.06931	3.7
131.04903	1.3
131.08549	21.9
133.06490	2.7
133.10107	31.4
135.08049	10.1
135.11678	100.0
137.05937	2.2
137.09586	3.9
137.13220	3.2
143.08511	5.0
145.10100	9.8
147.04359	1.8
147.07988	3.2
147.11661	29.7
149.05974	1.9
149.13234	8.4
151.11169	2.7
156.09309	1.9
157.10075	2.7
157.63672	1.3
158.10898	2.6
159.11713	4.0
160.12489	1.4
161.05977	5.0
161.09593	4.5
161.13243	20.2
163.11150	1.4
163.14792	10.0
165.09119	1.6
165.12721	1.9
170.10864	2.3
173.13231	20.7
175.07536	2.5
175.11197	2.4
175.14798	16.8
177.16360	2.4
179.03322	2.7
185.13203	5.5
189.88924	1.4
191.14226	6.2
193.15871	1.6
203.06972	1.8
203.10719	1.8
203.14354	11.2
203.17929	34.3
204.18161	1.7
206.05887	1.4
206.10812	1.4
221.04410	5.5
221.07941	2.9
221.11687	1.8
221.13461	2.3
221.15536	12.2
221.18970	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1531
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03921	2.5
55.01869	2.4
55.05502	10.6
57.03432	1.8
57.07058	3.3
67.05498	15.6
69.03437	2.3
69.07056	17.6
71.04977	4.1
71.51266	2.4
76.69928	1.4
77.17589	1.3
79.05480	14.8
81.07043	37.3
83.04969	3.6
83.08599	5.2
83.54322	1.5
85.06512	7.2
91.05463	20.7
93.07030	28.1
95.04961	5.2
95.08591	34.0
97.06493	3.6
103.05457	3.6
105.07011	100.0
105.56036	1.7
106.07349	1.8
107.04922	2.6
107.08580	34.0
109.06504	2.2
109.10135	16.1
111.04437	17.3
111.08061	3.7
111.11620	1.8
115.05492	2.0
116.06319	1.9
117.07013	10.3
119.08562	60.8
119.09418	3.3
121.06477	13.0
121.09351	1.9
121.10143	14.5
123.08018	4.4
123.11688	8.0
125.09634	2.2
128.06245	2.9
129.06996	7.7
130.07765	1.7
131.08542	90.5
133.06493	4.7
133.10117	31.1
135.08038	3.4
135.11650	10.0
137.05904	2.6
137.09607	3.4
142.07755	4.5
143.08539	14.8
144.09317	4.7
145.10080	22.8
147.08052	3.7
147.11665	19.1
149.02345	3.5
149.09680	1.9
149.13248	6.4
151.07538	2.7
153.08891	1.8
156.09323	2.2
157.10086	10.3
158.06004	1.5
158.10881	9.1
159.11665	10.3
161.05911	3.8
161.09605	6.2
161.13246	16.5
163.11140	2.4
163.14781	21.0
170.10909	5.3
173.13242	98.2
175.07588	1.9
175.11298	2.3
175.14799	41.2
177.12708	2.5
177.16376	2.6
179.06876	1.6
185.13210	12.3
191.08580	2.7
191.14267	14.7
193.08559	1.8
193.15938	3.9
203.10710	1.7
203.14278	26.0
203.17931	10.4
221.08066	2.4
221.11465	3.0
221.13252	6.1
221.15294	26.1
221.18990	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0917
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
58.77910	0.6
67.05502	0.9
71.09081	1.8
77.45184	0.6
81.07035	1.4
82.02920	1.9
91.05431	1.4
94.06543	3.7
95.04958	0.9
103.05456	1.1
105.07050	0.9
111.08042	0.8
115.05407	1.4
119.08642	1.1
120.08064	1.7
121.06491	0.8
124.61102	0.7
130.06509	62.4
132.04428	41.2
134.06007	4.1
146.06009	1.9
147.06378	1.2
147.09132	2.0
148.07532	3.3
155.08856	0.8
156.06795	0.9
157.07594	24.6
158.05992	77.1
159.06409	1.4
160.07544	2.4
162.05489	8.3
170.15678	0.9
175.08649	100.0
176.06999	1.7
176.09029	1.3
186.05482	4.2
203.08104	1.4
204.06560	13.6
204.08395	1.5
221.09196	19.2
221.15369	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1533
Annotation	Oblongolide
Peak:m/z	Relative Intensity
50.12925	0.7
53.03927	1.6
55.01860	1.5
55.05509	10.5
57.07067	2.9
60.48209	0.7
61.02929	0.8
65.03944	0.7
67.05498	9.4
69.03423	0.7
69.07063	7.4
70.46135	2.7
70.46497	0.9
71.04993	3.1
79.05486	20.9
81.07047	14.9
83.04967	1.1
83.08624	3.4
85.02902	0.7
85.06516	1.5
91.05470	52.5
91.54931	0.7
93.07031	21.2
95.04947	3.1
95.08607	8.9
97.06515	0.9
99.04417	0.7
103.05459	2.8
105.07022	96.7
106.07346	1.3
107.04996	0.8
107.08588	12.5
109.06495	5.7
109.10155	2.8
111.08070	1.0
113.06005	0.8
116.07063	0.6
117.07013	8.0
119.08572	73.4
121.06515	5.4
121.10130	5.7
123.08096	2.2
123.11717	1.1
128.06219	2.4
129.07011	5.5
131.08540	4.4
133.06464	9.4
133.10118	25.3
135.08046	2.7
135.11671	1.4
137.05940	1.2
137.09575	1.0
139.07536	1.8
143.08565	5.1
145.10144	1.2
147.08044	13.9
147.11674	7.4
151.07524	7.9
157.10124	2.8
159.11682	13.2
161.09625	7.1
161.13245	100.0
162.13594	2.3
165.09123	7.4
173.73715	0.7
175.11179	3.1
175.14801	12.5
179.10637	4.9
185.11690	1.2
185.13217	9.3
198.80617	0.9
203.14301	17.4
203.16093	1.4
206.10841	0.9
221.15338	29.5
221.18724	1.6
222.15601	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1693
Annotation	Fabianine
Peak:m/z	Relative Intensity
50.49382	0.2
69.07078	0.3
69.72801	0.7
69.73235	1.1
78.70734	0.2
81.07030	0.4
91.05458	0.5
93.07050	0.3
94.07364	0.3
95.08581	0.4
105.07004	0.6
106.06517	0.3
107.08581	0.4
109.10104	0.4
118.06531	10.8
119.07289	0.5
119.08549	0.4
121.06483	0.3
122.10427	0.3
131.08549	0.3
131.34438	0.2
132.08061	2.4
133.08832	1.0
133.10068	0.5
134.09621	0.9
144.07994	0.3
146.09605	3.1
147.10410	0.4
151.94382	0.3
159.94157	0.3
160.11150	0.6
162.09119	5.5
176.10759	3.9
176.14323	26.8
177.11438	1.2
177.14722	0.7
190.12244	3.5
198.60921	0.3
202.15941	0.9
205.15855	1.0
220.16936	100.0
221.17261	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0805
Annotation	CHEBI:69693
Peak:m/z	Relative Intensity
54.08366	0.3
55.01861	0.8
55.05500	0.7
57.07058	0.5
67.05482	1.5
68.99787	0.4
69.07044	1.1
69.76745	2.9
79.05468	1.6
81.03401	1.0
81.07034	2.3
83.08618	0.6
89.03893	1.0
91.05462	4.3
93.07024	1.6
95.04935	0.9
95.08578	1.7
99.04404	0.5
103.05439	2.0
105.07013	5.4
105.21770	0.4
107.04934	0.8
107.08578	1.8
108.49972	0.4
109.02891	1.0
109.06487	0.5
109.10130	0.9
111.08060	0.4
115.05432	5.3
115.57803	0.4
117.03365	0.5
117.07005	13.5
119.04947	0.8
119.08574	2.4
121.06492	0.6
121.10107	0.9
123.04442	0.5
123.08063	0.7
129.06978	0.8
131.04910	5.4
133.06480	2.6
133.10118	1.5
135.04422	2.3
135.08005	0.6
135.11674	0.6
137.05978	0.6
137.09579	0.5
142.07587	0.3
145.06470	14.7
147.04376	10.4
147.08014	1.7
147.11661	1.3
149.05971	3.4
151.03835	0.4
151.07489	0.6
155.04915	0.4
155.06035	0.9
157.09978	0.5
159.04401	0.4
159.11702	0.5
160.05211	0.7
161.05966	11.2
161.09581	0.6
161.13254	1.8
163.07516	1.5
165.05437	0.4
165.09106	0.4
173.05956	17.1
174.06363	0.4
175.03859	2.2
175.07512	1.3
175.11171	0.5
175.14706	0.9
177.05450	1.4
179.14166	0.4
188.04666	6.1
191.07013	5.9
193.04948	0.7
193.10089	0.5
203.07004	100.0
203.51291	0.3
204.07352	3.1
206.10802	0.4
206.16255	1.0
221.04573	0.6
221.08052	13.5
221.11635	1.2
221.13458	0.6
221.15309	2.2
221.17407	0.6
221.18756	0.8
222.08382	0.4
223.05988	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1176
Annotation	D-pantothenic acid
Peak:m/z	Relative Intensity
55.01848	3.3
55.05484	4.4
56.05014	1.3
56.96533	2.3
57.07069	12.0
58.84792	0.9
59.04979	4.2
60.04496	2.4
61.02898	1.7
61.44487	1.1
65.03912	1.2
66.39703	1.0
67.05499	8.7
68.05003	1.2
69.03405	4.4
69.07055	5.1
70.02936	7.8
70.06561	3.3
71.01323	3.4
71.04942	1.0
71.69415	1.3
72.01664	1.8
72.04500	15.6
72.08149	9.3
73.02883	3.8
74.02410	1.1
75.04446	3.3
76.04808	1.5
79.05455	4.5
81.07041	6.0
83.04965	1.9
84.04479	2.4
84.08160	1.1
85.02876	1.5
85.06528	10.9
86.06068	5.3
86.09679	2.8
87.04453	17.3
90.05540	100.0
91.05451	5.2
92.05778	1.4
93.07000	2.2
93.49558	1.0
95.04957	9.6
96.04464	3.5
96.08099	2.6
97.02878	1.4
98.02402	11.6
98.06036	21.1
98.97556	5.7
100.03949	3.9
103.03905	2.9
103.07587	6.4
104.04243	3.0
105.07004	2.9
106.07290	1.3
107.04913	1.8
107.08559	2.0
109.06510	1.5
111.08035	2.1
113.05963	3.5
116.03442	16.0
116.98586	3.7
119.08542	3.0
120.08904	1.5
121.06477	1.3
121.10112	1.6
122.10471	2.8
124.07585	18.7
124.08443	2.1
129.06915	1.0
131.06993	1.7
133.10107	2.4
134.10410	2.7
134.99609	3.9
136.07455	1.0
137.05899	2.5
140.10686	13.4
142.08606	7.5
145.10075	1.9
146.05956	1.5
147.04326	1.1
156.10129	1.3
158.11745	63.8
159.02898	1.1
160.03233	7.0
160.09641	1.8
161.06013	1.1
164.10699	1.5
165.05394	1.2
166.08597	2.1
174.09067	2.0
174.11290	1.8
175.07336	1.3
175.74380	1.0
177.00641	1.6
177.12691	3.1
184.09648	18.1
188.11577	1.4
192.02924	1.3
202.08823	2.0
202.10707	23.3
202.14311	5.2
203.14372	1.5
204.14627	15.7
205.15857	31.2
220.05811	1.7
220.09645	6.3
220.11765	27.2
220.15375	5.3
220.17757	50.1
221.04350	1.5
235.50044	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1741
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03921	1.7
55.01852	1.2
55.05275	0.6
55.05506	6.2
57.03421	1.0
57.07050	2.7
58.27161	0.7
61.87880	0.6
67.05499	14.0
69.03404	2.1
69.06738	0.8
69.07062	9.0
69.84260	0.8
70.85514	0.9
70.85875	2.0
71.01360	0.8
71.04977	5.3
79.05482	12.1
81.07049	44.4
83.04980	4.2
83.08604	3.3
85.06516	2.6
91.04920	1.0
91.05470	12.8
93.06434	0.8
93.07032	24.8
95.04961	7.5
95.08595	31.5
97.06517	15.2
97.10158	1.2
98.97568	1.3
103.05452	16.5
105.07017	29.8
107.08582	24.9
107.09312	1.1
109.06502	7.5
109.10145	17.9
111.08094	5.2
115.05412	3.0
116.81921	0.7
117.06991	6.7
118.06536	1.6
119.08565	27.2
121.06520	3.5
121.10123	22.0
121.71725	0.7
122.58839	0.7
123.08072	9.4
123.11684	13.5
125.09610	6.6
128.06174	2.2
129.06982	7.8
130.07768	2.5
131.04915	16.6
131.08543	18.8
133.06514	0.9
133.09152	1.4
133.10109	15.0
135.08029	2.4
135.11681	9.7
137.05940	0.9
137.09567	2.8
137.13272	1.1
139.53500	0.8
141.06972	6.5
143.08517	2.3
144.05664	1.5
144.09300	2.3
145.06467	3.2
145.08972	1.7
145.10107	27.4
146.07253	0.9
146.10568	0.7
147.04475	0.8
147.07990	0.9
147.11661	7.5
149.09598	2.3
149.13223	4.9
151.11243	1.3
157.06444	4.2
157.10078	3.0
158.07231	3.1
159.04408	8.7
159.08052	5.0
159.11684	27.9
160.05122	1.3
161.06004	2.1
161.09584	1.6
161.13245	24.0
163.07498	0.9
163.11169	4.9
163.14835	3.4
169.06454	2.0
170.07175	0.8
173.05971	2.4
173.13245	12.8
174.06743	12.2
175.07484	1.3
175.14778	5.4
176.10765	0.8
176.14314	4.7
177.09070	1.0
177.12706	1.7
177.16386	1.7
186.06717	2.7
186.13881	0.7
187.03868	8.0
189.09100	14.5
190.07780	1.2
191.10677	1.0
191.14238	1.6
191.17941	3.3
201.05391	2.2
201.09067	7.0
201.12642	1.4
201.16365	41.0
202.16676	0.9
203.14272	9.4
205.16040	1.0
219.06396	7.5
219.08127	2.7
219.10062	17.9
219.13835	3.8
219.17410	100.0
220.16910	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	219.1741
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03941	1.7
55.05511	7.9
57.03425	1.4
57.07068	5.4
65.03954	0.8
67.05496	13.5
69.03412	1.9
69.07056	11.2
70.27287	4.2
71.04969	2.5
79.05494	12.2
81.07048	31.2
83.04959	3.6
83.08602	3.3
85.06522	2.1
91.01036	0.8
91.05461	10.1
91.11320	1.0
93.07033	23.0
95.04967	4.5
95.08598	27.5
97.06528	6.2
97.10125	1.2
103.05431	1.4
105.07018	30.1
107.04977	1.0
107.08588	26.5
109.06518	6.9
109.10146	16.9
111.08077	4.8
115.05421	1.6
116.06213	1.3
117.07008	6.3
117.50764	0.9
119.08569	28.2
121.06474	4.0
121.10133	21.1
123.08057	4.5
123.11743	4.4
125.09629	4.2
129.06979	2.9
130.07755	2.0
131.04887	1.6
131.08560	16.6
133.06535	0.8
133.10097	14.5
135.08070	5.4
135.11688	12.8
137.09607	2.8
139.11159	1.3
143.08542	2.2
144.09335	3.2
145.06424	1.2
145.10112	32.0
147.11668	11.0
147.69925	1.1
149.09610	3.3
149.13254	4.3
151.11172	1.5
157.10110	2.5
158.07248	1.7
158.10962	1.1
159.04396	0.9
159.08000	1.6
159.10361	1.7
159.11679	29.3
161.13237	22.3
163.07613	1.0
163.11186	8.5
163.14835	2.8
173.13232	9.7
174.06784	2.7
175.14816	7.4
175.24130	0.9
177.12743	2.9
177.16383	2.8
189.09120	2.6
189.16365	1.0
191.14288	1.3
191.17867	5.3
201.09103	1.8
201.16365	41.3
203.14319	7.5
219.06509	1.4
219.10208	5.1
219.13840	2.7
219.17421	100.0
220.17743	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	219.174
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03936	1.5
55.01847	1.6
55.05503	7.9
57.03423	1.5
57.07067	2.6
67.05497	15.6
67.36439	1.1
69.03401	1.8
69.07050	9.3
70.92010	1.1
70.92341	2.8
71.04961	3.0
79.05478	13.0
81.07046	40.7
83.04946	3.9
83.08604	3.6
85.06519	1.7
91.05473	14.3
93.07029	25.8
95.04932	4.8
95.07999	2.0
95.08585	29.5
97.06501	9.8
97.10136	2.0
98.02934	1.1
103.05460	2.7
105.07011	39.2
107.04933	1.1
107.08575	27.3
109.06497	6.6
109.10139	21.5
111.08082	5.5
115.05402	1.8
117.07005	6.3
118.06525	1.4
119.08566	30.1
121.06467	3.3
121.07889	1.1
121.10130	24.2
123.08046	5.7
123.11690	6.3
125.09602	5.3
129.06984	2.6
131.04886	1.4
131.08539	16.5
133.10098	18.1
135.08022	3.5
135.11673	14.8
137.05968	1.4
137.09572	3.3
141.06998	1.1
143.08591	1.3
144.09265	3.8
145.10091	32.8
147.11676	14.5
149.09567	3.4
149.13208	4.0
151.11197	2.1
157.06390	1.4
157.10056	2.7
159.02916	1.0
159.04352	1.6
159.08032	2.7
159.11667	30.6
161.13239	22.6
162.13591	1.2
163.11163	8.8
163.14804	2.7
171.11635	1.3
173.09607	1.1
173.13226	11.0
173.31467	1.1
174.06696	1.6
175.14745	6.7
176.14320	2.5
177.12714	2.8
189.09227	1.7
191.14255	1.7
191.17912	4.7
201.08961	2.1
201.12657	1.4
201.16371	36.1
203.14294	8.8
218.96602	1.1
219.06308	1.7
219.08138	2.1
219.10126	4.0
219.13841	3.7
219.17403	100.0
220.16933	13.6
229.80551	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1336
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
53.16627	0.4
55.01863	1.2
55.05505	1.0
56.96567	2.1
57.03409	0.5
57.56513	0.4
60.04516	100.0
61.02912	0.7
65.03954	0.5
67.05495	1.0
69.03421	1.2
69.07050	2.2
69.83205	1.5
69.83644	1.4
70.02950	0.8
70.06579	0.5
71.01348	2.2
72.04519	0.7
72.08147	1.8
75.04475	1.8
79.05486	1.2
79.90180	0.4
81.07043	2.6
81.42348	0.4
83.04952	0.6
84.04502	0.8
84.08136	0.6
85.02872	1.1
86.06062	1.5
86.09693	70.1
87.04456	2.1
87.05580	3.7
90.05508	0.5
91.05480	1.4
93.07047	1.4
94.61027	0.4
95.08601	0.8
97.02869	0.6
98.06036	1.6
98.20652	0.6
98.97572	7.5
103.03939	2.7
105.07015	1.2
107.04973	0.5
107.08574	1.9
109.06465	0.5
111.04437	0.5
116.98600	6.1
119.08543	3.1
121.10139	2.6
121.34148	0.5
123.08067	0.7
124.07516	0.4
126.09135	0.8
128.10674	2.8
131.03415	0.8
131.04942	0.4
131.08554	1.3
132.10185	50.2
133.10081	2.9
134.32318	0.4
134.99646	4.6
135.11676	0.9
140.10715	1.2
145.06500	0.5
145.10088	1.0
147.08086	0.7
147.11702	1.0
153.00635	0.6
155.11630	0.5
157.07574	0.9
158.01183	0.5
158.11739	6.7
158.99658	1.0
159.02887	4.8
161.09604	0.7
161.13216	2.8
170.10941	1.0
173.05995	0.8
173.12839	26.9
175.08482	0.5
175.14847	0.7
177.00710	1.7
187.02362	0.7
187.11191	0.8
201.12334	4.5
203.14284	19.5
204.40334	0.5
219.06548	0.6
219.13544	8.4
219.17406	63.4
220.09668	0.6
220.15564	0.5
220.17751	1.2
237.02917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1012
Annotation	Bitalin A
Peak:m/z	Relative Intensity
53.03920	0.8
55.05483	2.5
57.03409	1.3
57.07046	0.9
65.57697	0.6
67.05486	4.7
69.07024	1.9
70.99669	1.3
71.00066	1.5
71.04963	1.3
72.10356	0.6
77.03896	0.9
77.73308	0.6
79.05461	2.8
81.07043	8.1
83.04945	1.1
83.08619	0.8
85.06512	0.9
91.04926	1.1
91.05463	14.7
93.07025	6.6
95.04922	1.1
95.08578	4.2
97.06508	0.8
103.05444	4.4
103.54379	0.7
105.07008	10.2
107.08569	5.5
109.06466	1.7
109.10143	4.0
111.08027	1.1
115.05430	12.3
116.06248	3.3
117.06985	5.0
119.04884	0.9
119.07847	0.8
119.08559	7.2
121.06465	1.5
121.10125	5.3
123.08065	1.2
125.05969	0.9
125.09566	0.9
127.39874	0.6
128.06189	11.3
129.06981	44.1
130.04156	0.9
130.07828	3.5
130.91385	0.6
131.04900	9.6
131.08540	44.1
133.06438	1.9
133.10104	7.4
135.07977	1.7
135.11674	2.3
137.05919	4.3
141.06966	39.5
142.07439	0.9
143.04880	2.0
143.08504	2.8
144.05672	7.1
144.09319	0.8
145.06450	9.4
145.10092	8.8
146.07227	5.7
147.04312	1.0
147.11655	2.3
148.05086	2.2
149.05983	0.9
149.09576	1.1
149.13208	0.9
153.06880	0.9
155.06013	0.7
156.05630	0.7
157.06470	23.0
157.10059	1.1
158.07246	25.7
159.04401	3.8
159.08025	26.9
159.11681	8.0
160.05196	6.4
161.05956	1.4
161.09598	4.5
161.13225	6.2
162.06744	0.9
163.07520	3.2
163.11168	0.8
163.14827	0.8
168.05713	1.2
169.06445	16.4
169.07646	1.1
170.07256	6.5
171.04340	1.1
171.07974	1.0
172.08434	0.7
173.05980	5.2
173.09555	2.1
173.13237	3.5
174.06734	77.8
175.07501	12.3
175.14745	1.9
177.12785	0.8
183.07954	0.8
183.11731	0.7
185.05925	1.6
186.06741	18.0
187.07379	1.3
188.08275	4.0
189.09068	99.0
190.09467	2.1
191.06995	2.2
191.10645	7.2
191.17834	0.8
201.09067	42.6
201.16318	6.2
202.09444	1.2
203.14264	7.8
219.10126	100.0
219.13736	4.1
219.17383	33.6
220.10458	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33701	0.9
53.03930	2.0
55.01853	1.2
55.05505	6.3
57.03416	1.7
57.07064	2.2
65.03931	1.7
67.05496	9.5
69.03397	1.4
69.07053	6.9
71.04979	6.6
71.49733	2.5
79.05475	10.2
81.03384	1.5
81.07040	17.9
83.04950	2.0
83.08585	1.9
85.06516	1.6
91.05452	19.1
93.07018	15.1
95.04938	3.4
95.08587	15.8
97.06489	4.8
103.05427	3.5
105.06341	1.7
105.07008	26.1
107.04929	2.3
107.08566	12.9
109.06486	4.4
109.10128	9.2
111.08038	2.2
115.05439	7.2
116.06203	2.3
117.06985	8.0
119.08556	20.0
120.08063	2.3
121.06487	2.4
121.10116	15.0
123.08040	4.2
123.11670	1.8
125.09624	2.8
127.07481	1.2
128.06233	6.8
129.06975	21.2
130.07745	2.7
131.04895	4.9
131.08540	32.8
132.08963	0.9
133.06433	2.0
133.09169	1.7
133.10104	22.6
135.07986	3.9
135.11639	6.0
137.05884	3.1
137.09564	2.2
141.06972	19.3
143.04829	1.3
143.08530	3.1
144.05670	2.4
144.09267	2.1
145.06468	6.3
145.10083	16.8
146.07243	2.7
147.11671	8.2
149.09569	1.9
149.13196	1.8
157.06447	10.1
157.10114	2.5
158.07233	11.4
159.04332	2.3
159.08038	15.3
159.11667	21.9
160.05200	3.4
161.05907	1.8
161.09558	3.2
161.13239	10.0
163.07484	1.9
163.11179	2.9
169.06419	8.3
170.07207	3.6
170.10951	1.1
171.78249	1.1
173.05923	5.6
173.09561	2.8
173.13197	6.2
174.06723	39.1
175.07486	6.6
175.14838	5.1
177.05363	1.7
177.09100	1.1
177.12749	2.3
177.16440	1.1
183.11621	1.5
186.06706	10.3
187.07520	1.5
188.08276	2.7
188.11926	1.4
189.09077	46.5
191.10619	3.3
191.14238	2.0
191.17850	2.1
201.07396	1.9
201.09065	15.6
201.12646	3.1
201.16364	15.5
203.14293	22.3
219.06488	5.0
219.10133	37.8
219.13756	7.3
219.17384	100.0
220.10359	1.0
220.17697	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1948
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
55.01857	2.4
55.05276	2.7
55.05506	36.5
57.07043	2.6
59.04987	3.3
61.80743	2.2
67.05498	24.7
69.07053	17.8
71.17253	6.2
79.05479	11.5
81.07040	29.2
83.04965	43.2
83.05713	2.5
83.08591	4.9
83.74226	2.4
85.06533	3.4
85.19987	2.3
87.04454	5.8
89.02370	3.6
89.06013	6.4
91.05454	18.6
92.05737	2.4
93.07041	22.2
95.07988	4.4
95.08582	44.8
97.10143	4.9
101.06004	16.1
105.07015	46.4
107.08569	33.5
107.89049	2.1
109.10142	46.5
111.04427	47.1
113.05968	8.2
115.05456	5.1
117.06966	4.2
119.08561	49.7
121.10120	30.6
123.11689	16.5
127.07513	6.9
129.05458	20.1
131.08549	6.7
133.10115	41.3
135.11664	10.1
143.08490	2.9
145.10046	2.5
147.10580	4.1
147.11665	47.9
155.07008	66.4
159.11694	5.3
161.13229	44.4
173.05917	2.6
173.08073	37.3
173.13312	4.0
174.03081	17.5
174.08313	2.8
175.14822	18.7
189.16321	5.3
199.09567	3.0
202.02583	74.7
203.02898	3.8
217.04924	85.3
217.08475	3.8
217.10620	36.5
217.12395	3.6
217.16147	5.0
217.19482	100.0
218.05247	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	219.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86414	10.7
63.85635	10.5
66.06213	11.1
70.49320	42.9
72.08134	45.6
82.55489	9.9
84.08123	47.7
98.97557	22.5
99.63776	10.9
101.00856	14.1
119.01914	23.7
121.01598	15.7
130.08636	19.0
203.14333	27.5
214.66670	11.0
219.17291	100.0
220.24303	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	219.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03125	0.9
55.01852	3.2
55.05490	2.7
59.04979	1.2
61.02924	15.4
63.60953	1.0
67.05483	2.1
69.03406	0.8
69.07047	1.9
70.95085	2.1
71.01348	26.2
75.04472	35.5
79.05482	1.8
81.07035	3.1
84.34996	0.9
86.09706	1.1
87.04457	13.3
89.02381	4.7
91.05463	3.6
93.07019	2.7
95.04940	1.3
95.08572	1.0
98.21311	1.1
98.97553	2.1
101.06019	1.3
103.03931	44.4
105.06999	3.2
107.04912	1.1
107.08555	2.7
109.06477	0.9
111.04432	1.0
115.05413	1.1
116.98599	1.6
117.07017	1.4
119.08566	6.1
121.10139	5.8
123.08081	1.4
131.03381	7.9
131.08498	1.2
133.10112	5.4
135.08023	1.1
145.10101	1.9
147.11682	1.6
149.02255	0.9
159.02872	69.5
159.11716	1.7
161.04340	0.9
161.09579	2.9
161.13232	3.2
173.05939	1.3
173.09550	2.0
173.13307	1.1
175.14786	1.9
177.05501	1.6
177.09099	0.9
187.02422	5.7
187.11142	2.5
188.12019	2.0
201.05626	1.2
203.14301	30.5
219.04893	6.0
219.17416	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1584
Annotation	iso-Debromo-laurinterol
Peak:m/z	Relative Intensity
53.03921	0.6
53.06564	0.4
55.01847	0.7
55.05503	7.8
65.03938	0.5
66.97169	0.5
67.05189	0.7
67.05495	8.0
69.03391	0.8
69.07055	3.5
70.82974	0.5
70.83335	1.5
71.93324	0.5
79.05473	1.9
81.07041	4.4
81.80326	0.5
83.04978	3.6
83.08600	1.8
89.06004	0.6
91.05463	4.5
93.07044	3.5
95.04954	3.4
95.08591	5.8
97.06525	0.7
101.05994	1.4
105.07017	7.7
107.04955	2.3
107.08587	4.1
109.06500	1.4
109.10146	13.7
111.04420	4.0
111.08087	0.5
113.05965	0.6
115.05450	0.7
117.06978	1.9
119.08562	8.0
121.06491	2.2
121.10164	2.1
123.08058	1.0
127.07554	0.8
128.06219	0.5
129.05441	1.1
129.06984	1.5
131.08554	3.3
133.06505	2.1
133.10118	6.5
135.08035	6.2
135.11609	0.5
142.07732	1.4
143.08556	2.9
145.10106	1.7
146.07280	0.6
147.06847	0.9
147.08029	15.8
147.11626	2.1
148.08336	0.5
149.09598	2.4
155.07007	6.0
155.08244	0.7
156.09361	0.7
157.10120	3.1
159.08008	0.7
159.11644	2.0
160.08820	0.7
161.09607	9.7
161.13312	0.7
162.85674	0.5
169.10143	0.5
170.10930	0.6
171.11684	1.0
173.08075	3.8
173.09583	1.1
173.13232	1.2
174.10388	0.6
175.11169	3.7
175.14742	1.2
178.51315	0.4
187.11185	1.1
189.12627	0.8
189.16309	0.7
199.14757	1.6
202.02528	3.7
202.13493	2.7
217.05028	3.4
217.10693	2.4
217.15851	100.0
218.16248	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	217.1948
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
53.03931	2.6
55.01863	2.7
55.05504	45.3
57.07063	3.5
59.04985	3.8
63.04618	1.2
67.05497	23.8
69.03407	4.5
69.07058	21.2
69.99207	6.8
73.02918	2.0
79.05481	15.0
81.07046	34.3
83.04971	55.7
83.08607	12.3
85.06519	4.5
87.04434	6.0
89.02396	7.5
89.06021	9.6
91.05473	16.3
93.07029	19.5
95.04922	1.7
95.08003	2.8
95.08593	46.6
97.10159	2.7
98.20707	1.5
98.98418	1.3
99.04444	4.1
101.06002	20.1
105.07018	46.4
107.08583	34.6
107.09185	0.7
109.10144	55.7
111.03658	3.0
111.04429	59.5
111.07996	1.8
112.04773	1.5
113.05995	8.6
115.05436	2.7
117.07004	4.1
118.04167	1.7
119.08560	43.8
121.10128	29.9
123.08014	1.4
123.11691	17.8
125.09646	1.2
127.07548	13.5
128.06206	2.2
129.05469	28.9
129.06949	3.0
131.04897	1.6
131.08527	4.2
133.06509	1.8
133.10110	33.0
135.11676	11.7
137.05966	3.4
137.13200	1.8
143.07021	2.7
143.08522	2.8
145.06575	1.3
145.10072	4.1
147.06496	2.0
147.08020	3.0
147.10564	2.6
147.11667	36.9
149.13213	4.4
155.07008	96.3
156.07324	3.1
157.10100	3.7
159.11624	6.0
161.05988	3.4
161.09576	2.2
161.13242	51.4
171.11681	2.9
173.05881	2.3
173.08076	58.1
173.13179	2.0
174.03075	8.7
174.08408	2.4
175.14816	12.6
189.05399	2.2
189.16347	6.6
199.09724	7.5
199.14825	2.8
202.02576	44.4
203.02959	2.7
217.04953	52.5
217.08603	3.6
217.10641	41.9
217.12579	3.6
217.15886	12.6
217.19487	100.0
218.05254	3.5
218.11154	1.5
218.19826	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.01854	7.1
55.05500	46.7
56.96560	7.9
57.03423	2.8
59.04975	5.3
60.04499	3.2
60.05630	5.2
61.02919	8.5
67.05496	6.1
68.05023	7.5
69.03416	6.9
69.07044	1.4
70.06580	66.5
71.04986	6.5
71.70100	1.8
72.04478	2.1
72.08143	64.1
73.02893	9.4
74.02417	4.2
77.00918	1.6
79.05454	2.6
81.03391	2.5
83.04967	51.4
83.08595	4.1
84.04498	6.1
84.08121	9.4
85.02904	7.0
85.06523	5.9
86.06053	40.5
87.04438	8.1
88.03954	1.9
89.02364	6.4
89.06014	10.0
91.05442	2.0
95.06058	1.6
96.04473	31.2
97.02832	2.3
97.07597	1.3
98.05989	1.8
98.97542	4.5
99.04440	4.9
100.03944	4.7
101.00858	11.7
101.02358	5.3
101.06001	22.2
103.02441	8.4
105.07042	2.3
108.23849	1.5
109.02854	1.4
110.06094	1.2
110.09636	8.2
111.04424	74.2
111.08036	2.1
112.07600	5.7
112.08686	6.5
113.06000	11.9
113.07108	4.2
114.09134	3.1
115.02511	1.4
115.05431	2.6
115.08685	10.5
116.07059	17.5
116.98580	4.7
118.04117	1.8
119.01902	76.2
120.02016	3.2
120.08158	2.3
121.01614	2.2
121.03486	6.4
125.05951	1.6
126.09132	1.6
127.02417	2.2
127.07540	12.8
128.98596	1.3
129.01782	1.4
129.04559	1.8
129.05457	24.4
129.10275	1.9
130.05019	2.0
130.08606	2.0
131.01848	9.8
131.08574	1.5
133.03439	4.3
134.99649	1.9
137.02930	27.8
137.05922	3.8
137.10722	29.8
138.09117	47.1
142.03511	1.8
145.03438	48.3
146.03551	3.8
147.01392	4.1
147.06453	1.8
149.02898	3.9
154.08626	4.5
155.01862	3.0
155.07005	100.0
155.11778	9.5
156.07419	2.1
157.03374	1.9
157.09720	8.5
158.08095	22.3
158.09239	5.0
161.02983	3.1
163.04494	26.3
164.04608	2.0
168.05035	2.8
171.01389	4.1
171.05135	1.7
171.11693	1.7
171.13960	1.3
173.03017	7.6
173.08075	60.6
174.03116	11.6
175.00845	1.5
175.04567	2.0
175.11952	6.5
185.02888	1.6
189.02388	17.4
189.03922	1.4
190.04967	2.7
191.03967	3.6
191.44821	1.3
193.00168	3.5
193.01801	1.7
198.10086	1.4
199.09534	5.6
199.10899	5.7
200.08830	2.6
200.10315	6.1
202.02576	42.5
203.03973	1.4
205.01973	1.9
207.03441	8.6
217.01877	3.8
217.04955	48.0
217.06841	4.7
217.08551	3.2
217.10687	49.8
217.12923	35.4
217.15642	3.5
218.05138	1.9
235.02922	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	217.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.01854	7.1
55.05500	46.7
56.96560	7.9
57.03423	2.8
59.04975	5.3
60.04499	3.2
60.05630	5.2
61.02919	8.5
67.05496	6.1
68.05023	7.5
69.03416	6.9
69.07044	1.4
70.06580	66.5
71.04986	6.5
71.70100	1.8
72.04478	2.1
72.08143	64.1
73.02893	9.4
74.02417	4.2
77.00918	1.6
79.05454	2.6
81.03391	2.5
83.04967	51.4
83.08595	4.1
84.04498	6.1
84.08121	9.4
85.02904	7.0
85.06523	5.9
86.06053	40.5
87.04438	8.1
88.03954	1.9
89.02364	6.4
89.06014	10.0
91.05442	2.0
95.06058	1.6
96.04473	31.2
97.02832	2.3
97.07597	1.3
98.05989	1.8
98.97542	4.5
99.04440	4.9
100.03944	4.7
101.00858	11.7
101.02358	5.3
101.06001	22.2
103.02441	8.4
105.07042	2.3
108.23849	1.5
109.02854	1.4
110.06094	1.2
110.09636	8.2
111.04424	74.2
111.08036	2.1
112.07600	5.7
112.08686	6.5
113.06000	11.9
113.07108	4.2
114.09134	3.1
115.02511	1.4
115.05431	2.6
115.08685	10.5
116.07059	17.5
116.98580	4.7
118.04117	1.8
119.01902	76.2
120.02016	3.2
120.08158	2.3
121.01614	2.2
121.03486	6.4
125.05951	1.6
126.09132	1.6
127.02417	2.2
127.07540	12.8
128.98596	1.3
129.01782	1.4
129.04559	1.8
129.05457	24.4
129.10275	1.9
130.05019	2.0
130.08606	2.0
131.01848	9.8
131.08574	1.5
133.03439	4.3
134.99649	1.9
137.02930	27.8
137.05922	3.8
137.10722	29.8
138.09117	47.1
142.03511	1.8
145.03438	48.3
146.03551	3.8
147.01392	4.1
147.06453	1.8
149.02898	3.9
154.08626	4.5
155.01862	3.0
155.07005	100.0
155.11778	9.5
156.07419	2.1
157.03374	1.9
157.09720	8.5
158.08095	22.3
158.09239	5.0
161.02983	3.1
163.04494	26.3
164.04608	2.0
168.05035	2.8
171.01389	4.1
171.05135	1.7
171.11693	1.7
171.13960	1.3
173.03017	7.6
173.08075	60.6
174.03116	11.6
175.00845	1.5
175.04567	2.0
175.11952	6.5
185.02888	1.6
189.02388	17.4
189.03922	1.4
190.04967	2.7
191.03967	3.6
191.44821	1.3
193.00168	3.5
193.01801	1.7
198.10086	1.4
199.09534	5.6
199.10899	5.7
200.08830	2.6
200.10315	6.1
202.02576	42.5
203.03973	1.4
205.01973	1.9
207.03441	8.6
217.01877	3.8
217.04955	48.0
217.06841	4.7
217.08551	3.2
217.10687	49.8
217.12923	35.4
217.15642	3.5
218.05138	1.9
235.02922	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	217.0857
Annotation	CHEBI:70632
Peak:m/z	Relative Intensity
53.03954	0.4
55.01872	0.8
55.05504	8.8
55.05754	0.6
59.05003	1.0
59.97554	0.3
67.05502	2.3
67.95056	0.4
68.99793	1.1
69.03431	1.0
69.07054	3.8
69.07370	0.3
70.89626	0.5
71.05017	0.5
73.02920	0.7
78.29110	0.3
78.29885	0.3
79.05493	1.3
81.07069	1.9
82.60042	0.4
83.04967	11.9
83.08628	1.0
85.06544	0.8
87.04478	1.5
89.02403	1.0
89.06005	2.0
91.05475	2.8
93.07033	2.4
95.04980	0.8
95.08611	2.8
97.06541	0.5
99.04456	1.0
101.05987	4.8
103.05482	0.6
105.07030	5.6
107.08596	2.7
109.06506	1.1
109.10140	2.0
111.03654	0.8
111.04424	14.3
111.08040	0.8
113.06001	1.9
115.05445	2.8
117.07003	2.7
119.08559	11.1
121.06515	0.7
121.10112	2.2
123.08046	0.6
127.00971	0.4
127.07516	1.9
128.06213	5.7
128.07074	0.6
129.05466	4.6
129.06976	4.1
130.07751	0.8
131.04916	2.2
131.08551	2.8
133.06454	3.4
133.10115	6.5
135.08058	0.6
135.11668	0.8
137.05936	0.7
141.06973	0.5
142.07761	0.8
143.08521	2.7
144.09328	0.4
145.06465	2.2
145.10106	2.7
146.03668	0.5
146.07249	1.3
147.04468	0.4
147.08026	1.7
147.11656	1.9
148.08807	0.7
149.09644	0.7
155.07013	19.9
156.05673	1.4
156.09341	0.9
157.06456	0.8
157.10089	3.7
158.10912	0.5
159.04417	0.8
159.11693	2.4
160.08849	0.6
161.05948	1.2
161.09584	4.2
161.13206	0.5
169.10033	0.5
171.08009	0.8
171.11658	1.7
173.05865	2.2
173.08086	10.5
173.09599	0.6
173.13211	3.4
174.03139	1.9
174.06741	12.1
175.11156	1.6
175.14754	2.1
187.14801	1.1
189.09081	100.0
189.16380	2.0
190.09415	2.3
199.09625	1.6
199.11217	0.4
199.14790	2.7
202.02580	8.9
217.05043	13.0
217.08545	34.4
217.10663	8.6
217.15829	17.2
218.09010	0.4
229.59407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.2
70.07439	0.9
70.22971	0.8
71.46809	2.0
78.83796	0.9
82.99822	0.9
83.04969	7.1
85.01400	2.1
87.04406	0.9
89.06021	2.6
99.14809	1.0
101.00867	18.0
101.06007	3.8
102.07307	0.9
103.02435	14.1
111.04429	11.5
113.00880	1.7
119.01908	100.0
120.02007	1.8
121.03476	10.9
127.02406	2.1
127.07532	1.9
129.00375	0.8
129.05475	2.7
131.01891	10.3
137.02950	40.6
138.03014	1.2
142.03479	2.8
145.03445	77.4
146.03503	2.4
147.01376	8.4
148.01149	0.9
149.02934	4.4
155.07014	17.2
161.02911	1.5
163.04512	47.9
164.04761	1.3
165.81331	1.0
168.05054	4.1
170.99017	1.5
171.01418	4.3
173.02898	5.0
173.08084	10.4
174.03114	2.5
175.00874	1.5
189.00012	1.4
189.00468	1.4
189.02431	28.1
190.02377	1.3
190.98816	1.1
191.04027	4.5
193.01923	3.0
194.00648	1.5
199.00826	1.7
202.02557	6.8
207.03482	16.2
212.04007	2.8
217.01851	6.2
217.04926	10.8
217.10719	8.1
233.66562	1.0
235.03011	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	217.019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	14.7
56.96554	1.6
58.99832	1.9
67.05494	1.5
69.11512	1.3
71.60669	2.0
73.02888	1.5
76.83932	1.4
77.00900	1.6
82.99825	1.5
83.04969	26.9
83.08599	1.7
85.01376	2.1
85.06504	1.9
87.04468	2.2
89.02397	1.5
89.06013	3.6
98.20377	1.3
98.97618	1.5
101.00848	19.0
101.06009	10.4
103.02434	17.6
111.04424	34.6
113.05984	3.0
119.01897	100.0
120.01980	2.0
121.03466	11.6
127.02378	3.8
127.07530	5.8
129.05453	10.6
131.01884	14.0
131.76738	1.4
137.02934	39.3
142.03476	3.0
145.03439	74.9
146.03525	1.7
147.01364	6.6
149.02982	6.8
155.01833	3.5
155.07004	42.3
158.99147	1.5
163.04491	45.4
168.05002	3.4
171.01376	3.1
173.02945	11.0
173.08051	26.0
174.03094	3.6
189.02434	21.8
191.03885	3.3
193.01912	2.4
196.04457	1.6
199.09662	1.7
202.02617	15.2
207.03445	10.7
212.03955	1.6
217.01917	5.4
217.04926	15.5
217.08858	2.6
217.10724	22.9
235.02725	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	215.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	10.6
55.05497	37.4
57.03438	6.2
57.07034	7.0
57.23013	3.4
65.03914	3.5
67.05499	55.3
69.03411	11.1
69.07050	24.1
69.54389	5.5
69.54786	31.3
71.04979	11.3
74.09705	8.8
79.05488	32.3
81.06606	6.5
81.07050	84.2
83.04970	5.9
83.08598	21.1
84.04462	4.0
85.06528	17.0
91.05470	62.6
92.76743	3.7
93.07028	38.4
95.04961	18.8
95.08595	94.5
97.06514	15.1
97.10168	9.8
99.08050	5.7
103.05432	9.0
105.07018	58.2
107.08601	24.4
109.06522	6.3
109.10155	13.6
115.05427	16.6
116.98528	5.4
117.07022	27.7
119.04923	6.9
119.08564	58.8
121.06486	15.1
121.10120	18.6
123.08031	9.4
128.06216	8.0
129.06993	23.2
130.07794	5.7
131.04921	9.0
131.08546	61.7
132.95834	12.9
133.06439	10.1
133.10101	48.0
135.08031	3.9
135.11636	21.5
137.13246	13.5
141.06976	50.1
142.07719	7.8
143.08583	18.1
144.05672	15.3
144.09290	11.2
145.06467	17.6
145.10094	61.2
147.11609	7.7
150.96886	30.3
153.07005	6.2
154.07718	20.3
155.04872	8.0
155.08502	20.3
156.09315	7.5
157.06544	7.5
157.10080	23.7
158.07254	7.9
159.04393	7.0
159.08051	31.9
159.11636	50.7
161.02310	7.3
161.13248	46.6
167.08531	13.1
168.05693	12.8
169.06422	24.1
169.07735	4.1
169.10095	41.9
171.08002	4.5
171.11656	11.1
172.05145	8.5
172.08788	13.8
173.02272	10.3
173.05957	7.9
173.09610	33.1
173.13260	22.8
179.08525	5.9
179.14296	23.0
182.07213	6.0
182.10910	8.7
185.09541	4.8
186.06770	10.2
187.03857	5.2
187.07481	21.7
187.11137	35.3
187.14822	21.7
191.97145	9.7
197.05913	9.3
197.09627	24.1
197.13222	19.0
197.15247	3.6
200.04648	16.9
200.11845	4.4
209.98108	4.8
215.07028	77.7
215.10631	100.0
215.14256	96.2
215.17863	70.7
216.10760	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	215.164
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
52.69632	4.3
53.03944	5.4
53.55392	3.8
55.05504	30.1
57.07098	4.5
67.05497	28.3
69.07057	23.3
69.50593	41.1
71.04974	7.9
74.09705	4.5
74.35851	4.0
78.48804	4.1
79.05473	25.1
81.07047	57.8
83.04982	11.7
83.08597	18.5
85.06519	15.7
91.05460	39.4
93.07034	20.6
95.04955	12.6
95.08595	77.2
97.06516	14.5
97.10160	8.1
98.97572	5.8
98.98440	8.3
102.22491	4.7
105.07021	37.2
107.08578	14.2
109.10146	10.5
111.04491	4.8
113.27315	4.4
115.05441	13.9
117.07014	12.2
119.04865	5.3
119.08556	34.3
121.10155	10.4
123.08051	6.6
128.06187	6.8
128.14320	11.7
129.06960	17.8
130.07765	5.4
131.04875	10.7
131.08554	31.1
132.95839	10.8
133.02829	7.2
133.10112	20.3
135.11699	12.3
137.05969	5.9
137.13235	7.0
141.06978	41.0
142.07837	5.1
143.08575	8.2
144.05687	10.9
145.06476	12.9
145.10077	21.0
150.96901	23.7
153.06856	5.9
154.07828	20.9
155.04839	5.4
155.08485	7.3
156.09355	6.5
157.06496	7.1
157.10080	11.7
158.07285	6.8
159.04317	8.2
159.08014	19.0
159.11676	23.6
161.02371	21.3
161.13245	44.7
167.08647	5.6
168.05714	9.2
169.06403	28.2
169.10130	34.3
171.07979	5.6
172.08878	6.2
173.02316	53.7
173.05940	16.1
173.09581	12.5
173.13264	7.5
179.08478	6.4
179.14291	16.8
185.05962	6.3
185.09552	11.4
186.03226	5.2
186.06769	17.3
187.03918	12.0
187.07504	28.5
187.11177	11.3
187.14734	6.2
191.97192	5.2
197.05898	10.4
197.09579	27.5
197.15361	5.9
200.04684	12.7
200.08293	4.8
215.07040	78.0
215.10609	100.0
215.14093	32.4
215.17719	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	215.1638
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
53.03926	3.3
55.01851	4.6
55.05503	22.7
57.03415	3.7
57.07046	3.3
67.05489	23.0
69.07062	14.4
71.04967	10.0
71.71037	3.4
74.09698	3.4
79.05482	18.3
80.05834	2.4
81.07043	44.0
83.04948	13.0
83.08590	12.7
85.06513	8.8
89.71954	2.5
91.05460	21.6
93.07028	23.0
95.04926	5.9
95.08588	57.4
97.06495	10.1
97.10144	4.8
99.04484	2.7
99.08054	4.9
103.05360	2.7
105.07001	26.7
107.04942	2.2
107.08562	11.6
109.06512	2.6
109.10149	6.9
111.08073	3.3
115.05436	8.8
117.07021	13.8
119.08554	28.0
121.10124	9.5
123.08035	5.9
123.65691	2.3
128.06212	4.1
129.06973	8.4
130.07755	4.6
131.04880	7.5
131.08556	22.1
133.06436	6.5
133.10066	18.0
135.11636	9.4
137.13205	8.6
139.01474	2.5
141.06943	20.4
142.07759	5.1
143.08469	3.9
144.05649	8.6
144.09290	3.2
145.06479	16.2
145.10100	21.6
147.11639	3.7
150.96843	9.8
153.06970	4.1
154.07756	13.3
155.04872	3.3
155.08461	3.3
157.06407	4.1
157.10091	7.6
158.07239	10.7
159.04402	4.5
159.08018	30.2
159.11674	18.6
161.02281	3.8
161.13242	35.2
167.08472	2.6
168.05630	3.8
169.06458	16.6
169.10086	16.0
171.04352	2.7
171.08018	2.8
171.11650	4.7
172.05161	4.6
172.08740	6.0
173.02322	6.6
173.05945	10.6
173.09602	9.6
173.13248	5.4
179.08516	4.9
179.14265	9.6
181.06465	2.3
183.04367	4.1
185.05957	4.4
186.06686	7.6
187.07458	14.3
187.11086	8.7
187.14700	4.4
197.05960	4.7
197.09619	13.1
197.13261	5.3
197.15257	2.5
200.04625	7.2
200.08308	5.7
215.07092	25.6
215.10635	100.0
215.14133	25.3
215.17819	17.3
216.10944	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	215.1427
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
55.01840	1.3
55.05491	4.1
56.43860	0.9
57.03424	1.9
58.44198	0.8
66.05637	0.9
67.05482	3.7
69.03416	1.6
69.07059	2.1
71.04974	2.4
71.69841	1.1
71.70280	1.2
74.09708	2.1
79.05487	4.5
81.07045	5.5
83.04961	2.2
83.08588	2.5
89.03918	1.3
89.71056	0.9
90.94808	1.0
91.05476	11.2
93.07035	6.7
95.04939	3.6
95.08604	7.1
98.98470	0.8
103.05440	2.3
105.03364	2.8
105.07012	7.9
107.08560	4.7
109.06487	2.5
115.05428	6.5
116.06247	1.7
117.07015	7.1
119.04870	1.2
119.08582	8.6
121.06481	2.9
128.06200	3.7
129.06995	8.7
130.07848	2.1
131.04904	3.3
131.08551	22.5
132.95801	2.8
133.02818	5.0
133.06696	1.1
133.10127	4.7
135.08035	1.7
141.06972	24.9
142.07767	11.8
143.08537	14.3
144.05688	2.6
144.09283	2.2
145.06483	4.3
145.10110	18.5
146.75931	1.0
149.96231	0.9
150.96884	7.8
153.06999	2.2
154.07806	5.5
155.08583	6.5
156.09341	7.3
157.06511	1.5
157.10117	38.5
158.07251	3.0
158.10907	9.9
159.04390	5.6
159.08064	12.2
159.11676	8.6
160.08813	3.0
161.02316	17.2
167.08542	8.8
168.05711	3.1
169.06447	10.1
169.10141	14.2
170.10753	1.1
171.07965	1.1
171.11676	8.8
172.05167	1.1
172.08774	1.8
172.12450	8.9
173.02328	33.2
173.05962	2.3
173.09605	12.5
173.13251	27.3
174.02614	1.4
174.13437	1.4
179.08595	1.5
182.10901	17.7
185.05898	1.4
185.09567	6.2
186.03105	3.7
186.06723	4.1
186.10393	2.6
187.03862	1.7
187.07533	6.4
187.11137	5.6
187.14821	7.9
191.97102	2.0
197.06026	4.7
197.09628	7.8
197.13246	30.6
200.04642	4.7
200.11917	7.8
209.98228	2.3
215.03754	1.3
215.07053	36.8
215.10785	26.2
215.14291	100.0
215.17577	13.0
216.14604	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57994	1.0
53.03935	2.8
55.01853	3.2
55.05236	2.4
55.05502	46.7
56.05012	1.2
57.03421	3.3
57.07058	2.7
60.29715	1.0
65.03917	1.1
67.05492	30.1
69.03406	2.9
69.07057	47.4
70.06587	2.1
70.07404	1.3
71.04980	5.8
71.08632	1.1
71.37185	1.0
71.59221	1.0
71.59563	1.4
73.06563	2.0
79.05482	15.6
81.07043	81.9
82.07375	2.3
82.39705	1.0
83.04977	6.9
83.08605	37.3
84.04498	1.0
84.08121	2.0
84.08944	1.1
85.02847	1.2
85.06536	6.6
91.05457	17.7
93.07029	20.1
94.07325	1.1
95.04950	3.4
95.08592	100.0
96.08941	1.9
97.06516	12.5
97.10149	11.9
99.08085	4.2
101.05985	2.0
105.07014	22.6
107.08556	7.9
108.08913	1.4
109.06499	4.7
109.10135	7.5
111.08067	4.6
112.10015	1.3
113.05999	1.3
113.09630	1.6
115.05447	1.3
115.07571	2.8
115.16047	1.0
117.06997	3.6
119.08564	30.4
121.10130	7.4
122.06023	4.4
122.10422	1.8
123.08049	8.5
123.11709	1.9
127.07545	2.7
131.04904	1.4
131.08513	5.2
133.10109	16.8
135.11671	11.2
136.07509	1.8
137.09608	5.1
137.13229	19.3
137.78235	1.1
141.00005	1.2
141.06981	3.2
141.09059	2.0
143.08548	1.9
144.08949	1.5
145.06502	1.9
145.10133	3.1
149.13219	1.6
150.05440	1.2
150.96890	5.9
154.08643	10.0
157.10124	2.8
158.10457	1.8
159.08051	2.4
159.11655	3.0
161.13232	42.5
164.07098	4.3
168.10275	2.0
169.06519	2.5
169.10129	2.8
172.08754	1.3
179.14282	10.7
182.08127	1.7
187.07570	3.0
187.11081	3.1
191.97195	1.2
196.09706	1.5
196.16939	13.8
197.05920	1.7
197.09700	1.9
197.13281	1.4
200.04724	2.2
214.05943	1.4
214.08751	1.9
214.10799	2.5
214.18037	52.3
215.07094	4.5
215.10739	3.9
215.14354	4.3
215.17975	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1844
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
50.72147	1.2
52.83533	1.3
53.03942	2.6
55.01863	9.9
55.05505	39.3
56.96541	4.0
57.03421	3.5
57.07053	4.8
59.04967	1.4
62.00632	1.4
67.05499	20.8
69.03415	7.5
69.07059	29.5
69.82309	4.1
69.82722	5.1
70.06586	2.1
71.04984	26.2
72.08108	1.3
78.62381	1.3
79.05473	16.7
80.26594	1.5
81.03415	3.0
81.07047	35.5
83.04964	4.8
83.08607	29.4
85.02889	1.8
85.06525	9.3
86.09668	1.5
87.04468	2.5
91.05456	9.3
93.07031	28.7
95.04945	3.7
95.08000	2.8
95.08588	52.4
97.02857	3.0
97.06525	28.4
97.10155	33.2
98.97562	15.3
99.08080	36.8
103.74083	1.3
105.07021	8.4
107.04942	1.5
107.08584	51.2
109.06497	4.4
109.10149	18.0
111.08064	24.1
113.09615	5.8
115.05454	1.6
116.98607	9.0
117.07044	1.6
117.61618	1.4
119.08548	4.7
121.06475	4.2
121.10128	75.1
123.08042	13.5
123.11658	2.5
125.09606	17.4
125.13200	1.3
127.03931	1.4
128.06168	2.4
129.06956	4.3
131.08557	4.2
132.49504	1.4
133.10086	3.4
134.99623	4.3
135.11678	19.6
137.13220	10.8
139.11169	3.4
139.22420	1.2
141.06972	1.6
142.07785	3.4
143.08566	5.2
145.10091	1.4
147.11649	2.7
149.09583	3.1
149.13220	10.7
157.06540	1.8
157.10115	8.3
158.99629	4.7
159.11656	3.1
161.01245	1.8
167.08530	3.3
169.10033	1.4
170.10878	2.6
171.07928	1.6
171.11694	4.3
177.00665	4.9
177.16356	100.0
178.16737	2.0
183.11667	2.1
185.07176	1.7
185.13318	2.1
189.11189	3.2
195.08072	2.4
195.13776	12.5
195.15266	1.4
195.15834	1.6
195.17377	11.7
198.10370	1.7
207.08540	1.4
213.05582	2.9
213.09244	8.5
213.12788	4.8
213.14821	25.0
213.16444	8.4
213.18471	9.4
222.08344	5.1
222.58664	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1845
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03923	2.2
55.01857	5.2
55.05273	1.2
55.05502	15.4
56.96542	1.0
57.03421	2.0
57.07059	5.1
67.05490	9.1
69.03414	5.4
69.07056	24.1
69.47108	9.9
70.06571	2.9
71.04982	7.1
73.02866	0.9
79.05473	11.4
81.03386	1.8
81.07041	27.8
83.04984	1.8
83.08599	13.7
85.06532	9.4
85.08545	0.9
91.05449	7.4
93.07024	21.0
93.96458	1.0
94.07352	1.0
95.04955	3.3
95.08588	47.6
96.08910	1.2
97.02874	1.7
97.06484	3.1
97.10155	10.4
98.97558	5.8
99.04441	1.2
99.08073	37.4
103.05337	1.0
105.07019	5.3
107.08573	46.8
108.38515	0.9
109.06477	4.0
109.10140	9.7
111.08056	16.2
113.09628	4.5
116.98573	3.3
117.06947	1.1
119.04969	0.9
119.08531	3.3
121.06527	1.7
121.10120	71.8
123.08063	2.1
123.11681	2.1
125.09596	6.0
128.06190	1.4
129.06915	2.2
131.08528	2.7
133.10130	1.9
134.99646	1.4
135.08026	2.7
135.11673	14.1
137.09592	1.2
137.13217	10.8
139.11159	3.3
141.06964	1.8
142.07733	1.7
143.08514	3.8
145.10051	1.3
149.09578	2.2
149.13220	6.9
153.09120	1.2
153.12791	1.1
155.08475	1.7
156.09349	1.8
157.06506	1.9
157.10081	5.9
158.99544	1.7
159.11665	1.5
165.06975	1.1
167.08508	1.9
169.10110	2.0
171.07996	1.5
171.11630	2.6
177.00690	3.0
177.09120	1.8
177.16353	100.0
178.16704	2.8
185.07121	2.2
185.09615	3.1
185.13181	2.4
195.10158	1.2
195.11728	2.4
195.13622	1.4
195.17413	13.2
213.05197	1.2
213.07204	1.5
213.09087	3.3
213.12756	6.0
213.16322	5.9
213.18462	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	213.1481
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
51.80489	1.7
53.03923	4.6
55.01863	16.1
55.05502	80.2
56.96532	2.2
57.03416	2.5
57.07042	5.4
59.04964	3.1
65.03903	3.2
66.09520	2.0
67.05498	41.8
67.90121	1.8
69.03419	14.3
69.07055	26.5
69.45004	2.0
70.06558	5.6
71.04984	70.5
71.70009	2.8
73.41003	1.8
76.65715	1.8
79.05479	33.2
81.03374	6.3
81.06621	3.0
81.07046	51.3
83.04959	13.2
83.08606	49.7
85.06534	18.3
87.04429	6.5
91.05460	16.5
93.06519	2.9
93.07030	40.2
95.04926	3.8
95.08591	24.2
97.06518	100.0
97.10149	57.3
98.97541	6.5
99.04427	2.2
99.08076	2.3
101.09662	2.5
105.07031	11.6
107.04895	5.2
107.07926	2.4
107.08581	30.7
109.06453	6.6
109.10130	21.7
111.08098	9.2
113.05958	2.5
116.98576	5.4
117.07025	9.2
117.67147	1.8
118.30212	1.8
119.08499	6.0
121.06459	4.6
121.10112	13.1
123.04320	2.7
123.08046	4.7
123.11658	3.8
125.05967	2.4
125.09618	36.0
128.06165	4.0
129.06927	5.6
131.08537	10.1
133.10046	7.2
134.99594	2.7
135.08005	7.8
135.11620	7.5
137.09573	3.6
141.06929	4.6
142.07710	8.9
143.08496	8.3
145.10103	2.6
147.11603	3.8
149.09573	7.0
149.13271	12.2
151.03801	3.1
151.11104	2.1
153.05411	2.7
153.07402	9.6
153.09027	3.0
155.08508	3.0
156.09204	3.3
157.06401	5.2
157.10091	14.4
159.11615	8.6
165.06984	3.9
165.12645	2.9
166.07916	2.4
167.08647	5.7
167.14253	5.1
170.07199	2.2
170.10767	2.3
171.07898	3.7
171.11653	11.0
177.00655	3.7
177.08980	2.9
177.12787	9.8
177.16356	2.5
185.07170	3.5
185.09529	5.3
185.13173	4.6
189.11130	7.1
195.08223	9.7
195.11847	3.8
195.13768	42.6
213.05376	6.4
213.09152	15.0
213.12643	8.8
213.14740	92.4
213.16412	7.3
214.08479	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	213.1482
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03928	3.3
55.01856	7.8
55.05500	22.0
56.96560	4.0
57.03421	5.8
57.07042	2.6
65.03920	2.7
67.05132	2.6
67.05490	28.5
69.03419	10.2
69.07056	72.1
69.88865	10.6
70.06576	7.7
70.07369	1.6
70.16468	1.7
71.04984	43.8
72.08129	4.5
73.02910	2.1
73.06523	3.5
79.05482	27.0
81.03372	2.9
81.07043	43.9
83.04936	6.5
83.08611	7.6
85.02894	2.6
85.06530	100.0
85.10165	5.1
86.09686	2.8
87.04458	2.8
88.07599	3.2
91.05460	21.3
93.07030	60.6
95.04951	10.7
95.08005	2.3
95.08590	36.3
97.06514	80.4
97.10133	6.4
98.97545	2.4
99.04443	3.8
99.08064	5.8
105.07002	11.0
107.04956	9.0
107.08579	38.6
108.08915	2.2
109.06498	5.5
109.10140	16.8
111.04425	4.9
111.08069	25.3
113.05982	5.9
113.09623	6.6
115.05425	2.0
115.07539	6.4
116.98589	1.9
117.06980	5.8
119.08556	7.6
121.06490	6.2
121.10130	30.2
123.08045	3.7
123.11692	8.2
125.05927	4.8
125.09604	8.0
129.05429	4.1
129.06984	4.5
131.08521	5.9
133.10097	7.2
135.08005	5.1
135.11668	46.9
137.05943	1.7
137.09613	12.6
139.11148	4.8
142.07733	2.5
143.08517	1.7
147.11681	5.4
148.97353	2.4
149.09586	7.6
149.13223	39.7
151.11111	2.9
153.09067	2.7
153.12720	18.6
156.09262	1.9
157.10097	4.9
159.11667	8.8
163.07487	2.1
165.12737	3.0
167.07011	9.5
167.08359	2.6
167.14265	12.6
169.07602	11.3
177.09114	5.0
177.12711	37.6
185.07129	2.0
185.09531	1.8
185.13213	1.9
195.10117	3.8
195.13777	43.8
213.10258	20.6
213.12643	6.4
213.14825	18.1
213.16504	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	213.1481
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03923	3.3
55.01857	17.0
55.05502	77.2
57.03429	1.6
59.04963	1.3
59.89022	1.4
65.03920	1.7
66.63824	1.4
67.05492	28.8
69.03403	9.5
69.06745	1.7
69.07060	22.4
70.23466	1.5
70.35559	2.8
70.35976	5.4
71.04983	69.4
79.05097	1.6
79.05479	22.2
81.06613	2.3
81.07043	32.5
83.04945	5.5
83.08606	50.0
85.02898	3.9
85.06534	10.9
87.04447	8.5
89.39040	1.6
91.05463	8.7
93.07020	23.9
95.04942	4.3
95.08579	11.3
97.06519	100.0
97.10154	64.9
99.08057	1.6
101.09637	2.1
105.07001	5.1
107.04861	1.6
107.08569	26.0
109.06437	3.9
109.10149	13.2
111.08033	6.0
112.25082	1.5
114.56422	1.5
117.06977	5.9
119.04874	1.9
119.08510	5.3
121.06484	2.2
121.10086	7.0
123.11661	1.9
125.09614	38.1
129.06950	2.8
131.08510	6.4
133.10097	6.1
135.07999	6.4
135.11670	6.9
139.11118	1.9
142.07726	2.6
143.08466	2.3
143.10645	2.0
149.09605	3.5
149.13210	6.0
155.08466	2.0
157.10088	7.9
159.11600	6.7
169.09976	2.0
171.11656	4.3
177.00620	1.7
177.12730	9.2
185.13249	1.9
189.11150	6.3
195.12157	2.0
195.13773	41.4
213.09023	2.3
213.12691	5.2
213.14771	81.2
213.16428	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	213.1483
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03939	2.3
54.60229	0.9
55.01864	17.1
55.05505	76.7
57.03424	1.2
57.07043	1.1
59.04966	1.9
63.66209	1.0
67.05499	28.0
69.03413	10.5
69.07054	16.8
69.75951	8.0
71.04984	69.3
75.28265	1.1
79.05486	20.2
81.03376	1.4
81.06552	1.2
81.07049	31.6
83.04983	6.4
83.08608	46.2
85.06549	8.3
87.04470	7.2
91.05475	6.3
93.07034	23.1
95.04945	1.6
95.08591	12.4
96.22153	1.0
97.06519	100.0
97.10157	66.4
98.20792	2.3
99.08057	1.1
101.09622	2.6
105.07000	4.1
107.08590	20.4
107.09268	0.9
109.06512	2.4
109.10161	14.0
111.08073	5.1
113.05995	1.2
117.07005	5.0
121.06485	1.7
121.10143	3.8
125.09614	39.6
129.06992	1.7
131.08542	5.1
133.10141	5.0
135.08041	7.5
135.11678	6.0
142.07735	1.9
143.08505	3.8
148.18741	1.3
149.13254	3.5
151.11183	1.4
152.06201	1.3
153.09091	2.1
157.10081	4.4
159.11664	5.2
165.12628	1.1
167.08499	1.2
171.07886	1.3
171.11674	2.7
177.12715	7.6
185.13226	2.0
189.11134	7.6
195.08014	1.8
195.13783	40.8
196.14038	1.0
213.05415	1.7
213.09094	3.0
213.14804	87.3
213.16422	4.7
214.15227	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1118
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03928	2.7
55.01848	3.5
55.05484	4.0
57.03416	1.6
59.04982	2.8
59.61651	1.3
60.24294	1.2
62.31492	1.3
67.05482	5.2
68.89240	1.2
69.03402	3.9
69.07035	2.2
70.06570	3.0
71.04962	2.3
71.21848	2.8
71.22175	1.4
72.08114	1.4
79.05480	19.5
81.03385	2.3
81.07024	6.5
83.04981	2.5
83.08588	1.9
85.06500	2.6
86.09650	2.3
91.05466	30.4
93.06498	2.2
93.07034	24.0
95.04943	5.4
95.08573	4.5
97.02882	1.8
97.06522	2.1
99.04412	2.1
103.05424	4.3
103.50986	1.3
105.07015	30.9
107.04948	20.0
107.08579	76.0
108.08890	1.6
109.06490	7.2
109.10124	5.0
111.04427	2.4
111.08041	2.9
115.05413	4.1
116.06197	2.2
116.98625	1.9
117.06997	25.9
119.04909	1.8
119.08559	64.1
120.05668	2.0
121.06465	5.9
121.10123	44.3
123.04413	2.8
123.08047	7.6
125.05948	2.5
125.09579	1.7
128.06210	2.3
129.06961	5.2
131.04961	1.8
131.07648	2.5
131.08543	31.4
133.10109	4.6
135.04419	1.8
135.08023	40.2
137.09579	3.7
142.07739	3.8
143.08551	2.9
147.08025	31.1
149.09590	43.3
151.07527	2.7
152.06148	1.5
153.05446	1.8
153.06750	1.5
153.09050	9.2
155.08545	1.4
157.10057	2.7
159.08070	11.1
163.07532	8.6
165.06989	2.0
165.09100	31.9
167.07031	27.5
167.08409	2.7
167.10637	3.5
171.11578	2.0
177.09084	100.0
178.09369	2.4
185.09505	2.5
195.08406	2.3
195.10167	13.8
195.11844	2.4
195.15504	1.6
213.09225	4.0
213.11154	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1482
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03929	1.7
55.05507	19.4
56.87281	1.0
57.03418	2.3
57.07069	11.9
60.89096	0.9
63.72736	0.8
67.05495	5.7
69.03420	0.9
69.07055	9.6
69.37266	1.9
69.37666	9.6
71.59900	1.1
77.52589	1.0
79.05485	4.7
81.07051	6.9
83.04973	11.0
83.08610	2.3
85.06548	5.8
88.07585	2.0
91.05483	5.5
93.07027	15.7
95.04961	1.8
95.08592	12.0
97.06520	6.4
105.07043	6.1
107.04962	1.5
107.08586	19.9
109.06484	4.5
109.10127	2.4
111.04430	100.0
111.08057	3.3
112.04774	1.3
115.05454	1.1
117.06994	2.2
119.08557	4.5
121.06474	3.2
121.10117	2.7
122.07243	0.9
123.08112	1.1
125.05979	29.6
127.07533	2.7
128.06200	1.7
129.06972	1.4
130.07742	1.4
133.78972	1.0
135.08034	15.1
135.11678	21.4
137.13251	1.3
139.07536	5.8
141.07047	1.2
142.07864	1.2
143.08565	7.9
145.10104	19.6
153.12700	5.3
155.08556	0.9
156.09338	2.6
157.10126	5.8
163.11168	24.5
163.12463	1.9
165.06903	1.3
167.08487	1.3
170.10965	1.2
171.11668	4.4
177.89589	0.9
181.12219	44.7
182.12524	1.1
185.09650	1.3
185.13177	2.0
195.11961	1.2
195.13779	4.5
198.10370	1.4
213.09190	1.0
213.12721	4.8
213.14612	2.4
213.16431	15.4
213.18324	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.112
Annotation	Melazolide A
Peak:m/z	Relative Intensity
51.02351	1.3
53.03934	3.6
53.09526	0.9
55.01847	5.0
55.05508	6.5
56.96558	3.3
57.03431	2.2
57.07057	1.8
58.31595	1.0
65.03926	1.8
67.05497	5.9
69.03426	5.1
69.07058	3.9
70.06591	6.8
71.01369	1.2
71.04982	3.5
71.69757	1.6
73.02908	1.7
73.26424	1.1
78.04744	1.1
79.05489	18.8
81.03422	4.1
81.07045	9.2
83.04989	4.8
83.08601	2.0
85.02901	2.0
86.09705	1.4
88.07616	3.6
91.05469	32.4
93.07034	32.7
95.04941	7.4
95.08606	4.8
97.02859	2.4
97.06506	5.7
98.97588	2.2
99.04431	2.5
103.05469	2.9
105.07017	44.1
107.04930	12.9
107.08579	74.2
109.02827	1.6
109.06532	6.4
109.10147	2.7
111.04418	3.4
111.08036	1.1
113.05961	1.1
114.60028	1.0
115.05449	1.9
116.06236	4.2
116.06992	1.1
116.98600	2.2
117.07015	3.1
119.04943	2.5
119.08565	100.0
121.02869	1.1
121.06493	6.6
121.10131	33.2
123.04415	5.1
123.08055	7.5
123.11674	1.9
125.02340	4.2
125.06000	5.4
125.09583	1.6
127.03909	1.7
129.06987	5.4
131.08551	35.9
133.02875	1.9
133.06483	3.1
133.10095	6.0
134.99669	2.9
135.04420	4.5
135.08046	9.2
135.11664	1.6
137.05962	3.1
137.09587	1.7
139.03885	1.9
140.04663	12.2
141.05453	4.8
142.07802	1.7
147.08038	45.5
148.97388	4.1
149.06006	2.8
149.09599	40.7
149.10793	1.8
150.05525	1.2
151.03889	1.6
151.07480	1.3
151.11211	1.5
153.05441	9.9
153.09123	2.2
155.07014	5.5
157.10106	2.2
159.08052	9.3
163.03906	6.8
165.05518	1.4
165.06985	1.3
165.09105	33.6
166.12268	1.1
167.03357	2.5
167.07065	6.7
167.08319	1.5
167.10675	8.0
177.00642	1.7
177.09087	32.0
177.10574	1.9
178.05031	1.3
195.06470	2.7
195.08313	2.0
195.10139	29.9
195.11894	2.5
213.05505	2.9
213.07394	2.0
213.09233	3.1
213.11212	21.8
213.13046	4.6
213.16312	2.1
222.63722	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.2053
Annotation	9Z,11E-Tetradecadien-1-ol
Peak:m/z	Relative Intensity
53.03934	1.9
53.44414	0.9
55.05503	27.6
56.58863	1.0
57.03421	3.1
57.07067	18.7
59.04974	1.5
60.50008	1.0
65.03930	1.7
67.05492	66.3
69.03410	3.3
69.07055	49.7
69.57668	4.4
69.58098	4.1
70.07374	1.0
71.04982	43.1
71.08617	14.1
79.05482	8.1
81.03400	5.0
81.07041	92.0
83.04952	2.8
83.08607	20.4
84.52824	1.1
85.06528	32.3
85.10154	6.9
91.05466	4.7
93.07026	6.7
95.04949	3.2
95.08589	100.0
96.08911	1.6
97.06525	2.8
97.10149	18.2
99.08048	5.3
105.07003	3.8
107.08562	5.4
109.06527	2.1
109.10136	53.8
111.08028	1.5
111.11698	8.6
113.09653	1.5
119.08522	5.3
121.10104	3.2
123.08073	1.6
123.11681	17.6
125.09618	2.8
131.08568	1.5
133.10089	2.5
135.11694	4.4
137.09599	2.0
137.13228	9.0
147.11662	2.7
151.11194	1.5
151.14799	3.2
153.12848	1.3
155.08540	3.5
155.14256	1.9
165.05492	1.0
165.07033	1.6
167.07024	3.9
167.08540	1.2
168.09346	1.0
169.10138	3.4
175.14709	1.6
181.10060	1.3
193.12253	2.4
193.15926	1.6
193.19502	3.1
196.08784	1.1
196.12381	1.2
200.49652	1.0
211.07611	1.9
211.11276	1.8
211.13013	1.2
211.14784	5.5
211.16711	2.1
211.20529	30.0
212.20731	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19891	1.0
53.03940	1.1
55.01853	2.2
55.05503	31.2
57.03416	4.7
57.07064	19.7
59.04976	1.5
65.03941	2.7
67.05494	73.5
68.05835	1.4
69.03427	5.1
69.07059	52.9
69.68112	8.1
71.04982	44.4
71.08620	14.8
79.05150	0.9
79.05489	10.5
81.03409	8.9
81.07043	95.6
82.07401	1.0
83.04987	6.4
83.08608	20.7
85.06528	31.8
85.10168	7.4
91.05457	6.3
93.07034	10.1
95.04968	7.1
95.08589	100.0
96.08889	1.2
97.02869	1.3
97.06534	3.1
97.10151	17.2
99.04453	1.2
99.08054	5.6
105.07015	7.4
107.08586	7.3
109.02804	0.9
109.06508	3.9
109.10134	54.0
110.10474	1.4
111.08054	2.1
111.11701	9.2
119.08540	6.8
121.06491	1.1
121.10125	4.7
123.04408	2.1
123.08055	2.1
123.11686	19.8
125.09611	5.1
128.06195	1.2
129.06940	1.7
131.08549	2.0
133.10130	4.5
135.11661	7.9
137.09601	1.7
137.13208	8.7
141.06990	1.7
147.07997	1.1
147.11601	5.0
149.05994	1.2
151.11189	2.6
151.14815	2.3
155.08521	3.7
155.14302	1.5
157.10089	2.0
165.06996	1.6
165.16438	1.2
167.07057	6.0
167.08267	1.4
169.10161	5.1
175.11201	3.2
175.14818	3.0
179.06941	1.4
181.06541	1.1
181.10114	2.2
183.11703	3.7
193.10347	1.6
193.12213	4.6
193.15916	3.0
193.19522	2.8
196.12451	3.5
211.07553	3.6
211.11189	2.7
211.13072	2.2
211.14980	6.8
211.16768	1.9
211.20537	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32811	0.7
53.03939	2.6
55.01865	2.3
55.05502	36.1
57.03431	4.2
57.07065	15.4
59.04993	4.9
65.03927	2.0
67.05493	65.3
68.05824	1.1
69.03426	5.2
69.07056	56.9
69.58283	4.9
70.06580	0.6
70.07377	0.6
71.04980	54.7
71.08624	8.4
73.06519	1.6
79.05482	16.2
81.03403	19.2
81.07042	87.4
83.04502	0.9
83.04971	12.2
83.08604	26.2
85.02882	0.7
85.06531	22.8
85.10164	5.7
91.05466	11.6
93.06422	1.1
93.07029	26.3
95.04955	10.4
95.08591	100.0
96.08908	1.8
97.02853	0.9
97.06516	14.8
97.10155	15.2
99.04443	8.2
99.08071	11.0
103.05391	0.6
105.07006	11.8
107.04960	2.0
107.08572	23.9
109.02858	0.8
109.06519	4.0
109.10139	44.7
110.10490	1.3
111.04420	1.1
111.08074	5.7
111.11711	7.1
113.06022	1.1
113.09624	2.0
115.07552	6.3
115.21212	0.6
117.06991	0.8
119.08559	19.4
121.10123	13.7
123.04456	1.1
123.08052	5.4
123.11687	42.6
124.12035	0.9
125.09602	2.0
127.07540	2.6
127.11126	0.6
128.06229	0.6
129.06987	3.1
131.08572	3.4
133.06441	0.7
133.10104	17.4
133.11131	0.8
135.11671	41.0
136.11989	1.2
137.04588	0.5
137.05972	1.1
137.09581	5.1
137.13246	8.9
139.11166	0.8
141.07018	0.8
141.09084	1.6
141.12659	3.4
142.07727	0.7
147.08055	1.1
147.11664	6.2
149.09612	1.3
149.13235	6.7
151.03883	1.0
151.07506	1.0
151.11162	1.2
151.14787	2.7
152.07037	6.4
153.06926	0.8
153.12715	10.9
154.07671	0.7
155.08536	2.6
155.10608	4.0
155.14287	1.6
157.10115	3.5
163.14801	0.7
165.05583	0.7
165.06949	0.9
165.12726	1.4
165.16365	0.7
166.08600	0.9
167.07043	5.6
167.08394	1.1
167.14307	1.1
168.05650	0.7
168.09238	1.0
169.10109	4.0
175.11209	2.9
175.14793	20.7
176.15134	1.0
181.10124	1.3
183.08009	0.9
183.11594	2.0
193.04845	0.7
193.10162	1.0
193.12190	7.3
193.15889	7.2
193.19469	1.8
194.08112	4.2
196.08760	0.8
196.12450	1.6
211.05804	1.0
211.07518	3.0
211.11186	2.6
211.13190	2.6
211.14786	5.2
211.16862	29.3
211.20500	19.6
212.09241	0.8
212.17183	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1688
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03934	2.1
55.01865	1.4
55.05500	26.6
57.07061	5.4
57.49157	1.6
59.04997	6.6
59.50058	1.2
65.76023	1.2
66.92346	1.4
67.05490	31.4
69.03408	1.3
69.07047	10.0
71.01344	2.1
71.04978	14.4
71.25349	1.9
71.25686	1.6
79.05498	6.9
80.45757	1.3
81.07039	21.5
81.38179	1.3
81.71718	1.4
83.04952	7.1
83.08599	26.5
85.06503	6.6
91.05457	4.7
93.07019	20.1
95.04947	97.4
95.08586	43.4
97.06520	4.9
99.04436	12.2
99.08075	100.0
101.06002	2.5
105.07011	7.0
107.08570	19.3
109.06483	4.9
109.10134	55.1
111.08030	6.7
113.05982	2.9
113.09632	2.4
119.08557	13.9
121.10107	6.9
123.08042	4.8
123.11678	4.9
125.09567	3.2
127.11201	2.9
132.48628	1.4
133.10115	10.4
135.11655	22.2
137.09587	45.5
139.11168	2.8
147.11705	2.3
151.11121	3.9
151.14813	2.9
153.12711	6.8
155.10643	42.7
159.54410	1.3
173.68744	1.4
175.14758	9.7
193.15839	15.8
193.95605	1.5
211.16878	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03935	1.8
55.01855	0.9
55.05505	16.8
56.05858	0.5
57.02456	0.5
57.03425	1.4
57.07064	4.5
59.04991	2.4
65.03922	1.1
67.05496	33.4
67.25664	0.7
68.32176	0.5
69.03421	10.8
69.07059	18.7
69.96650	0.6
70.61145	1.3
71.04987	6.9
71.08624	2.3
73.06515	0.6
77.03890	0.8
79.05480	6.7
81.03412	1.9
81.07046	34.4
83.04504	1.1
83.04966	13.0
83.08608	10.3
85.06525	6.3
85.10183	0.9
87.08097	0.6
91.05477	6.4
93.07027	14.0
95.04956	5.6
95.08594	46.0
97.06518	2.7
97.10165	3.2
98.05913	0.7
99.04450	1.2
99.08071	5.4
105.07021	8.8
107.08575	28.7
108.05681	0.8
109.06508	12.1
109.10143	100.0
109.97029	0.6
110.10473	2.0
111.08059	4.3
113.09652	1.9
117.07006	0.7
119.05987	0.7
119.08565	22.8
121.06524	1.0
121.10126	10.6
123.08054	15.3
123.11690	12.4
125.09589	4.4
127.11185	1.3
131.08543	0.9
133.10115	18.7
133.11128	1.0
135.11676	59.0
136.12016	1.4
137.09602	16.2
138.10417	0.8
139.11130	2.3
145.10078	0.8
147.11670	2.6
149.13232	5.8
151.11163	8.9
151.14806	11.8
153.07010	1.0
153.12724	3.4
155.08531	0.8
158.53943	0.6
165.12733	1.4
165.16394	2.3
167.07025	2.5
167.08316	0.7
168.09369	0.8
169.10114	1.8
175.14804	20.2
183.11621	0.8
193.12210	1.2
193.15851	16.5
195.72461	0.7
196.12453	0.7
211.07645	1.5
211.11188	1.4
211.14833	2.5
211.16946	3.2
211.20543	1.2
211.54465	0.6
216.91830	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1689
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
50.91933	0.7
53.03920	2.8
55.01865	3.6
55.05501	39.2
57.03428	5.0
57.07063	14.8
59.04748	0.8
59.04988	7.8
65.03904	1.5
67.05490	64.1
68.09633	0.7
69.03412	5.4
69.07055	60.5
69.24499	0.8
69.75372	1.4
69.75781	4.2
70.07379	0.8
71.04979	56.3
71.08617	7.8
73.06552	0.9
79.05477	17.1
81.02955	1.0
81.03401	17.7
81.07039	88.9
82.07353	1.7
83.04962	11.2
83.08601	31.2
85.02867	1.4
85.06021	1.4
85.06526	26.5
85.10172	4.4
91.05458	13.8
93.06435	1.0
93.07026	31.8
95.04945	11.2
95.08584	100.0
96.08898	1.1
97.02853	0.9
97.06511	17.2
97.10151	16.5
98.10433	0.9
99.04437	8.8
99.08080	11.2
101.06030	0.9
105.03345	1.0
105.06331	1.1
105.07004	13.5
107.04913	1.7
107.08572	26.9
109.02866	0.9
109.06501	4.4
109.10134	50.7
111.08077	4.8
111.11685	6.6
113.06008	1.1
113.09649	1.5
115.07551	8.7
119.08563	22.5
121.10123	15.6
123.07256	0.9
123.08062	5.9
123.11679	49.1
125.09584	5.4
127.07503	2.4
127.11154	1.7
129.06934	2.4
131.08507	3.5
133.06422	1.0
133.10101	20.0
135.11664	51.2
136.12001	1.4
137.05949	0.9
137.09579	5.1
137.13203	7.7
139.11090	1.5
141.09047	2.8
141.12666	3.4
142.07707	1.0
145.10132	1.3
147.11635	7.0
149.09564	1.1
149.13219	7.2
151.03819	1.1
151.07475	1.0
151.11104	1.3
151.14755	3.1
152.06996	3.1
153.12695	15.3
155.08459	2.1
155.10638	5.9
157.10107	4.1
165.06859	1.0
165.12732	1.5
166.08589	1.0
167.07011	6.9
167.08345	1.3
167.14273	1.5
169.10075	2.5
175.11142	3.3
175.14783	27.5
176.15106	0.8
181.10080	1.3
183.08047	1.2
183.11609	2.0
193.10593	1.0
193.12199	6.2
193.15855	9.2
193.19478	1.8
194.08041	1.9
196.08751	1.0
196.12375	2.5
211.05783	1.4
211.07529	3.4
211.11078	3.3
211.13205	2.3
211.14774	6.1
211.16855	35.0
211.20476	18.1
215.74657	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1689
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03922	1.2
55.01844	2.1
55.05503	20.3
56.05812	1.0
57.03408	2.1
57.07071	7.2
59.04971	3.4
60.45454	0.7
65.03906	1.9
67.05494	45.0
69.03419	8.0
69.07058	24.4
69.84746	2.5
69.85158	2.6
71.04679	0.7
71.04984	8.8
71.08606	1.9
72.92396	0.9
79.05479	12.4
81.03403	5.3
81.07044	41.1
81.86286	0.7
83.04967	10.6
83.08167	1.2
83.08607	14.3
85.06526	9.5
91.05460	9.0
92.30210	0.8
93.07028	17.5
95.04968	7.6
95.08592	100.0
96.08899	1.8
97.06519	4.7
97.10143	6.1
99.04413	1.9
99.08076	9.8
101.06017	1.3
105.07020	11.6
107.08575	22.5
109.06498	8.8
109.10141	79.3
110.10423	1.0
111.08065	5.7
111.11669	1.5
113.05933	0.9
113.09577	1.5
115.05427	0.9
115.07536	4.5
119.08567	20.4
121.06459	1.0
121.09380	1.0
121.10131	12.9
123.04386	1.9
123.08037	9.0
123.10899	1.0
123.11697	12.6
125.09597	8.9
127.11153	1.4
129.06926	1.3
131.08513	1.4
133.09175	1.3
133.10115	18.6
135.11674	39.2
136.11971	1.5
137.09599	19.6
137.13181	1.8
139.11122	4.2
147.11662	4.8
149.13206	7.6
151.11186	6.7
151.14783	5.6
153.12697	1.7
155.08540	1.8
155.10649	1.6
163.14842	6.4
165.06905	1.0
165.09076	0.8
165.12607	1.8
165.16322	3.0
167.07045	9.6
168.85283	0.8
169.04883	1.0
169.10101	2.7
170.24065	0.7
175.11264	1.0
175.13440	1.4
175.14815	20.6
176.15158	1.0
181.10028	1.2
181.15796	2.3
183.08005	1.1
183.11613	2.0
183.15811	3.7
191.04259	0.7
193.04980	1.0
193.08395	0.8
193.12183	2.6
193.14091	1.5
193.15849	26.7
196.08853	0.7
211.07420	2.6
211.11162	1.8
211.14793	5.3
211.16856	26.1
211.20442	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	211.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01855	0.9
55.05505	16.8
56.05858	0.5
57.02456	0.5
57.03425	1.4
57.07064	4.5
59.04991	2.4
65.03922	1.1
67.05496	33.4
67.25664	0.7
68.32176	0.5
69.03421	10.8
69.07059	18.7
69.96650	0.6
70.61145	1.3
71.04987	6.9
71.08624	2.3
73.06515	0.6
77.03890	0.8
79.05480	6.7
81.03412	1.9
81.07046	34.4
83.04504	1.1
83.04966	13.0
83.08608	10.3
85.06525	6.3
85.10183	0.9
87.08097	0.6
91.05477	6.4
93.07027	14.0
95.04956	5.6
95.08594	46.0
97.06518	2.7
97.10165	3.2
98.05913	0.7
99.04450	1.2
99.08071	5.4
105.07021	8.8
107.08575	28.7
108.05681	0.8
109.06508	12.1
109.10143	100.0
109.97029	0.6
110.10473	2.0
111.08059	4.3
113.09652	1.9
117.07006	0.7
119.05987	0.7
119.08565	22.8
121.06524	1.0
121.10126	10.6
123.08054	15.3
123.11690	12.4
125.09589	4.4
127.11185	1.3
131.08543	0.9
133.10115	18.7
133.11128	1.0
135.11676	59.0
136.12016	1.4
137.09602	16.2
138.10417	0.8
139.11130	2.3
145.10078	0.8
147.11670	2.6
149.13232	5.8
151.11163	8.9
151.14806	11.8
153.07010	1.0
153.12724	3.4
155.08531	0.8
158.53943	0.6
165.12733	1.4
165.16394	2.3
167.07025	2.5
167.08316	0.7
168.09369	0.8
169.10114	1.8
175.14804	20.2
183.11621	0.8
193.12210	1.2
193.15851	16.5
195.72461	0.7
196.12453	0.7
211.07645	1.5
211.11188	1.4
211.14833	2.5
211.16946	3.2
211.20543	1.2
211.54465	0.6
216.91830	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1689
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03928	1.7
53.44714	1.5
55.01849	2.9
55.05499	27.4
56.78317	1.6
57.03417	3.5
57.07063	3.1
59.04991	7.7
63.48564	1.6
65.03919	2.0
67.05495	30.0
69.03414	4.2
69.07058	12.4
71.04982	15.7
75.42938	1.7
75.96449	1.6
79.05463	11.5
81.03382	3.1
81.06608	2.0
81.07047	27.1
83.04977	7.9
83.08604	26.1
85.02866	3.1
85.06535	9.5
85.10181	1.6
91.05470	12.8
93.07026	24.8
95.04952	71.6
95.08591	47.8
97.06512	12.3
97.10125	1.5
98.21468	3.3
99.04438	17.1
99.08076	100.0
101.05975	2.9
105.07011	12.0
107.04919	3.0
107.08584	17.3
109.06505	10.4
109.10136	57.5
111.04372	2.0
111.08084	10.4
113.05984	5.3
115.07539	1.6
119.04890	3.9
119.08562	17.0
121.06472	4.4
121.10128	11.5
123.04380	3.6
123.08046	7.1
123.11685	8.1
125.02400	1.5
125.09586	3.6
127.07501	2.3
127.11143	3.7
129.06891	1.5
133.10104	12.4
135.11676	17.6
137.05894	3.7
137.09587	43.5
139.11209	3.3
147.07985	2.2
147.11635	3.0
149.05981	2.2
149.13248	3.0
151.07538	2.8
151.11151	4.1
151.14796	3.7
153.12749	2.5
155.08604	2.2
155.10648	39.8
158.34641	1.5
165.16415	2.4
167.07031	13.2
175.11191	1.7
175.14749	8.9
183.08141	1.7
183.11682	2.9
184.16542	1.6
193.12216	2.7
193.15872	15.3
196.07233	5.1
211.07686	2.9
211.09445	3.0
211.11298	2.9
211.13226	2.5
211.14975	3.1
211.16902	43.7
212.17366	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1325
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03929	5.3
55.01860	7.4
55.05501	39.5
57.03434	7.7
59.04976	1.4
63.81858	1.1
65.03917	1.9
67.05493	32.5
69.03418	11.9
69.07053	12.4
70.96076	2.7
71.04980	5.5
72.69363	1.1
74.04312	1.2
75.02399	1.0
79.05481	32.1
81.03403	100.0
81.07040	36.0
83.04967	48.0
83.05333	1.0
83.05470	1.9
83.08605	31.7
85.02891	1.3
85.06529	4.5
91.04921	2.1
91.05468	33.5
93.07023	17.5
94.06564	1.2
95.04947	35.9
95.08585	14.8
97.02881	3.3
97.06488	5.9
97.10151	6.6
99.04446	2.4
99.08058	2.1
105.07011	23.5
105.16031	1.0
107.04936	7.0
107.08569	9.2
109.06528	6.4
109.10115	5.6
111.04411	3.1
111.08058	8.9
115.05422	2.3
117.06988	2.3
119.04941	1.3
119.08559	21.3
119.62965	1.2
121.06504	2.1
121.10081	5.4
121.29391	1.2
123.08041	4.3
125.05982	1.5
125.09547	2.0
129.06984	10.3
131.08548	11.7
133.06496	4.1
133.10101	12.7
135.11653	1.6
137.09615	3.1
141.07013	1.2
142.07758	3.9
145.10109	2.2
147.08003	3.7
147.11662	16.5
149.09587	7.7
151.07513	1.4
151.11218	1.7
155.08513	2.7
157.10092	15.1
165.07040	1.3
165.12749	2.4
167.06985	4.5
167.08334	1.6
169.10115	2.8
175.11168	17.8
176.03226	1.1
181.06548	1.7
181.10150	1.3
183.11819	1.5
193.12215	35.9
196.12256	1.4
202.32152	1.3
204.90015	1.1
211.07619	2.6
211.11090	4.9
211.13245	14.5
211.14900	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.87515	1.0
52.69764	1.0
53.03939	5.6
53.68473	1.1
55.01866	7.5
55.05234	2.1
55.05503	40.6
56.96563	1.6
57.03424	9.6
57.07084	1.0
58.58168	1.0
65.03932	2.2
67.05134	2.0
67.05495	34.9
69.03421	11.6
69.07066	10.5
69.56767	11.0
70.09529	1.1
71.04970	5.8
79.05022	1.8
79.05482	33.5
81.03406	100.0
81.07045	37.3
83.04969	46.7
83.08607	31.5
85.02900	1.3
85.06547	3.6
91.04919	2.2
91.05469	34.7
91.06042	2.0
93.07030	20.3
95.04955	37.8
95.08589	14.5
97.02865	4.1
97.06538	5.1
97.10152	7.5
98.98420	1.2
99.04424	1.3
99.08105	2.1
105.07015	26.5
107.04925	7.0
107.08571	11.4
109.06470	6.7
109.10138	4.9
111.04424	2.6
111.08055	12.9
113.05946	1.6
113.30260	1.0
117.06973	1.7
119.04948	1.8
119.08562	19.2
121.06480	2.7
121.10136	10.2
121.46929	1.3
123.08064	3.9
123.11682	2.0
125.09637	2.3
129.06987	14.7
131.08559	11.6
133.06499	4.0
133.10110	12.6
135.08034	1.3
137.09607	3.7
142.07790	2.5
145.10153	1.5
147.08031	3.6
147.11658	16.1
149.09624	4.9
151.11209	1.5
153.07082	1.6
155.08571	2.5
157.10094	15.4
160.91870	1.2
165.12769	4.3
167.07100	2.8
168.09358	1.9
169.10126	4.2
175.11157	15.4
181.10103	1.9
183.11708	3.6
188.17709	1.2
193.12212	35.4
196.08713	1.4
196.12524	1.4
211.07681	2.6
211.11209	4.8
211.13264	14.3
211.14880	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03925	4.5
55.01868	6.8
55.05502	43.4
55.99444	0.8
57.03427	9.3
57.07058	2.5
59.04988	1.1
62.03560	0.7
65.03934	2.3
67.05495	36.1
69.03425	9.9
69.07057	13.4
71.03767	2.4
71.04982	7.3
71.08636	0.7
71.62997	0.7
79.05481	32.7
81.03407	100.0
81.07045	40.9
82.03725	0.9
83.04969	51.7
83.08605	33.2
85.02913	1.2
85.06525	2.9
91.05466	31.6
93.07033	18.8
94.41766	0.8
95.04957	35.8
95.08598	17.8
97.02903	4.0
97.06538	5.7
97.10144	8.4
99.04444	1.1
99.08061	2.5
103.05445	0.9
105.07011	25.2
105.79316	0.7
107.04931	8.2
107.08589	10.9
109.06495	6.3
109.10140	7.8
110.24886	0.9
111.04443	2.8
111.08067	11.9
113.05995	1.2
115.05413	1.5
116.06269	0.8
117.06994	1.3
119.04919	1.0
119.08566	18.4
120.08924	0.8
121.06488	2.2
121.10128	8.0
123.04405	1.3
123.08078	5.2
123.11705	2.7
125.09602	1.9
127.07597	0.8
128.06192	1.1
129.06993	11.6
131.08559	12.0
133.06465	2.9
133.10115	12.2
135.11700	1.4
137.09607	3.7
141.06934	1.4
142.07745	3.0
145.10100	1.3
147.08040	3.9
147.11661	14.8
149.09583	7.0
153.06908	1.2
155.08543	2.0
157.10103	15.7
165.05411	1.0
165.12776	3.3
167.07030	4.0
168.09364	1.7
169.10139	2.0
175.11160	16.0
175.14856	1.1
181.10092	1.0
183.08066	1.0
183.11775	1.0
193.12222	32.9
196.12463	1.4
211.07564	2.1
211.11191	2.2
211.13277	14.2
211.14842	2.5
211.16766	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1325
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03927	4.2
55.01852	5.8
55.05504	43.2
57.03418	7.8
57.07067	9.7
65.03923	3.8
67.05184	2.9
67.05501	34.4
69.03427	9.7
69.07061	15.6
69.36346	16.2
69.36758	5.2
71.04986	5.0
71.08624	4.2
73.06522	1.9
74.60949	1.9
79.05480	36.7
81.03407	100.0
81.07044	50.4
83.04967	54.4
83.08605	37.1
85.06511	5.1
91.05474	35.3
93.07039	20.2
95.04958	36.0
95.08584	15.2
97.02879	4.7
97.06500	5.0
97.10155	9.6
98.21516	3.8
98.98438	2.1
99.08090	4.2
100.77626	1.9
105.07017	22.6
107.04936	6.0
107.08578	7.0
109.06557	4.1
109.10120	6.1
111.04420	3.4
111.08060	8.6
113.06047	1.9
115.05416	2.2
119.08571	21.5
121.06526	2.6
121.10120	8.5
123.08010	3.7
123.11687	2.3
125.09601	3.4
129.06985	12.3
131.08554	10.3
133.06471	5.2
133.10124	12.9
135.11586	2.7
137.09616	3.9
142.07762	2.9
147.11646	15.1
149.09627	9.9
155.08533	5.2
157.10104	17.7
162.21077	2.4
165.12715	4.1
169.10114	5.2
175.11115	14.8
183.11591	2.9
193.12212	27.1
211.05708	2.3
211.07639	2.4
211.11081	6.4
211.13272	12.1
211.14856	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	211.1325
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03927	4.4
55.01864	6.1
55.02079	1.1
55.05502	45.0
57.03438	8.9
65.03934	1.7
67.05495	31.8
69.03422	11.0
69.07059	12.3
70.37414	5.2
71.04964	6.2
79.05479	38.5
81.03405	100.0
81.07041	37.2
83.04967	52.9
83.08608	33.6
84.27921	1.1
85.02892	1.5
85.06543	3.1
91.05469	36.5
93.07030	17.4
95.04953	31.7
95.05473	0.6
95.05569	1.1
95.08595	17.9
97.02837	3.8
97.06513	6.0
97.10146	8.2
99.08094	1.7
99.67657	1.2
105.07004	23.0
107.04950	7.3
107.08578	7.7
109.06497	6.9
109.10130	3.7
111.04433	2.6
111.08067	12.9
113.05994	1.6
115.05479	1.5
117.06934	1.5
119.04964	1.1
119.08571	21.8
121.06486	2.6
121.10114	8.1
123.08016	3.6
123.11671	1.6
125.09573	1.8
129.06979	13.2
131.08554	13.3
133.06439	4.0
133.10129	9.9
137.09601	3.3
142.07762	4.8
145.10040	1.9
147.08031	3.4
147.11681	16.7
149.09587	8.1
151.11115	1.3
155.08499	1.9
157.10109	14.6
165.12717	3.0
167.07050	2.9
167.08542	1.5
169.10127	2.7
175.11180	14.6
180.32710	1.1
181.10124	3.1
193.12215	32.7
196.12381	2.3
211.07614	1.5
211.11223	2.2
211.13234	13.8
211.14906	3.9
223.44176	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01866	0.5
55.05500	1.2
56.05028	0.5
56.96553	1.3
57.03423	0.3
60.04518	0.3
62.06076	0.8
63.39849	0.3
67.05488	1.0
69.03408	1.0
69.07079	1.4
69.84166	0.4
69.84568	1.8
70.06574	1.2
71.04977	0.5
72.04501	1.2
73.02908	0.5
74.06062	0.6
79.05476	3.1
80.85236	0.3
81.03400	0.6
81.07037	0.8
83.04959	1.0
84.04476	0.3
84.08117	0.3
85.02883	0.8
85.06525	0.2
91.05472	5.8
93.07029	1.6
94.06559	0.5
95.04951	1.9
95.08569	0.5
97.02872	0.7
97.06496	0.6
98.07185	0.4
98.20785	0.5
98.97562	1.1
99.04417	0.5
103.05457	6.4
104.04973	0.5
105.07015	9.3
106.07320	0.4
107.04939	2.7
108.08138	0.4
109.06496	0.7
109.07616	0.4
109.10126	0.4
110.06020	1.0
110.06791	0.6
115.05491	0.4
116.98591	1.1
117.05756	1.5
117.07013	3.0
118.05052	0.5
118.06537	3.6
118.07294	0.5
119.01821	0.5
119.04939	0.8
119.07309	7.6
119.08562	1.3
120.08085	10.4
121.02776	0.3
121.06478	0.8
121.10094	0.4
122.06004	0.5
122.09636	0.4
123.04433	0.6
128.06186	1.3
129.06987	6.4
130.06581	0.6
131.04901	1.8
131.07307	1.9
133.06419	0.4
134.99631	0.9
135.99149	0.3
136.03972	0.3
136.07536	0.9
136.25720	0.3
137.05988	0.5
140.07039	0.4
144.08069	1.2
146.09621	7.3
146.10689	0.5
146.99657	0.4
147.04439	0.4
147.08063	0.4
149.02335	0.9
149.05945	0.7
150.05383	0.3
150.09094	0.5
151.03862	0.4
151.07501	1.7
158.99715	0.3
164.10686	100.0
165.05370	0.3
165.11047	1.5
165.55809	0.3
166.08696	0.4
167.06982	0.7
174.05444	0.5
177.00684	0.4
180.10013	0.6
181.98785	0.3
182.08119	0.7
182.11830	0.4
192.06430	0.4
192.10085	1.4
193.05023	0.5
193.10809	0.6
198.60457	0.3
210.07700	1.6
210.11221	13.6
210.15572	0.7
211.05962	0.6
211.11484	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1532
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	1.6
55.01861	5.4
55.05502	25.6
57.03419	0.9
57.07064	3.5
59.04984	0.6
65.03938	1.0
67.05494	13.6
69.03418	1.1
69.07051	4.4
70.03140	2.1
71.04980	1.1
73.06582	0.4
79.05475	12.4
80.05820	0.4
81.07041	18.6
83.04966	100.0
83.08603	3.9
84.05294	1.0
85.02903	0.4
85.06506	2.0
89.92577	0.4
91.05468	7.5
93.03398	0.7
93.07028	22.2
95.04948	3.3
95.08589	19.4
97.06509	2.0
97.10145	2.0
99.08091	1.4
103.05435	1.1
105.06999	3.6
106.04132	0.5
107.04929	0.9
107.08573	18.3
108.08860	0.5
109.06516	2.8
109.10132	6.1
111.04441	0.7
111.08056	7.3
112.08442	0.4
117.06986	2.2
119.08553	1.9
121.06483	2.8
121.10123	9.6
123.08051	0.9
123.11679	1.6
125.05975	1.1
125.09626	2.6
129.60301	0.4
131.04961	0.8
131.08563	4.1
133.10121	1.9
135.08012	4.6
135.11679	2.0
137.09587	0.9
139.07523	0.9
143.08482	0.4
145.02786	0.5
145.10126	2.2
145.11067	0.4
147.11710	2.0
149.06000	1.1
149.09573	2.4
149.13232	8.5
149.14418	0.5
151.11139	1.5
153.05441	0.7
153.09076	1.9
162.08615	0.4
163.07518	0.4
163.11093	0.8
163.14793	7.6
164.15123	0.5
165.06897	0.4
165.12750	0.5
167.08540	0.5
167.10548	0.5
167.14284	1.8
172.44171	0.4
173.13243	4.2
177.05428	1.1
179.08539	0.9
181.10040	0.7
181.15799	1.2
191.06895	0.5
191.10576	0.6
191.14278	5.2
194.10860	0.5
209.04457	1.6
209.06195	0.8
209.07817	0.7
209.09691	1.0
209.11696	1.1
209.13388	1.0
209.15320	17.3
210.15701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1532
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03938	1.6
55.01858	0.8
55.05505	3.4
57.03425	0.7
57.07067	2.1
59.04982	1.1
65.03939	0.6
67.05495	5.6
69.03418	11.5
69.07054	5.6
70.07185	1.4
71.04978	1.5
79.05479	3.4
81.03403	10.1
81.07041	8.9
83.04968	5.6
83.08598	1.6
85.06523	0.4
86.33749	0.3
91.05468	3.5
93.07030	4.9
95.04948	9.0
95.08585	11.8
95.09197	0.6
97.02801	0.3
97.06511	1.2
97.10129	0.3
99.08059	1.4
103.05440	0.5
105.07002	5.5
106.04157	0.5
107.04932	0.8
107.08573	11.3
109.06499	14.5
109.10152	2.7
110.07331	0.4
111.08055	0.9
117.07009	0.7
119.05973	0.3
119.08556	5.7
121.06409	1.4
121.10120	14.0
122.07285	0.5
123.08044	12.9
123.11678	8.5
124.08360	0.4
125.09566	0.6
131.08533	1.3
133.10075	1.5
135.08025	2.2
135.11662	1.3
136.08858	0.3
137.09590	3.8
137.13235	2.8
145.10077	1.1
147.11679	3.9
149.05951	1.0
149.09599	10.1
149.12096	0.6
149.13228	7.3
149.14439	0.5
150.10027	0.4
151.11150	6.1
151.12286	0.5
153.09085	1.0
153.28230	0.3
158.10896	0.5
163.03880	0.4
163.14871	1.5
165.12721	100.0
166.13068	3.0
167.06966	0.3
167.14355	1.6
173.13248	1.8
177.05444	0.6
191.07021	0.3
191.14294	3.5
209.04385	0.3
209.15332	38.0
210.15669	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01852	1.3
55.05511	6.8
57.07060	1.9
59.04973	1.3
67.05489	8.8
68.34534	1.1
69.03155	1.0
69.03426	10.4
69.07063	13.5
69.94048	5.5
69.94464	1.6
71.04990	7.3
79.05481	6.8
81.07047	16.3
83.04972	11.9
83.08604	3.8
85.06545	1.8
91.05466	8.1
92.33610	1.0
93.07033	10.3
95.04972	5.1
95.08596	26.5
97.06535	6.2
99.08081	2.4
105.07010	10.2
107.08586	37.4
107.09328	1.8
109.06498	9.9
109.10145	11.2
109.76449	1.0
111.08048	3.6
113.09659	1.2
117.07028	1.3
119.08578	5.7
121.06482	7.2
121.10135	31.2
123.08073	5.6
123.11701	4.2
125.09599	8.2
131.08536	5.3
133.10120	11.7
134.10677	1.1
135.08057	9.4
135.11682	4.9
137.09630	3.1
139.11165	4.2
143.08562	2.3
145.10129	2.1
147.01895	0.9
147.11705	6.4
149.09619	10.2
149.13234	16.3
151.11168	100.0
152.11534	2.7
153.09164	1.3
158.10883	3.6
163.14799	7.2
165.12735	5.3
173.13248	12.3
191.14299	33.3
209.15335	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	209.1533
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03933	3.3
55.01857	7.1
55.05504	73.9
57.03425	2.8
57.07060	3.5
59.04989	3.8
60.18350	1.6
62.33055	1.5
65.03925	2.1
67.05497	14.2
67.51603	1.4
69.03421	8.5
69.07059	9.8
69.96918	8.4
71.04967	4.8
79.05483	11.3
80.80706	1.5
81.03378	3.1
81.07048	22.7
83.04971	100.0
83.08608	39.9
85.02857	2.6
85.06535	3.7
91.05461	10.4
93.07037	18.9
95.04955	47.9
95.08591	13.6
95.44874	2.0
97.02897	3.6
97.06521	9.8
97.10141	7.1
99.04427	7.1
99.08081	2.3
100.17153	1.7
103.05455	2.6
105.07032	9.1
106.04160	3.3
107.04925	3.8
107.08571	26.6
109.06499	13.8
109.09499	2.2
109.10149	21.2
111.04462	2.7
111.08051	12.2
113.09634	2.2
113.93096	1.5
117.07008	2.3
118.73419	1.8
119.04931	2.0
119.08544	3.5
121.06501	9.8
121.10122	15.4
123.08057	3.5
123.11695	12.6
125.09640	13.4
131.04916	3.3
131.08575	3.4
133.10120	10.6
135.04381	1.6
135.08037	3.8
135.11671	5.0
137.09569	3.7
139.07452	2.0
145.10066	4.2
149.05978	6.7
149.09579	3.2
149.13255	12.8
151.11150	35.8
152.11446	1.5
153.09068	13.0
158.10832	1.9
163.11157	5.0
165.12740	3.7
167.14297	73.9
173.13206	3.5
177.05440	5.7
179.08531	2.5
181.08601	2.6
181.10162	2.4
191.03328	2.0
191.06929	2.3
191.10628	1.9
191.14317	7.7
194.10794	2.2
209.04424	14.8
209.07918	3.0
209.09639	4.6
209.11481	2.8
209.13330	4.7
209.15314	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07586	2.1
53.03922	3.2
55.01856	11.8
55.05270	2.4
55.05502	27.7
56.03030	1.9
57.03422	7.2
57.07060	8.8
59.04979	5.0
61.22052	2.2
65.09280	1.9
67.05490	32.2
69.03403	9.3
69.06691	2.3
69.07058	37.9
69.57845	2.0
71.03395	5.4
71.04986	14.6
71.08574	1.8
78.04686	2.5
78.16330	1.9
79.05491	27.2
81.03399	4.4
81.07043	46.7
83.04966	18.5
83.08610	20.9
85.06543	10.6
91.05467	20.3
93.07027	51.1
95.04957	37.9
95.08583	35.8
97.06519	20.4
97.10140	6.2
99.04440	10.3
99.08094	4.5
100.11211	3.4
103.05450	5.4
105.07012	20.5
106.04156	7.3
107.04940	4.4
107.08579	53.4
109.06501	68.2
109.10135	33.4
111.08076	10.5
111.11722	1.8
113.09610	2.1
113.98429	2.1
115.07513	1.9
117.07006	8.4
119.08552	16.7
121.06483	19.6
121.10137	39.7
123.08058	14.4
123.11681	9.3
125.09641	10.8
131.05000	2.7
131.08557	16.1
133.10115	25.4
135.08018	15.0
135.11702	14.9
137.09581	2.5
139.07509	3.0
139.11101	2.1
145.10075	11.0
147.08012	5.0
147.11662	43.2
149.05978	11.6
149.09593	36.4
149.13235	27.4
151.11183	14.4
153.09096	19.1
158.10825	5.3
161.09566	2.5
163.03833	3.5
163.07387	2.3
163.11185	5.0
163.14795	7.6
165.12721	5.1
167.14291	8.0
173.13260	24.5
176.11961	2.3
177.05447	7.0
181.08493	3.3
191.10616	3.8
191.14284	100.0
209.04404	4.3
209.08014	4.8
209.11702	3.5
209.15332	40.3
209.18864	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	209.1533
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
51.85755	1.1
53.03920	3.4
55.01861	2.5
55.05502	72.6
57.03424	2.0
57.07056	2.1
59.04979	4.6
67.05496	9.3
69.03408	5.3
69.07048	6.7
70.56223	4.4
71.04985	3.8
79.05482	6.2
81.07039	14.5
83.04967	100.0
83.08606	40.3
84.05289	1.2
85.06526	4.6
88.56698	1.3
90.82135	1.3
91.05473	4.1
93.07020	11.4
95.04950	31.3
95.08585	7.2
97.06512	10.5
97.10153	7.3
99.04438	4.9
99.08077	1.8
105.07020	5.7
107.08588	19.9
107.09267	2.4
109.06493	20.7
109.10138	26.3
111.08060	12.8
113.09666	1.9
119.08532	1.9
121.10107	15.6
123.08073	2.9
123.11689	13.8
125.09602	17.0
131.08565	3.1
133.10089	12.8
135.07991	2.6
135.11679	2.2
149.09529	1.7
149.13245	9.8
151.11160	41.6
153.09103	11.0
163.14738	2.3
167.14291	77.0
168.14629	2.2
173.13257	4.7
191.12730	1.2
191.14302	6.2
209.15332	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.42128	2.1
51.44604	1.7
51.98717	1.8
53.03929	2.0
55.01854	3.3
55.05502	49.7
57.03422	2.5
57.07054	7.7
58.33720	2.0
58.66514	1.8
59.04974	2.6
67.05486	14.7
68.99751	2.1
69.03420	25.1
69.07059	19.3
71.01752	4.3
71.04979	4.3
79.05477	11.8
81.07054	20.6
83.04967	50.7
83.08609	21.6
85.06533	10.6
91.05479	9.8
93.07030	24.0
94.23805	1.8
95.04946	14.0
95.08597	21.3
96.08930	1.9
97.06507	9.7
97.10160	22.7
99.04469	2.8
99.08076	10.6
100.12245	2.0
103.05397	2.3
105.07013	9.4
107.04878	4.3
107.08576	45.1
109.06510	18.0
109.10154	20.7
111.08066	10.9
113.05987	6.5
119.08540	6.0
121.06487	6.5
121.10129	31.3
123.08009	6.5
123.11668	7.4
125.05968	6.3
125.09615	100.0
126.09972	3.2
127.07509	2.5
131.08557	7.4
133.10149	13.1
134.05350	1.9
135.08047	13.9
135.11679	4.1
137.09584	5.4
139.07513	7.8
139.11125	3.2
147.11649	4.5
149.05962	2.4
149.09590	57.1
149.13220	15.2
151.11169	54.5
151.12404	2.3
153.09084	24.1
154.09842	3.1
158.10867	3.8
163.14806	11.6
167.14290	28.9
173.13254	9.4
177.05457	2.5
191.14305	31.3
209.15367	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1532
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03928	1.7
55.01843	2.9
55.05503	8.4
57.03415	4.0
57.07060	3.3
59.04974	3.5
64.64442	0.8
65.03938	1.5
67.05492	10.5
69.03413	3.0
69.07050	11.7
69.47234	1.4
69.47639	7.0
71.04982	6.3
71.98251	0.9
77.03926	0.8
79.05483	14.0
81.03429	1.1
81.07041	34.0
83.04967	7.1
83.08609	5.9
84.01797	0.8
85.06512	2.3
91.05470	11.2
93.03358	1.0
93.07034	19.6
94.07352	0.9
95.04955	45.1
95.08585	11.7
97.06517	21.6
98.21482	1.8
99.04441	8.1
99.08067	1.7
103.05489	2.0
105.07005	13.1
106.04153	4.4
107.04938	1.7
107.08575	26.0
109.06500	100.0
109.10134	21.6
110.06879	1.4
111.08057	5.9
113.09675	0.9
117.06992	2.0
119.08579	5.8
121.06487	6.1
121.10126	26.3
122.10477	2.1
123.08059	6.4
123.11688	3.2
125.05948	1.5
125.09593	4.6
126.01099	1.0
126.09132	1.0
127.09496	1.2
131.04886	1.0
131.08556	11.6
133.10115	35.7
133.11148	1.7
134.10500	0.9
135.08026	15.3
135.11682	4.6
137.09644	1.1
139.11113	1.3
143.08546	2.0
145.10114	7.1
147.07988	1.2
147.11653	8.3
149.05937	4.0
149.09608	6.4
149.13246	9.4
151.11157	6.9
153.09088	29.6
154.09447	1.3
158.10886	3.0
163.11125	2.5
163.14804	5.2
165.12743	2.4
167.07042	1.1
167.14262	3.6
173.13251	16.2
177.05450	3.1
191.14285	35.0
192.14616	1.0
209.07982	2.0
209.11781	1.6
209.13571	3.5
209.15346	28.2
210.15688	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03926	2.2
55.01850	2.9
55.05503	34.2
57.03416	2.9
57.07060	1.3
59.04986	2.2
63.57873	0.7
64.22362	0.7
65.03931	1.0
67.05496	7.8
68.44553	0.6
69.03427	4.2
69.07041	5.3
70.06538	0.6
71.04617	0.8
71.04981	8.8
71.55050	0.7
71.69135	1.3
79.05488	7.3
81.03397	1.5
81.07043	10.9
82.06549	4.5
83.04966	30.4
83.08601	18.9
83.12306	0.7
84.08136	1.1
85.06518	3.0
91.05454	6.6
93.07028	15.2
93.07586	1.3
95.04951	100.0
95.08596	5.3
95.67685	0.6
96.05270	0.8
97.06523	5.9
97.10163	3.1
99.04437	17.5
99.08083	1.4
100.11245	12.0
103.05447	0.9
105.07007	7.0
107.04981	1.6
107.08576	15.8
107.09245	1.4
109.06493	14.5
109.07201	1.1
109.10139	9.6
110.06057	1.8
111.04423	1.5
111.08068	6.5
115.07535	0.9
117.07004	2.0
119.08558	2.3
121.06499	2.5
121.10130	30.4
122.10477	0.8
123.08004	4.2
123.11667	5.6
125.09605	5.1
127.03880	1.0
127.08641	1.0
129.07028	0.6
131.04890	1.2
131.08556	4.3
133.10117	10.0
135.08061	3.9
135.11671	2.6
137.05972	0.9
139.08633	2.3
145.10130	2.5
147.11693	1.4
149.05966	2.0
149.09595	7.2
149.13213	5.3
151.07494	1.5
151.11159	14.9
153.09070	22.9
153.10258	1.2
158.10924	1.2
161.13208	0.8
163.11201	1.6
163.14809	5.7
167.07042	1.5
167.14299	24.3
173.13222	6.8
177.05492	1.4
182.72247	0.9
191.10606	1.2
191.14252	9.9
203.44728	0.6
209.04457	1.4
209.09859	0.9
209.11787	2.4
209.15132	20.7
210.15460	0.7
211.81090	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03938	4.3
55.01871	15.0
55.05506	26.6
57.03424	2.5
57.07058	7.4
59.04979	6.1
61.85950	1.7
65.03919	5.1
67.05491	21.7
69.03415	18.7
69.07054	21.6
70.03597	9.6
71.04984	12.7
75.04459	3.0
78.04703	2.9
79.05485	18.4
81.03425	4.3
81.07043	34.1
82.07331	1.7
82.46656	1.8
83.04966	36.2
83.08604	9.4
85.02898	4.6
85.06533	4.7
91.05470	30.0
92.76653	2.0
93.03382	7.0
93.07028	32.5
94.01744	1.8
95.04949	29.4
95.08590	42.3
97.06516	12.2
97.10181	3.0
99.04497	4.4
99.08082	6.7
103.05437	12.5
105.07023	16.4
106.04165	25.7
107.04927	7.4
107.08573	61.2
109.06495	18.3
109.10146	23.6
111.04420	3.9
111.08087	9.9
117.03350	4.2
117.06982	4.8
119.04932	3.1
119.08563	9.0
121.06487	33.6
121.10137	44.0
123.04442	2.3
123.08038	10.7
123.11693	11.3
125.05949	6.9
125.09612	26.3
131.04906	5.0
131.08534	8.4
133.10115	18.6
134.03609	4.6
135.04384	3.3
135.08022	22.1
135.11688	12.2
136.08716	2.3
137.05933	3.7
137.09601	5.6
139.07533	4.1
139.11102	4.1
143.08530	2.1
145.10097	8.9
147.11674	12.2
148.05177	5.5
149.05951	34.2
149.09607	16.5
149.13220	22.5
151.07541	3.6
151.11156	100.0
152.11424	2.5
153.05434	3.5
153.09045	11.5
158.10898	4.6
163.07616	4.6
163.11154	7.5
163.14786	12.1
165.12743	14.2
166.06282	2.1
167.06993	4.4
167.14323	10.2
173.13222	22.9
177.05438	23.9
179.08548	3.5
181.08583	8.0
189.15916	1.9
191.07018	5.4
191.14282	70.6
197.08917	2.2
209.04446	5.7
209.08083	16.0
209.09877	3.4
209.11708	4.0
209.15326	48.2
209.18935	3.0
221.86072	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0806
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
50.01572	1.3
51.02360	1.4
53.03933	9.2
55.01629	1.5
55.01861	16.7
55.05273	1.2
55.05503	17.3
56.96544	1.4
57.03412	3.0
57.07056	4.1
59.04985	2.6
61.02906	1.8
65.03925	12.9
66.04697	1.5
67.05196	1.7
67.05500	19.5
68.99764	2.9
69.03418	19.4
69.07054	9.7
71.04980	19.9
71.70377	1.2
73.03891	1.1
75.04463	6.6
77.03890	2.4
78.04694	11.7
79.05027	1.6
79.05484	31.7
81.03416	5.8
81.07040	21.4
82.06563	1.8
83.04968	18.8
83.08602	8.5
84.08114	1.6
85.02885	10.6
85.06516	4.3
87.04454	1.1
89.03905	7.4
89.05999	2.4
91.05463	52.7
93.03391	21.9
93.07028	44.7
95.04952	43.6
95.08595	13.2
97.02885	1.7
97.06510	16.3
97.07623	1.1
97.10137	2.8
99.04439	26.9
99.08058	3.0
100.78692	1.2
103.05453	27.9
105.03376	5.3
105.04487	3.2
105.07016	18.4
106.04155	74.8
106.98140	1.1
107.04958	15.4
107.08575	43.3
108.05717	3.2
109.02823	2.6
109.06504	26.7
109.10133	20.8
110.03631	1.8
110.07289	1.1
111.04424	5.3
111.08057	5.7
113.05929	1.6
115.05462	1.8
115.07516	1.5
116.98556	1.5
117.03347	6.3
117.06970	4.6
118.04128	2.6
118.54604	1.0
119.04927	6.7
119.08569	9.1
120.05735	1.5
121.02800	2.5
121.06485	89.4
121.10129	37.0
122.07304	1.5
123.04440	5.2
123.08046	10.2
123.11680	5.1
124.05176	2.6
125.05965	21.1
125.09591	12.1
125.92799	1.1
127.03831	1.1
127.07487	1.2
129.06964	2.0
130.07701	1.6
131.04906	19.0
131.08559	13.6
133.02805	2.0
133.06465	2.5
133.10106	19.0
134.03627	15.7
135.04410	11.2
135.08022	15.0
135.11690	6.8
137.05962	10.2
137.09584	2.1
138.06740	17.8
139.03868	1.7
139.07524	5.8
139.11186	5.8
143.08557	1.6
145.02832	8.1
145.10077	10.7
147.04366	4.9
147.11661	4.5
148.04274	1.1
148.05186	10.5
149.05956	100.0
149.09590	15.5
149.13234	29.1
150.06389	1.9
151.03842	3.6
151.07523	5.8
151.11186	12.8
152.08377	1.2
153.05492	7.2
153.09079	22.3
154.06236	2.0
158.10875	3.8
159.04387	9.4
162.03004	1.3
163.03877	5.8
163.07494	7.4
163.11139	7.4
163.14787	4.3
165.05481	2.5
165.06813	1.4
165.12737	3.1
166.06310	5.4
167.07024	13.9
167.10605	1.3
167.14305	11.1
173.09590	3.3
173.13248	16.3
176.04686	3.3
177.05440	75.9
179.06912	1.1
181.04845	2.4
181.08583	16.9
181.10033	1.9
181.12041	1.1
182.09305	3.1
191.03314	2.4
191.06961	10.2
191.08278	1.1
191.10655	7.8
191.14291	18.0
193.04839	1.2
194.02084	1.4
194.05719	3.3
209.04475	13.4
209.08011	31.3
209.09735	3.3
209.11353	8.0
209.15326	45.2
210.11105	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0806
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02365	1.6
51.42242	1.3
53.03936	10.2
55.01867	16.1
55.05503	9.6
57.02241	1.3
57.03420	2.2
57.07057	2.5
65.03938	17.7
67.05486	9.8
69.03405	2.2
69.07056	11.2
69.82781	4.8
69.83193	2.9
71.04968	4.1
71.55297	1.1
75.04472	12.5
77.03905	1.5
78.04704	14.2
79.05476	10.8
81.03382	2.7
81.07054	9.9
83.04977	10.0
83.08604	3.9
85.02895	9.9
85.06528	2.4
89.03892	6.0
91.05466	52.9
93.03390	29.4
93.07032	22.1
95.04956	29.8
95.08584	7.5
97.06515	16.7
98.21397	2.4
99.04454	2.1
99.08105	1.9
103.05454	24.0
105.03398	1.7
105.04482	1.5
105.07017	5.4
106.04160	85.8
107.04956	6.6
107.08572	8.4
108.05725	2.6
109.06505	9.4
109.10143	5.5
111.04475	2.7
111.08064	3.3
114.01617	1.2
117.03380	5.2
119.04922	5.6
119.08524	1.7
121.06487	86.3
121.10103	7.2
122.07289	1.7
123.04417	4.6
123.08046	4.7
123.11706	1.8
124.05162	2.1
125.05978	24.0
125.09608	3.1
130.62909	1.4
131.04901	5.9
131.05952	1.4
131.08582	2.6
133.02831	2.9
133.06529	1.9
133.10156	3.3
134.03607	11.4
135.04393	4.8
135.08035	5.3
135.11687	3.3
137.05981	11.1
138.06747	4.3
139.07532	7.4
145.02818	6.9
145.10077	1.6
147.04404	1.9
147.11684	1.4
148.05170	9.4
149.05959	100.0
149.13242	4.8
150.06375	1.4
151.03897	3.2
151.07518	5.7
151.11176	5.6
152.08232	2.3
153.05499	7.5
153.06610	1.2
153.07074	1.4
153.09079	23.4
159.04427	2.1
163.07509	5.6
163.11183	1.5
163.14810	2.9
165.05518	2.1
165.12772	3.5
166.06233	5.4
167.06955	1.8
167.14301	4.8
173.13268	2.6
177.05446	43.9
179.08525	3.5
181.08594	17.9
190.48270	1.3
191.07051	6.6
191.14308	6.5
194.05734	2.0
194.10971	2.6
209.04449	8.6
209.08046	19.0
209.09854	2.2
209.13225	6.0
209.15332	9.1
209.19046	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0804
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02349	1.2
53.03945	8.0
55.01862	23.7
55.05237	1.7
55.05502	30.7
57.03416	4.1
57.07070	3.0
59.04967	1.8
65.03928	13.8
67.05185	1.6
67.05492	19.7
69.03408	5.9
69.07057	35.7
71.04973	5.0
71.70062	2.6
75.04456	8.9
77.03905	2.3
78.04700	12.8
79.05473	20.3
81.03391	3.4
81.07042	21.7
82.04207	1.7
83.04964	30.5
83.08612	13.8
85.02878	9.0
85.06523	4.6
89.03885	5.4
89.05999	2.8
91.05461	55.3
93.03385	28.6
93.07032	33.9
94.98708	1.3
95.04952	49.3
95.08002	1.7
95.08585	21.7
97.06510	16.9
97.10137	4.9
99.04417	4.4
99.08090	3.8
103.05447	23.3
104.94987	1.3
105.03342	3.5
105.04453	1.4
105.07017	7.0
106.04155	78.9
107.04937	7.0
107.08580	18.8
109.06494	12.6
109.10139	13.7
110.03596	1.8
111.04398	4.4
111.08058	6.3
111.11698	2.2
113.09611	1.6
117.03349	5.2
117.07008	2.3
118.04166	1.6
119.04915	4.9
119.08546	4.1
120.05738	1.7
121.06487	83.5
121.10119	16.8
122.03577	1.7
122.07261	2.0
123.04398	4.2
123.08092	7.9
123.11672	7.2
124.05171	3.3
125.05969	24.8
125.09609	9.7
131.04935	6.8
131.05835	1.7
131.08528	4.1
133.02821	2.3
133.10118	7.3
134.03612	14.6
135.04391	3.3
135.08032	6.3
135.11667	5.5
136.05223	2.0
137.05952	10.8
138.06747	5.1
139.07559	6.7
139.11154	3.5
140.42142	1.4
145.02818	7.6
145.10065	3.6
145.14052	1.4
147.04361	3.2
147.11633	2.6
148.05170	9.5
149.05952	100.0
149.09578	4.1
149.13254	7.8
151.03873	2.6
151.07518	4.2
151.11153	14.5
152.04645	1.5
153.05513	7.1
153.09076	22.8
153.97293	1.2
158.10847	1.2
159.04387	2.4
162.03108	2.2
163.03865	2.4
163.07466	6.1
163.11148	3.9
163.14781	5.1
165.05405	1.7
165.12729	9.7
166.06267	3.1
167.07039	2.3
167.14297	19.3
173.13251	5.8
176.04630	2.2
177.05444	41.4
179.08563	2.1
180.07724	2.2
181.04948	1.4
181.08566	20.4
181.10089	2.0
184.83293	1.1
191.06949	6.7
191.10693	2.0
191.14278	8.7
194.05711	1.5
194.10904	1.5
209.04306	2.3
209.06186	2.7
209.08023	21.9
209.09782	2.8
209.11406	1.7
209.13330	4.3
209.15334	21.6
209.18912	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	208.1329
Annotation	1-Methyl-corypalline
Peak:m/z	Relative Intensity
55.01856	0.4
55.05492	0.8
56.05023	0.6
56.96539	0.7
57.07051	0.7
57.31116	0.3
60.04494	0.5
61.67134	0.3
65.03907	0.6
65.05151	0.3
67.05488	0.9
68.05000	0.4
69.03401	0.7
70.06573	0.9
70.71951	0.3
71.04957	0.3
71.51739	0.3
71.70621	0.4
75.36159	0.3
79.05478	1.7
80.05019	0.4
81.03381	0.9
81.03817	0.5
81.07019	1.0
83.04948	0.6
84.04480	0.5
86.09686	0.3
91.05468	2.6
93.07033	2.2
94.06545	0.5
95.04939	1.4
95.08588	0.4
97.02870	0.6
98.97582	0.9
103.05447	1.8
105.06999	1.1
106.06541	0.9
107.04950	1.4
107.08586	0.9
108.08109	0.3
109.06490	1.0
109.10100	0.4
111.04427	0.6
111.08055	0.3
111.09187	0.4
112.07531	0.3
116.98611	0.6
117.06998	0.9
118.06525	0.7
119.04913	0.9
119.07345	0.3
119.08566	0.3
120.04456	0.4
120.08092	1.7
120.08829	0.4
121.06501	2.0
121.07341	0.3
121.10114	0.4
123.04357	0.4
123.08018	0.4
123.09203	0.5
124.07577	0.4
131.04926	2.4
131.07208	0.3
134.05984	0.7
134.06969	0.4
134.09624	1.4
135.04391	0.7
135.08044	0.6
137.05934	0.9
137.09578	0.8
138.09061	0.4
138.57510	0.3
144.08078	0.7
146.09630	10.2
148.07515	0.9
149.05937	2.0
149.08282	0.8
149.09441	0.5
153.05492	0.4
153.09071	0.5
161.97292	0.4
162.05452	0.8
162.09108	1.5
163.03925	0.5
163.07480	1.3
164.06993	0.4
164.10681	17.9
165.04178	0.5
166.08585	0.7
175.30106	0.3
177.05467	1.2
177.11469	0.5
179.06845	0.4
180.06535	0.8
180.10216	0.7
180.31097	0.4
190.08618	0.9
190.12157	2.1
191.06999	0.6
192.10233	0.6
193.10945	0.5
193.15813	0.8
208.09767	3.9
208.13293	100.0
209.04353	0.9
209.08017	1.5
209.13611	2.2
209.15329	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0965
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
53.03936	7.0
55.01857	8.0
55.05489	9.1
56.05021	11.1
56.96547	2.7
57.07060	3.1
57.09314	2.3
58.06595	3.5
63.68098	2.5
65.03934	5.8
67.05489	9.3
68.05000	3.6
69.03428	11.8
69.78816	5.3
69.79234	14.4
70.06575	3.6
72.08131	3.8
72.75272	3.5
73.19040	2.5
74.95853	2.3
79.05485	33.5
80.04979	4.5
80.12752	2.7
81.03398	10.1
81.07037	24.8
82.06555	6.7
83.04952	6.3
83.06031	2.6
84.04482	7.4
84.08125	4.3
85.02876	3.3
86.14603	2.2
91.05454	50.7
92.05767	4.3
93.05793	3.7
93.07030	31.4
94.06556	17.9
94.07112	2.6
95.01274	2.8
95.04948	27.7
95.08576	6.9
96.04443	2.8
96.08121	10.2
96.08801	2.6
97.02861	12.0
97.06512	8.7
98.06038	3.0
98.21350	5.8
99.04438	3.8
103.05436	10.0
105.04501	3.5
105.07007	13.3
106.06535	13.5
106.07276	5.1
107.04942	13.7
107.08534	13.3
108.04427	5.1
108.08134	12.1
109.06502	37.4
109.10172	2.9
110.06029	6.0
110.09652	7.0
111.04419	6.3
111.08066	3.7
115.05408	8.5
117.05737	5.1
117.06976	15.9
118.06512	11.6
119.04926	18.3
119.07294	9.3
119.08565	4.5
120.04437	3.6
120.05649	3.2
120.08100	23.0
121.06479	59.0
121.07400	3.6
121.10117	9.7
122.06020	12.2
122.06853	2.9
122.09625	4.2
123.04405	32.2
123.08065	5.0
123.09074	2.6
124.07571	16.5
124.11213	8.6
125.05987	3.9
125.09578	2.8
131.04935	5.9
131.07283	3.5
132.07980	5.5
134.03647	3.8
134.05977	16.1
134.09615	45.0
134.10550	2.9
135.04401	10.3
135.06966	2.7
135.08061	12.6
136.07553	19.6
137.05963	30.3
137.08270	5.5
137.09579	4.8
138.05452	5.0
138.09116	10.9
144.06453	3.7
144.08066	9.9
145.06456	12.3
146.05986	10.8
147.04387	12.0
147.06763	21.9
148.05156	7.1
148.07498	17.7
149.04701	4.3
149.05956	64.5
149.09573	3.0
150.09111	6.1
150.10225	3.7
152.06982	4.0
152.10693	26.4
160.07588	4.5
161.08298	7.0
162.05446	10.3
162.06555	4.8
162.09111	100.0
163.03888	12.5
163.07513	20.4
164.07007	10.8
165.05449	15.4
165.07767	8.7
166.08629	22.2
167.07057	3.1
167.14317	2.8
173.05952	11.7
175.06274	6.5
179.09389	2.7
180.06461	4.9
180.10150	40.2
190.04895	3.5
190.08607	72.6
191.06978	35.9
191.14264	3.7
193.15887	5.7
208.06126	7.1
208.09673	71.5
208.13449	4.5
208.15498	3.6
209.04411	9.9
209.09859	3.4
209.15334	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	208.049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.9
55.01850	6.0
55.05499	2.1
56.01652	1.6
56.05010	2.5
56.96302	2.7
56.96558	41.4
57.03426	2.0
57.07049	3.6
58.42292	1.5
60.04528	1.6
61.02921	4.5
61.31367	1.6
65.03917	6.0
67.05488	9.1
68.05035	2.1
69.03423	10.0
69.03738	1.6
69.07037	2.2
70.06583	5.2
71.04978	2.3
71.69544	2.3
71.95258	4.9
72.08126	2.5
73.02893	4.9
79.05482	44.9
80.04963	1.7
81.03401	7.6
81.07046	12.9
82.06598	2.0
83.04950	4.2
84.04506	2.3
84.56922	1.8
84.96024	2.5
85.02912	8.4
91.05470	46.1
92.05781	4.8
93.07034	21.8
94.06562	1.8
95.04944	7.8
95.08580	4.9
96.05623	1.7
97.02869	10.3
97.06481	4.3
97.07643	2.2
98.05974	1.9
98.97567	100.0
103.05453	9.6
105.07021	43.3
106.06568	3.2
106.07357	5.1
107.04961	9.8
107.08574	39.5
108.08154	2.9
108.08890	3.4
109.02283	3.2
109.06496	6.9
109.10137	2.2
110.01289	3.4
110.97542	2.9
111.09201	3.4
115.05451	29.8
116.05758	2.8
116.98605	90.3
117.07005	51.6
118.06549	2.2
118.07333	5.9
119.01775	2.6
119.04935	3.9
120.08081	6.2
121.06480	12.5
122.06006	2.7
123.08045	7.3
123.09148	1.8
128.02304	11.1
128.98579	8.9
131.04942	16.9
132.08003	2.5
133.06482	15.1
134.05998	2.7
134.09599	5.1
134.99644	63.7
135.08022	22.8
136.07462	2.4
136.08369	2.7
137.02817	7.2
137.05951	3.2
137.09595	3.9
140.00142	4.6
143.00133	2.2
144.08032	2.6
145.06305	2.3
146.05988	3.6
146.99637	13.3
148.07452	2.6
148.11949	2.2
149.05959	14.7
151.07491	4.9
153.00684	7.1
157.03342	2.3
158.01201	3.9
158.99632	41.0
160.00020	3.1
161.01160	2.7
161.05928	3.0
162.05417	2.7
162.09081	9.5
162.17491	1.7
162.99129	3.4
163.07439	2.5
164.10652	4.4
165.00742	2.1
166.08626	3.2
167.06953	2.0
170.99690	2.6
172.03906	3.3
172.07565	2.2
176.10684	2.6
177.00699	67.0
177.02269	3.3
177.05420	6.2
178.01067	2.4
178.03879	2.3
178.06024	1.9
179.06999	7.4
180.10179	3.3
186.05257	1.9
189.00694	6.1
190.07097	3.2
190.08635	6.0
193.15826	5.4
195.01711	5.1
199.02773	6.9
200.02301	5.5
208.06264	5.1
208.09642	15.5
208.13220	19.3
208.15411	2.4
208.17712	1.8
209.07976	2.2
211.02748	2.0
219.01729	6.4
223.02768	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1739
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03928	2.2
54.27844	0.9
55.00312	0.9
55.01851	1.1
55.05498	8.5
57.03409	2.9
57.07055	3.6
67.05488	12.8
69.03393	1.5
69.07055	12.2
71.04955	2.0
79.05482	11.5
81.06610	1.3
81.07044	19.5
83.04948	2.6
83.08598	3.7
85.02892	0.9
85.06535	5.2
91.05460	15.4
93.06438	1.3
93.07030	38.0
95.04953	3.4
95.08588	41.0
95.09198	2.0
97.06506	1.3
99.08063	1.1
105.06453	1.0
105.07007	32.0
107.08573	67.1
108.08908	1.1
109.06501	6.4
109.10135	18.3
111.08030	2.7
113.09635	1.7
117.07011	2.2
119.04886	1.0
119.08554	49.1
120.09382	1.0
121.06496	1.3
121.10103	11.6
123.08050	9.1
123.11689	8.8
125.09610	1.4
127.07514	1.7
131.08511	3.5
133.09064	1.8
133.10098	51.5
135.11667	100.0
136.11960	2.0
137.09619	11.2
137.13251	2.7
145.10106	4.3
146.10773	1.1
147.11658	33.5
149.09679	2.0
149.12245	1.2
149.13245	11.5
151.11165	16.4
159.11694	1.6
160.12367	1.1
161.13264	8.9
163.14801	11.1
165.12675	3.6
171.11583	1.4
189.16353	86.6
190.16701	3.0
192.09320	1.4
207.06448	2.9
207.11673	3.1
207.13826	3.7
207.17406	53.3
208.17810	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1741
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03940	2.1
55.05505	9.7
57.03415	4.8
57.07056	3.8
59.05008	1.4
67.05495	14.8
69.03408	1.8
69.07061	14.0
69.78814	8.3
71.04966	2.2
79.05483	13.5
81.07044	24.0
83.04971	4.7
83.08601	5.2
85.06542	5.7
86.82710	1.1
91.05461	18.9
92.05749	1.2
93.07033	43.2
95.04949	4.5
95.08000	2.4
95.08589	38.7
96.08973	1.3
97.06512	2.5
97.10156	1.6
98.20621	1.3
99.36918	1.2
100.16384	1.2
103.05437	1.3
105.07014	35.8
107.08578	69.6
108.08904	2.0
109.05848	1.2
109.06483	6.3
109.10141	19.8
109.72226	1.1
111.08057	4.7
117.07037	2.1
119.08563	55.8
121.10128	16.6
123.08042	9.5
123.11678	9.9
125.09655	1.5
127.07549	1.8
128.85461	1.4
131.08531	2.3
133.10112	56.1
135.11671	100.0
136.11980	2.8
137.09589	12.4
137.13168	2.0
145.10104	4.8
147.04369	2.0
147.11667	40.4
149.09641	2.2
149.13222	12.2
151.07498	1.4
151.11163	17.0
159.11623	1.9
161.05917	1.4
161.13254	8.0
163.03966	1.2
163.14799	16.8
165.12781	2.9
171.11603	2.4
177.16397	1.3
189.12772	3.2
189.16359	94.9
190.16737	3.5
192.09308	3.4
207.02789	1.4
207.06454	3.3
207.11780	3.1
207.13832	5.9
207.17418	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1739
Annotation	alpha-Irone
Peak:m/z	Relative Intensity
53.03922	1.4
55.01859	0.6
55.05503	7.3
57.07060	1.9
59.04975	1.0
64.48844	0.5
65.03919	0.8
67.05492	26.5
69.03419	1.1
69.07059	9.5
71.04977	1.1
71.71378	0.7
77.03909	0.5
79.05471	6.5
80.02327	0.5
81.03390	1.0
81.07040	13.2
83.04960	1.4
83.08594	2.3
85.06519	1.3
87.89256	0.5
91.05467	8.3
93.07025	15.4
93.07586	1.0
95.04951	6.5
95.08585	100.0
96.08936	1.4
97.06498	1.0
97.10108	0.6
103.05417	1.0
105.07005	13.4
107.04940	0.7
107.08575	12.9
109.06493	18.9
109.10136	8.1
111.08071	2.1
115.96357	0.6
119.04864	0.9
119.08552	13.0
121.10118	5.1
122.66676	0.5
122.67685	0.5
123.08016	4.9
123.11671	4.3
129.06975	1.0
131.08528	0.8
133.06474	0.9
133.10101	11.6
135.11662	4.3
137.05913	0.6
137.09613	3.2
137.13208	0.7
145.10106	1.5
147.07970	0.8
147.11656	10.7
149.09625	3.0
149.13229	2.7
151.07492	0.7
151.11162	4.6
158.16533	0.6
161.05904	0.9
161.09604	0.8
161.13225	5.0
163.14757	4.1
164.96214	0.5
165.12733	1.2
171.11734	0.6
177.16411	0.5
189.05424	0.8
189.09006	0.6
189.12723	2.1
189.16373	12.4
190.16835	0.5
192.09326	1.8
207.02922	0.8
207.06398	3.4
207.11627	2.2
207.13786	5.2
207.17418	17.3
207.19312	1.1
208.11319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.174
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03924	2.5
53.05895	0.8
55.01851	1.3
55.05505	8.2
55.59418	0.9
57.03425	4.4
57.07063	5.5
64.51598	0.8
65.03924	1.1
67.05495	20.1
69.03410	1.7
69.06728	1.2
69.07059	12.2
71.04975	3.4
71.07320	1.6
71.07635	1.2
71.10050	0.8
79.05479	16.7
81.03409	1.2
81.07045	23.3
81.17467	0.9
83.04960	4.1
83.08593	3.7
85.02888	1.0
85.06536	5.9
89.50953	0.9
89.80504	0.9
91.04926	1.6
91.05463	25.3
93.07033	46.3
95.04954	6.9
95.08591	35.6
96.08935	1.1
97.06511	2.5
97.10118	1.7
99.08080	2.3
103.44344	0.9
105.07015	34.5
107.08578	61.9
108.08858	1.0
109.06520	7.6
109.10143	17.3
111.08048	3.3
115.05411	0.9
115.96397	2.2
116.86750	0.9
116.97198	1.5
117.06982	2.1
119.04918	1.6
119.08566	46.4
121.06486	1.1
121.10120	13.9
123.08061	9.5
123.11697	9.0
125.09621	1.0
127.07511	1.7
129.06996	2.2
131.08521	2.8
133.10115	45.9
133.97449	1.2
135.11673	100.0
136.05151	1.0
136.11990	2.6
137.05782	0.9
137.09599	11.2
137.13255	2.0
139.84300	1.1
143.08516	1.4
145.10069	4.3
146.10918	1.1
147.04433	2.1
147.08029	1.5
147.11665	44.0
148.12033	1.4
149.02339	1.6
149.09592	1.3
149.13234	10.5
150.80655	0.9
151.07468	1.9
151.11172	14.0
159.11714	1.2
160.12433	1.5
161.09686	1.6
161.13254	7.8
163.14807	15.1
164.04744	1.6
165.12694	3.5
171.11671	4.8
174.14037	1.0
175.03880	1.3
179.06989	1.6
189.12799	4.6
189.16357	74.9
190.16724	2.9
192.04300	0.8
192.09387	1.0
207.06470	7.3
207.09758	1.0
207.11766	2.3
207.13786	10.6
207.17415	49.9
208.17726	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.174
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03922	4.2
55.01854	4.0
55.05505	15.5
57.03428	4.7
57.07053	5.0
59.05004	2.5
67.05495	28.3
69.03390	5.4
69.07060	17.8
70.08484	5.7
70.08878	5.8
71.04967	6.9
74.48939	2.2
79.05482	28.8
81.03398	2.3
81.07043	34.7
82.68217	2.4
83.04958	5.1
83.08601	6.4
85.02895	3.6
85.06532	8.5
88.38856	2.3
91.05462	37.6
93.07032	61.6
95.04972	12.1
95.08600	58.1
97.06499	5.7
98.21374	3.1
101.60799	2.3
103.05476	4.0
105.07014	49.6
107.04935	2.5
107.08585	74.5
109.02918	2.5
109.06507	12.4
109.10139	18.5
111.08073	3.4
115.05440	2.7
115.96408	2.4
117.07005	5.6
119.04916	6.9
119.08572	61.1
120.08067	3.0
121.06477	3.3
121.10111	18.6
123.08053	13.7
123.11670	11.3
125.09628	3.1
127.07539	2.7
129.06979	5.4
131.08528	6.0
133.10117	51.2
135.11670	100.0
136.11992	3.2
137.09592	12.1
143.08574	3.9
145.10086	9.7
147.04393	8.2
147.11662	67.7
149.09587	9.9
149.13257	12.8
149.20493	2.7
151.07538	2.2
151.11189	17.8
157.22479	2.4
161.05949	4.0
161.09593	3.7
161.13225	13.6
163.11038	3.1
163.14810	16.2
165.12711	4.9
171.11661	11.3
179.06996	4.4
189.12784	11.7
189.16370	91.6
192.09305	4.5
207.03035	3.2
207.06447	21.8
207.09848	5.2
207.11685	10.8
207.13782	27.3
207.17416	68.7
208.09520	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	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03929	3.4
54.64176	1.5
55.01861	3.5
55.05501	16.1
55.40056	1.4
57.03402	2.7
57.07059	3.6
59.04969	3.7
67.05490	16.3
69.03429	13.4
69.07062	10.2
71.04977	8.8
71.26066	3.5
79.05474	13.1
81.07043	18.8
83.04962	8.3
83.08601	4.2
85.02892	18.9
85.06529	20.1
91.05465	26.7
93.07027	21.4
95.04488	1.8
95.04965	18.5
95.08582	28.9
97.06512	25.5
99.04428	3.7
99.08044	2.2
103.05412	2.2
105.07013	28.3
107.04932	1.7
107.08575	35.3
109.06499	100.0
109.10139	13.2
111.08064	70.5
113.05986	3.5
115.05405	1.6
117.06991	5.1
119.04901	8.2
119.08563	35.6
121.06486	20.0
121.10127	26.6
122.07249	2.0
123.04353	2.1
123.08047	40.2
123.11679	17.9
129.06979	2.9
131.08543	6.3
133.06482	7.7
133.10109	22.2
135.08003	7.1
135.11667	4.9
137.05949	2.6
137.09604	13.2
137.13193	6.9
141.06894	2.3
143.08542	5.8
145.10095	6.7
147.04372	7.6
147.08044	12.0
147.11661	51.9
149.09596	45.5
151.07501	19.0
151.11183	1.9
156.09293	14.3
159.08022	6.9
159.11630	1.6
160.08807	2.2
161.05951	4.7
161.09564	11.0
161.13235	18.1
163.07521	2.4
163.11172	10.6
164.08299	8.1
165.09096	11.8
165.12735	30.5
171.11662	24.3
174.03148	2.4
174.10391	16.6
175.03954	7.6
177.09064	3.3
179.10634	3.6
179.14275	2.5
189.05412	2.3
189.09097	2.1
189.12712	48.5
189.16389	2.7
192.04280	2.2
207.06468	11.2
207.10072	4.4
207.13770	74.2
207.17429	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	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03930	5.0
53.58020	1.7
55.01852	6.8
55.05278	1.7
55.05507	18.9
57.03427	2.7
57.07045	5.7
59.04966	2.4
61.18813	1.5
65.03915	5.8
67.05495	33.0
69.03419	33.9
69.07058	21.8
69.44578	16.3
71.04987	8.6
77.03892	2.5
79.05479	23.0
81.03403	9.7
81.07037	28.5
83.01318	1.9
83.04970	20.3
83.08588	5.6
85.02865	5.4
85.06512	3.5
88.90926	1.5
88.93378	1.6
91.04921	2.8
91.05466	56.2
93.07030	26.4
95.04960	22.0
95.08011	2.6
95.08589	35.7
97.02854	1.8
97.06523	12.0
99.04441	4.0
103.05439	5.0
105.06336	2.6
105.07018	48.5
107.04961	8.2
107.08575	39.2
108.05663	1.9
109.06495	21.3
109.10137	13.3
110.07256	3.0
111.04409	2.4
111.08062	8.6
115.05434	3.4
117.07013	4.2
118.04154	2.1
119.04926	31.7
119.08564	53.8
121.06491	12.3
121.10133	35.0
121.44268	1.6
123.04409	22.2
123.08050	40.3
123.11678	7.1
124.08820	1.6
125.05962	6.7
125.09624	14.4
128.06187	4.4
129.07022	4.1
131.04950	1.6
131.08572	8.6
132.02048	2.4
133.06482	9.8
133.10110	44.2
135.04402	2.3
135.08026	27.3
135.11676	5.9
136.05212	2.5
137.05957	12.5
137.09579	22.2
137.13217	2.6
139.07487	2.3
141.06979	2.8
143.08521	7.1
145.06404	2.0
145.10121	8.3
146.03586	3.8
146.07249	2.5
146.10849	1.9
147.04388	26.8
147.08020	13.4
147.11659	38.6
149.02325	7.7
149.09595	56.8
149.13223	2.2
151.07535	16.4
151.11115	5.5
153.09120	12.1
156.09395	8.8
157.03947	2.3
159.08012	4.4
159.11639	4.2
161.05934	7.2
161.08037	1.4
161.09575	8.2
161.13231	26.9
163.03938	2.2
163.11137	12.7
164.04626	10.8
165.09055	3.8
165.12735	18.4
171.11632	11.3
174.03091	3.2
174.10402	5.8
175.03903	18.2
179.07036	7.8
179.10826	2.2
179.14360	7.6
189.05437	3.8
189.09033	5.6
189.12720	38.6
189.16331	2.1
192.04166	9.1
207.06485	37.0
207.10178	5.0
207.13776	100.0
207.17137	3.7
208.06776	1.8
208.13641	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02371	1.2
53.03937	8.0
55.01863	3.3
55.05270	0.8
55.05507	9.4
57.03419	1.1
57.07065	0.8
59.04973	0.7
65.03922	3.2
67.05497	28.3
68.99789	0.8
69.03416	1.7
69.07056	10.0
69.62052	1.6
69.62463	4.1
70.44941	0.6
71.04977	3.9
73.06538	1.0
77.03909	1.4
79.05483	51.1
80.05808	1.2
81.03414	3.6
81.07048	26.0
82.07379	0.9
83.04974	4.7
83.08604	3.5
85.02863	1.1
85.06515	2.6
87.10502	0.7
89.03883	0.8
91.05466	71.9
92.05775	0.9
93.07030	100.0
94.07368	1.8
95.04956	21.7
95.08589	15.8
97.06520	2.2
97.10165	1.6
97.52812	0.6
99.04436	0.7
103.05453	2.7
105.03414	1.0
105.04493	2.9
105.07014	34.4
107.04940	3.3
107.08586	15.3
108.05757	1.3
109.06508	6.1
109.10149	3.4
109.29636	0.7
111.04410	0.8
111.08065	1.0
115.05420	1.5
117.07023	5.2
118.04144	2.0
119.04147	1.3
119.04926	13.9
119.08566	24.0
121.02836	1.3
121.06489	3.6
121.10120	4.0
123.04396	2.6
123.08070	6.2
123.11702	2.5
123.59446	0.6
125.09612	0.8
127.07558	1.4
128.06197	2.4
129.06979	9.8
131.04912	1.3
131.08566	2.8
133.06477	2.8
133.10117	10.5
135.04451	0.7
135.08008	0.7
135.11684	3.5
136.05180	4.9
137.05946	1.9
137.09607	1.2
143.08531	6.7
145.10094	9.4
146.03627	3.4
147.04398	12.7
147.08080	3.1
147.11665	65.5
148.12027	2.2
149.02318	8.5
149.05931	1.2
149.09576	3.0
149.13245	1.5
151.07541	6.6
151.11102	0.7
156.09303	1.3
159.11679	1.0
161.05951	2.0
161.09618	5.0
161.13246	9.6
163.03905	2.8
164.04669	12.0
165.05461	2.9
165.09137	1.0
165.12733	2.0
171.11664	20.3
174.03069	3.3
175.03880	5.8
177.05391	1.1
179.07014	9.0
180.70589	0.7
189.05305	0.8
189.12718	14.6
189.16396	6.0
191.03310	1.0
192.04099	4.5
207.03175	1.0
207.06500	26.6
207.10205	2.1
207.11871	1.1
207.13760	24.4
207.17336	3.9
208.06818	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03942	1.0
54.37376	0.5
55.01857	0.7
55.05495	2.5
57.03413	1.1
57.07066	0.9
59.04992	3.4
60.36987	0.6
67.05500	4.6
69.03426	5.3
69.07053	2.1
71.04990	5.1
71.46147	1.3
79.05489	6.3
81.03429	0.8
81.07037	4.0
83.04987	5.1
85.02882	0.6
85.06523	1.2
91.05467	7.6
93.07037	10.5
95.04968	2.3
95.08604	6.2
97.06535	2.0
101.05997	0.7
103.05477	1.1
105.07013	15.9
107.04976	1.6
107.07912	1.1
107.08591	15.5
109.06522	6.3
109.10167	1.3
110.72486	0.7
111.08070	1.7
117.07008	2.0
119.04939	3.6
119.08568	12.1
121.06512	4.5
121.09258	0.9
121.10133	14.4
123.08048	17.8
123.11671	3.1
128.06213	0.7
129.07030	1.1
130.07806	0.9
131.08531	3.1
133.06541	3.3
133.10109	5.3
135.08078	1.4
135.11667	1.4
137.09583	4.5
137.13232	1.1
141.06984	0.9
143.08524	3.4
145.10104	8.1
146.10490	0.7
147.04362	1.0
147.08041	5.1
147.11674	9.5
147.49062	0.6
149.09602	100.0
150.09982	1.6
151.07532	2.9
156.09329	4.8
159.07976	1.5
160.08800	3.1
161.09633	4.1
161.13263	9.3
163.11168	26.5
165.09071	0.9
165.12750	6.9
171.11662	8.6
174.10323	2.9
175.03868	1.1
179.07063	0.7
179.14262	1.2
185.46570	0.6
189.12726	22.7
189.16360	1.6
207.06544	1.2
207.13788	63.9
207.17259	1.7
208.14032	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.38513	2.4
53.03933	3.6
54.06871	2.0
55.01849	7.5
55.05500	22.2
57.03417	7.5
57.07050	5.0
57.92814	1.9
59.08757	2.0
64.34196	2.2
65.03927	5.8
67.05504	16.1
69.03416	10.2
69.07060	20.3
69.77190	12.5
69.77603	4.0
71.04978	11.3
77.33284	2.4
79.05474	15.6
81.03397	8.7
81.07041	29.2
83.04968	25.4
83.08569	6.1
85.02892	27.3
85.06516	7.0
91.05465	55.8
92.05745	2.2
93.07036	24.5
95.04953	21.2
95.08604	25.2
97.06516	17.8
98.20786	4.0
99.04446	4.7
103.05440	6.2
105.07014	39.7
107.04935	2.8
107.08571	41.0
108.05679	3.1
109.06500	92.9
109.10155	16.6
109.34904	2.0
111.04470	2.6
111.08054	26.7
113.05849	2.1
117.06962	3.8
118.04121	2.5
119.04925	32.0
119.08560	56.6
121.06493	10.0
121.10123	52.4
123.04405	4.5
123.08049	35.7
123.11681	23.8
125.05970	2.3
125.09622	4.6
128.06229	2.8
129.06989	3.4
131.08545	11.2
132.02046	2.2
133.06477	8.4
133.07478	2.6
133.10118	21.3
135.04408	2.9
135.08049	11.8
135.11650	5.8
136.05212	4.3
137.05995	10.9
137.09595	35.8
137.13240	7.3
139.07509	2.2
143.08514	6.0
145.06451	3.2
145.10094	9.9
146.03598	6.0
147.04384	34.6
147.08043	16.4
147.11661	75.7
148.12004	3.0
149.02328	8.8
149.05936	2.3
149.09593	53.5
151.07516	28.8
151.11111	4.3
156.09315	9.4
157.03976	2.6
159.08051	13.7
160.08807	5.1
161.05920	8.3
161.09557	11.3
161.13242	38.7
163.03853	3.7
163.11121	6.4
163.44785	2.0
164.04657	12.3
165.05383	2.8
165.09045	6.8
165.12727	92.4
171.11624	16.3
174.03081	4.5
174.10368	42.6
175.03876	21.2
176.08301	2.3
179.06963	9.1
179.14268	3.6
189.05423	4.7
189.09041	3.7
189.12721	68.5
189.16386	3.7
190.12994	3.2
192.04105	12.6
207.05034	1.3
207.06485	59.4
207.10075	6.6
207.13777	100.0
207.17467	6.5
208.14178	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	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01868	0.9
55.05498	1.6
57.03396	0.5
59.04987	2.0
62.98833	0.7
63.46901	0.5
67.05489	2.2
69.03415	4.5
69.07060	1.9
71.04983	3.3
71.37160	1.2
79.05480	4.0
79.51520	0.6
81.07043	3.0
83.04963	5.5
83.08572	0.6
85.02870	1.1
91.05453	5.6
93.07023	7.9
95.04943	2.8
95.08595	5.2
97.06516	2.1
101.06004	0.9
105.07015	16.0
107.04925	2.1
107.08569	12.1
109.06488	4.7
109.10131	1.4
110.33863	0.6
111.08050	0.9
117.07009	1.3
119.04937	3.0
119.08568	10.0
121.06502	4.4
121.10130	10.9
123.08050	10.6
123.11711	4.1
129.06998	1.5
130.07840	1.2
131.08514	2.9
133.06458	3.6
133.10149	3.9
135.08031	1.4
135.11679	1.4
137.09570	3.8
137.13225	1.3
141.06924	0.8
143.08508	4.2
145.06421	1.3
145.10114	10.4
147.07986	4.7
147.11674	7.4
149.09592	100.0
150.09914	1.4
151.07520	1.6
156.09312	5.1
159.08041	1.7
159.11646	1.3
160.08844	3.5
161.09586	4.6
161.13245	4.9
163.11157	31.2
164.11656	1.0
165.09085	0.9
165.12721	5.4
167.56592	0.6
171.11682	7.3
174.10367	3.8
179.14281	0.9
189.12714	20.2
195.05322	0.7
207.13766	48.1
208.14139	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03938	0.8
54.18185	0.6
55.01859	0.9
55.05513	3.3
57.03425	1.4
57.07039	0.9
59.04980	2.3
65.03912	0.8
67.05502	6.2
69.03422	6.5
69.07058	2.4
71.04979	4.8
71.16499	1.5
79.05486	5.9
81.03388	1.5
81.07047	5.6
82.69157	0.5
83.04958	5.9
83.08606	1.1
84.92150	0.6
85.02884	1.6
85.06538	1.3
91.05461	13.3
93.07024	11.3
95.04956	5.1
95.08587	12.5
97.06521	1.9
101.06007	2.3
105.07008	19.1
107.04928	1.9
107.08582	22.0
109.06501	7.6
109.10147	3.5
111.08054	1.8
116.06219	0.9
117.06999	2.7
119.04929	7.2
119.08557	15.0
121.06512	4.4
121.10122	13.7
122.07256	0.9
123.04388	0.6
123.08044	15.6
123.08893	1.2
123.11694	4.1
129.06958	1.6
130.07736	1.4
131.08539	3.7
133.06479	4.3
133.07336	0.7
133.10074	4.6
135.07991	1.7
135.11647	1.7
137.05911	0.8
137.09596	6.2
137.13222	2.1
139.07507	0.7
141.07016	0.6
143.08530	4.1
145.06490	1.0
145.10094	9.0
146.07245	0.8
147.04416	3.8
147.08017	5.5
147.11673	11.2
149.09595	100.0
150.09962	1.9
151.07503	2.4
156.09326	5.4
159.08032	1.2
159.11717	0.7
160.08820	3.2
161.05923	1.3
161.09573	5.7
161.13239	11.2
162.05411	0.8
162.10202	0.6
163.11160	27.6
165.09093	0.6
165.12709	7.5
166.04936	1.0
171.11670	7.4
174.10364	3.9
175.03899	3.4
179.07121	0.9
179.14276	1.4
189.12721	22.2
192.04126	1.3
207.06537	3.1
207.13771	58.1
208.14018	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03931	1.3
55.01868	1.1
55.05510	7.4
57.03406	1.8
57.07084	5.0
59.04979	1.4
65.03916	1.4
67.05493	28.6
69.03413	4.9
69.07059	3.0
71.04978	2.1
71.29386	1.5
71.29704	0.9
72.49076	0.8
79.05482	4.4
81.07038	6.8
83.05003	4.3
83.08601	1.0
85.06519	8.3
91.05458	9.8
93.07037	13.0
95.04960	4.4
95.08591	100.0
96.08900	1.7
103.05447	1.2
105.07017	15.8
106.07224	0.9
107.04999	1.4
107.07909	1.4
107.08580	17.7
109.06499	5.9
109.10159	3.1
111.08065	1.3
113.06010	5.1
117.06996	1.8
119.04868	1.0
119.08562	27.1
119.09412	1.7
120.09327	1.6
121.06476	3.2
121.10136	14.3
121.67919	0.9
123.08050	60.6
123.11671	6.9
125.09622	1.0
129.06998	1.3
131.08565	4.9
133.06487	2.1
133.10115	7.0
135.08035	2.1
135.11662	4.0
137.09549	5.0
137.13199	2.1
145.06453	1.3
145.10150	2.2
147.04303	1.0
147.08046	6.0
147.11656	12.3
149.09598	41.2
151.07524	1.5
151.14792	4.8
156.09354	2.8
159.08037	1.8
161.09622	2.2
161.13239	19.2
163.11162	2.7
165.09097	1.3
165.12724	12.9
171.11696	3.5
174.10376	3.7
179.14297	3.1
189.12717	18.4
199.47499	0.8
207.11801	1.5
207.13783	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02377	1.1
51.21306	0.4
53.03941	6.4
55.01860	1.8
55.05501	8.6
57.03424	0.6
57.07079	0.4
65.03929	2.1
66.86467	0.4
67.05493	25.5
68.05835	0.6
69.07058	6.1
69.97964	1.6
69.98398	1.7
71.04987	3.2
73.06546	1.0
77.03913	1.8
79.05480	47.6
80.05814	0.6
81.03411	2.2
81.07043	23.4
81.78339	0.4
83.04967	2.7
83.08601	2.7
85.02894	0.7
85.06520	2.8
91.05465	57.7
92.05788	0.6
93.07027	100.0
94.07375	1.2
95.04955	18.4
95.08588	9.8
97.06522	2.8
97.10143	0.8
103.05430	1.1
105.04507	3.1
105.07014	29.7
106.07337	0.5
107.04935	1.1
107.08575	11.2
109.06499	5.8
109.10147	1.4
111.08044	0.6
115.05387	0.8
115.96381	0.7
117.07000	5.7
119.04963	0.5
119.08562	17.0
121.06493	2.3
121.10130	2.5
123.08046	4.9
127.07542	1.3
128.06218	1.6
129.06979	10.0
131.08548	1.7
133.06505	0.6
133.10101	7.2
135.08092	0.6
135.11681	1.3
137.05888	0.5
137.35066	0.5
141.06950	0.6
141.09077	0.6
143.08540	6.1
145.10103	9.4
147.04379	0.5
147.08070	2.6
147.11662	55.8
148.12029	1.5
149.09602	0.7
151.07516	1.0
161.09605	3.8
161.13234	8.3
165.09032	0.8
165.12724	0.5
171.11670	19.9
179.06851	0.5
179.14255	0.6
189.12704	11.9
189.16336	1.7
192.09384	0.7
207.06474	1.6
207.11798	1.1
207.13766	18.5
207.17406	1.5
208.13925	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02375	0.9
53.03756	0.6
53.03942	6.5
55.01858	2.4
55.05505	8.3
63.18801	0.6
65.03933	1.7
67.05495	25.0
69.07056	5.3
69.71494	2.4
69.71918	2.2
71.04971	1.9
73.06542	1.1
75.78622	0.6
77.03918	1.3
79.05484	49.2
81.03417	1.9
81.07042	22.1
82.31299	0.6
83.04970	3.3
83.08600	2.5
83.27211	0.6
85.06519	1.7
91.05467	49.6
91.35638	0.6
93.07029	100.0
94.07382	1.2
95.04958	16.7
95.08596	8.0
97.06516	1.6
97.10174	1.6
105.04508	2.9
105.07013	27.4
105.07722	1.5
107.04927	1.1
107.08572	10.9
109.06524	3.6
109.10143	0.6
109.16499	0.7
117.07000	5.8
119.08560	14.7
121.06490	2.3
121.10127	2.2
123.08031	3.3
127.07523	0.9
128.06198	1.5
129.06984	10.3
131.08623	1.1
133.10094	5.9
135.11716	0.9
139.07454	0.8
143.08562	5.3
145.10075	9.2
147.08055	1.7
147.11662	55.4
148.12006	1.4
156.09378	0.8
161.09605	3.7
161.13251	8.7
165.09073	0.8
171.11659	21.5
173.04474	0.7
189.12723	8.8
202.85074	0.7
207.06531	1.1
207.13777	18.2
207.15616	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1948
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03949	3.9
55.05506	18.9
56.96546	1.2
57.03449	1.2
57.07072	11.8
65.03938	5.5
67.05498	14.5
69.03451	1.3
69.07062	31.7
70.43156	5.0
71.08623	1.4
79.05489	18.0
81.03429	1.5
81.07047	62.6
83.08619	10.6
84.04466	1.8
85.02898	1.2
85.04822	1.1
91.05463	12.6
93.03386	1.4
93.07035	61.8
95.04967	3.3
95.08600	43.1
97.02886	8.0
97.10143	9.1
99.04488	1.4
103.05470	1.9
105.06999	8.8
107.08580	56.2
109.02863	2.1
109.06488	1.6
109.10149	38.4
111.11710	3.8
117.07020	3.2
119.08545	5.6
121.02863	10.6
121.03966	1.6
121.06491	2.2
121.10130	100.0
122.10491	2.6
123.08002	1.4
123.11679	17.5
127.05902	1.8
131.04890	1.5
131.08582	4.2
133.10133	3.9
135.11678	33.7
137.13249	1.3
145.10104	4.1
147.11649	1.7
149.02333	69.1
149.13243	53.1
150.02681	3.0
152.66937	1.2
159.08051	1.1
159.11653	2.1
163.11180	2.4
163.14778	7.9
167.03386	1.5
175.14749	1.5
177.16443	3.1
187.11072	1.4
187.14868	2.6
205.04938	3.4
205.12239	3.6
205.14153	2.8
205.16003	6.8
205.19478	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1585
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03921	3.4
55.05509	13.5
56.05837	2.4
57.07076	13.5
65.03940	4.4
67.05497	21.3
69.03400	4.0
69.07050	19.2
69.68056	18.9
79.05491	16.0
80.48624	2.2
81.03389	2.6
81.07047	81.2
83.04964	30.1
83.08592	5.3
85.02856	2.9
85.04825	3.7
91.05473	23.7
93.03414	3.6
93.07028	29.0
95.04922	5.5
95.08597	46.1
97.02880	17.1
98.03243	4.1
99.04430	2.6
103.05408	2.2
105.06339	3.9
105.07015	73.4
107.04931	6.0
107.08580	35.5
109.02857	4.8
109.06474	6.3
109.10117	8.9
110.95764	2.3
111.08044	2.5
117.07008	20.5
119.08569	60.7
119.23706	2.3
121.02824	9.8
121.06439	7.4
121.10134	29.9
123.08035	3.6
123.11689	67.1
127.05806	5.2
129.06993	4.2
130.07765	5.6
131.07649	4.1
131.08551	52.6
133.10110	39.4
135.07990	6.6
135.11668	7.7
142.42902	2.3
143.08514	6.5
144.09314	3.5
145.06514	2.3
145.10104	100.0
147.11655	22.3
149.02327	80.0
149.03351	1.5
149.13203	4.0
149.36612	2.2
157.10117	4.9
158.10880	6.2
159.04300	3.1
159.11713	25.7
160.12291	3.3
161.13176	8.0
163.11121	6.2
163.14851	2.6
172.12448	4.4
173.13214	30.7
175.14806	77.3
177.12704	6.1
177.16374	20.6
187.11270	3.6
187.14798	55.8
199.12529	2.7
205.04941	3.1
205.08621	5.2
205.12198	11.3
205.14122	7.8
205.15842	89.8
206.08041	2.6
206.16185	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	205.1948
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
51.92984	0.6
53.03934	1.4
55.05501	8.1
57.07069	5.1
65.03922	2.4
67.05494	9.6
69.07059	17.3
70.02468	2.9
70.92456	0.7
71.08605	1.3
79.05489	12.9
81.07047	50.1
83.08604	4.6
91.05474	6.4
93.07030	53.8
94.07321	0.7
95.04950	2.2
95.08592	25.3
97.02889	1.6
97.10149	4.7
105.07022	5.6
106.41145	0.7
107.08577	31.0
108.35284	0.6
109.02840	1.1
109.10143	17.8
111.11701	1.4
113.82734	0.6
116.91093	0.7
119.08565	1.9
121.02866	3.0
121.03983	0.7
121.10127	100.0
122.10484	1.8
123.08079	1.3
123.11699	7.7
131.08577	0.8
135.11668	15.2
143.17490	0.6
145.10091	1.6
149.02327	24.3
149.13235	35.3
150.02640	0.6
163.14812	2.6
177.16382	1.0
191.52663	0.6
205.08884	0.8
205.12325	1.1
205.16029	1.0
205.19514	15.5
205.21391	1.2
206.19955	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1584
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03949	2.7
55.05490	9.0
57.07068	14.2
65.03921	5.3
67.05493	16.8
68.30465	1.6
69.07058	19.6
69.95892	10.7
71.04984	3.7
71.06100	2.1
79.05488	14.8
81.03409	2.8
81.07045	87.4
83.04967	29.0
83.08597	6.5
85.02914	2.5
91.05471	16.3
93.07033	26.1
95.04959	5.5
95.08588	45.7
96.98672	1.9
97.02872	8.9
98.21421	4.4
103.05457	3.1
105.07014	80.1
105.07726	4.1
105.48330	2.2
105.95432	2.1
107.04948	3.3
107.08585	35.5
109.02836	3.9
109.06469	2.2
109.10115	9.3
115.05411	2.6
117.07014	19.8
119.08567	67.2
121.02872	3.4
121.06493	5.1
121.10128	27.0
123.11694	65.7
127.05839	2.4
129.06953	5.4
130.07770	7.6
131.08554	51.7
133.10117	46.1
135.08037	7.2
135.11667	7.6
143.08527	9.6
144.09265	4.2
145.06444	2.3
145.10104	100.0
147.08051	2.8
147.11676	23.8
149.02324	44.6
149.05873	2.9
149.09546	3.3
149.13257	3.8
150.02628	2.2
157.10146	4.8
158.10924	6.3
159.04422	2.4
159.11676	24.2
160.12399	2.1
161.13217	9.6
163.11156	5.6
163.14767	3.9
167.48950	1.9
172.12445	2.9
173.13237	27.7
174.14015	2.2
175.14813	75.8
176.15195	2.5
177.12762	4.5
177.16364	18.5
187.11165	4.0
187.14796	52.3
205.04950	5.6
205.08508	4.7
205.12207	8.3
205.14278	3.6
205.15863	90.1
206.16031	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	205.1582
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03914	1.6
55.05496	15.4
57.07050	5.0
61.91956	1.5
67.05479	13.7
69.03400	2.0
69.07054	20.0
69.76778	9.2
71.04963	1.9
79.05473	20.3
81.07034	34.8
83.04974	1.8
83.08585	6.4
88.65859	1.4
90.93924	1.5
91.05464	26.8
93.07024	38.3
95.04964	7.9
95.08591	44.3
97.06507	2.6
97.10164	3.3
105.07010	62.7
105.07720	3.2
107.08570	58.3
109.06504	4.2
109.10120	15.8
111.08055	2.9
115.05430	1.9
117.07010	8.9
119.08558	51.6
120.08883	1.6
121.06495	4.6
121.09260	2.9
121.10123	53.2
123.08001	3.2
123.11737	2.6
129.07013	2.1
130.07748	3.9
131.08536	16.2
133.10115	14.0
135.08034	6.7
135.11646	13.0
143.08511	3.5
144.09302	2.2
145.06398	3.9
145.10104	41.6
147.11661	100.0
148.11960	3.9
149.02318	11.8
149.09610	4.8
149.13216	23.2
157.10103	2.2
158.10835	2.3
159.11679	12.5
161.13187	6.7
163.11163	4.3
163.14769	5.1
173.05928	2.6
175.14812	3.8
177.16364	40.2
187.11142	2.2
187.14777	26.3
190.09789	1.8
205.08638	3.5
205.12312	7.6
205.15837	54.3
217.76897	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63003	1.1
53.03936	2.1
55.05501	12.5
57.03397	1.2
57.07055	5.1
64.83806	1.2
67.05497	15.4
69.03420	2.0
69.07059	23.0
71.04951	2.0
71.25235	2.9
73.06542	2.1
73.20947	1.2
79.05481	24.1
80.28070	1.1
81.03387	1.7
81.07045	36.6
81.63079	1.1
83.04971	1.8
83.08131	1.6
83.08589	8.7
85.06522	2.0
91.05460	25.7
91.06023	1.8
93.06440	2.4
93.07030	47.8
95.04958	10.8
95.08004	2.7
95.08591	44.4
97.02893	2.4
97.06530	2.1
97.10132	3.8
103.05445	2.4
105.07012	57.3
106.88694	1.1
107.08578	71.0
108.08922	1.3
109.02847	1.3
109.06502	5.0
109.10130	16.0
111.08021	2.1
115.05436	3.4
117.06995	10.5
118.45616	1.3
119.08569	44.3
120.08894	1.3
120.66122	1.0
121.02889	1.3
121.06483	4.3
121.10121	60.3
123.08036	2.8
123.11747	2.9
127.05863	1.1
129.06987	3.6
130.07779	3.5
131.04889	2.1
131.08559	16.8
133.10112	13.1
134.10522	1.3
135.04517	1.2
135.08014	6.6
135.11670	13.6
143.08557	4.0
144.09235	1.4
145.06410	7.3
145.10098	38.2
147.08014	1.9
147.11665	100.0
148.12053	1.4
149.02295	14.4
149.05959	1.7
149.09560	5.3
149.13234	22.2
157.10049	2.6
158.10805	1.2
159.11685	15.1
161.13232	8.7
162.10384	1.4
163.11154	4.4
163.14801	7.7
172.12459	1.7
173.06000	2.6
174.89024	1.2
175.14828	4.6
177.12801	2.4
177.16367	46.4
178.16745	2.2
187.14787	24.9
205.04915	1.7
205.08672	3.3
205.12296	7.0
205.15869	56.7
205.18976	2.6
205.19669	2.6
206.16180	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1584
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03922	1.9
55.05494	16.0
57.03407	1.5
57.07069	10.9
60.04501	2.5
65.03917	3.8
67.05489	20.5
69.03414	4.4
69.07050	22.5
70.40542	5.4
71.04968	3.3
79.05481	18.1
81.03407	3.8
81.07042	78.0
83.04965	29.5
83.08595	6.8
85.02857	2.6
85.06540	3.2
91.05464	31.4
91.06028	2.0
93.07029	38.8
94.07387	1.7
95.04946	9.2
95.08005	3.3
95.08591	55.9
96.25374	1.3
97.02855	5.9
97.06505	3.5
97.10136	3.3
103.05484	7.4
105.07013	76.2
107.04955	3.2
107.08568	43.6
109.02839	3.0
109.06507	7.1
109.10139	19.1
111.08049	4.1
115.05388	11.0
116.06201	3.0
117.06998	28.5
118.80875	1.4
119.08559	58.1
121.02856	3.2
121.03974	1.4
121.06480	7.8
121.10124	39.2
123.08062	4.0
123.11684	60.8
127.76597	1.5
128.16736	1.5
128.45340	1.4
129.06975	5.8
129.43954	1.3
130.07748	6.0
131.04887	4.3
131.08546	52.4
132.09361	1.6
133.09175	2.6
133.10112	41.3
135.04395	4.8
135.08014	8.0
135.11681	13.5
137.09523	1.7
143.08533	6.9
144.09273	4.0
145.04816	2.6
145.06461	16.3
145.10097	100.0
146.10472	2.0
147.04309	1.7
147.08005	3.4
147.11658	30.7
149.02312	28.9
149.05963	3.1
149.09578	5.3
149.13216	10.9
157.10103	3.4
158.10893	6.3
159.04422	2.0
159.08006	2.4
159.11681	27.7
160.12363	2.5
161.05888	2.3
161.09605	2.4
161.13220	12.4
163.07497	6.9
163.11168	6.0
163.14755	6.4
172.12399	4.5
173.04297	3.6
173.05934	5.6
173.13223	27.8
174.13875	2.8
175.14790	60.2
176.04645	2.2
176.15089	1.6
177.05418	5.4
177.09068	3.5
177.12717	3.7
177.16353	21.9
187.03836	2.9
187.07570	1.8
187.11230	7.7
187.13084	2.8
187.14790	52.6
205.04930	5.4
205.08583	12.7
205.12209	18.1
205.15852	97.2
205.19447	5.3
206.16272	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	205.1584
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
51.02381	2.4
53.03938	3.8
55.05511	14.5
57.03414	3.6
57.07066	14.5
59.04978	2.2
59.67805	1.9
60.68038	1.7
65.03923	6.7
67.05492	16.3
67.06797	1.9
69.03417	3.9
69.07055	21.4
69.51143	17.5
78.75276	2.1
79.05083	2.0
79.05486	18.7
81.03390	4.2
81.07047	28.6
83.04974	7.6
83.08611	11.2
85.06519	3.5
91.05464	23.1
93.07027	39.4
95.04941	4.6
95.08597	37.9
97.02891	10.4
97.06522	6.9
97.10149	3.2
99.08085	7.2
105.07014	54.2
107.08578	66.6
108.08921	2.4
109.02843	6.2
109.06501	13.1
109.10143	23.1
111.08035	5.4
117.07003	13.0
119.08562	63.2
120.64385	1.7
121.02876	11.1
121.06490	11.9
121.10128	59.3
123.08064	21.0
123.11638	9.3
128.06180	2.3
129.07008	3.0
130.07764	5.3
131.08546	23.6
133.10109	41.2
135.08035	14.8
135.11676	17.1
137.09596	4.3
143.08554	8.0
144.09312	3.0
145.10110	87.1
147.08058	3.2
147.11671	29.4
149.02325	73.3
149.09615	9.6
149.13235	12.8
157.10110	8.6
158.10857	7.7
159.11678	24.9
161.13239	40.5
162.10481	3.0
163.11140	13.5
163.14803	37.7
172.12479	6.5
174.14055	2.2
175.14806	19.6
177.12730	3.3
177.16362	14.0
187.14804	61.6
190.13644	1.9
205.05019	3.5
205.08723	4.1
205.15857	100.0
205.19453	8.5
206.16357	3.2
222.28482	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1584
Annotation	Mayurone
Peak:m/z	Relative Intensity
53.03917	3.2
55.05507	19.2
57.07053	9.8
59.04982	2.6
59.60732	2.0
67.05502	10.6
69.07056	42.2
69.49154	20.3
79.05485	18.8
81.07043	19.0
83.04951	4.9
83.08600	17.6
91.05466	17.1
93.07024	41.3
95.08595	49.2
97.02879	2.5
97.10159	2.9
103.05432	2.5
105.07008	37.9
107.08582	88.4
108.51266	1.9
109.02884	3.9
109.06511	5.0
109.10122	15.9
111.08057	2.2
115.05464	5.0
116.06213	2.6
117.07000	22.9
119.08563	74.5
121.02851	2.9
121.06493	6.3
121.10132	85.3
122.10539	2.3
123.11584	3.2
129.06979	5.8
130.07753	8.1
131.08559	33.4
133.09181	4.3
133.10115	59.5
135.08028	5.9
135.11673	23.8
143.08539	10.5
144.09303	5.5
145.06436	2.4
145.10110	86.6
147.08051	3.2
147.11670	10.6
149.02332	23.2
149.09592	9.2
149.13281	12.9
157.10110	9.3
158.10860	7.9
159.11674	23.8
161.13239	11.4
163.11160	69.5
163.14775	11.1
172.12454	5.5
174.13892	3.6
175.14804	100.0
176.15082	4.5
177.16380	47.6
187.14804	59.5
205.14253	3.5
205.15860	97.8
205.19525	10.1
206.16203	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	205.1584
Annotation	Khusimone
Peak:m/z	Relative Intensity
52.29833	2.6
55.01842	2.9
55.05513	14.1
57.03433	3.1
57.07052	7.3
67.05479	9.7
69.06699	2.8
69.07057	38.8
69.70949	19.4
71.26577	2.2
79.05489	22.0
79.21641	2.5
81.06604	3.1
81.07045	21.6
83.04964	5.3
83.08601	11.4
85.06478	2.5
91.05460	19.4
93.07030	38.3
95.08599	41.0
97.02850	2.6
97.06531	3.6
97.10159	2.6
105.07015	46.2
107.08582	85.2
109.06502	3.0
109.10142	12.4
109.79977	2.5
117.07003	23.9
119.08565	72.7
119.26972	2.2
121.06499	4.8
121.09254	5.5
121.10128	85.3
123.07998	6.6
123.11627	3.4
129.07004	5.2
130.07780	5.9
131.08554	32.6
133.10109	57.1
135.08020	8.0
135.11644	17.5
137.09598	2.5
143.08589	12.8
144.09309	4.4
145.10106	100.0
146.10635	2.5
147.11624	16.1
149.02339	12.6
149.09608	4.4
149.13231	10.2
157.10098	8.3
158.10893	9.6
159.11684	29.7
160.12437	2.8
161.13257	9.0
163.11142	23.4
163.14775	6.0
163.27901	2.2
172.12462	8.3
173.13255	3.1
174.13988	3.9
174.27261	2.4
175.14806	98.4
176.15111	3.5
177.16374	45.8
187.14807	64.3
188.15179	2.9
197.44980	2.5
205.12341	3.1
205.15846	92.0
212.11819	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1584
Annotation	Khusitone
Peak:m/z	Relative Intensity
53.03933	3.0
54.15325	1.7
55.01857	3.1
55.05504	15.5
57.03426	1.6
57.07063	9.9
59.04976	2.7
66.45567	1.8
67.05503	10.3
69.03416	3.1
69.07062	34.3
69.71674	13.5
77.03907	2.1
79.05484	16.9
81.07051	19.7
83.04977	3.0
83.08611	11.9
85.06513	2.3
91.05470	19.4
93.07030	40.5
95.04948	3.9
95.08602	43.7
97.02892	3.0
97.06523	3.5
98.21391	1.9
103.05434	2.2
105.06329	2.9
105.07015	39.3
107.08582	95.2
109.06489	6.6
109.10136	13.5
111.08028	2.8
117.07011	17.4
119.07732	3.7
119.08569	73.0
120.08833	2.2
121.02863	2.6
121.06482	7.5
121.10129	79.3
123.08035	11.2
123.11710	5.4
129.06958	4.6
130.07776	5.6
131.08540	21.8
133.09171	3.3
133.10115	45.8
135.08028	7.9
135.11661	20.4
137.09660	3.0
143.08575	12.3
144.09332	2.5
145.10106	83.0
147.11658	15.8
149.02296	14.6
149.09601	14.0
149.13240	11.9
153.43961	1.8
157.10101	7.3
158.10904	8.9
159.11693	20.3
161.09573	2.6
161.13264	20.0
163.11163	100.0
163.14806	19.9
164.11546	1.9
172.12477	7.0
174.14047	2.1
175.14806	71.8
176.15182	2.1
177.12781	3.2
177.14902	2.7
177.16373	31.2
187.14801	61.9
189.24239	2.1
205.14255	3.7
205.15860	92.3
205.19272	8.7
206.16226	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1583
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
52.11709	1.5
52.79147	1.4
53.03932	3.2
55.05272	1.5
55.05507	16.5
57.07065	11.5
59.04983	2.8
65.03928	3.7
67.05481	11.3
69.03403	2.5
69.07059	39.7
70.93376	3.2
71.04962	1.7
79.05471	19.0
81.03390	2.9
81.07040	20.8
83.04971	6.0
83.08610	15.8
84.04473	1.6
85.02908	1.5
85.04852	1.8
85.06518	1.6
91.05461	22.9
93.07025	40.2
95.04947	4.2
95.08597	45.8
97.02877	5.7
97.06496	3.6
103.05405	1.7
103.58788	1.4
105.07011	41.0
107.08576	100.0
109.02840	2.8
109.06500	4.9
109.10130	12.8
110.06036	1.7
111.08067	2.3
115.05467	2.7
117.07004	22.3
119.08559	82.5
120.08887	1.8
121.02852	5.1
121.06519	3.4
121.10126	90.8
123.08060	8.0
123.11676	4.4
128.06142	1.6
129.06987	3.7
130.07796	8.4
131.07640	2.5
131.08554	29.9
133.10114	65.4
133.11148	3.1
135.08057	9.5
135.11687	18.3
137.09563	2.8
143.08557	15.2
143.97070	1.3
144.09319	3.5
145.10106	91.4
146.10706	2.0
147.08073	2.6
147.11658	17.0
149.02321	40.6
149.09654	7.8
149.13208	7.6
157.10104	10.6
158.10902	9.4
159.11671	31.9
160.12381	1.9
161.13226	17.4
163.11165	53.9
163.14798	11.5
165.19289	1.5
172.12474	11.2
173.13203	1.5
174.13986	3.3
175.14798	91.0
176.15103	1.9
176.29350	1.4
177.12790	3.0
177.16368	45.6
185.13165	1.6
187.11176	3.2
187.14798	60.7
205.04884	3.2
205.08611	3.2
205.12183	5.6
205.14258	3.6
205.15846	89.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1583
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
53.03926	2.1
55.05497	17.0
57.03416	2.1
57.07064	9.5
59.04993	3.9
61.09169	1.7
61.40609	1.7
63.08948	1.8
63.68191	1.5
65.03922	4.1
65.71008	1.6
67.05493	11.7
69.03416	2.2
69.07054	36.3
70.15774	4.1
70.16196	5.6
73.85518	1.5
79.05463	20.3
81.03409	1.9
81.07045	18.3
83.04986	5.1
83.08602	18.4
85.02922	1.9
85.04825	1.4
85.06546	1.9
85.21441	1.4
91.05465	21.7
93.07030	37.2
95.04964	3.6
95.08590	51.4
97.02878	7.5
97.06495	2.3
98.03217	1.8
103.05461	2.3
105.07005	39.2
106.07331	2.8
107.04942	2.5
107.08575	86.4
109.02853	2.6
109.06512	4.0
109.10146	15.8
111.08077	3.1
115.05408	2.0
117.06992	19.0
119.08556	75.0
121.02814	4.0
121.06503	6.0
121.10120	79.4
123.08067	8.0
123.11686	5.8
127.05841	1.5
128.06168	1.9
129.07002	6.8
130.07750	8.1
131.08548	32.1
131.09464	3.2
133.10104	62.8
135.08046	8.1
135.11664	19.4
137.09563	1.8
143.08566	9.9
144.09334	6.3
145.10097	100.0
147.11646	15.5
149.02324	28.5
149.09590	8.7
149.13274	11.7
157.10091	9.2
158.10886	8.3
159.11674	34.1
161.09602	2.3
161.13229	12.0
163.11185	24.2
163.14792	8.2
172.12418	7.9
173.13211	2.5
174.14020	6.4
175.14795	94.8
176.15155	2.7
177.12740	3.3
177.16342	39.5
187.11165	3.1
187.14789	59.7
188.15269	1.9
190.11842	2.2
190.13490	2.1
205.08807	2.6
205.12050	5.4
205.14101	19.1
205.15878	83.9
205.19463	3.3
206.16141	4.0
206.49600	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
53.24863	0.7
55.01856	1.6
55.05497	3.8
56.05033	0.9
56.96554	100.0
57.03432	2.4
57.07064	7.0
60.04512	4.5
61.02924	2.4
63.92936	2.3
65.03926	3.0
67.05492	1.8
68.05031	1.3
69.03416	7.6
69.05348	0.8
69.07075	1.0
70.06590	1.1
70.98120	4.1
71.01331	0.9
71.04985	1.8
72.08144	2.8
73.02901	3.0
73.06542	2.2
74.97588	6.4
76.03991	1.0
78.95264	7.5
79.05470	2.3
81.03401	5.0
81.07058	1.5
83.04958	0.9
83.06149	0.8
84.04498	2.9
84.08131	2.0
84.96016	4.7
85.02882	7.0
85.04827	1.9
85.06548	1.2
86.03220	1.3
86.09676	0.7
87.04446	0.7
88.99128	4.9
91.05462	5.5
92.98648	2.0
93.03394	1.6
93.07006	3.5
95.04956	2.3
95.06022	0.7
95.08591	1.1
96.04494	2.9
97.02873	11.2
97.04829	2.6
97.99165	1.2
98.03191	4.0
98.97557	5.8
99.04446	4.0
100.88262	0.7
100.99147	3.1
101.02351	0.9
102.09206	0.8
102.97066	1.3
103.05485	1.6
105.07043	3.3
107.00203	2.9
107.04952	2.1
107.08595	2.0
109.02849	5.2
110.97560	1.8
111.04481	1.4
111.06371	1.8
114.05544	2.2
115.05934	3.5
116.98606	5.8
117.06992	1.7
119.00147	6.0
119.01894	2.9
119.04955	1.3
119.08583	1.7
119.97865	7.7
120.98032	0.7
121.01657	1.1
121.02850	5.5
121.03629	0.6
121.04006	0.7
121.06499	3.7
121.10139	2.1
122.94176	3.4
123.04425	1.0
125.04288	0.8
126.05500	1.8
127.03912	2.6
127.05880	3.2
128.02298	1.1
128.98582	4.5
131.01904	1.3
131.04947	2.1
131.06906	0.7
131.08597	1.8
133.01761	1.4
133.10164	1.4
134.99637	5.8
135.00560	0.8
135.04433	0.8
135.08075	1.2
135.11716	1.2
136.06161	1.0
137.01247	3.1
138.99095	0.7
139.05923	1.2
140.01303	0.7
140.95303	2.2
142.01816	0.8
143.00201	0.8
143.01862	1.5
144.98045	7.8
144.98914	0.7
145.01598	1.3
145.06549	1.3
145.10164	1.9
146.99628	8.8
147.04306	1.1
148.97556	4.4
149.01166	1.5
149.02306	46.1
149.05905	3.5
149.13263	1.0
150.96872	1.1
151.02788	0.8
151.07567	0.8
153.00731	1.0
155.04640	4.3
155.54858	1.1
158.96249	6.2
158.99687	1.7
159.04410	0.8
159.05530	1.2
159.08176	1.2
159.09372	0.7
159.11681	2.5
160.07419	0.8
161.01259	3.1
161.02922	1.8
162.99124	25.4
163.02771	2.9
163.04025	1.0
163.07547	1.0
163.11214	1.8
163.96835	6.8
164.05141	1.6
164.07028	1.0
165.00752	2.1
165.04333	1.2
166.55592	1.4
166.98653	2.7
167.03392	1.1
169.06914	2.3
171.99178	0.7
174.99191	1.1
177.00769	2.9
177.05499	1.7
177.09142	1.0
177.12794	2.1
178.04953	1.1
181.00172	20.2
181.97862	10.2
187.03976	1.0
187.07903	1.3
187.11177	1.2
187.14801	0.9
199.01222	4.7
200.02307	0.9
201.00824	1.1
204.01846	2.5
205.00191	6.8
205.05031	2.4
205.08856	6.9
205.12265	4.8
205.14146	1.5
205.15961	3.1
206.08250	1.3
223.01205	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	204.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
55.01864	3.6
55.05281	0.4
55.05503	2.3
56.05031	1.2
56.96556	36.0
57.03427	9.6
57.07074	0.4
58.02976	0.3
58.03768	0.8
58.06598	1.5
58.99865	0.5
59.05000	2.7
60.04516	8.4
60.08156	9.8
60.08445	0.7
60.95850	1.4
61.02921	10.0
61.03224	0.7
65.03936	1.0
67.05494	2.2
68.05022	5.5
69.03422	14.6
69.07066	0.9
70.00358	0.9
70.00742	0.7
70.03761	0.9
70.06572	2.5
70.98120	1.5
71.01351	1.5
71.04987	4.8
71.95259	0.8
72.04507	2.4
72.08142	3.1
73.02904	10.2
74.06072	2.3
74.97583	1.8
75.04478	0.8
77.00885	1.9
78.01007	0.4
78.95273	1.1
79.05486	2.5
80.05010	0.6
81.03404	8.1
81.07046	1.5
82.02948	0.5
82.03736	0.6
82.06564	0.8
83.00819	0.5
83.01334	1.2
83.04966	4.3
83.97604	0.4
83.99969	0.4
84.04494	9.7
84.08134	3.9
84.96011	2.9
85.02893	100.0
85.06543	0.6
86.03220	1.0
86.06046	2.2
86.09696	7.1
87.00820	0.8
87.01907	0.4
87.04459	3.1
87.10047	0.6
88.02667	0.6
88.03968	0.8
88.07624	0.5
88.99149	1.3
89.00787	0.9
90.01522	0.5
91.02409	1.3
91.03940	1.1
91.05453	2.4
92.01273	0.5
92.05788	0.4
93.01044	0.4
93.03329	0.4
93.07034	2.4
94.06525	0.9
95.01913	0.4
95.04961	2.0
95.08590	1.0
96.01518	1.0
96.04478	8.4
97.02877	28.0
97.06521	1.1
97.96783	0.7
97.99177	0.5
98.01263	0.7
98.03196	1.0
98.06037	3.4
98.20748	0.4
98.97566	19.6
99.02053	0.6
99.02882	0.4
99.04445	3.8
99.97903	0.7
100.02523	0.4
100.03965	1.9
100.07586	0.9
100.99123	1.1
101.00863	2.7
101.02379	1.6
101.03470	0.5
101.04623	0.3
101.06032	0.6
102.00941	1.8
102.01539	0.6
102.02323	0.4
102.05521	1.6
102.96906	2.1
103.00568	0.8
103.02424	1.7
103.03246	0.3
103.03925	1.4
103.05470	0.6
104.01251	0.9
105.00288	0.4
105.02044	1.0
105.07018	2.1
106.01014	0.4
106.06532	0.8
106.07297	0.7
107.00157	0.5
107.03424	0.5
107.04922	1.1
107.08577	1.2
108.03438	0.4
108.04206	0.7
109.02250	0.3
109.02862	4.8
109.03497	0.8
109.06495	1.4
110.01250	1.5
110.02053	0.6
110.06039	4.8
110.06740	0.7
110.97540	1.3
111.02074	0.8
111.02913	1.0
111.04444	2.4
112.02772	0.7
112.03911	0.5
112.07591	2.7
112.54394	0.9
112.99129	0.7
113.00848	0.7
113.01651	0.5
113.02367	1.1
113.03385	0.4
113.05933	0.5
114.05515	9.8
114.09144	0.8
115.00647	0.5
115.01604	0.6
115.02401	2.9
115.03908	1.6
115.97818	0.4
116.07081	2.1
116.98608	17.5
117.01976	0.9
117.03983	3.8
117.98927	0.5
118.01039	1.2
118.02769	0.8
119.00184	2.3
119.01883	16.1
119.04887	0.6
119.97875	1.2
120.01965	9.9
120.03307	0.6
120.97902	3.0
121.01646	5.5
121.03400	1.2
121.06499	1.7
121.52018	0.5
122.05981	1.0
123.02041	0.7
123.04376	1.3
123.08022	1.4
124.01031	0.5
124.01894	0.7
124.02737	0.5
124.03893	1.1
125.01796	0.7
126.02571	0.7
126.05492	12.7
127.01487	0.5
127.03168	0.4
127.03920	5.0
127.06322	0.5
128.02298	3.6
128.07080	0.7
128.98581	5.0
129.02979	0.4
129.03911	0.8
129.05492	0.6
129.10251	0.8
130.01836	0.5
130.08601	2.6
130.52603	0.7
131.00195	2.7
131.01866	6.5
131.04474	1.6
131.53333	0.5
131.99669	0.7
132.01799	0.7
132.02588	0.5
132.03401	0.7
132.04298	0.6
132.06508	0.4
132.10143	1.1
133.01695	2.7
133.03423	5.8
134.02286	0.7
134.03557	3.5
134.05951	1.5
134.99641	12.4
135.03108	1.2
135.05031	6.7
135.08008	1.2
136.05103	0.9
137.01166	1.5
137.02899	5.2
137.04688	0.5
137.05927	0.5
138.03081	3.4
138.04094	0.5
138.04437	0.5
138.05467	3.8
138.98938	2.9
139.01576	0.4
139.02553	1.9
139.53084	0.4
140.00146	1.0
140.02274	2.7
140.04973	19.4
140.07051	0.8
140.55052	3.6
140.95198	0.7
141.02986	1.0
141.03918	0.7
141.04941	1.2
142.03604	0.7
142.08591	0.5
142.96463	0.5
143.00191	2.4
143.01855	4.2
143.03479	0.8
143.11722	0.5
143.53314	0.5
144.01959	3.0
144.03220	1.1
144.04256	0.4
144.06610	1.8
144.10196	2.8
144.98062	0.9
144.99806	0.7
145.01604	2.5
145.03397	3.9
145.04910	7.5
146.02292	0.8
146.03540	1.2
146.99623	7.0
147.01340	0.9
147.03084	1.4
147.04977	0.7
148.03847	5.7
148.04991	0.8
149.01286	3.8
149.02759	2.8
149.03708	1.7
149.05568	1.6
150.01747	0.4
150.99025	0.5
151.02689	1.7
151.04468	0.5
151.06255	0.5
151.07468	0.6
151.53062	0.9
151.55775	3.1
152.04594	1.1
152.05824	0.8
152.98587	0.5
153.00682	1.7
153.04016	0.5
153.05722	0.6
153.09044	0.9
154.03767	1.4
155.01816	0.9
155.02805	1.0
156.06509	2.0
156.99980	0.4
157.03529	1.7
157.04466	0.6
158.01230	1.1
158.03532	1.1
158.06433	0.5
158.08084	2.2
158.11699	0.6
158.96228	1.3
158.99620	5.4
159.01059	0.5
159.03195	0.6
159.05075	2.0
159.54594	1.2
160.04863	0.5
160.06264	0.4
160.97551	0.8
161.01163	3.8
161.02882	10.1
161.04556	1.5
162.00487	0.7
162.01733	0.6
162.03049	8.9
162.05438	0.9
162.99117	2.2
163.02658	7.3
163.04276	1.7
163.96754	1.0
164.03075	0.5
165.00725	3.2
167.03851	0.5
167.06900	0.5
168.06558	3.5
169.03445	1.0
170.03371	0.7
170.05075	0.7
170.99623	1.4
171.05003	1.8
172.99237	0.5
173.01147	2.0
173.02878	3.3
173.06569	0.7
174.03076	2.0
174.06793	0.7
174.55141	0.6
174.98994	0.8
175.00623	0.4
175.02754	2.0
175.04443	1.9
176.04324	0.5
177.00711	7.8
177.02298	1.0
177.04091	1.6
177.05945	1.0
178.06145	0.5
179.02219	1.5
179.03952	1.0
180.01591	0.8
180.04105	0.8
181.00235	2.4
181.03531	5.0
181.07153	0.4
181.97795	1.6
182.03018	0.8
182.99548	0.4
183.04076	3.7
184.04742	1.7
185.01196	0.7
185.02846	1.8
185.04665	1.1
186.04243	0.6
186.05794	0.5
186.07539	3.2
186.11197	0.7
187.01059	0.4
187.02713	1.8
187.04457	1.5
187.14397	0.6
188.97075	0.5
189.00621	2.3
189.02390	0.9
189.04326	0.4
189.05969	1.5
190.98560	1.1
191.02130	1.4
191.03763	0.7
192.04178	3.2
193.00122	0.9
193.03664	1.1
193.05455	1.0
195.01660	1.0
195.05811	0.5
197.04729	0.6
199.00900	1.2
199.02698	1.1
199.04341	2.7
201.00594	1.5
201.02408	0.8
201.05963	0.6
203.02161	1.0
203.03918	1.7
203.55305	0.6
204.05272	0.6
204.06874	1.3
204.08713	13.0
204.12195	13.8
204.13737	1.3
204.17021	0.5
204.56349	0.4
205.00011	1.3
205.01740	1.0
205.03551	1.8
205.05473	1.9
206.98099	0.5
207.01665	0.9
211.02791	0.5
211.04601	0.6
213.02414	0.7
213.07004	0.8
215.00327	0.7
215.05789	1.6
217.00105	0.6
217.01907	0.6
217.03658	0.6
217.05513	0.5
219.01723	3.7
219.03539	0.6
221.03198	1.1
221.04979	1.5
222.05096	1.8
223.01205	2.0
223.04709	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
50.94656	0.7
51.61499	0.9
53.03927	1.6
55.01853	1.0
55.05503	8.1
57.07062	1.2
60.04501	2.9
61.30108	0.8
62.13852	0.8
65.03931	1.7
67.05141	1.1
67.05494	18.2
68.05002	3.2
69.07059	9.3
79.05482	11.3
81.07043	50.9
83.08601	2.2
83.21374	0.8
84.04471	4.0
91.05463	16.3
93.06430	1.4
93.07024	19.0
93.81702	0.7
95.04990	1.4
95.08591	64.1
96.04472	3.5
96.08912	1.0
97.02885	4.2
98.05975	0.9
98.20590	1.8
103.05460	1.4
105.07012	51.3
107.08572	40.7
108.08852	0.8
109.06495	1.8
109.10135	41.7
110.10474	0.9
114.05537	3.9
115.05428	3.1
117.06971	5.4
119.08559	39.7
121.10126	14.5
123.11686	5.3
126.05474	5.1
128.06184	2.3
129.06976	3.1
130.07774	1.1
131.04848	1.1
131.08536	6.1
132.05687	1.0
133.06497	1.9
133.10109	35.8
135.08058	1.1
135.11690	4.1
142.07745	2.4
143.04881	1.0
143.08548	4.2
145.06473	2.7
145.10112	7.5
147.04335	1.4
147.07965	2.2
147.11656	56.5
148.12323	0.9
149.13152	0.9
155.08549	0.8
157.06447	1.2
157.10130	3.3
159.11659	5.5
160.05173	3.5
161.05754	1.0
161.09583	3.4
161.13235	18.7
168.06424	1.0
172.03929	1.3
173.13251	2.2
175.07545	4.9
175.11263	1.9
175.14786	11.3
185.05928	0.9
185.13231	3.8
203.07030	7.3
203.10654	4.6
203.14320	10.0
203.17928	100.0
204.08620	3.4
204.13841	2.0
204.18246	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03932	2.1
55.05503	8.9
57.07071	0.9
60.04514	4.0
67.05497	19.8
68.05011	1.8
69.03406	0.7
69.07060	9.9
69.66300	6.5
72.42345	0.7
79.05484	10.8
81.07047	46.1
83.08606	2.3
84.04478	4.8
85.02897	1.1
91.05470	16.4
93.07037	21.8
95.04956	1.2
95.08595	61.7
96.04466	2.9
97.02865	3.2
97.10181	0.9
98.20693	1.4
103.05426	0.9
105.07018	52.5
106.07295	1.3
107.08582	40.6
109.06493	1.3
109.10146	38.3
114.05508	3.4
115.05412	2.9
117.06973	4.0
119.08566	35.2
121.06539	0.8
121.10127	14.9
123.11666	4.8
126.05523	5.1
128.06227	1.2
129.06972	2.9
131.08530	4.5
132.05762	1.3
133.06430	1.2
133.10114	33.7
135.11647	4.2
142.07747	4.1
143.04884	2.0
143.08540	4.8
144.06580	1.2
145.06480	1.1
145.10080	5.2
147.04353	1.0
147.07996	1.1
147.11668	53.2
148.12311	1.4
156.09261	0.8
157.06503	1.2
157.10095	11.7
159.11691	3.6
160.05177	7.2
161.05811	1.1
161.09592	2.3
161.13251	20.3
170.10933	1.1
172.03873	0.9
173.13261	1.0
175.07552	7.4
175.11227	1.5
175.14812	8.7
185.06038	0.8
185.09593	0.9
185.13243	3.9
188.04668	1.9
203.03377	1.7
203.06993	15.1
203.08922	1.2
203.10565	5.4
203.14343	12.1
203.17935	100.0
204.08667	2.9
204.13873	2.8
204.18288	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.12661	0.9
55.05505	12.3
57.07057	2.4
67.05495	40.2
69.03432	1.3
69.06741	1.3
69.07061	18.3
69.73835	1.0
71.05274	2.4
71.05620	1.4
79.05485	11.8
79.92686	1.1
81.07046	48.9
83.08601	5.6
86.15592	1.0
91.05468	17.9
93.07031	23.5
95.04976	1.8
95.08594	82.1
96.04454	1.2
97.02869	1.3
97.10162	1.5
103.05458	1.2
105.07014	65.5
107.08577	33.1
109.06510	1.9
109.10144	85.4
110.10482	1.6
112.27249	0.9
113.28419	1.1
114.05472	1.9
114.63863	1.0
115.05440	1.8
117.06977	3.5
119.08565	59.1
120.08890	1.8
121.10131	22.2
123.11681	9.0
126.05511	1.6
131.08543	5.2
133.10110	46.5
135.11681	7.8
143.08559	2.5
145.10100	7.5
146.10683	1.0
147.11667	75.8
148.12070	1.8
156.37201	1.1
157.10101	2.3
159.11682	4.0
160.05159	2.0
160.12447	3.7
161.09572	3.1
161.13245	24.0
173.09602	1.6
175.07555	2.1
175.11220	1.2
175.14818	8.4
182.66670	1.1
185.09563	1.1
185.13225	3.2
203.06967	3.3
203.10648	3.4
203.14320	6.5
203.17931	100.0
204.08615	1.3
204.18289	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	203.1792
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
51.02372	0.6
51.40194	0.5
53.03931	1.3
55.05501	8.0
56.27173	0.5
57.07056	1.5
60.04509	2.5
65.03918	0.6
67.05498	17.5
68.05013	1.5
69.07056	9.1
69.65764	4.7
72.47452	0.5
79.05477	9.0
81.03392	0.7
81.07046	48.4
83.08610	2.5
84.04482	3.5
85.02899	1.4
91.05467	11.6
93.07036	20.9
95.04967	1.6
95.08595	62.9
96.04471	2.5
96.08923	0.9
97.02866	3.3
97.10145	1.2
98.06060	0.6
98.21399	1.3
99.04438	0.8
103.05441	1.1
105.07018	44.9
106.07324	1.0
106.79681	0.6
107.08581	37.6
109.06489	1.3
109.10148	36.1
110.63132	0.5
114.05509	2.5
115.05444	1.5
117.06994	2.3
119.08565	35.8
121.09262	0.9
121.10126	14.5
123.11688	6.8
126.05489	3.7
128.06178	1.2
129.06992	1.8
131.08549	4.7
133.10110	25.9
135.11679	3.5
135.82443	0.6
138.37741	0.5
142.07805	1.0
143.08545	1.3
144.09357	0.7
145.06415	1.3
145.10118	5.2
147.04402	0.7
147.08031	1.0
147.11665	52.7
148.12386	0.7
157.10114	2.7
159.11687	6.6
160.05110	0.9
160.12378	1.1
161.09575	1.7
161.13246	18.4
168.06451	1.0
170.10892	1.1
173.13254	1.2
175.07526	1.6
175.14816	8.6
185.05904	0.8
185.09703	0.8
185.13239	2.4
188.08301	0.6
195.15929	0.6
202.35326	0.5
203.03311	1.6
203.06992	3.2
203.10652	3.6
203.14584	6.6
203.17932	100.0
203.21941	2.4
204.06689	0.8
204.08669	2.5
204.13829	2.1
204.18277	2.3
217.03885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
50.80210	0.8
53.03936	1.4
55.05511	6.8
57.07061	1.2
60.04511	3.2
65.12173	0.7
67.05503	20.0
67.21093	0.7
68.05013	2.3
69.06712	1.3
69.07053	7.9
69.19689	0.8
70.06433	3.7
79.05477	9.8
81.07049	50.4
83.04999	0.8
83.08606	1.6
84.04488	6.1
85.02910	1.0
91.05471	13.8
93.07036	21.4
95.04945	2.2
95.08596	63.5
96.04487	3.5
97.02889	3.9
103.05426	1.2
105.07020	44.4
107.08585	37.5
109.06480	1.2
109.10146	43.7
110.10480	1.2
114.05520	4.5
115.05446	1.4
117.07006	2.2
119.08568	34.1
121.10128	13.8
123.11713	5.5
126.05506	8.0
127.04043	1.0
127.09805	0.8
128.06239	1.2
129.06999	1.0
131.08556	3.7
133.06505	1.0
133.10115	28.9
135.11685	4.4
143.08530	1.3
144.06525	1.1
145.10056	4.0
145.89954	0.8
147.08018	1.6
147.11673	49.1
157.10118	2.5
159.11678	3.3
161.09615	1.9
161.13248	17.4
170.10889	1.4
173.13385	1.2
175.07547	1.3
175.14813	10.0
185.13283	2.9
189.11476	0.8
201.16357	1.1
203.03439	1.6
203.07033	1.4
203.10590	2.1
203.14380	15.8
203.17941	100.0
204.06833	0.8
204.08586	4.7
204.13812	4.3
204.18239	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	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05506	7.7
55.05716	1.2
57.07065	1.8
60.04515	1.3
67.05494	18.9
69.07059	7.8
71.05708	1.8
71.06041	2.5
79.05479	10.9
81.07047	42.6
83.08604	2.8
91.05479	11.8
93.06503	1.7
93.07035	20.0
95.05015	1.4
95.08595	68.4
97.10162	1.2
105.07019	42.1
107.08581	37.7
109.09404	2.5
109.10144	47.7
112.74451	1.1
117.07001	3.0
119.08561	37.5
121.10129	14.3
122.10423	1.0
123.11697	6.8
126.05521	1.3
129.06985	1.1
131.08543	3.9
133.06477	1.0
133.10107	32.3
135.11665	3.8
142.07747	1.7
145.10071	5.7
147.11670	50.9
157.10170	2.1
158.89954	1.2
159.11685	2.8
161.13249	20.7
162.62308	1.3
175.07481	1.4
175.14809	8.9
203.07057	2.3
203.10635	4.2
203.14273	3.8
203.17931	100.0
204.18250	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03923	2.3
55.05268	1.2
55.05504	14.1
56.28577	0.9
57.07054	2.7
60.04505	2.1
62.12090	0.8
65.03922	2.0
67.05495	26.1
68.05022	1.2
69.03429	1.2
69.07058	15.8
79.05481	13.4
81.07043	51.9
83.04965	1.2
83.08601	4.2
84.04478	2.2
85.02903	1.1
91.05466	24.9
93.07031	28.2
94.19337	0.9
95.04961	3.4
95.08591	74.2
96.04485	1.9
96.08912	1.0
97.02871	2.3
97.06516	1.2
97.10162	3.2
103.05455	1.4
105.07013	77.1
106.06590	0.9
106.07295	1.6
107.08577	43.1
108.08905	1.5
109.06517	3.1
109.10140	48.6
115.05412	3.6
116.06219	1.1
117.06985	10.0
119.08560	64.3
120.08949	1.4
121.06456	1.8
121.10130	22.1
123.11681	8.0
126.05495	3.2
128.06203	5.0
129.07018	5.3
130.07782	1.9
131.08549	38.0
133.06458	1.7
133.10109	71.4
134.10490	1.6
135.08028	1.3
135.11684	4.6
141.06920	2.0
142.07765	3.9
143.08549	17.0
144.06519	1.3
144.09296	2.2
145.10094	17.1
146.07216	1.3
146.10796	1.3
147.08014	4.2
147.11664	68.6
148.11971	1.5
155.08527	3.4
156.09311	3.2
157.10118	12.5
159.08014	1.4
159.11652	12.0
160.05226	1.3
160.08734	1.0
160.12323	2.0
161.09589	8.3
161.13249	29.1
170.10915	6.0
173.13243	19.9
174.10367	1.1
174.13966	3.6
175.07516	2.1
175.11151	2.7
175.14781	22.7
185.09682	1.4
185.13231	33.9
189.11421	1.0
203.03439	1.0
203.06975	4.1
203.10629	4.3
203.14304	38.9
203.17931	100.0
204.08643	2.6
204.18204	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03930	1.9
55.05283	1.2
55.05505	16.8
57.07047	3.6
58.61779	1.1
67.05498	21.2
68.05027	2.1
69.07060	23.6
79.05491	12.7
81.07053	25.1
83.08613	4.5
84.04482	4.8
91.05462	26.4
93.07036	24.2
95.04961	1.8
95.08005	2.6
95.08595	48.8
96.04478	2.0
97.02854	3.8
97.10140	5.2
105.07018	83.0
107.07910	2.4
107.08582	32.1
109.09402	2.3
109.10138	35.7
114.05510	3.0
117.06948	3.6
117.35287	1.3
119.08570	67.1
121.10121	17.9
123.11683	5.8
126.05508	5.7
129.07037	1.9
131.08585	6.9
133.10114	89.5
134.10416	2.5
135.11661	5.7
144.06593	1.6
145.10104	9.0
147.11670	69.7
148.12222	1.5
159.11682	5.8
160.12454	4.2
161.09604	3.2
161.13246	29.9
173.13210	2.4
174.14024	3.0
175.14786	9.8
203.10706	2.2
203.14519	6.2
203.17937	100.0
204.08559	2.2
204.13864	3.3
204.18279	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
50.27162	1.3
53.03926	2.4
53.43029	1.3
55.01863	1.2
55.05275	1.6
55.05502	19.1
56.05028	1.7
57.03431	7.2
57.07055	5.2
59.01514	1.3
60.04519	13.5
67.05490	20.7
68.05016	9.9
69.03397	3.4
69.07053	16.7
71.53061	1.2
79.05481	13.6
81.03390	2.6
81.07043	28.0
83.08590	5.4
84.04487	17.5
85.02872	4.7
91.05463	32.1
93.07030	21.8
95.04946	4.5
95.08589	54.5
96.04479	12.3
97.02876	13.5
97.10143	2.1
98.06044	3.5
98.21508	1.8
103.05417	1.5
105.07013	74.3
107.08578	43.8
109.06501	3.6
109.10132	32.1
110.06009	3.0
114.05505	14.9
115.05426	3.0
117.06999	11.7
118.07815	1.7
119.04845	1.4
119.08559	87.1
120.08849	1.5
121.10110	19.3
122.05972	1.9
123.08010	4.4
123.11679	3.9
126.05495	23.5
128.06194	4.2
129.06973	7.4
131.08546	66.1
133.06471	3.0
133.10104	95.5
134.10460	2.8
135.08023	1.8
135.11676	7.2
138.05498	3.5
142.07755	5.9
143.08551	10.8
144.06491	4.0
144.09305	2.9
145.04980	1.4
145.06424	2.3
145.10100	18.6
147.08014	5.7
147.11661	70.4
153.95935	1.4
156.06471	1.8
156.09309	3.2
157.06351	1.5
157.10115	11.3
158.10831	2.1
159.11678	14.2
160.08859	1.5
160.12471	2.4
161.05887	2.2
161.09578	8.7
161.13239	30.5
168.06514	2.7
170.10875	3.5
173.13235	39.0
174.13933	4.6
175.07448	1.6
175.11211	2.1
175.14764	18.6
179.14284	12.2
185.06018	1.6
185.09599	2.5
185.13211	21.2
186.07564	1.6
186.13541	1.4
189.11441	2.2
203.03313	4.2
203.05188	1.7
203.06989	5.2
203.10742	7.4
203.14297	54.5
203.17924	100.0
204.08591	14.3
204.13782	15.9
204.18271	3.5
205.15752	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1791
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05275	0.9
55.05505	12.0
57.07058	4.3
60.04509	2.2
63.48044	0.7
63.96395	0.9
65.03928	0.9
67.05493	14.0
68.05000	1.9
69.03446	1.0
69.07053	14.4
69.38541	2.3
69.38968	6.8
71.08608	1.3
79.05484	6.6
81.07045	15.3
83.08608	5.5
84.04495	6.8
88.96989	0.7
91.05465	14.8
93.07023	14.3
94.10223	0.8
95.04962	0.8
95.08590	37.8
96.04478	4.1
96.08923	1.0
97.02892	4.5
97.10150	2.0
98.06071	0.8
105.07014	48.8
106.07288	1.1
107.08579	20.8
109.10139	25.4
110.10522	1.0
114.05515	3.5
115.05414	1.2
117.07016	3.8
119.08561	65.1
120.08883	2.0
121.10120	14.4
123.11691	4.1
126.05500	9.2
131.08519	8.2
132.09354	1.2
133.10107	80.8
134.10446	1.5
135.11671	5.7
143.08505	0.8
144.06499	2.1
145.10120	9.7
145.59795	0.9
146.10822	1.0
147.08105	1.4
147.11662	56.4
148.12010	2.3
159.11655	9.9
160.12495	4.2
161.13234	28.4
165.97748	0.7
173.13219	2.1
174.13957	4.9
175.07527	0.9
175.14787	9.5
186.07642	0.8
203.03461	0.9
203.06984	1.1
203.14223	2.6
203.17928	100.0
204.06635	0.8
204.08549	4.5
204.13783	2.9
204.18236	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	203.1792
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03935	1.4
55.01152	0.9
55.05505	11.4
55.43975	0.9
57.06842	1.0
57.07071	12.1
60.04504	4.2
67.05492	16.4
68.05011	4.0
69.03403	1.3
69.07055	14.7
70.87121	2.9
79.05466	6.3
81.03371	1.5
81.06604	1.5
81.07043	15.4
83.01295	1.1
83.08595	6.9
84.04496	10.2
85.02882	1.8
89.60181	0.9
91.05458	16.5
93.07034	11.3
95.04929	1.3
95.08595	38.1
95.99567	1.0
96.04479	6.0
96.08915	1.2
97.02879	7.4
97.10159	1.1
98.06055	1.7
100.48027	0.9
103.05468	1.4
105.07016	59.1
107.08580	20.5
109.10136	29.8
114.05506	6.9
115.05428	1.6
117.07008	3.4
119.08565	87.0
120.08876	1.7
121.10136	16.1
123.11690	4.1
126.05492	14.0
128.06230	1.7
129.06947	1.7
131.08575	7.7
133.10112	86.3
134.10498	1.2
135.11647	2.8
138.05486	1.4
142.07817	1.5
143.08563	1.5
144.06525	3.5
145.10110	14.6
147.11667	90.1
148.12068	1.7
157.10095	2.3
159.11707	7.8
160.12460	7.4
161.13240	50.0
162.13654	1.3
168.06575	2.4
173.13242	3.4
174.13994	2.0
175.14772	7.9
185.13219	2.1
186.07750	1.2
203.03304	1.4
203.07004	2.1
203.10701	2.3
203.14259	4.2
203.17937	100.0
204.08653	6.5
204.13850	5.9
204.18295	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	203.1792
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
52.77203	1.4
53.03939	2.7
53.38628	1.1
55.05502	14.5
57.07059	2.6
58.62810	1.1
60.04497	2.2
67.05494	22.7
69.06688	1.7
69.07055	30.5
69.40943	2.6
69.41354	11.8
79.05478	13.3
81.07042	60.7
83.08607	10.3
84.04478	2.9
91.05457	20.4
93.07037	22.4
93.24397	1.1
95.08590	64.5
96.04477	2.7
97.02876	2.3
97.10140	3.1
99.31246	1.3
103.05425	1.4
105.04452	1.3
105.07013	70.6
107.08575	33.8
109.10143	38.7
115.05393	2.6
117.06982	4.8
119.08563	76.9
120.08884	1.7
121.10126	22.6
123.11683	12.6
126.05476	2.5
128.06221	1.4
129.06996	3.7
131.08549	10.0
133.06624	1.3
133.10109	51.6
135.11684	8.9
142.07684	1.8
143.08542	8.0
144.09366	2.0
145.10097	15.2
147.08084	1.7
147.11662	81.3
148.12291	1.8
157.10117	4.3
159.11702	9.4
160.05170	1.8
160.12434	9.1
161.09558	4.3
161.13242	34.7
170.10880	2.6
173.13266	2.4
174.13936	1.3
175.07448	3.6
175.14793	8.1
185.13225	14.0
188.04559	1.5
203.06987	3.8
203.10637	5.1
203.14375	10.3
203.17929	100.0
204.10313	1.3
204.13734	1.7
204.18324	2.8
211.21373	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03932	2.0
55.05503	13.0
57.07054	4.5
57.43518	1.0
60.04518	6.8
61.02915	1.5
65.20049	1.0
67.05495	19.3
68.05016	6.6
69.03429	1.3
69.06737	1.4
69.07058	16.3
69.93866	3.7
69.94279	2.2
72.04524	1.1
79.05492	7.3
81.06600	1.8
81.07044	22.0
83.08604	7.1
84.04500	15.0
85.02879	2.6
91.05466	19.6
93.07040	17.4
95.08590	49.9
96.04480	9.2
96.54782	1.2
97.02886	12.7
97.10117	1.8
98.06005	2.0
98.20816	1.5
103.72176	1.0
105.07016	73.9
107.08578	27.1
109.02913	1.0
109.06493	1.4
109.10142	28.6
110.06036	1.6
111.62610	1.3
114.05506	9.1
115.05406	1.0
117.06995	4.1
118.07794	1.2
119.08565	73.2
119.93180	1.0
120.08924	1.5
121.10122	23.2
123.11674	4.0
126.05499	18.9
127.03822	1.1
128.06262	1.1
129.06993	2.4
130.06479	1.1
131.08540	6.9
133.10110	62.4
135.11661	4.9
135.12514	1.0
138.05565	1.4
142.07669	1.3
143.08545	1.7
144.06517	3.1
145.10100	10.4
147.11664	76.4
151.26633	1.1
157.06467	1.3
157.10088	1.6
159.11690	5.4
160.05196	2.0
160.12491	5.1
161.09619	2.3
161.13240	31.8
168.06473	2.7
170.10901	1.7
173.13269	1.3
174.14021	1.3
175.07558	1.7
175.10985	1.2
175.14830	9.4
185.13231	2.1
188.15588	1.4
189.11450	1.6
203.03355	2.7
203.06985	2.3
203.10593	2.7
203.14287	6.1
203.17934	100.0
204.08595	8.6
204.13774	6.4
204.18251	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1791
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
50.88645	1.1
55.05492	11.2
56.05012	1.1
57.06843	0.9
57.07065	13.0
60.04499	4.5
61.02909	1.3
63.77611	1.0
65.03928	1.5
67.05497	16.3
67.29338	0.9
68.05007	4.3
69.07057	14.4
69.37511	11.3
74.56093	0.9
79.05480	6.3
81.07043	13.3
83.08614	5.0
84.04486	9.4
85.02873	1.7
91.05461	17.6
93.07031	11.3
95.04945	2.0
95.08588	38.4
96.04474	6.8
97.02866	5.1
97.10156	1.4
98.21519	1.7
105.07010	48.4
105.07716	2.4
105.33319	0.9
106.07333	1.1
107.08574	20.2
109.06503	1.6
109.10143	25.8
110.06039	1.3
114.05491	4.7
115.05417	1.3
117.06977	3.6
118.07787	1.0
119.08560	84.7
120.08899	1.6
121.10111	15.1
123.11674	3.6
126.05507	11.9
129.06990	1.5
130.07735	0.9
131.08549	7.5
133.06474	1.4
133.10106	75.9
134.10365	1.1
134.70580	1.0
135.08014	1.1
135.11664	2.8
138.05470	1.4
139.76401	1.1
142.07724	1.4
143.08546	2.1
144.06523	1.4
145.10072	12.2
146.10837	1.1
147.11661	84.0
148.12003	1.6
157.10030	2.7
159.11702	6.4
160.12450	6.2
161.09573	2.1
161.13239	39.9
168.06528	1.7
173.13190	2.4
174.14012	2.4
175.14812	7.5
185.13289	1.1
188.15669	1.3
203.03447	1.5
203.06961	2.2
203.10561	1.9
203.14363	8.6
203.17924	100.0
204.08659	6.0
204.13795	3.7
204.18289	2.9
224.63379	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96540	2.5
71.13390	5.5
71.13736	3.6
76.46333	2.3
80.97723	2.8
82.01438	11.1
98.97571	10.8
100.02478	50.8
101.00883	12.5
116.98611	7.9
118.03505	36.6
119.01900	100.0
120.02012	7.7
121.01620	3.9
134.99615	3.6
137.02937	43.8
138.03052	4.8
139.33313	2.4
142.03479	39.4
143.03592	3.3
151.13503	2.5
160.04504	29.8
161.02943	15.7
161.04628	4.5
177.00925	7.2
178.01044	7.9
178.05537	6.9
179.00723	6.9
179.03987	30.7
179.98120	11.1
190.49579	2.9
196.97920	2.7
197.96300	2.7
197.99107	42.0
199.50082	19.1
200.00079	4.8
200.50058	3.1
202.05704	3.4
216.03618	2.5
220.02098	13.5
222.44737	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	203.1793
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03918	1.7
55.05510	12.3
57.07060	4.2
60.04513	3.5
67.05497	15.6
68.05004	4.7
69.03406	1.7
69.07060	21.5
69.51140	8.6
69.51563	4.6
71.04975	1.5
71.98644	1.2
72.91463	1.3
79.05486	10.1
81.03415	1.3
81.07046	25.4
81.07492	2.8
81.45502	1.3
82.80193	1.6
83.08595	5.7
84.04504	11.5
85.02910	1.9
90.65251	1.6
91.05468	20.9
93.07032	19.5
95.04910	2.4
95.08602	44.8
96.04488	7.8
97.02885	10.2
97.10160	2.1
98.06040	2.3
103.05437	2.1
105.07016	74.2
105.47353	1.5
107.07912	2.0
107.08582	26.8
109.09402	2.0
109.10148	32.2
110.06036	2.3
114.05504	9.7
117.07000	3.7
119.08569	70.2
121.10139	19.0
123.11680	6.5
126.05521	17.6
127.03908	2.0
129.06985	3.4
131.08537	7.4
133.10112	64.1
135.11685	4.4
138.05470	2.1
144.06528	2.4
145.10138	9.4
147.04311	1.6
147.08023	1.9
147.11670	64.1
148.12224	1.4
157.10110	3.4
159.11681	5.8
160.12386	5.5
161.09554	1.9
161.13248	34.1
167.08769	1.4
173.13232	2.6
174.14084	3.3
175.07452	1.8
175.14813	9.4
185.13235	1.7
186.07617	1.3
188.08244	1.3
189.11333	1.5
195.76047	1.3
203.03287	3.2
203.10646	5.6
203.14406	10.1
203.17932	100.0
204.06822	1.7
204.08601	10.5
204.13722	9.2
204.18301	1.8
224.63165	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1634
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03937	0.9
55.05486	3.1
57.07054	2.9
59.78527	0.7
67.05495	7.5
69.07067	5.4
69.82933	5.0
71.08606	2.5
79.05485	7.8
81.07047	17.2
83.08609	1.6
91.05461	13.9
93.07034	15.2
94.89082	0.9
95.04958	1.3
95.08591	16.0
103.05445	1.7
105.07011	24.9
107.08574	18.3
107.16100	0.8
109.10128	3.1
115.05409	4.0
116.06259	1.1
117.07002	15.9
119.08552	16.3
121.06510	1.2
121.10111	6.0
126.05560	0.7
128.06200	3.1
129.06976	5.3
130.07779	6.9
131.08548	49.4
132.08867	0.9
133.10115	9.1
141.07005	1.3
142.07761	2.3
143.08556	7.6
144.09329	7.5
145.06429	2.4
145.10101	100.0
146.10683	2.8
147.11682	1.1
155.08511	3.3
156.09265	1.1
156.11838	0.7
157.10080	9.3
158.03633	1.1
158.07242	1.5
158.10855	3.3
159.08026	2.2
159.11673	58.3
160.12079	1.7
171.08180	0.9
171.11659	4.0
172.12450	2.9
173.05977	3.2
173.09581	1.4
173.13240	21.5
183.07915	0.9
183.11673	1.4
186.03073	1.0
186.13950	5.6
201.05450	7.1
201.09052	5.6
201.12694	5.6
201.16362	97.5
202.16689	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	201.1634
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
51.92245	0.7
52.59895	0.7
55.05491	3.2
57.07049	2.6
58.96406	0.6
60.85045	0.7
61.12408	0.7
67.05495	4.1
68.71919	0.6
69.07063	3.7
69.62846	0.8
79.05476	5.9
81.07044	7.3
83.08588	1.1
91.05466	14.2
93.07032	7.7
95.04945	1.3
95.08589	14.4
105.07012	14.6
107.08581	12.6
109.10103	1.6
115.05432	3.3
116.06189	2.9
117.07011	10.9
119.08564	16.6
121.10124	3.1
128.06165	2.2
129.06129	0.9
129.06963	5.2
130.07791	4.7
131.08542	73.3
132.08887	1.1
133.10106	18.3
142.07710	2.0
143.08528	6.9
144.09291	4.8
145.10103	53.0
146.10709	2.2
147.11653	1.3
147.23227	0.7
157.10089	12.4
158.10854	3.7
159.11671	56.1
160.12042	1.9
171.11670	4.9
172.12453	7.2
173.13237	16.0
186.13916	3.9
188.63919	0.8
199.14726	1.0
201.05455	1.8
201.12598	2.9
201.16354	100.0
202.16708	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	201.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.05493	3.1
57.07055	3.2
67.05492	6.4
68.48485	0.7
69.07058	5.6
70.26199	1.6
70.26607	2.5
71.08620	2.9
79.05479	9.8
81.07046	25.9
83.08581	1.4
86.49224	0.6
91.05466	16.6
93.07030	14.2
95.04953	1.4
95.08595	13.4
103.05468	0.8
105.07014	28.6
107.08575	19.6
109.06523	1.1
109.10150	4.7
111.04371	0.9
115.05433	4.9
116.06201	0.9
117.06171	0.8
117.07005	16.0
119.08561	16.7
121.06470	0.9
121.10119	8.6
127.03894	1.2
128.06197	1.7
129.06987	5.5
130.04131	0.9
130.07787	8.8
131.08548	50.9
133.10112	11.2
138.43466	0.7
141.06949	2.1
142.07748	1.2
143.04907	1.1
143.08540	9.2
144.09322	6.0
145.06436	3.1
145.10103	97.1
146.10709	3.0
147.11638	1.5
153.06995	1.3
155.08540	5.6
157.10114	9.8
158.03604	1.9
158.07234	1.1
158.10876	4.1
159.11671	63.0
160.12119	1.6
168.05600	0.8
168.09377	0.8
169.72736	0.8
171.11644	4.7
172.12422	3.0
173.05972	4.7
173.09605	2.2
173.13240	22.7
174.13577	0.8
183.08031	2.1
183.11629	1.5
186.03053	0.8
186.06755	1.7
186.10213	0.8
186.14049	4.2
201.05457	7.8
201.09106	10.7
201.12785	6.8
201.16357	100.0
202.16684	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	201.1635
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
53.03917	0.8
54.59178	0.6
55.05499	1.2
57.07057	1.9
58.84483	0.5
59.21384	0.5
67.05476	2.4
69.07048	2.5
69.07385	0.5
70.51033	2.3
70.64281	0.6
79.05479	3.7
81.07046	5.2
83.08610	0.7
88.53355	0.5
91.05470	7.7
93.07040	4.9
95.03657	0.6
95.08608	5.4
97.74498	0.5
105.07018	9.3
107.08587	6.8
109.10128	1.5
110.09055	0.5
115.05413	1.6
116.06184	1.8
117.07005	6.8
118.96774	0.7
119.08571	6.7
121.10130	2.4
128.06206	1.3
129.06973	3.5
130.07724	3.3
131.08554	58.6
133.10120	10.2
142.07793	1.4
143.08551	6.1
144.09328	3.4
145.10106	41.6
146.10579	0.9
147.11673	0.8
155.08585	0.6
157.10110	10.5
158.10873	2.1
159.11674	46.1
160.12061	1.4
171.11668	5.2
172.12440	6.6
173.13245	16.7
183.11732	0.6
186.14024	10.2
199.14668	0.6
201.05466	1.3
201.16362	100.0
202.16658	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	201.1634
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
55.05493	2.8
57.07050	2.4
61.16267	0.6
67.05497	4.2
69.07061	3.2
70.84454	1.9
71.08636	1.2
75.85078	0.6
79.05473	5.9
81.07040	7.8
83.08592	0.9
91.05466	10.5
93.07034	9.7
95.08590	11.3
103.05434	1.1
105.07017	14.3
107.08586	12.2
109.06499	0.8
109.10143	2.3
115.05432	2.0
116.06240	1.1
117.06997	8.1
117.69783	0.6
119.08569	10.5
121.10104	4.5
128.06233	1.0
129.07018	5.1
130.07765	4.7
130.61902	0.6
131.08545	62.7
132.09000	0.8
133.10114	12.4
138.92429	0.7
142.07771	1.7
143.08540	6.1
144.09329	4.6
145.06375	1.1
145.10097	48.6
146.10880	1.8
147.11671	1.3
155.08470	1.1
156.09274	0.9
157.10097	10.6
157.11237	1.0
158.10851	2.7
159.11676	54.9
160.12044	1.4
171.11679	5.7
172.12425	6.8
173.06044	0.7
173.13232	19.3
185.13208	0.7
186.13995	8.6
201.05457	2.4
201.09171	1.4
201.12627	2.5
201.16360	100.0
202.16721	2.8
221.01968	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1634
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
55.05489	1.7
57.07048	2.1
66.94379	0.6
67.05479	2.5
69.07047	2.2
70.22851	2.7
70.93082	0.6
71.49674	0.6
79.05471	2.2
81.07029	3.8
91.05455	6.8
93.07017	2.9
95.08601	5.6
105.07013	8.2
107.08585	4.7
115.05385	1.4
116.06194	1.7
117.06997	5.6
119.08556	6.1
121.10105	1.6
122.02492	0.6
128.06195	1.0
129.07004	4.1
129.49660	0.6
129.87358	0.6
130.07768	4.2
131.08543	62.9
132.08841	1.0
133.10097	10.5
142.07747	1.2
143.08575	5.5
144.09363	3.5
145.10100	35.5
146.10759	0.8
152.75916	0.7
157.10106	12.6
158.10904	2.5
159.11665	59.4
160.12013	1.8
171.11635	3.7
172.12437	7.5
173.13231	18.1
186.13979	4.7
201.05498	1.1
201.16353	100.0
202.16661	3.5
221.58452	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1636
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
51.61575	0.8
52.96751	0.7
53.03933	1.6
53.07037	0.6
55.05494	3.5
57.07050	2.1
61.77467	0.7
67.05506	8.1
69.07066	5.7
69.45608	2.2
69.46033	5.4
71.08606	1.2
72.45910	0.8
79.05480	8.5
81.07050	19.0
83.08611	1.9
91.05479	15.6
93.07036	17.9
95.04943	2.1
95.08593	17.9
103.05482	0.9
104.09577	0.7
104.36121	0.7
105.07019	31.4
105.07722	1.7
106.07340	1.0
107.08586	25.8
109.06498	1.4
109.10155	6.0
115.05447	13.0
116.06208	1.3
117.07014	20.4
119.07728	1.4
119.08567	22.6
121.10146	12.2
125.58337	0.9
128.06226	1.9
128.56877	0.8
129.06985	5.5
130.07782	6.9
131.04837	1.0
131.08556	38.9
132.08870	1.1
133.10127	8.6
141.06993	2.7
142.07709	1.5
143.04901	5.6
143.08577	7.0
144.09312	4.8
145.06470	3.0
145.10114	80.0
146.10780	3.4
147.11641	1.0
157.10114	7.1
158.03674	1.2
158.07254	1.5
158.10878	2.8
159.08026	2.2
159.11684	64.1
160.12109	1.8
168.09370	1.0
169.06451	1.1
171.11707	2.1
173.05974	19.1
173.09604	1.9
173.13242	19.0
174.06352	0.8
186.10420	0.9
186.14047	2.9
201.05453	36.5
201.07365	1.8
201.08980	4.0
201.12665	4.4
201.16368	100.0
202.05779	1.5
202.16696	3.4
206.78638	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1635
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
53.03941	1.1
55.05503	1.7
56.04667	0.4
57.07062	3.1
57.60592	0.4
63.02394	0.4
65.03941	0.5
67.05499	4.8
69.07065	3.1
70.99203	1.4
71.08614	2.7
79.05489	4.3
79.77888	0.5
81.07041	8.6
83.08612	0.9
84.68365	0.4
87.74535	0.5
91.05460	9.8
93.07034	9.7
93.07588	0.8
95.04970	1.0
95.08595	9.2
103.05485	0.8
105.07016	19.4
105.98611	0.4
107.08581	11.0
109.06507	0.7
109.10130	2.0
111.53826	0.4
115.05418	2.3
116.06232	1.3
117.06999	10.0
117.07796	0.7
117.87730	0.4
119.08563	12.0
121.06548	0.5
121.10130	4.8
128.06210	1.5
129.06990	4.3
130.07779	6.5
131.08549	44.9
132.08932	0.7
133.10117	6.5
137.05898	0.6
141.07001	0.6
142.07791	1.2
143.08545	5.9
144.09314	5.2
145.10103	100.0
146.10461	2.2
147.11668	1.0
153.06911	0.5
155.08456	0.8
157.10120	6.7
158.10921	3.0
159.08081	1.2
159.11673	47.8
160.12022	1.2
171.11679	3.1
172.12405	2.1
173.05957	1.5
173.13235	16.7
183.11690	0.5
186.03096	0.5
186.10344	0.6
186.14026	3.5
199.14835	1.0
201.05501	4.2
201.09142	2.0
201.12682	4.2
201.16360	91.9
202.16638	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	201.1118
Annotation	Gelsemiol
Peak:m/z	Relative Intensity
53.03928	4.2
54.60501	1.3
55.01887	2.7
55.05502	10.0
56.05026	1.5
56.96553	5.9
57.03409	4.3
57.07050	1.9
59.04984	3.1
59.06101	2.9
59.93106	1.2
60.04478	1.1
63.58187	1.3
67.05489	20.8
69.03397	4.0
69.07038	3.5
70.06569	3.8
70.68797	4.3
71.04964	3.4
72.08143	2.4
72.93755	1.3
73.02888	2.5
79.05482	35.8
81.03397	3.8
81.06604	2.0
81.07043	26.9
82.06557	2.0
83.04958	3.2
84.04484	1.3
84.08131	2.0
85.02894	8.3
86.06055	1.2
86.09708	3.9
91.05466	33.7
93.07027	73.3
94.07372	1.7
95.04944	12.4
95.06050	1.2
95.08594	12.3
97.02862	3.9
97.06470	3.1
97.12476	1.3
98.05988	1.2
98.97574	6.3
99.04471	1.5
100.03963	1.3
101.02333	1.9
103.05440	3.6
105.07021	10.9
107.04940	4.0
107.08567	8.4
109.06496	4.3
109.10142	30.5
111.04404	2.6
111.08072	2.0
113.05989	3.2
115.05437	2.2
116.68517	1.2
116.98582	5.9
117.07000	6.6
118.96729	6.5
119.04906	5.6
119.08569	24.4
120.08040	1.2
121.06525	2.0
121.10129	26.5
122.09626	1.8
123.04404	3.7
123.08034	3.5
123.77106	1.4
124.11217	2.0
125.05968	2.9
125.09604	1.6
127.03919	5.6
128.06181	4.2
129.06952	3.8
130.07730	1.6
131.04921	3.8
131.08575	6.6
132.05701	3.0
134.99617	5.7
136.07558	9.3
137.04141	2.3
137.05893	6.1
137.09607	6.8
141.05435	1.5
141.07036	1.5
142.07745	2.2
143.08565	10.3
145.06433	3.5
145.10121	7.5
147.02570	1.4
147.08006	5.2
153.00647	1.6
153.05464	2.7
153.06967	2.5
153.09074	5.2
154.96391	2.4
155.04845	1.8
155.06972	1.5
155.08508	4.5
157.10083	1.7
159.08058	2.5
159.11649	5.6
165.03661	11.4
165.05289	2.6
165.07408	4.2
165.09084	47.0
166.09485	2.2
168.02417	3.5
173.05930	3.6
173.09604	3.0
173.13205	3.1
177.00662	3.1
177.98076	4.1
183.04657	5.2
183.06534	4.1
183.10138	100.0
183.11545	4.0
184.10660	3.0
186.04390	1.8
190.06358	3.8
201.05482	11.4
201.09041	6.5
201.11147	3.1
201.12827	9.4
201.16231	5.3
202.08597	1.5
202.10631	1.7
209.73691	1.3
210.06471	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	201.0542
Annotation	5-Methylangelicin
Peak:m/z	Relative Intensity
54.80130	0.3
60.33578	0.3
63.02384	0.4
65.03950	0.4
71.04978	0.3
71.53047	0.5
79.05454	0.4
81.07044	0.7
91.05473	3.5
93.07049	0.9
95.08583	0.6
105.07006	1.2
107.08581	0.7
115.05438	28.0
116.05798	0.4
117.07002	17.4
119.08583	0.8
128.06218	0.3
129.07063	0.4
131.04904	1.5
131.08553	3.8
133.10123	0.8
143.04904	12.0
143.06010	0.6
143.08543	0.8
145.06474	3.1
145.10088	3.9
157.10078	1.4
159.08029	0.5
159.11662	3.8
162.88025	0.2
171.04474	0.6
171.11691	0.3
172.05258	0.6
172.12437	0.5
173.05960	49.2
173.13211	1.3
174.06326	1.0
186.14095	0.6
201.05437	100.0
201.12677	1.0
201.16344	7.2
202.05775	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	1.0
53.03939	4.3
55.01867	9.5
55.05507	3.6
56.05028	1.0
56.20141	0.3
56.96559	12.8
57.03428	9.8
58.06594	0.3
58.99851	3.7
59.05000	1.0
59.99941	0.5
60.02142	0.4
61.02919	9.9
62.03236	0.4
63.89247	0.3
65.03933	5.8
66.04720	0.8
67.01865	0.5
67.05498	4.5
68.02641	0.5
68.05009	0.4
68.98300	0.8
68.99782	1.6
69.03421	35.0
69.07056	0.9
70.03752	1.3
70.06599	2.4
70.99851	0.9
71.01344	69.9
71.04983	3.7
71.69775	0.4
71.70174	0.5
71.95251	0.5
72.01677	1.4
72.08145	2.0
73.02907	13.5
73.03317	0.7
74.06091	0.5
74.09713	0.3
74.97616	0.4
75.04496	0.3
77.00904	5.0
77.03926	0.9
78.00969	0.9
79.00638	0.8
79.05483	23.1
80.05814	1.3
81.03407	24.1
81.07042	8.8
81.07536	0.5
81.89671	0.3
82.03738	0.7
82.06586	0.5
82.07386	0.4
82.99782	1.9
83.01332	1.2
83.04971	18.6
84.04488	1.5
84.05303	0.5
84.08136	3.5
84.96012	1.9
85.02894	22.9
86.03256	0.8
86.03700	0.4
86.06063	0.7
86.09694	1.9
86.99323	1.2
87.01904	0.7
87.04467	2.8
88.02666	1.1
89.00872	1.1
89.02367	0.4
90.46044	0.3
91.02470	0.6
91.03959	0.7
91.05471	11.0
92.02957	0.5
92.05791	0.8
92.52994	0.3
93.01878	1.7
93.03387	3.6
93.07046	2.3
94.02675	2.0
94.04179	1.1
94.99863	0.6
95.01994	2.2
95.04955	12.3
96.01967	0.5
96.05293	0.7
96.08092	0.3
97.02879	42.8
97.06504	1.8
98.03219	1.3
98.06042	0.3
98.97570	10.1
98.98220	0.5
99.01870	0.7
99.04441	4.8
100.01907	0.5
100.02600	2.5
101.00869	18.7
101.01504	0.7
101.02470	1.5
101.03436	2.1
102.00912	1.7
102.02390	1.9
102.97047	0.4
103.00611	0.6
103.02426	3.9
103.05450	0.4
105.00364	2.9
105.01900	0.6
105.03370	1.6
105.04521	1.1
105.07008	0.4
106.00438	0.4
106.02655	4.0
106.04208	0.4
107.01614	1.1
107.03421	2.1
107.04942	22.1
107.98898	0.4
108.02406	2.3
108.04190	0.5
108.05246	1.6
108.52411	0.5
109.02158	0.7
109.02859	8.8
109.06500	8.9
110.03683	1.0
110.06015	0.4
110.97551	1.2
111.00808	1.1
111.01858	1.7
111.02884	1.0
111.04433	14.3
112.02673	0.8
112.04752	0.5
112.59218	0.3
113.00868	4.0
113.01636	1.0
113.02348	16.6
113.03400	2.8
113.53548	0.4
114.00885	0.3
114.02387	2.8
114.04224	0.8
114.05516	0.5
114.52512	0.4
115.02404	6.5
115.03192	2.4
115.03923	0.8
115.53311	0.3
116.02117	0.7
116.98608	9.1
117.02108	0.9
117.02898	0.5
117.03981	0.9
118.01115	1.0
118.02630	1.6
118.03519	1.2
119.01906	100.0
119.03458	3.0
119.04892	6.1
119.08562	0.3
119.53250	0.7
120.02071	6.7
120.03477	0.5
120.04217	1.0
120.52485	1.2
121.01657	5.2
121.03388	3.1
121.06480	1.8
122.02093	0.9
122.03895	0.5
123.01389	1.3
123.02966	1.4
123.04417	7.6
124.02628	1.7
124.03692	0.8
125.02592	1.0
125.03435	1.4
125.04453	0.4
125.05974	1.9
125.53502	0.4
126.02364	1.8
126.04259	0.6
126.05411	0.3
126.52399	0.5
126.98866	0.4
127.02371	0.9
127.03132	2.8
127.03913	5.6
127.07558	0.4
127.53291	0.5
128.02118	3.4
128.03995	1.3
128.10704	0.4
128.52238	0.8
128.98558	2.3
129.00288	0.7
129.01990	1.5
129.02925	3.3
129.03966	1.7
130.01788	0.4
130.02684	0.6
131.01886	34.4
132.02107	4.2
132.04176	0.5
132.52481	1.0
133.01617	1.0
133.03477	17.3
133.53174	0.4
134.02145	0.6
134.03714	2.5
134.99652	6.6
135.03101	2.2
135.04375	24.3
136.02762	0.6
136.03682	2.3
136.04752	1.4
136.53670	0.5
137.02946	35.2
137.05942	9.3
137.52684	0.7
138.02298	0.8
138.03296	2.1
138.09088	0.6
138.53711	0.4
139.02426	1.8
139.03203	1.3
139.03972	0.7
139.07530	0.5
139.53104	0.7
140.00148	0.6
140.14360	0.4
140.98579	0.4
141.02910	7.4
141.03961	0.9
141.05461	0.9
141.06516	0.6
141.52965	1.0
142.03537	7.4
142.08636	0.8
143.01881	34.0
143.08542	1.1
143.53131	0.4
144.02049	3.4
144.03320	0.6
144.99825	3.5
145.01616	1.4
145.03401	11.7
145.99902	3.1
146.03232	2.1
146.99632	3.8
147.01379	5.5
147.02936	3.2
147.04323	2.2
147.05067	2.1
147.53072	0.8
148.01492	0.7
148.03679	2.3
148.04767	0.6
149.01122	0.7
149.02933	10.7
149.04695	0.5
149.05956	0.4
150.03265	2.0
150.53851	0.9
151.02501	0.7
151.03870	3.4
151.04504	2.6
152.04674	0.9
152.53708	0.9
153.00739	0.7
153.02827	1.2
153.03979	4.0
153.05450	14.0
154.03578	1.4
154.05777	0.8
155.01859	8.7
155.03268	0.6
155.06947	0.9
155.08202	1.2
156.02295	0.6
156.03413	1.4
156.05061	0.8
156.10254	0.7
157.03426	15.0
158.01305	0.4
158.03564	2.1
158.99660	3.6
159.01341	3.1
159.03180	1.1
159.05019	2.8
160.04564	2.5
161.02939	75.0
162.03133	9.1
162.53528	0.4
163.00969	0.7
163.02629	2.3
163.03830	18.3
164.00925	0.8
164.04210	1.9
164.53658	0.6
165.00708	1.2
165.02487	1.0
165.03979	5.1
165.05508	3.6
167.01840	2.3
167.05597	0.8
168.01347	0.4
168.02626	0.5
168.99812	1.9
169.01559	3.5
169.03445	11.0
169.04942	0.5
170.01141	1.1
170.03519	1.3
170.06557	0.4
170.99788	0.5
171.01370	4.5
171.03822	0.6
171.05046	7.7
171.54134	0.6
172.01471	0.3
172.05063	1.0
173.01309	0.8
173.02939	18.9
173.06554	0.7
173.12978	0.6
174.03041	1.9
175.01003	0.5
175.02591	1.3
175.04483	4.3
176.04684	1.0
177.00685	4.9
177.02431	3.9
177.04088	1.4
177.05994	0.4
177.77420	0.4
177.98119	0.4
178.02551	3.4
178.05696	0.5
179.02036	1.4
179.03902	1.9
179.05397	0.4
180.05020	0.7
181.03430	6.5
181.04955	9.8
182.03650	1.2
182.05211	0.5
183.01482	3.1
183.03337	0.8
183.05031	13.3
183.06445	1.7
183.07722	1.8
183.11214	0.5
184.04482	5.0
185.01260	0.9
185.02948	16.2
185.04669	1.2
185.06525	1.2
186.03065	2.2
186.99243	0.4
187.00867	5.3
187.02666	2.2
187.04417	6.1
188.04741	0.4
189.00755	0.6
189.02431	2.0
189.06046	1.1
191.00235	0.9
191.02058	0.9
191.03995	3.1
191.05637	0.6
193.02032	0.3
193.03467	6.6
194.03610	1.3
194.06558	0.4
195.01573	1.8
195.03432	0.9
195.05063	3.1
196.03467	0.6
196.04886	0.7
197.01257	0.4
197.02962	4.3
197.04745	0.7
197.06599	1.3
198.02995	0.4
199.02773	0.6
199.04477	4.1
200.02248	0.8
200.04555	0.5
201.00691	1.2
201.02420	9.6
201.04205	3.7
201.06067	5.5
201.09053	0.4
201.12526	1.6
201.16150	0.4
202.03993	0.5
202.05769	0.6
203.01927	1.5
203.03992	5.8
204.04234	0.4
205.01895	0.7
205.03659	0.8
206.06718	0.4
207.01399	0.4
207.04970	0.7
208.00378	0.4
208.04587	1.0
209.01167	1.6
209.02940	5.1
210.02917	0.5
211.02739	1.1
211.04488	13.6
212.04672	2.6
213.02498	2.5
213.04297	0.7
213.06139	1.7
214.02661	0.7
214.06015	0.4
215.02202	0.4
215.03941	1.6
219.01735	0.8
219.03485	5.2
219.05249	0.6
220.04507	0.4
221.02934	8.7
221.05040	4.0
222.03137	1.8
222.05310	0.9
223.04530	2.3
224.04048	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60352	1.4
53.03935	7.6
55.01867	9.6
55.05499	7.1
56.05037	3.7
56.96558	26.0
57.03424	15.9
58.99856	12.3
59.05004	2.2
61.02924	16.5
65.03922	6.1
67.05485	6.4
68.05025	1.9
69.03420	30.7
69.07045	2.4
69.75762	9.6
70.03741	2.0
70.06581	19.4
70.44727	1.5
70.98145	1.7
70.99857	6.0
71.00976	2.8
71.01344	40.5
71.04972	6.6
71.06912	3.4
71.40688	1.5
72.08142	11.3
73.01417	2.0
73.02907	20.1
73.08483	3.5
77.00901	20.3
79.05495	22.6
81.03407	17.5
81.07044	12.5
82.01426	5.2
82.03734	2.0
82.06569	2.8
83.04971	14.2
83.06116	3.6
84.04476	12.4
84.08129	6.7
84.96030	5.3
85.02895	28.4
86.03206	2.3
86.06053	5.7
86.09697	3.3
86.99316	2.2
87.04462	7.8
89.00890	4.5
91.02431	10.7
91.05466	9.0
93.03412	1.8
93.07030	3.9
94.04208	1.6
94.06569	2.3
95.01950	10.4
95.04952	13.0
96.04473	5.5
96.08103	1.5
97.02878	36.1
97.04818	4.6
97.06522	3.5
98.01231	2.0
98.03209	1.9
98.06017	2.4
98.97571	27.7
99.04440	5.0
100.02465	39.1
101.00861	22.0
101.02390	2.7
101.03465	2.4
102.00970	2.8
102.02234	5.9
103.02415	6.8
104.01341	1.6
105.00365	6.5
105.02191	3.6
106.02688	2.0
106.03703	1.8
107.01821	1.9
107.04937	13.8
108.02401	2.7
108.08105	3.4
109.02864	6.8
109.03511	9.6
109.06494	9.5
109.30033	1.6
110.01241	2.1
110.06046	2.7
110.97546	3.5
111.02946	1.8
111.04453	11.6
112.04772	2.9
113.00864	3.4
113.01625	2.6
113.02353	9.4
113.03409	2.4
114.02399	2.0
114.05576	2.1
115.02425	7.5
116.98611	21.1
117.02151	2.0
118.02699	3.8
118.03498	32.0
119.01897	100.0
119.04945	5.0
120.01978	10.3
120.03254	4.3
121.01629	6.2
121.03474	3.1
121.06424	2.6
122.02118	2.8
123.03145	2.5
123.04427	9.3
124.07557	3.0
125.06017	2.0
125.52967	1.7
126.09182	3.8
126.98734	9.2
127.03138	1.7
127.03899	7.9
128.02194	2.5
128.05635	2.8
128.98593	6.5
129.02917	3.9
129.03951	4.3
129.10199	1.8
131.01884	31.1
132.02017	1.7
132.05063	5.6
133.01648	4.1
133.03456	29.9
134.03667	4.2
134.99620	13.7
135.03189	5.3
135.04407	17.3
136.04619	5.7
136.07574	5.7
137.02928	29.2
137.05972	9.6
138.03107	3.8
138.09135	4.1
138.11124	3.9
139.02480	2.6
139.09479	6.8
140.52350	2.3
141.02898	3.5
141.04880	4.6
142.03529	11.7
143.01888	20.2
144.99806	79.2
145.03426	9.7
146.02203	1.7
146.99606	6.8
147.01360	9.1
147.03001	4.4
147.05002	7.5
149.01132	4.0
149.02921	14.2
149.04787	1.9
150.00352	3.3
150.03270	3.0
151.02748	1.8
151.04637	10.1
152.04236	4.1
152.07024	2.6
153.00768	1.8
153.04117	3.8
153.05466	7.3
154.03444	3.5
154.08620	10.0
155.01851	6.0
155.52916	2.1
156.05040	4.0
157.03403	8.5
158.01289	3.8
158.03510	1.9
158.99706	3.5
159.01376	8.5
159.04964	8.8
160.04625	6.4
161.01425	2.2
161.02936	45.8
162.03139	2.7
163.00859	15.3
163.02597	3.8
163.04015	12.5
164.07031	3.4
165.00856	1.8
165.03925	3.2
165.05359	2.2
167.04057	1.7
168.01405	64.6
168.99797	1.9
169.01614	2.1
169.03485	6.4
170.06560	2.1
171.01408	3.6
171.05067	6.1
172.02757	5.3
172.04590	2.8
173.02899	15.1
174.03101	2.3
174.99083	1.7
175.02617	2.7
175.04527	7.2
177.00771	11.8
177.02411	76.0
177.03914	3.0
177.05981	4.5
178.02496	4.0
181.03435	3.8
181.04958	6.6
182.03110	5.1
182.08150	6.9
182.11761	3.0
183.01399	2.2
183.05017	9.3
183.06467	2.5
183.08469	5.5
183.11258	4.1
184.04544	2.3
185.02942	7.6
186.02437	12.2
187.00903	6.4
187.02614	3.0
187.04445	2.4
189.00749	4.0
189.02348	2.7
191.02965	2.9
193.03519	3.2
195.01758	3.0
195.03506	27.8
195.05096	5.1
195.07121	3.5
199.04443	3.5
200.04024	52.4
200.05803	3.0
200.07394	1.8
200.09158	9.0
200.12744	7.5
200.19043	2.8
201.00829	2.8
201.02451	6.4
201.04079	2.2
201.06082	3.0
203.03978	4.9
209.02992	4.5
211.04390	10.9
213.02461	3.3
213.06055	2.4
218.05284	7.4
218.08783	2.2
219.01634	2.7
219.03516	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	199.0599
Annotation	(3E)-3-[(1R,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene]-2-oxopropanoate
Peak:m/z	Relative Intensity
53.03929	1.1
55.01857	0.8
55.05500	2.3
56.05019	0.6
57.03399	0.4
57.07056	0.8
59.06098	1.1
65.03918	1.1
66.04691	0.3
67.05479	1.5
68.05003	0.4
68.23030	0.3
69.03404	1.1
69.07061	2.5
69.84505	0.8
69.84919	1.4
70.07370	0.4
71.01333	0.4
72.04481	0.9
72.08129	0.5
74.09707	4.1
78.04697	0.6
79.05482	7.8
80.05025	0.3
80.06250	1.0
81.03403	1.6
81.07060	1.8
83.04966	3.2
83.08592	1.3
84.08933	0.4
85.06513	0.4
86.06059	0.3
87.05559	0.4
91.05447	0.9
93.03349	0.6
93.07013	1.3
94.04174	0.4
95.04970	3.8
95.06136	0.3
95.08592	0.8
96.04475	0.4
97.02859	1.9
97.06517	2.7
97.07645	0.5
97.10089	0.5
98.21465	0.4
98.97538	0.5
100.07602	1.3
101.07124	0.3
105.07000	0.6
107.04936	6.0
107.08574	0.8
108.04501	0.4
108.05738	2.6
109.02843	1.1
109.05263	0.5
109.06474	1.3
111.04433	4.5
112.03920	0.3
116.97219	2.0
116.98579	0.8
117.07025	0.6
119.04941	0.5
121.02854	3.6
121.10098	0.5
123.04391	1.6
125.02390	0.7
125.05986	3.7
126.03139	0.8
128.06209	0.6
131.99527	0.8
134.03622	0.9
135.04398	100.0
136.05243	3.6
136.07549	1.0
137.05972	1.3
139.02853	0.6
139.03885	8.4
139.07498	0.3
140.04640	1.4
141.06686	0.4
143.08519	1.1
152.04651	5.0
152.96901	0.7
153.05444	4.4
153.09029	0.5
155.07039	0.4
156.09285	0.7
157.10017	0.5
163.03902	1.8
164.04700	1.3
164.07014	0.9
171.11627	0.5
175.98508	1.6
181.04951	6.1
182.05656	0.5
182.08098	2.5
199.04089	0.6
199.05975	13.7
199.07635	1.0
199.11632	0.5
199.18863	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	199.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.8
56.05029	11.1
56.96555	9.4
57.04542	3.7
57.07051	1.2
57.61123	1.0
57.93558	1.6
58.06603	1.1
58.99862	1.2
59.06114	1.6
64.03368	0.9
66.03130	1.0
67.05498	1.3
67.51553	1.0
69.07056	2.1
70.17008	4.0
71.04981	1.9
71.08669	1.1
71.95246	1.1
72.04494	2.7
74.09324	1.2
74.09711	7.7
74.33253	1.1
81.03415	1.7
81.07030	1.2
83.05006	1.0
83.08616	2.1
91.00964	1.3
94.15234	1.0
98.97571	29.1
99.04428	2.5
99.05571	7.9
100.02471	5.5
100.07590	3.1
101.00864	5.0
103.00602	1.4
104.01894	1.0
111.04420	3.6
116.00211	2.0
116.01930	12.4
116.03633	1.0
116.97239	19.2
116.98598	34.6
118.03510	24.3
119.01907	41.0
120.02007	2.3
121.01630	5.3
128.00783	1.1
129.07166	1.2
130.03491	3.8
131.01869	2.0
131.99547	4.4
132.05057	3.2
133.03543	1.3
133.04552	2.2
134.02974	100.0
134.04761	4.4
134.95947	1.1
134.99643	32.3
135.03162	1.3
136.04538	27.0
137.02950	25.1
137.04597	1.8
138.03027	1.5
139.02658	2.6
139.03586	2.4
140.00241	1.3
141.05103	1.8
142.03473	6.0
148.04533	1.4
148.51376	1.6
148.96165	1.2
150.06094	3.8
152.04034	26.5
152.05898	3.1
152.96906	6.7
153.00687	7.6
153.20601	1.0
156.97406	1.3
157.03389	3.0
157.04573	28.9
157.97418	1.6
158.01225	2.2
158.02931	8.2
158.04816	2.1
159.06151	1.9
160.04541	9.2
161.03014	2.2
170.98022	1.3
171.04829	1.6
172.04503	5.6
173.07819	1.3
174.06133	1.7
174.98541	1.5
175.04106	4.5
175.05646	27.5
175.98505	10.7
176.02377	3.8
176.04048	31.0
176.05843	10.9
177.00917	6.7
177.04086	1.1
178.05638	2.8
180.06090	1.3
181.04634	2.1
189.06081	1.7
190.05705	2.0
191.08813	1.5
192.98720	2.0
193.05202	1.7
193.06743	9.9
194.03479	1.9
194.05093	15.1
194.06924	4.8
198.07249	2.3
199.04118	2.4
199.05643	15.8
199.07524	1.9
199.18889	28.9
200.03999	3.7
217.05125	3.2
217.06949	10.5
218.05045	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0759
Annotation	(S)-alapyridaine
Peak:m/z	Relative Intensity
55.01859	1.4
55.05273	0.5
55.05503	6.6
56.05016	0.7
56.96544	0.7
57.03402	0.5
57.07067	3.5
58.06580	0.8
64.37336	0.4
65.03914	0.5
67.05478	1.6
68.05018	0.9
68.99775	0.4
69.03426	0.8
69.06743	0.4
69.07058	4.9
70.02944	0.8
70.05373	0.8
70.05792	1.7
70.06545	1.2
70.34332	0.4
71.04974	0.6
71.08603	1.1
72.04485	1.2
72.08142	0.9
72.93781	0.5
75.45339	0.4
79.05475	1.9
80.04998	0.6
81.03390	0.9
81.07031	2.0
82.06548	1.2
82.40356	0.3
83.04955	0.7
83.08601	5.6
84.08088	0.5
85.02890	0.5
86.06030	1.7
86.09671	0.4
90.06993	0.4
91.05451	1.0
92.04964	0.4
93.07022	1.4
94.06554	0.5
95.04939	1.3
95.06023	0.5
95.08575	1.4
96.02097	0.8
96.04488	0.8
96.08099	1.3
97.06510	1.2
97.10169	2.3
98.20853	0.6
98.97562	0.8
100.07600	0.9
101.71305	0.4
102.83606	0.4
106.06535	0.7
107.04919	0.7
107.08567	1.1
108.04450	0.6
109.05215	0.7
110.03633	0.7
110.06034	0.9
110.09663	0.6
111.03150	4.3
111.04417	1.4
111.08035	0.9
112.03938	3.2
114.09109	0.8
116.97212	0.7
116.98574	0.7
120.04428	0.8
121.10120	0.8
124.03925	2.3
124.07558	1.3
125.04678	0.4
125.05965	1.6
126.05499	9.0
127.03809	0.3
134.05966	0.7
135.04411	0.6
137.04703	4.6
138.05533	0.8
138.06473	0.8
138.12761	0.4
139.03925	0.5
140.03497	0.5
140.06999	0.4
152.03394	2.8
152.07031	5.0
152.08179	0.7
154.04965	3.8
155.05742	13.2
164.06972	0.4
167.05751	1.5
168.06544	0.6
170.08095	44.0
171.08440	0.5
175.98532	0.7
180.06494	3.4
180.11032	0.6
181.80641	0.4
182.08076	0.6
198.07584	58.1
198.18497	100.0
199.07883	1.3
199.18887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01858	2.3
55.05504	6.9
56.96560	16.4
57.03428	6.1
57.07056	3.5
58.48866	0.9
58.99846	2.9
59.48176	0.9
60.08147	2.2
61.02921	5.7
67.05489	1.9
68.05018	1.6
69.03421	6.6
69.07059	6.8
69.41788	4.6
69.42212	4.6
70.98102	1.7
70.99827	1.7
71.01334	1.1
71.08627	1.3
71.95242	2.1
72.04527	1.2
72.08115	2.3
72.96017	1.0
73.02905	4.5
74.06062	1.4
77.00901	2.8
79.05467	3.1
80.05011	1.1
81.03407	3.7
81.07029	1.5
82.01419	3.8
82.06557	1.0
83.04974	1.8
83.08594	5.0
84.96027	1.0
85.01386	2.7
85.02887	9.5
86.06047	2.3
86.99313	1.0
89.00840	1.4
93.05746	2.2
93.07027	1.9
95.04930	1.5
95.06088	13.2
97.02875	6.9
97.06489	1.5
97.10148	3.2
98.97571	3.8
99.04462	1.3
100.02470	22.5
100.07654	1.0
101.00863	4.4
102.00959	2.5
102.02242	2.9
103.02441	13.2
104.38808	1.0
105.02061	1.4
106.06520	3.2
107.04935	1.9
107.08549	1.5
108.04429	1.2
109.02855	2.1
110.01285	1.3
110.06026	2.1
111.04414	2.3
113.00882	2.2
113.02395	1.2
113.03476	1.0
114.04021	1.3
114.09143	1.0
115.02397	2.4
116.98609	2.9
117.02892	1.2
118.03512	19.4
119.01903	18.0
119.02715	0.9
120.01985	14.0
120.03325	2.6
121.01647	4.3
121.03474	14.7
121.10099	1.0
122.02295	1.4
122.06001	1.9
123.04313	1.3
123.06801	1.0
124.07542	1.8
124.95480	2.0
125.09457	1.3
126.04004	2.5
127.03867	1.2
128.98569	1.5
131.01872	11.9
132.01968	1.2
132.05031	1.1
133.01671	1.4
133.03418	6.2
133.05121	1.1
134.05994	21.4
134.99660	1.8
136.07541	2.4
137.02942	3.9
138.03027	4.7
138.05449	1.7
139.02559	1.3
139.03935	1.2
141.05058	1.3
142.96489	5.4
143.01872	3.1
144.05032	3.5
144.99852	1.2
145.03421	2.6
146.99657	1.8
147.01367	8.0
147.04993	2.0
149.02901	4.8
149.04710	1.8
150.75334	1.0
151.01088	1.1
151.06264	1.3
152.01881	1.5
152.07048	23.1
152.08209	1.6
154.03510	4.7
154.13353	2.6
157.03407	3.3
160.97585	7.1
161.02913	7.8
162.05476	5.7
163.02644	1.3
165.00664	1.0
165.02457	1.4
170.02956	20.8
171.05096	1.2
172.04541	1.4
173.02905	5.4
174.05905	1.0
174.99062	3.4
175.00873	4.1
175.02708	3.1
175.04524	4.3
175.98558	1.1
180.06535	28.9
185.02904	2.5
188.01152	1.4
189.00725	1.4
191.04042	1.9
193.00153	5.9
193.01939	2.3
193.03604	1.1
198.00603	1.5
198.02480	1.7
198.06050	2.0
198.07590	36.6
198.18507	100.0
199.04417	1.4
203.04015	2.1
206.59729	1.0
216.01764	1.3
216.07159	1.2
219.01627	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1534
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03928	2.2
55.01853	3.3
55.05502	28.4
57.03422	5.4
57.07064	2.7
59.05028	1.1
61.25838	1.1
65.03925	1.0
67.05495	34.3
69.03414	1.8
69.07059	23.7
70.27380	0.8
70.95864	2.2
71.04995	14.3
73.06545	0.9
74.08389	0.9
79.05485	21.6
81.07046	74.6
82.07396	0.9
83.04967	4.7
83.08607	21.1
85.02911	1.2
85.06532	15.1
87.04446	2.3
91.05463	23.2
93.07027	22.9
93.07587	1.7
93.35432	0.9
95.04939	4.1
95.08593	100.0
96.08951	1.5
97.06519	31.9
97.10161	8.2
97.32993	0.8
97.33680	0.9
99.08068	6.0
101.05998	1.4
105.07018	25.9
107.08577	17.8
109.06525	4.3
109.10136	8.1
111.08044	7.1
111.98475	1.1
113.08219	1.9
115.07576	1.1
117.07001	1.9
119.08564	35.8
121.10134	9.4
123.08031	7.5
123.11686	1.0
125.09592	1.4
127.07547	1.5
132.95851	1.2
133.10114	29.0
135.11678	22.3
137.05943	1.3
137.09592	3.3
137.13234	21.6
141.09052	1.6
150.96867	3.6
151.03894	1.5
151.11194	1.3
155.08537	3.0
161.09680	2.2
161.13240	60.8
162.13589	1.8
167.08606	2.3
169.10144	2.3
173.98511	2.7
179.10675	5.8
179.14287	26.0
182.10892	2.3
197.07983	2.1
197.09613	2.7
197.11708	3.8
197.13266	6.0
197.15367	10.5
198.18510	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1534
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
51.02373	0.9
53.03931	1.3
55.01862	4.8
55.05500	27.0
57.03419	3.1
57.07069	5.4
59.04961	0.9
59.33439	0.8
62.12833	0.6
65.03935	2.2
67.05494	39.9
68.99780	0.7
69.03409	3.1
69.07054	26.9
70.23107	1.3
70.23515	2.3
70.95843	3.9
71.01340	4.5
71.04982	17.2
71.08616	2.1
72.93790	1.5
73.02881	1.9
73.06530	1.1
79.05476	23.3
81.03391	1.3
81.07041	85.0
82.07353	1.2
83.04967	7.0
83.08604	22.3
85.02876	1.1
85.06527	22.2
85.10169	0.9
87.04450	1.4
88.96880	0.9
91.05466	25.3
93.06435	1.4
93.07025	27.0
95.04955	7.0
95.08588	100.0
97.06510	37.5
97.10146	7.8
98.21347	1.1
99.04465	2.1
99.08099	5.7
101.05996	1.9
105.03366	3.2
105.07014	28.9
107.04887	1.0
107.08577	23.7
108.09024	0.7
109.06497	7.2
109.10140	12.1
111.04462	1.3
111.08072	7.5
111.98447	3.0
113.08213	1.5
113.09631	2.2
115.07533	1.4
117.07017	1.4
119.04905	0.9
119.08559	35.4
121.06490	1.3
121.10121	10.0
123.04449	1.6
123.08048	7.3
123.11709	2.2
125.05961	1.9
125.09621	2.1
127.07532	1.4
129.99512	1.8
131.45183	0.7
132.95854	3.6
133.10103	33.0
134.10446	1.3
135.08011	0.9
135.10629	1.1
135.11661	21.3
136.12111	1.0
137.05972	3.8
137.08179	1.3
137.09601	4.6
137.13222	15.4
141.05435	1.3
141.07007	3.1
143.08502	0.9
149.13196	1.2
150.96867	10.3
151.03886	10.0
151.07498	1.2
151.11162	2.8
153.06953	1.7
154.07724	2.0
155.08444	5.2
155.10635	2.9
155.97409	3.3
156.09346	1.1
159.11652	0.7
161.09610	3.6
161.13232	51.6
162.13556	1.6
167.08580	2.3
168.09297	1.4
168.97934	0.9
169.06442	1.4
169.10080	5.4
173.98486	6.6
179.07111	1.5
179.08525	1.1
179.09053	1.2
179.10652	11.4
179.14270	23.5
181.04962	1.4
181.06494	0.8
182.05690	2.3
182.07268	1.2
182.10910	4.9
197.06094	1.7
197.08083	5.4
197.09674	3.7
197.11693	9.9
197.13298	8.5
197.15372	13.6
197.17046	1.5
198.18497	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	197.1534
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03944	2.2
54.62369	1.1
55.01857	4.8
55.05505	30.5
56.18468	1.0
57.03426	3.7
57.07059	5.8
58.65562	1.2
65.03947	1.5
67.05492	39.3
69.07056	29.0
70.36832	1.3
70.95840	2.4
71.04975	13.5
71.31741	2.5
73.06538	1.2
74.43335	1.2
79.05479	18.5
81.07040	82.8
82.07366	1.5
83.04974	6.3
83.08604	21.0
85.06527	17.5
87.04421	1.3
91.05466	24.3
93.07029	29.3
94.88824	1.1
95.04955	3.3
95.08589	100.0
97.06515	31.1
97.10149	8.1
99.08082	7.8
101.05997	1.5
105.07014	26.8
107.08575	16.7
109.06489	5.2
109.10143	10.7
111.08038	6.8
111.98441	2.9
117.06990	1.3
119.08563	39.1
119.09409	2.4
121.10150	13.1
123.08045	9.1
123.11670	1.3
132.95808	3.3
133.10107	32.8
135.11682	25.4
137.09578	4.3
137.13228	27.4
141.09135	1.6
149.13191	1.6
150.96878	5.4
151.03880	1.5
151.11201	2.1
151.14703	1.4
155.97417	1.5
161.09666	2.2
161.13239	68.7
167.08545	1.2
169.10098	2.1
173.98489	5.1
174.20712	1.3
179.09239	1.3
179.10602	5.7
179.14270	34.3
182.10852	2.7
196.53488	1.1
197.06010	1.2
197.09680	1.1
197.11668	3.3
197.13287	4.3
197.15363	11.4
198.18494	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	197.1169
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03916	1.2
55.05501	4.6
57.07060	1.4
59.04982	2.9
67.05495	5.8
69.03393	1.4
69.07037	1.4
70.94926	3.0
78.30694	0.8
79.05482	5.6
81.07043	8.1
83.04972	1.3
91.05457	18.7
93.07027	27.7
95.04945	9.4
95.08579	3.3
95.68201	1.0
103.40002	0.9
105.07013	31.7
107.04982	1.1
107.08573	74.0
108.08884	1.9
109.06498	6.7
109.10138	6.8
111.08067	1.3
117.07001	0.9
119.04904	3.0
119.05987	0.8
119.08563	9.0
121.06474	7.4
121.10148	1.0
123.04414	3.3
123.08070	1.4
123.11655	3.7
126.85740	1.0
131.08525	3.0
132.95810	1.6
133.10101	71.9
134.10463	1.6
135.08006	1.7
135.11670	52.0
136.11984	1.3
137.00365	0.9
137.05956	4.7
137.09558	5.4
139.07504	1.0
143.08527	1.3
146.07225	1.0
150.96878	2.0
151.03819	1.3
151.11131	6.4
161.09592	34.4
173.98473	1.2
179.10638	100.0
180.10934	2.7
197.11690	56.1
198.12030	1.5
198.18509	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.117
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
50.48343	0.5
55.01858	0.6
55.05494	2.7
57.07056	1.5
59.04986	1.6
65.03914	0.6
67.05484	3.5
69.03421	1.2
69.07046	1.5
70.82890	1.1
70.83259	1.1
70.95860	1.0
71.04978	0.9
77.55075	0.5
79.05473	5.0
81.03420	0.6
81.07040	5.2
83.04963	1.4
83.08617	0.7
85.06554	1.0
91.05465	12.5
93.07032	10.3
95.04947	2.9
95.08601	4.5
95.60072	0.5
97.06520	1.1
97.10103	0.6
97.81902	0.4
105.07012	20.9
107.04913	0.8
107.08574	100.0
108.08926	2.2
108.65555	0.5
109.06509	4.8
109.10120	5.5
111.08044	0.6
111.98449	1.0
115.05399	0.5
118.07741	0.6
119.04918	1.6
119.08563	6.0
119.93594	0.5
121.06500	3.4
121.10152	2.9
123.04435	0.9
123.08035	1.3
123.11667	2.3
125.05991	0.6
125.09573	0.8
131.08553	2.3
132.95822	1.6
133.10106	55.3
134.10480	1.1
135.11661	12.1
135.12646	1.0
137.05984	3.1
137.09604	3.7
139.07516	1.7
143.08521	1.2
144.04063	0.6
146.07195	1.5
149.09599	1.7
150.96860	3.7
151.03845	1.3
151.07498	0.8
151.11145	5.6
155.08476	0.8
155.97369	0.7
161.09586	17.5
162.09883	0.7
167.08493	0.8
167.10631	3.6
169.10088	0.7
173.98447	2.7
175.92096	0.5
179.07173	0.8
179.10640	26.6
179.14130	0.8
180.10944	0.9
182.10817	1.0
197.11694	46.5
197.13095	2.0
197.49132	0.5
198.11972	1.0
198.18484	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	197.117
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03944	1.3
55.01867	1.0
55.05499	4.0
57.07077	2.0
59.04988	2.9
65.03944	1.6
67.05499	6.9
69.03428	1.8
69.07072	2.2
71.04990	1.2
71.18998	0.9
71.19347	1.5
72.93805	1.0
79.05489	7.4
81.03413	0.8
81.07043	8.1
83.04984	1.2
83.08612	1.4
85.06540	1.2
91.05468	19.3
93.07033	23.2
95.04961	9.0
95.08601	5.3
97.10203	0.8
99.04444	0.7
105.03325	0.8
105.07016	33.1
106.07347	0.7
107.04973	1.2
107.08579	71.4
108.08938	0.9
109.06487	7.0
109.10157	7.1
111.08054	0.8
111.98472	1.2
113.08213	0.8
115.05452	1.0
117.07040	1.1
118.07704	0.8
119.04913	3.1
119.06075	1.4
119.08570	8.9
121.06493	6.5
121.10133	1.4
123.04433	2.3
123.08056	1.1
123.11697	3.9
125.05968	0.8
128.06226	0.7
131.08557	2.8
132.95824	1.1
133.10109	73.6
134.10492	1.9
135.08076	2.5
135.11674	56.0
136.12025	1.2
137.05959	3.8
137.09583	5.0
139.07486	0.7
139.11266	0.7
141.06995	0.7
143.08534	1.1
146.07260	1.7
150.96886	2.5
151.03897	1.4
151.07472	1.0
151.11185	5.3
155.97365	1.0
161.09599	35.7
162.09860	0.8
164.26767	0.6
167.08623	1.3
169.10274	0.7
170.15475	1.3
171.18430	0.6
173.98476	1.4
179.10651	100.0
180.11009	1.9
182.10910	1.2
197.11703	67.4
198.12036	1.4
198.18509	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	197.117
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03934	0.7
55.01859	1.5
55.05494	3.6
57.03430	1.4
57.07061	1.6
59.04993	1.3
59.06098	0.5
65.03925	1.2
67.05492	4.8
68.73538	0.4
69.03407	1.1
69.07064	2.6
70.06585	0.7
70.95859	4.4
71.04997	1.7
71.05355	0.7
71.05652	0.5
71.06084	0.6
72.93777	2.7
73.02885	0.9
76.27587	0.5
79.05479	4.0
81.03394	0.6
81.07041	4.9
82.25911	0.5
83.04955	1.3
83.08607	1.6
84.04481	0.5
85.02898	0.5
85.06525	0.4
86.06020	0.7
88.96883	0.8
90.94807	1.0
91.05466	15.4
93.07028	10.3
94.06569	0.5
95.04939	4.1
95.06101	0.6
95.08591	4.6
96.05582	0.7
97.02896	0.9
97.06515	1.5
97.10144	1.0
99.04441	2.5
105.03394	0.7
105.07008	21.1
105.07719	1.0
107.08575	100.0
108.08915	1.8
109.06496	5.5
109.07639	0.5
109.10142	8.9
110.07090	0.5
111.04461	0.5
111.98474	3.4
113.08231	4.5
114.10275	0.4
115.05424	0.6
117.06969	0.8
118.07773	0.7
119.04917	1.3
119.06031	1.0
119.08569	6.0
121.06498	3.7
121.10100	1.4
123.04398	1.2
123.08057	2.0
123.11692	2.0
125.05933	0.9
125.09650	0.8
129.99522	2.4
131.08522	2.1
132.95810	4.9
133.02907	0.4
133.06482	1.3
133.10104	58.7
134.10484	1.0
135.08015	0.9
135.11671	15.9
137.05946	3.6
137.08208	1.2
137.09599	4.8
138.06522	0.9
139.07541	2.7
141.05431	1.4
141.07008	0.6
143.08525	0.6
146.07251	2.1
147.71289	0.4
150.96870	13.2
151.03891	5.5
151.07527	1.4
151.11157	3.9
152.11766	0.4
155.06995	0.8
155.09398	2.4
155.97372	3.6
161.06065	0.5
161.09587	16.5
161.13237	0.6
165.05507	0.8
168.97879	0.5
169.10104	0.8
173.98463	8.2
179.07191	2.2
179.09317	1.3
179.10641	25.3
180.11110	0.6
197.00067	0.6
197.04425	0.6
197.07986	1.8
197.11700	41.5
197.13100	1.9
198.12018	0.8
198.18495	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	197.0807
Annotation	1135-23-5
Peak:m/z	Relative Intensity
53.03933	3.6
55.01865	29.5
55.05489	4.1
55.93499	0.9
56.05018	2.0
56.96563	6.7
57.03418	2.7
57.07062	2.4
59.06113	1.6
65.03925	2.5
67.05500	12.5
68.05006	1.6
69.03410	3.0
69.04549	0.9
69.07065	4.5
70.06574	1.9
70.95855	12.3
71.01315	1.4
71.04984	1.9
71.06081	1.2
71.14388	1.8
72.08145	1.5
72.93777	6.9
73.02892	3.1
77.03889	1.9
77.91615	1.0
79.05481	71.9
81.03392	5.7
81.04533	1.2
81.07038	13.8
82.07401	1.1
83.04977	2.3
83.06092	1.8
83.08598	1.1
84.04493	5.7
84.08138	1.2
85.02884	2.4
85.06509	1.1
86.06077	1.1
86.09698	2.6
88.96896	3.9
90.30324	0.9
90.94813	2.8
91.05462	22.4
93.07030	22.5
95.04955	14.1
95.06065	2.9
95.08590	16.7
96.04486	1.5
96.05589	2.1
97.02853	2.6
97.06512	20.3
98.07212	1.0
98.97567	4.2
99.04432	1.3
99.05531	1.9
103.05453	12.1
105.03384	1.6
105.04510	1.7
105.07015	84.7
106.07358	2.0
107.04939	100.0
107.08578	22.0
108.05239	1.2
109.02880	1.5
109.06499	16.4
109.10112	2.4
111.04419	2.5
111.98464	11.0
113.08242	10.4
113.96364	1.7
114.06635	1.4
115.05444	5.0
116.98613	2.6
117.07037	6.8
119.01853	1.3
119.04936	2.8
119.08591	2.3
121.06487	19.5
121.10143	1.1
123.04440	4.7
123.08054	16.4
124.05177	1.1
125.05978	2.2
126.05512	1.3
127.03875	1.7
129.99512	5.8
131.04886	4.5
131.97420	1.2
132.95822	14.1
133.02866	2.8
133.06470	54.3
133.07491	2.6
133.10103	9.0
134.06943	1.3
134.99651	2.0
135.04402	1.5
135.08029	7.4
135.11670	7.1
137.05963	11.9
137.08191	3.1
137.09604	1.2
138.06590	1.6
139.03914	2.3
139.07538	5.0
141.07007	1.2
147.04424	1.4
148.02797	1.2
149.05940	11.4
150.96866	40.5
151.03900	7.1
151.07515	35.9
151.08720	1.3
151.11086	2.2
152.07027	4.5
152.08112	1.3
153.00995	1.0
155.05861	1.7
155.09238	5.8
155.97394	13.1
161.05959	13.2
161.09599	3.4
167.03465	0.9
168.97949	1.5
169.08536	1.3
169.09874	1.0
170.08084	4.4
173.98474	24.9
174.00786	3.2
179.03413	1.4
179.05632	0.9
179.07010	26.3
179.09224	2.6
179.10580	10.5
180.07654	1.4
192.01761	1.5
196.91850	1.1
196.99989	2.4
197.04314	2.2
197.08049	10.3
197.10153	3.4
197.11710	7.2
198.07539	5.2
198.11259	1.2
198.18506	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0806
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
51.02356	0.3
52.03186	0.3
53.03928	0.5
55.01865	3.0
55.05491	0.8
55.10607	0.3
57.07065	0.3
65.03934	2.0
67.05493	2.4
68.99764	0.3
69.07044	0.5
69.76299	2.0
70.95861	1.9
71.01331	0.4
71.04984	0.3
71.06091	0.4
72.93768	1.1
73.02908	19.9
77.03934	0.4
79.05467	1.1
81.03396	0.6
81.07037	1.7
84.04517	0.3
84.56372	0.3
85.02874	0.6
85.06516	0.6
88.96858	0.5
91.03953	0.4
91.05467	4.2
93.03372	0.7
93.07012	1.0
93.63013	0.3
95.01290	0.4
95.04957	2.5
95.06066	0.6
95.08601	1.0
96.05583	0.4
97.02870	0.6
97.06515	0.8
105.03343	0.6
105.07020	1.9
107.04938	0.3
107.08584	2.2
108.02090	2.5
109.02862	0.9
109.06512	2.0
109.10126	1.0
110.03632	2.8
111.04434	3.0
111.98452	1.3
113.08243	3.9
114.06600	0.3
119.04928	2.0
119.08585	0.4
121.06482	0.3
121.10170	0.6
123.04401	0.6
123.08028	1.2
123.76682	0.3
125.05970	13.5
127.03898	0.4
129.99475	1.0
132.95789	2.2
133.02823	0.8
133.06473	0.8
133.10120	1.9
135.08047	0.3
135.11681	1.0
136.01630	0.4
137.05974	3.0
137.08214	1.4
137.09502	0.6
138.06615	0.3
141.05449	4.9
141.06532	0.5
141.06967	0.4
145.44815	0.3
149.05971	3.1
150.96880	6.5
151.03886	100.0
151.04956	7.2
151.07431	5.1
151.11171	0.6
152.04204	2.2
153.05594	0.3
155.09381	1.6
155.97379	1.8
161.05980	0.3
161.09592	0.9
165.05498	0.8
173.98456	3.3
179.05392	1.4
179.06998	18.9
179.09053	0.7
179.10429	2.3
187.77306	0.3
197.06172	0.7
197.08032	5.6
197.09903	0.7
197.11655	1.7
197.13231	0.5
197.17157	0.3
198.18501	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.1
56.05019	4.9
56.96568	3.1
57.07053	1.6
57.76638	0.5
58.41316	0.6
58.99857	0.9
59.06110	0.7
63.33908	0.6
67.05502	0.8
68.05019	1.0
69.03411	1.4
69.04546	0.6
69.07041	1.2
70.06573	1.4
70.75987	1.3
70.95866	3.1
71.04982	0.8
71.06111	0.9
72.93781	1.2
77.00894	1.4
81.07036	1.0
82.99847	0.6
84.04417	0.6
88.96890	1.1
91.05444	1.0
93.07014	1.1
95.01948	0.6
95.06059	1.6
96.05588	0.6
97.02892	1.2
97.06484	1.0
97.07644	0.8
98.97563	2.2
100.02460	1.2
101.00871	4.5
102.02198	0.9
103.02443	0.6
105.06978	1.1
107.08578	2.3
110.07220	0.8
111.98454	2.0
113.08224	7.3
114.04018	2.5
116.98600	2.8
118.03490	2.6
119.01906	35.3
120.01996	1.7
120.05483	0.6
121.01614	1.0
121.03520	1.0
122.41567	0.6
129.86824	0.6
129.99478	1.7
130.01657	0.6
130.03430	1.1
131.01884	1.2
131.54192	0.6
132.05049	32.2
132.95804	3.1
133.03455	1.7
133.05170	0.8
133.10103	2.4
134.02975	1.8
134.99663	3.2
135.11707	2.7
136.04509	1.8
137.02943	19.5
137.05942	0.8
137.08180	3.4
138.03062	1.1
142.03453	2.6
145.03430	3.9
147.03769	8.6
147.04927	1.2
148.02763	0.7
148.04501	1.1
150.06099	27.3
150.96861	10.7
151.04510	0.8
153.00679	0.9
155.03078	1.7
155.06679	1.5
155.09282	4.5
155.97438	4.0
156.05022	6.6
157.03419	0.6
158.03055	0.7
159.06158	0.7
160.04535	1.8
161.09641	1.1
163.04485	1.6
165.04770	4.5
172.04445	1.1
173.01381	0.9
173.02829	5.0
173.04192	4.9
173.07718	1.3
173.98470	6.1
174.03053	3.2
174.06104	100.0
174.98625	1.0
175.02791	0.9
175.04498	0.8
175.06303	3.6
176.04042	2.0
177.00955	2.1
179.09238	2.4
179.10701	2.7
187.04466	1.7
191.03900	1.8
191.05177	2.1
192.05495	1.4
192.07137	31.6
197.00482	0.8
197.04288	3.3
197.05917	1.1
197.07733	8.1
197.10187	1.5
197.11786	2.3
198.18492	6.6
215.01695	1.2
215.05106	2.0
215.06960	0.6
215.08997	0.7
216.05382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.174
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
51.02382	1.6
53.03933	4.3
55.01864	17.8
55.05500	35.1
55.32232	1.6
56.57286	1.7
57.03421	4.8
57.07059	10.2
58.10844	1.5
59.04984	2.1
61.88589	1.5
63.02378	2.1
65.03918	6.3
65.39159	1.4
66.28517	1.3
67.05492	23.2
67.38627	1.4
68.02869	1.4
68.99780	3.6
69.03417	19.9
69.07058	74.6
71.01363	1.7
71.04980	13.2
71.70144	1.6
71.95194	1.5
73.02900	17.1
79.05479	34.1
81.03402	2.4
81.07039	67.8
82.07395	2.2
83.04954	11.6
83.08607	21.9
84.08103	2.3
85.02884	1.6
85.06529	12.5
87.89867	1.5
89.03898	11.4
91.05469	23.5
93.07030	61.4
94.07347	1.5
95.01315	1.5
95.04958	13.3
95.08586	85.7
96.04526	1.6
97.06518	9.9
97.10152	12.3
99.04429	2.2
99.07435	3.7
99.08076	69.6
103.05446	8.9
103.80405	1.4
105.07011	18.7
106.04171	1.9
107.04937	64.4
107.08575	72.6
109.02850	2.2
109.06508	9.1
109.10139	25.3
111.04437	5.1
111.08062	35.1
111.11710	6.5
113.09633	8.2
115.05434	6.1
117.03360	22.4
117.07011	5.9
119.04920	4.3
119.08548	5.5
120.05692	2.4
121.02865	3.2
121.06493	12.3
121.10122	97.7
123.04414	4.3
123.08041	4.5
123.11657	10.4
125.05939	4.2
125.09607	45.7
131.04938	2.1
131.08559	6.7
133.02780	2.0
133.06491	2.2
133.10107	5.9
134.03635	2.2
135.04434	7.8
135.08051	21.6
135.10645	2.5
135.11662	37.3
136.08800	2.9
137.06007	2.5
137.09612	4.4
137.13223	26.7
139.03885	3.3
139.11136	5.3
145.02817	38.2
146.03143	2.2
147.04401	6.6
149.02316	100.0
149.05946	22.5
149.09605	6.5
149.13260	11.4
150.02634	3.4
151.07498	3.2
151.11176	1.9
153.05467	3.7
153.09081	2.9
153.12746	2.1
154.06184	2.8
159.11697	7.4
162.03133	1.7
163.03874	6.1
163.07510	19.9
165.05489	1.9
165.06964	2.8
167.07019	13.8
167.08516	4.0
177.05443	66.1
177.09093	6.5
177.12840	10.8
177.16362	96.9
178.05714	2.2
178.16650	2.6
180.07823	3.6
180.09285	3.7
195.02933	4.6
195.06465	12.2
195.08086	4.9
195.10115	19.8
195.11816	5.2
195.13762	9.4
195.15804	2.7
195.17412	27.2
196.16867	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1741
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03936	2.3
53.52982	1.2
54.97044	1.2
55.01869	9.4
55.05503	29.0
57.03429	2.1
57.07064	7.5
59.04993	2.2
65.03957	1.2
67.05502	18.6
68.36919	1.3
69.03415	15.0
69.07059	61.5
69.57124	1.4
71.04989	8.9
71.15031	3.6
78.04693	1.7
79.05489	22.1
81.03408	2.7
81.07045	59.3
83.04977	4.0
83.08607	18.0
85.06538	11.4
89.03912	30.2
91.05457	10.0
93.07031	37.0
95.04948	5.9
95.08595	68.1
97.06480	6.5
97.10148	14.0
99.04522	1.7
99.07426	3.1
99.08079	59.6
103.05453	3.4
105.06997	9.6
107.04938	14.2
107.07831	2.7
107.08573	55.6
109.06516	3.7
109.10148	17.4
111.04459	1.6
111.08060	21.3
111.11690	5.4
113.09648	6.7
117.03358	50.0
119.08551	1.7
121.06509	3.6
121.10123	76.1
122.10460	1.5
123.04453	1.6
123.08031	2.2
123.11703	8.6
125.06034	2.2
125.09615	36.1
133.10112	1.6
134.03609	7.4
135.04352	9.1
135.08054	4.2
135.11670	26.0
137.05914	2.1
137.09605	1.5
137.13223	27.1
139.11154	5.8
145.02824	90.6
146.03192	2.4
148.73103	1.4
149.05960	26.0
149.09605	2.2
149.13249	7.5
151.11119	1.9
151.14775	1.4
153.05450	4.3
159.11707	3.6
162.03108	2.2
163.03891	12.8
163.07501	3.1
165.06955	2.1
167.07045	3.0
167.08534	1.9
175.39774	1.3
177.05443	100.0
177.12738	5.6
177.16357	86.4
178.05740	3.8
178.16800	1.6
180.09338	2.5
186.05437	3.4
195.06505	3.8
195.08231	1.4
195.10168	4.9
195.11755	3.0
195.13803	4.0
195.17424	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03931	4.6
55.01863	7.6
55.05506	18.1
57.03419	5.7
57.07053	2.5
60.52185	1.1
65.03923	4.0
66.19333	1.1
67.05495	42.3
69.03415	5.1
69.07060	19.2
71.04981	11.1
71.08628	1.6
71.70461	2.5
71.70840	1.8
72.93780	1.9
73.02912	2.2
75.87642	1.2
77.03897	1.4
77.18362	1.2
78.04694	1.5
79.05479	48.5
81.03416	7.5
81.07043	100.0
83.01339	1.3
83.04963	14.9
83.08617	9.2
84.08161	1.7
85.02866	2.1
85.06538	9.1
89.03910	11.6
89.06026	2.0
91.05463	36.6
93.03399	1.9
93.07029	82.7
95.04958	13.4
95.08591	45.6
97.06509	25.9
97.10145	2.3
99.04443	2.0
99.08073	2.6
101.05958	2.0
103.05444	5.4
105.07011	17.3
106.04179	1.3
106.07343	1.4
107.04949	16.7
107.07796	2.0
107.08577	39.0
109.02861	1.4
109.06500	7.9
109.10121	6.3
111.04421	5.4
111.08052	8.3
112.96512	1.3
113.96404	1.7
115.05464	1.4
117.03353	21.7
117.07026	11.0
117.70644	1.2
119.08574	8.8
121.02859	1.6
121.06509	11.7
121.09251	2.8
121.10125	49.2
123.08054	6.1
123.11694	2.9
125.05990	5.2
125.09616	3.2
131.04877	2.6
131.08562	12.8
133.02823	2.5
133.06421	1.3
133.10106	20.6
134.03629	3.9
135.04428	8.8
135.08043	9.1
135.11674	40.7
136.12019	1.5
137.05930	3.5
137.09608	3.8
138.06473	1.2
139.03918	2.4
139.07544	3.0
139.11171	3.9
145.02827	38.9
145.03940	2.7
147.04414	1.4
148.97345	2.3
149.02310	5.5
149.05939	13.0
149.09578	8.3
149.13232	25.0
151.07524	6.0
151.11165	3.7
152.06183	1.4
152.52423	1.2
153.05453	2.2
153.09081	3.0
153.97897	1.7
159.11667	20.5
163.03859	10.3
163.07513	1.8
165.06996	5.3
167.07018	3.3
167.08444	2.1
171.98949	1.4
177.05444	47.3
177.09077	4.6
177.12720	23.7
178.05838	1.7
178.13228	1.2
180.09337	4.3
186.05528	1.8
195.01143	1.4
195.02917	5.3
195.06616	7.9
195.08295	4.6
195.10127	4.3
195.11760	8.6
195.13809	26.9
195.15594	3.1
195.17476	1.4
196.09666	1.6
196.16974	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1376
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
50.50747	0.8
51.78903	0.9
53.03935	5.9
55.01865	4.7
55.05499	81.3
56.05030	1.1
56.96551	1.2
57.03408	2.5
57.07069	1.5
59.04999	1.2
61.00705	0.8
65.03916	2.9
67.05492	16.8
69.03412	6.6
69.07052	66.5
70.06583	1.7
70.97746	2.1
71.01338	1.0
71.04976	3.7
79.05472	15.5
79.08532	0.8
81.03407	3.9
81.07042	13.3
82.06565	1.0
83.04961	100.0
83.08591	2.7
85.06510	3.4
85.06963	0.8
89.03895	11.9
89.06034	1.1
91.05457	16.2
93.03378	1.3
93.06432	1.1
93.07026	22.4
95.04954	10.3
95.06039	1.2
95.08580	17.3
97.02909	1.6
97.06509	11.2
97.07555	0.8
98.97556	2.6
99.08086	1.7
103.05458	7.0
103.83450	0.9
105.07011	10.6
106.04136	1.0
107.04929	44.1
107.08566	16.5
108.04511	1.2
109.02808	1.1
109.06490	5.3
109.10131	18.4
111.04430	3.2
111.08052	14.2
115.05450	3.1
116.98559	2.1
117.03347	19.5
117.06991	2.9
119.04922	2.1
119.08563	5.1
120.05656	1.1
121.02834	1.4
121.06468	13.1
121.10120	6.8
123.04455	1.3
123.08044	2.6
123.11671	1.8
124.05164	1.3
125.05988	3.0
125.09615	2.9
129.06978	1.2
129.34180	0.8
131.04912	2.5
131.08551	3.3
132.04425	1.8
133.02795	0.8
133.10118	3.4
134.03587	4.2
134.99649	1.5
135.04407	6.1
135.08028	14.2
135.11656	7.4
136.07477	0.9
137.05977	2.6
137.09587	39.9
137.10638	2.1
137.13231	3.7
138.06592	1.4
139.03917	1.9
139.07536	2.4
139.11153	1.0
145.02809	34.3
145.03932	1.7
145.07608	0.8
147.04391	1.5
149.05940	16.0
149.09534	4.8
149.13275	2.2
151.03880	1.2
151.07515	1.4
151.11166	1.5
153.01746	1.4
153.05429	3.3
153.09117	1.1
153.12708	43.7
153.97783	1.0
154.06218	2.5
154.13040	1.0
158.99608	1.3
159.11624	4.3
162.03171	1.5
163.03862	6.4
163.07545	11.9
165.05515	1.5
165.06978	2.9
167.07039	16.1
167.08493	2.8
168.07582	0.8
176.93195	0.8
177.05428	43.0
177.08945	3.9
177.12665	5.9
177.16389	2.0
178.04779	4.2
180.07776	3.1
180.09288	1.4
186.05525	1.7
186.07053	1.0
195.02873	8.2
195.06511	4.0
195.08144	2.9
195.10095	14.7
195.11765	2.4
195.13792	9.4
195.15535	1.1
196.16920	0.8
196.19040	0.9
201.93382	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1013
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
50.01620	0.6
51.02382	0.5
53.00295	0.9
53.03934	1.9
53.93806	0.4
55.01859	3.2
55.05504	4.9
56.96537	1.5
57.03424	2.1
57.07063	0.9
62.06071	0.5
65.03917	1.7
67.05497	6.0
68.05014	0.7
69.03411	3.6
69.07056	5.0
69.08489	0.5
70.06586	1.4
71.01348	0.8
71.04978	2.4
71.70399	0.7
72.08134	0.6
73.02915	0.7
74.58335	0.4
77.03919	1.1
78.04691	1.4
79.05479	20.2
80.05785	0.5
81.03390	3.0
81.06595	0.8
81.07042	8.9
83.04964	5.4
83.08604	1.1
84.08115	1.3
85.02886	1.3
85.06514	1.8
89.03899	6.7
89.06019	1.3
91.05462	15.9
93.07026	12.2
94.04150	0.5
95.04957	10.2
95.08584	6.1
97.02866	2.0
97.06500	3.3
97.07701	0.6
97.10115	0.5
98.97567	4.2
99.04459	0.7
99.05530	0.8
99.08100	0.5
103.05448	12.5
105.03390	1.0
105.04486	0.7
105.07008	16.8
106.04166	1.0
106.07387	0.7
107.04933	100.0
107.08569	11.7
108.05266	1.5
109.02854	1.1
109.06487	3.7
109.10136	3.0
110.07190	1.1
110.32817	0.5
111.04385	2.5
111.08066	2.6
113.05972	0.5
115.05441	8.1
116.06187	0.6
116.98618	2.4
117.02557	0.9
117.03357	13.0
117.06998	4.9
119.04923	2.3
119.08552	4.1
120.05714	3.2
120.08886	1.3
121.02833	1.0
121.06472	8.1
121.09328	0.8
121.10123	5.1
123.04402	2.5
123.08029	1.9
123.11697	0.7
124.05171	2.5
125.05999	3.2
125.06770	0.4
125.09621	0.7
130.96321	0.5
131.04890	1.4
131.08546	4.3
132.04401	1.1
133.02817	0.8
133.06482	1.3
133.10097	3.0
134.03583	2.2
134.10428	1.7
134.99615	1.3
135.04404	4.6
135.08028	27.9
135.10765	1.6
135.11671	5.4
136.08566	0.5
137.05991	2.5
137.09615	3.7
137.13229	0.9
138.06575	1.0
139.03882	2.4
139.07503	1.5
139.11172	0.6
144.09320	0.8
145.02818	25.0
145.06548	0.7
145.07559	1.0
146.03058	0.6
147.04411	3.4
148.05151	0.9
148.97267	0.7
149.02306	1.3
149.05960	10.6
149.09605	3.3
149.13277	2.5
150.06445	0.6
151.03893	1.3
151.07506	0.9
151.11153	1.6
152.04689	0.8
152.08237	0.5
153.05440	2.8
153.09096	1.4
153.12733	1.7
154.06229	6.7
158.99623	1.0
159.08063	0.6
159.11685	3.2
162.03101	0.7
163.03896	4.4
163.07515	32.4
164.07982	0.9
165.05464	2.5
165.06955	2.2
167.07013	36.7
167.08435	1.6
168.07474	1.4
175.14804	0.9
177.00623	2.0
177.05438	30.3
177.08897	2.6
177.12677	5.2
177.15323	3.7
178.04944	1.6
180.07811	7.4
180.09297	1.2
186.05502	0.6
195.02814	2.0
195.06520	4.4
195.08311	2.5
195.10126	33.7
195.11655	1.6
195.13776	5.5
195.15721	1.6
195.17377	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0649
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03939	0.5
53.25525	0.4
53.38176	0.5
55.01870	1.3
55.05500	1.3
57.07056	0.6
63.02377	0.8
65.03923	0.9
67.05488	1.8
69.07054	1.6
78.04703	1.5
79.05486	3.5
81.03387	0.5
81.07050	3.9
83.04961	0.9
89.03903	24.4
89.29919	0.4
90.04229	0.6
91.05463	4.8
92.00835	0.4
93.03447	0.4
93.07027	4.5
95.04955	2.0
95.08565	2.5
97.06507	0.6
103.05443	1.7
105.04483	0.5
105.07018	1.6
106.04148	1.5
107.04932	5.2
107.07920	0.5
107.08581	2.9
109.06499	0.7
109.10124	0.6
111.04436	1.3
111.08066	0.6
117.03360	48.7
117.06961	0.8
118.03672	0.5
119.04912	0.7
119.08566	1.2
121.06487	1.7
121.10152	2.8
121.90774	0.5
123.08044	4.3
124.05210	0.9
125.06059	0.6
131.08559	0.7
133.02795	0.6
133.10121	0.9
134.03613	7.2
135.04404	8.7
135.07993	2.4
135.11679	2.1
137.05931	0.6
139.07510	0.7
139.24466	0.4
145.02823	85.1
146.03137	2.4
149.05960	22.6
149.09572	0.8
149.13243	0.8
150.06351	0.8
151.11089	0.5
153.05473	1.0
153.06946	0.8
158.06026	0.9
159.11670	1.1
162.03084	2.1
163.03886	11.6
163.07516	1.1
165.07024	3.0
167.07014	1.3
167.08563	0.9
177.05441	100.0
177.12724	2.0
178.05783	2.2
180.09303	2.7
186.05486	3.4
195.02847	0.6
195.06433	1.5
195.08084	1.1
195.10086	1.8
195.11667	4.6
195.13724	1.7
195.15417	0.5
205.82288	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0649
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
63.02359	0.8
67.05481	0.4
69.82702	2.1
69.83119	0.8
78.04707	1.4
79.05507	0.9
81.07042	1.0
85.06533	0.7
89.03906	25.8
90.04213	0.6
91.05468	2.4
93.07033	0.5
93.83736	0.4
95.04951	0.8
95.08617	0.4
103.05459	1.3
105.03414	0.4
106.04181	1.6
107.04955	1.2
107.08557	0.5
111.04420	0.4
117.03364	47.1
118.03654	1.0
121.06463	1.1
121.10108	0.4
124.05188	0.6
125.05991	0.5
134.03607	8.9
135.04391	6.9
135.08113	0.5
145.02827	86.5
146.03192	2.1
149.05960	21.7
150.06342	0.8
159.11615	0.4
162.03091	1.7
163.03877	8.5
177.05446	100.0
178.05820	2.5
179.93321	0.5
186.05519	2.1
195.06441	0.9
195.13686	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01857	1.0
55.05511	2.0
57.03431	0.4
57.07079	0.8
63.02346	0.5
63.70272	0.3
65.03924	0.9
67.05495	4.0
69.03407	0.8
69.07053	2.5
71.01330	0.5
71.04984	0.9
71.22147	0.9
78.04700	1.5
78.27725	0.4
79.05485	5.5
80.25459	0.4
81.03420	1.1
81.07047	6.4
83.04977	1.6
83.08609	1.0
84.08150	0.7
85.06517	0.6
89.03905	30.0
90.04240	0.5
91.05469	5.9
91.06955	0.4
93.03386	0.5
93.07026	5.5
95.04968	1.9
95.08592	3.6
97.06535	1.9
99.04414	0.5
99.08073	0.8
103.05456	2.3
105.03297	0.4
105.04526	0.5
105.07008	2.0
106.04160	1.8
107.04936	5.7
107.08579	2.8
109.06498	1.2
109.10129	1.1
111.04427	1.1
111.08064	0.9
117.03361	52.1
117.06998	0.6
118.03704	1.1
119.08580	0.9
121.06467	2.5
121.10123	2.6
123.08061	0.6
124.05170	1.1
125.05965	0.8
131.04907	0.7
131.08560	1.4
133.06509	0.5
133.10094	1.7
134.03621	8.8
135.04407	10.1
135.08032	2.1
135.11678	3.7
137.05954	0.9
137.09616	0.6
139.07504	0.4
145.02826	93.5
146.03180	2.2
147.04466	0.5
149.05956	25.2
149.09567	1.0
149.13304	1.1
151.07530	0.5
153.05426	0.9
154.06192	0.5
158.05954	1.0
159.11681	1.4
162.03146	2.7
163.03891	11.0
163.07529	0.7
165.05510	0.4
165.06964	1.7
167.06981	1.3
167.08510	0.8
177.05444	100.0
177.12677	1.6
177.16370	0.9
177.89734	0.4
178.05785	3.0
180.09264	1.1
186.05505	4.1
195.02856	1.3
195.06471	2.3
195.07991	0.8
195.10158	1.2
195.11644	2.6
195.13770	1.4
195.17401	0.8
196.17145	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03923	0.7
55.01862	0.9
55.05490	1.5
57.03424	0.4
57.07053	0.6
58.99294	0.3
60.81882	0.4
63.02370	0.8
65.03941	0.6
67.05502	1.8
68.99777	0.3
69.03423	0.8
69.07048	2.0
70.15343	1.2
70.15754	0.6
70.38744	0.3
71.04976	0.5
75.29971	0.3
77.03947	0.4
78.04707	1.2
79.05482	2.8
81.03389	0.4
81.07040	4.0
83.04973	0.7
83.08588	0.6
84.08112	0.6
85.06539	0.7
89.03901	25.1
90.04221	0.7
91.05465	4.3
93.03374	0.5
93.07032	4.2
95.04961	1.7
95.08599	3.2
97.06506	0.8
99.08055	0.6
103.05450	1.9
105.06999	1.3
106.04167	1.8
107.04930	4.9
107.08595	2.8
109.06502	0.8
109.10163	1.1
111.04411	1.2
111.08067	0.4
117.03356	45.7
118.03580	0.6
119.04922	0.7
121.06493	1.8
121.10107	2.9
123.08039	0.6
124.05162	0.8
125.05964	1.1
125.09607	0.5
131.04912	0.5
131.08519	0.7
133.02707	0.4
133.06506	0.3
133.10060	0.4
134.03610	8.4
135.04401	8.4
135.08005	1.2
135.11642	2.2
137.05959	0.5
139.03856	0.8
145.02818	87.7
146.03139	2.0
149.05946	22.2
149.09586	0.5
149.13257	0.9
153.05420	1.0
154.06195	2.8
158.05983	0.7
159.11679	1.0
162.03069	2.2
163.03874	10.1
163.07523	1.1
165.06969	1.0
167.06975	0.9
167.08559	1.2
171.35423	0.3
173.62016	0.3
177.05435	100.0
177.12723	0.8
177.16335	1.9
178.05791	2.1
180.04231	0.4
180.09337	1.2
186.05481	2.9
195.01134	0.4
195.02802	0.7
195.06454	1.4
195.08139	1.0
195.10110	1.0
195.11671	1.9
195.13789	1.4
195.17488	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	cis-ferulic acid
Peak:m/z	Relative Intensity
51.02346	1.6
53.03940	10.2
55.01865	6.5
55.05492	3.4
56.05019	1.1
56.96548	1.7
57.03399	1.5
57.07072	1.2
65.03936	1.9
67.05494	5.4
67.13084	1.0
68.05016	1.1
68.99780	1.0
69.03408	2.5
69.07047	3.2
70.06577	1.1
71.01324	4.5
71.14046	2.7
73.02885	1.8
79.05020	1.4
79.05479	21.1
79.28043	1.0
81.03415	9.0
81.04498	1.3
81.07047	14.7
82.06541	1.7
83.04951	2.6
83.06082	1.8
83.08584	1.0
83.77085	1.0
84.08141	6.1
85.02859	1.2
85.06487	1.4
85.07639	1.0
86.99248	1.0
89.03879	1.2
89.06008	2.6
91.05464	37.0
92.05790	1.4
93.03413	1.5
93.07032	40.5
95.04955	16.7
95.06028	1.4
95.08573	3.4
96.05587	1.7
97.02893	1.5
97.06495	1.6
97.07597	1.4
98.97561	1.9
99.00805	1.7
99.04434	1.2
102.04679	1.1
103.05454	25.5
105.04515	2.4
105.07022	12.6
107.04943	15.8
107.08560	6.6
109.02783	1.4
109.06495	4.6
109.10104	2.6
111.04428	3.4
111.05537	2.7
111.08038	1.5
115.05365	1.3
117.03372	4.8
119.04896	2.8
119.08571	1.0
121.02851	1.7
121.06490	100.0
121.10099	5.0
122.06820	2.6
123.08002	2.2
125.05993	1.6
125.09555	1.3
126.06680	1.2
130.96231	1.1
131.04906	11.3
131.08543	2.6
133.06451	1.9
134.03625	1.5
135.04378	4.8
135.08066	6.0
135.11671	3.2
136.04959	1.3
136.07578	1.4
137.05934	2.1
139.03853	1.4
139.07529	1.7
145.02815	7.1
147.04417	1.0
148.97311	2.4
149.02348	1.5
149.05959	78.4
149.09595	4.0
149.13289	1.1
149.97122	1.5
150.06516	2.4
151.03906	1.4
151.11136	1.4
153.05449	4.6
159.04361	6.3
163.03894	3.5
163.07481	2.6
165.05437	2.2
167.03391	1.3
167.07028	12.6
167.08281	2.6
171.98901	1.5
175.97772	1.0
177.05440	37.9
177.07014	1.9
177.08905	5.8
195.02959	6.4
195.04771	1.9
195.06430	13.3
195.08203	2.4
195.09959	6.8
195.11392	1.4
195.13797	1.5
195.15770	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03922	4.2
55.01847	3.2
55.05502	17.6
57.03412	2.6
57.07072	6.2
64.86479	0.9
65.03919	2.9
67.05495	79.4
68.05795	1.4
69.03404	2.4
69.06689	1.2
69.07056	19.5
69.60957	8.9
71.04967	3.5
71.08606	1.2
79.05478	23.5
80.05799	1.1
81.03409	24.8
81.07044	95.7
82.07368	1.2
83.04950	4.2
83.08596	8.9
85.06512	2.8
90.04644	1.6
91.05466	20.2
92.05825	1.2
93.07026	18.2
95.04962	12.5
95.08592	100.0
96.08884	1.3
97.06509	2.7
97.10133	3.9
99.08087	1.9
103.05457	13.7
104.06261	1.9
105.07014	81.2
106.07310	2.4
107.04933	3.7
107.08575	25.1
108.08897	1.3
109.06506	5.9
109.10140	85.6
110.10445	1.7
111.08032	3.1
111.11694	1.3
115.05436	19.0
117.06981	2.1
118.04134	8.2
119.04926	2.8
119.08562	31.9
121.06458	1.4
121.10114	9.2
123.04385	1.6
123.08049	5.1
123.11687	28.4
129.06975	4.0
131.04892	4.0
131.08528	3.5
132.05669	2.1
133.02802	3.8
133.06476	63.3
133.10110	60.6
134.06818	2.3
134.10481	1.4
135.07938	1.2
135.11674	42.8
137.05965	3.5
137.09592	6.4
137.13217	9.8
142.07721	1.1
143.05984	5.2
145.10080	2.7
147.04384	3.9
147.08054	2.8
147.11661	11.5
149.02301	1.5
149.05978	2.1
149.09598	1.1
149.13242	2.0
150.03123	1.6
151.01775	1.1
151.07513	1.2
151.11224	2.4
151.14799	3.4
157.10091	1.7
160.05101	1.4
160.12440	1.5
161.05962	65.8
162.06276	2.8
165.05438	2.8
165.06911	1.6
165.09166	1.5
175.03908	1.6
175.07483	3.0
175.11134	3.3
175.14810	52.5
176.15184	1.2
178.02562	2.4
178.07785	1.1
193.04884	10.8
193.06677	1.4
193.08557	24.3
193.10020	1.6
193.12201	6.3
193.15851	33.1
193.19516	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	193.1585
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
51.75291	0.8
51.83912	0.9
55.01844	1.7
55.05507	11.8
55.71192	0.9
55.99973	0.9
57.03415	1.2
57.07066	5.3
59.04999	1.4
65.03920	1.5
67.05493	15.0
69.03397	2.0
69.06756	1.0
69.07059	12.9
70.84469	1.6
71.04970	1.5
72.48623	1.1
79.05493	9.6
81.03400	6.9
81.07043	16.6
83.04949	3.6
83.08613	5.7
85.06508	3.2
91.05463	15.4
93.07015	12.8
95.04948	6.7
95.08012	1.7
95.08591	29.7
97.06503	4.4
99.08059	2.3
103.05440	3.2
105.07011	36.1
107.04884	1.3
107.08576	15.5
109.06496	12.8
109.10136	23.5
111.08044	2.0
115.05435	2.7
117.06966	3.7
117.80096	0.9
118.04182	1.6
119.08556	66.7
120.08814	1.3
121.10094	8.0
123.04371	1.4
123.08044	9.2
123.11706	3.9
129.06998	2.0
131.08522	2.8
133.02872	1.1
133.06471	12.1
133.10103	70.7
134.10901	1.5
135.08003	1.2
135.10637	1.5
135.11659	21.9
137.05948	1.7
137.09602	11.0
145.10080	5.4
147.08023	1.3
147.11664	21.4
149.02390	1.1
149.13200	6.8
151.11156	4.1
151.14799	4.5
152.03113	1.0
152.07024	2.6
156.17400	1.0
157.10023	1.2
160.12434	4.0
161.05940	8.7
165.12709	1.5
175.07486	1.8
175.14792	100.0
176.15115	3.2
178.02516	1.3
193.04974	6.1
193.06531	1.3
193.08575	3.9
193.10637	1.2
193.12199	7.1
193.15855	34.7
193.17583	2.0
194.16154	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
51.77419	0.9
53.03921	1.0
55.01871	1.4
55.05507	7.5
57.07053	4.3
66.77781	0.9
67.05491	14.4
69.03407	1.6
69.07064	13.9
70.99728	2.3
71.00066	1.3
79.05486	7.6
80.83952	0.9
81.03391	1.3
81.07043	18.5
83.04958	2.7
83.08618	4.6
85.06496	1.7
91.05464	12.1
93.07022	10.0
94.13332	0.9
95.04936	3.1
95.08588	32.7
97.25582	1.0
103.05440	5.5
105.07011	49.3
107.08572	15.1
109.06484	3.6
109.09401	2.0
109.10138	29.9
115.05443	7.4
117.07010	2.9
118.04122	2.6
119.08559	73.7
121.10149	8.9
123.08048	4.3
123.11659	3.4
131.04951	1.1
131.08505	3.5
133.02771	1.0
133.06471	26.5
133.10107	84.3
134.10815	1.0
135.11664	20.2
137.09575	9.3
138.76773	1.0
143.06004	1.8
145.10109	7.5
147.11656	24.6
149.13211	7.3
151.11166	1.5
151.14838	5.6
156.70233	0.9
159.11633	1.1
159.46124	0.8
160.12416	5.8
160.78462	1.0
161.05946	22.4
173.13252	2.7
175.07521	1.3
175.14799	100.0
176.15164	3.5
178.02493	1.5
193.04959	3.3
193.08522	4.6
193.12202	1.8
193.15868	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	193.1584
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03937	3.4
53.41756	1.5
55.01843	1.7
55.05503	35.5
57.03420	3.2
57.07060	8.8
59.04991	6.7
65.03904	1.9
67.05496	51.6
69.03409	3.7
69.07053	21.5
69.42917	10.6
69.43330	3.1
71.04971	5.7
79.05482	19.6
81.03385	3.6
81.07045	39.2
83.04966	32.1
83.08608	10.6
84.61378	1.5
85.06529	17.0
86.28277	1.4
91.05470	18.8
93.07025	48.6
95.04954	13.9
95.08590	41.8
97.06527	4.0
97.10128	1.6
99.08073	23.6
103.05450	2.5
105.07014	31.4
107.08576	50.9
109.06493	21.1
109.10136	100.0
110.10499	1.4
111.08046	7.3
115.05437	1.6
117.07036	2.5
119.08559	40.4
121.06495	1.6
121.10128	28.8
123.08057	17.7
123.11667	12.3
125.09559	1.9
130.96242	1.2
131.08537	2.8
133.02835	1.8
133.06461	6.8
133.10104	49.5
133.66254	1.4
134.10486	1.3
135.11670	72.8
136.11967	1.8
137.05933	1.4
137.09592	85.1
138.09985	2.2
145.10101	1.3
147.11664	9.5
149.13228	5.8
151.11148	9.7
151.14799	7.3
161.05942	4.1
165.12805	1.4
165.16287	2.5
169.87544	1.3
175.11209	3.4
175.13382	2.5
175.14806	31.5
193.04904	9.5
193.08504	2.6
193.12195	4.2
193.15855	84.7
194.16208	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
52.08167	0.7
55.05503	5.5
57.07066	4.5
60.81239	0.7
67.05499	9.2
69.03399	0.9
69.07053	11.7
69.77712	5.3
71.04948	0.8
79.05469	3.3
81.03410	4.2
81.07044	7.7
83.04959	1.1
83.08598	4.7
85.06536	1.3
91.05470	11.5
92.42039	0.8
93.07024	9.9
95.04934	2.7
95.08590	24.3
95.09194	1.2
103.05431	1.1
105.07012	19.3
106.07347	0.9
107.08588	9.4
109.06491	2.5
109.10136	21.2
115.05446	1.3
115.95939	0.7
117.07008	3.0
119.08559	63.7
119.77023	0.8
121.10120	6.4
123.08035	3.3
123.11685	1.9
131.08537	2.6
133.06441	2.2
133.10107	82.0
134.10347	0.8
134.10902	0.7
135.11681	18.0
137.09593	7.5
145.10094	5.2
146.10757	0.7
147.11662	19.8
149.13239	6.2
151.11206	1.0
151.14799	2.9
159.11612	0.8
160.12457	4.6
161.05949	1.7
161.96951	0.7
173.13249	1.9
175.14796	100.0
176.15111	3.2
193.04921	1.7
193.08575	1.3
193.12157	1.9
193.15860	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	193.1585
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
54.20039	0.6
55.01849	0.8
55.05511	6.8
56.01767	0.7
57.07061	4.8
59.04981	0.8
62.08250	0.6
62.46213	0.7
67.05496	11.4
69.03397	1.8
69.07063	11.5
71.04961	0.9
71.61543	1.0
77.03892	0.8
79.05485	6.4
81.03382	2.7
81.07052	9.2
82.72503	0.6
83.04988	1.5
83.08617	4.7
85.06525	2.1
91.05463	11.7
93.07034	9.9
95.04932	2.9
95.08595	24.7
97.06626	0.6
99.08076	2.5
103.05457	4.0
104.06233	0.7
105.07015	37.6
107.08588	11.6
109.06512	3.8
109.10139	23.2
115.05444	3.1
117.06980	2.8
118.04141	2.4
119.08563	68.5
120.08955	0.6
120.09338	0.7
121.10122	6.3
123.08015	4.0
123.11678	2.7
125.45056	0.7
128.22229	0.7
131.04942	1.1
131.08507	4.5
132.05676	0.8
133.02832	1.4
133.06476	13.6
133.10110	83.4
134.10727	1.3
135.11670	18.7
137.05994	0.8
137.09595	9.3
143.05940	0.8
145.10104	6.1
146.10875	1.0
147.04399	0.7
147.08051	1.0
147.11667	21.9
148.11963	1.2
149.13260	7.0
151.11226	1.6
151.14832	3.8
159.11691	1.5
160.12451	3.6
161.05954	10.9
165.05336	0.8
173.13235	1.8
175.14801	100.0
176.15068	3.4
178.02568	0.8
178.06207	1.4
178.07666	1.2
193.04993	5.1
193.08539	4.7
193.10132	1.1
193.12198	2.3
193.15886	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	193.1584
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
52.05191	0.8
52.88340	1.0
53.03921	1.1
55.01860	1.8
55.05508	6.8
57.03423	1.4
57.07060	3.9
59.04994	1.3
65.03912	1.0
67.05493	13.2
69.03421	1.5
69.07060	11.5
71.70554	1.5
79.05487	8.7
81.03392	3.6
81.07041	16.5
82.07410	1.0
83.04954	2.1
83.08607	4.3
85.06510	2.2
91.05473	13.1
91.46412	0.8
93.07030	12.0
95.04948	3.8
95.08588	24.2
97.06509	1.5
101.33480	0.8
103.05460	5.0
105.07013	44.7
106.07329	1.3
107.08569	12.2
109.06493	4.5
109.10143	21.8
115.05443	5.2
117.06986	2.9
118.04157	1.7
119.08563	69.0
120.08865	0.8
121.10145	6.4
123.04375	2.5
123.08040	4.6
123.11707	3.3
131.04955	1.0
131.08531	3.3
132.09300	1.1
133.02827	1.5
133.06470	16.0
133.10107	76.5
134.06921	1.0
134.10661	1.5
135.08005	1.0
135.11671	18.4
137.09598	6.9
137.13255	1.5
138.95207	0.8
143.06027	1.4
145.10094	4.8
145.99675	0.9
147.04274	1.4
147.08105	1.2
147.11661	28.9
149.13232	6.5
151.11238	1.5
151.14801	6.1
160.12454	3.7
161.05969	14.8
175.11214	2.6
175.14796	100.0
176.15138	3.6
178.02522	1.1
178.07748	1.1
193.04884	5.6
193.08548	7.6
193.10143	1.8
193.12151	8.8
193.15900	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	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03926	1.5
54.81830	0.8
55.05274	0.9
55.05502	11.4
55.19700	0.8
56.96543	1.3
57.07063	2.2
59.04974	2.5
62.01097	0.8
65.03923	1.2
67.05494	9.7
69.07060	26.9
71.04626	1.2
71.04984	14.5
79.05479	9.9
81.03388	1.3
81.07047	24.1
83.04951	1.5
83.08589	3.5
85.06536	12.9
91.05465	8.7
93.07028	27.8
95.04955	37.6
95.08591	19.2
97.06505	3.3
97.10159	7.1
98.21473	1.9
99.08072	4.2
105.07014	14.6
107.08578	33.9
108.08903	0.9
109.06502	100.0
109.10134	11.8
110.06798	1.3
111.08056	6.1
111.11713	2.0
113.09676	1.0
119.08563	26.5
121.10125	7.0
123.08051	5.1
123.11681	18.4
123.66325	0.9
129.07002	1.2
131.08537	1.5
133.02829	0.9
133.06458	4.2
133.09123	0.5
133.10103	21.6
135.11670	32.2
136.12021	1.1
137.06001	1.2
137.09596	12.0
147.11662	4.5
149.13261	7.7
151.11151	6.6
161.05975	2.3
165.05441	1.0
165.12694	1.0
175.03751	1.0
175.14798	37.4
176.15158	1.1
178.02539	1.2
178.07677	1.0
193.04977	7.1
193.08513	2.0
193.10135	1.1
193.12238	2.7
193.15865	49.7
194.15477	1.3
208.20738	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1221
Annotation	Phenethyl butyrate
Peak:m/z	Relative Intensity
51.02376	0.4
52.57393	0.3
53.03927	1.9
55.01866	5.5
55.05505	2.9
56.96558	0.6
57.03420	1.3
57.07065	1.2
58.34131	0.3
59.04990	18.3
65.03934	1.2
66.04710	0.6
67.05495	3.7
69.03419	3.1
69.07046	1.9
71.04983	0.7
71.69192	0.4
71.69675	0.4
77.03898	0.7
79.05478	15.6
80.04996	0.5
81.03397	1.8
81.04524	0.3
81.07041	12.2
81.70074	0.3
82.06571	0.4
83.04960	4.7
83.08605	0.9
84.08112	0.4
85.02906	0.5
85.06534	1.3
89.03912	0.5
90.04686	1.5
91.05460	14.8
93.07025	6.2
94.04189	0.7
95.04951	5.2
95.06039	0.5
95.08591	3.7
97.02843	0.8
97.06526	1.1
98.97568	1.3
99.08074	0.4
102.04696	0.5
103.05453	14.8
104.06237	0.6
105.03367	0.9
105.07011	100.0
106.07330	2.1
107.04944	2.7
107.08575	6.4
108.04486	0.4
109.06498	33.0
109.10132	3.6
110.06827	0.4
111.04424	0.6
111.08044	0.9
111.84144	0.3
115.05434	20.7
116.98566	0.7
117.06999	1.1
118.04129	10.2
119.04952	2.4
119.08563	9.1
121.06479	3.0
121.10133	4.4
122.03669	0.5
123.04403	0.8
123.08069	2.8
123.11691	1.6
129.07024	1.8
131.04903	3.4
131.08542	2.1
132.05705	1.8
133.02893	3.0
133.06468	77.7
133.10100	12.2
133.73564	0.4
134.05933	0.5
134.06805	1.8
134.99680	0.7
135.08051	2.4
135.09018	0.5
135.11679	2.0
136.07483	0.4
137.05965	3.6
137.09572	2.6
138.10182	0.4
142.07764	2.5
143.04898	1.3
143.06038	4.6
145.06442	0.8
145.10115	1.0
147.04384	1.7
147.08018	2.2
147.11667	5.6
149.02304	0.5
149.05974	1.2
149.09596	2.3
149.13257	1.5
150.03127	0.6
150.10306	0.5
151.07538	1.4
151.11145	2.8
151.14787	0.5
157.10118	2.6
160.08815	0.8
161.05954	73.8
161.41008	0.3
162.06328	1.8
165.01845	0.4
165.05458	1.6
165.07484	0.9
165.09084	0.9
165.12749	0.8
175.03923	1.0
175.07492	0.9
175.11163	3.9
175.14810	3.5
176.11816	0.3
177.00829	0.4
178.02620	2.2
178.06227	0.9
178.07780	0.4
193.04942	8.6
193.06856	3.6
193.08582	11.4
193.10327	0.8
193.12202	10.6
193.14156	1.4
193.15785	3.6
194.15445	0.7
195.88759	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.122
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02349	0.7
53.03933	4.9
55.01863	4.2
55.05502	14.1
57.03426	3.7
57.07066	3.2
59.04991	1.4
65.03918	3.1
67.05493	50.2
68.05828	0.6
69.03420	4.0
69.07059	18.1
71.01343	0.8
71.04977	4.5
71.08631	0.7
71.69953	0.6
77.03938	0.5
79.05481	26.5
81.03403	100.0
81.07041	50.8
82.03747	0.6
83.04968	5.8
83.08605	16.0
85.02892	0.6
85.06538	2.6
91.05464	27.6
92.05793	0.6
93.07026	19.1
95.04951	39.2
95.08589	45.6
96.08932	0.6
97.02871	1.8
97.06512	6.0
97.10175	2.1
99.08067	1.7
103.05450	7.0
104.06224	0.6
105.03352	0.5
105.07013	52.2
106.07326	1.0
107.04931	7.3
107.08577	17.8
109.02855	0.7
109.06501	12.3
109.10138	38.1
111.04449	2.3
111.08064	3.8
111.11702	1.3
115.05435	7.8
116.06215	0.5
117.07021	2.4
118.04153	3.6
119.04939	1.6
119.08562	42.1
120.08804	0.6
121.06497	2.6
121.10126	9.1
123.04420	2.4
123.08051	11.6
123.10863	0.9
123.11689	10.2
125.09582	1.0
128.06184	0.7
129.06996	8.4
131.04881	2.1
131.07631	0.8
131.08556	9.3
132.05704	1.0
133.02840	1.4
133.06473	27.1
133.10106	48.5
134.06906	0.9
134.10385	0.6
135.08040	1.0
135.11670	24.7
137.05948	1.9
137.09607	9.5
137.13257	3.6
142.07732	3.2
143.06041	1.3
145.10091	3.3
146.10905	0.5
147.04349	1.2
147.08049	5.2
147.11664	15.9
149.02347	1.1
149.05986	0.7
149.09599	4.1
149.13251	3.9
150.03090	0.8
151.03827	0.7
151.07474	0.7
151.11176	2.1
151.14812	3.1
152.07060	1.3
157.10104	5.6
160.05141	0.5
160.12433	1.5
161.05952	26.3
162.06453	0.5
163.11261	0.5
165.05457	1.5
165.06836	0.5
165.09030	0.9
165.12729	1.6
166.08569	0.7
173.56386	0.5
175.07520	1.1
175.11223	6.6
175.14798	50.8
176.15108	1.5
178.02580	2.0
178.09982	0.6
193.04945	7.1
193.08572	8.1
193.10255	0.9
193.12209	23.6
193.15857	25.0
193.19473	3.3
194.08122	0.8
194.12657	0.6
196.43448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1221
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02374	1.7
53.03935	7.5
55.01866	4.9
55.05504	10.8
57.03424	2.4
57.07062	1.4
57.83042	0.8
59.04995	1.0
61.63587	0.8
65.03938	4.3
67.05498	34.7
69.03413	3.1
69.07059	10.8
70.08680	3.8
71.04982	11.4
73.06551	1.0
77.03930	1.0
79.05483	58.4
81.03410	38.9
81.07045	28.4
82.03728	0.9
83.04971	7.8
83.08604	8.0
85.02866	1.0
85.06516	5.0
87.04462	1.3
91.05468	100.0
92.05802	1.4
93.07030	93.4
94.04179	1.3
94.07368	1.1
95.04954	38.9
95.08588	8.1
97.02888	1.3
97.06519	2.9
103.05478	5.8
104.49364	0.9
105.04494	3.0
105.07017	67.5
107.04940	4.9
107.08585	6.7
109.02895	1.4
109.06498	8.6
109.10165	5.6
111.04433	1.5
111.08086	2.0
113.05989	1.8
115.05447	7.0
116.06237	1.1
117.06999	2.4
118.04127	2.0
119.04939	1.5
119.08562	30.5
121.06469	2.3
121.10135	5.0
123.04428	1.9
123.08040	2.6
123.11669	1.7
127.07571	1.4
128.06215	1.3
129.06992	19.6
130.25070	0.8
131.04910	1.1
131.08553	25.5
133.02844	4.4
133.06485	19.6
133.10112	98.4
134.10463	1.1
135.04472	0.9
135.11696	3.7
137.05951	4.2
137.09624	2.7
142.07765	5.3
143.06024	1.2
145.10083	2.1
146.97446	2.3
147.04451	2.9
147.08070	7.2
147.11662	22.7
149.02345	1.9
149.05980	0.9
149.09601	2.3
149.13239	1.7
151.03873	0.9
151.07571	1.5
151.11211	1.8
151.14774	0.8
155.08553	0.8
157.10100	18.9
158.57925	0.9
161.05951	15.6
165.05510	3.5
165.09106	1.0
165.12708	1.0
175.03966	1.2
175.07504	1.6
175.11172	18.6
175.14790	12.6
178.02646	3.8
178.07715	1.6
193.04929	17.9
193.06709	1.7
193.08487	8.1
193.10153	2.5
193.12198	22.9
193.15881	6.7
193.17680	1.8
194.08102	1.6
194.15395	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1221
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03730	1.4
53.03941	12.7
53.45560	1.3
55.01862	6.0
55.05506	17.5
55.78215	1.4
57.03421	6.2
65.03920	4.4
67.05495	52.5
69.03404	6.4
69.07061	11.3
69.40090	13.0
69.40515	4.9
71.04989	11.4
73.06527	1.4
77.03973	1.5
79.05481	63.0
81.03405	100.0
81.07045	41.0
82.03694	1.8
83.04972	12.0
83.08257	1.3
83.08624	14.7
85.06526	4.5
86.41041	1.7
91.05467	95.4
93.07030	75.0
95.04959	50.7
95.08582	15.3
97.06519	4.7
99.08106	1.9
103.05438	5.8
105.04507	3.4
105.07013	68.2
105.07719	3.5
106.07388	2.0
107.04951	12.5
107.08562	14.7
109.02841	3.0
109.06496	13.2
109.10124	7.4
111.04427	2.2
111.08048	4.5
113.06011	3.0
115.05412	6.1
117.06974	4.6
119.04921	4.0
119.08566	41.4
121.06509	3.0
121.10091	8.7
123.04408	3.9
123.08017	3.4
123.11705	2.5
128.06154	2.5
129.06990	19.8
131.08556	25.0
133.02831	4.8
133.06467	19.2
133.10107	89.1
134.10452	1.8
135.08008	3.5
135.11676	11.3
137.05980	4.0
137.09607	6.7
142.07741	7.3
145.10104	4.3
147.04362	3.9
147.08022	11.8
147.11668	26.9
149.02341	2.3
149.05928	2.1
149.09634	4.2
149.13214	2.2
151.07570	1.7
151.11143	2.4
157.10112	23.8
161.05983	17.4
164.97630	1.5
165.05447	4.7
175.03874	1.7
175.11177	28.8
175.14809	24.6
178.02588	4.6
178.07668	2.0
179.15491	1.5
183.91708	1.7
193.04922	23.7
193.06462	2.8
193.08414	8.7
193.10315	3.8
193.12212	43.9
193.15872	9.3
193.17581	1.6
194.15329	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	193.0857
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.02365	0.6
51.11904	0.4
53.03931	1.4
55.01862	4.1
55.05499	3.0
57.03427	1.0
57.07061	1.7
58.94731	0.4
65.03918	1.5
66.04701	1.2
67.05499	5.9
68.91435	0.5
69.03412	1.9
69.06779	0.4
69.07066	4.0
69.51904	2.6
69.52330	1.7
71.04982	1.2
77.03899	1.0
79.05482	17.2
81.03407	3.8
81.07045	7.4
83.04975	1.9
83.08601	1.8
85.06522	1.2
89.03939	0.5
89.71764	0.4
90.04682	1.2
91.05468	11.5
92.02583	0.4
93.07029	5.8
94.04183	0.8
95.04964	5.4
95.08582	8.9
97.06517	1.0
97.10139	0.6
100.87889	0.4
102.04691	0.5
103.05455	15.9
104.06277	2.3
105.07014	100.0
106.07332	2.6
107.04936	1.9
107.08576	6.5
107.60400	0.4
109.06505	4.3
109.10143	7.4
111.08051	0.9
115.05437	20.8
117.06998	1.4
118.04145	12.5
119.04900	1.4
119.08566	17.3
119.09260	0.3
121.06477	0.9
121.10153	3.2
123.04409	1.8
123.08035	3.5
123.11689	2.5
129.06955	0.9
129.77376	0.4
130.07178	0.4
131.04930	5.3
131.08563	1.4
132.05698	2.8
133.02855	2.6
133.06470	83.8
133.10106	18.3
134.06844	1.8
135.04311	0.8
135.08020	1.7
135.11668	7.6
137.05948	2.5
137.09607	4.3
137.13179	0.7
138.10367	0.6
143.04895	1.7
143.06027	5.9
145.06512	0.5
145.10083	1.5
147.04375	1.7
147.08037	2.3
147.11658	7.9
148.07637	0.5
149.02330	1.3
149.03415	0.5
149.05972	1.3
149.09563	1.1
149.13197	2.2
150.03093	0.9
151.03908	0.7
151.07492	0.7
151.11107	1.7
151.14862	0.7
152.08072	0.4
156.01817	0.4
157.10086	1.0
160.05107	1.2
161.05957	77.7
162.06337	2.0
165.05470	1.9
165.06830	0.6
165.09105	0.7
165.12735	1.0
175.03822	1.1
175.07555	1.3
175.11153	1.6
175.14803	16.0
178.02592	2.2
178.06250	0.9
178.07782	0.9
193.03220	0.7
193.04951	10.2
193.08574	31.3
193.10017	1.5
193.12187	4.7
193.15852	7.5
194.08963	1.0
194.15370	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0858
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
50.43229	0.4
53.03936	1.9
55.01866	3.7
55.05496	2.8
57.07063	1.0
58.80759	0.4
65.03934	1.1
66.04716	0.7
66.91486	0.4
67.05502	5.4
67.92979	0.4
69.03412	1.2
69.07065	3.5
71.04980	1.1
71.31924	1.0
79.05480	14.6
80.05813	0.4
81.03405	1.4
81.07042	7.7
83.04974	1.4
83.08588	1.1
85.06484	0.5
89.03893	0.5
90.04687	1.0
91.04930	0.5
91.05469	10.2
93.07031	4.4
94.04233	0.5
95.04961	4.4
95.08585	9.1
97.06529	0.9
99.08049	0.9
102.04681	0.6
103.05457	14.5
104.06237	1.5
105.07014	100.0
106.07365	2.7
106.60710	0.5
107.04934	1.8
107.08581	4.4
109.02820	0.5
109.06491	3.9
109.10145	7.4
111.08082	0.7
115.05440	21.7
116.05745	0.5
117.06968	1.2
118.04145	11.4
119.04945	0.9
119.08561	11.7
121.06500	1.0
121.10126	2.9
123.04398	0.8
123.08036	2.4
123.11684	1.8
125.09598	0.4
129.06973	1.0
131.04900	3.7
131.08557	1.2
132.05722	2.1
133.02829	1.3
133.06473	79.2
133.10103	12.0
134.06819	1.9
135.08022	1.2
135.11665	5.6
137.05951	2.3
137.09589	2.7
143.04887	1.9
143.06021	5.3
145.10069	1.0
147.04428	1.3
147.08031	1.4
147.11659	5.9
149.02306	0.8
149.05959	1.6
149.09598	0.7
149.13240	1.5
150.03075	0.5
150.06609	0.5
151.11183	2.1
151.14815	0.9
160.05157	0.7
161.05960	78.8
162.06288	2.7
165.05415	1.4
165.09126	0.6
165.12723	1.0
175.03894	0.6
175.07494	1.6
175.11157	1.8
175.13403	0.9
175.14806	12.9
178.02597	2.2
178.06223	1.3
178.07715	0.9
193.03191	0.6
193.04964	7.7
193.06950	0.8
193.08566	22.8
193.10042	1.2
193.12204	3.2
193.15875	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	193.0857
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03931	1.8
55.01867	4.5
55.05494	2.1
60.67358	0.5
67.05495	3.5
69.03417	0.7
69.07045	1.9
71.04964	1.6
71.22296	1.0
79.05480	13.5
81.03410	1.8
81.07049	3.3
83.08598	1.4
85.06519	1.1
90.04671	1.2
91.05470	8.1
93.07016	3.1
95.04930	3.1
95.08605	3.3
99.08069	3.2
102.04684	0.7
102.70393	0.5
103.05453	15.5
104.06223	2.0
105.07015	100.0
106.07349	2.4
107.04939	1.2
107.08591	2.9
109.06493	2.0
109.10147	4.5
115.05445	20.3
117.07008	0.9
118.04145	9.7
118.22411	0.6
119.04933	1.0
119.08564	6.7
121.06506	1.1
121.10143	1.4
123.04419	0.7
123.08060	1.2
123.11727	0.7
128.28441	0.6
129.06985	0.8
131.04918	4.5
131.08594	1.2
132.05687	1.4
133.02852	1.3
133.06474	82.0
133.10109	8.6
134.06818	2.5
135.11659	2.4
137.05928	0.9
137.09561	2.8
143.04897	1.4
143.06030	5.9
147.04395	0.9
147.11700	3.7
149.05968	1.3
149.09644	0.7
151.11136	1.4
157.09930	0.7
160.05177	1.3
161.05959	92.0
162.06320	2.0
165.05455	1.0
165.09149	0.7
175.07498	0.9
175.11176	1.3
175.14821	4.0
178.02692	1.0
178.06209	2.1
193.04980	4.1
193.08588	30.6
193.12126	2.8
193.15935	5.9
193.17632	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0858
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.02377	0.7
51.73069	0.4
53.03935	1.7
55.01867	4.4
55.05501	3.6
57.03428	1.7
57.07056	1.5
65.03919	1.2
66.04718	0.9
67.05499	7.1
69.03425	1.8
69.07073	3.3
69.41291	5.4
71.04988	0.8
79.05485	15.6
80.05878	0.5
81.03412	4.3
81.07053	8.5
83.04955	2.6
83.08621	1.5
85.06527	1.9
89.03871	0.6
90.04696	1.0
91.05470	12.1
92.02642	0.9
93.07034	5.5
94.64179	0.5
95.04956	6.6
95.08601	8.1
97.02868	0.7
97.06538	0.8
98.20639	1.0
99.08096	2.9
102.04607	0.5
103.05460	15.6
103.83026	0.5
104.06253	2.0
105.07020	100.0
106.07352	1.9
107.04950	1.9
107.08595	6.1
109.06524	3.1
109.10159	8.2
111.08029	1.1
115.05445	21.2
116.05705	0.6
117.07025	0.6
118.04147	13.3
119.04900	1.6
119.08571	14.6
121.06492	1.2
121.10143	2.8
122.03644	0.7
123.04396	1.5
123.08074	2.6
123.11684	2.0
129.06987	1.2
131.04907	4.3
131.08569	1.3
131.73492	0.5
132.05699	2.0
133.02823	2.2
133.06477	84.0
133.10107	14.9
134.06868	1.6
135.08026	1.8
135.11688	6.5
137.05940	2.0
137.09578	4.6
143.04898	1.6
143.06033	5.7
145.06403	0.8
145.10101	1.1
146.28348	0.6
147.04362	1.9
147.08049	2.0
147.11671	6.1
149.02338	0.8
149.05920	1.8
149.09596	0.8
149.13196	1.7
151.03873	0.6
151.07495	0.8
151.11172	2.0
157.06508	0.6
157.10109	1.2
160.05232	1.2
160.12572	0.5
161.05965	77.8
162.06329	2.3
165.05479	1.7
165.09109	1.2
165.12787	0.7
175.03865	0.8
175.07527	1.9
175.11232	2.9
175.14812	12.8
178.02597	2.2
178.06252	1.2
193.04955	9.1
193.08588	38.6
193.12144	4.6
193.15901	9.4
194.15419	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1381
Annotation	N-Ethyl-N-Methylcathinone
Peak:m/z	Relative Intensity
53.03941	0.2
55.01865	0.3
56.96558	0.4
59.06117	0.2
60.04539	0.2
61.34406	0.2
65.03927	0.3
67.05496	0.5
69.03422	0.3
70.06570	0.2
70.42547	0.2
71.69672	0.2
71.70028	0.2
72.93766	0.3
79.05485	0.8
80.04999	0.3
81.03402	0.3
81.07061	0.3
83.04988	0.2
84.08235	0.2
90.94822	0.3
91.05468	1.3
93.07039	0.5
94.06564	0.2
95.04971	0.5
95.08620	0.3
103.05457	0.5
105.03384	0.3
105.07019	1.9
106.06547	0.7
106.07240	0.2
107.04941	0.3
108.08144	0.2
108.08906	0.3
109.06506	0.4
109.07560	0.2
115.05459	0.4
117.05792	0.2
118.06529	0.5
119.04916	0.4
119.08540	0.5
120.08073	0.4
121.06476	0.4
121.10104	0.2
123.07938	0.2
132.04416	0.3
132.08031	1.4
132.08920	0.3
132.95793	0.5
133.02856	0.4
133.06506	1.5
133.08859	3.4
133.10059	0.3
134.10448	0.3
134.99631	0.4
135.07968	0.2
136.07510	0.3
136.08450	0.2
137.05995	0.4
137.09436	0.2
146.05983	2.0
146.09612	0.3
147.04387	0.7
147.06863	0.2
147.08046	0.4
147.11708	0.2
148.11186	26.7
149.02309	0.2
149.05904	0.3
149.08327	0.2
149.11514	0.6
150.10091	0.2
150.96873	2.0
160.05042	0.9
161.05937	1.3
161.11996	0.2
164.03355	0.2
164.07010	0.4
165.05406	0.3
174.05414	1.0
174.12798	0.8
175.03873	0.6
176.10709	0.5
177.07797	0.3
177.11530	0.7
178.02615	0.3
181.58249	0.2
189.05069	0.3
189.54953	0.2
191.97079	0.2
192.06549	1.7
192.13805	100.0
192.17302	2.2
193.04932	1.9
193.08575	0.7
193.12357	0.4
193.14133	2.2
193.86710	0.2
214.03796	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	192.1016
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
52.64652	0.3
53.03945	0.7
53.71517	0.3
54.73779	0.4
55.01864	10.1
55.05481	0.4
56.05021	2.4
56.96554	0.6
59.06106	0.4
60.04515	6.3
65.03937	0.5
66.04716	0.5
67.05485	0.6
69.03414	0.8
70.02928	0.4
70.06575	2.3
70.58714	0.3
70.95844	0.4
71.25959	0.7
72.93767	0.6
79.05485	5.4
80.05006	0.9
81.03410	0.8
82.06566	1.1
90.94814	0.6
91.05465	4.6
93.05785	0.5
93.07027	3.2
94.04185	0.5
94.06567	1.6
95.04950	2.2
95.08611	0.9
96.04469	0.5
98.06037	0.5
98.97578	0.5
103.05447	5.2
105.03384	0.4
105.07014	27.2
106.06554	2.8
106.07249	0.5
107.04936	1.0
107.08588	0.5
108.04429	0.5
108.08115	1.0
109.02879	0.4
109.06521	0.8
110.97509	0.4
115.05445	10.8
116.98615	0.6
117.05739	1.8
118.04186	0.6
118.06574	0.8
119.04938	1.3
119.08560	0.5
120.08027	0.9
121.06494	11.1
121.52432	0.3
122.06015	0.6
122.09650	2.5
123.04433	0.5
123.08044	0.6
130.06512	0.6
131.04904	11.6
132.05708	2.1
132.08069	5.9
132.95827	1.7
133.06468	100.0
134.06822	1.9
134.09598	0.5
137.05946	0.8
146.05972	1.2
146.09624	0.9
147.04414	0.6
147.08000	0.4
147.10405	0.6
148.07555	12.7
149.05966	0.6
150.09117	15.7
150.96869	4.3
151.07564	0.4
151.09508	0.7
160.05008	1.3
161.05963	0.6
162.09042	0.9
164.07050	0.7
164.10709	1.5
165.05399	0.6
167.97185	0.5
169.95415	0.4
174.05490	1.0
174.09113	2.0
175.03882	0.7
175.09856	0.4
176.07033	0.7
177.07819	0.6
191.97092	0.6
192.06519	1.8
192.10162	34.1
192.13820	1.2
192.17461	1.7
193.04912	1.8
193.08614	0.6
193.10594	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1791
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03930	1.9
55.05500	22.1
56.81715	1.4
57.07059	4.7
58.24709	1.6
59.62469	2.0
66.47452	1.4
67.05495	19.9
69.03423	3.3
69.06691	3.0
69.07059	51.0
69.38325	6.8
69.38750	13.7
79.05492	19.1
79.95808	1.7
81.07046	25.7
83.04944	2.9
83.08607	17.6
91.05461	13.7
93.07027	61.3
95.04950	3.8
95.08592	88.5
97.06500	2.1
97.10149	9.8
103.05460	2.5
105.04530	2.4
105.07014	11.7
105.99122	1.7
107.04926	2.1
107.08578	73.5
109.06496	4.7
109.10137	50.6
111.11675	1.9
115.05426	2.2
117.06982	3.7
119.08517	9.9
121.02796	1.6
121.10126	100.0
122.10427	2.8
123.08055	2.6
123.11694	8.0
126.15998	1.6
130.07779	1.7
131.08560	9.8
133.10121	8.7
135.08023	8.0
135.10646	4.1
135.11670	80.3
145.06406	2.0
145.10077	5.1
147.11684	4.4
149.09676	2.1
149.13239	23.5
158.10869	1.8
160.05046	2.7
163.11214	2.7
163.14819	3.0
173.05965	1.7
173.09564	3.0
173.13202	9.4
174.22911	1.6
179.74840	1.6
180.83163	1.7
191.03355	4.3
191.07022	5.1
191.10649	4.6
191.14305	25.7
191.17915	99.4
192.06401	1.8
192.10211	2.4
192.18347	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1791
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
50.48665	1.0
52.79249	1.1
53.03921	2.1
54.98295	1.1
55.05503	13.8
57.07058	2.6
67.05505	16.1
69.07058	37.8
69.38413	13.6
79.05476	16.8
79.60626	1.2
81.07034	14.5
83.08611	11.5
91.05485	7.9
91.39597	1.3
93.07030	55.2
94.07354	2.1
95.04952	3.5
95.08593	74.8
96.08903	1.4
97.10131	8.3
98.21465	2.4
100.45979	1.3
105.07017	6.9
107.08577	52.8
109.06501	1.4
109.10139	36.6
110.10477	1.1
111.11695	1.7
113.40680	1.1
117.06969	1.6
119.08556	3.8
121.06462	1.4
121.10127	73.7
122.10473	1.8
123.11668	6.4
131.08542	2.2
133.10117	2.9
135.08032	1.5
135.11670	57.0
145.10052	1.8
147.11623	1.6
149.13228	15.3
149.14316	2.0
149.32651	1.1
163.14894	3.2
173.13237	3.2
191.10721	1.3
191.14307	9.7
191.17921	100.0
192.10233	2.3
192.18245	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	191.1791
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03923	1.3
55.05238	1.0
55.05504	16.7
57.05550	0.7
57.07067	3.8
64.75899	0.6
67.05491	15.6
69.03419	0.7
69.07058	38.9
69.81802	3.6
69.82211	1.5
71.08604	0.8
79.05479	15.1
81.07044	18.6
83.04976	0.8
83.08603	14.6
91.05461	9.3
92.53271	0.8
93.07030	52.4
95.04948	1.7
95.08591	76.7
96.08956	1.1
97.10150	9.2
105.07018	7.8
107.04957	0.9
107.08577	58.1
108.08944	0.8
109.06483	2.1
109.10142	37.7
110.10452	0.8
111.11709	2.2
119.08553	3.8
121.10126	80.2
122.10474	1.8
123.08065	0.9
123.11700	8.8
124.77444	0.8
131.08548	2.8
133.06361	0.7
133.10098	3.3
135.08060	2.0
135.11671	61.4
136.11986	1.2
143.08641	0.8
145.10104	1.5
147.11655	1.9
149.13234	15.7
162.14012	0.7
163.14786	1.9
165.29982	0.7
173.13199	3.3
184.55188	0.6
191.06934	1.2
191.10677	2.3
191.14325	7.4
191.17920	100.0
192.06546	1.0
192.10060	0.9
192.18333	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01851	3.0
55.05504	4.7
57.03410	1.1
57.07055	2.4
63.25125	1.0
67.05486	4.3
69.03418	9.0
69.07056	16.2
69.90402	0.9
71.04984	1.6
71.14932	1.2
71.15253	1.5
79.05488	10.2
81.07047	10.4
83.04962	3.0
83.08614	2.1
85.06516	1.6
87.21685	1.0
91.05465	9.7
93.07037	17.6
95.04933	4.6
95.08588	11.2
97.06511	2.1
103.05453	2.8
105.07004	10.8
107.04934	2.8
107.08582	24.4
109.06504	2.6
109.10135	8.3
117.06963	3.9
118.04192	1.1
119.08556	9.2
121.06485	14.6
121.10127	17.3
123.08020	5.3
129.06985	1.6
130.07770	1.4
131.04880	1.8
131.08537	11.8
133.06493	1.5
133.10104	39.9
134.10451	1.3
135.08057	10.9
135.11665	10.4
137.09613	6.5
143.08551	2.2
144.09311	1.7
145.10101	9.2
147.08105	1.1
147.11665	21.8
148.05200	1.3
149.09607	5.0
149.13231	12.5
158.10896	5.4
161.09550	5.1
163.07503	1.5
163.11134	1.2
163.14795	3.0
173.13231	19.5
173.14603	1.6
176.11902	2.3
190.32855	1.0
191.07030	2.9
191.10625	3.2
191.14287	100.0
191.17789	5.1
192.14639	2.3
201.15222	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01836	1.0
55.05508	6.5
57.03429	1.2
57.07067	1.8
66.46583	0.9
67.05494	5.2
69.03424	22.3
69.07059	6.0
69.77980	6.6
71.04972	1.3
77.03912	1.0
77.19326	0.9
79.05486	15.6
79.27977	0.9
81.07045	14.3
82.95398	0.9
83.04967	5.3
83.08601	2.2
85.06516	0.9
91.05470	12.9
93.07039	11.3
95.04962	3.1
95.08580	8.1
97.06496	1.6
98.21396	2.1
98.28086	1.0
100.76583	1.0
103.05444	1.6
105.07021	20.6
107.04920	5.7
107.08577	33.8
109.06492	3.3
109.10144	10.6
115.05425	1.4
116.06172	1.2
117.06992	3.4
118.07793	1.4
119.08583	10.3
121.06478	6.1
121.10130	23.2
122.07275	1.7
123.08037	2.8
129.06995	2.2
131.08548	14.1
133.10114	100.0
134.10361	2.1
135.08018	9.5
135.11688	5.7
137.09601	13.1
143.08554	4.0
144.09352	1.1
145.10114	8.0
147.11694	5.9
149.09583	5.9
149.13246	15.1
158.10895	9.1
163.13390	0.9
163.14807	4.1
173.13240	31.0
174.13544	1.4
178.24010	1.0
181.02567	1.0
191.14290	44.4
200.59659	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1426
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03929	1.1
54.48104	1.1
55.01852	1.4
55.05504	6.0
57.07054	1.7
59.55855	1.0
65.03905	1.4
67.05493	13.2
68.60632	1.0
69.03420	12.3
69.06735	1.3
69.07056	14.0
70.00237	6.8
79.05486	10.4
81.07042	16.1
83.04970	8.9
83.08604	4.8
85.06540	1.3
91.05454	11.6
93.07028	15.4
93.46213	1.0
95.04945	14.1
95.08588	20.6
97.06516	8.7
100.67729	1.0
103.05450	1.5
105.07015	15.6
107.04935	3.1
107.08569	43.1
109.06499	8.2
109.10120	2.2
111.08044	2.6
117.07005	3.1
119.08573	9.9
121.05706	2.0
121.06490	22.4
121.10125	37.7
123.08033	5.3
129.06993	2.3
131.08545	15.8
133.06454	1.6
133.10098	15.8
135.08034	18.4
135.11664	10.9
137.09520	1.2
143.08527	2.8
145.10083	9.3
147.08041	2.2
147.11652	18.3
148.08818	5.8
149.09590	15.6
149.13229	14.9
158.10928	7.9
161.09590	1.5
162.10362	1.3
163.11076	1.5
163.14804	9.9
168.94867	1.1
173.13232	24.7
176.11867	1.6
191.06497	1.6
191.14278	100.0
192.14662	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01863	0.9
55.05503	2.9
57.07057	0.5
58.51519	0.4
59.04983	0.7
65.03946	0.5
67.05482	1.7
69.03410	6.3
69.07058	4.1
69.52189	3.7
71.04969	0.6
78.64330	0.4
79.05477	4.2
80.57629	0.5
81.07035	3.6
83.04966	6.9
83.08575	1.1
84.05280	0.5
85.06482	0.5
91.05466	4.1
91.97571	0.4
93.07034	5.3
95.04943	1.9
95.08587	3.6
97.05927	0.3
97.06501	2.2
98.20699	0.8
103.05428	0.5
105.07008	5.6
107.04925	1.6
107.08574	10.6
109.06491	1.4
109.10151	2.0
111.08024	0.8
112.72496	0.4
115.05409	0.5
117.06991	1.8
119.08556	3.3
121.06483	6.9
121.10120	8.9
123.08041	1.0
129.06984	1.4
131.08548	8.3
133.06491	0.5
133.10112	7.9
135.08018	9.2
135.11632	1.5
143.08498	1.7
144.09326	1.3
145.10110	6.8
147.08037	5.0
147.11688	3.9
148.08768	0.8
149.09596	4.2
149.13219	3.4
158.10919	2.5
161.09610	1.0
162.10400	2.1
163.11226	0.9
163.14828	1.2
173.13243	8.6
176.11977	0.6
191.14278	100.0
192.14647	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.36496	0.8
53.03938	1.0
55.05503	5.7
57.03436	2.2
57.07055	1.8
57.47305	0.8
59.04980	1.4
65.03919	1.3
67.05507	7.4
69.03415	5.0
69.07058	8.4
71.04972	3.3
71.31808	1.7
79.05474	9.8
81.07041	10.1
82.66689	0.9
83.04961	2.9
83.08607	4.5
85.06535	3.4
86.33149	0.9
91.04920	1.4
91.05469	21.2
93.07034	16.9
95.04938	3.6
95.08599	11.0
97.06538	8.7
98.84358	0.8
103.05473	1.6
105.07015	39.4
105.07723	1.9
107.04922	1.3
107.08579	29.9
109.06489	5.2
109.10136	8.9
111.08021	1.3
115.05435	1.2
116.06219	1.4
117.07018	7.8
119.08569	17.6
121.06475	4.8
121.10127	20.7
123.08058	6.0
123.11707	2.1
129.06996	4.5
130.07787	1.9
131.08551	44.1
133.06450	1.6
133.10112	100.0
134.10504	1.7
135.08029	14.9
135.11662	4.9
143.08528	10.1
144.09323	3.8
145.10106	23.7
147.11659	12.1
148.08804	1.1
149.09608	7.2
149.13229	20.4
156.09319	1.2
158.10905	12.7
161.09633	1.3
163.11171	2.0
163.14833	2.6
171.11697	1.4
173.13237	59.3
174.13574	1.9
176.11984	1.5
191.07080	1.0
191.14293	61.8
191.17958	3.7
192.14687	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1426
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.54391	1.1
53.03916	1.3
55.05503	5.3
56.91648	1.0
57.07043	1.2
63.64399	1.0
67.05498	14.0
68.95263	1.0
69.03407	3.8
69.07054	12.1
70.83537	1.8
70.83884	2.1
71.04982	7.2
79.05478	13.8
81.07038	14.5
81.35188	0.9
83.04935	2.2
83.08591	4.1
85.06503	3.6
87.68362	1.1
91.05461	17.4
93.07029	19.4
95.04960	8.9
95.08582	18.9
97.06503	5.0
103.05438	3.1
105.07011	22.7
107.04937	2.5
107.08573	41.9
109.06496	14.5
109.10133	41.4
111.08038	2.5
115.05427	2.3
116.06167	1.2
117.07000	7.2
119.06064	1.5
119.08560	13.0
121.06483	11.8
121.09258	1.5
121.10121	25.5
123.08044	6.8
126.60581	1.0
129.06946	3.3
131.04962	1.6
131.08546	38.2
133.10109	20.5
135.08025	44.0
135.11661	10.2
143.08510	6.9
144.09293	2.5
145.10074	14.5
147.07951	2.0
147.11662	9.0
148.05211	1.2
148.08804	3.4
149.09581	9.7
149.13225	8.6
150.10315	2.4
156.09329	1.4
158.10857	7.8
161.09564	3.3
161.13220	4.1
162.10442	1.3
163.07559	2.2
163.11189	2.4
163.14778	12.1
168.84908	1.0
173.13239	37.7
174.13513	1.4
175.61116	1.1
176.04715	1.2
176.11974	8.3
182.62531	1.1
191.07025	2.8
191.10612	3.9
191.14279	100.0
191.17877	11.5
192.14615	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	191.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.0
55.01837	1.5
55.05496	6.2
55.77392	0.8
57.07052	2.8
57.47633	0.9
65.03932	2.0
67.05482	8.1
69.03415	22.6
69.07047	11.6
69.97151	2.4
69.97556	4.6
71.04962	2.7
73.76068	1.0
75.35600	0.9
79.05479	12.9
81.07040	14.1
83.04960	7.4
83.08577	3.2
85.06505	4.5
91.05459	22.3
91.31228	1.0
93.07019	13.9
95.04920	4.6
95.08582	18.5
97.06499	4.3
103.05425	3.9
105.07015	25.5
107.04906	2.6
107.08567	31.1
109.06497	13.7
109.10123	3.8
111.08042	3.9
115.05418	2.3
116.06199	3.4
117.07004	8.1
119.08559	20.5
121.06499	6.8
121.10118	26.1
123.08040	6.6
128.06195	1.6
129.06972	7.8
130.07768	2.3
131.04872	2.4
131.08536	31.4
133.06487	1.1
133.09158	1.9
133.10100	21.5
135.08037	25.2
135.09053	1.8
135.11661	6.7
137.09628	1.6
137.97537	1.0
143.08517	17.8
144.09300	5.9
145.06465	1.1
145.10086	21.4
147.07986	1.7
147.11650	10.8
149.09593	15.4
149.13226	11.9
150.10355	2.9
156.09247	1.9
157.10146	1.1
158.10880	16.7
161.09575	3.6
163.07529	3.7
163.11163	7.0
163.14771	3.6
173.13229	41.8
176.11938	3.6
191.07045	2.7
191.10609	4.6
191.14264	100.0
192.14613	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.7
54.66041	1.1
55.01855	1.7
55.05507	7.6
57.03416	2.6
57.07072	1.8
59.04979	2.0
60.24700	1.3
65.03909	1.9
67.05494	14.7
69.03417	7.7
69.07059	12.5
70.99196	4.4
71.04964	4.5
77.02762	1.1
79.05483	15.8
79.63642	1.1
81.07043	18.1
82.64310	1.1
83.04980	7.0
83.08624	5.8
85.06496	3.0
85.72922	1.4
87.27211	1.5
88.51541	1.1
91.05465	25.3
93.07024	27.6
95.04963	15.9
95.08594	21.4
97.06511	11.2
97.10146	1.7
99.08086	1.2
103.05450	8.7
105.07015	46.0
107.04937	2.8
107.08583	38.0
109.06500	6.4
109.10142	12.7
111.08050	1.9
115.05410	4.3
117.07004	11.5
118.04137	2.6
119.08563	23.9
121.06478	8.1
121.10126	26.7
123.08045	8.6
123.11686	2.2
129.06975	3.3
130.07762	2.3
131.04912	6.0
131.08551	44.1
133.10110	100.0
134.10446	1.8
135.08038	17.6
135.11658	11.5
143.08543	6.6
144.09306	3.6
145.06438	3.6
145.10097	18.5
147.07999	1.7
147.11678	13.0
148.05176	3.4
148.08775	3.1
149.05963	1.5
149.09589	11.1
149.13229	13.7
150.12677	1.5
158.10892	14.1
159.04369	1.5
163.07538	5.6
163.11134	3.9
163.14775	5.8
171.11557	1.5
173.05919	1.5
173.09599	2.7
173.13240	48.5
176.04720	2.3
176.11952	1.4
191.07065	7.9
191.08601	1.6
191.10657	6.5
191.14278	66.6
191.17914	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	190.0496
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
52.06607	0.2
67.80789	0.2
71.15015	0.6
77.18505	0.2
89.03904	1.2
106.22415	0.2
116.04966	3.4
120.04416	0.2
134.06015	0.2
144.04382	0.4
162.05473	100.0
163.05827	2.6
173.97591	0.2
190.04962	25.7
191.05292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01857	2.8
55.05505	7.5
57.03410	1.9
57.07053	2.7
65.03893	1.2
67.05492	9.8
69.03418	14.4
69.07051	11.9
69.66434	1.2
69.72765	8.9
71.04981	3.3
79.05482	14.1
81.07036	15.7
83.04974	7.6
83.08595	3.7
85.06529	3.8
91.05459	18.8
91.66774	1.2
93.07021	17.8
95.04954	11.5
95.08014	1.4
95.08598	22.2
95.66302	1.2
97.06509	7.9
98.21439	2.0
99.08110	1.7
100.07376	0.9
103.05451	5.2
105.06326	2.1
105.07012	28.3
107.04923	2.4
107.08575	37.9
109.06487	10.0
109.10143	4.4
111.08041	2.4
112.01015	1.1
115.05403	2.3
117.07004	7.8
118.82796	1.3
119.08549	17.9
120.08863	1.4
121.06487	18.5
121.09257	1.9
121.10121	30.4
123.08041	7.8
129.06961	4.7
130.07719	1.9
131.04893	2.4
131.08549	27.7
132.08803	1.1
133.06450	1.7
133.10117	28.1
135.08037	20.4
135.11653	10.5
136.08765	1.4
137.09622	2.1
143.08530	8.0
144.09232	1.8
145.06400	1.9
145.10100	18.8
147.08015	3.2
147.11684	17.5
148.05162	1.9
148.08762	3.7
149.09592	54.7
149.13226	14.9
158.10896	10.5
161.09624	3.4
163.07510	1.5
163.11165	3.9
163.14815	7.7
173.09555	2.0
173.13239	38.7
174.05449	3.7
176.12001	2.6
181.46274	1.1
186.99176	1.1
191.03346	1.5
191.06972	4.8
191.10664	4.3
191.14284	100.0
192.14610	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01857	1.1
55.05500	9.1
57.03420	1.5
57.07059	2.6
62.49502	0.8
67.05495	9.3
67.44922	0.9
69.03420	18.9
69.07055	12.9
70.28940	4.5
77.43885	0.9
79.05479	13.6
81.03384	1.7
81.07047	17.3
83.04969	9.5
83.08595	4.3
85.06530	1.9
91.05466	19.7
93.06509	1.4
93.07033	18.0
95.04940	5.3
95.08585	9.8
97.06508	2.8
103.05452	3.2
105.07014	21.5
107.04935	6.0
107.08578	38.4
109.06501	4.3
109.10139	14.5
115.05453	2.6
116.06226	1.7
117.07005	4.9
118.07712	1.5
119.08573	12.9
121.06493	9.0
121.10126	29.7
121.57145	0.9
122.07231	1.7
123.08044	5.1
123.11719	1.1
128.06160	1.1
129.06973	2.5
130.07776	1.5
131.04901	2.8
131.08548	24.5
133.10106	100.0
134.10475	1.3
135.08043	13.3
135.11682	9.5
137.09576	10.6
143.08499	6.5
144.09303	2.8
145.06496	1.5
145.10103	12.9
147.08051	1.6
147.11661	9.9
148.08873	1.0
149.09613	12.1
149.13229	18.0
158.10881	9.5
159.08044	2.4
161.09619	2.7
163.07521	2.0
163.14798	5.7
173.05835	1.0
173.09563	1.1
173.13231	29.7
176.11984	1.1
191.06960	4.1
191.10674	5.5
191.14279	63.8
191.17937	3.5
192.14703	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35314	0.1
55.05511	0.2
56.05007	0.2
56.96555	0.3
57.70837	0.1
63.55297	0.1
71.26831	0.2
71.27172	0.2
79.05500	0.3
84.04486	0.1
88.03108	0.1
89.03905	1.2
91.05480	0.4
98.33132	0.1
98.97572	0.2
101.01466	0.1
107.04957	0.2
116.04965	3.2
116.98552	0.3
117.07020	0.2
121.10049	0.2
131.08543	0.2
134.05959	0.6
144.04414	0.6
145.06450	0.1
147.04300	0.1
162.05472	100.0
163.03824	0.2
163.05847	2.4
164.05879	0.3
190.04955	31.2
191.03639	0.2
191.05302	1.1
191.06992	0.3
191.14279	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97561	0.2
54.35711	0.1
71.43644	0.2
71.43958	0.3
89.03876	1.0
91.05460	0.2
97.02918	0.2
98.36687	0.2
116.04958	3.9
121.02846	0.2
126.35351	0.2
134.06012	0.4
144.04413	0.5
162.05478	100.0
163.05838	2.6
164.05893	0.2
190.04962	28.5
191.05263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1635
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03936	1.2
55.05504	9.4
57.07047	1.8
65.03918	1.4
67.05496	9.9
69.03416	3.4
69.07061	12.8
70.12890	2.0
70.13293	1.2
79.05486	8.0
81.03416	0.9
81.07041	19.2
83.04952	1.2
83.08612	5.8
85.04782	0.8
91.05462	21.0
93.07030	12.5
95.04947	2.7
95.08592	31.0
95.09200	1.5
103.05471	1.3
105.03372	0.8
105.07015	49.4
106.07308	1.0
107.04916	0.9
107.07907	1.2
107.08582	16.6
109.06525	1.5
109.07583	0.7
109.10130	7.7
115.05440	2.7
117.06985	4.3
118.07765	1.1
119.04911	1.4
119.08562	63.6
120.08896	1.0
121.06483	2.0
121.10133	9.0
126.34982	0.7
128.06204	4.6
129.06992	4.7
130.07787	1.3
131.04895	1.0
131.08557	10.6
133.06509	3.0
133.10110	60.2
134.10423	0.9
135.08095	0.9
135.11693	1.2
141.07002	0.9
142.07774	0.9
143.08537	4.7
144.07964	0.8
145.06459	2.5
145.10100	11.7
146.07230	1.8
146.10921	3.1
147.08044	6.4
147.11668	42.3
148.08638	0.7
148.12201	1.0
156.09338	6.5
157.06413	2.0
159.08034	4.8
159.11629	4.7
160.08820	1.6
160.12422	2.1
161.05940	3.8
161.09590	6.0
161.13239	19.0
171.04379	1.1
171.08025	1.3
171.11638	7.2
174.06757	3.1
174.10381	9.2
174.14059	1.4
189.05511	3.5
189.09099	12.0
189.12726	27.2
189.16357	100.0
190.04900	1.1
190.13187	0.9
190.16641	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	189.1635
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03926	1.2
53.13469	1.0
55.05508	8.6
55.93277	1.3
57.07061	1.4
67.05498	6.7
69.03416	1.7
69.07057	13.2
71.70569	1.7
77.84489	1.0
79.05470	4.8
81.07043	12.0
83.08592	2.9
84.04421	1.5
85.04807	1.2
91.05465	13.9
93.07030	7.2
95.04919	1.2
95.08599	31.2
103.05437	1.1
105.07018	40.5
107.08573	14.3
109.10141	4.8
115.05460	2.1
117.06983	3.6
119.08566	62.1
120.08910	1.3
121.02868	1.7
121.10126	6.5
129.07025	1.1
131.08530	9.1
133.10110	56.2
135.11588	1.2
145.10118	8.9
146.10843	4.9
147.08003	2.6
147.11667	45.5
148.12160	1.3
149.02354	1.8
156.09338	2.4
159.11604	5.6
160.12479	2.5
161.05911	1.9
161.12202	1.1
161.13290	9.2
171.11655	3.5
174.14020	4.0
189.05414	3.9
189.09074	4.9
189.12715	9.0
189.16367	100.0
190.05069	1.4
190.08638	1.8
190.16705	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	189.1635
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
55.05503	7.3
57.07058	1.4
65.62412	0.8
67.05499	4.6
69.06725	1.1
69.07055	10.1
79.05471	3.4
81.07052	6.2
83.08611	4.1
91.05465	10.0
93.07040	4.8
95.08598	25.7
96.08926	0.6
96.48972	0.6
98.21564	1.4
103.05481	0.9
105.07019	33.5
106.07333	0.7
107.08582	11.5
109.10136	4.5
115.05450	1.0
117.07001	1.5
119.08568	53.3
121.10146	5.7
128.06218	1.0
130.07790	0.8
131.04897	1.7
131.08568	7.4
133.06523	0.7
133.10118	38.8
135.11623	0.9
143.08482	1.3
145.10117	7.7
146.10959	3.7
147.08116	0.9
147.11668	41.2
148.12029	1.0
159.11679	5.4
160.12451	1.4
161.13235	7.7
171.11673	1.6
174.13995	3.9
189.05479	2.2
189.09090	2.3
189.12808	4.4
189.16367	100.0
190.08502	0.9
190.16716	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1635
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
50.59291	0.9
51.44569	1.1
55.05508	8.4
59.41807	1.0
60.21291	0.9
67.05485	8.4
69.07057	11.9
71.71879	1.4
79.05486	6.6
81.07058	10.2
83.08607	3.0
91.05466	15.8
93.07021	7.0
95.04948	1.6
95.08593	36.7
105.07012	37.9
105.07728	1.9
107.08575	15.2
109.10147	6.7
109.10787	1.2
111.04431	1.0
117.07021	2.9
119.08563	67.8
120.08864	1.2
121.10145	9.6
128.06210	3.1
128.11513	1.1
131.08540	8.5
133.06534	1.1
133.10112	49.4
134.10573	1.1
143.08549	3.9
145.10115	8.6
146.10905	2.6
147.07982	2.5
147.11661	43.8
149.02347	1.5
156.09293	2.0
159.11668	4.1
160.12445	2.5
161.05998	1.2
161.09602	1.8
161.13242	9.9
171.11705	2.5
174.10301	2.5
174.14006	2.0
189.05396	3.0
189.09052	4.4
189.12721	10.7
189.16367	100.0
190.08542	1.4
190.16667	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01862	6.2
55.05503	4.4
58.62744	0.9
64.76492	0.7
65.03912	1.4
67.05494	16.4
69.03414	1.7
69.07047	9.3
70.45398	0.9
71.04984	0.9
71.31107	1.1
71.31444	0.9
79.05482	17.1
79.08472	0.7
81.07043	12.3
83.04953	2.1
83.08572	1.1
85.02818	0.8
85.06511	1.5
91.05465	88.1
93.07030	10.6
95.04945	3.4
95.08594	11.3
97.06509	3.3
103.05434	3.1
104.90926	0.7
105.07012	44.8
106.07346	2.0
107.04942	4.4
107.08576	7.5
109.06490	2.5
109.10101	1.1
111.08039	1.0
115.05429	3.9
117.07007	14.2
118.17052	0.7
119.04931	1.0
119.08558	35.5
120.08867	1.2
121.06486	3.9
121.10123	2.8
123.08043	2.2
128.06209	8.1
129.06987	34.9
130.07735	2.8
131.04887	1.4
131.08551	6.5
133.06496	2.3
133.10110	24.4
135.08032	2.5
141.07018	1.4
142.07742	1.4
143.08536	20.4
145.08966	1.6
145.10103	28.2
146.10504	0.9
147.08026	8.2
147.11670	24.8
149.02344	1.9
156.09299	3.2
159.08107	1.5
159.11659	2.9
161.05933	1.7
161.09598	3.2
161.13235	14.0
171.11668	56.2
172.12004	2.1
174.10410	1.2
189.05406	2.8
189.09099	3.7
189.12712	100.0
189.16338	20.7
190.13046	3.3
198.26231	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15089	1.7
53.03935	4.9
55.01851	3.8
55.05499	16.8
56.96535	1.7
57.03407	2.9
57.07061	2.0
58.06596	1.9
61.02917	1.7
64.09987	1.6
65.03916	2.3
67.05493	36.8
69.03409	6.7
69.07054	25.7
70.06577	7.0
70.84341	7.4
71.04965	3.5
72.08125	5.0
79.05483	47.2
79.09815	1.6
81.03389	3.6
81.07041	41.5
83.04961	6.1
83.08601	6.2
84.04493	3.5
84.08147	2.1
85.02864	2.4
85.04792	3.7
85.06541	2.1
86.09685	5.6
91.05463	36.0
93.07030	98.2
95.04958	8.9
95.08589	94.8
97.06509	4.8
103.05466	2.9
105.07017	37.2
107.04920	3.4
107.08578	100.0
109.06514	3.9
109.07642	3.3
109.10139	38.7
111.07981	2.0
115.05433	7.1
116.98570	2.1
117.06995	8.2
118.06514	2.6
119.04962	3.1
119.08554	25.6
120.08079	4.2
121.06493	2.9
121.10113	2.2
123.11691	17.4
127.78004	1.9
128.06172	13.5
129.06996	13.1
130.06499	8.3
131.04895	5.8
131.08537	14.4
132.04434	4.0
133.06471	7.5
133.10106	23.9
135.11682	47.9
141.06918	2.7
143.08546	12.5
144.08069	6.5
145.06488	4.9
145.10056	10.7
146.03616	3.3
147.08052	11.1
147.11633	15.5
148.08560	2.4
153.12773	4.8
156.09334	15.0
157.06465	5.0
159.04420	2.1
159.07988	2.8
159.11685	4.4
161.05962	10.8
161.09616	6.6
161.13246	7.4
162.05463	6.5
162.09018	2.1
162.10257	3.7
166.77716	1.9
171.08057	4.1
171.11620	15.3
172.07549	2.3
174.06731	7.4
174.10388	5.9
178.04970	9.1
189.05482	10.8
189.09082	21.4
189.10988	2.6
189.11337	1.6
189.12691	40.3
189.16339	15.6
190.04909	4.5
190.08510	2.2
193.73207	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.9
53.80499	0.5
55.01862	4.6
55.05505	4.7
56.68029	0.5
57.03422	0.6
65.03921	2.2
67.05495	16.4
69.03410	1.4
69.07062	5.7
71.04951	0.9
71.71272	1.2
77.03883	0.8
79.05479	19.9
81.06542	0.7
81.07042	14.1
83.04955	2.2
83.08593	1.1
85.06508	1.5
87.33091	0.6
91.05465	64.8
92.05785	1.0
93.03378	0.9
93.07030	12.0
95.04963	4.9
95.08591	11.6
97.06507	3.8
103.05443	2.6
105.07015	41.0
106.07332	1.1
107.04914	3.3
107.08564	5.7
109.06493	1.6
109.10140	1.3
111.08077	1.0
115.05437	3.9
117.06988	15.3
119.04921	0.8
119.08562	35.0
121.06484	3.5
121.10120	3.2
123.08073	1.4
128.06210	8.6
129.06984	37.6
130.07799	3.3
131.04906	3.4
131.08539	5.8
133.06458	2.7
133.10110	25.8
135.08043	1.9
141.06920	1.2
141.99930	0.5
142.07755	1.2
143.08545	20.8
144.08827	0.7
145.06416	0.9
145.10098	29.7
146.10429	0.7
147.08029	9.2
147.10573	1.2
147.11665	18.1
149.02359	0.7
155.06009	0.8
156.09308	4.6
159.04448	0.7
159.08000	0.8
159.11671	2.1
160.05174	1.1
161.05957	2.8
161.09595	4.1
161.13223	14.7
169.10072	1.0
171.11667	47.3
172.11971	1.9
174.06705	0.8
174.10320	1.1
174.13905	0.8
189.05481	2.9
189.09142	4.6
189.12714	100.0
189.16324	15.5
190.08562	1.1
190.13121	2.9
190.16565	1.0
191.39265	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01861	1.4
55.05492	2.9
56.05031	0.9
57.03417	1.1
67.05487	4.1
69.03421	7.2
69.07043	2.5
70.85719	2.4
71.04968	1.0
79.05480	3.1
81.07053	6.0
84.04496	0.8
85.02888	1.0
86.09686	1.0
91.05466	10.4
93.07036	6.1
95.04932	2.1
95.08586	3.4
103.05482	1.5
105.07016	20.8
107.04836	1.2
107.07944	1.0
107.08547	5.7
109.06499	1.2
109.10125	2.2
115.05431	3.8
117.07021	5.5
119.08567	26.9
120.08914	1.0
121.06424	1.3
121.10129	1.4
128.06198	8.4
129.06973	10.1
130.06683	0.7
130.07790	6.4
131.04941	1.2
131.08542	10.8
133.06480	3.5
133.10103	9.9
135.08047	1.0
135.11681	1.8
141.06958	12.2
142.07721	1.3
143.04871	1.6
143.08545	12.7
144.09325	3.0
145.06476	3.1
145.10098	23.3
146.07231	1.5
146.10857	1.5
147.08025	10.2
147.11670	18.9
148.08563	1.0
155.08533	3.4
156.09326	67.2
157.06493	2.1
157.09691	1.9
158.07115	0.9
159.08015	7.0
159.11687	18.9
160.05193	0.9
160.08818	2.4
161.06001	4.3
161.09601	3.7
161.13260	5.6
171.11668	81.0
172.12062	2.2
174.06752	3.4
174.10384	8.8
189.05411	3.3
189.09134	10.7
189.12723	100.0
190.08553	1.5
190.13031	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	189.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
55.01854	1.4
55.05488	1.8
56.05024	0.6
56.96555	12.3
57.03429	2.2
58.06605	0.6
58.57054	0.5
59.04983	0.5
60.04507	0.9
60.08142	1.2
60.78224	0.4
61.02906	1.6
65.03902	0.5
67.05479	1.2
69.03429	4.1
69.07056	1.1
70.06570	1.9
71.01337	0.6
71.04987	1.2
71.70160	1.0
72.08143	4.3
73.02901	1.9
73.06543	1.1
74.06069	0.8
74.97618	0.6
79.05470	1.5
81.03391	1.3
81.07031	0.5
83.04965	1.2
83.06149	0.4
84.04491	1.8
84.08131	6.3
84.71089	0.4
84.96028	1.0
85.02887	4.8
85.04833	0.7
86.06053	0.7
86.09692	100.0
87.04454	1.6
87.10025	1.5
90.01552	0.7
91.02344	0.6
91.05476	2.0
93.07031	0.6
95.08598	0.6
97.02879	4.2
98.97569	7.4
99.04448	1.0
101.02377	1.3
102.09265	0.4
103.02375	0.5
103.05486	0.7
105.02058	0.5
105.07012	4.1
106.05434	0.4
107.04939	1.0
107.08614	0.6
110.01270	1.1
110.97549	0.8
111.00848	0.7
111.04432	0.8
111.06356	0.5
114.63435	0.4
115.03923	1.7
115.05453	1.3
116.03057	0.5
116.76387	0.5
116.98605	6.9
117.06959	0.9
119.00143	0.9
119.01797	1.7
119.04920	0.8
119.08526	2.1
124.18410	0.4
127.03920	1.1
128.02293	2.4
128.06221	1.5
128.98598	1.3
129.01814	0.6
129.06941	0.5
129.10159	0.6
130.07774	0.6
130.08614	3.1
131.04837	0.8
131.08586	0.8
131.99632	0.8
133.03433	0.6
133.06482	1.5
133.10126	1.9
134.05963	0.5
134.07031	0.5
134.99637	7.2
137.02838	0.9
139.00322	0.4
140.02365	0.5
143.00156	0.8
143.08508	2.1
144.08179	0.5
144.13803	0.6
145.01703	2.1
145.06433	0.9
145.10123	1.5
146.07263	0.6
146.99654	2.4
147.03250	1.5
147.04344	0.6
147.07985	1.1
147.11717	1.5
149.01263	0.7
149.09473	0.5
150.00742	1.0
153.00691	1.2
154.03851	5.4
155.04626	1.1
156.09331	1.5
157.01340	1.2
158.99648	0.8
159.03148	0.5
161.01248	0.9
161.04730	0.9
161.05969	1.9
161.09653	1.3
161.13243	0.6
162.05460	4.9
162.09151	1.2
163.02780	5.1
163.04399	3.8
164.98433	0.7
165.00717	0.7
165.04318	1.4
165.54636	0.8
166.00282	0.8
171.04355	0.5
171.11667	1.9
175.02492	0.6
177.00739	1.3
177.04143	3.7
177.54326	0.5
181.03839	1.1
186.04393	1.0
189.05502	3.2
189.09085	1.5
189.12630	3.9
189.16216	1.5
190.05003	1.5
190.08670	1.4
191.02318	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1117
Annotation	3-(2'-Hydroxyethyl)-5-(2''-hydroxypropyl)-dihydrofuran-2(3H)-one
Peak:m/z	Relative Intensity
53.03930	3.2
55.01866	5.7
55.05501	29.1
57.03429	53.1
57.07068	70.2
61.02901	13.7
67.05481	12.4
69.03426	20.9
69.07063	28.3
71.01332	5.2
71.04971	6.5
71.72005	3.7
73.02891	13.5
77.55794	3.1
78.35172	2.9
79.05478	27.3
81.07040	50.6
83.04967	14.3
83.08595	10.3
85.02902	17.1
85.06533	38.0
89.67244	2.8
91.05457	15.3
93.07034	20.7
95.04959	6.2
95.08575	20.7
99.08040	4.4
105.07028	19.1
107.08551	9.8
109.06480	9.0
111.04424	7.3
111.08059	16.0
115.05412	3.4
117.07011	4.2
119.08572	20.9
125.09595	6.2
127.07536	100.0
128.06158	4.2
129.06990	4.1
129.09071	3.9
133.10118	15.8
135.07939	3.1
141.09111	5.5
143.08565	4.6
145.10129	4.7
147.11650	10.6
149.02307	5.0
153.09120	20.7
156.09247	5.1
161.05988	3.6
161.13251	4.4
171.10197	5.3
171.11664	6.6
189.05437	4.5
189.09094	5.2
189.12628	18.2
189.16286	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1478
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03929	2.8
55.05495	3.3
57.07057	2.9
61.02926	1.0
67.05493	5.4
69.03403	3.2
69.07062	9.6
71.69925	1.2
71.70349	1.3
79.05484	11.3
81.03397	3.8
81.07043	13.3
83.08592	1.2
84.04498	13.3
85.02895	4.1
87.04476	1.0
88.02185	5.2
91.05468	34.0
93.07033	12.3
95.04960	1.7
95.08597	10.8
97.02852	0.8
103.05432	3.9
105.03369	1.3
105.07018	28.2
107.08594	8.5
109.02847	1.4
111.04469	1.0
115.05431	24.1
116.06289	5.5
117.07001	36.8
118.03686	1.1
118.07344	1.3
119.08558	22.1
126.05547	0.8
128.06180	3.5
129.06982	11.2
130.07796	8.7
131.04913	22.3
131.08548	100.0
132.05247	1.4
132.08829	1.4
133.10106	6.3
141.06944	3.4
142.07741	1.7
143.04889	8.6
143.08546	13.4
144.05690	3.1
144.09314	8.2
145.10106	98.7
146.10550	1.7
147.11661	1.2
154.07748	1.1
157.10071	10.2
158.07256	1.1
158.10904	6.5
159.04390	3.2
159.06873	1.7
159.08029	6.6
159.11670	30.7
160.12045	1.7
169.10095	1.6
172.05170	1.7
172.08786	1.0
172.12428	5.9
173.00768	1.7
185.13264	1.6
187.03885	46.1
187.07483	14.7
187.11205	12.5
187.14792	77.2
187.22485	10.9
188.04214	2.9
188.09247	1.7
188.15167	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0703
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
66.20462	0.5
69.89652	2.6
69.90060	0.9
82.90137	0.5
85.70226	0.5
91.05464	5.1
103.05444	0.6
115.05438	8.1
117.05750	1.6
117.07002	6.5
118.06522	85.7
119.06844	1.9
132.08086	1.2
137.80531	0.5
142.06506	8.3
143.07281	14.5
144.04434	1.1
144.08061	25.3
145.06430	1.1
145.08386	1.1
146.05981	100.0
147.06300	2.0
155.06049	0.9
160.07553	1.2
170.05978	8.2
188.05376	1.0
188.07034	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0543
Annotation	2-Methoxy-1,4-naphthoquinone
Peak:m/z	Relative Intensity
52.91393	0.3
55.05493	0.4
57.89303	0.3
62.13253	0.3
67.05481	0.9
69.07053	0.9
70.02535	0.6
70.02947	1.6
77.03917	0.4
79.05476	0.7
81.07047	1.7
83.08582	0.4
91.05468	2.5
93.07023	0.9
95.08594	2.7
98.20769	0.4
102.10860	0.3
103.05455	8.6
105.07013	5.6
107.08574	1.0
109.10125	0.7
113.03866	0.4
115.05441	0.5
116.59550	0.3
117.07003	0.7
119.04933	0.6
119.08566	7.0
119.09397	0.5
121.10094	0.8
128.06192	0.7
129.07013	0.7
131.04904	100.0
132.05249	2.4
133.06465	2.2
133.10107	5.2
141.03320	2.2
143.08521	1.0
145.02791	0.3
145.10103	1.1
147.04356	1.5
147.08006	1.4
147.11662	4.2
156.09302	0.6
159.04391	37.1
159.08025	0.8
159.11745	0.4
160.04877	1.2
160.08884	0.5
161.05959	7.5
161.09570	0.6
161.13252	1.3
171.11662	1.4
174.10378	1.2
174.14061	0.4
177.05444	1.2
189.05438	66.9
189.12700	5.5
189.16333	8.1
190.05878	2.0
199.04987	4.6
200.06978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	3.2
55.05511	13.3
57.03428	5.6
57.07058	7.4
59.06121	2.1
65.09982	2.2
67.05141	3.8
67.05494	71.2
69.03413	7.7
69.07059	11.1
71.04980	80.1
71.36784	6.2
72.08133	10.1
79.05480	21.5
81.03395	8.2
81.07044	56.5
82.06567	2.6
83.04967	14.4
83.08598	5.4
84.04489	22.4
85.02879	6.6
85.06530	100.0
88.02173	5.9
91.05472	52.7
93.07038	20.3
95.04944	5.8
95.08581	9.0
97.06513	4.1
98.32574	2.5
103.05450	2.7
105.07008	55.1
106.07365	3.2
107.08584	43.3
109.02872	3.0
109.06499	9.0
109.10136	64.8
110.10469	2.4
115.05430	32.7
117.06980	7.8
117.17426	2.1
119.01820	2.1
119.08562	9.4
123.07963	3.2
123.11679	13.3
127.03921	3.4
128.06146	5.5
129.06993	13.4
130.07706	2.6
131.04912	46.4
131.08528	17.4
133.10106	74.4
141.06999	6.2
142.08632	3.2
143.04897	16.1
143.08522	4.3
144.05713	18.0
144.09300	5.7
145.06470	2.9
145.10088	10.3
151.11166	40.2
157.10107	3.0
159.04411	2.9
159.08022	13.8
159.11685	13.1
169.10281	2.4
169.12184	13.6
172.05121	13.5
172.08792	7.1
187.03876	92.2
187.07497	43.2
187.11165	48.9
187.12979	4.4
187.14790	9.3
188.04225	6.4
188.11514	3.0
203.01495	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	187.1478
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03956	0.8
57.07070	2.2
67.05479	1.7
69.03416	0.8
69.07053	1.6
69.67971	5.0
69.68301	1.1
79.05479	2.9
81.03371	1.0
81.07052	4.9
81.30107	0.6
84.04491	2.4
91.05469	10.1
93.07050	4.0
95.08585	5.1
103.05447	1.6
105.07014	13.0
107.08583	2.5
109.33923	0.7
115.05438	3.7
116.06213	2.0
117.06995	10.1
119.08563	32.8
120.08871	1.0
128.06215	2.3
129.07002	3.9
130.07782	7.1
131.04904	4.2
131.08546	23.0
132.09003	0.6
133.10097	3.0
141.07100	0.8
142.07721	1.0
143.04892	1.9
143.08528	12.3
144.05669	1.7
144.09331	4.4
145.10100	100.0
146.05984	1.4
146.10416	3.5
157.10089	10.3
158.10905	10.0
159.04385	0.8
159.08023	2.2
159.11676	16.7
169.10034	0.7
170.10852	1.0
171.11548	1.0
172.05179	0.9
172.08772	1.2
172.12454	9.5
187.03899	8.2
187.07481	5.2
187.11255	5.0
187.14792	78.8
188.15091	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	187.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.3
55.05505	11.7
57.07055	3.7
67.05492	18.2
69.03380	3.5
69.07052	7.3
70.37265	9.9
71.04967	4.3
79.05467	7.4
81.03380	4.7
81.07043	74.1
83.08584	3.2
84.04485	20.1
85.02897	4.7
85.06501	4.9
88.02204	3.2
91.05466	12.1
92.92816	2.5
93.07013	10.3
95.04938	8.4
95.08584	17.3
97.10146	7.0
103.05460	5.1
105.07021	13.1
107.08555	6.1
115.05419	22.4
116.06190	6.5
117.07004	9.2
119.08555	8.4
123.11691	26.1
128.06190	5.7
129.06961	10.4
130.07770	5.8
131.04919	24.5
131.08543	23.0
133.10042	5.6
141.06934	4.9
143.04880	8.6
143.08548	8.7
144.05695	39.3
144.09296	4.5
144.38731	2.2
145.06360	5.1
145.10109	52.7
149.68198	2.2
157.10118	10.2
158.10852	4.0
159.04317	5.7
159.08051	16.3
159.11655	18.6
169.10043	2.9
172.05151	37.2
172.12465	8.7
187.03889	48.5
187.05725	5.0
187.07509	100.0
187.11134	19.2
187.12625	2.6
187.13058	3.2
187.14778	48.2
188.04158	3.1
188.07886	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	187.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.1
55.01849	2.0
55.05503	6.3
56.05007	1.6
57.03406	4.1
57.07050	2.3
59.04974	1.9
59.06112	1.2
60.04510	1.4
61.02895	1.9
62.71148	1.1
67.05493	33.0
68.92500	1.2
69.03413	8.5
69.07066	9.5
69.36883	12.5
71.04980	37.5
71.05374	2.2
72.08140	1.8
73.06538	1.1
79.05482	12.5
81.03401	6.4
81.07044	39.1
82.06560	1.4
83.04983	5.8
83.08585	2.8
84.04497	24.2
85.02898	6.3
85.06528	45.8
87.04462	2.1
88.02193	7.2
91.05461	26.9
93.07032	12.9
95.04943	3.0
95.08573	8.0
97.02857	2.1
97.06493	4.7
99.04436	4.3
99.08074	1.4
103.05429	4.1
105.03387	1.8
105.07017	29.5
107.08576	20.8
107.98207	1.1
109.02850	1.7
109.06491	2.8
109.10134	29.0
115.05423	31.6
116.06248	2.7
117.06994	8.5
118.06543	2.4
119.08548	6.8
121.10152	1.3
123.08001	1.8
123.11684	7.7
127.03904	2.4
127.07540	1.8
128.06204	4.0
128.07062	1.6
129.07030	6.3
130.07742	2.7
131.04909	42.1
131.05891	2.2
131.08549	23.6
132.05223	2.5
133.10106	36.0
134.10455	1.3
141.06908	5.8
142.91925	1.4
143.04893	18.2
143.08531	5.6
144.05714	5.9
144.09311	5.1
145.06421	4.8
145.10094	36.6
151.11143	19.5
154.07698	1.8
157.10092	3.5
158.07237	2.2
158.10844	2.7
159.04393	5.7
159.06996	1.8
159.08061	12.0
159.11659	17.8
169.06490	1.5
169.10080	2.7
169.12225	6.7
170.05956	1.2
172.05128	3.6
172.08789	4.1
172.12497	3.0
173.00812	1.5
187.03873	100.0
187.07451	20.0
187.11148	23.0
187.12848	2.1
187.14780	31.3
188.04199	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	185.1534
Annotation	Chokol G
Peak:m/z	Relative Intensity
51.10282	1.4
52.83254	1.3
53.03939	2.2
53.76003	1.2
55.01862	11.3
55.05502	16.1
56.05029	2.1
57.03429	35.7
57.07060	5.2
59.04985	2.1
67.05495	35.5
67.87834	1.4
69.03412	5.9
69.07060	16.5
69.82610	3.2
69.83022	5.8
70.06602	1.5
71.04993	11.9
72.08125	1.6
76.33879	1.3
79.05479	23.0
81.03402	1.8
81.07047	37.9
82.07394	1.5
83.04967	3.7
83.08614	11.0
85.02893	6.0
85.06538	32.7
86.09669	2.3
89.03896	8.3
91.05450	8.9
93.07029	53.9
94.07350	1.5
95.04937	5.1
95.08590	88.7
96.08931	3.1
97.06516	100.0
97.10143	3.1
99.08053	1.4
103.05441	1.8
105.07004	8.2
107.08581	40.1
109.10154	10.5
111.04430	3.4
111.08066	9.4
113.09607	2.7
114.05518	5.8
115.05466	2.6
117.03364	12.5
117.07027	2.1
119.08560	2.4
121.06477	1.8
121.10139	25.9
123.11687	14.5
125.06005	3.9
125.09589	3.2
126.05512	4.8
127.03930	2.2
128.06192	11.4
129.07021	14.8
135.04362	2.0
137.13127	2.2
138.05574	1.6
139.01886	1.5
139.07468	1.8
139.11169	3.4
140.07057	2.0
141.06995	6.5
142.07747	19.4
143.08551	24.1
145.02831	13.5
149.13231	59.6
150.13545	2.5
153.05463	1.6
155.08479	7.8
156.09328	6.5
157.06459	4.8
157.10112	20.1
158.06038	4.6
163.01845	1.6
167.07094	2.1
167.08479	2.9
167.10661	2.1
167.14276	13.7
170.07280	2.1
170.10907	19.2
181.02855	3.3
185.04515	2.4
185.05962	6.5
185.09517	13.7
185.13226	44.7
185.15326	5.5
186.05482	5.7
186.07588	6.0
186.13528	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	187.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
51.83289	0.4
53.03923	1.9
55.01858	1.3
55.05503	2.8
56.05017	1.0
56.96565	2.8
57.03407	1.5
57.07063	0.6
59.06104	1.0
60.04521	0.6
61.02908	1.9
65.03927	0.7
65.59768	0.4
67.05495	6.7
69.03419	5.9
69.07058	0.5
70.02966	0.6
70.06568	2.0
71.01325	1.5
71.04975	2.1
72.04507	0.7
72.08134	1.6
72.93771	0.9
73.02888	1.2
77.03900	0.5
79.05484	19.1
80.46908	0.4
81.03403	7.7
81.07037	7.8
82.06541	0.8
83.04968	1.8
83.08607	1.0
84.04496	7.1
84.08118	0.8
84.99258	0.5
85.02908	4.1
85.03989	0.7
86.06038	0.9
86.09686	1.2
87.04463	0.9
88.02213	3.4
90.94836	0.6
91.04922	0.8
91.05470	13.2
92.05788	0.6
93.07032	18.2
95.04961	4.2
95.08592	16.5
95.25871	0.5
97.02868	3.2
97.06502	2.9
97.07646	0.6
98.97583	2.0
99.04417	1.3
100.07547	0.5
103.05457	3.0
104.04028	0.5
105.03400	0.7
105.07016	25.1
106.07367	0.6
107.04929	1.8
107.08573	8.5
109.02875	2.4
109.06514	6.4
110.06010	0.7
111.04389	1.1
112.03963	0.6
113.02315	0.5
113.05994	1.1
113.10741	0.6
114.05505	1.2
115.05436	33.5
116.05743	0.7
116.07011	0.7
116.98587	1.7
117.06989	1.6
118.99899	0.5
119.01855	0.8
119.06120	0.5
119.08546	1.0
121.06520	2.6
123.04432	1.0
123.08060	3.9
125.05978	0.7
127.03870	2.8
127.08704	0.5
128.06171	1.7
128.07057	1.1
128.98637	0.6
129.06941	1.9
131.04910	45.7
131.08565	4.2
132.05257	1.4
133.06497	2.6
133.10129	0.7
134.99632	1.5
139.07520	5.9
141.05542	0.7
141.06938	1.5
143.04901	19.7
143.08521	1.2
144.05659	1.2
145.06403	1.3
145.10081	1.4
146.99602	0.6
151.07533	8.3
154.07759	0.8
155.03444	1.0
158.99617	0.9
159.04381	3.8
159.06895	1.2
159.08054	3.3
159.11684	2.3
163.02744	0.8
169.04965	0.8
169.06471	0.5
169.08582	5.9
169.10123	1.3
172.08856	0.7
173.00804	1.7
175.02800	0.6
175.04323	1.1
177.00713	0.5
184.04866	1.9
187.03879	100.0
187.09590	3.0
187.11151	5.8
187.12593	1.1
187.14621	1.4
188.04230	3.5
195.55786	0.6
205.03813	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.117
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
51.02390	0.6
53.03936	1.9
55.01858	1.1
55.05499	5.8
57.03425	5.1
57.07059	0.7
59.04994	0.6
61.02913	0.6
67.05494	7.4
69.03439	1.4
69.07058	7.8
71.04975	1.4
71.36679	1.0
73.02908	1.0
75.04062	0.9
75.04468	12.4
77.03909	0.8
79.05482	13.2
81.07045	41.1
82.07380	0.6
83.04981	1.7
83.08613	3.1
83.90346	0.6
85.75990	0.5
86.09692	1.7
86.95750	0.7
91.05467	11.0
93.07030	96.9
94.07353	1.4
95.04943	3.6
95.08591	12.4
97.06523	2.3
97.10156	2.6
99.16410	0.5
103.05407	1.0
105.04488	0.6
105.07016	13.8
106.07847	0.6
107.04964	0.7
107.08575	12.0
109.06525	0.7
109.10143	7.6
111.04431	2.4
111.08064	30.2
111.11707	1.6
113.05965	0.7
116.98614	0.7
119.08564	2.3
121.10125	100.0
122.10460	2.0
123.08048	4.0
123.11722	3.2
125.05993	3.0
125.09621	3.9
128.06216	1.1
129.06989	2.1
131.08557	2.4
133.07597	1.0
135.31557	0.7
137.09595	2.4
137.78748	0.7
139.11163	9.8
142.07722	1.4
143.08543	1.8
149.09596	7.5
155.08467	0.7
155.10625	1.3
157.06476	0.7
157.10117	1.6
167.10661	29.0
170.10832	1.3
185.05952	0.9
185.09663	0.7
185.11700	6.2
185.13280	3.2
185.15253	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1169
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.03935	1.5
55.05497	2.3
57.03431	3.1
57.07058	0.9
60.27448	0.5
64.53762	0.5
67.05498	6.9
69.03450	0.6
69.07056	6.1
69.66233	0.5
69.88341	3.2
71.04977	1.3
75.47701	0.5
79.05019	1.0
79.05480	18.8
81.07041	100.0
82.07391	1.4
83.04958	1.1
87.04473	0.8
91.05463	4.0
93.07027	41.0
94.07373	1.0
95.04958	1.7
95.08585	16.8
97.06506	3.3
97.10158	0.6
105.07003	4.0
106.65118	0.5
107.04922	1.6
107.08575	2.4
109.06577	0.5
109.10141	10.0
111.08086	1.3
111.11719	1.1
111.34954	0.5
111.75641	0.6
119.08540	0.7
121.06509	1.1
121.10123	34.3
123.08026	1.0
123.11678	5.7
125.05971	8.3
129.06927	0.6
131.08562	1.2
137.04639	0.6
139.07535	0.6
139.11157	13.3
148.25401	0.6
149.09557	2.9
155.10565	0.5
157.10114	0.6
167.10648	6.4
171.43889	0.6
185.11700	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01862	4.5
55.05502	5.0
56.05018	2.3
56.96556	66.4
57.03423	7.9
58.06577	1.3
58.99851	2.7
59.04986	1.0
59.06098	1.2
60.04514	1.3
60.95843	2.8
60.99605	0.6
61.02916	5.2
65.03925	2.7
67.02996	0.6
67.05496	7.7
67.92494	1.8
68.05006	1.2
69.03416	10.0
69.07045	2.8
70.06570	4.1
70.98106	1.4
71.01328	2.0
71.04989	2.9
71.06107	0.7
71.69237	0.9
71.95255	6.0
72.08141	2.4
72.96012	1.8
73.02903	6.1
74.06040	0.5
74.97588	2.0
75.04474	0.7
77.00887	3.9
78.38784	0.5
79.05480	9.9
80.05014	0.8
80.94962	0.5
81.03401	11.3
81.04514	0.6
81.07037	7.0
81.95016	0.6
82.03735	0.6
82.06550	1.9
82.07378	0.8
82.48495	0.6
82.94817	2.3
82.99831	1.4
83.00773	0.7
83.04964	9.2
83.06081	2.2
83.08610	0.8
83.99899	0.6
84.01546	2.4
84.04488	3.5
84.08134	3.9
84.96014	4.6
85.01337	0.6
85.02892	19.4
86.03630	0.8
86.06053	2.1
86.09693	4.6
86.99312	1.6
87.04450	1.4
88.99146	0.9
89.00839	1.4
91.04908	1.2
91.05464	13.9
92.05784	1.4
92.07862	0.7
93.02058	1.4
93.03374	0.7
93.07028	10.3
94.06549	1.2
95.01322	0.6
95.01908	1.3
95.04954	12.8
95.05978	0.7
95.08590	1.7
96.01522	0.6
96.04487	0.7
96.05263	0.6
96.08102	0.9
97.01409	0.9
97.02867	13.9
97.06510	3.5
97.07640	0.8
97.99182	0.9
98.01266	1.3
98.03218	0.7
98.06042	1.3
98.09688	1.0
98.97568	30.7
99.04446	2.8
99.95486	0.6
99.97922	0.6
100.02451	3.8
101.00855	15.0
101.02534	1.8
102.00909	8.8
102.96828	3.0
103.00584	4.9
103.02399	3.0
103.05442	3.4
104.01299	0.7
105.00349	1.6
105.04510	1.4
105.07024	2.2
106.01025	1.2
106.01728	0.7
106.02612	0.6
107.00082	0.6
107.03415	1.7
107.04942	6.1
107.08588	1.3
108.01554	0.8
109.00481	1.2
109.02884	3.3
109.06526	4.7
109.07599	0.8
110.01232	1.0
110.06019	1.7
110.07143	0.9
110.97520	3.0
111.02034	0.7
111.04411	4.1
111.06842	0.6
111.08095	4.4
111.09217	0.9
112.02742	0.9
112.07574	1.1
112.99120	0.9
113.00882	3.3
113.01585	0.8
113.03448	1.9
114.04072	0.7
114.05537	1.4
114.09129	1.1
115.00668	1.1
115.01561	0.9
115.02415	9.8
115.03215	0.6
116.00165	0.7
116.02467	1.3
116.98605	35.5
117.02094	1.1
117.03964	6.0
117.06999	0.6
118.01086	1.0
118.03457	3.9
119.01900	100.0
119.04884	3.9
120.01991	79.5
120.97929	5.1
121.01643	39.7
121.03133	1.5
121.05607	1.2
121.06482	21.9
122.03056	0.7
122.06004	1.6
122.06850	0.8
122.97698	1.2
123.02068	1.0
123.04415	6.0
123.06746	1.1
123.08054	0.9
123.97433	3.0
124.02503	0.7
124.95521	0.6
125.01653	0.9
125.02457	0.8
125.05972	3.5
125.07061	1.1
126.02281	0.8
126.04110	0.8
126.05481	2.5
126.06545	1.0
126.93777	1.3
126.95535	0.7
127.02402	0.8
127.03896	2.9
127.04935	3.2
127.08670	0.6
128.02257	0.9
128.06181	0.8
128.97707	1.0
128.98584	5.7
129.02055	1.4
129.03908	1.1
129.05473	0.6
129.10240	0.7
130.08635	0.7
131.00166	2.1
131.01881	24.5
131.04892	3.3
132.01950	1.3
132.04179	0.9
132.05080	1.1
133.01677	5.8
133.03459	10.6
134.01248	0.8
134.03665	3.0
134.99634	30.9
135.03290	1.2
135.05167	4.6
136.04451	1.3
136.06181	0.7
137.02937	36.2
137.05899	3.0
138.03036	43.8
138.04234	1.9
138.05312	5.7
138.98943	6.5
139.01604	1.3
139.02654	18.0
139.07509	4.2
139.08481	1.0
140.00157	2.1
140.02379	0.5
140.07042	1.3
140.10701	0.6
141.03955	0.6
142.02512	0.7
142.03481	8.9
142.05254	0.7
142.07722	1.1
142.96490	3.1
143.00108	2.3
143.01878	14.8
143.03607	18.6
144.02016	4.0
144.03238	12.3
144.04945	0.9
144.07652	1.6
144.94771	1.3
144.98099	1.0
144.99796	1.1
145.01631	1.9
145.03424	11.3
146.03569	0.9
146.99620	7.1
147.01367	2.4
147.03206	1.1
147.04301	1.0
147.05028	1.1
148.02049	1.0
148.03854	2.5
149.01212	5.9
149.02963	6.1
149.04753	0.7
149.05940	15.5
150.06390	2.0
151.02707	1.5
151.03896	3.8
151.06181	0.9
152.07030	1.2
153.00676	6.0
153.01718	0.9
153.05452	2.5
154.03612	1.1
155.01819	3.4
156.03262	1.4
156.97934	0.7
156.99989	1.5
157.03439	23.6
157.10095	0.7
158.01265	3.1
158.03586	2.6
158.06543	0.7
158.99648	2.4
159.03253	4.2
159.05008	3.8
159.06641	0.9
160.02921	0.8
160.03128	1.0
160.04512	6.8
160.97585	5.9
161.01239	5.1
161.02940	39.7
161.04610	7.8
161.96164	1.3
162.00639	0.8
162.03056	14.5
162.04314	11.2
162.06354	0.7
162.95851	2.4
162.99106	2.5
163.02682	5.5
163.04562	3.6
165.00717	1.6
165.05444	1.1
166.05072	1.4
167.00198	1.3
167.02025	2.6
167.03455	1.1
167.04759	1.0
167.07008	5.1
167.08173	0.9
167.96404	1.5
168.05083	1.0
168.06462	1.2
168.11404	0.7
169.03416	0.9
169.09727	0.7
170.99635	1.1
171.01323	0.9
171.04944	1.0
173.01370	1.3
173.02968	5.4
173.06668	0.6
174.04391	1.9
174.99127	0.9
175.02878	1.3
175.04506	11.2
176.02245	0.9
176.04639	1.3
177.00723	2.6
177.04364	1.3
177.06033	2.1
178.05470	1.7
178.98608	1.6
179.02402	1.1
179.03969	10.9
179.05472	1.1
180.03987	9.1
180.05367	2.6
181.00076	1.0
181.03635	3.8
182.03786	0.8
183.04918	1.0
184.04597	2.6
184.97653	1.3
185.01241	2.3
185.02925	19.7
185.04623	5.3
185.06490	2.9
185.12772	3.8
185.97430	1.6
186.02768	1.1
186.04280	1.6
186.06064	1.6
186.07678	1.8
186.14870	6.6
187.04547	0.8
188.96997	1.4
189.00632	1.1
193.00215	1.0
193.03658	0.7
195.05008	3.1
197.01227	1.3
197.06593	1.3
199.04562	1.8
201.01993	0.8
202.05641	0.7
202.98613	1.6
203.02235	2.1
203.03978	11.9
203.05742	1.9
203.07265	0.8
204.01733	0.7
204.03685	0.7
204.05435	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0805
Annotation	Genipic acid
Peak:m/z	Relative Intensity
53.03932	4.0
54.37000	0.8
55.01855	3.7
55.05503	4.5
55.92241	1.0
56.05024	2.3
56.96552	1.6
59.06109	2.3
67.05501	5.3
68.05005	1.3
69.03416	3.4
69.07047	3.5
70.01468	1.0
70.06574	3.7
70.13165	5.8
71.01353	1.0
71.04975	3.9
72.08138	4.5
73.02904	1.6
79.05476	13.4
81.03403	5.3
81.07039	5.8
82.06574	1.3
83.04972	3.7
83.06080	2.3
84.04498	3.0
84.08150	1.0
85.02898	3.3
85.07646	0.9
86.09704	10.5
91.05462	9.7
93.07029	17.1
94.04177	2.5
95.04956	13.9
95.06075	1.3
95.08595	4.0
96.04459	1.2
97.02905	2.6
97.06530	6.8
97.07622	1.5
98.06030	1.8
98.07174	1.2
98.97549	1.3
101.06008	1.7
103.05476	5.0
105.07027	2.9
107.04984	4.6
107.08591	1.4
109.06512	3.7
109.07630	1.8
111.04432	3.2
111.08065	4.2
111.09182	1.4
112.07577	1.4
113.03465	1.3
113.05983	2.1
114.05516	3.4
116.98624	1.7
119.01899	2.9
120.02012	3.7
121.01634	1.5
121.06489	71.2
121.10098	1.3
122.06017	1.7
122.06838	1.9
123.04429	2.4
123.08059	3.1
125.02341	1.9
125.05982	4.2
125.07201	1.0
126.05502	3.4
127.03918	1.3
127.08690	2.5
128.06192	1.7
128.07057	1.2
129.06992	3.7
131.01898	1.8
131.04849	2.0
134.03658	2.1
137.02994	1.2
137.05928	2.6
138.03035	1.3
138.05463	1.1
139.01746	1.2
139.03893	2.1
139.07579	7.2
139.08611	1.4
140.07045	4.2
140.08035	1.5
141.05382	2.2
141.10208	1.1
142.07712	1.9
142.09723	1.2
143.03525	1.8
143.08562	1.3
144.07704	1.2
144.57372	1.0
149.05960	100.0
150.06322	3.1
157.06468	1.3
157.10126	1.7
161.02910	1.4
163.01804	2.0
167.07013	24.8
167.08322	2.1
168.11327	2.8
180.61885	1.2
181.02866	3.1
185.04382	1.8
185.05847	1.3
185.08023	2.3
185.13269	3.0
186.07584	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	184.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65465	0.2
52.94531	0.2
59.48802	0.2
60.00627	0.3
60.80585	0.2
65.01222	0.2
66.03411	0.2
71.33428	0.3
71.47573	0.6
82.99818	1.1
84.18331	0.2
96.92422	0.2
100.02438	0.3
101.00862	21.8
102.00954	0.6
112.16286	0.3
112.23626	0.2
118.03503	0.3
118.47906	0.2
119.01901	100.0
120.01978	4.3
121.02368	0.3
124.02458	1.4
137.02936	31.4
138.03044	1.5
142.03479	17.5
143.01855	0.3
143.03668	1.6
158.06563	0.3
160.04523	5.9
161.02945	5.2
161.04611	0.9
165.05045	0.7
177.00970	1.0
179.03987	8.3
179.05507	0.3
184.02959	0.3
184.04576	0.6
202.05482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63001	0.2
53.03926	0.3
55.01855	0.8
55.82681	0.2
56.05027	0.4
56.96557	6.2
57.03426	0.9
58.99861	0.6
61.01128	0.4
61.02903	0.6
65.03940	0.4
65.92621	0.3
67.05487	0.8
69.03403	1.6
69.62351	2.3
70.06592	0.3
70.98106	0.3
71.01348	0.4
71.04962	0.5
71.95274	0.4
73.02914	1.5
74.03236	0.3
77.00900	0.4
77.03912	0.2
77.34343	0.2
78.48140	0.2
79.05476	1.0
80.05814	0.5
80.94958	0.8
81.03413	1.6
81.07032	0.8
82.01436	0.4
82.03753	0.4
82.06575	0.3
82.07366	0.6
82.99778	1.2
83.00816	0.3
83.04958	0.4
83.06091	0.4
84.04495	0.6
84.08109	0.4
84.96008	0.4
85.02903	1.8
86.03552	2.7
86.09708	0.3
86.99324	0.3
91.05459	2.1
92.05809	0.9
93.07058	0.3
95.04967	0.9
95.06054	0.2
96.04475	0.2
96.05293	0.3
96.08079	0.3
97.02864	1.3
97.07648	0.2
98.03194	0.2
98.06031	0.3
98.97571	3.0
100.02480	1.0
101.00863	14.9
101.95036	0.5
102.00922	0.6
102.02268	0.7
103.02360	0.3
105.00323	0.3
107.04941	0.6
109.02894	0.3
109.06483	0.4
110.06046	0.4
110.06818	0.4
110.97559	0.5
113.00864	0.3
113.04601	0.5
114.03004	1.2
115.00663	0.3
115.02439	2.1
116.00218	0.3
116.98592	3.0
117.01942	0.3
117.03987	1.0
117.57333	0.2
118.01157	0.5
118.03531	0.9
119.01904	100.0
119.04919	1.1
119.96072	0.4
120.01983	4.4
120.03258	0.3
120.05259	0.4
121.01656	0.7
121.02384	0.3
121.06518	1.1
121.97548	1.1
123.04413	0.6
124.02470	0.9
124.03884	0.3
124.93892	0.4
127.03992	0.4
127.05035	0.7
128.02316	0.6
128.98579	0.7
131.01874	1.9
133.01633	1.3
133.03418	2.2
134.99596	1.5
135.03212	0.3
135.05067	0.6
136.04594	0.6
136.07549	0.4
137.02940	39.2
138.03043	1.4
138.05356	0.3
138.06334	0.4
138.09183	0.3
138.10225	0.3
140.05501	0.4
141.04044	0.4
142.03481	20.1
143.00151	0.7
143.01903	3.2
143.03635	1.2
144.02106	0.3
144.03203	0.4
144.04933	0.4
145.03413	1.1
146.99637	0.5
147.04398	1.0
148.04770	0.7
148.69994	0.3
149.02998	0.5
149.04848	0.2
149.05981	0.7
156.03246	0.9
156.05110	1.0
157.03435	1.8
158.06662	0.7
159.04991	0.3
159.06168	0.3
160.04543	8.1
160.96007	0.8
160.97627	0.3
161.01270	1.1
161.02937	15.4
161.04533	1.4
161.06580	0.6
162.03058	0.7
162.04311	0.5
163.04523	0.4
165.05243	1.2
165.96550	0.6
166.03629	0.4
166.04976	0.9
166.08609	0.6
166.09874	0.4
167.02003	0.3
168.53473	0.2
173.03064	0.5
174.04388	0.4
175.02878	0.4
175.04504	0.9
177.00728	0.3
179.02301	1.2
179.03981	11.7
179.05609	0.8
179.07500	0.4
180.04056	0.4
182.03899	0.6
183.06290	0.4
183.97557	0.7
184.02911	0.4
184.04541	3.7
184.06052	0.4
184.09666	0.7
184.13231	0.4
184.14604	0.3
185.01483	0.3
185.02948	1.3
195.05083	0.4
197.03244	0.3
202.03870	0.5
202.05621	1.4
203.04015	0.6
203.50200	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	184.031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
54.04277	1.1
55.01860	5.2
55.05489	3.9
56.05033	2.1
56.96556	50.4
57.03433	7.0
58.06569	1.3
58.99837	0.8
59.06111	0.9
60.04513	1.8
60.08157	1.1
61.02642	0.7
61.02916	4.3
63.19844	0.7
65.03929	3.4
65.92615	1.2
66.58266	0.7
67.05493	5.6
68.05014	1.7
68.05831	0.8
69.03423	10.7
69.07077	0.9
70.03764	0.9
70.06586	7.8
70.95849	0.8
70.98120	2.3
71.01334	2.4
71.04978	2.5
71.06091	1.2
71.07317	0.8
71.69221	1.5
71.95245	1.9
72.04534	0.9
72.08144	2.4
73.02905	10.7
73.06536	1.7
74.97601	2.4
77.00832	0.8
79.05476	4.3
80.05001	1.6
80.05818	4.2
80.94958	2.1
81.03405	10.5
81.07035	4.6
82.03735	2.1
82.06566	3.5
82.07384	5.1
83.00777	4.7
83.01255	1.1
83.04964	2.7
83.06093	1.7
84.04500	3.5
84.08137	3.3
84.96025	3.4
85.02897	12.3
85.07659	1.1
86.03558	2.9
86.06043	3.2
86.09686	7.3
87.04436	1.7
88.99169	2.1
89.00765	2.7
90.01544	2.4
90.94804	0.8
91.00497	2.7
91.05466	8.1
92.01295	3.4
92.04983	1.1
92.05805	6.2
93.07021	4.1
94.06563	2.2
94.07404	1.0
95.00751	1.0
95.04948	5.4
95.06068	1.7
95.08591	1.0
96.01570	1.7
96.04742	0.7
96.05284	4.3
96.08099	1.6
97.02876	12.8
97.03949	0.8
97.06533	1.2
97.07635	2.3
98.01302	4.4
98.03208	0.9
98.06048	2.8
98.06821	1.1
98.97563	24.3
98.98517	1.0
99.02094	1.2
99.04434	2.3
99.05605	1.2
99.95539	0.8
100.01041	1.8
100.07587	1.3
100.99128	2.4
101.00844	9.8
101.02347	0.9
101.95012	2.5
102.05556	0.8
102.96932	1.3
103.00483	2.1
103.05496	1.0
104.01292	1.5
104.10741	3.1
105.02109	0.9
105.03383	1.7
106.03701	2.1
106.04818	0.7
107.00168	0.9
107.01778	3.6
107.04952	5.6
108.05258	2.5
109.00479	2.2
109.02878	3.0
109.06509	2.9
109.07650	2.8
110.01256	8.7
110.06029	4.7
110.06861	6.0
110.09637	0.9
110.97549	3.9
111.04425	2.2
111.08054	1.3
111.09196	1.6
111.53638	0.9
112.01014	6.0
112.04830	0.8
112.07594	2.6
113.02396	1.0
113.06007	0.8
113.07127	0.9
114.05495	0.9
114.06611	1.2
115.02347	1.8
116.01261	1.1
116.98609	21.1
118.00991	5.5
119.01881	100.0
119.04941	2.9
119.51958	1.1
119.96060	1.4
120.02002	4.8
120.04459	1.5
120.05268	3.9
120.08089	1.2
120.97882	0.9
121.01550	5.3
121.02871	1.5
121.06465	4.0
121.52102	1.3
121.97552	2.6
122.03175	1.4
123.04393	3.2
123.51763	0.8
124.00989	4.0
124.03918	2.1
124.04766	3.3
124.07564	2.1
124.93899	1.2
124.99973	3.9
125.02470	0.9
125.06081	1.0
125.07100	1.9
126.05553	1.1
127.01530	2.9
127.03895	3.2
127.04826	0.9
128.02303	30.7
128.52477	2.1
128.98567	6.7
129.02138	1.1
129.51794	0.9
130.08563	1.0
130.52583	3.0
131.00157	1.2
131.01852	3.0
131.04875	1.1
132.00717	1.0
133.01534	8.0
133.03481	1.2
134.99638	16.4
136.00943	1.7
136.04707	1.5
137.02904	53.0
137.05933	3.0
137.07011	1.0
137.52995	1.9
137.97032	1.8
138.03050	1.8
138.05389	5.1
138.06392	6.9
138.09123	3.0
138.98955	1.6
139.01526	5.9
139.07472	1.1
139.08661	1.2
139.53087	1.8
140.00197	0.9
140.07019	1.6
142.01933	1.4
142.02257	1.5
142.03481	17.9
142.94952	0.9
143.00146	3.5
143.01868	4.1
143.03543	1.7
144.52271	1.1
144.98088	4.4
145.01547	2.4
145.03468	0.9
146.02304	1.2
146.99619	10.3
147.04344	1.2
148.02028	3.2
148.03859	29.1
148.53632	1.9
149.01166	1.1
149.05954	3.3
150.52296	1.0
151.03874	0.9
152.07036	1.0
153.00711	1.4
153.05460	0.9
154.02034	7.1
155.04665	2.3
155.54770	1.1
155.98157	1.4
156.03255	1.0
156.05170	1.0
156.06487	0.9
156.10196	1.5
156.11322	1.0
156.13809	0.9
158.01256	2.2
158.99654	4.1
160.03131	1.5
160.04514	7.9
160.96098	1.5
161.01256	7.6
161.02950	11.8
161.04585	2.7
161.06577	1.1
162.03113	1.0
162.99135	9.9
163.02643	3.7
164.05150	1.3
165.00693	2.1
165.52811	0.9
165.96487	1.5
166.04910	39.5
166.08640	2.0
166.09753	1.9
167.03424	1.5
167.06993	1.5
167.08202	1.2
170.99638	1.9
173.01190	2.2
174.04422	1.5
175.02663	1.0
177.00731	3.5
177.04240	0.9
178.01062	0.8
179.02284	2.1
179.03998	7.8
179.05414	0.8
181.00188	3.1
181.03743	0.9
183.97539	2.3
184.00497	0.9
184.02989	1.4
184.04521	2.4
184.06091	5.3
184.07555	4.1
184.09431	6.4
184.11113	3.7
184.13251	1.8
185.01164	1.1
185.04463	1.9
185.09262	1.4
186.00787	1.0
186.04350	1.5
186.99168	1.0
189.00726	2.9
191.02206	1.1
191.69226	0.8
201.00777	1.3
202.03848	1.5
202.05577	1.4
204.05464	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1377
Annotation	Nordavanone
Peak:m/z	Relative Intensity
53.03942	3.4
55.01862	6.8
55.05259	0.7
55.05499	6.3
56.05022	1.0
57.03427	14.7
57.07068	0.9
59.04973	1.4
59.06115	2.8
65.03927	2.3
67.05134	1.0
67.05494	20.2
68.05009	1.0
69.03038	0.9
69.03416	15.9
69.04522	0.5
69.07048	5.9
70.06577	1.6
71.04985	5.3
71.35173	0.5
71.69881	0.7
77.03909	1.0
79.05482	22.8
80.05811	0.7
81.03406	2.8
81.07043	30.8
81.34302	0.5
82.06549	0.9
82.07378	0.5
83.04967	4.1
83.06123	0.9
83.08589	2.0
84.04481	0.9
84.08099	0.8
85.02888	2.0
85.06529	15.6
86.08471	0.6
86.09673	0.6
91.05470	19.7
91.06041	1.2
93.03397	1.6
93.07029	30.2
94.07359	0.9
95.04953	33.4
95.08589	13.5
96.04482	0.6
96.08111	0.9
97.02879	1.4
97.06518	9.1
97.07590	1.0
98.06068	0.5
98.98454	8.3
99.04437	4.6
99.05538	0.8
99.08059	1.8
105.03374	13.1
105.04507	1.3
105.07001	6.1
107.04954	3.7
107.08574	9.2
109.02853	1.3
109.06506	9.2
109.07648	1.6
109.10139	14.4
110.06057	1.1
111.04433	1.4
111.08062	100.0
112.08440	1.7
113.05983	14.2
116.98618	0.6
117.07048	2.6
119.01897	0.7
119.04934	1.3
119.05929	0.5
119.08562	24.4
121.02846	0.7
121.06503	3.8
121.10136	4.7
122.07207	0.6
123.04411	15.4
123.08051	9.5
123.08998	0.6
123.11667	2.2
124.07575	1.2
124.08684	1.7
125.02339	1.2
125.05976	27.5
125.07053	2.1
125.09613	1.6
126.06342	0.6
127.01539	1.5
127.03890	1.1
129.06969	0.9
132.05594	0.5
133.02823	1.1
133.97510	0.5
135.04327	0.5
135.08044	1.4
135.11649	2.8
136.08720	0.7
137.05962	6.3
137.07996	0.6
137.09590	12.7
137.13235	1.0
138.05476	2.2
139.03880	1.0
139.07500	1.4
139.11183	1.3
140.04643	4.7
141.05452	1.5
141.06926	1.0
141.09114	0.7
142.07822	1.0
142.09816	0.6
147.04366	1.0
147.08020	12.5
147.11661	3.2
153.05569	1.0
153.06976	2.6
153.09033	1.1
155.07025	3.0
155.08479	3.8
155.10611	2.6
165.05510	3.6
165.06856	0.7
165.09090	11.6
165.12744	6.3
166.09653	0.8
167.08559	0.7
168.09291	4.7
183.06699	5.2
183.08125	1.5
183.10132	11.7
183.11713	6.1
183.13803	11.9
184.09752	0.8
190.99730	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.2
53.03936	6.5
54.59305	0.5
55.01867	4.3
55.05500	3.7
56.05012	1.5
56.96561	5.3
57.03155	0.9
57.03427	13.4
57.07060	0.8
58.06561	0.5
59.04993	0.6
59.06114	5.8
63.70118	0.5
65.03920	4.3
67.00403	0.4
67.05135	0.9
67.05494	19.1
68.05004	1.5
68.99774	1.3
69.03418	17.6
69.04543	0.5
69.07049	3.8
70.06575	2.4
70.34487	0.5
71.04981	3.2
71.25046	1.5
72.04505	0.6
72.59043	0.5
77.03922	1.3
79.05476	5.5
81.03414	4.2
81.04530	1.0
81.07046	10.7
82.06570	0.9
83.04965	2.8
83.06088	2.4
83.08603	1.2
84.04514	0.7
84.08077	0.5
84.96004	1.3
85.02895	2.5
85.06528	10.6
85.07649	1.4
86.06076	0.6
86.08437	0.8
91.05468	11.8
93.03377	0.9
93.06433	0.7
93.07027	13.4
94.04177	1.0
95.04951	61.9
95.08583	9.3
96.05279	1.2
97.02869	2.3
97.06542	3.8
97.07615	2.5
98.06046	1.5
98.07137	0.7
98.97572	2.9
98.98454	8.2
99.04456	2.8
99.05540	1.3
99.08070	1.7
101.02389	0.6
101.28639	0.5
101.95036	0.7
103.05473	0.6
105.02664	0.7
105.03375	14.2
105.04490	2.4
105.07006	4.3
107.04926	2.1
107.06059	0.6
107.08575	2.9
109.02864	1.5
109.06508	7.4
109.07587	3.3
109.10143	9.2
110.03622	1.2
110.06033	0.7
111.04450	2.5
111.08062	100.0
112.05074	0.6
112.08405	1.5
113.05191	0.6
113.05987	13.6
116.72625	0.6
116.98600	3.2
117.06969	0.8
119.01899	1.9
119.04922	6.8
119.08567	9.5
120.05264	0.7
121.03986	0.6
121.06532	0.8
121.07593	0.5
121.10120	4.6
122.03602	0.7
122.07143	1.3
123.04412	46.1
123.08042	8.4
123.11697	0.9
124.04830	1.6
124.07660	0.7
124.08678	2.2
125.02348	4.1
125.05977	14.0
125.07093	3.5
125.09618	1.5
127.01546	1.9
127.07526	0.9
127.08661	0.7
128.98589	1.4
129.06995	0.7
133.02824	5.7
134.99597	1.7
135.04379	1.5
135.08095	0.7
135.11665	2.2
136.08722	1.0
137.04951	0.7
137.05959	10.2
137.09573	8.2
137.13203	1.0
138.09119	0.6
138.10149	1.0
139.03877	1.0
139.07523	0.7
140.04660	15.5
140.08170	1.6
141.05403	0.8
142.03465	0.6
142.09702	0.6
146.99609	1.5
147.04382	14.6
147.08017	2.6
147.11679	1.9
148.04771	1.5
148.08685	1.3
151.03870	3.5
153.01755	1.0
153.05449	10.7
153.06929	1.8
153.12677	1.1
155.04843	0.6
155.06998	15.3
155.08527	2.0
155.10651	1.5
158.99695	0.7
160.04489	1.0
161.01233	0.9
165.04253	0.9
165.05487	6.7
165.06927	0.8
165.07567	1.1
165.09044	5.1
165.12700	2.9
166.05995	0.7
166.09727	1.9
167.08559	0.7
168.04189	1.2
168.09309	3.6
177.00629	0.6
183.02969	0.7
183.06514	8.4
183.08157	1.8
183.10219	10.2
183.11745	3.6
183.13739	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1013
Annotation	2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate
Peak:m/z	Relative Intensity
51.02375	1.5
53.03942	12.5
54.03481	1.9
54.72114	1.4
55.01867	18.1
55.05504	9.3
56.05016	4.7
56.96545	5.1
57.03416	4.0
57.07058	2.7
57.85337	1.3
58.06581	1.6
59.04977	1.6
59.06114	16.5
60.04518	1.9
60.14810	1.2
65.03930	8.9
67.05495	57.8
68.05006	5.8
68.05829	2.6
68.99776	1.8
69.03428	9.5
69.07058	9.0
70.06591	7.6
70.49960	3.2
70.50364	2.1
71.01341	2.7
71.04978	7.0
72.04523	2.0
72.08131	2.7
73.02929	1.8
77.03902	3.8
79.05081	2.2
79.05486	24.4
80.05023	1.9
81.03394	9.2
81.07045	37.8
82.06554	3.8
83.04980	6.8
83.06108	6.3
83.08581	1.6
84.04462	2.5
84.08125	5.4
85.02893	8.0
85.06517	2.8
85.07635	2.7
86.08421	2.1
90.56606	1.3
91.05465	51.2
92.05785	2.5
93.03381	1.9
93.07030	28.5
94.04153	2.5
94.06564	1.7
95.04955	100.0
95.06024	3.8
95.08596	30.1
96.05247	3.2
96.08170	1.7
97.02875	5.4
97.06516	7.0
97.07642	7.0
98.06041	4.2
98.07142	2.9
98.97533	2.6
98.98448	31.6
99.04433	6.5
99.05532	2.8
99.08084	2.0
101.95000	1.6
103.05468	3.3
104.06230	1.4
105.02665	1.6
105.03381	47.2
105.04493	5.7
105.07008	11.4
107.04935	8.2
107.08575	9.0
109.02859	5.1
109.06506	33.9
109.07616	9.4
109.10143	60.6
110.06004	4.6
110.09682	2.1
110.10446	1.3
111.04410	5.6
111.08044	4.3
111.09177	1.3
112.08760	1.5
113.02316	1.4
113.07109	1.3
115.53527	1.1
116.98598	4.1
116.99419	1.3
117.06992	12.8
119.01923	7.1
119.04924	4.4
119.08560	99.6
120.08887	3.9
121.02818	1.5
121.06470	5.6
121.10137	12.2
122.05948	1.6
122.07158	4.1
123.04413	65.9
123.08058	28.4
123.11763	1.6
124.04961	1.4
124.07565	1.6
124.08691	6.6
124.77690	1.3
125.02333	5.7
125.06045	10.9
125.07024	10.7
125.09622	3.6
127.01530	4.8
127.07527	3.9
127.08656	2.0
128.06203	2.0
129.06963	6.7
133.02858	10.5
134.99609	3.2
135.08000	4.2
136.08664	3.8
137.03087	1.5
137.05978	28.0
137.09590	52.2
137.13231	1.7
138.05460	2.7
138.06516	1.8
138.09094	2.8
138.10091	2.5
139.03877	2.5
139.07510	3.8
139.08646	3.1
140.04666	28.0
140.08125	2.1
141.05409	5.3
141.06908	2.5
142.03491	2.0
142.07736	1.9
147.04361	8.0
147.08028	66.8
147.11662	2.6
148.08557	4.9
151.03929	3.0
153.01778	1.6
153.05443	5.6
153.06952	9.3
153.09036	2.0
155.04872	1.6
155.06998	20.7
155.08521	9.9
155.10492	1.9
156.13800	8.4
160.04520	3.6
161.01180	1.5
161.02986	1.7
163.39201	1.5
165.01811	1.4
165.05481	15.9
165.06830	2.7
165.09091	45.8
165.11235	2.1
166.09692	6.2
167.08270	1.8
168.04147	3.8
168.09315	15.2
183.04973	2.4
183.06625	18.1
183.08130	7.4
183.10114	45.5
183.11716	13.8
183.13721	2.4
184.07420	2.0
184.09561	2.2
184.13304	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	183.1013
Annotation	5-Oxo-1,2-campholide
Peak:m/z	Relative Intensity
50.68270	0.8
53.03934	6.5
55.01863	1.9
55.05505	12.1
56.05014	1.2
56.05834	0.9
56.69724	0.7
57.03411	3.7
57.07067	1.8
59.04990	16.8
59.06106	1.9
62.91826	0.7
65.03923	2.4
67.05495	32.5
68.99773	1.3
69.03423	9.2
69.07069	5.0
70.06557	1.3
70.26193	4.2
71.01343	0.8
71.04982	30.6
73.06522	1.4
77.03915	1.4
79.05482	10.3
81.03404	10.5
81.07043	21.8
83.04969	30.7
83.06039	1.1
83.08585	3.8
84.08938	1.0
85.02895	2.0
85.06525	2.7
86.09689	0.9
87.04456	2.6
89.06014	1.2
91.05466	6.6
93.07024	9.2
95.04955	36.6
95.08591	59.3
97.02892	1.0
97.06499	3.4
97.07626	1.0
97.10126	1.2
98.98447	10.5
99.04440	64.3
99.08070	4.7
100.04803	0.9
101.11565	1.1
105.03381	17.2
105.04509	2.3
105.07014	6.3
107.04931	3.3
107.08577	12.7
109.02869	3.7
109.06503	7.7
109.07643	1.3
109.10138	68.3
110.10481	2.5
110.42641	1.0
111.04417	2.8
111.08048	3.2
113.05991	2.8
113.09628	2.8
117.05473	1.2
119.08559	9.2
120.08821	1.0
121.06497	2.0
121.10130	6.8
122.03642	2.8
122.07270	8.1
123.04412	30.3
123.08042	10.3
123.11712	4.4
124.08696	1.4
125.05972	9.6
125.06987	1.6
125.09571	1.1
127.01527	1.5
127.03893	45.8
133.02808	4.6
135.04462	1.3
135.08023	0.8
135.11676	1.5
137.05988	6.0
137.09592	100.0
137.13155	1.8
138.09950	2.9
139.03897	2.7
139.11189	1.8
140.04654	7.3
141.05435	1.9
141.06953	2.5
141.09044	4.5
147.08040	1.4
147.11690	2.9
150.03087	0.9
151.03899	10.9
153.01820	3.8
153.05444	13.1
153.06935	4.2
154.05835	0.9
155.07170	5.6
155.08452	6.0
155.10555	2.1
165.04295	1.1
165.05469	5.7
165.06886	1.4
165.09082	6.9
165.12714	5.2
167.03358	1.0
167.08469	1.3
168.04152	1.6
168.09323	9.4
183.06517	46.0
183.10146	48.0
183.11678	13.2
183.13712	1.9
183.19411	6.5
184.06992	1.5
184.55482	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0649
Annotation	3,4-Dihydroxyphenylpropanoate
Peak:m/z	Relative Intensity
53.03928	4.2
55.01855	3.6
55.05507	1.5
56.05019	1.5
65.03922	3.5
67.05495	5.7
68.99770	1.5
69.03416	6.7
71.30391	2.6
79.05483	21.0
81.03405	27.6
81.07045	42.8
83.04958	2.4
83.06068	1.3
85.02873	1.2
85.06499	1.5
91.05463	28.8
92.05854	1.4
93.07043	6.9
95.04954	37.1
95.08662	1.1
96.05302	1.4
97.06470	1.4
98.98438	3.3
99.04446	1.5
103.05445	2.3
105.03384	7.7
105.04449	1.4
107.04945	2.6
109.02874	8.3
109.06503	85.7
109.07652	2.3
110.03652	12.4
111.04408	2.5
119.04921	27.0
119.08528	2.0
121.06476	2.9
123.04415	75.1
123.08046	1.7
124.04720	1.4
125.05994	1.3
125.07085	1.5
135.04378	3.2
137.05957	88.3
140.04689	1.1
147.04401	34.1
152.23308	1.3
153.05461	6.7
153.06718	1.1
155.07060	2.4
155.08470	2.3
165.05457	100.0
166.05766	1.4
166.09717	1.5
168.09332	1.9
183.06516	40.7
183.08031	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0649
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02374	1.2
53.03938	13.1
55.01864	3.7
55.05493	0.5
57.03411	0.5
57.07058	0.6
57.84645	0.4
59.06103	0.4
65.03926	5.0
67.05493	10.5
69.03419	0.9
69.07051	1.2
70.07095	1.7
71.04981	1.3
77.03908	1.9
79.05474	1.2
81.03413	2.4
81.07035	3.7
83.04970	0.9
83.08611	0.5
85.06536	0.8
91.05473	0.9
93.03387	0.7
93.07035	1.1
95.04951	100.0
95.08573	4.0
96.05293	1.2
97.06525	0.6
98.21275	0.6
98.98450	2.1
99.04425	1.5
105.03375	3.6
105.04494	5.4
105.07023	0.4
107.08563	0.9
109.06516	1.2
109.10135	2.5
110.03635	0.7
111.04437	1.5
111.08077	0.4
119.01900	0.4
119.08557	0.6
121.03964	0.6
121.10120	0.8
123.04407	69.4
123.08050	1.1
123.11674	1.7
124.04738	1.1
125.02342	4.2
125.05975	1.0
125.07035	0.6
127.07584	0.4
136.07553	0.8
137.05966	1.3
137.07906	4.6
137.09579	2.0
139.11092	0.4
140.04659	29.2
147.11691	0.6
153.05559	0.4
153.06972	1.2
155.07014	16.0
155.08475	1.7
156.07318	0.4
165.05489	1.1
165.07401	2.0
165.08917	0.5
165.12791	0.4
166.09669	0.4
166.17267	0.5
168.09245	2.0
178.98511	0.5
183.06544	4.9
183.08002	0.6
183.10136	0.8
183.11662	2.8
183.13750	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0652
Annotation	3-[(1E,4R)-4-Hydroxycyclohex-2-en-1-ylidene]-2-oxopropanoate
Peak:m/z	Relative Intensity
51.35759	1.3
53.03938	8.1
55.01864	19.1
55.05491	4.0
56.96559	14.0
57.03419	4.8
59.06107	2.5
61.02917	1.7
62.05644	1.2
65.03929	15.7
66.45350	1.2
67.05494	18.8
68.99780	2.4
69.03423	22.1
69.07045	2.5
69.83025	3.0
69.83446	6.8
71.01340	4.8
71.04991	1.3
73.02917	3.4
77.03935	2.3
79.05481	64.4
81.02943	2.2
81.03407	38.7
81.07047	63.9
82.03729	1.3
83.01325	1.6
83.04964	17.3
84.96024	1.7
85.02873	4.6
87.04471	1.4
89.92405	1.5
91.05467	100.0
93.03405	2.3
93.07021	3.9
94.04184	4.0
95.04953	52.2
97.02866	8.8
97.06516	4.7
98.97565	8.3
98.98398	2.3
99.04437	1.4
100.02412	1.9
100.07568	1.4
101.00866	19.6
101.02537	1.8
105.03389	6.6
105.04480	3.0
106.04159	1.6
107.04941	40.4
109.02863	4.6
109.06508	54.6
109.10114	1.9
110.97550	1.4
111.04424	10.2
113.00840	2.1
115.00601	1.4
115.02344	1.9
116.98605	4.9
118.03502	5.8
119.01902	91.4
119.04927	51.1
119.05673	1.1
121.01545	1.5
121.02852	8.7
121.06462	2.3
123.04424	22.3
124.02440	3.2
125.05985	5.6
128.98586	1.6
131.01878	13.9
132.02005	8.7
133.01595	3.3
134.03633	9.4
134.99648	2.3
135.04391	27.8
136.04533	4.4
137.02946	25.2
137.04936	3.1
137.05954	49.2
137.07004	3.0
139.03888	2.1
142.03490	30.8
143.01871	4.5
145.01630	1.6
146.18274	1.3
147.04385	74.9
148.03828	2.3
150.03099	4.0
153.05449	9.6
154.03557	2.9
155.01965	1.8
155.03532	5.0
156.03174	1.6
157.03477	1.6
159.01317	1.6
159.06129	2.6
160.04533	30.1
161.02954	11.0
165.05444	40.0
173.02933	2.4
173.04747	3.2
178.02522	1.6
178.05583	11.5
179.02507	1.5
179.04001	6.0
183.06483	38.9
183.08168	1.9
185.02982	2.0
201.04332	4.6
201.07257	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	183.0649
Annotation	3-[(1E,4R)-4-Hydroxycyclohex-2-en-1-ylidene]-2-oxopropanoate
Peak:m/z	Relative Intensity
50.34642	1.0
53.03941	7.8
55.01848	4.2
55.05484	1.5
56.80543	1.0
57.03428	1.0
58.94687	1.1
59.06100	4.3
61.91523	1.1
65.03940	5.5
67.05502	9.1
68.99773	1.3
69.03410	6.9
70.06569	1.8
71.04968	3.1
71.68572	2.1
72.08119	1.4
79.05479	28.5
81.03405	23.9
81.07043	51.8
82.06561	1.6
83.04961	1.4
83.06064	2.9
85.02880	2.6
85.06516	1.3
87.04469	1.1
91.05463	37.4
93.07036	8.7
94.04166	1.6
95.04953	53.2
95.08577	3.7
96.63073	1.0
97.02861	1.7
97.06481	1.7
97.07626	2.7
98.98457	8.4
99.04436	2.1
103.05400	1.5
105.03372	15.8
105.04464	2.6
105.06982	1.5
107.04949	2.5
109.02878	6.5
109.06498	100.0
109.07668	3.4
109.10145	3.1
110.03645	9.3
110.06848	1.4
111.04415	3.0
119.01929	2.7
119.04915	31.8
119.08553	2.8
121.06469	3.1
121.07363	1.4
123.04410	54.1
123.08044	5.4
124.08689	1.8
125.05967	2.1
125.07104	1.9
127.01539	1.4
127.07523	2.5
127.08640	1.2
135.04308	2.1
137.05951	94.6
137.09564	4.0
138.06422	1.3
139.07484	1.1
140.04616	3.7
140.08205	1.2
147.04382	36.3
148.08717	1.5
150.02997	1.1
153.05397	4.5
153.06886	2.0
155.06976	3.6
155.08461	2.1
155.18127	1.0
160.41669	1.2
165.05450	86.4
165.09070	2.6
166.05783	1.8
166.09753	2.4
168.09270	2.5
183.06500	28.3
183.10078	2.6
183.11676	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	182.1537
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
50.56548	0.9
53.03933	0.7
55.01855	2.1
55.05506	8.5
57.03428	1.4
57.07081	3.5
58.02953	35.5
67.05139	1.4
67.05496	22.9
68.05834	0.7
69.07059	63.0
69.62232	5.8
70.06580	3.3
70.07381	1.1
71.04984	0.8
72.08135	1.2
74.06065	1.9
78.64420	0.7
79.05171	0.6
79.05486	6.5
81.07045	20.0
83.04955	2.4
83.08609	6.8
84.04484	0.9
84.08134	9.9
84.12670	0.6
84.33360	0.7
86.06039	1.5
86.82101	0.7
91.05473	5.7
93.07031	11.3
95.04940	2.7
95.08585	7.9
97.06518	4.6
98.06030	3.2
98.09677	2.5
98.97559	1.1
98.98469	1.6
100.07607	6.7
100.37145	0.7
104.06847	0.8
104.16589	0.8
105.03375	1.8
105.07011	13.7
107.08578	19.2
109.06490	2.4
109.10144	49.8
110.10463	1.8
110.36012	0.7
112.07586	2.9
112.11219	0.8
114.09146	14.5
119.08585	1.7
121.10114	1.4
123.11692	7.6
126.09148	12.8
126.12792	1.9
128.10703	0.8
133.10109	27.8
134.99712	1.0
135.11687	17.4
136.12019	0.9
136.97743	0.9
138.12759	22.6
139.13072	1.1
140.10649	1.0
140.14348	1.2
147.11670	3.9
148.11957	0.8
151.11151	10.9
153.12732	12.4
154.15817	0.9
164.14301	1.4
165.12738	2.4
182.15387	100.0
183.11638	1.5
183.15759	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	182.081
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
53.03938	1.3
55.01865	1.4
55.05488	0.5
56.96555	12.0
57.03430	2.7
58.99858	0.7
59.04982	0.5
61.02911	1.4
65.03934	0.8
67.05505	1.3
69.03419	3.9
70.75114	1.4
70.98122	1.1
70.99832	0.4
71.01353	0.8
71.04994	0.8
71.95258	0.5
73.02901	2.4
75.04453	0.5
75.42651	0.4
77.00883	1.3
78.95280	0.5
79.05476	2.3
80.05820	0.5
81.03406	3.3
81.07063	1.6
82.01405	0.5
83.04959	1.2
84.04496	0.4
84.95999	2.0
85.02876	3.4
87.04449	0.6
89.00816	0.6
91.02418	0.8
91.05464	39.3
92.05797	1.3
93.07034	1.0
95.04952	17.2
96.01571	0.5
96.05273	0.5
97.01402	0.4
97.02299	0.7
97.02864	5.0
98.01295	0.5
98.09694	0.5
98.97562	8.8
100.02463	2.7
101.00873	1.4
103.05447	1.8
106.06532	0.5
107.01804	1.0
107.04937	2.2
108.05251	1.5
108.08124	1.1
109.02869	1.0
109.06509	2.6
110.97549	1.0
111.02856	0.4
112.99142	0.5
113.00837	1.0
115.02388	1.0
115.03904	0.6
116.98598	4.7
117.02036	0.7
118.03544	2.0
118.06520	1.9
119.01888	4.3
119.04921	42.6
119.97881	0.6
120.02525	1.1
120.05254	1.5
121.05071	0.4
121.06468	1.3
123.04407	55.1
123.41940	0.5
124.04736	1.5
126.98799	0.9
127.03880	1.2
128.98567	1.5
129.02983	0.4
129.03926	0.6
131.00215	0.5
131.01883	5.5
131.03664	0.6
133.03448	2.2
134.99629	2.8
135.03087	0.4
135.04341	0.7
136.07550	100.0
137.02911	0.6
137.04532	0.6
137.05952	2.2
137.07886	3.0
138.05450	0.5
140.04906	0.8
140.98537	0.9
142.03487	1.4
143.00150	1.0
143.01826	1.0
144.99812	4.1
145.03433	1.0
146.99525	1.0
147.03169	1.7
147.04346	17.4
148.04770	0.6
149.02930	1.1
151.04475	0.7
152.07057	0.7
154.03447	1.7
155.01820	0.7
157.03445	0.8
158.99629	3.9
159.01352	1.7
159.03218	1.0
159.05013	1.2
160.04489	2.4
161.01233	0.8
161.02882	1.4
161.04546	0.7
164.04230	0.5
164.05623	10.1
164.07025	2.8
165.05453	24.5
166.05756	0.6
168.01366	1.8
170.05026	2.0
173.01294	0.5
173.02763	1.0
177.00671	4.6
177.02386	5.1
177.04248	1.5
177.05861	0.5
178.05479	0.5
181.97797	0.5
182.02985	0.5
182.05257	0.7
182.06647	2.2
182.08081	9.8
182.11630	0.5
183.04080	1.5
183.06404	1.5
185.02835	0.8
187.00233	1.6
189.00673	0.9
192.04509	0.7
195.01759	0.4
195.03433	1.1
200.04002	1.0
201.00652	1.3
201.04233	0.5
203.02148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.081
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03934	6.5
55.01845	3.6
55.05507	8.7
56.05017	3.6
56.96551	2.2
57.03416	2.2
58.02931	2.4
58.06585	2.2
59.06092	3.8
65.03941	8.0
66.04272	1.0
66.04678	1.1
67.05496	28.3
68.05000	3.7
68.05831	1.5
69.03403	4.3
69.07059	6.6
70.02925	2.1
70.06577	5.8
71.04983	2.5
71.69960	1.7
72.04506	1.2
73.02908	1.5
79.05020	2.3
79.05482	39.4
80.04992	4.9
80.05788	2.3
81.03397	5.5
81.04510	1.9
81.07045	54.0
82.02877	1.4
82.06566	2.1
82.07362	2.7
83.04964	3.1
83.06062	1.9
83.08588	4.0
84.04494	1.9
84.08143	9.7
85.02897	2.1
85.06547	2.8
86.02415	6.1
86.06040	1.9
91.05460	16.1
92.04993	2.5
93.05772	7.7
93.07029	9.6
94.06544	4.5
94.07366	2.9
95.04955	33.8
95.06036	1.8
95.06828	1.1
95.08591	8.0
96.04461	4.3
96.05260	1.1
96.08102	2.8
97.02862	2.2
97.05222	2.7
97.06520	12.4
97.07635	2.3
98.06013	5.0
98.07154	1.2
98.09660	4.2
98.97546	1.2
98.98450	7.1
99.04450	2.0
99.05544	2.1
105.03382	12.9
105.04521	1.9
105.06995	2.9
106.06510	1.9
107.04906	2.0
107.07317	4.8
107.08556	3.9
108.04487	3.0
108.08104	64.9
108.08864	3.1
108.41837	1.0
109.02846	3.1
109.06510	13.1
109.07632	2.8
109.08401	1.6
109.10130	8.7
109.23530	1.0
110.06017	7.6
111.04420	3.5
111.08056	2.3
111.09203	1.6
113.05983	1.5
116.98615	1.9
117.06982	1.3
118.06500	4.1
118.07272	1.5
119.04904	3.2
119.08566	7.3
120.04453	2.0
121.02935	1.1
121.05216	4.2
121.06425	1.5
121.10094	2.5
122.05972	5.6
122.06789	1.9
122.10452	3.9
123.04398	18.5
123.05499	5.9
123.08082	5.4
123.08960	1.3
124.07541	4.8
124.08506	1.9
125.05976	29.7
125.06955	2.3
125.72087	1.1
126.05492	33.2
126.09140	18.5
127.01508	1.5
127.07486	2.4
134.05978	2.2
134.99635	1.6
136.07553	100.0
136.08440	3.4
137.05957	8.9
137.07913	3.8
137.09566	7.3
138.05469	4.2
139.09715	2.7
140.04671	5.4
140.07040	3.4
140.08157	9.9
141.01782	1.7
141.05493	2.1
141.06493	1.9
147.08003	2.7
152.07021	2.4
153.05507	1.4
153.06755	1.4
153.07825	3.0
154.07466	1.6
154.08629	30.6
155.06979	6.3
155.08447	1.5
164.04202	4.3
164.07042	93.4
165.05452	5.0
165.07487	3.0
165.09076	3.0
166.98502	1.4
167.06992	2.4
167.08376	1.4
168.09283	3.8
171.55368	1.5
182.00894	3.1
182.04698	4.1
182.08087	97.1
182.15285	1.8
182.19092	1.2
183.06476	4.7
183.08118	2.4
183.10185	1.8
183.11688	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	182.081
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
53.03939	2.1
55.01849	1.5
55.05485	1.1
56.05024	0.9
56.96303	0.4
56.96552	4.0
57.03416	0.7
57.07053	0.4
58.06577	0.6
59.06100	1.2
61.02906	0.6
63.02357	0.3
65.03930	1.8
67.05500	2.8
68.05002	1.3
69.03418	2.6
69.07062	1.1
69.80759	2.5
70.06577	1.3
71.04968	1.2
71.44880	0.4
72.04510	0.5
72.08149	0.4
73.02891	0.7
74.02422	0.8
77.03901	0.4
79.05480	4.8
80.05000	1.5
80.05807	0.7
81.03407	3.2
81.04530	0.7
81.07045	8.7
82.02929	0.4
82.04163	0.4
82.06561	1.2
83.04943	1.5
83.06081	1.8
83.08591	0.5
83.87122	0.3
84.04479	1.0
84.08109	0.5
84.96024	0.5
85.02892	1.1
85.06521	0.4
85.10120	0.4
86.06062	0.9
86.50726	0.3
86.79191	0.3
87.04482	0.4
91.05466	41.5
92.05781	1.7
93.03382	0.5
93.05759	0.6
93.07039	3.7
94.06570	1.8
94.07348	0.6
95.04958	12.8
95.06073	1.7
95.08601	1.1
96.04456	0.8
96.08093	0.9
97.02886	1.0
97.06504	0.4
97.07629	0.9
98.06037	1.7
98.09722	0.5
98.20700	0.8
98.97562	1.8
98.98445	2.6
99.04432	0.5
99.05569	0.4
99.97921	0.4
101.00868	0.3
103.05462	1.3
105.03373	4.6
105.04491	0.5
105.06979	0.5
107.04943	2.2
107.06075	0.4
107.07351	0.5
107.08576	0.7
108.04476	0.6
108.05237	0.7
108.08095	2.0
108.08784	0.4
109.02854	1.0
109.05294	0.4
109.06511	8.9
109.07642	1.6
109.10159	0.9
110.03691	0.5
110.06004	1.3
111.04417	1.3
111.05544	1.0
111.09180	0.6
116.98605	2.2
118.03546	0.4
118.06522	3.6
118.07299	0.7
119.01895	1.2
119.04926	38.9
119.08572	2.1
119.73032	0.4
119.97854	0.6
120.05274	1.2
120.08069	0.8
121.02828	0.5
121.06477	1.4
122.05991	2.1
122.06882	0.7
122.94207	0.5
123.04413	17.6
123.05485	1.1
123.06747	0.5
123.08056	1.0
124.07569	1.6
124.08685	0.5
125.02323	0.6
125.06098	0.4
125.07105	1.3
126.05486	0.4
127.01578	0.5
133.02835	1.1
134.07106	0.4
134.99619	2.4
135.04436	1.0
135.99934	0.9
136.07556	100.0
137.02780	0.3
137.05962	7.0
137.07010	0.7
137.07899	2.9
137.09616	1.0
138.05472	0.9
138.09056	0.4
139.03860	0.9
139.07462	0.5
139.34724	0.4
140.03401	0.8
140.04630	1.4
140.07008	1.2
140.08153	1.5
141.01775	0.6
141.06610	0.5
142.03552	0.5
146.06001	1.0
146.99593	0.7
147.04376	7.7
150.05478	4.1
152.07047	0.8
153.05437	0.9
153.06911	0.7
154.08580	1.4
154.09714	0.5
155.06995	0.8
155.08487	0.4
158.99643	0.9
160.04497	0.7
164.04277	0.4
164.06969	3.8
164.07857	0.5
164.10593	0.5
165.05458	11.6
165.06654	0.4
165.09100	0.7
166.09755	0.4
166.98650	0.7
168.09320	1.0
170.40291	0.4
177.00633	1.8
181.97874	0.5
182.00911	1.2
182.04259	2.2
182.05832	0.6
182.08032	10.5
182.11549	0.6
183.02898	0.8
183.06552	3.4
183.08040	0.7
183.10078	1.0
183.11708	1.0
200.51579	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01857	1.1
55.05508	0.6
56.96558	8.6
57.03429	2.5
58.99841	0.9
59.04985	0.5
61.02914	1.6
65.03929	0.9
67.05494	1.0
67.63143	0.2
69.03421	3.4
69.64804	2.0
70.98109	0.7
70.99837	0.6
71.01343	0.5
71.04975	0.8
73.01407	0.3
73.02917	1.8
73.06527	0.2
77.00880	1.0
77.03903	0.5
78.95255	0.3
79.05473	2.1
80.04998	0.3
80.05815	0.8
81.03404	2.6
81.07048	1.2
82.01448	0.4
82.03713	0.3
83.01323	0.4
83.04955	1.6
84.04487	0.7
84.08107	0.3
84.96031	0.9
85.02888	3.8
87.04423	0.4
87.53445	0.3
88.33968	0.3
88.99161	0.4
89.00890	0.3
91.02450	0.9
91.05467	46.8
92.01291	0.3
92.05792	1.1
93.07034	0.8
94.04120	0.4
94.06554	0.5
95.01906	0.4
95.04954	20.9
96.05293	0.8
97.02278	0.2
97.02872	4.4
98.01285	0.6
98.03126	0.6
98.97562	4.9
99.04461	0.7
100.02475	2.6
101.00866	1.5
101.02550	0.3
102.01553	0.4
103.02446	0.5
103.05468	1.6
105.00340	0.4
106.06529	0.6
107.00106	0.2
107.01820	0.4
107.04939	3.0
108.04501	0.3
108.05215	1.2
108.08105	1.2
109.02872	1.0
109.03529	0.3
109.06494	2.8
110.01285	0.5
110.02106	0.3
110.97473	0.6
111.02914	0.5
111.04424	0.5
113.00842	0.9
115.00634	0.3
115.02389	1.1
116.98605	3.0
117.02026	0.4
118.03515	2.0
118.06524	2.2
119.01907	5.0
119.04926	45.6
119.97934	0.4
120.01875	0.4
120.02580	0.7
120.05244	1.4
121.01608	0.5
121.05095	0.6
121.06497	1.4
122.06026	0.6
123.04414	56.1
124.04727	1.8
124.99092	0.3
126.98782	0.6
127.03982	0.8
128.02246	0.5
128.98613	1.2
129.02205	0.5
129.03081	0.3
129.03970	0.7
131.00201	0.5
131.01875	4.9
133.01617	0.7
133.03461	2.2
134.05994	0.6
134.99635	0.9
136.07556	100.0
137.02875	1.0
137.05942	1.7
137.07928	3.2
138.05421	0.4
138.23753	0.3
140.05075	0.3
140.98634	0.3
142.03485	1.0
143.00162	0.6
143.01888	0.7
144.99814	4.0
145.03430	1.1
145.99983	0.4
146.06056	0.3
146.99612	0.8
147.01372	0.5
147.03178	1.2
147.04349	16.9
148.03737	0.3
148.04803	0.7
149.02954	1.2
151.04514	0.3
152.07018	0.6
154.03447	1.7
155.01826	0.6
157.03450	0.6
158.03667	0.3
158.99654	2.3
159.01324	1.2
159.03244	1.0
159.05046	1.1
160.04530	1.9
161.01128	0.4
161.02917	1.4
161.04472	0.5
161.05644	0.6
162.05515	0.3
163.00890	0.8
163.96722	0.3
164.04396	0.3
164.05656	6.7
164.07053	2.8
165.05452	27.2
166.05855	0.7
168.01442	1.5
170.03596	0.2
170.05173	1.1
172.04585	0.4
173.01231	0.4
173.02974	0.8
177.00703	2.4
177.02426	4.2
177.04144	0.3
177.06096	0.6
178.02542	0.5
178.05626	0.5
181.97810	0.4
182.02901	0.6
182.05278	0.5
182.06660	2.4
182.08119	9.5
182.11597	0.6
182.16541	0.4
183.04018	1.3
183.06488	0.7
185.02916	0.6
187.00215	0.4
192.04677	0.5
195.01743	0.5
195.03490	0.7
200.02249	0.4
200.04073	0.8
200.07661	0.3
201.00664	0.6
203.02321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83685	1.0
52.88232	1.0
53.03934	2.8
55.01856	3.9
55.05489	1.3
55.37558	1.0
56.71755	0.9
56.96540	4.9
57.03430	8.0
57.07027	1.3
58.99826	1.5
61.02903	4.6
65.03920	1.2
66.36053	1.1
67.40321	1.1
69.03424	9.6
69.42300	5.6
69.42728	5.8
71.04980	2.5
73.02582	1.2
73.02910	13.3
77.00880	2.0
79.05479	3.0
81.03380	5.2
81.07034	2.7
82.01426	1.2
83.04955	1.6
84.05724	1.0
85.02888	9.2
87.01840	1.4
88.02654	1.9
90.80306	1.1
91.04935	1.3
91.05474	23.0
92.05830	1.0
93.01864	1.6
94.02643	1.5
95.04962	10.0
96.02406	1.9
97.02877	14.3
98.03972	1.2
98.97577	5.1
99.04459	1.6
100.02485	3.9
100.11246	1.8
101.00880	5.8
102.02357	2.1
103.02435	1.2
107.04944	2.4
109.02877	3.3
109.06485	3.4
111.02908	5.1
113.00831	1.6
114.02380	1.3
115.02372	2.4
115.03111	1.2
116.98619	1.4
118.03577	1.9
118.06520	2.4
119.01900	14.4
119.04929	24.5
121.01632	1.1
121.06461	1.2
123.02958	2.3
123.04418	29.8
127.03905	3.9
129.02954	2.1
129.03963	2.1
131.01886	13.0
132.03429	3.3
133.01732	1.2
133.03455	5.8
136.07559	53.5
137.02916	2.4
137.05994	2.9
138.03398	1.8
142.03481	1.9
143.01895	6.8
144.03493	1.3
144.99843	6.5
145.03465	5.4
147.01468	1.4
147.04265	9.0
149.02924	3.0
153.03984	1.8
154.03447	2.3
155.01826	6.5
157.03426	4.0
158.01321	1.2
158.99660	1.3
159.01414	1.6
159.03152	2.3
159.05023	3.2
160.04509	1.4
161.02948	9.9
161.05540	2.5
164.05620	4.9
164.06967	2.2
165.05420	11.8
167.01910	1.3
168.01453	2.3
170.06042	2.4
173.02933	11.4
175.04536	1.8
177.00867	1.7
177.02415	4.9
177.04160	1.1
177.06139	1.6
182.05754	100.0
182.08096	12.6
182.16617	1.4
183.06203	2.5
185.02917	8.6
197.02954	1.5
203.03986	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	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03937	2.2
55.01855	2.9
55.05510	5.7
57.03403	1.0
57.04551	3.1
57.07064	33.4
59.04980	4.4
61.05637	0.9
61.86126	0.8
63.46028	0.9
67.05492	1.9
69.03424	2.4
69.07058	5.7
70.76628	0.8
71.06094	1.1
79.05482	14.6
81.03409	11.3
81.07051	5.9
82.06630	1.2
83.04967	83.8
84.05316	2.3
84.08156	0.9
85.06573	1.2
91.05473	6.8
93.07033	14.0
95.04954	26.7
95.08616	1.9
97.06515	43.3
98.21487	1.9
98.97569	1.5
99.05566	42.9
105.07001	9.7
107.04968	3.1
107.08578	19.5
108.00945	0.8
109.06508	2.5
116.98630	1.5
117.07014	2.5
119.08549	5.9
121.06518	4.6
121.10117	16.7
123.08003	1.9
123.09289	1.0
125.05973	76.9
126.06361	1.4
129.06923	0.9
130.07776	3.6
134.99608	1.0
135.04427	1.1
135.08163	1.0
135.11664	9.5
139.09760	1.9
143.08560	1.1
145.10095	17.8
148.08939	1.0
152.01031	1.1
163.03943	2.1
163.11156	100.0
164.11543	3.4
166.98587	0.9
181.04944	3.0
181.06392	1.1
181.08609	1.3
181.10762	5.1
181.12181	25.2
182.05763	2.9
182.08159	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.02356	0.5
53.03932	2.1
55.01862	2.3
55.05508	4.8
56.23202	0.5
56.96553	1.1
57.03426	0.9
57.07061	1.9
59.04980	1.9
63.02345	0.5
65.03931	3.2
67.05501	6.4
69.03424	6.7
69.07064	4.3
71.04986	2.8
71.15499	1.0
71.15844	0.9
79.05483	18.4
81.03400	1.2
81.07049	6.1
82.04192	1.6
83.04980	7.4
83.08612	5.6
85.02889	1.7
85.06521	1.8
89.03910	16.9
91.05464	6.2
93.03393	1.2
93.07036	12.7
95.04955	8.4
95.08591	6.3
97.02888	2.9
97.06520	16.7
97.43923	0.5
98.97567	5.0
103.05447	1.0
105.04502	1.0
105.07010	5.9
107.04948	9.0
107.08586	12.2
108.02100	0.7
109.06507	2.1
109.10133	2.7
110.03621	1.2
111.04427	4.8
111.08067	3.1
116.98602	5.6
117.03370	20.2
117.07009	1.4
119.04943	1.2
119.05985	0.6
119.08559	2.8
121.06504	3.5
121.10132	33.3
122.07175	1.2
122.10437	1.2
123.08057	43.5
124.08401	0.9
125.05981	6.2
125.09595	0.8
130.07776	0.9
134.99672	4.0
135.04404	40.3
135.08028	1.7
135.11665	7.7
136.04730	1.2
136.07582	1.1
137.05995	1.1
137.09596	4.3
138.03101	0.5
139.03874	1.2
139.07503	0.7
139.09744	0.8
139.11182	1.1
140.07065	0.9
140.08162	0.9
145.01682	1.1
145.02841	21.6
145.10114	4.5
146.03169	0.8
148.05167	0.7
149.05927	1.1
153.05484	2.0
153.06744	0.6
153.09114	0.6
163.03891	100.0
163.11171	8.7
163.14825	1.5
164.04236	4.6
164.06995	1.0
165.06989	0.7
171.06445	0.8
181.03336	0.9
181.04941	10.6
181.06419	1.2
181.08589	2.7
181.10028	0.6
181.10718	1.2
181.12206	8.7
181.15936	0.6
182.00966	0.6
182.08060	0.7
186.05499	1.0
191.41640	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.45960	0.7
53.03960	2.5
55.01869	3.4
55.05508	5.1
56.96562	1.0
57.03447	2.2
57.07066	25.2
59.04992	3.5
59.06122	0.7
65.03925	3.5
67.05492	6.7
68.05062	1.1
69.03417	4.1
69.07056	5.5
70.14277	2.9
71.04961	3.3
79.05479	15.7
81.03398	6.1
81.07047	9.2
82.04220	2.1
83.04966	48.8
83.08607	1.2
84.05302	0.8
85.02927	2.3
85.06561	2.3
89.03932	2.2
91.05478	11.0
93.03401	1.1
93.07031	19.6
93.07580	1.1
95.04948	23.5
95.08577	5.0
97.02914	2.0
97.06513	28.9
97.10207	1.0
98.97556	6.9
99.05599	0.7
101.83011	0.6
103.05464	2.8
105.04527	0.9
105.07008	9.2
107.04951	5.8
107.08569	21.4
108.02088	0.9
109.06494	4.5
109.10163	1.5
110.03665	2.2
111.04436	2.8
111.08075	2.2
111.39852	0.6
116.98605	7.7
117.03381	3.1
117.06999	3.8
119.08561	6.2
121.06489	9.4
121.07336	1.1
121.10124	27.2
121.10963	1.6
123.04443	1.9
123.05545	1.1
123.08056	7.5
123.11667	0.8
125.02330	3.3
125.05971	69.7
125.09633	1.0
125.92097	0.7
130.07796	2.4
132.83968	0.7
133.06512	1.0
133.10143	0.7
134.99619	5.2
135.04373	8.8
135.08015	5.2
135.11674	11.7
136.07581	1.6
136.08638	0.9
137.05968	2.9
137.09583	2.5
138.03154	0.9
138.06688	1.4
139.03893	1.6
139.07542	2.1
139.09689	1.0
139.11176	1.3
140.04645	1.1
140.08165	1.5
142.02592	0.7
143.08583	1.0
145.02838	2.7
145.10094	13.5
148.05144	6.0
149.05966	2.2
151.03925	1.2
153.00674	1.0
153.05444	2.1
153.12706	0.9
163.03879	17.6
163.07552	1.7
163.11154	100.0
164.07039	1.4
164.11523	4.4
166.07625	0.9
171.06537	1.7
181.04939	15.6
181.06453	1.4
181.06836	1.0
181.08603	17.6
181.12195	32.4
181.15736	1.2
182.00879	0.8
182.08038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.98281	0.6
53.03929	1.7
55.01851	2.4
55.05491	3.2
56.96548	1.0
57.03422	1.3
57.07069	21.2
59.04980	2.8
62.18286	0.6
64.55034	0.7
67.05482	3.0
69.03403	1.5
69.07057	5.0
79.05488	11.5
81.03406	6.2
81.07042	5.5
83.04971	48.9
91.05448	4.0
91.06298	0.7
93.07040	8.3
95.04958	18.8
95.08572	2.1
97.06518	27.5
98.97551	2.5
105.07015	6.5
107.04934	3.0
107.08580	11.3
109.06519	1.6
115.37314	0.7
116.98605	5.6
117.06989	2.3
119.08585	4.0
121.06488	3.1
121.10133	14.2
123.08043	1.2
125.05975	63.3
126.06300	1.8
130.07784	2.1
134.99631	6.3
135.04404	2.1
135.08098	1.4
135.11659	6.7
137.09612	1.0
140.00116	1.1
143.08530	0.8
145.10109	13.0
153.00764	1.6
153.05438	1.4
158.01250	2.1
163.03922	2.4
163.11162	100.0
164.11522	2.7
165.07016	1.0
166.07742	1.1
181.04921	3.3
181.08672	1.2
181.10172	1.9
181.12218	28.9
181.13821	1.8
182.00850	1.0
182.04369	0.7
182.05783	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	181.122
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03942	1.5
55.01864	1.6
55.05522	3.2
57.07066	24.1
59.05005	2.8
63.26766	0.6
67.05518	2.5
69.03446	2.1
69.07070	3.1
69.51443	4.3
69.51850	1.7
79.05482	11.5
79.05923	0.9
81.03403	6.3
81.07039	5.9
83.04966	47.1
85.06521	0.8
90.41882	0.7
91.05483	3.5
92.29736	0.8
93.07026	9.6
95.04949	18.0
95.05505	1.2
95.08604	1.3
96.08148	0.7
97.06515	26.6
98.21494	1.6
98.97569	1.7
105.07001	7.0
107.04955	2.6
107.08579	11.3
109.06492	1.4
116.98648	2.8
117.07002	2.9
119.08575	3.6
121.06518	2.3
121.10125	13.8
123.08041	1.1
125.05972	64.2
126.06287	1.5
130.07779	2.5
134.99634	2.9
135.04417	1.1
135.08098	1.1
135.11652	8.6
145.10101	12.4
157.51703	0.7
163.03943	2.1
163.11157	100.0
164.11525	2.7
166.07623	0.8
181.04947	1.7
181.10008	1.5
181.10316	1.1
181.12199	29.6
182.12505	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03934	0.5
54.06425	0.4
55.01854	0.5
55.05504	2.2
56.96558	1.9
57.03440	0.6
57.07063	2.0
59.04996	3.2
67.05486	2.7
69.03404	1.6
69.07064	3.7
69.36889	4.1
69.37305	0.9
73.02917	0.5
77.39551	0.4
79.05486	6.7
81.06600	0.6
81.07042	7.5
83.04961	1.6
83.08585	0.8
83.62587	0.4
89.03890	1.0
91.05477	3.3
93.07030	18.7
94.07329	0.5
95.04942	1.4
95.08594	16.1
97.06522	2.7
98.97573	8.3
104.25494	0.4
105.07024	3.0
107.04924	1.8
107.08578	33.5
108.08897	0.9
109.06482	1.0
109.10125	2.6
111.04387	2.0
111.08066	1.3
116.98603	7.2
117.03352	1.6
117.06999	1.3
119.08580	4.5
121.06498	5.9
121.10126	17.5
123.08032	3.8
125.05994	3.5
130.07776	1.0
134.99632	4.2
135.04362	2.9
135.08043	1.2
135.11673	42.2
136.11995	1.2
137.09561	0.5
137.13228	1.0
139.07520	7.7
140.00159	0.6
145.02824	1.5
145.10106	10.9
146.10435	0.5
153.12712	2.3
158.01259	0.4
163.03888	7.1
163.11163	30.0
164.11481	0.6
181.12210	100.0
182.12503	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	181.122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35041	0.5
53.03922	1.7
55.01853	2.3
55.05501	7.4
56.05015	0.7
56.96553	1.4
57.03408	1.2
57.07069	4.1
57.92812	0.6
59.04997	3.8
59.06120	0.7
63.02343	0.7
65.03928	4.0
66.74348	0.6
67.05491	7.3
68.04996	0.6
68.99772	1.3
69.03419	10.3
69.07055	8.6
70.92011	1.5
71.04970	2.6
71.43206	0.6
75.39388	0.6
77.03921	1.1
79.01822	0.7
79.05478	18.4
81.03394	2.4
81.07040	12.5
82.04165	1.7
83.04966	10.2
83.06067	0.8
83.08601	8.6
85.02866	2.3
85.06503	1.0
89.03357	1.2
89.03903	19.6
91.05456	9.4
93.03384	1.9
93.07028	17.4
95.04958	10.7
95.06051	0.9
95.08592	9.3
97.02878	17.7
97.06517	38.9
97.10128	2.0
98.97569	6.4
100.11253	1.9
103.05456	2.1
105.04532	0.9
105.07019	6.9
107.04943	11.1
107.08578	12.6
108.02104	0.6
109.06489	4.0
109.10142	6.7
110.03578	0.6
111.04420	6.9
111.08065	4.8
116.98609	8.0
117.03363	20.3
117.06998	1.7
118.03671	0.7
119.08567	4.6
121.02854	1.8
121.06483	7.2
121.10123	31.9
122.07207	2.8
122.10431	1.2
123.04414	1.4
123.08053	19.8
124.08466	0.7
125.05971	15.1
125.06892	1.0
126.06370	0.8
130.07819	0.8
134.99634	5.5
135.04396	42.7
135.08043	4.7
135.11668	13.5
136.04784	0.9
136.07532	3.8
136.08470	0.6
137.05956	2.2
137.09593	9.1
138.03093	1.3
139.03844	2.4
139.07535	2.1
139.11150	8.4
140.00253	0.7
140.08173	1.8
145.02821	22.7
145.10083	5.1
146.03110	0.8
149.05956	1.7
151.03880	2.2
153.05444	6.8
153.09030	1.2
153.12712	1.5
163.03877	100.0
163.07547	1.5
163.11148	13.0
164.04205	4.0
164.06990	2.5
166.07744	1.1
171.06522	1.3
175.96727	0.5
180.65865	0.5
181.04930	13.7
181.06412	1.3
181.08572	3.0
181.09926	0.8
181.10596	1.1
181.12207	15.0
182.05521	0.6
182.08081	1.2
182.19019	5.6
186.05457	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0857
Annotation	10-hydroxy-2E,8E-Decadiene-4,6-diynoic acid
Peak:m/z	Relative Intensity
51.02365	1.2
53.03922	5.0
55.01862	11.7
55.05508	8.0
56.05022	3.0
56.96567	7.8
57.03413	4.3
57.07042	3.3
59.04979	1.6
59.06093	4.0
60.04498	1.2
65.03924	11.7
67.05198	1.0
67.05497	13.7
68.05022	6.1
69.03421	16.9
69.07061	7.5
69.59060	4.4
69.59493	5.6
70.06565	4.9
71.01317	1.8
71.04959	4.8
71.05327	1.0
72.08131	1.9
73.02908	1.7
74.06071	2.0
75.04444	1.2
77.03889	2.3
79.05480	43.0
80.04993	3.2
81.03387	4.8
81.04527	2.5
81.06688	1.1
81.07043	12.6
82.04163	1.3
82.06556	2.5
83.04980	8.7
83.06099	5.7
83.08592	1.6
84.04473	2.1
84.08100	1.5
85.02877	9.1
85.06511	2.4
85.07639	1.8
86.25842	1.1
89.03908	12.5
91.05466	59.0
93.03374	2.5
93.07029	48.2
94.06554	1.6
95.04952	36.5
95.06039	5.4
95.08585	8.8
96.06870	1.2
97.02870	2.9
97.06516	24.2
97.07623	5.8
98.07162	1.6
98.97562	20.8
99.04425	1.5
99.05535	4.1
103.05449	5.7
105.04487	3.3
105.07007	19.2
107.04945	18.4
107.08579	62.7
108.04504	1.3
108.05685	1.4
108.08901	1.3
109.02807	1.4
109.06503	17.9
109.07625	3.3
109.10125	4.0
110.03658	2.1
110.06023	2.9
111.04435	7.7
111.08056	18.7
114.06649	1.5
114.53775	1.1
115.05431	9.9
116.98602	27.9
117.03347	13.4
117.07002	24.3
119.04922	18.7
119.05948	1.8
119.08591	6.3
120.05702	1.3
121.02834	4.7
121.06487	44.0
121.10134	17.0
122.06042	1.8
122.07091	7.5
123.04399	5.8
123.05484	3.3
123.08022	5.4
124.07680	1.2
124.08672	3.5
125.02360	2.0
125.05963	10.0
125.07011	1.8
125.09585	3.5
130.07721	1.3
132.04414	1.9
133.02888	1.6
134.99638	39.4
135.04408	36.8
135.08029	100.0
135.11647	9.2
136.04851	1.4
136.07515	4.5
136.08525	5.4
137.05949	11.5
137.06949	1.8
137.09586	4.3
138.06616	2.1
139.03915	6.1
139.07533	27.0
139.09714	2.4
139.11140	2.2
140.00186	2.0
140.08206	6.8
145.02817	17.7
145.06453	10.6
145.10063	6.2
146.07019	1.7
148.05148	3.2
149.05942	6.8
151.07495	3.2
153.00700	6.6
153.05424	4.2
153.07272	1.3
153.09096	6.4
154.08560	2.4
158.01228	4.1
163.03883	80.4
163.07521	88.6
163.11139	14.7
164.01605	1.2
164.04196	4.0
164.06836	2.0
164.08028	4.2
165.06989	1.9
166.06210	3.1
166.07622	1.5
171.06505	2.4
178.04918	5.2
181.01320	1.3
181.05034	23.5
181.06639	3.2
181.08556	51.9
181.10709	8.0
181.12068	14.9
181.13974	1.5
181.14445	1.7
181.15807	1.7
182.08073	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.3
54.30248	0.4
55.01849	1.5
55.05502	1.9
57.03435	1.9
57.07053	0.7
63.02367	0.6
65.03929	2.7
67.05499	2.6
68.04975	0.4
69.03397	1.2
69.07038	1.2
71.04964	0.8
77.03901	0.4
79.05482	7.5
81.03400	0.4
81.07043	2.9
82.04169	0.7
82.41669	0.4
83.04961	2.4
83.08579	0.5
84.80899	0.3
85.02879	1.5
85.06538	0.5
89.03903	15.9
91.05462	4.6
93.03393	0.9
93.07033	6.2
94.07355	0.4
95.04949	4.3
95.08614	1.6
95.92557	0.4
96.11964	0.3
97.02856	0.9
97.06532	2.5
98.97569	2.6
103.05447	0.7
105.06996	1.0
107.04940	7.5
107.08576	3.8
108.02049	0.8
109.06514	1.9
109.10112	0.9
110.03587	0.7
111.04437	2.3
111.08057	0.8
116.63660	0.4
116.98596	3.0
117.03358	18.5
117.07006	0.8
119.04926	0.6
119.08551	1.4
121.02818	0.4
121.06491	2.8
121.10123	6.2
122.07104	0.6
123.04379	0.9
123.08008	1.4
123.09978	0.4
125.05970	2.7
125.09641	0.6
134.99648	2.6
135.04393	39.0
135.07961	1.7
135.11649	2.9
136.04721	1.2
136.07538	0.6
137.05945	0.6
137.09613	0.7
138.03107	0.6
139.03873	1.4
139.07504	0.4
139.13107	1.0
140.08133	0.7
142.02614	0.5
145.02827	22.4
145.10059	1.7
146.03177	0.7
149.05945	1.2
151.07445	0.4
152.02873	0.3
153.00771	0.4
153.05434	1.4
153.06906	0.4
153.09056	0.8
158.01216	0.4
163.03876	100.0
163.11143	5.6
163.14784	0.5
164.04225	2.5
164.06990	0.6
165.06998	0.6
166.07765	0.7
171.06470	1.0
181.04938	7.9
181.06339	0.4
181.08647	2.3
181.09982	0.7
181.10760	0.5
181.12215	3.0
181.13725	0.6
181.15819	0.8
186.05495	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0493
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03947	1.3
55.01861	1.4
55.05510	0.9
56.96558	1.5
57.03437	0.4
57.07071	0.7
59.05003	0.3
63.02365	0.7
65.03931	1.8
67.05499	2.2
68.99783	0.3
69.03426	1.2
69.07066	0.8
71.04990	0.5
71.24915	0.3
71.25240	0.5
79.05480	6.9
81.03426	0.7
81.07051	3.1
82.04193	0.4
83.04978	2.9
83.08617	0.5
85.02889	0.8
85.06521	0.7
89.03908	19.3
89.08452	0.3
90.04253	0.3
91.05472	4.7
93.03399	0.9
93.07037	4.4
95.04955	4.9
95.06137	0.3
95.08590	1.8
97.02930	0.6
97.06508	2.2
97.10181	0.4
98.97570	6.7
99.08018	0.3
103.05456	1.0
105.04501	0.5
105.07010	1.2
106.04173	0.4
107.04938	8.3
107.08588	4.3
109.06510	0.9
109.10115	0.5
110.03658	0.6
111.04424	2.3
111.05628	0.3
111.08063	0.8
116.98608	8.8
116.99388	0.6
117.03370	20.1
117.06998	0.8
118.03695	0.5
119.04947	0.9
119.08588	0.9
121.02866	0.4
121.06499	3.6
121.10133	4.4
123.04392	0.6
123.08036	0.9
125.05988	4.0
125.09660	0.4
127.26656	0.3
134.99648	10.2
135.04399	43.9
135.07979	1.9
135.11656	1.8
136.04793	0.9
136.07610	0.5
137.02264	0.3
137.05948	0.8
137.09590	0.5
138.03128	0.3
139.03888	1.3
139.07556	0.5
140.00133	0.5
145.02831	25.5
145.10106	1.8
146.03212	0.6
148.05174	0.3
149.05957	1.2
150.30205	0.3
153.00719	2.5
153.05434	1.4
153.06995	0.5
153.09105	0.5
158.01242	1.1
158.05995	0.6
163.03882	100.0
163.11131	5.1
163.14803	0.5
164.04236	3.1
164.07092	1.0
165.06952	0.9
166.06387	0.4
166.07742	1.2
171.06558	0.4
181.04927	6.4
181.06512	1.3
181.08649	3.2
181.10135	1.7
181.12148	3.7
181.13582	0.4
181.15758	0.7
182.00946	0.4
182.08099	0.7
186.05504	1.0
189.80798	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0492
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03943	0.6
54.14827	0.2
55.01860	0.4
57.03429	0.3
60.28848	0.3
63.02377	0.6
65.03929	1.2
67.05499	0.6
71.02692	0.6
77.03912	0.4
79.05479	3.6
81.07059	0.9
83.04964	0.6
85.02893	0.5
89.03905	16.9
90.04267	0.5
91.05462	2.3
93.03402	0.6
93.07033	1.6
95.04964	1.6
95.08596	0.5
96.44745	0.2
97.02869	0.3
97.06486	0.3
98.97557	1.0
103.05477	0.3
105.06990	0.3
106.04171	0.3
106.24924	0.2
107.04946	6.2
107.08569	1.4
109.06567	0.3
109.10111	0.4
111.04423	0.9
116.98590	0.6
117.03364	19.1
118.03702	0.3
119.04897	0.6
121.06469	1.6
121.10136	0.9
123.08073	0.5
125.06001	0.9
125.09603	0.5
134.03673	0.3
134.99664	0.6
135.04398	39.8
135.11615	0.4
136.04723	0.6
139.03876	1.0
145.02827	23.2
146.03174	0.6
149.05978	0.8
149.19693	0.2
153.05396	0.3
158.05991	0.3
163.03879	100.0
163.11172	1.0
164.04213	2.7
171.06458	0.3
181.04988	2.1
181.06369	0.5
181.08601	1.1
181.10112	0.4
181.12209	0.8
182.17654	0.2
186.05495	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0491
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03930	0.9
55.01857	0.9
55.05489	0.4
57.03434	0.5
57.07062	0.4
59.29876	0.3
63.02377	0.6
65.03931	1.8
67.05489	1.1
69.03400	0.8
69.07042	0.5
70.19860	1.9
71.04944	0.4
79.05477	5.1
81.03396	0.5
81.07047	2.1
81.72826	0.4
83.04971	1.3
85.02861	0.7
88.15233	0.4
89.03905	18.0
91.05457	3.0
93.03368	0.6
93.07051	2.5
95.04952	2.7
95.08578	1.0
97.02873	0.7
97.06527	1.1
98.97549	1.5
105.06994	0.9
107.04944	7.0
107.08578	2.7
109.06483	0.4
110.03644	0.5
110.37590	0.4
111.04440	1.7
116.98618	1.9
117.03363	20.2
117.07028	0.5
118.03744	0.4
118.74257	0.4
119.04893	0.4
119.08590	0.6
121.06454	0.8
121.10101	2.9
121.34915	0.3
123.07986	0.6
125.05968	1.4
134.99646	0.7
135.04395	42.4
135.08032	1.4
135.11681	1.1
136.04759	1.2
136.07536	0.8
136.33963	0.4
138.03137	0.6
139.03900	1.0
140.08176	0.4
145.02826	25.3
145.10089	0.9
146.03212	0.6
153.05426	0.4
163.03880	100.0
163.11150	3.0
164.04222	3.1
164.07050	0.8
165.06929	0.5
166.07695	0.4
171.06544	0.5
181.04959	3.7
181.06497	0.6
181.08656	1.7
181.10097	0.7
181.12090	1.8
181.15689	0.4
182.15378	0.4
186.05502	0.5
186.71594	0.4
199.62418	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03924	2.0
55.01853	2.6
55.05503	8.6
57.03425	7.8
57.07066	1.3
65.03924	0.9
67.05494	39.8
69.03397	3.0
69.07062	9.8
70.07328	0.7
71.04990	3.9
71.47528	0.9
71.47853	1.4
75.92461	0.8
77.03924	1.1
79.05483	28.4
81.07044	100.0
82.07362	1.3
83.04969	5.4
83.08605	4.0
85.06530	8.9
91.05467	31.3
92.05762	0.9
92.52313	0.8
93.07033	41.3
95.04964	4.0
95.08593	79.6
96.08910	1.1
97.06516	19.3
99.08084	11.1
101.19971	0.7
105.07015	36.9
106.07371	1.1
107.08582	19.5
109.06512	5.9
109.10143	6.0
111.08029	5.0
117.07010	1.9
119.08566	57.3
120.08887	1.5
121.10127	17.9
123.08057	8.3
130.13179	0.9
131.08536	1.3
133.10112	34.0
134.10425	1.3
135.11678	35.7
137.09615	4.1
137.13202	2.4
151.11176	2.0
151.14812	1.7
156.85948	1.0
159.11597	1.2
161.13240	93.8
162.13573	2.9
179.03358	1.2
179.14287	91.7
180.14645	2.6
191.36298	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02378	0.8
53.03926	3.4
55.01863	8.9
55.05238	1.2
55.05500	21.3
56.05014	1.5
56.96558	1.1
57.03424	8.2
57.06836	0.8
57.07063	10.7
59.04990	5.3
59.06118	1.6
65.03915	2.9
67.05494	43.2
68.05012	4.2
68.99773	1.3
69.03416	11.6
69.04504	1.7
69.06679	1.4
69.07053	22.8
69.57038	2.0
69.57459	5.7
70.06573	1.3
70.07394	1.1
71.01336	1.5
71.04961	3.8
71.08610	4.9
73.06509	1.1
77.03873	1.4
79.05483	21.5
80.05009	1.3
81.03410	4.1
81.04512	2.4
81.07039	39.5
82.06577	1.4
83.04966	56.6
83.06054	3.4
83.08590	8.4
85.06522	5.1
89.03868	1.6
91.05462	36.4
92.05748	1.1
93.04492	1.2
93.07031	33.0
94.06536	1.4
94.07340	1.3
95.01293	1.0
95.04957	39.0
95.06046	8.5
95.08588	100.0
96.04456	0.8
96.05610	1.5
96.08909	3.3
97.02830	0.8
97.03976	1.4
97.06489	3.4
97.07602	1.9
97.10141	3.5
103.05444	4.7
105.03370	4.6
105.04505	1.3
105.07011	60.2
106.06551	1.9
106.07317	1.6
107.04910	3.5
107.08572	42.3
108.04459	3.4
108.05658	3.6
108.06920	0.8
108.08836	1.4
109.02829	3.0
109.06502	32.1
109.07642	2.3
109.10140	53.4
110.06046	1.1
110.07108	2.7
110.10431	1.4
111.08024	3.4
112.07571	1.2
115.05418	4.1
117.06986	5.0
118.07816	1.4
119.04921	17.6
119.05832	1.2
119.08563	38.8
120.05540	3.2
120.08072	1.1
121.06478	9.5
121.10125	26.3
122.07185	3.1
122.10405	1.0
123.04421	13.7
123.05313	1.6
123.08047	44.9
123.10844	1.5
123.11658	9.8
124.08769	2.6
128.06212	1.7
131.04855	1.3
131.08559	4.0
133.02835	5.8
133.06468	22.3
133.10106	52.0
134.05978	1.8
134.07043	2.3
134.09520	1.2
134.10458	1.2
135.04359	2.3
135.05444	0.8
135.08055	5.5
135.11664	17.6
136.05151	3.2
136.08749	3.9
137.05975	9.4
137.08197	12.4
137.09578	34.9
137.10649	1.9
137.13237	6.7
138.05547	1.0
138.06586	2.2
138.09131	1.2
138.10193	1.1
139.07393	1.2
141.05434	1.1
143.08548	3.3
146.07224	3.3
147.04402	19.5
147.07980	0.8
148.04710	1.0
149.05954	2.0
150.10269	1.1
151.03900	5.5
151.06416	1.2
151.07512	5.9
151.11176	8.3
151.14792	31.3
152.06992	3.5
152.08153	3.9
152.15157	0.8
161.02330	1.4
161.05959	15.3
161.08218	1.4
161.09586	24.1
161.13239	22.3
162.05374	1.3
162.06564	2.4
162.09048	2.1
162.10254	1.1
162.13548	1.1
163.07477	1.0
165.09100	1.3
167.74101	0.9
179.01762	1.3
179.03372	28.2
179.07103	22.2
179.09233	5.1
179.10637	74.1
179.14268	84.2
180.03813	1.3
180.06407	5.3
180.09909	1.2
180.11157	1.7
180.14642	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48985	1.0
51.66520	1.1
53.03927	3.8
53.41972	1.2
55.01852	5.0
55.05505	19.6
57.03436	5.9
57.07055	4.7
58.38452	1.0
59.04991	2.3
59.96724	1.1
65.03919	3.2
67.05495	85.2
67.58829	1.1
68.05830	1.6
69.03419	7.4
69.07066	12.9
70.90588	3.9
71.04654	1.0
71.04964	6.2
71.20300	1.0
79.05483	26.9
81.03420	5.9
81.07046	68.0
83.04963	4.1
83.08595	5.0
85.06540	2.6
85.10161	1.4
91.05468	24.4
93.07037	28.6
95.04955	21.3
95.08595	100.0
96.08936	1.5
97.06506	3.8
98.98457	1.7
105.07018	30.4
107.04940	1.3
107.08584	32.6
109.06497	13.4
109.09400	2.4
109.10141	47.9
111.08084	2.4
117.07002	3.5
119.04916	4.7
119.08566	28.3
120.08856	1.3
121.06486	1.9
121.10135	9.6
123.04401	4.7
123.08050	20.9
123.11649	2.1
131.08493	1.2
133.02878	2.3
133.06479	6.0
133.10100	18.7
135.11668	7.7
137.09596	19.7
137.13243	2.1
147.04373	6.3
147.55472	1.0
151.03929	3.4
151.11166	2.8
151.14792	9.6
152.15190	1.1
161.05951	4.4
161.09607	4.5
161.13251	19.8
162.09088	1.4
179.03377	16.9
179.06709	4.3
179.08519	3.1
179.10674	8.3
179.14288	57.0
180.03639	1.2
180.06496	2.8
180.10181	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03933	5.9
55.01865	6.9
55.05236	1.7
55.05503	31.6
55.49015	1.3
56.68211	1.4
56.96541	1.2
57.03426	12.6
57.07055	5.8
59.04982	1.8
65.03926	3.7
67.05493	60.8
69.03406	5.6
69.06690	1.9
69.07056	32.4
71.04984	8.4
71.70805	1.9
79.05480	34.4
80.68887	1.3
81.03401	4.8
81.07045	79.5
82.07356	2.1
83.04959	11.7
83.08591	6.4
84.92846	1.4
85.06526	4.4
91.05468	25.5
93.07033	38.2
95.04383	2.2
95.04955	21.8
95.08591	100.0
96.08913	1.6
97.06509	4.9
103.05435	2.4
105.03384	2.3
105.07011	39.1
105.62901	1.4
106.07335	1.9
107.04914	2.1
107.08574	36.8
107.40332	1.7
109.06496	22.2
109.10139	37.5
111.08070	7.1
117.06991	4.5
118.79925	1.4
119.04899	4.6
119.08558	31.8
121.06498	3.4
121.10126	12.5
123.04424	8.6
123.08047	34.9
123.11662	4.7
133.02806	5.3
133.06476	7.8
133.10110	18.8
135.11662	10.7
137.05959	1.4
137.09587	18.8
137.13193	2.0
147.04391	8.8
149.13315	1.5
151.03853	2.3
151.07468	2.4
151.11134	3.9
151.14777	6.3
152.07091	2.0
161.05980	7.7
161.09596	3.3
161.13234	27.0
166.87267	1.7
179.03378	25.3
179.07016	7.5
179.08299	1.3
179.10695	10.1
179.14285	59.1
180.06512	3.2
180.14571	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03920	2.0
55.01849	2.6
55.05496	9.6
56.83527	0.8
57.03429	8.9
57.07051	2.0
65.03925	1.9
66.05001	0.8
67.05495	46.9
69.03410	4.9
69.07059	11.3
71.04973	4.7
72.59373	0.7
77.03873	0.8
79.05478	27.3
81.07043	100.0
81.79145	0.7
82.07369	2.2
83.04967	6.4
83.08609	4.7
85.06528	8.4
91.05465	32.3
93.07033	35.3
94.07352	1.2
95.04960	5.3
95.08590	79.5
96.08929	1.0
97.06512	14.4
98.21516	1.2
99.08083	9.5
103.05442	1.1
104.80327	0.7
105.07013	35.9
106.07316	1.5
107.04887	1.2
107.08571	18.3
109.06501	7.9
109.10161	7.0
111.08046	7.1
113.09570	1.1
117.06977	2.8
119.04899	2.1
119.08562	50.9
121.06523	1.0
121.10133	14.2
123.04419	2.5
123.08044	9.5
123.11684	1.3
133.02861	1.6
133.06517	3.9
133.10112	31.4
135.04420	1.0
135.11671	23.9
136.05177	1.1
137.05981	1.1
137.09567	5.2
137.13239	1.9
147.04373	2.3
147.07983	0.8
149.05971	0.9
151.07524	3.3
151.14807	1.2
161.05959	2.5
161.13234	74.1
162.13577	1.9
179.03362	7.4
179.07121	5.0
179.10840	4.6
179.14282	83.7
180.14670	2.7
180.63344	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03933	2.4
55.01863	8.0
55.05497	9.6
57.03421	8.1
57.07058	2.0
59.04964	1.1
61.84055	0.6
65.03934	2.4
67.05495	44.1
68.05829	1.1
68.99779	1.3
69.03422	3.9
69.07056	14.4
69.07652	0.7
70.96510	0.9
70.96846	1.1
71.04985	6.6
73.14668	0.7
77.03908	1.9
79.05479	34.5
81.07042	100.0
82.07389	2.0
83.04963	7.8
83.08609	4.4
84.16334	0.7
85.06516	8.5
85.31811	0.6
89.03905	2.5
91.05465	43.7
92.05799	1.0
93.07027	44.5
94.07357	0.9
95.04956	7.1
95.08589	77.8
96.08936	1.7
97.06516	23.2
97.10157	1.2
99.08074	8.3
103.05434	2.1
105.03365	1.8
105.07012	53.5
106.07317	1.6
107.04984	1.5
107.08578	24.7
108.04479	1.8
108.08884	1.1
109.06501	9.7
109.10134	9.4
110.07159	0.7
111.08068	6.4
113.09609	0.9
115.05431	1.0
117.03394	1.4
117.06976	5.0
117.07636	0.6
119.04053	1.3
119.04913	12.4
119.08559	62.4
120.08084	0.8
120.08882	1.4
121.06489	1.7
121.10119	18.2
122.06009	0.8
122.10435	0.6
123.04412	13.0
123.08047	13.9
123.11677	2.1
126.41343	0.6
131.08524	2.3
133.02834	9.5
133.06450	6.9
133.10106	39.0
134.05975	0.9
134.06987	0.9
134.10483	1.2
135.04384	1.5
135.08005	2.0
135.11668	34.6
136.02193	0.9
136.05167	0.9
136.12010	0.8
137.05978	3.5
137.08214	3.0
137.09579	5.9
137.13231	2.7
138.06664	0.7
141.82092	0.6
146.03539	0.7
147.03325	2.6
147.04387	12.8
148.04790	1.0
149.06000	1.0
151.03912	4.5
151.06461	1.0
151.07542	2.6
151.11160	4.7
151.14758	1.6
152.07033	0.9
155.03455	0.7
159.11647	1.4
161.06006	4.2
161.09633	3.3
161.13231	84.9
162.09070	1.3
162.13596	3.8
164.03999	0.8
178.07875	0.9
179.03371	31.7
179.07173	7.8
179.08522	1.0
179.10765	6.1
179.14281	91.0
180.03773	1.7
180.06412	0.9
180.10266	0.8
180.14598	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1427
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03919	3.1
55.01861	4.6
55.05498	29.8
57.03198	1.9
57.03429	24.9
57.07075	2.1
59.04982	5.4
65.03923	2.4
67.05499	18.2
69.03416	6.1
69.07059	19.4
70.66208	1.8
79.05479	29.7
81.07042	54.3
83.04967	9.6
83.08582	7.0
85.06509	5.0
91.05462	32.6
93.07026	69.4
95.04942	12.5
95.08591	51.8
97.06512	6.5
99.08064	1.8
103.05380	2.1
105.04482	1.6
105.07014	64.6
105.07715	3.6
107.08569	81.6
108.04444	2.4
108.08931	3.1
109.06498	72.7
109.10140	20.2
111.08088	2.7
117.06979	5.0
119.04909	13.0
119.08562	46.6
121.06502	10.5
121.10123	67.6
122.10427	1.9
123.04398	6.2
123.07150	2.1
123.08042	43.9
123.11681	4.5
125.09617	22.9
131.08543	2.8
133.02805	2.6
133.06500	5.9
133.10106	75.9
133.11139	3.6
134.10495	3.5
135.11646	26.5
137.05939	5.1
137.08231	3.3
137.09579	8.6
137.13245	10.0
147.03362	2.9
147.04378	14.0
149.06036	1.9
151.07593	2.9
151.11166	4.9
161.05942	4.8
161.09592	14.9
161.13234	84.2
162.13620	3.5
179.03368	14.9
179.07150	8.8
179.09264	1.4
179.10654	49.8
179.14284	100.0
180.14713	2.3
191.60931	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1427
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03930	2.8
55.01865	7.0
55.05497	14.0
56.05021	1.1
57.03425	7.8
57.07054	3.7
59.04979	3.2
64.56862	1.1
65.03911	2.6
67.05495	25.3
68.05016	2.1
68.99772	1.2
69.03422	11.7
69.06698	1.3
69.07055	15.2
69.76318	8.2
70.06515	1.2
71.04967	2.5
77.03916	1.2
79.05481	21.0
81.03399	2.0
81.07042	40.9
83.04964	11.8
83.08619	7.0
85.02872	1.4
85.06519	4.3
89.03918	3.1
91.04925	1.6
91.05465	25.3
92.05775	1.3
93.07030	33.1
95.04955	16.9
95.06033	2.9
95.08590	52.7
96.08958	1.5
97.06493	5.2
99.08060	1.9
103.05453	2.8
105.03355	3.5
105.07011	47.4
105.07727	2.4
106.07323	2.1
107.04922	2.0
107.08574	30.3
108.04454	2.0
108.08890	1.4
109.06499	65.5
109.09402	1.6
109.10134	21.0
111.08058	3.3
112.07613	1.4
113.09571	1.0
115.05454	1.3
117.03360	1.2
117.06980	4.1
119.04904	9.9
119.08561	36.4
120.05505	1.6
120.08116	1.1
121.06509	6.3
121.10127	41.6
122.07270	1.4
122.10450	1.1
123.04424	8.5
123.08052	36.5
123.11659	5.4
125.09616	7.4
131.04893	1.3
131.08549	2.5
133.02844	6.2
133.06474	14.8
133.10107	35.2
134.06013	2.2
134.10452	1.4
135.08055	3.2
135.11673	18.6
136.05179	1.1
136.08755	3.5
137.06001	6.0
137.08238	4.0
137.09584	24.6
137.13239	8.9
138.06630	2.0
143.08575	1.3
145.02826	1.0
147.03348	2.6
147.04379	15.0
147.08057	1.1
149.05975	1.9
151.03914	5.2
151.07509	4.5
151.11159	4.9
151.14784	3.2
152.06985	1.5
152.08107	1.3
161.05954	11.4
161.08443	1.2
161.09601	8.6
161.11893	1.7
161.13229	35.2
162.09036	1.3
162.13506	1.8
163.07626	1.4
164.08356	1.6
167.46829	1.1
178.07848	1.3
179.03378	20.1
179.06892	13.1
179.09152	3.2
179.10655	17.8
179.14281	100.0
180.06561	1.8
180.14706	1.9
190.25745	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.85065	0.6
53.03934	1.6
55.01866	2.9
55.05503	7.7
57.03430	6.9
57.07065	2.1
61.74238	0.5
65.03927	1.1
67.05495	38.5
69.03413	2.5
69.07059	8.8
70.97129	1.7
71.04977	3.7
77.03905	0.9
79.05482	30.4
81.07044	100.0
82.07372	1.3
83.04975	6.9
83.08614	4.6
85.06531	9.6
91.05467	31.3
93.07031	43.3
95.04963	5.2
95.08592	79.6
96.08926	1.5
97.06515	17.8
99.08075	10.3
103.05450	0.7
105.07017	37.4
106.07310	0.9
107.08575	19.2
109.06498	5.4
109.10141	5.9
111.08081	5.4
113.09622	0.7
117.06964	2.6
119.04936	1.0
119.08565	58.7
119.83505	0.5
120.08883	1.0
121.10126	18.6
123.04361	0.8
123.08063	8.8
123.11660	1.5
131.08516	1.1
133.06395	1.2
133.10109	36.5
134.10466	1.2
135.11671	32.9
136.12010	1.1
137.09587	3.7
137.13248	2.5
147.04385	1.5
151.11192	1.7
151.14764	0.9
159.11621	0.9
161.05917	0.9
161.13237	88.6
162.13576	3.5
179.03400	4.0
179.06979	1.1
179.14284	94.3
180.14581	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	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03938	5.6
55.01867	9.3
55.05503	30.2
57.03413	3.4
57.07059	1.7
59.04974	1.6
65.03925	4.2
66.01669	0.9
66.62849	0.7
67.05496	100.0
67.85342	0.9
68.05819	1.5
69.03416	1.7
69.07060	16.9
69.07431	1.7
71.04980	3.1
74.30512	0.8
79.05483	67.1
80.05827	1.1
81.03410	25.2
81.07045	92.6
82.07355	1.1
83.04969	34.6
83.08605	12.9
85.06533	3.9
91.05468	55.7
91.23881	0.8
92.05801	1.9
93.07032	45.1
95.04955	13.3
95.08593	74.2
96.08916	2.2
97.06516	33.1
97.10152	4.3
98.21481	1.8
99.08089	2.5
105.04507	1.0
105.07018	27.8
107.08578	12.1
109.06472	7.2
109.10144	11.8
111.08073	8.7
113.09631	7.1
117.06995	1.5
119.04929	1.8
119.08561	33.4
121.10139	5.5
123.04410	1.6
123.08052	5.6
131.08562	1.1
133.02879	1.2
133.10109	21.3
135.11687	8.5
137.09554	2.0
147.04391	2.8
151.03804	1.2
159.11668	2.1
161.05995	1.5
161.13232	17.0
164.03929	0.9
179.03313	6.0
179.06821	2.7
179.08763	1.4
179.10605	1.8
179.14288	53.4
180.14629	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	179.1427
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.20770	1.4
51.61620	1.2
53.03935	7.8
55.01864	10.8
55.05245	1.7
55.05504	33.0
55.28114	1.2
57.03407	2.6
57.07062	2.6
59.04988	1.6
65.03918	4.2
67.05493	100.0
68.04131	1.3
68.05815	3.2
69.07051	15.8
70.12859	2.6
70.13251	3.9
71.04979	1.9
79.05019	2.6
79.05482	63.2
81.03401	23.3
81.07043	96.3
83.04967	32.9
83.08605	14.9
85.06516	4.3
91.05463	54.2
93.06427	2.1
93.07024	45.1
95.04951	15.9
95.08588	74.7
96.08898	1.4
97.06512	37.9
97.10140	3.5
99.08074	1.5
105.07014	30.5
107.08582	16.6
109.06498	9.1
109.10141	16.5
111.08054	9.1
113.09636	8.2
117.07018	3.9
119.04933	2.0
119.07747	1.7
119.08566	32.4
121.06428	1.5
121.10114	5.9
123.04388	3.4
123.08064	6.6
133.02783	2.0
133.06450	5.6
133.10124	23.5
135.11655	8.2
137.09605	3.0
146.77309	1.4
147.04375	3.1
151.03963	1.6
161.05954	2.6
161.13242	20.5
166.82478	1.6
179.03386	11.4
179.06708	3.2
179.10661	2.9
179.14272	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1065
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03920	3.1
55.01868	12.0
55.05502	8.6
56.75358	1.0
57.03416	2.6
57.07053	2.9
57.07323	1.0
59.04982	3.0
59.96938	0.9
65.03928	4.5
67.05499	35.7
68.99749	1.3
69.03421	33.5
69.07059	9.4
69.57396	7.4
69.57808	1.8
71.04978	14.0
74.68444	1.1
77.03912	3.1
78.04681	1.1
79.05485	22.5
81.03409	2.6
81.04506	1.2
81.07046	69.5
83.04953	4.4
85.06519	3.7
89.03894	3.4
90.04232	1.3
91.05469	51.8
93.07037	37.7
95.04961	17.9
95.06042	1.8
95.08001	2.0
95.08595	31.5
96.08885	1.4
97.06523	14.2
99.04441	42.9
99.08059	1.7
103.05442	3.7
105.03368	6.1
105.04504	1.9
105.07018	73.1
106.06505	1.2
106.07310	1.6
107.04923	3.8
107.08580	34.7
107.66212	1.0
108.04436	1.7
108.08869	1.6
109.02852	2.9
109.06504	22.7
109.07637	1.7
109.10144	49.7
110.07203	1.2
110.10463	1.4
111.04385	1.4
111.08105	1.4
112.07558	1.3
115.05437	9.2
117.03360	2.9
117.06996	10.6
118.04153	1.8
119.04037	2.9
119.04918	26.4
119.08566	76.4
120.08096	1.4
120.08899	1.9
121.06500	5.6
121.10128	6.7
123.04417	38.5
123.08042	9.7
123.11670	10.3
127.07529	4.4
128.06215	7.9
131.04881	1.5
131.08533	6.0
133.02834	28.1
133.06485	13.2
133.10114	100.0
134.03159	1.8
134.06017	1.9
134.10454	3.9
135.04395	4.1
135.08037	73.6
135.11661	11.1
136.05156	3.9
136.08437	2.3
137.05959	8.2
137.08182	2.8
137.09601	14.4
138.06589	1.7
141.35123	1.0
143.08542	22.4
145.02768	1.7
145.06433	1.5
146.03600	2.2
146.07230	4.9
147.03351	2.9
147.04405	28.5
148.08818	1.5
149.05977	1.6
149.09650	1.4
151.03889	14.7
151.07547	6.2
151.11165	34.7
152.07034	2.2
161.02483	1.2
161.05995	11.3
161.09598	57.4
161.13240	19.8
162.05458	2.4
164.04643	1.3
179.03375	86.5
179.07115	17.1
179.09384	2.1
179.10649	51.3
179.14265	23.5
179.57462	1.1
180.03726	4.8
180.06464	1.9
180.11082	1.6
198.17703	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1427
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03926	3.7
55.01843	6.9
55.05500	8.1
57.03413	6.4
57.07050	1.8
59.04955	1.9
65.03918	2.8
65.98728	1.4
67.03607	1.5
67.05493	46.5
69.03431	3.9
69.07050	10.0
69.66200	1.6
71.04975	5.1
71.71652	1.9
71.72033	1.8
79.05478	29.5
81.07040	100.0
83.04980	7.7
83.08612	2.9
85.06535	8.8
91.04922	2.8
91.05467	43.3
93.07027	46.7
95.04942	11.4
95.08591	81.7
97.06508	19.6
99.08067	6.9
102.51546	1.4
103.05386	1.7
105.06329	3.0
105.07015	52.9
105.07718	2.9
107.08566	23.3
108.04463	2.3
109.06483	7.9
109.10143	10.4
109.19321	1.8
111.08047	7.1
113.09554	1.8
115.05434	1.6
117.07008	4.5
119.04922	10.4
119.08556	62.3
121.06485	2.5
121.10118	20.0
123.04427	7.7
123.08053	13.6
123.11669	2.1
133.02809	4.8
133.06445	10.4
133.10103	41.3
134.10516	2.0
135.11667	35.9
137.05936	3.1
137.09589	5.0
137.13190	3.4
147.04393	14.7
151.03870	3.9
151.07529	2.6
151.11127	3.2
152.07086	2.1
161.05928	5.3
161.09598	3.3
161.13229	84.5
162.05455	2.3
162.09010	2.2
162.13585	3.5
164.03925	2.2
179.03374	28.5
179.06853	8.3
179.08430	2.4
179.10735	10.3
179.14276	97.2
180.03824	2.1
180.06534	2.6
180.08020	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1063
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03930	2.6
53.62316	0.5
55.01864	4.8
55.05270	0.8
55.05500	9.9
56.05030	0.6
57.03420	3.4
57.07061	2.9
59.04997	3.3
65.03917	1.8
67.05138	1.1
67.05490	20.6
68.04996	1.4
69.03418	7.2
69.07053	6.9
70.13216	2.7
71.01339	1.4
71.04964	1.8
71.08623	0.8
72.22326	0.6
73.63601	0.6
77.03912	0.7
79.05477	11.1
80.05015	0.8
81.03396	3.2
81.04521	0.9
81.07042	18.7
83.04962	43.5
83.06036	2.0
83.08596	1.2
84.05304	0.7
85.02869	1.6
85.06510	1.6
89.03859	1.0
91.05457	26.8
93.07022	24.0
94.06580	0.8
95.01313	0.5
95.04949	38.4
95.06055	3.7
95.08590	23.3
97.02845	0.6
97.06510	3.0
101.39202	0.7
103.05424	2.2
105.03371	2.1
105.07008	47.1
106.06547	1.5
106.07249	1.1
107.04920	2.2
107.08571	32.2
108.04446	2.2
108.05654	0.9
108.08889	1.8
109.02840	2.2
109.06499	17.6
109.07609	1.4
109.10133	23.2
110.07085	1.3
111.04384	0.7
111.08031	1.5
115.05419	2.7
117.06998	4.0
118.04131	0.7
118.07771	1.2
119.01896	0.7
119.04911	8.1
119.07732	1.2
119.08559	22.5
120.05557	1.4
121.06483	9.7
121.07366	1.0
121.07664	0.7
121.10124	11.0
122.07201	2.2
123.04409	12.0
123.08041	12.0
123.11680	8.3
124.08618	0.7
128.06172	1.8
131.04849	1.1
131.08551	4.8
133.02838	2.5
133.06476	10.2
133.10103	65.8
134.05962	1.2
134.06985	1.0
134.10437	1.7
135.04398	0.8
135.08029	3.4
135.11678	4.8
136.02103	0.9
136.05174	1.0
136.08713	1.0
137.05972	6.0
137.08200	5.7
137.09578	26.3
137.10652	1.3
137.13202	1.2
138.10069	1.0
141.05432	1.5
143.08514	3.7
146.03592	0.7
146.07225	5.1
147.03339	1.5
147.04376	7.2
149.05963	2.2
151.03854	1.9
151.07506	2.5
151.11157	9.3
151.14775	4.9
152.08144	1.3
161.05956	6.9
161.08406	0.9
161.09581	26.6
161.13210	6.6
162.05408	0.8
162.06683	0.7
162.10103	0.9
163.07495	0.7
164.08357	1.9
179.03389	10.3
179.07205	9.4
179.09476	3.8
179.10632	100.0
179.14204	17.4
180.06496	1.8
180.11043	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.07
Annotation	(3S)-2-Oxo-3-phenylbutanoate
Peak:m/z	Relative Intensity
51.22491	0.8
52.44289	0.7
53.00294	0.9
53.03933	2.2
55.01868	6.8
55.05482	1.6
56.05011	1.6
56.96550	1.3
57.03417	2.3
65.03925	2.5
66.04704	1.6
67.05499	6.3
68.05009	3.1
69.03403	2.9
69.04510	0.9
69.79351	0.8
70.04955	2.5
70.05363	2.0
70.06575	0.8
71.01340	1.9
73.02889	1.0
77.03906	1.8
78.04679	0.9
79.05481	28.1
80.05006	1.2
81.03386	3.2
81.04532	2.5
81.07046	44.3
83.06084	3.3
85.02899	0.8
89.03882	2.6
91.05470	15.8
93.07024	9.6
94.04175	1.0
95.04949	9.4
95.06065	5.9
95.08591	7.1
96.04453	1.5
97.02899	1.8
97.06462	1.4
97.07641	1.1
103.05462	10.8
105.03391	4.5
105.04513	1.4
105.07014	73.2
106.06556	1.0
106.07288	1.1
107.04919	5.4
107.06062	1.3
107.08591	5.1
108.04469	1.6
108.05643	1.7
109.02867	5.7
109.06495	12.0
109.07610	1.0
109.10141	1.6
110.07143	1.2
115.05444	10.2
117.03319	1.1
117.06995	3.1
118.00642	0.7
118.04183	5.1
119.04930	17.8
119.08562	3.1
120.05618	3.2
121.02833	2.2
121.06508	4.3
121.10139	1.2
122.07182	1.0
123.04415	33.1
123.08041	4.1
125.02350	8.9
131.04907	1.2
132.05740	0.9
133.01846	0.6
133.02831	22.0
133.06470	65.4
133.10085	5.1
134.05959	1.9
134.06992	3.1
135.04401	5.5
135.08031	34.5
135.09973	1.2
135.11594	1.5
136.05144	1.1
137.02309	0.9
137.05963	3.7
137.08189	9.1
137.09648	2.0
138.03128	4.3
138.06641	1.3
139.07443	1.2
143.04904	1.0
146.03593	14.3
146.04675	1.3
147.04393	8.1
149.05939	2.5
151.03889	13.9
151.07529	13.2
151.11154	1.8
152.07059	1.1
152.08177	2.5
161.05962	79.2
161.09636	3.3
161.13150	1.4
162.06351	2.8
162.09106	1.6
163.07602	1.1
164.04689	1.0
177.05424	1.2
179.02220	1.8
179.03387	76.5
179.07007	100.0
179.10379	6.6
179.12747	4.6
179.14294	2.4
180.03711	2.2
180.07417	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.07
Annotation	(3S)-2-Oxo-3-phenylbutanoate
Peak:m/z	Relative Intensity
53.03934	2.6
55.01871	5.3
55.05492	1.0
56.05030	0.9
56.96553	1.7
58.99573	1.0
63.40040	0.6
65.03922	3.1
67.05496	5.9
68.05018	0.8
69.03403	1.4
70.06575	1.2
71.63364	1.0
76.02225	2.8
77.03909	1.4
79.05483	29.4
81.03424	0.8
81.07040	5.0
83.06090	1.1
84.08128	1.1
85.02917	0.9
88.47211	0.5
91.05466	28.9
93.06502	1.0
93.07036	10.3
95.04967	6.0
95.06076	2.0
95.08599	10.2
96.04510	0.8
97.02934	0.6
98.97546	1.0
103.05461	8.5
105.03336	0.9
105.07014	100.0
106.06533	1.6
106.07338	2.9
107.04949	3.8
107.08578	27.7
107.50248	0.6
108.04449	0.9
109.06500	7.9
109.10081	0.7
110.37138	0.5
115.05450	4.0
117.07002	8.6
119.04919	12.4
119.06026	1.6
119.08552	1.0
121.06467	2.5
122.02774	0.5
123.04417	2.5
123.08061	3.2
131.04915	2.0
132.04340	0.6
133.06471	85.0
133.10075	1.3
134.05956	2.3
134.06917	1.7
135.04378	0.7
135.08026	6.7
135.11740	0.6
136.05203	0.7
137.05951	2.5
137.08218	2.0
138.06464	0.7
147.04393	12.7
149.05952	21.8
151.03891	0.8
151.07539	2.4
152.08174	1.0
161.05971	9.9
161.13171	0.7
162.06561	0.8
173.47282	0.6
174.00677	1.4
179.03439	5.1
179.07011	41.7
179.09311	1.2
179.10628	1.8
179.12872	0.6
180.07497	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0336
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02377	0.6
51.66700	0.2
53.00305	0.2
53.03929	0.9
54.03476	0.2
54.99738	0.2
55.01862	1.7
55.05496	0.6
55.83474	0.2
56.05021	0.5
57.03423	0.3
60.65168	0.3
65.03918	0.7
67.05486	2.1
68.05013	0.8
69.03423	0.4
69.04531	0.5
71.04971	0.4
77.03911	3.0
79.05486	2.9
81.03376	0.3
81.04529	0.3
81.07043	1.8
83.04963	0.5
83.06091	0.6
85.06541	0.2
89.03898	4.5
91.05460	3.8
93.07037	1.7
95.04950	3.9
95.06033	1.1
95.08595	1.9
96.04482	0.2
97.03993	0.3
97.06484	0.4
97.07644	0.3
103.05418	0.5
105.03378	7.9
105.04475	0.3
105.07012	4.5
106.03705	0.2
107.04931	2.3
107.08565	1.3
108.04429	0.5
108.05645	0.3
109.06502	1.5
109.07626	0.4
109.10126	0.9
110.07137	0.6
111.05523	0.3
115.05402	0.3
117.03353	3.4
119.04926	2.6
119.08585	1.4
120.02087	0.4
120.05577	0.5
120.08064	0.3
121.06485	1.8
121.07267	0.3
121.10131	0.7
121.66171	0.2
122.07161	0.3
123.04410	16.0
123.08037	0.9
124.04736	0.4
130.61630	0.2
133.02831	39.5
133.06441	2.5
133.10095	2.6
134.03156	1.0
134.05949	0.2
134.07043	0.4
135.04391	8.0
135.08066	0.5
135.11592	0.4
136.04936	0.3
136.08693	0.3
137.05943	1.1
137.08191	2.9
137.09555	0.8
138.06604	0.4
145.03990	0.3
146.03552	0.3
147.04379	2.8
148.08766	0.3
151.03885	2.0
151.07509	1.0
151.11089	0.6
152.07036	0.3
152.08142	0.4
161.02310	2.3
161.05960	2.2
161.08292	0.4
161.09583	1.6
161.13226	1.2
162.05388	0.3
162.06607	0.5
162.09045	0.3
163.07474	0.4
179.03363	100.0
179.09259	1.1
179.10629	2.9
179.12894	0.5
179.14311	1.1
180.03708	3.1
180.06433	0.4
180.10204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0337
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02371	0.4
53.03939	0.9
54.03467	0.2
55.01859	0.5
55.05500	1.1
56.05014	0.2
56.96564	0.2
63.62002	0.2
65.03936	0.5
67.05498	1.4
68.05006	0.5
68.10201	0.2
69.03397	0.3
69.04554	0.3
69.07044	0.3
71.38793	0.3
75.08897	0.2
77.03901	1.3
79.05490	2.0
80.04993	0.2
81.03418	0.6
81.04512	0.3
81.07038	1.5
83.04988	0.4
83.06094	0.4
84.04498	0.2
85.02913	0.2
89.03900	2.5
91.05469	1.6
93.07031	0.5
95.04957	2.2
95.06075	1.2
95.08587	0.9
97.06560	0.2
102.41851	0.2
103.05463	0.4
105.03379	3.0
105.07011	2.9
106.06564	0.3
107.04941	0.8
107.06069	0.3
107.08573	0.7
108.04473	0.5
109.02883	0.4
109.06509	1.8
109.10178	0.3
110.07142	0.5
115.05447	0.3
117.03349	1.1
119.04921	1.2
119.08579	0.3
120.05624	0.3
121.06487	0.5
123.04414	42.1
124.04736	0.8
133.02834	29.0
133.06459	1.8
133.10129	0.7
134.03166	0.7
134.07066	0.5
135.04404	4.4
135.05388	0.1
137.05945	0.6
137.08205	1.4
137.09596	0.3
147.04391	1.2
151.03886	9.2
151.07515	0.8
152.08174	0.3
161.02328	0.3
161.05971	1.4
161.08292	0.4
161.09621	0.5
161.13200	0.3
162.06613	0.2
179.03369	100.0
179.10645	1.0
179.14229	0.4
180.03729	3.2
180.06422	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	177.1635
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
50.77599	0.8
50.82373	0.9
52.91739	0.9
53.03928	1.4
55.01845	1.4
55.05506	10.4
57.07050	2.0
65.03912	1.7
67.05502	8.0
69.06686	2.0
69.07059	34.9
79.05490	15.9
81.07042	15.7
83.08162	1.6
83.08613	17.3
89.03918	2.6
91.05470	12.5
93.07033	35.0
94.07357	1.3
95.04965	2.8
95.08593	45.2
97.10142	2.3
98.98450	15.5
103.05490	1.5
105.07018	9.8
107.08580	100.0
108.08902	2.6
109.06532	1.9
109.10139	13.0
117.03370	3.1
117.06975	1.9
119.08571	4.0
121.02832	1.4
121.06493	3.2
121.10129	99.2
122.10468	1.7
131.04915	1.3
131.08562	4.3
133.10077	1.7
135.04355	1.3
135.11676	18.9
145.01770	1.0
145.02806	5.3
147.04448	1.2
149.02341	3.6
149.05974	1.4
149.09589	1.7
149.13252	6.1
159.08058	1.0
159.11642	2.4
177.05424	5.7
177.08994	5.8
177.12788	7.3
177.16370	49.0
178.04936	1.4
178.08568	1.8
178.16730	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1224
Annotation	Valerianine
Peak:m/z	Relative Intensity
53.03942	0.4
54.37498	0.4
55.01856	0.4
55.05524	0.4
56.05013	0.3
65.03949	0.4
67.05508	0.7
68.05031	0.4
71.68421	0.7
79.05473	1.7
80.05015	0.5
81.07057	0.8
83.06097	0.4
91.05453	2.6
92.04988	0.6
92.61974	0.4
93.05808	0.7
93.07045	0.8
94.06567	0.6
95.04945	0.8
95.06089	0.7
95.08607	0.5
96.04499	0.4
97.07645	0.3
104.05027	0.3
105.03386	0.4
105.07010	4.3
106.06526	1.0
107.08587	1.3
108.08107	0.5
109.06509	0.9
110.07184	0.4
115.05466	0.5
117.07051	1.5
118.06523	9.4
119.04935	0.7
119.07317	8.9
119.08586	0.3
121.06489	1.4
122.06023	0.7
122.06889	0.4
123.04418	1.2
123.08087	0.4
132.04424	1.1
132.08078	1.5
133.02837	1.0
133.06490	2.3
133.10089	0.6
134.09634	65.1
135.04462	0.4
135.08067	0.5
135.09999	1.6
136.07579	0.5
137.08206	1.7
147.04411	0.6
149.05922	2.0
150.05479	0.8
150.09108	0.3
151.03893	0.7
151.07501	0.6
151.09729	0.4
160.03905	1.8
160.07585	0.6
160.11205	1.1
161.05952	1.2
161.08176	0.4
161.09552	0.3
162.09140	2.9
163.09882	0.6
178.04984	8.6
178.08949	2.7
178.12242	100.0
179.03410	3.6
179.04951	0.5
179.07071	1.6
179.10687	0.6
179.12598	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	177.1635
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
52.09435	1.0
53.03919	2.4
55.05242	1.2
55.05498	19.6
55.92039	0.9
56.49383	0.9
65.03925	1.1
67.05495	13.6
69.06681	1.9
69.07052	27.0
69.77891	6.2
74.98135	0.9
77.03888	1.3
79.05479	32.3
81.07041	72.0
83.08607	14.5
89.06042	1.1
91.05461	11.6
93.07031	51.7
95.04944	2.4
95.08588	68.2
96.08911	1.2
97.10145	6.9
98.20751	1.9
98.98458	3.0
105.07018	9.2
107.08575	96.4
108.08900	1.8
109.06491	1.7
109.10137	19.4
119.08537	4.0
121.10126	100.0
122.10433	2.2
123.08070	1.3
133.10110	1.5
135.11662	17.9
149.02226	1.2
149.13240	7.1
177.16354	70.8
178.16656	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	177.1636
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.46178	0.5
53.03934	2.1
55.01865	1.6
55.05511	11.7
57.07080	3.7
63.02372	1.1
65.03935	1.1
67.05494	5.2
69.03421	1.7
69.07062	23.9
71.01340	0.8
71.08634	0.6
71.54330	1.3
77.03924	0.8
78.04694	1.5
79.05482	17.0
81.03436	0.9
81.07045	10.2
83.08611	13.6
89.03912	24.7
90.04242	0.8
91.05471	16.1
92.05781	1.0
93.07034	45.4
95.04945	3.4
95.08599	24.5
95.53186	0.8
97.10165	1.6
98.98442	5.5
103.05453	2.9
105.07025	16.0
106.04180	3.4
107.04935	1.9
107.08582	77.2
108.08891	1.1
109.02828	0.7
109.06504	2.7
109.10155	10.4
115.05447	1.1
117.03368	35.1
117.07015	1.8
117.87148	0.6
118.03694	2.1
118.06523	1.3
119.04975	1.2
119.08582	6.3
121.06496	4.9
121.10130	100.0
122.10473	2.0
123.08077	2.1
124.05141	1.0
131.04948	1.8
131.08539	3.1
132.04433	2.3
132.08096	3.6
133.10135	1.7
134.03639	5.3
135.04420	4.1
135.08014	1.6
135.11678	24.6
136.12012	0.8
137.09503	1.2
142.06497	1.6
144.09303	0.8
145.02834	46.5
146.03233	1.4
147.04462	0.9
149.02350	1.9
149.05957	18.3
149.13239	7.3
150.06421	1.2
158.05995	0.7
159.04366	1.2
159.08087	0.9
159.11717	2.3
160.07576	9.3
162.03036	1.1
163.03775	1.8
177.05455	17.8
177.09105	3.5
177.11322	1.3
177.12799	5.7
177.16371	43.7
178.04849	1.0
178.08644	1.4
178.16711	1.9
186.05528	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40709	0.8
53.03931	2.2
55.01862	1.1
55.05510	9.7
57.07066	1.5
59.64259	0.9
62.14048	0.8
65.03904	0.8
67.05497	6.3
69.03419	1.3
69.07058	33.2
71.70499	1.8
79.05483	15.2
81.07051	12.1
83.08601	17.8
88.02195	1.5
88.14705	0.8
89.03880	2.0
91.05468	12.9
93.07030	35.9
95.04939	3.6
95.08591	38.2
96.08933	1.0
97.10152	1.7
98.98456	15.5
101.43681	0.8
103.05465	2.6
103.39928	1.0
105.07013	11.5
106.04150	1.3
107.04945	2.1
107.08577	90.7
108.08885	2.1
109.06491	2.5
109.10125	11.7
117.03386	4.3
117.07008	2.2
119.04973	1.4
119.08559	3.9
121.06461	2.2
121.10126	100.0
122.10471	2.0
123.08054	1.8
131.04909	1.6
131.08521	5.4
133.10130	3.0
135.04391	1.1
135.08040	3.1
135.11673	22.4
144.09297	1.2
145.02820	4.7
145.06502	1.8
145.35085	0.9
147.04329	2.4
147.11661	1.2
149.02316	4.2
149.05957	2.9
149.09636	1.3
149.13258	5.8
159.08034	1.7
159.11678	3.9
162.03123	1.1
177.05424	7.8
177.09076	6.9
177.12752	11.4
177.16364	50.2
178.08609	2.1
178.12222	1.6
178.16687	2.2
199.03439	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46178	0.5
53.03934	2.1
55.01865	1.6
55.05511	11.7
57.07080	3.7
63.02372	1.1
65.03935	1.1
67.05494	5.2
69.03421	1.7
69.07062	23.9
71.01340	0.8
71.08634	0.6
71.54330	1.3
77.03924	0.8
78.04694	1.5
79.05482	17.0
81.03436	0.9
81.07045	10.2
83.08611	13.6
89.03912	24.7
90.04242	0.8
91.05471	16.1
92.05781	1.0
93.07034	45.4
95.04945	3.4
95.08599	24.5
95.53186	0.8
97.10165	1.6
98.98442	5.5
103.05453	2.9
105.07025	16.0
106.04180	3.4
107.04935	1.9
107.08582	77.2
108.08891	1.1
109.02828	0.7
109.06504	2.7
109.10155	10.4
115.05447	1.1
117.03368	35.1
117.07015	1.8
117.87148	0.6
118.03694	2.1
118.06523	1.3
119.04975	1.2
119.08582	6.3
121.06496	4.9
121.10130	100.0
122.10473	2.0
123.08077	2.1
124.05141	1.0
131.04948	1.8
131.08539	3.1
132.04433	2.3
132.08096	3.6
133.10135	1.7
134.03639	5.3
135.04420	4.1
135.08014	1.6
135.11678	24.6
136.12012	0.8
137.09503	1.2
142.06497	1.6
144.09303	0.8
145.02834	46.5
146.03233	1.4
147.04462	0.9
149.02350	1.9
149.05957	18.3
149.13239	7.3
150.06421	1.2
158.05995	0.7
159.04366	1.2
159.08087	0.9
159.11717	2.3
160.07576	9.3
162.03036	1.1
163.03775	1.8
177.05455	17.8
177.09105	3.5
177.11322	1.3
177.12799	5.7
177.16371	43.7
178.04849	1.0
178.08644	1.4
178.16711	1.9
186.05528	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1635
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03934	1.4
55.01855	1.5
55.05502	14.2
57.07054	1.2
63.54012	0.7
63.77863	0.9
65.03918	1.2
67.05497	8.1
69.07061	38.1
71.31404	1.3
79.05479	16.6
79.77002	0.7
80.38963	0.9
81.06600	1.1
81.07044	14.0
83.08607	20.3
89.03890	2.5
89.13352	0.8
91.04919	1.1
91.05465	14.0
93.07030	41.0
94.07349	1.0
95.04949	2.8
95.08595	41.5
97.10148	1.9
98.97886	1.2
98.98454	10.8
103.05466	1.6
105.07016	13.9
106.04185	0.8
107.04971	1.5
107.08578	100.0
108.08923	2.7
109.06506	2.5
109.10144	14.0
117.03349	3.3
117.07013	2.0
118.97226	0.7
119.04935	1.7
119.08582	4.3
121.06511	1.4
121.10126	98.8
122.10441	2.2
123.08060	1.8
125.09455	0.7
129.06964	1.2
131.08551	4.8
133.10112	3.1
135.08002	1.8
135.11676	21.4
136.63188	0.9
140.95883	0.9
145.02844	5.0
147.04333	1.0
149.02313	3.2
149.05971	2.8
149.13210	6.1
153.93533	0.7
159.08066	2.0
159.11627	2.3
163.04419	0.8
177.05464	4.3
177.09084	11.1
177.12773	7.3
177.16362	53.3
178.04959	1.0
178.06914	1.5
178.08511	0.8
178.16743	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02366	2.0
53.03933	8.5
54.17130	1.0
55.01866	6.1
55.05503	23.4
55.17340	1.1
57.03426	8.3
57.07054	4.5
59.04978	1.8
61.65664	1.2
63.02361	2.0
65.03916	1.8
67.05497	15.6
69.03431	7.9
69.06697	1.8
69.07058	31.1
70.59045	1.1
70.96066	3.9
71.04984	7.8
77.03904	2.1
78.04683	3.6
79.05482	54.6
81.03391	1.7
81.07044	42.9
82.07333	1.1
83.04945	4.5
83.08615	7.3
85.06507	1.9
89.03909	57.2
90.04221	2.3
91.05472	54.5
93.07034	92.9
94.07336	1.6
95.04955	15.7
95.08599	19.7
97.06510	4.0
98.98450	15.1
103.05453	6.4
105.04490	1.5
105.07018	38.3
106.04146	6.6
107.04951	13.4
107.08581	70.9
109.06504	14.2
109.10134	3.1
114.84261	1.1
115.05482	6.0
116.06229	2.5
117.03365	84.7
117.07002	29.3
117.07796	2.6
118.03720	2.3
119.04921	1.6
119.08567	21.3
120.10889	1.3
121.02808	1.7
121.06484	25.0
121.09250	1.8
121.10130	28.6
123.08050	2.8
124.05137	1.6
129.06992	10.1
130.07780	6.5
131.04913	2.8
131.08556	38.0
133.06476	2.4
133.10106	12.9
134.03612	10.5
135.04416	8.8
135.08035	15.8
135.11685	13.3
144.09337	9.6
145.02831	100.0
146.03181	3.4
147.11731	1.9
148.08783	2.4
149.02322	3.1
149.05965	34.6
149.09572	4.1
149.13251	14.9
150.06342	1.9
158.05846	1.5
159.08096	1.8
159.11676	35.6
162.03094	4.5
163.03920	2.9
177.03954	2.4
177.05449	34.8
177.07033	2.4
177.09100	5.6
177.12723	54.9
177.16333	6.6
178.08530	1.8
186.05502	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	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02360	0.6
52.87933	0.4
53.03938	0.9
54.18866	0.4
55.01864	0.6
55.05492	0.4
63.02379	1.4
64.38204	0.3
67.05497	1.0
67.22598	0.4
68.61298	0.4
69.07050	1.4
70.90360	0.7
70.90723	1.0
78.04700	3.7
79.05482	2.3
81.07057	1.9
83.08574	0.6
89.03905	50.1
90.04235	1.5
91.05470	5.3
93.07006	3.0
95.04943	1.4
95.08589	1.3
98.98428	2.6
103.05446	3.1
105.03379	0.6
105.04487	0.6
105.07014	1.6
106.04161	4.8
107.05006	0.5
107.08577	3.6
109.10130	0.5
117.03362	81.4
118.03697	2.3
119.04923	0.5
121.06480	2.5
121.10129	3.4
124.05190	1.3
129.04515	0.4
131.04916	1.1
131.08536	1.5
133.10117	0.6
134.02592	0.6
134.03616	10.0
135.04402	7.5
135.08018	0.4
135.11674	0.9
142.69974	0.4
145.02827	100.0
146.03128	3.7
147.04385	0.7
149.02327	1.2
149.05960	27.6
150.06293	0.6
158.05965	1.0
159.04405	0.8
159.08099	0.7
159.11690	1.1
162.03098	1.9
163.03854	3.2
177.05449	28.0
177.09006	1.3
177.12712	3.2
177.16382	1.3
178.05798	0.7
186.05519	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	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03933	5.7
55.01856	4.5
55.05506	11.1
57.03419	3.1
57.07058	1.9
63.02354	2.2
65.03934	1.8
67.05491	18.6
69.03411	4.1
69.07062	21.0
71.04980	2.9
71.36757	2.1
71.37080	1.3
78.04695	3.5
79.05482	25.2
81.03393	9.1
81.07047	30.5
83.04954	6.2
83.08616	8.0
85.06511	1.6
89.03902	50.2
90.04233	1.9
91.05465	47.1
91.06038	2.4
93.07034	69.0
95.04957	29.8
95.08586	19.1
96.04478	1.7
97.04799	2.1
97.06496	3.7
98.97565	3.5
98.98444	12.1
103.05450	5.5
105.07018	53.7
106.04136	6.5
107.04945	8.9
107.08582	53.9
108.08876	1.6
109.06499	10.2
109.10150	12.5
110.07133	1.8
115.05431	4.6
116.06243	3.4
116.98619	3.0
117.03365	83.9
117.07007	29.7
118.03677	1.9
118.07319	1.4
119.04932	4.3
119.06018	1.7
119.08569	22.0
121.06482	32.8
121.10122	36.1
124.05123	1.6
129.06985	6.1
130.07759	2.8
131.04904	6.0
131.08543	34.4
131.09456	3.0
133.06451	2.8
133.10114	18.5
134.03638	10.9
134.07236	6.7
135.04411	7.4
135.08037	22.2
135.11679	13.9
144.09340	11.9
145.02829	100.0
146.03188	3.3
146.07195	2.1
147.07954	1.7
147.11661	3.5
149.02341	6.1
149.05956	28.8
149.09592	7.2
149.13234	12.5
150.06329	1.7
157.10179	2.1
159.04367	2.2
159.08043	5.4
159.11681	43.9
160.08606	1.5
160.12102	1.6
162.03098	2.8
162.10307	1.8
163.03860	2.6
177.05435	41.3
177.09113	9.0
177.12730	87.1
177.16281	10.6
178.04884	2.1
178.13040	2.5
186.05482	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	175.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86289	0.7
55.05501	9.2
57.07063	1.4
67.05500	3.6
69.07059	23.5
71.29203	1.6
76.54796	0.7
79.05486	3.9
81.07042	10.9
83.08626	4.8
91.05471	14.1
93.07039	5.1
95.08588	7.7
98.70271	0.7
98.98441	2.6
102.09913	0.6
103.05436	1.3
105.07015	34.2
107.08571	6.9
115.05437	1.4
117.07011	4.1
119.08563	100.0
120.08864	2.0
121.10145	4.0
129.06982	1.2
131.08539	5.4
132.09258	0.7
133.10110	83.6
134.10466	2.4
142.07788	0.9
145.10112	8.5
146.10872	1.9
147.04283	0.8
147.08020	1.0
147.10567	1.3
147.11668	13.8
157.10110	1.1
159.11632	1.1
160.05164	1.3
160.12436	4.2
173.13240	3.5
175.07510	2.3
175.11221	2.3
175.14798	99.4
176.15150	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	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03956	0.6
53.56800	0.4
55.01865	0.6
55.05514	3.5
55.08429	0.6
57.07061	0.6
63.02371	1.5
65.03935	0.5
67.05491	2.3
69.03430	0.5
69.07058	7.7
70.14503	1.7
70.14916	1.2
77.03928	0.8
78.04684	3.6
79.05484	5.3
81.07052	5.5
83.08605	4.3
89.03906	50.1
90.04263	0.9
91.05472	8.6
93.07030	12.4
95.04954	2.4
95.08593	12.1
95.64434	0.5
97.10172	0.7
98.98465	2.8
103.05446	4.3
105.03376	0.6
105.07018	4.0
106.04168	4.9
107.04985	1.0
107.08580	18.4
109.10126	3.9
115.05418	0.5
117.03364	83.7
117.07016	1.2
118.03666	2.3
119.08560	1.7
121.02846	0.5
121.06504	3.6
121.10130	26.1
124.05202	1.5
131.04912	1.7
131.08545	1.8
133.10118	1.5
134.03627	10.6
135.03484	0.5
135.04425	6.9
135.07968	0.8
135.10730	0.7
135.11668	5.2
145.02829	100.0
146.03127	2.7
149.02354	1.0
149.05963	31.6
149.09644	0.7
149.13249	2.1
150.06343	0.9
158.06010	1.4
159.08060	0.7
159.11664	2.1
162.03143	2.5
163.03912	2.9
177.05443	30.5
177.09085	1.9
177.12769	3.6
177.16394	13.8
178.05812	1.1
186.05508	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	175.148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.05507	9.1
57.07074	1.0
65.03923	0.8
67.05485	2.9
69.07059	21.9
69.77045	1.4
69.77454	3.6
77.99592	0.6
79.05476	4.7
80.30572	0.6
81.07043	10.6
83.08605	4.8
83.21947	0.6
91.05457	14.2
91.25871	0.5
93.07030	5.0
95.04984	0.6
95.08601	8.8
97.02892	0.9
98.20772	0.9
98.98456	7.6
103.05427	1.3
103.72278	0.6
105.03358	0.8
105.07016	32.4
107.08584	6.2
109.46236	0.5
113.43788	0.6
115.05437	11.4
116.06205	0.8
117.06980	5.8
119.08565	93.5
120.08900	2.7
121.10159	3.2
128.06157	0.7
129.06963	2.3
130.80751	0.6
131.04950	0.7
131.08539	6.7
132.05670	1.7
133.10110	76.8
134.10475	2.5
137.39969	0.7
143.04915	2.3
144.05719	2.6
145.06479	0.9
145.10136	7.5
146.10872	1.7
147.04404	0.8
147.08023	2.8
147.11668	14.8
148.11963	0.8
157.10123	1.3
158.10855	0.7
159.11728	1.2
160.03857	1.2
160.05186	20.1
160.08820	0.7
160.12465	4.8
173.13289	2.4
175.07524	22.9
175.11414	4.9
175.14804	100.0
176.07877	1.0
176.15202	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	175.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73380	0.9
55.05505	10.0
65.97314	0.8
66.24475	1.0
67.05487	3.6
69.06689	1.5
69.07055	21.3
69.88228	6.2
79.05483	5.7
81.07043	14.5
81.28027	1.0
83.08620	4.8
91.04913	1.7
91.05460	21.0
93.06496	0.8
93.07019	6.0
95.08595	13.5
98.20694	1.8
98.98440	4.6
103.05472	2.7
104.06229	4.2
105.07016	39.5
105.43409	0.9
107.04934	1.1
107.08576	9.8
109.10107	1.5
115.05447	10.3
117.06956	7.9
117.90070	0.9
118.07819	0.9
119.08562	100.0
120.08887	2.4
121.10133	4.4
128.06190	2.3
129.06949	3.3
131.08557	6.2
132.05679	10.7
133.10107	76.4
134.10445	2.1
143.04897	1.0
145.06491	1.5
145.10110	8.3
146.10837	1.5
147.08012	6.9
147.11661	14.2
159.11566	1.4
160.05180	8.4
160.12445	5.7
173.13217	2.0
175.07518	15.0
175.14795	90.0
176.15105	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.05502	10.0
57.07061	0.9
64.85777	0.8
67.05486	4.0
69.07053	23.4
69.60704	6.1
69.61095	1.5
79.05470	4.5
81.07034	11.0
83.08613	4.4
91.05454	15.1
93.07024	6.3
95.04942	1.4
95.08602	8.3
96.47661	0.8
98.98458	4.1
103.05453	1.1
105.07005	36.9
106.07352	1.0
107.08570	6.9
115.05430	2.0
117.06991	4.4
119.08553	100.0
120.08905	2.4
121.10120	3.1
122.45322	0.7
129.07011	0.9
131.08508	5.9
132.09264	0.9
133.10101	77.6
134.10431	2.9
135.11674	0.9
139.46606	0.8
145.10080	8.7
146.10933	1.5
147.08061	0.8
147.10547	1.5
147.11642	14.5
148.12057	0.7
155.54440	0.8
158.10820	1.2
159.11707	1.8
160.12463	5.0
173.13234	2.5
175.07489	2.7
175.11256	2.2
175.14786	92.4
176.15164	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	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03933	1.5
55.05504	10.2
57.07062	1.6
65.03941	0.5
67.05486	2.7
69.07060	26.1
70.07382	0.9
79.05470	3.1
81.07041	7.1
82.59360	0.5
83.08598	4.4
91.05462	11.5
93.07039	4.6
95.04958	0.8
95.08585	6.4
98.21484	0.9
98.58697	0.5
98.98450	2.5
103.05441	1.1
105.07013	29.9
106.07355	0.5
107.08580	6.3
115.05437	1.1
117.06992	4.9
118.07782	0.5
119.08562	98.5
120.08838	3.0
121.10142	2.7
129.07014	0.8
131.08527	5.3
132.09273	0.6
133.10107	83.6
134.10417	2.6
135.11610	0.5
144.09427	0.5
145.10112	8.4
146.10843	1.5
147.07986	0.5
147.11667	12.7
148.11995	0.6
156.92972	0.4
159.11591	0.8
160.05234	0.8
160.12473	3.7
173.13251	3.1
175.07507	1.9
175.14798	100.0
176.15111	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	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03936	0.7
55.05505	8.6
56.21246	0.6
57.07063	1.0
63.39240	0.6
67.05514	3.0
69.07059	20.0
70.51832	1.8
79.05470	4.2
81.06602	1.1
81.07047	14.6
83.08602	4.6
91.05464	13.1
93.07034	8.0
93.72731	0.6
95.08601	10.4
98.98460	4.4
103.05448	1.3
105.07013	38.6
106.07360	1.1
107.08575	7.7
115.05449	1.4
117.06984	4.2
117.38181	0.7
119.08564	91.6
120.08881	1.9
121.10132	2.3
128.06302	0.7
129.06982	1.7
131.08565	5.5
132.09331	1.0
133.10109	78.8
134.10461	2.1
145.10100	7.7
146.10857	2.5
147.08058	1.2
147.11659	14.2
157.10109	1.1
159.11630	0.6
160.05217	1.0
160.12459	4.7
173.13243	1.9
175.07513	2.7
175.11203	2.8
175.14801	100.0
176.15152	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	175.1478
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03961	0.6
53.54625	0.6
55.05503	8.5
57.07059	0.9
67.05491	2.8
67.29030	0.6
68.04289	0.6
69.07056	20.6
70.06219	3.3
79.05483	2.6
81.07035	10.5
83.08604	5.0
91.05458	13.0
93.07033	4.2
95.08585	9.7
98.98452	3.4
103.05440	1.1
104.06206	0.7
105.07011	30.9
106.07372	1.0
107.08570	6.5
109.06458	0.7
115.05429	2.2
117.06998	4.5
118.07815	0.6
119.08559	95.6
120.08804	1.3
120.09480	0.7
121.10131	2.8
122.78273	0.6
128.06238	1.0
129.06993	1.1
131.08543	5.0
132.05659	1.3
132.09387	1.1
133.10106	81.3
134.10347	1.4
135.11653	0.9
144.09261	0.7
145.10118	8.8
146.10844	1.3
147.08022	1.7
147.11662	15.0
160.05118	2.5
160.12477	4.3
173.13264	2.4
175.07559	5.3
175.14795	100.0
176.15178	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	175.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.05499	9.1
64.32128	0.7
67.05492	2.9
69.07056	25.1
69.60387	4.9
69.60701	0.7
70.52895	0.8
74.90334	0.6
79.05489	3.3
81.07044	8.7
83.08606	5.1
91.05464	10.9
91.81861	0.6
93.07031	5.0
95.08579	7.5
98.20705	1.5
98.98448	1.7
103.05432	1.4
105.07009	30.0
106.07352	1.1
107.08563	6.3
115.05473	1.6
117.06983	4.5
119.08557	97.5
120.08921	2.9
121.10137	2.4
129.06949	1.0
131.08540	4.8
132.09393	0.8
133.10106	89.3
134.10461	2.4
145.10083	8.4
146.10919	1.9
147.04301	0.7
147.11659	13.7
159.11595	1.4
160.12477	3.8
173.13211	2.8
175.07547	2.1
175.14795	100.0
176.15154	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	175.148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
53.49524	0.4
55.05502	8.5
56.94292	0.6
57.07066	1.3
57.49568	0.5
60.25798	0.4
67.05484	2.8
67.57332	0.4
69.03401	0.4
69.07053	24.2
70.06575	0.5
70.25164	2.1
79.05482	3.5
81.07045	8.4
81.07482	0.7
83.08610	4.7
91.05462	13.5
93.07033	4.8
95.04913	0.4
95.08589	6.7
98.21387	0.6
98.98455	5.4
103.05463	1.1
103.31139	0.4
105.07013	31.8
106.07362	0.6
107.08580	5.8
110.61214	0.5
115.05435	1.6
116.10744	0.6
117.06994	4.0
118.07701	0.6
119.08559	95.1
120.08805	2.4
121.10135	2.6
129.06979	1.4
129.10895	0.5
130.06589	1.0
131.08553	5.3
132.09283	0.7
132.95821	1.3
133.10104	83.6
134.10410	2.4
135.11650	1.4
142.07739	0.7
144.09273	0.7
145.10100	8.7
146.06000	0.5
146.10884	1.4
147.04370	0.6
147.08017	1.0
147.11658	14.8
148.12015	0.8
150.96886	0.7
157.10059	1.0
159.11661	1.0
160.05167	1.2
160.08826	1.0
160.12454	4.3
173.06203	0.4
173.13246	3.1
175.07521	2.3
175.11208	3.2
175.14793	100.0
176.07091	0.5
176.15126	4.5
177.63271	0.4
185.36591	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03937	0.7
55.05504	8.0
65.26016	0.6
67.05499	2.6
69.07059	17.1
71.01880	1.4
71.02238	1.2
77.19801	0.6
79.05462	2.7
81.07047	8.7
81.07487	0.9
83.08614	4.1
91.05468	8.7
93.07021	3.6
95.08595	8.2
98.98434	1.1
103.05457	1.0
104.06212	0.7
105.07013	21.9
105.20080	0.6
106.07334	0.6
107.08583	4.2
117.06989	3.1
119.08561	81.8
120.08921	2.3
121.10139	2.2
126.70854	0.6
129.06949	0.8
131.08548	4.3
132.09309	0.9
133.10110	77.9
134.10493	2.2
135.11734	0.9
135.85934	0.6
142.15115	0.7
145.10097	7.3
146.10884	2.2
147.11664	14.3
160.12421	4.2
173.13275	2.3
175.14798	100.0
176.15190	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1478
Annotation	Ionene
Peak:m/z	Relative Intensity
50.29976	0.5
53.01280	0.6
53.03942	1.1
54.75978	0.5
55.03937	0.6
55.05496	7.7
57.07079	1.2
67.05498	2.5
68.28120	0.5
69.07052	24.7
71.70107	1.1
79.05478	2.5
81.07045	6.1
83.08603	4.6
86.23785	0.6
91.05460	10.6
91.06028	0.6
93.07006	3.7
95.08596	6.0
98.98428	0.6
105.07004	29.9
107.08567	6.4
117.06984	3.5
119.08553	97.7
120.08930	2.5
121.10155	3.2
121.55097	0.5
131.08549	4.8
133.10101	79.2
134.10486	1.7
135.11659	0.9
145.10081	8.1
146.10918	1.0
147.11658	11.8
148.11990	0.8
160.12424	4.1
173.13260	3.2
175.14789	100.0
176.15092	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	175.148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33566	0.7
55.05504	11.4
57.07056	1.0
57.44659	0.7
59.28989	0.7
60.51017	0.7
62.33175	0.7
67.05495	2.9
69.07063	23.8
70.07410	0.7
71.04973	2.2
79.05475	3.8
81.07045	9.7
83.08601	4.5
91.05473	13.7
93.07048	5.0
95.04955	0.8
95.08602	7.6
98.98447	5.9
105.07020	36.8
107.08587	6.2
108.35291	0.8
115.05443	1.0
117.06982	3.8
119.08569	100.0
120.08878	1.7
121.10126	2.9
129.06993	1.1
130.06537	1.3
131.08562	7.1
132.09326	1.4
133.10115	89.1
134.10457	2.1
135.11705	1.1
142.07797	0.9
145.10112	9.4
146.10831	1.2
147.04405	1.0
147.11665	15.8
160.05161	0.9
160.12456	4.2
173.13287	2.1
175.07512	2.1
175.11217	3.5
175.14809	95.6
176.07028	1.5
176.15111	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	175.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62053	0.4
53.03939	0.8
55.05501	8.1
57.03423	1.2
57.07043	0.5
65.03926	1.1
67.05496	17.1
69.03408	1.3
69.07055	10.6
69.58777	4.0
70.06579	1.1
70.74776	0.4
71.04985	1.7
72.04507	2.8
79.05481	5.7
81.07043	15.9
83.04970	0.6
83.08620	2.1
87.05568	0.4
91.05468	13.4
92.05769	0.5
93.07034	22.2
95.04952	1.0
95.08591	100.0
96.08907	2.1
97.02874	1.2
97.06518	0.6
97.10172	1.0
98.98453	23.3
103.05442	1.0
105.03366	0.8
105.07017	26.1
106.07337	0.8
107.08573	5.0
109.10128	3.7
111.04407	0.8
111.11729	0.7
115.05444	1.8
116.97216	0.7
116.99508	0.5
117.06995	4.1
119.04935	2.2
119.08562	42.7
120.04456	0.5
120.08910	0.9
121.10121	16.3
127.03941	0.7
129.06975	2.0
130.06494	1.7
131.08551	5.3
132.04463	0.7
132.95848	0.9
133.06383	1.3
133.10109	31.5
134.10542	0.9
135.07932	0.7
139.11163	16.0
142.07732	2.4
144.05699	0.6
145.06487	1.3
145.10046	2.6
146.10837	1.5
147.04375	5.4
147.08023	1.7
147.11658	9.2
148.06174	0.5
148.08611	0.5
150.96901	0.8
157.10098	2.5
157.12225	1.1
160.05183	1.6
160.08794	1.1
160.12468	1.6
173.13258	0.8
175.03932	2.5
175.07471	5.0
175.11221	5.5
175.14799	39.2
176.07021	1.3
176.15123	2.0
189.72917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03922	1.3
55.01843	1.2
55.05263	1.2
55.05502	12.3
57.07062	1.8
62.44481	0.8
63.95602	0.8
65.03937	1.0
67.05484	3.9
69.03400	1.5
69.07050	19.2
70.06564	1.7
71.02029	1.8
71.04975	2.7
73.02917	0.8
79.04478	0.8
79.05487	7.0
81.07047	15.1
83.08594	4.0
84.08166	0.9
85.02917	1.1
85.06518	1.1
91.05462	22.8
92.05799	1.0
93.07023	8.8
95.04932	2.0
95.08592	12.4
97.02878	1.8
98.51603	1.0
98.98448	41.3
103.05438	2.1
104.06265	0.9
105.07010	46.7
106.07346	1.4
107.04934	1.7
107.08582	9.5
109.06503	1.5
109.10087	1.1
112.82698	0.8
115.03909	1.2
115.05425	5.8
116.97177	1.2
116.99466	1.5
117.07011	7.2
119.04911	2.0
119.08558	100.0
120.08118	0.9
120.08869	1.9
121.06477	0.8
121.10128	2.4
128.06194	1.9
129.06992	2.8
130.06490	3.1
131.04901	1.7
131.08543	9.7
132.05687	2.4
132.95787	1.1
133.06532	1.6
133.10106	69.6
134.10422	1.3
142.07776	2.7
143.04871	1.8
145.06404	2.0
145.10089	5.7
146.10863	3.8
147.04393	3.3
147.08081	4.5
147.11665	16.1
148.07491	1.3
157.10150	2.1
160.05188	5.1
160.08842	2.0
160.12427	2.9
173.13278	2.7
175.03879	3.7
175.05338	0.7
175.06053	1.3
175.07495	12.4
175.11195	9.0
175.14799	87.5
176.03325	0.9
176.06894	1.8
176.15125	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01863	2.7
55.05506	1.2
56.96555	7.0
57.03430	5.6
58.03747	0.5
58.99860	0.9
59.04996	0.5
60.05640	31.9
61.02914	2.5
66.82982	0.3
67.05506	0.8
68.05032	0.5
69.03416	5.1
69.17781	0.3
70.03786	0.4
70.06580	100.0
70.98109	0.5
70.99847	0.8
71.01344	1.0
71.04978	3.1
71.06911	0.9
71.58255	0.5
72.08146	8.7
73.02903	9.0
74.03233	0.3
74.06088	0.4
74.97613	0.6
75.01904	0.3
77.00901	1.1
81.01905	0.4
81.03406	2.8
82.99844	0.5
83.00800	0.4
83.04974	0.7
84.08132	9.2
84.96037	0.4
85.01402	2.1
85.02888	5.9
85.06530	1.5
86.03216	0.4
86.03685	0.5
86.99286	0.4
87.04460	0.5
88.02682	1.7
88.07619	0.9
88.99197	0.5
89.00811	0.6
89.02429	0.3
90.02433	0.4
91.00506	0.7
91.05479	0.8
92.01306	0.3
93.01912	0.5
94.02670	0.4
96.01545	0.8
96.02408	0.5
97.02872	8.3
97.07667	0.8
98.06039	0.9
98.97566	5.5
98.98460	2.4
99.04446	1.6
100.52675	0.4
100.99142	0.6
101.00863	7.6
101.01546	0.5
102.00974	1.1
102.02386	2.4
103.00651	1.5
103.02435	8.9
103.03119	0.7
103.03925	0.4
104.02031	0.4
104.02605	0.4
105.02094	0.5
105.06992	0.6
107.01677	0.6
107.03435	0.4
108.02408	0.5
109.02909	1.2
110.01276	0.9
110.02133	2.1
110.97577	1.1
111.02133	0.5
111.02910	3.0
111.21734	0.3
111.52970	0.7
111.53652	0.7
112.01035	1.3
112.02876	0.4
112.03727	0.7
112.07596	2.9
112.08702	3.5
113.00846	1.7
113.02631	0.3
113.07048	0.4
114.02440	0.5
114.10265	0.5
115.02408	2.3
115.03156	0.6
115.03986	0.5
115.05884	0.4
115.08717	1.0
116.01379	0.3
116.02137	1.3
116.07075	26.6
116.98615	2.9
117.02139	0.6
117.02934	0.7
117.03986	0.6
118.03654	0.3
118.08625	0.5
119.01894	29.1
119.08544	0.4
120.01974	2.5
120.03410	2.8
120.53599	0.4
121.01624	4.5
121.02449	0.4
121.02614	0.5
121.03463	4.4
122.02106	0.4
123.02919	1.1
124.01874	0.5
125.02660	1.0
126.03438	0.6
127.02424	0.8
127.03957	1.3
128.02269	2.0
128.98607	1.7
129.00301	0.4
129.03072	0.5
129.03929	1.9
129.10222	0.8
130.08658	3.6
130.09758	12.0
130.12308	1.1
131.01871	4.5
131.02689	0.5
132.02052	1.2
132.03441	0.6
133.01788	1.7
133.03436	14.8
134.03600	0.8
134.99648	1.3
135.03107	0.4
135.04990	0.4
137.02914	7.1
138.03168	0.5
139.02539	0.7
139.04118	0.4
140.03203	0.8
141.06712	0.4
142.03500	0.9
143.00172	0.5
143.01871	3.3
144.02045	0.4
144.03317	0.4
144.13838	1.0
144.98096	1.1
144.99820	0.7
145.01663	1.6
145.03429	7.1
146.02245	0.4
146.03442	1.1
146.99611	1.1
147.01372	1.4
147.03209	0.9
147.05052	0.7
149.02963	0.8
150.99075	0.4
151.04506	5.6
154.04741	0.7
155.01884	1.8
155.03696	1.0
156.02023	0.5
156.04938	0.4
157.01631	0.8
157.03445	3.3
157.10861	1.2
158.03644	0.7
158.09235	5.4
158.11714	0.4
159.05084	0.5
161.01404	0.7
161.02919	5.7
161.04207	0.3
162.03014	0.8
162.99130	1.3
163.02763	1.3
163.04375	2.5
165.02351	0.5
167.01859	0.6
169.00020	0.6
169.03510	0.5
170.99744	0.4
171.01414	1.0
171.04996	1.6
173.02913	3.0
174.03110	1.1
174.04462	0.4
174.99184	0.7
175.02818	1.3
175.04474	16.5
175.11894	17.7
175.14453	1.6
176.04663	1.0
176.12357	0.4
177.00772	0.4
177.02402	0.3
179.03926	0.8
181.00235	0.3
181.05603	0.5
185.02936	2.5
186.03033	0.7
186.04533	0.4
187.00909	0.4
187.02692	1.0
187.04482	0.7
189.00845	0.7
189.02469	1.9
189.06216	0.4
191.00504	0.4
191.03986	0.4
193.00179	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1115
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
50.08926	0.7
53.03934	1.6
55.01862	1.7
55.05507	7.6
57.03156	1.3
57.03426	18.5
60.05603	1.0
61.02913	0.7
65.03925	2.0
67.05496	11.0
69.03403	2.0
69.07063	14.6
69.52883	6.9
70.06593	1.4
75.11557	0.7
79.05485	8.2
81.03387	1.2
81.07046	8.7
83.04941	1.3
83.08601	2.7
91.05466	29.5
91.06037	1.4
93.07030	5.6
95.04956	10.6
95.08606	6.1
97.02901	1.3
98.98454	32.5
103.05439	2.9
103.97223	0.8
105.07013	46.1
107.04949	5.1
107.08585	5.6
111.04446	0.9
114.21146	0.7
115.05437	3.1
116.06253	1.0
116.99461	0.9
117.06998	7.8
119.04905	2.3
119.08563	100.0
120.08921	1.8
121.06487	3.6
121.10123	2.9
121.81604	0.8
127.03908	1.1
128.06195	2.5
129.06978	9.1
130.06558	1.1
131.04901	3.4
131.08543	9.0
131.36414	0.7
132.05699	2.9
133.06474	22.6
133.10107	62.7
134.10426	1.2
135.08043	1.3
135.11618	0.7
139.03935	0.8
140.01180	0.8
142.07751	7.3
145.06485	8.3
145.10071	6.8
146.07249	22.6
146.10834	1.0
147.04379	3.4
147.08029	52.5
147.11664	20.9
157.07617	1.5
157.10092	10.2
160.05179	1.6
160.08839	6.8
160.12488	2.8
173.13226	1.3
175.03926	9.6
175.06035	0.9
175.07578	7.8
175.11166	74.6
175.14790	70.8
175.16382	1.7
176.07079	1.1
176.11526	2.7
176.15112	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0751
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
53.03943	1.1
55.01859	3.8
55.05493	5.4
63.17177	0.6
67.05495	2.8
69.03417	2.5
69.07057	11.4
69.38401	7.7
78.04688	4.4
79.05473	5.6
80.50633	0.7
81.07040	6.7
83.08605	2.2
91.05461	56.3
92.05779	1.2
93.07030	4.8
95.04954	2.0
95.08594	3.7
98.98447	10.1
103.05437	5.9
104.06229	19.8
105.03384	2.2
105.07018	23.5
107.04932	13.9
107.08571	3.8
110.97985	0.6
113.25949	0.7
115.05429	35.7
116.06267	0.8
117.06159	1.5
117.06998	28.5
118.07267	1.1
119.04929	1.6
119.08555	100.0
120.08879	1.8
121.06552	0.7
121.10132	1.4
128.06198	23.1
128.57002	0.7
129.06987	17.6
130.06462	1.4
131.04886	7.1
131.08572	4.4
132.05682	68.7
133.06067	2.0
133.10097	43.5
135.74501	0.7
142.07753	1.2
143.04901	2.4
144.05750	0.9
145.06462	9.3
145.10078	5.4
146.07178	1.1
146.10931	0.9
147.04436	1.6
147.08020	51.3
147.11667	7.9
148.08406	1.9
155.06041	3.3
157.06383	1.0
157.07613	1.5
157.10101	2.3
160.05165	48.1
160.12434	2.1
161.05510	1.6
173.13234	2.0
175.07510	81.2
175.11052	6.7
175.14795	48.8
175.16353	1.6
176.07927	3.2
176.15053	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03935	1.2
54.62057	0.5
55.01865	2.8
55.05497	4.5
55.44827	0.5
63.02356	0.5
65.03914	0.8
67.05482	2.5
69.03416	2.6
69.07059	11.1
69.86816	3.6
74.21835	0.5
78.04703	3.7
79.05482	6.2
81.03387	0.7
81.07034	5.4
83.08599	2.6
89.03908	0.6
91.05463	55.8
92.05791	1.5
93.07020	5.8
95.04956	1.6
95.08601	5.2
98.98447	10.4
103.05446	7.1
103.11381	0.5
104.06229	20.6
105.03368	1.7
105.04509	0.7
105.07011	21.7
105.07719	1.0
107.04229	0.9
107.04931	12.3
107.08564	3.5
109.06556	0.5
111.04478	0.5
115.05433	33.2
116.06255	1.2
117.06998	27.6
119.04930	1.3
119.08555	100.0
120.08875	2.0
121.06444	1.1
121.10123	0.6
125.32061	0.6
127.05399	1.1
128.06201	21.7
129.06989	15.8
131.04900	7.4
131.08527	4.0
132.05684	67.1
133.05951	1.4
133.10098	41.1
134.10400	0.9
142.07729	1.2
143.04910	3.0
145.06458	8.6
145.10101	4.9
146.07164	1.2
147.04338	1.7
147.08018	48.9
147.11664	8.5
148.08379	1.7
155.06004	3.2
157.06392	0.9
157.07584	1.1
157.10094	2.4
160.05170	43.2
160.12433	1.5
161.05486	1.8
173.13232	1.4
175.07512	88.1
175.11031	5.8
175.14793	54.5
176.07959	4.0
176.15074	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0758
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
52.47926	0.4
53.00285	0.4
53.03946	0.6
55.01856	0.5
55.05506	1.0
55.77117	0.4
56.05030	2.8
57.03428	9.5
60.04517	45.9
61.02911	1.2
67.05509	0.7
68.05019	4.6
69.03420	18.0
69.07052	0.9
69.70737	1.9
69.71156	0.6
70.06602	0.3
71.00211	0.3
72.04516	0.6
77.53977	0.4
79.05482	0.5
81.07056	0.7
83.04951	0.6
84.04494	34.2
85.02892	13.8
85.04809	0.6
86.06051	3.6
91.03925	1.2
91.05470	3.3
92.05785	0.5
93.07034	0.5
95.04974	0.4
95.08595	0.8
96.04478	14.6
97.02879	100.0
98.03200	2.1
98.06051	0.7
98.98461	3.6
100.03957	1.0
101.98026	0.3
102.05528	8.5
103.05443	0.4
105.07014	3.7
108.71036	0.3
111.04395	0.4
112.04771	0.4
114.05513	37.7
115.03917	7.5
115.05345	0.3
115.05854	0.5
117.07005	0.5
118.06519	0.4
119.04894	0.5
119.08560	7.0
120.08868	0.5
126.05496	0.6
128.06157	0.6
129.06947	0.8
131.08501	0.5
132.05682	1.0
132.06541	4.3
132.08888	2.3
132.95744	0.5
133.06438	0.5
133.10112	5.1
138.05499	1.4
142.07764	0.9
144.08896	0.8
145.10016	0.8
146.10440	1.1
147.04393	0.5
147.08018	1.4
147.11668	0.6
156.06490	2.2
157.10074	0.6
159.11215	1.3
160.05177	1.0
160.08846	0.7
174.07596	74.0
175.06024	0.6
175.07584	3.0
175.11140	2.4
175.14813	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	174.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47926	0.4
53.00285	0.4
53.03946	0.6
55.01856	0.5
55.05506	1.0
55.77117	0.4
56.05030	2.8
57.03428	9.5
60.04517	45.9
61.02911	1.2
67.05509	0.7
68.05019	4.6
69.03420	18.0
69.07052	0.9
69.70737	1.9
69.71156	0.6
70.06602	0.3
71.00211	0.3
72.04516	0.6
77.53977	0.4
79.05482	0.5
81.07056	0.7
83.04951	0.6
84.04494	34.2
85.02892	13.8
85.04809	0.6
86.06051	3.6
91.03925	1.2
91.05470	3.3
92.05785	0.5
93.07034	0.5
95.04974	0.4
95.08595	0.8
96.04478	14.6
97.02879	100.0
98.03200	2.1
98.06051	0.7
98.98461	3.6
100.03957	1.0
101.98026	0.3
102.05528	8.5
103.05443	0.4
105.07014	3.7
108.71036	0.3
111.04395	0.4
112.04771	0.4
114.05513	37.7
115.03917	7.5
115.05345	0.3
115.05854	0.5
117.07005	0.5
118.06519	0.4
119.04894	0.5
119.08560	7.0
120.08868	0.5
126.05496	0.6
128.06157	0.6
129.06947	0.8
131.08501	0.5
132.05682	1.0
132.06541	4.3
132.08888	2.3
132.95744	0.5
133.06438	0.5
133.10112	5.1
138.05499	1.4
142.07764	0.9
144.08896	0.8
145.10016	0.8
146.10440	1.1
147.04393	0.5
147.08018	1.4
147.11668	0.6
156.06490	2.2
157.10074	0.6
159.11215	1.3
160.05177	1.0
160.08846	0.7
174.07596	74.0
175.06024	0.6
175.07584	3.0
175.11140	2.4
175.14813	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	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03931	0.9
55.01862	0.5
55.05500	11.4
57.03423	1.4
57.07053	1.8
58.07403	1.2
59.04984	2.1
59.33731	0.4
67.05489	2.9
69.03404	0.5
69.07053	1.6
71.04980	0.4
71.08617	1.5
71.70532	0.5
72.93774	1.6
73.02899	0.5
74.06069	0.6
76.02203	0.6
79.05482	2.5
81.03425	0.7
81.07059	2.5
83.04964	11.2
87.04437	1.5
88.07617	3.7
89.02376	1.0
89.07949	1.6
90.90365	0.8
90.94796	1.3
91.05464	12.1
93.07027	1.5
95.04928	0.6
95.08603	0.5
96.04430	0.6
98.98438	0.5
99.08023	0.5
101.05999	7.5
102.09159	1.7
103.03262	1.2
103.05430	1.8
103.09494	1.0
105.07015	12.8
108.95869	0.4
109.27362	0.5
111.04420	10.7
113.06000	1.4
114.05523	0.8
115.03917	0.6
115.05412	3.7
116.06215	3.2
117.06998	10.1
117.11049	0.4
119.08556	12.4
127.07522	1.4
128.06206	1.7
128.07053	0.7
129.05476	5.5
129.06975	11.8
130.07784	4.8
131.08543	83.2
132.08893	2.3
133.09166	0.4
133.10094	2.9
142.07715	1.4
143.08534	25.7
144.09317	8.5
145.06471	3.0
145.10098	30.6
146.05956	0.7
146.10483	0.6
149.94057	0.8
153.07097	0.5
155.05861	0.8
155.07004	8.7
155.08502	1.6
156.09294	2.2
157.10091	1.4
158.07256	1.7
158.10890	36.6
159.11687	2.8
167.97150	0.4
171.11650	2.5
172.37106	0.4
173.02264	2.9
173.05870	1.7
173.08139	10.9
173.09622	7.2
173.13234	100.0
173.17290	10.6
174.05559	0.6
174.07564	1.2
174.13733	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	174.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99905	0.6
55.01861	0.8
55.05502	1.7
55.93518	0.7
56.05024	6.2
56.05835	1.7
56.96558	18.1
57.03425	2.9
58.99845	1.4
59.06103	2.5
59.49876	0.6
60.04519	1.3
68.05013	1.1
69.03422	0.9
69.04540	0.6
70.06595	0.8
70.95528	0.7
70.95858	7.6
71.69557	1.0
72.04498	1.3
72.93777	8.0
73.06531	1.8
73.93823	0.7
74.06892	0.7
75.05575	0.9
77.00893	1.2
81.04574	0.6
82.99811	0.6
83.04956	0.9
83.06095	1.1
83.97615	2.0
84.04486	1.5
84.05293	1.9
85.01416	1.0
85.02899	1.4
85.04008	0.7
86.06033	1.2
87.05573	2.8
88.03970	0.8
88.96889	2.8
90.94813	4.3
91.05453	1.3
94.88046	0.6
95.01919	0.7
96.04492	1.5
97.02882	1.9
98.07148	0.9
98.97572	2.6
98.98449	16.4
99.05560	0.8
100.02458	1.6
101.00851	8.0
102.00977	0.7
102.02197	0.8
102.06298	0.7
103.02435	7.2
105.05503	0.7
105.07018	1.2
107.15836	0.7
108.95833	1.3
109.05299	0.6
109.95924	0.7
110.06064	0.7
111.04442	0.9
111.98453	5.0
112.04737	1.4
113.96341	0.9
113.98633	4.1
114.04027	2.5
114.05501	1.8
114.06660	0.8
115.02441	2.1
116.01997	0.7
116.07103	0.8
116.98599	2.8
118.03487	3.7
118.06532	1.9
119.01903	72.6
119.08546	1.0
119.54063	0.7
120.02010	7.7
120.03203	1.0
121.01634	3.9
121.02597	0.8
121.03471	5.8
126.06612	2.4
127.05025	0.8
128.01918	2.4
128.07039	1.6
128.07896	0.9
129.05487	0.8
129.99510	3.6
130.05785	1.1
131.97394	2.1
131.99686	14.7
132.01393	2.5
132.05052	44.3
132.08061	2.3
132.95808	10.8
133.01392	1.0
133.02357	1.4
133.03447	17.1
133.05141	2.1
133.10112	0.9
134.02083	0.8
134.02968	5.7
134.99640	3.1
135.03149	1.6
136.02715	1.0
136.04547	2.5
137.02942	36.7
138.03038	4.5
139.02634	2.0
140.01199	1.0
142.03477	5.8
144.08086	0.8
145.03413	4.3
146.05948	1.3
146.08102	1.6
147.03749	10.5
148.02759	1.0
149.96101	1.0
149.98506	1.8
150.00723	18.7
150.02461	25.3
150.06093	34.4
150.96867	34.0
150.98875	0.7
151.02563	2.7
151.03558	1.2
151.04500	8.8
151.05690	0.8
151.06178	1.3
151.97206	0.6
152.02150	0.8
152.03999	1.0
153.00970	0.7
155.06633	3.1
155.97391	5.7
156.05023	8.5
156.07454	1.8
157.03462	1.3
157.04668	1.8
160.04590	1.0
162.03122	0.8
163.04462	2.1
165.04842	5.7
167.97136	1.6
168.01836	2.5
168.03531	7.7
168.97897	1.4
169.03433	2.5
169.04703	1.5
173.02429	1.2
173.04085	0.9
173.07767	1.9
173.98491	8.0
174.02815	2.1
174.06105	100.0
174.08600	3.4
174.12627	3.3
175.04494	25.7
175.05988	3.2
175.07634	1.0
178.06172	0.7
180.52724	0.6
182.37236	0.6
183.06291	0.6
192.01895	0.8
192.03488	1.6
192.05281	0.9
192.07124	20.4
193.05536	0.9
193.07222	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1164
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
50.92477	0.4
51.09028	0.4
53.03922	0.6
55.01865	0.6
55.05271	0.6
55.05511	6.5
58.49081	0.4
65.03937	0.6
67.05496	2.0
69.07066	0.7
71.70926	0.5
72.04509	8.6
75.67943	0.4
79.05479	2.0
81.07091	0.8
81.54057	0.5
83.05004	0.6
83.08611	2.7
89.07151	5.3
91.05464	9.4
92.27236	0.4
93.07050	0.8
96.08084	0.5
97.10162	1.1
103.05463	0.7
105.07014	2.9
107.08562	0.6
111.04440	1.1
111.56169	0.4
112.19485	0.4
115.05456	4.2
117.07013	6.4
125.05980	0.5
126.05499	0.6
128.05482	0.3
128.06206	16.3
129.06990	70.5
130.07710	2.5
131.08537	2.0
137.02888	0.4
141.06981	5.6
142.07791	3.3
143.08546	39.3
144.08913	0.9
145.06465	1.1
148.40158	0.4
155.06033	0.7
155.08549	1.4
156.09331	13.4
156.34239	0.4
157.09862	0.6
169.10124	2.1
171.11673	100.0
172.09659	0.8
172.12062	3.9
192.35443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64786	0.3
51.13146	0.3
51.88340	0.3
53.03931	0.5
55.01866	0.3
55.05504	5.5
57.03431	0.4
57.07077	0.3
67.05499	1.6
69.03411	0.3
69.07058	0.7
69.66754	2.6
70.37923	0.3
72.04505	6.7
78.41754	0.3
79.05484	1.5
81.07045	0.7
83.04974	0.7
83.08617	1.8
89.07136	4.4
91.05466	10.5
93.07037	0.8
95.04967	0.4
97.06514	0.4
98.21448	0.3
103.05474	1.0
105.07017	4.2
107.08600	0.4
111.04425	0.7
115.05437	5.7
117.06998	7.1
118.07320	0.3
120.82687	0.3
123.11116	0.3
125.05993	0.9
128.06203	17.4
129.06987	75.1
130.07709	3.6
131.04893	0.3
131.08559	3.0
132.23418	0.4
141.06958	5.2
142.07762	5.1
143.08543	41.2
144.08891	1.3
145.06441	1.4
153.05417	0.6
154.07741	0.5
155.06010	1.3
155.08542	1.3
156.09328	11.8
157.09756	0.5
169.10138	2.1
171.11662	100.0
172.05934	0.4
172.12018	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	171.1014
Annotation	Isoboonein
Peak:m/z	Relative Intensity
53.03931	3.9
55.01867	22.4
55.05508	49.2
56.05035	2.3
56.93601	1.2
56.96561	1.7
57.03431	8.0
57.04536	1.3
57.07060	4.9
59.04985	4.2
59.06116	4.5
65.03928	8.1
67.05497	63.6
68.05817	1.6
68.99783	2.2
69.03429	9.4
69.07056	28.1
69.17565	1.2
70.06573	4.9
71.04988	29.0
71.69711	2.2
71.70415	1.6
71.97949	1.2
72.04513	30.9
72.08145	18.3
73.02908	4.9
73.06546	3.8
75.04480	1.2
75.05584	1.5
79.05486	85.6
81.03407	4.6
81.07049	49.2
81.07542	2.0
82.07393	1.2
83.01337	7.0
83.04967	23.1
83.06082	3.0
83.08607	15.7
84.04497	1.8
84.08125	2.6
85.02882	2.8
85.06533	34.2
85.07661	2.5
86.06045	1.3
86.09689	2.5
87.04456	5.0
88.95249	3.2
89.07141	21.7
91.05467	26.1
93.03400	3.7
93.07036	52.7
95.04950	5.6
95.08595	20.2
97.02880	8.3
97.06520	15.2
97.10153	4.1
98.06070	1.3
99.04443	33.7
99.05492	1.8
101.02361	5.0
101.07220	1.1
105.07020	10.2
107.04948	34.7
107.08582	100.0
108.08914	4.1
109.06493	8.2
109.10159	21.2
110.07204	1.4
111.04433	32.2
111.08072	18.5
111.09194	5.2
112.07618	1.9
112.08800	1.6
113.07120	1.8
113.10737	2.2
115.05466	7.9
117.01451	1.3
117.07016	24.9
119.06089	2.0
123.11713	9.3
125.05965	5.2
125.08013	1.2
125.09625	21.5
126.09171	2.2
128.06213	11.0
129.05452	2.0
129.06979	4.8
135.08046	42.4
135.11676	20.8
136.08372	1.3
139.00284	3.8
139.03870	9.6
141.06990	3.5
141.12718	6.0
142.07755	1.6
143.05984	3.4
143.08524	11.0
145.01505	1.6
147.96817	2.1
148.97635	1.3
153.05492	3.2
153.09097	21.7
153.12743	17.5
154.06116	1.2
154.09767	3.2
156.03723	2.8
156.09334	23.8
157.01305	3.6
161.46553	1.4
165.97881	2.2
171.02979	2.8
171.04286	2.2
171.06563	3.0
171.08017	4.9
171.10078	5.9
171.11687	15.2
171.13753	2.9
171.14946	12.5
172.07437	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03470	0.3
55.01866	8.3
55.05511	2.1
56.05036	0.6
56.96552	2.7
57.03429	1.1
58.99857	0.4
59.04992	0.7
61.02924	0.4
63.52747	0.3
65.03918	0.3
67.05482	0.5
68.05009	0.8
68.99783	1.0
69.03408	0.8
69.07063	0.6
70.06578	0.8
70.75859	1.2
71.04993	0.7
71.95266	0.7
72.04498	2.8
72.08150	1.0
73.02924	0.5
77.00889	0.7
79.05485	0.6
81.03421	0.5
81.04537	0.9
81.07056	0.8
83.01344	1.1
83.04964	0.6
83.08604	1.3
84.04481	0.6
85.02905	0.8
85.07652	0.8
87.04460	2.3
89.07146	2.5
90.71638	0.4
93.07013	0.4
95.06083	7.6
96.06860	64.8
97.02892	1.7
97.06618	0.7
97.07661	7.8
98.97584	1.4
99.04423	0.4
100.02522	0.4
100.03982	1.2
101.00870	1.3
103.02445	0.8
110.01258	0.5
110.97564	0.6
111.00796	1.2
111.04449	1.6
114.04046	0.4
115.03935	1.2
116.98610	1.6
118.03477	0.7
119.01904	10.1
120.02007	0.6
121.01649	2.5
121.03500	0.6
125.07102	57.3
126.05479	0.6
126.07442	0.8
126.09100	0.6
127.04012	0.4
128.02330	0.6
128.06242	0.7
128.98602	1.8
129.03995	0.3
131.01892	1.2
133.01639	0.4
133.03456	0.7
134.99646	1.2
137.02928	3.3
138.03036	0.4
139.00249	14.2
139.02657	0.9
139.03847	0.9
142.03468	0.9
143.74701	0.4
145.03503	0.7
146.99609	3.8
147.01378	1.2
147.04990	0.4
148.01501	1.5
149.01196	0.6
149.02937	0.4
151.04501	0.5
153.05408	0.7
153.06575	1.4
153.07626	0.4
154.08618	0.8
154.85666	0.3
156.09401	0.5
157.01312	19.7
157.03429	0.7
161.02939	0.6
163.04514	0.4
171.02898	3.8
171.07629	100.0
171.11354	2.1
171.14883	2.2
172.02797	0.4
172.07953	1.5
172.09596	0.8
189.02393	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0763
Annotation	N-Nitrosoguvacoline
Peak:m/z	Relative Intensity
54.03470	0.3
55.01866	8.3
55.05511	2.1
56.05036	0.6
56.96552	2.7
57.03429	1.1
58.99857	0.4
59.04992	0.7
61.02924	0.4
63.52747	0.3
65.03918	0.3
67.05482	0.5
68.05009	0.8
68.99783	1.0
69.03408	0.8
69.07063	0.6
70.06578	0.8
70.75859	1.2
71.04993	0.7
71.95266	0.7
72.04498	2.8
72.08150	1.0
73.02924	0.5
77.00889	0.7
79.05485	0.6
81.03421	0.5
81.04537	0.9
81.07056	0.8
83.01344	1.1
83.04964	0.6
83.08604	1.3
84.04481	0.6
85.02905	0.8
85.07652	0.8
87.04460	2.3
89.07146	2.5
90.71638	0.4
93.07013	0.4
95.06083	7.6
96.06860	64.8
97.02892	1.7
97.06618	0.7
97.07661	7.8
98.97584	1.4
99.04423	0.4
100.02522	0.4
100.03982	1.2
101.00870	1.3
103.02445	0.8
110.01258	0.5
110.97564	0.6
111.00796	1.2
111.04449	1.6
114.04046	0.4
115.03935	1.2
116.98610	1.6
118.03477	0.7
119.01904	10.1
120.02007	0.6
121.01649	2.5
121.03500	0.6
125.07102	57.3
126.05479	0.6
126.07442	0.8
126.09100	0.6
127.04012	0.4
128.02330	0.6
128.06242	0.7
128.98602	1.8
129.03995	0.3
131.01892	1.2
133.01639	0.4
133.03456	0.7
134.99646	1.2
137.02928	3.3
138.03036	0.4
139.00249	14.2
139.02657	0.9
139.03847	0.9
142.03468	0.9
143.74701	0.4
145.03503	0.7
146.99609	3.8
147.01378	1.2
147.04990	0.4
148.01501	1.5
149.01196	0.6
149.02937	0.4
151.04501	0.5
153.05408	0.7
153.06575	1.4
153.07626	0.4
154.08618	0.8
154.85666	0.3
156.09401	0.5
157.01312	19.7
157.03429	0.7
161.02939	0.6
163.04514	0.4
171.02898	3.8
171.07629	100.0
171.11354	2.1
171.14883	2.2
172.02797	0.4
172.07953	1.5
172.09596	0.8
189.02393	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01865	5.5
55.05499	2.1
55.93506	0.4
56.05024	1.4
56.05846	0.4
56.96558	31.4
57.03431	1.6
57.07103	0.5
58.06592	0.9
58.99857	0.4
59.06119	0.6
60.04524	0.7
60.95837	1.0
61.02931	1.3
65.03938	1.1
65.08357	0.4
66.04264	0.5
67.05485	2.7
68.05025	1.5
68.05833	0.8
68.34225	0.4
68.99778	6.5
69.03423	3.7
69.07071	1.2
70.06580	2.5
70.98103	4.3
71.01348	1.4
71.04973	1.1
71.70454	0.6
71.95251	0.6
72.04516	2.1
72.08135	3.5
72.93787	0.5
73.02903	2.0
74.06094	0.5
74.97594	1.9
75.04472	0.5
77.00882	1.1
79.05484	4.1
80.05011	1.2
80.05817	0.6
80.47088	0.4
81.03417	2.9
81.04536	0.4
81.05791	1.0
81.07040	3.0
82.01390	0.4
82.02924	0.4
82.03736	0.5
82.06561	1.9
82.07365	0.5
83.01305	0.5
83.04984	2.3
83.06104	1.9
83.08618	0.6
84.01562	1.0
84.04514	2.2
84.05269	0.4
84.08122	1.5
84.94872	0.9
84.96026	1.5
85.02882	2.8
85.07667	1.7
86.06055	1.2
86.09688	0.5
86.99303	0.4
87.04462	1.6
88.07603	0.5
88.96950	0.4
88.99155	2.5
89.00777	0.6
89.07167	0.7
91.00475	0.6
91.05475	3.5
92.04991	1.0
92.98618	0.6
93.03362	0.4
93.05775	1.6
93.07045	1.1
94.06554	1.4
94.07366	0.6
95.04959	2.6
95.06071	1.1
95.08582	0.5
96.04489	1.0
96.05285	0.8
96.06865	1.3
96.08116	3.6
96.08925	1.3
96.99236	0.4
97.02292	0.7
97.02872	2.7
97.06507	1.3
97.07651	1.2
97.99182	0.7
98.01302	0.5
98.06055	1.8
98.09682	0.5
98.97575	6.1
99.04459	0.7
99.05526	0.9
99.09180	0.6
99.99961	0.8
100.02463	1.9
100.03963	0.4
100.07591	1.2
100.99149	0.7
101.00836	1.5
101.02509	0.5
102.05559	0.5
102.96985	0.6
103.02428	3.4
104.01296	0.4
105.00371	0.7
105.02114	0.4
105.07043	0.5
106.01022	1.9
106.01701	0.7
106.06546	2.6
106.07354	1.3
107.00185	1.3
107.02618	0.3
107.03422	0.9
107.04922	2.3
107.06100	0.4
108.04456	0.4
109.00476	0.7
109.01347	1.3
109.02907	2.3
109.06483	1.4
109.07658	1.1
110.03019	0.6
110.03700	0.8
110.06040	1.6
110.07129	1.2
110.97525	3.1
111.00154	1.8
111.00871	0.6
111.04454	2.1
111.05555	1.2
111.09197	1.4
112.04744	0.5
112.07578	0.9
113.07121	0.5
114.01560	0.4
114.05515	0.8
114.09163	0.4
114.52137	0.4
115.00500	0.4
115.01559	0.8
115.02341	1.7
115.03873	0.5
115.05383	0.4
116.00173	0.8
116.01228	0.5
116.98614	5.3
117.02139	0.6
117.51772	0.5
118.01015	5.7
118.01877	1.9
118.03484	1.9
119.00188	0.9
119.01892	9.5
119.02723	0.5
119.03471	0.5
119.04924	1.1
120.00758	3.1
120.02058	0.5
120.03254	0.4
120.52119	0.5
121.01652	0.9
121.03499	2.1
121.06480	1.4
121.52929	0.4
122.05999	0.7
122.06959	0.4
122.09660	0.4
123.01235	0.5
123.04425	2.8
123.06801	0.6
123.07949	0.5
124.02858	0.5
124.03925	0.5
124.04766	0.5
124.07584	9.5
124.08460	1.5
125.01765	0.4
125.02604	0.6
125.03515	0.4
125.05995	0.8
125.07091	1.8
125.10745	1.5
127.01517	21.5
127.03922	1.0
127.08661	0.5
127.51707	1.3
128.07069	0.8
128.98601	7.8
129.00323	0.8
129.01840	7.1
129.03925	0.9
129.51785	1.4
130.02110	0.6
130.53380	0.5
131.00195	0.4
131.01898	1.4
132.02019	0.7
132.04301	0.5
133.01567	4.0
133.03484	1.0
133.51645	0.4
134.01256	0.9
134.05994	68.0
134.99646	4.2
135.03270	0.6
135.04411	1.8
135.06363	1.5
135.51787	0.4
136.02032	4.2
136.04651	0.6
136.06177	1.8
137.02904	2.6
137.04828	0.6
137.05936	1.0
138.05461	0.6
138.52278	3.3
139.00252	6.4
139.02620	0.7
139.03873	0.5
141.05452	0.5
142.01912	0.7
142.03471	1.2
142.05862	0.9
142.07552	0.6
142.08614	2.9
142.12251	1.0
143.00145	0.4
143.03354	0.8
144.03299	0.4
144.05081	0.6
144.52283	0.9
145.01582	0.4
145.03426	0.9
146.96127	0.6
146.97206	0.6
146.99629	13.7
147.01366	7.7
147.03169	1.8
147.05055	4.0
149.01199	0.6
149.02864	0.5
152.07042	100.0
153.05424	1.1
153.07495	2.6
153.09103	0.4
153.10210	1.2
156.01813	0.8
156.07980	0.5
156.51869	0.4
157.01303	13.6
158.01244	0.5
158.99557	0.5
161.01208	1.1
161.02943	1.5
161.04535	0.3
162.06094	0.5
162.99174	0.6
164.95872	0.5
165.00694	3.5
165.02432	1.3
165.04132	0.6
165.06078	1.1
165.97882	0.5
168.06406	0.4
169.03415	0.9
170.01291	1.1
170.02974	4.2
170.05148	0.8
170.06688	0.9
170.08102	18.2
170.09566	5.6
170.11702	1.1
170.12910	1.2
170.99667	0.7
171.01486	0.6
171.02960	1.8
171.05165	0.6
171.06418	0.7
171.07683	1.3
171.11253	3.6
171.14851	0.7
176.07622	0.5
177.00710	0.8
177.04233	0.6
183.01819	0.5
183.06554	0.6
185.01228	0.5
188.04131	0.5
188.07605	0.5
189.00653	1.5
189.02469	1.0
189.04211	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1221
Annotation	trans-2-Methyl-5-isopropylhexa-2,5-dienoic acid
Peak:m/z	Relative Intensity
51.02369	0.5
53.03944	2.1
55.01867	21.7
55.05504	14.9
57.03422	2.7
57.07065	7.4
59.04995	1.9
65.03938	4.0
67.05495	27.4
68.05032	0.4
68.05811	0.7
68.55289	0.5
68.99784	1.0
69.03420	2.9
69.07060	12.7
71.01344	2.5
71.04981	7.6
71.08620	0.8
71.70229	0.8
79.05023	0.8
79.05482	14.2
80.05017	0.9
80.05824	0.5
81.03423	2.5
81.07044	100.0
82.07371	2.6
83.04951	2.1
83.08604	1.4
85.02895	0.9
85.06536	6.3
87.25150	0.4
91.05468	6.1
92.05797	0.7
93.03373	0.8
93.07030	8.8
95.04951	12.6
95.08594	38.0
96.08148	0.6
96.08909	0.9
97.06522	3.6
97.10152	1.6
98.03645	0.5
99.04439	4.4
99.08084	0.8
101.94805	0.5
105.07017	7.1
107.04962	1.3
107.08576	7.1
109.02869	3.6
109.06505	20.4
109.10133	9.3
110.07143	0.7
111.00794	4.0
111.04436	6.6
111.08073	4.0
111.09216	1.0
113.00005	3.9
113.06004	4.2
115.05395	0.5
119.06032	0.5
119.62217	0.4
120.05300	0.9
121.10120	2.0
123.04427	2.5
123.08060	8.2
123.11689	72.0
124.07562	1.6
124.08431	0.4
124.12012	2.0
125.05974	1.2
125.09569	0.5
126.03111	5.0
127.03894	1.2
127.07544	1.8
133.06413	0.9
133.10107	3.5
134.05890	0.7
141.05450	13.1
141.06960	1.6
141.51425	0.4
142.03180	1.3
142.05753	0.6
142.08615	0.6
151.03906	1.1
151.07510	3.1
151.11159	8.4
152.07980	2.7
154.07718	2.1
155.03334	1.4
155.08485	0.7
169.04988	5.9
169.06372	0.6
169.07370	2.2
169.08624	2.1
169.10124	2.7
169.12212	4.4
170.05702	1.8
170.08109	1.4
170.09549	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0857
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
51.02383	1.2
53.03936	8.4
55.01866	8.3
55.05505	11.3
56.05016	2.4
56.96565	2.0
57.03421	3.0
57.07050	1.3
58.06575	1.8
59.06110	3.3
62.42901	1.4
65.03934	11.1
67.05494	40.7
68.05005	4.0
68.99782	3.3
69.03413	4.8
69.07054	3.3
70.03024	1.1
70.06574	3.7
71.01337	2.9
71.04990	2.5
71.09404	4.1
72.08143	1.5
75.57403	1.1
77.14896	1.1
79.05480	73.7
80.05000	1.9
80.05827	2.3
81.03405	17.6
81.07043	42.1
82.06538	1.8
83.04964	7.1
83.06050	1.3
84.08142	2.9
85.02904	2.9
85.06524	2.2
86.18315	1.1
91.05470	25.9
93.03376	2.2
93.05793	1.6
93.07031	44.5
94.06543	1.5
95.04955	23.2
95.08589	74.1
96.08121	3.0
97.02886	4.6
97.06506	6.1
98.03667	2.0
98.06038	1.4
98.07174	1.4
99.04436	3.6
99.29600	1.3
100.07532	1.4
103.05452	15.3
105.04514	2.2
105.07011	100.0
106.07329	3.5
107.04938	23.4
107.08583	15.8
109.02859	13.6
109.06503	23.6
109.07637	3.5
109.10167	2.8
110.03664	1.6
110.06034	3.1
110.06980	1.4
111.00797	10.5
111.04435	14.6
111.08035	3.0
111.09194	11.6
113.06043	1.3
115.05412	2.7
121.06493	13.0
123.04421	12.6
123.07156	1.8
123.08046	27.3
123.09005	2.4
123.11676	2.5
124.06728	1.3
124.07582	4.4
124.08469	1.4
125.05937	9.7
126.03122	13.1
127.03957	3.2
128.07040	1.4
131.04910	4.6
133.02823	2.1
133.06479	24.9
138.02907	1.4
139.07555	3.0
141.05438	35.9
142.08609	1.9
151.03874	3.4
151.07520	40.5
151.08699	3.3
152.07040	3.8
152.08098	2.6
152.11794	2.3
154.02592	2.7
154.07713	2.7
155.03372	3.4
169.04962	18.5
169.07320	1.0
169.08574	18.3
169.09801	3.6
169.12100	1.4
170.05667	3.6
170.08095	2.6
170.09517	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	169.0859
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
52.01515	1.7
53.03935	5.8
55.01860	7.2
55.05501	33.3
56.05027	3.8
56.96560	54.3
57.03419	8.0
59.04982	3.3
59.06105	3.1
60.04504	2.7
60.95832	5.4
61.02907	2.5
65.03934	12.9
67.05497	66.4
68.05016	3.7
68.05832	1.9
68.99774	6.1
69.03422	38.7
69.07052	4.4
70.02176	3.0
70.02592	7.2
70.06578	6.9
70.98106	4.4
71.01342	4.0
71.04967	7.2
72.08134	4.3
73.02892	6.6
74.97607	2.3
79.05487	33.9
80.05034	2.0
81.03410	35.7
81.06596	3.4
81.07047	39.2
82.06570	3.2
82.94852	3.1
83.01324	2.0
83.04966	37.1
83.08600	2.8
83.28268	2.3
84.04469	3.4
84.08131	5.6
84.96004	4.3
85.02902	13.5
85.03979	1.9
85.06544	3.2
87.04451	8.0
88.99142	2.2
89.00784	2.1
91.05470	16.5
92.01263	2.3
93.05792	2.1
93.07030	27.9
94.06583	2.5
94.07353	1.9
95.04958	46.1
95.06003	1.7
95.06909	3.2
95.08595	100.0
96.05283	2.1
96.08103	4.4
97.02875	11.6
97.06528	10.0
97.07603	2.4
98.97569	11.9
99.04430	5.0
100.02485	4.3
100.99158	2.6
101.00850	2.1
102.96835	4.8
103.02380	3.5
103.05437	5.6
105.04520	2.3
105.07018	79.7
106.02766	3.0
106.06577	1.8
107.04954	8.5
107.08571	5.6
108.05655	4.4
109.02876	30.0
109.06504	33.5
109.07648	5.1
109.10188	2.2
110.01220	3.5
110.03686	3.4
110.06037	3.9
110.07205	2.1
110.97575	3.5
111.00778	9.0
111.03850	2.2
111.04447	30.9
111.08063	4.3
111.09201	11.3
112.00958	1.9
112.04794	2.5
115.02377	1.9
116.98596	7.1
117.01852	3.1
118.01014	6.5
118.03562	2.6
119.00133	2.5
119.01871	15.2
120.08057	4.3
120.97908	2.4
121.01576	3.8
121.06502	11.3
121.51669	1.9
123.04431	11.5
123.08062	85.7
123.09147	14.1
124.04675	2.9
124.07570	7.6
124.08402	2.6
125.02402	1.9
125.03516	1.6
125.06007	10.6
125.06869	2.0
125.10703	1.9
126.03114	13.2
127.01524	14.1
127.03880	5.6
128.98581	5.2
129.01825	5.4
131.00160	3.4
131.01862	5.4
132.00731	2.4
133.01591	4.4
133.05090	1.8
133.05464	2.1
133.06471	17.8
134.05995	40.7
134.99634	4.0
135.04401	3.2
137.02898	2.9
138.52264	2.0
139.07549	2.9
141.05457	41.7
145.01711	4.1
145.03481	4.0
146.99638	6.4
147.01363	1.9
147.03133	2.1
149.01236	3.2
151.02710	3.4
151.03889	8.2
151.05788	13.8
151.07524	25.6
151.08607	3.1
152.07056	63.4
152.08084	2.6
154.02641	2.1
157.04303	2.4
162.98969	2.7
163.02745	7.8
165.00693	2.7
166.04773	2.1
169.03506	4.4
169.04909	15.5
169.06392	2.3
169.07281	3.8
169.08588	8.1
169.09721	10.3
170.02986	2.0
170.08112	12.5
170.09370	3.2
186.99147	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98479	0.8
53.01720	0.7
53.03944	4.2
55.01860	6.9
55.05492	3.2
56.96555	38.4
57.03163	0.8
57.03430	15.1
58.06586	1.0
58.99847	5.4
59.04993	1.4
60.04520	0.7
61.02911	10.4
62.03246	0.8
63.98223	0.8
65.03918	3.3
67.05488	4.2
67.92490	1.1
68.98279	1.4
68.99770	0.9
69.03419	19.4
70.03746	1.2
70.06565	1.2
70.52340	0.8
70.98097	3.0
70.99835	2.4
71.01342	2.7
71.04989	4.0
71.70393	0.9
71.95242	0.8
72.93771	1.1
73.02905	15.3
74.97577	2.4
75.04460	1.6
77.00894	6.5
78.00940	1.0
79.02165	1.2
79.05483	4.4
81.01895	1.8
81.03403	13.8
81.07051	3.8
82.01426	1.0
82.02662	1.3
82.06528	0.9
82.94809	0.8
83.00756	3.3
83.01286	1.1
83.04970	3.7
84.01551	2.8
84.04472	1.3
84.08148	1.1
84.96028	0.9
85.01389	2.2
85.02892	20.1
86.03237	0.9
86.99318	3.0
87.01905	1.5
87.04455	2.7
88.01775	1.2
88.02664	2.9
88.99133	2.5
89.00841	2.5
90.01522	1.6
90.02399	1.1
91.00504	3.0
91.05469	2.8
92.01274	2.9
93.01965	2.4
93.07018	3.6
94.02668	3.2
95.00745	0.9
95.01984	1.5
95.04962	4.9
95.06059	1.1
95.08593	5.1
96.01505	0.9
96.02415	2.0
96.08110	1.4
97.00510	1.2
97.02307	1.9
97.02863	25.2
97.06532	1.4
98.01275	1.8
98.03164	1.2
98.97565	14.5
99.04410	3.9
100.00069	1.6
100.02457	9.9
100.99126	1.2
101.00870	21.6
101.02465	2.6
102.00967	2.3
102.02383	3.7
102.03133	0.8
102.51247	0.7
102.52440	0.7
103.00565	2.5
103.02438	11.4
103.03136	1.2
104.01289	3.5
104.01897	0.8
105.00375	4.4
105.02054	1.8
105.02824	0.9
105.07022	3.6
106.02829	4.6
106.03477	0.6
107.00166	1.9
107.03380	1.6
107.04928	1.5
108.02357	1.6
109.01401	0.7
109.02903	7.6
109.03947	0.9
109.06497	3.5
110.01247	2.5
110.03780	0.7
110.06029	1.2
110.97560	2.1
111.00788	2.1
111.02102	1.6
111.02914	3.5
111.03716	0.7
111.04453	4.7
111.09209	1.8
111.52986	1.1
112.00989	3.2
112.02754	1.3
112.03735	0.9
112.51186	0.8
112.99100	3.7
113.00845	3.2
113.01711	1.9
113.02409	1.7
113.03521	1.5
113.53197	1.0
113.96392	0.8
114.02489	1.7
115.00594	1.9
115.02390	3.8
115.03205	3.2
116.02490	1.3
116.03944	1.0
116.81049	0.8
116.98605	10.1
117.02112	2.7
117.02908	1.8
117.03975	1.2
118.01081	4.0
118.02786	1.4
118.03539	6.7
119.00119	3.1
119.01897	100.0
119.03636	2.1
120.01945	9.6
120.03442	1.9
121.01633	14.4
121.02499	1.2
121.03472	7.7
121.06495	2.5
121.51688	2.0
121.93834	0.8
122.02269	2.0
123.01321	1.0
123.02108	1.5
123.02932	2.0
123.04415	4.7
123.07171	1.1
123.08046	5.1
124.02782	1.2
124.03762	1.7
124.04665	2.8
124.07587	2.3
125.01750	1.6
125.05977	1.4
126.03151	3.3
126.98731	1.1
127.00636	0.9
127.01561	1.5
127.02419	3.1
127.03919	3.3
128.02290	4.7
128.98627	4.3
129.00313	1.8
129.03938	2.0
130.02798	0.8
130.03621	1.1
131.00211	9.7
131.01881	29.4
131.03427	1.1
132.01878	6.4
132.03487	1.1
133.01646	13.8
133.02408	1.3
133.03401	14.9
133.04288	1.4
133.06523	1.3
134.03572	2.0
134.05974	7.0
134.99657	4.5
135.03148	1.7
136.04619	0.9
137.02931	22.7
138.03156	2.9
139.02573	3.7
140.02264	1.1
140.04077	1.2
141.03987	0.8
141.04369	0.9
141.05444	8.8
142.03514	4.5
142.08600	0.8
143.00168	1.1
143.01888	4.8
143.54245	0.9
144.98134	1.3
144.99847	5.6
145.01659	3.4
145.03410	32.6
146.03702	6.8
146.99635	6.9
147.01378	16.8
147.03000	4.7
147.04951	4.9
149.01193	11.9
149.02911	7.9
149.52840	0.9
150.02979	1.9
151.02667	2.9
151.04573	2.1
151.05789	1.7
151.07539	2.9
152.01900	1.5
152.07042	12.8
153.00714	1.2
154.01056	1.9
154.03554	1.1
154.04720	1.4
154.54819	1.0
155.01845	3.9
155.03648	2.3
156.05057	1.0
157.03438	10.7
158.03632	2.2
158.06586	0.9
159.03200	1.8
159.04929	1.3
160.04704	2.1
161.01234	1.7
161.02940	6.9
162.03011	1.9
162.99167	2.5
163.00723	1.0
163.02831	6.2
163.04454	9.4
164.04593	3.6
165.00792	3.8
165.02420	3.7
165.04256	1.4
165.06056	0.9
167.02225	2.8
168.05000	1.4
169.03537	5.7
169.04985	6.2
169.08585	1.0
169.13304	1.8
169.55383	0.9
170.02951	13.9
170.06720	1.2
170.08105	3.1
170.09494	1.3
171.04881	1.0
172.02167	5.1
173.02887	6.4
174.03157	0.9
175.02753	2.5
175.04512	8.2
176.04739	1.4
177.00691	1.7
177.04150	0.9
177.06223	1.0
178.04900	3.5
183.05110	0.9
185.02957	2.6
187.02715	2.4
187.04512	7.4
187.06087	1.4
189.00768	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01865	6.4
55.05491	3.7
56.05016	0.9
56.23103	0.8
56.96556	37.0
57.03426	15.9
58.06577	0.9
58.99852	4.6
59.04984	1.5
59.51310	0.7
59.99939	1.3
60.95845	0.9
60.99590	1.0
61.02917	8.8
61.13506	0.7
62.90605	0.7
65.03934	1.5
67.05483	5.9
68.98275	1.7
68.99788	2.1
69.03417	24.1
70.03737	1.4
70.06568	2.1
70.98099	2.3
70.99855	2.6
71.01333	2.0
71.04983	5.1
71.68948	1.0
71.95250	1.0
72.08129	1.1
73.02902	16.1
74.97602	3.0
75.04494	0.9
77.00900	5.2
79.00661	1.3
79.05483	5.0
81.01910	0.8
81.03404	15.4
81.07034	4.5
82.01431	1.1
82.03704	1.1
82.06536	0.8
82.99822	1.5
83.00776	2.2
83.04962	3.3
84.01556	3.9
84.04480	1.6
84.08154	1.1
84.95986	1.9
85.01389	1.6
85.02888	20.1
86.03245	0.9
86.99306	2.3
87.01879	1.0
87.04443	2.2
87.51917	1.1
88.02665	4.0
88.52711	0.9
88.99137	1.6
89.00794	4.1
90.01566	0.9
90.02393	1.0
91.00511	2.4
91.02417	1.0
91.05451	2.6
92.01282	1.0
92.98648	0.9
93.01939	2.7
93.07021	2.8
94.02651	3.1
95.01968	1.8
95.04958	4.0
95.08600	4.9
96.01521	1.9
96.02419	2.0
96.08147	1.4
97.02301	2.8
97.02859	30.7
97.06458	1.6
98.01282	2.3
98.03181	1.8
98.97571	14.6
99.03835	0.9
99.04412	4.7
100.00137	1.3
100.00999	1.8
100.02463	9.4
100.99160	1.2
101.00855	20.7
101.02512	1.3
102.00919	1.3
102.01597	1.4
102.02365	6.1
102.52483	1.9
103.00594	3.6
103.02419	11.0
103.03136	1.5
103.53221	1.0
104.01286	2.4
104.03098	1.2
105.00360	5.5
105.02045	1.7
105.07003	3.9
106.00417	0.9
106.02834	5.1
106.03568	0.9
107.00146	1.7
107.01722	1.0
107.03386	3.1
107.05006	1.5
107.08514	1.0
108.02381	2.2
109.02831	8.7
109.06501	2.7
110.01273	2.7
110.02055	1.1
110.97564	2.7
111.00774	1.8
111.02147	1.1
111.02926	4.6
111.04429	3.2
111.09205	1.0
112.01007	3.7
112.51143	1.5
112.99114	3.7
113.00874	3.4
113.01720	2.0
113.03472	1.5
114.00954	1.2
114.02441	0.9
115.00606	1.9
115.02404	5.2
115.03204	2.4
116.03943	1.9
116.98599	11.2
117.02146	2.1
117.02943	1.8
117.03929	1.1
118.01073	4.6
118.02763	2.0
118.03548	8.2
119.00114	2.8
119.01894	100.0
120.01973	10.4
120.03370	1.5
121.01640	13.6
121.03484	7.9
121.06481	2.5
122.02219	1.7
123.01289	1.5
123.02080	2.0
123.02968	3.6
123.04436	4.2
123.07251	0.9
123.08049	4.5
124.02768	1.7
124.03733	1.9
124.04612	1.8
124.07571	2.5
125.02640	1.2
125.04468	1.8
125.05992	1.9
126.03162	3.1
127.01518	2.5
127.02399	2.7
127.03920	4.7
128.02332	4.0
128.98618	5.3
129.00336	2.3
129.02980	2.0
129.03955	2.1
131.00224	9.4
131.01874	30.9
131.03432	1.6
132.01883	6.6
132.03487	1.6
133.01611	13.8
133.02377	1.5
133.03410	14.2
133.06430	1.7
134.03609	2.5
134.05989	8.8
134.99651	4.8
135.03183	1.8
135.04994	1.6
136.02319	0.7
136.03589	1.4
137.02928	25.3
138.03120	2.6
139.02612	3.0
140.02304	2.1
141.03035	1.1
141.03963	0.9
141.05473	9.3
142.03482	6.9
143.00093	1.2
143.01909	5.9
144.05072	1.2
144.99831	5.0
145.01657	3.6
145.03404	37.5
145.54321	1.2
145.98480	0.8
146.03624	10.1
146.99635	9.3
147.01366	19.9
147.03046	5.9
147.04964	5.9
147.54059	1.3
148.03767	1.8
148.04990	0.9
149.01186	10.5
149.02898	8.6
150.02979	2.0
151.02695	2.8
151.04466	3.0
151.05821	3.0
151.07552	3.2
152.01920	1.7
152.07037	13.8
152.08182	1.0
154.01131	2.2
154.04774	1.7
155.01929	5.4
155.03613	1.9
156.03465	1.0
156.05042	1.7
157.03413	13.4
157.54147	0.9
158.03566	1.6
158.06511	1.1
158.99692	1.3
159.03174	1.7
159.05060	1.9
160.04672	2.4
161.01265	1.9
161.02945	8.2
162.03104	1.6
162.99179	2.0
163.00888	0.9
163.01537	0.9
163.02747	5.9
163.04485	11.9
164.04575	5.5
165.00699	3.5
165.02428	3.5
165.04221	2.4
165.05994	2.2
167.02199	3.9
168.05086	1.9
169.03413	4.3
169.05023	8.4
169.06613	1.0
169.07175	0.9
169.08554	1.8
169.09802	1.8
169.13341	2.2
170.02943	12.4
170.05190	1.5
170.06728	1.6
170.08104	3.4
172.02139	5.4
172.04445	1.1
172.95229	0.9
173.01505	0.8
173.02953	7.5
174.03127	1.0
175.02756	3.0
175.04518	8.7
176.04622	1.3
177.00639	2.2
178.04820	4.4
179.03864	1.1
180.04971	1.0
181.00278	0.9
185.02994	4.5
185.04539	1.0
186.06096	0.9
187.02710	2.3
187.04506	8.8
187.06172	1.2
188.04408	1.2
189.00671	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03157	0.4
57.03431	6.3
69.39169	2.1
75.04478	0.2
81.03423	0.3
81.07033	0.3
92.11864	0.1
95.08590	0.2
98.98392	0.3
109.02859	0.3
111.00819	0.4
113.00001	100.0
114.00330	0.4
123.04441	0.3
123.11636	0.2
124.07636	0.2
126.03111	0.5
131.01033	1.0
133.10112	0.3
139.01546	0.6
141.05455	1.2
151.03914	0.2
154.02631	0.8
154.07787	0.2
155.00987	0.3
168.97928	0.2
169.01149	0.4
169.02594	8.8
169.04961	0.6
169.10085	0.7
176.35974	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0493
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
50.29424	0.2
52.89457	0.3
53.03920	0.3
55.01867	0.6
55.05500	0.6
56.22778	0.3
57.03418	0.3
57.62707	0.3
68.05004	0.3
68.99772	3.7
80.02624	0.4
81.03410	0.9
81.07032	0.4
81.14680	0.3
85.02867	0.5
93.58311	0.3
95.04924	0.5
95.08581	0.3
97.02897	1.0
98.03664	3.1
99.04383	0.4
107.08567	0.5
109.02877	1.5
111.00784	26.8
111.09210	0.7
112.01125	0.9
123.08096	0.5
123.11723	0.3
125.02365	0.5
125.64023	0.3
126.03111	32.7
127.03461	0.6
141.05438	100.0
142.05785	3.1
154.90237	0.3
155.03409	0.4
166.20218	0.3
169.04936	43.7
170.05312	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0494
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
53.03936	0.5
55.01864	0.7
65.03942	0.3
66.52907	0.2
68.99414	0.3
68.99774	2.8
71.69144	0.3
75.55968	0.2
80.02633	0.3
81.03397	0.5
85.02874	0.4
85.06529	0.4
95.04927	0.2
97.02874	0.9
98.03664	3.0
99.04498	0.3
109.02876	1.4
111.00786	26.2
112.01109	0.5
113.05972	0.6
125.02354	0.4
126.03113	31.0
127.03458	0.8
141.05443	100.0
142.05779	2.4
149.36778	0.2
155.57982	0.2
169.04938	36.4
170.05305	1.0
183.90718	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1065
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02370	0.9
53.03939	4.6
55.01863	3.2
55.05503	14.6
56.91638	0.7
57.03419	1.9
57.07060	2.3
59.04990	4.1
62.83033	0.6
65.03931	2.3
67.05492	10.8
69.03419	3.5
69.07057	39.7
71.01324	0.6
71.04972	1.4
71.70195	1.2
72.70234	0.6
75.55601	0.6
77.03904	1.0
78.04696	11.1
79.05479	27.5
80.04968	0.7
81.03406	2.5
81.07043	19.4
82.06551	0.7
83.04974	7.4
83.08616	4.2
84.96030	1.0
85.02929	0.9
85.06518	1.4
91.05463	25.6
92.05756	0.7
93.03378	0.8
93.07028	96.0
94.07370	1.2
95.04951	13.3
95.08588	14.3
97.02876	1.3
97.06517	11.0
97.10142	2.1
98.06020	1.0
99.04428	0.7
103.05461	2.9
105.03397	1.0
105.04506	1.8
105.07008	22.6
105.92413	0.6
106.04173	3.8
106.07788	1.7
107.04933	7.5
107.08580	10.8
109.02863	4.1
109.06509	4.6
109.07623	1.4
109.10090	1.6
110.07150	0.7
111.04422	5.0
111.08073	7.7
111.11702	5.7
119.04944	1.2
119.08558	4.1
121.01677	1.1
121.02837	2.7
121.06487	17.5
121.10123	100.0
122.03605	1.1
122.06036	1.3
122.06967	1.1
122.10457	3.7
123.04412	20.2
123.08054	8.3
123.11680	2.7
124.05212	6.9
125.05979	3.6
125.08209	0.9
125.09584	3.3
126.05518	1.1
131.08548	2.2
133.07571	2.2
134.03587	0.9
135.04404	2.6
137.05952	1.4
138.06621	0.8
139.02731	0.9
139.03877	1.3
139.07588	3.0
139.08498	0.7
139.11177	4.4
144.03256	1.1
149.02324	3.1
149.04871	0.8
149.05957	13.0
149.07047	1.2
149.09590	13.3
149.13229	1.9
150.10120	1.0
151.03856	4.5
152.04666	6.5
152.06168	1.3
166.22293	0.7
167.03394	3.7
167.07024	76.1
167.08487	4.7
167.10635	33.9
167.14206	4.2
167.15349	0.6
168.06329	1.1
168.07539	1.9
168.11165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1065
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
50.01608	0.3
53.03931	2.1
55.01857	1.3
55.05502	3.7
55.84728	0.3
57.03421	1.5
57.07055	0.6
65.03931	0.6
67.05486	2.9
69.03425	1.7
69.07054	2.8
69.99525	1.6
71.04961	0.4
75.04469	3.4
77.03904	0.4
78.04697	1.0
78.83059	0.3
79.05016	0.6
79.05479	11.6
81.03418	0.7
81.07041	8.5
81.07530	0.3
83.04965	2.6
83.08609	1.0
86.15742	0.3
91.05463	13.3
92.05802	0.4
93.07028	70.7
94.07344	1.3
94.07843	0.3
95.04954	5.3
95.08587	3.1
97.06503	1.1
97.10156	0.7
103.05463	2.4
105.04505	1.2
105.07011	24.0
106.07795	1.2
107.04950	1.2
107.08575	11.0
109.02844	0.3
109.06496	1.2
109.07615	0.7
109.10161	0.4
111.04419	1.5
111.08061	42.2
112.08399	1.0
119.04904	0.5
119.08557	5.2
120.05723	0.6
121.06503	3.4
121.10122	100.0
122.07061	0.3
122.10441	2.6
123.04425	1.5
123.08053	7.1
123.11661	0.8
125.05969	1.1
125.08197	0.3
125.09608	1.4
131.08534	1.8
133.07596	1.9
139.07520	0.6
139.11174	1.1
149.05948	2.9
149.08473	0.4
149.09592	4.7
150.10207	0.4
151.07516	0.9
152.04633	0.3
167.03447	0.2
167.07013	5.3
167.10654	7.0
167.14244	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1064
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03938	3.1
53.62493	0.4
55.01856	1.1
55.05501	2.8
57.03424	2.4
57.07061	0.6
59.04984	1.1
60.53272	0.4
67.05493	3.1
69.03410	1.1
69.07053	1.8
70.13850	2.1
75.04465	3.9
77.03895	1.0
78.04697	3.5
79.05016	0.8
79.05477	14.8
81.03399	1.0
81.07039	16.9
83.04972	1.5
83.08588	0.5
85.06544	0.4
87.04455	1.3
87.52483	0.4
91.05461	14.8
93.07024	100.0
94.07340	1.9
95.04948	5.8
95.08585	5.9
97.02867	0.7
97.06503	3.4
103.05433	1.4
105.04465	1.3
105.07005	13.2
105.07720	0.7
106.04151	1.1
106.07813	0.9
107.04935	1.6
107.08562	5.7
109.02869	1.2
109.06516	1.5
109.07619	0.5
111.04433	0.7
111.08060	30.7
112.08381	0.7
119.08558	2.5
120.28390	0.3
121.06517	2.5
121.10117	93.3
122.10438	2.6
123.04414	5.1
123.08037	4.4
123.11686	3.4
124.05186	2.1
125.05996	3.2
125.09593	1.0
131.08549	1.7
133.07561	1.1
134.03490	0.5
137.05959	0.3
137.80103	0.4
139.11148	7.4
149.05963	1.8
149.09584	9.2
149.13228	0.4
151.03842	0.9
152.04646	1.2
167.07008	19.6
167.10640	12.1
168.07388	0.7
168.11017	0.5
171.39435	0.4
172.88367	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1065
Annotation	(+)-Teucriumlactone
Peak:m/z	Relative Intensity
53.03941	3.7
54.20237	0.7
55.01854	2.2
55.05503	47.3
57.03415	1.5
57.07058	2.3
59.04991	7.4
65.03918	2.3
67.05495	8.7
68.05032	0.8
69.03421	11.4
69.07059	14.0
69.99452	3.6
71.04958	1.4
76.31606	0.7
78.04697	1.0
79.05484	22.0
81.03403	1.7
81.06601	1.1
81.07044	13.2
83.04969	29.9
83.06074	0.8
83.08614	9.6
84.05279	0.9
85.06521	3.6
91.04922	1.4
91.05471	20.9
93.07033	28.5
94.07400	1.0
95.04934	7.0
95.08588	7.2
97.06528	8.8
97.10156	20.4
103.05447	2.1
105.07016	14.3
107.04942	5.9
107.08580	60.9
108.08911	1.5
109.02850	9.0
109.06502	18.5
109.07256	1.1
109.07581	1.5
109.10154	5.1
110.08372	0.9
111.04412	2.6
111.08069	10.1
111.09185	0.8
112.08843	2.7
116.06207	1.2
116.14548	0.7
119.06050	1.3
119.08571	2.3
121.06492	33.5
121.10130	51.3
122.07057	1.3
122.10419	1.6
123.04449	3.8
123.08075	4.7
123.11703	3.9
124.05209	1.3
125.05988	6.4
125.09613	100.0
126.09932	2.4
131.08549	3.4
133.07594	1.1
137.05934	1.1
137.09549	1.1
138.06648	0.9
139.07547	1.5
139.11130	5.8
149.02299	0.9
149.05966	9.3
149.09596	38.8
149.13214	2.2
150.10095	2.9
152.04660	1.4
167.03374	1.0
167.07024	19.7
167.10657	76.1
167.14320	9.0
168.11008	3.1
172.51877	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1065
Annotation	(-)-Isochaminic acid
Peak:m/z	Relative Intensity
53.03917	1.6
55.01868	1.2
55.05502	30.5
57.03391	1.3
57.07050	1.3
59.04978	4.9
67.05507	5.6
69.03400	3.3
69.07055	14.9
70.98648	2.9
71.04944	1.3
79.05476	19.9
81.07037	8.7
83.04972	3.1
91.05467	18.5
93.07023	23.9
95.04951	3.3
95.08615	7.5
97.06506	4.6
97.09574	2.0
97.10156	24.4
103.05418	1.2
105.04465	1.0
105.07011	16.7
106.07798	1.2
107.04935	4.1
107.08577	55.5
108.08933	1.1
109.06496	19.0
109.10123	3.9
111.04408	2.4
111.08045	2.4
116.06188	1.4
119.06025	1.5
119.08543	3.0
121.06487	29.4
121.10123	63.7
122.10470	1.2
123.04436	1.7
123.08040	4.1
125.09609	100.0
126.09931	2.2
131.08548	2.8
139.11159	5.3
149.05922	2.3
149.09593	41.5
167.07001	7.4
167.10655	80.1
168.10945	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1065
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
50.54376	0.8
51.18715	0.9
53.03939	5.8
54.77937	0.9
55.01855	4.4
55.05506	33.3
57.03421	2.0
57.07077	2.1
59.04980	2.8
65.03922	3.3
66.04700	1.0
67.05495	10.5
68.99767	0.9
69.03425	4.5
69.07061	14.2
71.04971	2.6
71.59562	1.3
75.67956	0.9
77.03934	1.9
78.04704	11.8
79.05479	32.3
81.03400	3.2
81.07046	15.9
83.04958	7.0
83.08596	3.5
85.06519	1.5
91.05467	36.9
92.05762	1.3
93.07031	43.4
94.04179	1.5
94.07368	1.5
95.04393	1.6
95.04951	14.2
95.08594	11.8
97.02915	1.4
97.06523	10.1
97.10150	18.7
103.05463	2.7
105.04505	1.3
105.07011	14.5
106.04150	3.9
107.04963	12.3
107.08579	63.7
108.08954	1.5
109.02863	3.6
109.06504	20.2
109.07657	1.9
109.10124	4.5
111.04427	4.4
111.08042	7.5
119.04948	2.1
119.06099	1.2
119.08546	2.3
121.01622	1.4
121.02859	2.2
121.06488	47.4
121.10130	55.0
122.03677	1.6
122.06952	1.1
123.04416	22.6
123.08040	5.6
123.11649	4.4
124.05233	6.0
125.05979	5.7
125.09615	100.0
126.05479	1.1
126.09949	2.1
131.08566	4.3
135.04378	3.5
137.05919	2.3
138.05522	1.0
139.03885	1.4
139.07526	4.8
139.11165	4.6
149.02357	2.0
149.04929	2.0
149.05977	20.5
149.09593	37.1
149.13232	4.4
150.06439	0.9
150.10204	1.8
151.03879	4.8
152.04680	19.1
152.06075	1.6
156.67691	0.9
167.03439	5.0
167.07024	96.9
167.08324	4.4
167.10654	77.7
167.14333	3.1
168.07442	1.7
168.10155	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0701
Annotation	4-Hydroxyhydratropate
Peak:m/z	Relative Intensity
53.03944	7.3
55.01853	4.1
67.05485	3.1
69.07059	0.9
71.01328	1.8
71.14622	1.6
77.03909	2.2
79.05489	40.5
80.16458	0.9
81.03416	5.0
81.07057	1.5
83.04971	5.1
85.02883	4.0
89.55820	1.0
91.05474	19.2
93.07037	23.9
94.90541	1.0
95.04392	1.8
95.04961	21.5
97.06520	17.0
103.05450	7.1
105.04504	1.6
106.04173	1.9
107.04957	15.1
108.05286	1.2
109.02847	1.1
111.08064	2.7
111.09175	0.9
121.06493	100.0
122.06866	2.7
123.04440	2.8
125.05983	9.9
126.13052	0.8
131.04936	1.8
134.03552	1.7
139.07518	3.9
149.05968	87.8
150.06316	3.4
167.07031	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	167.0701
Annotation	4-Hydroxyhydratropate
Peak:m/z	Relative Intensity
51.02357	1.1
53.03937	8.8
54.13043	0.9
54.28528	0.9
55.01867	5.8
55.05492	2.6
58.86646	0.8
67.05482	3.5
69.03429	1.5
69.07061	2.3
71.01337	2.0
71.15416	1.9
77.03909	1.7
78.04704	7.1
79.05482	38.4
81.03400	7.7
81.07030	2.6
83.04953	6.6
83.06092	1.0
83.08576	1.1
85.02879	3.6
91.05468	23.9
93.07034	26.4
95.04955	23.3
97.06519	17.6
103.05450	5.9
105.04485	3.4
105.07054	1.4
106.04176	5.4
107.04939	14.4
107.08593	1.7
109.02824	2.0
109.06472	1.4
109.07611	1.9
111.04404	1.6
111.08067	5.1
111.09200	1.4
121.01646	1.2
121.06489	100.0
122.06879	3.1
123.04415	16.0
123.08026	1.0
124.05190	3.8
125.05986	10.9
131.04955	1.6
134.03607	2.9
135.04355	1.3
139.03882	1.4
139.07521	3.7
149.05960	91.1
150.06313	3.5
150.10231	2.1
151.03923	2.9
152.04630	1.7
167.03239	1.4
167.07021	60.1
167.12909	1.6
168.07384	2.0
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	4-Hydroxyhydratropate
Peak:m/z	Relative Intensity
53.03939	8.1
53.52064	1.0
55.01870	5.9
55.05487	2.2
59.70320	1.0
61.02885	1.0
63.58664	1.3
65.03913	1.9
67.05495	3.6
69.03398	2.7
69.07050	1.7
70.06558	1.3
71.01336	2.1
71.15410	2.3
77.03903	1.7
78.04688	2.0
79.05483	37.3
81.03407	6.6
81.07034	1.7
82.06567	1.1
83.04969	5.2
85.02876	3.4
91.05470	22.7
93.07033	29.2
95.04955	23.3
95.08620	1.1
97.06516	15.2
99.16819	1.2
103.05457	7.8
105.04517	1.9
105.07018	1.1
106.04158	2.3
107.04936	13.2
107.08596	1.4
109.02853	1.6
109.06492	2.8
109.07610	1.6
111.08047	4.6
111.09153	1.3
121.06490	100.0
122.06805	3.6
123.04433	7.0
124.05197	1.3
125.05977	9.8
131.04895	1.0
134.03622	3.2
139.07521	3.5
149.05963	86.9
150.06305	2.3
150.10237	2.5
150.27754	0.9
167.07024	24.3
168.36450	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.07
Annotation	4-Hydroxyhydratropate
Peak:m/z	Relative Intensity
51.02376	0.5
53.03937	3.1
55.01864	1.8
55.05504	0.4
65.03934	0.4
67.05505	0.8
68.99760	0.3
69.03442	0.3
69.77594	2.0
73.02888	0.3
74.74134	0.3
76.50854	0.3
77.03909	0.7
78.04697	0.3
79.05476	3.1
81.03410	2.0
81.07034	0.4
91.05465	12.4
93.07032	7.7
94.04169	2.2
94.07388	0.5
95.04957	7.3
95.08609	0.5
97.06523	1.9
103.05457	4.8
104.05795	0.7
105.04506	0.9
105.07037	0.3
106.04168	2.2
107.04946	1.7
109.02815	0.3
109.06524	0.3
111.08054	0.7
120.08092	1.0
121.06487	93.5
122.06804	2.7
123.04396	0.6
123.08073	0.4
125.05958	1.4
131.04933	1.0
134.03621	3.4
139.07512	0.8
141.06555	0.3
144.90907	0.3
149.05954	100.0
150.06313	3.6
167.07011	17.3
168.07355	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0701
Annotation	4-Hydroxyhydratropate
Peak:m/z	Relative Intensity
51.02379	0.7
53.03937	5.4
55.01873	3.9
55.05506	4.2
56.96556	7.4
57.03423	1.3
65.03936	1.3
67.05505	4.1
67.92485	0.8
68.05023	1.1
69.03426	3.5
69.07046	1.6
70.06595	0.9
71.01361	0.8
71.27316	1.2
73.02908	1.4
77.03909	1.2
78.04709	4.9
79.05025	0.8
79.05483	13.2
81.03400	5.4
81.07043	2.6
82.06587	1.0
82.94839	0.8
83.04965	2.4
83.06101	0.9
84.08159	0.6
85.02898	2.4
91.05468	22.6
92.05817	0.7
93.03368	0.6
93.07031	23.7
94.04178	2.0
94.06554	1.1
94.07353	0.9
95.04954	14.2
95.06005	0.8
95.08587	3.2
97.02854	2.8
97.06528	5.2
98.97547	3.1
103.00549	0.8
103.05470	6.5
104.01243	0.9
104.05762	2.7
105.04501	2.3
105.07018	1.5
106.04165	3.8
107.04950	8.1
107.08588	1.3
108.05234	0.8
109.02865	1.5
109.06495	2.4
109.07635	1.4
110.01243	0.8
110.06123	0.6
110.07205	0.6
110.08447	0.7
111.04426	1.7
111.08078	3.3
111.09184	1.4
116.98611	2.0
119.01804	1.9
120.08115	3.3
120.15278	0.7
121.01646	4.7
121.02924	1.4
121.06492	98.8
121.08395	23.3
121.10141	1.9
122.03632	0.9
122.06788	3.3
123.04422	10.2
123.08040	2.9
123.09100	0.8
123.97364	0.7
124.05230	2.8
125.05991	3.3
126.05572	0.6
127.03891	1.0
131.04887	1.5
134.03590	3.5
134.99652	1.0
135.04425	1.6
137.05962	1.5
139.02702	1.1
139.03934	0.6
139.07509	3.5
144.03227	3.0
146.99580	0.7
147.03258	1.9
149.02354	1.7
149.05959	100.0
150.05280	0.7
150.06380	2.9
150.10236	1.7
151.03896	1.2
152.04701	1.9
155.04639	1.9
158.99600	1.0
162.95811	1.2
164.05150	1.4
165.04352	1.4
167.03372	2.2
167.07016	50.9
167.10634	1.3
167.12930	1.0
168.06400	0.9
177.00717	0.9
184.47588	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0861
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.03930	0.3
69.03447	0.1
70.82227	0.4
70.82600	0.2
77.03890	0.1
79.05474	1.7
81.07058	0.1
91.05466	1.4
93.07029	3.0
95.04952	0.7
97.06504	0.2
103.05451	10.5
104.05784	0.3
105.06986	0.2
106.06551	0.1
106.88476	0.1
107.04935	2.3
118.06528	0.3
119.01860	0.2
120.08086	100.0
121.05598	0.3
121.06490	4.9
121.08415	2.8
123.04434	0.2
131.04900	2.3
134.03569	0.2
149.05960	5.8
166.08600	1.5
167.07024	1.1
170.72423	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	166.0861
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
50.91682	0.1
52.29804	0.2
53.03922	0.3
55.05503	0.4
65.03913	0.2
66.07790	0.1
67.05481	0.4
69.03417	0.4
69.07046	0.2
71.15547	0.2
72.04379	0.1
77.03896	0.2
78.04692	0.5
79.05473	2.2
80.04991	0.4
81.07031	0.5
82.07373	0.2
83.04973	0.1
83.99461	0.1
90.67184	0.1
91.05463	2.1
92.05782	1.6
93.07025	3.9
94.06493	0.2
94.07368	0.2
95.04977	0.8
95.08569	0.4
96.05250	0.2
97.06554	0.2
97.10116	0.1
103.05446	11.1
104.05788	0.2
105.06978	0.3
106.06503	0.1
107.04931	2.4
107.08549	0.7
109.06499	0.2
109.10137	0.1
110.06763	0.2
111.04469	0.2
111.08086	0.4
115.63761	0.1
118.06520	0.2
119.04914	0.4
120.05270	3.0
120.08080	100.0
121.06486	1.0
121.07613	0.2
121.08430	2.4
121.10119	1.3
122.07188	0.2
123.04402	1.2
124.07539	0.2
124.08472	0.2
125.02266	0.2
125.05946	0.4
125.09624	0.5
131.04897	2.2
136.07549	0.6
138.05453	0.4
138.06374	0.2
138.09128	0.4
139.07523	0.2
142.96684	0.3
148.04726	6.7
148.07451	0.3
149.02420	0.2
149.04926	0.2
149.05945	1.6
149.09583	0.6
151.03790	0.2
152.04675	0.3
152.06018	0.2
166.04820	0.4
166.06007	0.3
166.08571	4.0
166.13145	0.2
167.07004	4.4
167.09238	0.2
167.10666	0.6
167.67943	0.1
170.75996	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	165.1272
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
51.49599	0.7
53.03932	4.2
55.05495	4.4
55.97073	0.6
57.03425	0.8
57.04415	0.6
57.07065	3.1
59.04976	1.9
65.03926	1.1
67.05186	1.0
67.05496	11.8
69.03419	23.7
69.07055	8.2
70.99698	1.9
71.04974	1.1
71.95359	0.6
72.94315	0.6
79.05481	6.2
81.02941	1.1
81.03403	20.6
81.06541	0.9
81.07043	19.6
82.03722	0.8
83.04546	0.6
83.04956	3.5
83.08604	1.7
85.06512	1.3
87.68020	0.7
89.03938	0.8
91.05463	10.9
91.55282	0.7
93.07024	4.8
95.04955	11.9
95.08592	17.5
96.05293	0.7
96.08935	1.3
97.06487	0.9
100.69936	0.7
103.05424	0.6
105.07005	10.0
107.08566	6.4
108.05701	0.8
109.06504	15.7
109.10150	3.5
110.07291	2.1
117.07024	0.9
119.01871	0.9
119.04924	10.1
119.08561	13.1
121.06470	1.1
121.10121	7.3
122.07254	1.5
123.04397	2.8
123.08043	19.4
123.11684	10.7
132.09473	0.8
135.08078	0.7
137.05949	1.5
137.09584	5.9
137.13258	3.2
140.04602	0.7
142.03564	0.7
147.04384	15.5
147.11684	5.7
148.04724	0.6
150.10414	1.0
163.30345	0.8
165.04337	0.9
165.05524	5.6
165.09096	2.1
165.12732	100.0
166.08662	0.7
166.13065	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
52.71060	0.8
53.03928	2.5
55.01857	3.1
55.05493	3.4
56.05023	0.9
57.03426	1.3
58.06588	1.7
65.03922	3.2
66.57362	0.7
67.05128	1.4
67.05496	21.0
68.05009	2.4
68.39053	0.7
68.99785	0.9
69.03427	5.1
69.07049	1.0
70.06568	3.1
70.54490	2.4
70.54909	1.3
77.32527	0.7
79.05485	11.3
80.04997	1.7
81.03383	1.4
81.04565	1.1
81.07046	15.1
82.06564	1.5
83.01327	1.9
83.04958	2.6
83.06087	4.3
83.08587	1.2
85.07663	1.6
91.05467	57.2
92.05804	1.8
93.07037	8.0
95.04960	9.6
95.06054	2.1
95.08591	11.6
97.07628	2.3
98.07143	1.5
101.00862	1.6
103.05449	4.0
104.06226	2.7
105.03374	1.1
105.07017	7.6
107.04949	5.1
107.06071	2.2
107.08606	5.4
109.06500	9.3
109.07628	3.0
109.10143	26.9
110.07200	0.8
111.09167	0.9
115.05434	1.8
117.07008	9.6
117.18988	0.7
119.01904	12.2
119.04926	39.4
119.08562	30.4
120.02057	0.9
120.05273	1.2
120.08060	2.8
120.08842	1.1
121.06470	2.4
121.07606	1.8
121.10105	1.9
121.97488	1.0
122.07260	9.8
123.04411	4.1
123.08058	11.3
123.11697	1.6
124.08680	3.4
125.09465	1.7
128.06190	3.1
129.06985	2.7
131.04895	2.1
132.05690	11.9
133.02837	1.5
133.06403	1.4
135.08018	1.6
137.02968	7.2
137.05966	20.8
137.09596	29.7
138.05479	1.6
138.06538	1.1
138.09117	1.1
138.10060	1.7
142.03473	8.5
142.96709	0.8
147.04393	48.1
147.08029	38.5
147.11673	1.8
148.04761	2.1
148.08643	3.9
150.06764	4.9
160.04536	3.1
165.05501	12.4
165.09096	100.0
165.11359	5.9
165.12749	3.5
166.04773	0.9
166.08549	3.5
166.09570	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	165.0908
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03931	2.8
55.01858	3.7
55.05505	6.6
56.05017	1.4
56.18327	0.6
56.36193	0.7
56.96534	0.8
57.03409	1.1
58.06583	1.1
59.04983	1.0
60.86216	0.8
65.03928	3.9
67.05492	34.9
68.05008	2.0
69.03419	16.1
69.04531	0.7
69.07043	2.6
69.51083	6.8
70.06576	2.7
71.04964	2.0
73.02883	1.0
79.05479	11.7
80.05000	2.2
81.03410	3.6
81.04530	1.6
81.07043	22.2
82.06548	1.0
83.04954	2.6
83.06083	3.0
83.08576	0.7
85.02892	0.9
85.06520	1.3
85.07658	1.2
88.46654	0.6
91.05465	48.2
92.05783	1.8
93.07032	14.5
95.04955	13.3
95.06039	1.7
95.08590	48.4
96.08901	1.0
97.02845	0.8
97.06502	1.3
97.07626	1.7
98.07175	0.9
101.00861	2.2
103.05448	2.3
105.03391	1.0
105.07009	12.4
107.04955	3.6
107.06076	2.7
107.08562	9.6
109.02856	1.9
109.06507	14.1
109.07621	1.8
109.10134	23.9
111.04407	0.8
111.09184	1.2
117.06982	2.9
119.01904	12.8
119.04926	56.3
119.08560	30.8
119.09279	0.5
120.05267	1.7
120.08068	3.7
120.08878	1.6
121.06479	3.2
121.07567	1.7
121.10128	4.3
122.07213	4.2
123.04457	5.6
123.08046	41.5
123.11668	2.5
124.08751	4.2
125.09454	1.5
129.06990	1.4
133.02811	3.4
133.06470	1.2
135.04399	0.9
136.07555	1.6
136.08710	1.2
137.02997	4.0
137.05937	10.8
137.09592	30.4
137.13251	2.1
138.05435	1.7
138.06419	1.2
138.10124	2.1
142.03485	6.3
142.96698	1.4
147.04382	100.0
147.08025	14.0
147.11658	5.0
148.04779	4.9
148.07542	1.3
148.08643	3.8
160.04535	2.1
165.01717	1.3
165.05487	13.6
165.09088	84.7
165.11124	5.0
165.12660	10.4
166.04993	2.0
166.08574	4.2
166.09659	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.4
51.90008	0.3
53.03932	1.1
53.85053	0.3
55.01855	1.2
55.05488	1.1
62.24606	0.3
63.02338	0.5
65.03939	2.2
67.05499	5.0
69.03410	1.3
69.07040	0.9
70.37863	1.2
73.02023	0.3
75.86353	0.3
77.03905	0.6
79.05486	3.8
80.05025	0.4
80.05798	0.6
81.03398	1.2
81.04485	0.3
81.07046	6.9
83.04956	0.9
83.06126	0.3
83.08604	0.4
86.69761	0.2
89.03903	6.8
90.04242	2.7
91.04634	3.1
91.05466	34.3
92.05803	1.0
93.07034	2.8
95.04392	0.5
95.04958	6.8
95.08598	3.8
97.06527	0.4
101.00884	0.4
103.05419	0.7
105.03366	0.8
105.07020	3.8
107.04955	1.6
107.08577	2.4
108.05231	0.3
109.02837	0.7
109.05473	0.5
109.05662	0.5
109.06493	3.9
109.10147	4.3
117.03351	2.9
117.07002	0.4
118.03687	1.4
119.01951	2.9
119.04037	3.6
119.04920	53.5
119.08562	5.2
120.05296	1.3
120.08072	1.5
121.06447	0.7
121.10157	1.8
122.03590	0.5
122.07216	0.7
123.04414	13.1
123.08063	2.3
123.11696	1.1
133.02850	1.7
133.44691	0.3
135.04398	4.1
136.04739	1.4
136.07629	0.5
137.02919	1.1
137.04939	8.3
137.05977	5.9
137.09596	3.7
138.05284	0.4
142.03502	1.5
142.96680	0.3
145.02815	1.1
146.29880	0.3
147.03430	4.8
147.04388	100.0
147.08051	1.6
147.11671	3.0
148.04723	2.8
148.08708	0.4
149.02223	0.3
160.04483	0.8
165.01857	1.1
165.04341	7.2
165.05467	27.1
165.07655	0.9
165.09064	6.5
165.11337	0.7
165.12712	5.7
166.04834	0.7
166.08554	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.054
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.01588	0.3
51.02364	0.3
51.70643	0.2
53.03934	0.6
55.01846	0.2
55.05494	0.3
56.99554	0.2
57.03423	0.3
62.23886	0.2
64.09338	0.2
65.03929	1.8
67.05502	1.3
67.92233	0.2
69.03410	0.8
70.87054	0.4
71.04984	0.2
79.05487	1.1
80.05022	0.3
81.03413	0.5
81.07040	1.9
83.93015	0.3
84.79055	0.2
86.50364	0.2
91.05462	27.4
91.13735	0.2
92.05797	0.5
93.07032	1.7
95.04950	5.1
95.08575	1.2
101.00865	0.8
101.02588	0.2
103.05457	0.6
105.06996	1.0
107.04976	0.4
107.08573	0.8
108.04480	0.2
109.02837	0.3
109.06491	1.7
109.10110	1.0
119.01904	8.2
119.04917	53.2
119.08529	2.0
120.01998	0.2
120.05201	1.4
120.08085	0.4
121.06483	0.3
121.10131	0.7
123.04408	3.0
123.08041	0.7
123.11661	0.2
124.02382	0.3
125.02444	0.2
133.02821	0.3
135.04369	0.2
136.07556	0.3
137.02945	4.8
137.05946	2.0
137.09581	0.9
138.03061	0.3
138.05466	0.4
138.09073	0.2
142.03476	6.3
142.96663	0.8
143.03575	0.3
147.04378	100.0
147.11656	0.7
148.04726	3.1
148.07568	0.2
160.04517	2.5
165.01820	0.7
165.05478	5.2
165.06990	0.5
165.08992	1.4
165.12737	2.4
165.98302	0.3
166.04976	0.4
166.08559	1.6
174.07243	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02368	0.4
51.90008	0.3
53.03932	1.1
53.85053	0.3
55.01855	1.2
55.05488	1.1
62.24606	0.3
63.02338	0.5
65.03939	2.2
67.05499	5.0
69.03410	1.3
69.07040	0.9
70.37863	1.2
73.02023	0.3
75.86353	0.3
77.03905	0.6
79.05486	3.8
80.05025	0.4
80.05798	0.6
81.03398	1.2
81.04485	0.3
81.07046	6.9
83.04956	0.9
83.06126	0.3
83.08604	0.4
86.69761	0.2
89.03903	6.8
90.04242	2.7
91.04634	3.1
91.05466	34.3
92.05803	1.0
93.07034	2.8
95.04392	0.5
95.04958	6.8
95.08598	3.8
97.06527	0.4
101.00884	0.4
103.05419	0.7
105.03366	0.8
105.07020	3.8
107.04955	1.6
107.08577	2.4
108.05231	0.3
109.02837	0.7
109.05473	0.5
109.05662	0.5
109.06493	3.9
109.10147	4.3
117.03351	2.9
117.07002	0.4
118.03687	1.4
119.01951	2.9
119.04037	3.6
119.04920	53.5
119.08562	5.2
120.05296	1.3
120.08072	1.5
121.06447	0.7
121.10157	1.8
122.03590	0.5
122.07216	0.7
123.04414	13.1
123.08063	2.3
123.11696	1.1
133.02850	1.7
133.44691	0.3
135.04398	4.1
136.04739	1.4
136.07629	0.5
137.02919	1.1
137.04939	8.3
137.05977	5.9
137.09596	3.7
138.05284	0.4
142.03502	1.5
142.96680	0.3
145.02815	1.1
146.29880	0.3
147.03430	4.8
147.04388	100.0
147.08051	1.6
147.11671	3.0
148.04723	2.8
148.08708	0.4
149.02223	0.3
160.04483	0.8
165.01857	1.1
165.04341	7.2
165.05467	27.1
165.07655	0.9
165.09064	6.5
165.11337	0.7
165.12712	5.7
166.04834	0.7
166.08554	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1478
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03942	4.2
55.01842	1.0
55.05505	9.7
57.07049	3.3
63.02369	1.2
65.03938	2.1
65.91430	0.8
67.05507	5.7
69.07058	27.4
69.76366	5.8
74.09647	0.9
77.03915	1.3
78.11863	0.8
79.05482	27.3
81.06583	1.4
81.07039	11.8
83.08607	10.3
89.03903	61.4
90.04233	2.1
91.05466	17.4
92.05759	0.9
93.07028	31.2
95.04962	9.3
95.08595	11.9
98.21428	1.6
103.05453	11.5
105.03346	1.0
105.04521	1.3
105.07014	19.1
107.04945	17.5
107.08576	100.0
108.08836	2.1
108.09480	1.0
109.06488	3.4
109.10168	2.3
115.05399	1.4
117.03357	48.0
117.06988	2.6
117.87752	0.9
118.03728	1.3
119.04911	1.6
119.08556	9.8
121.06482	2.5
121.10124	88.0
122.10428	2.2
123.08023	3.5
126.05417	0.9
131.04910	12.3
133.02849	1.5
133.07553	1.6
133.10147	1.8
134.10907	0.9
135.04395	88.5
135.08005	1.6
135.11671	46.0
136.04752	5.6
136.07558	32.4
136.11977	1.4
137.09586	1.2
140.07039	1.3
145.02831	31.5
145.03860	1.5
145.10104	2.5
146.03154	1.7
161.02161	0.8
163.03883	90.7
163.07489	6.8
163.09854	1.7
163.11121	8.4
163.14790	30.9
164.04190	4.4
164.07008	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	165.0545
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
50.35657	0.4
53.03934	3.2
55.01871	2.8
56.05018	0.4
61.73594	0.5
63.71439	0.4
64.06409	0.5
65.03945	2.6
65.92603	0.6
67.05506	2.5
68.05028	0.8
69.03414	1.6
70.87999	1.0
73.14413	0.4
77.03979	0.6
79.05485	7.6
80.04995	0.4
80.94949	0.8
81.03404	100.0
81.07043	9.1
81.07486	0.8
82.03748	1.7
83.01328	2.9
83.05053	0.5
83.06080	1.2
85.07650	0.5
89.49775	0.4
91.05464	17.9
92.05793	0.6
93.07030	1.5
94.04176	1.5
95.04956	9.1
95.06017	0.5
95.08576	0.7
96.91917	0.4
98.07159	0.4
101.00846	2.2
103.05492	0.7
105.03375	0.9
105.04454	0.5
105.07024	1.8
107.04939	1.7
107.08580	0.8
109.02861	1.1
109.06506	12.8
109.07629	0.6
109.10146	0.9
111.04378	0.6
111.66477	0.4
116.06743	0.4
117.07030	0.7
119.01904	11.0
119.04925	15.6
119.08559	2.7
120.01900	0.6
120.08121	1.1
121.02886	0.7
121.06464	0.4
121.10223	0.4
122.07169	0.6
123.04413	3.6
123.08035	0.9
124.08675	0.6
125.09509	0.7
133.02824	1.3
133.06477	0.7
135.04407	0.7
137.02963	4.8
137.05952	17.0
137.09535	0.9
142.03477	6.6
147.04393	12.8
147.08034	1.1
148.08684	0.8
150.03093	1.9
160.04550	2.9
165.05460	22.6
165.09091	1.6
165.11343	0.9
166.05980	0.5
166.08585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1115
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02364	1.0
53.03931	4.8
55.01866	1.7
55.05503	6.4
57.07058	1.2
62.79065	0.6
63.02374	1.7
65.03934	1.8
67.05498	2.9
68.04995	0.8
69.03425	6.9
69.07060	4.7
70.94177	1.8
70.94567	1.4
71.05014	0.9
77.03913	1.4
77.51391	0.6
79.05478	28.3
81.03410	1.2
81.04534	1.0
81.07032	5.7
81.71609	0.7
83.04955	2.0
89.03899	65.5
90.04234	2.2
91.05460	23.3
93.07024	37.8
95.04955	12.7
95.06058	1.1
95.08580	2.9
96.06870	0.7
97.07633	1.0
103.05449	14.3
105.03359	1.6
105.04501	2.8
105.07012	19.4
107.04933	20.9
107.08573	80.5
108.08897	2.1
108.20910	0.7
109.06488	3.8
115.05441	1.9
117.03355	52.4
117.07004	7.7
118.03693	2.2
119.04920	1.4
119.06059	1.2
119.08558	12.3
119.68703	0.7
120.05620	1.2
120.09344	2.2
121.06486	4.7
121.09330	0.8
121.10116	22.3
122.07111	1.9
123.07984	1.9
129.06926	1.1
130.06497	0.8
130.07756	4.2
131.04892	13.1
133.02835	5.4
135.04388	100.0
135.08049	6.2
135.11665	69.9
136.04713	4.4
136.07550	2.7
136.08546	1.4
136.12001	3.1
137.09583	1.1
143.08510	1.0
145.02826	37.1
145.03871	1.9
145.06461	2.7
145.10089	10.9
146.03157	1.6
146.07109	1.5
148.08783	1.0
163.03871	99.5
163.07497	10.3
163.09779	4.7
163.11127	35.3
163.14819	4.7
164.04265	4.4
164.06975	3.4
164.11388	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	beta-Dolabrin
Peak:m/z	Relative Intensity
51.02376	1.1
53.03939	7.6
55.01853	4.1
55.05494	1.0
63.02357	1.9
65.03931	4.6
67.05492	3.3
68.05007	1.4
69.03406	3.4
69.07041	2.9
71.01926	1.5
71.02262	1.8
77.03918	2.1
79.05481	42.6
81.03395	1.9
81.04535	2.2
81.07049	4.8
83.06056	1.3
85.02880	2.0
89.03903	54.3
90.04206	1.7
91.05468	89.0
92.02621	1.2
92.05774	2.6
93.07031	16.3
95.04957	12.9
95.06081	3.2
95.08611	1.9
96.06837	1.0
97.07629	1.5
103.05455	40.0
105.03358	2.7
105.04479	2.7
105.07010	23.2
106.06474	1.1
106.07227	1.0
107.04942	26.7
107.06059	1.7
107.08575	58.6
108.08904	2.3
108.50860	0.9
109.06491	7.7
109.07643	1.8
115.05441	30.4
116.06260	1.6
117.03361	39.9
117.07003	47.1
118.03640	1.8
118.06557	1.1
118.07286	1.9
119.04928	32.5
119.05886	1.7
119.06055	2.1
119.08562	5.6
120.05684	2.8
121.06480	7.1
121.10138	6.3
122.07123	3.7
123.07922	2.3
130.07771	1.7
131.04906	42.4
132.05229	2.0
133.02850	7.8
133.06485	1.7
135.04401	88.8
135.08032	71.9
135.11681	4.3
136.04747	4.8
136.07521	2.9
136.08539	3.9
145.02840	29.6
145.03934	1.6
145.06464	52.2
145.10109	4.4
146.03195	1.1
146.06911	3.2
147.04340	1.4
148.05180	9.5
162.28986	1.0
163.03882	100.0
163.07515	96.3
163.09544	7.1
163.10980	10.0
163.12308	1.8
163.14801	3.8
164.04289	6.3
164.08064	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	163.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43666	0.6
51.02362	0.9
53.03933	6.8
55.01868	3.1
55.05500	5.8
56.79691	0.6
57.03403	0.7
57.07053	2.4
63.02362	1.6
65.03923	1.9
67.05502	3.3
68.05013	1.1
69.03423	7.5
69.07057	9.0
71.04962	0.7
77.03901	1.1
79.05482	30.0
80.04987	1.3
80.05783	0.9
81.03381	1.9
81.04508	1.6
81.07034	7.2
82.05297	1.2
83.04966	1.1
83.08604	2.1
85.02879	1.4
89.03905	52.2
90.04230	2.2
91.05462	28.2
91.06045	1.3
92.02592	1.3
92.05782	0.8
93.07030	43.7
94.06556	1.1
95.04398	1.1
95.04955	15.0
95.06051	2.3
95.08578	4.4
103.05451	19.6
105.03376	2.3
105.04466	3.4
105.07010	23.5
107.04939	20.6
107.06082	1.4
107.08574	86.2
108.04472	1.2
108.05634	0.9
108.08213	0.7
108.08934	2.2
109.06514	4.2
109.07642	1.0
115.05441	3.0
117.03358	41.1
117.07008	7.9
118.03702	1.3
118.06490	1.1
119.04911	2.6
119.06061	2.1
119.08558	13.1
120.05595	1.3
120.09323	2.1
121.06466	7.1
121.10121	31.6
122.06067	0.7
122.07125	4.4
123.08016	3.6
123.14343	0.6
130.06415	0.9
130.07788	3.7
131.04910	18.9
132.05234	1.4
132.08041	1.2
133.02847	8.7
133.06459	1.3
133.07520	0.7
133.10101	1.3
135.04395	83.1
135.08032	7.2
135.11667	65.5
136.04738	4.4
136.07541	4.5
136.08678	3.3
136.11998	2.7
137.09601	1.0
143.08456	1.4
145.01669	1.4
145.02834	28.1
145.03897	1.4
145.06483	3.3
145.07526	0.7
145.10109	14.1
146.03206	1.3
146.07076	1.5
148.08766	1.3
163.03879	100.0
163.07506	13.3
163.09778	6.9
163.11122	36.4
163.14799	8.6
164.04282	5.1
164.06964	6.0
164.11536	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01871	1.0
63.02378	1.8
65.03946	0.6
66.22046	0.6
66.77991	0.6
67.05508	0.9
69.03426	1.6
69.07054	1.2
71.49887	1.3
77.03899	1.0
79.05479	14.7
81.03406	0.6
81.07052	2.2
89.03905	66.8
90.04243	1.4
91.05473	4.7
93.07014	4.8
95.04953	7.1
95.08635	0.8
103.05446	6.9
105.04501	1.4
105.07034	3.9
106.31914	0.6
107.04942	17.1
107.08572	8.3
108.74352	0.7
109.06549	0.6
115.05438	1.0
117.03362	55.2
117.07029	3.2
118.03725	1.1
119.08594	1.5
121.06470	1.1
121.10143	3.5
122.07117	0.6
130.07747	0.8
131.04909	8.1
133.02815	2.0
135.04395	100.0
135.08008	3.7
135.11700	1.7
136.04730	3.0
136.07526	1.3
136.08548	0.9
145.02827	38.3
145.10127	2.1
146.03165	1.2
158.06013	0.7
163.03879	85.6
163.07495	5.1
163.09781	1.4
163.11078	7.5
163.14780	2.6
164.04262	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	163.0387
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03936	2.7
63.02356	1.2
69.61674	2.8
69.62093	1.8
77.03911	0.5
79.05478	9.2
89.03902	61.5
90.04228	1.7
91.05457	0.8
93.07012	1.3
95.04951	2.3
95.08608	0.8
103.05444	2.3
107.04933	13.4
107.08591	1.2
108.28069	0.5
117.03359	54.8
118.03677	1.0
121.10154	1.2
124.27892	0.5
131.04933	2.8
135.04391	100.0
135.51596	0.6
136.04716	2.3
145.02827	42.0
146.03152	0.8
163.03879	76.9
163.07550	1.3
163.11160	0.7
164.04228	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0388
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03940	2.1
60.44796	0.3
63.02349	2.0
64.37759	0.3
67.68368	0.4
71.31191	0.8
79.05022	0.6
79.05483	11.0
89.03906	79.7
90.04231	1.4
91.05463	0.9
95.04948	3.9
97.41270	0.4
103.05463	0.5
105.04499	0.8
107.04936	13.7
108.05282	0.4
117.03365	58.8
118.03683	1.6
131.04890	0.5
135.04398	100.0
136.04701	2.0
145.02835	38.9
145.03865	1.5
146.03151	1.3
158.06082	0.5
163.03885	69.4
163.11128	0.7
164.04225	2.4
166.28383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
63.02369	1.7
65.03938	0.5
65.26994	0.4
71.37384	0.9
77.03927	0.8
79.05482	10.5
81.07036	0.9
83.02961	0.5
88.61444	0.5
89.03906	67.1
89.98103	0.4
90.04254	1.6
91.05473	0.9
93.07021	1.5
94.35276	0.4
95.04955	3.3
95.08617	0.7
103.05457	2.2
103.97395	0.4
105.04482	0.7
105.07028	0.5
107.04945	14.4
107.08577	2.3
108.05310	0.6
117.03365	53.6
118.03709	1.9
119.08538	0.6
121.10136	1.4
122.07070	0.5
131.04926	2.4
133.02876	0.6
135.04398	100.0
135.11656	0.6
136.04709	3.0
145.02832	38.1
145.03857	1.6
145.10086	0.5
146.03197	1.1
163.03883	75.7
163.07515	1.4
163.11165	1.9
163.14726	0.6
164.04213	2.7
175.34985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.8
55.01867	6.7
55.05241	1.2
55.05505	23.9
56.05030	23.8
56.96555	9.5
57.03202	1.1
57.03428	14.0
58.06591	6.5
58.99849	2.5
59.04985	1.1
59.07344	1.0
60.04509	2.4
60.08155	30.4
61.02653	1.3
61.02919	15.2
65.03925	3.8
67.05497	3.5
68.05004	2.2
68.99779	1.5
69.03419	21.3
70.06586	7.6
71.01348	1.5
71.04980	7.1
71.70207	1.5
72.04494	4.1
72.08147	2.3
73.02908	12.0
73.06550	19.6
74.06064	15.9
76.07601	2.0
77.00881	3.1
77.03922	1.4
78.48267	0.9
79.05483	34.6
80.04996	1.0
81.01009	1.4
81.01900	1.7
81.03400	8.8
81.07046	4.7
83.04948	3.0
83.08610	4.8
84.01559	1.6
84.04494	100.0
84.07647	1.7
84.08131	20.1
85.02893	51.9
85.04811	1.9
85.06534	11.5
85.08465	1.2
86.03220	1.6
86.06031	2.0
87.01882	1.2
87.04469	7.9
87.15479	1.1
88.02666	1.5
89.00723	0.9
89.03903	3.0
90.05543	13.1
91.03952	1.7
91.05457	7.6
92.02635	1.5
93.07015	2.0
94.02640	1.1
95.01312	2.0
95.04956	18.6
96.02365	1.2
96.04474	2.5
97.02309	1.0
97.02873	17.7
98.03180	2.0
98.06047	11.3
98.09677	2.3
98.97566	6.9
99.02038	1.3
99.04451	5.6
99.08064	1.1
100.02540	1.2
100.03927	1.4
101.00838	3.6
101.02380	2.8
102.00935	1.4
102.02383	1.5
102.05540	11.4
102.09165	55.3
102.96861	1.4
103.03928	39.0
103.05431	4.5
104.01254	1.6
105.02132	1.1
105.03371	3.1
105.04498	2.9
105.07018	1.7
106.06509	3.9
106.07260	1.4
106.72041	0.9
107.04938	45.1
107.08550	3.0
108.02395	1.3
109.02835	5.5
110.01260	2.4
110.02189	1.2
110.53994	1.2
111.02072	1.9
111.02941	3.2
112.02782	1.0
113.00839	1.3
113.02428	1.0
114.02401	1.2
114.09158	1.1
115.02425	2.4
115.03974	1.1
115.05386	1.1
116.07076	37.7
116.10704	4.1
116.98586	5.9
117.02088	1.5
117.03416	1.4
117.06993	3.1
118.03534	1.5
118.06498	1.2
119.01897	14.7
119.04945	3.0
120.01979	16.6
120.03291	1.3
120.04397	1.0
120.06539	10.4
120.08080	4.3
120.97906	1.6
121.01643	12.1
121.02805	5.5
121.06470	2.1
123.02933	1.9
124.53048	1.2
126.05505	1.2
126.09151	6.2
127.03917	6.1
128.02319	1.5
129.03845	1.1
130.04083	1.6
130.04971	12.1
131.01862	8.0
131.04900	4.7
132.08032	1.4
133.01714	2.2
133.02715	12.9
133.05165	2.3
134.03621	5.1
134.06010	7.0
134.09622	1.8
134.99632	4.5
135.03220	3.3
135.04398	37.0
135.08018	1.8
137.02933	4.4
138.03038	7.9
138.98920	1.8
139.02643	7.0
142.03346	1.8
143.01920	2.2
143.03529	1.6
144.02010	2.0
144.03172	2.0
144.06532	5.7
144.07849	1.0
144.10179	2.0
144.13815	6.3
144.47835	1.0
145.01729	1.8
145.03659	1.4
145.04951	5.4
145.06410	2.4
147.01344	1.3
147.03152	1.3
147.04973	2.9
148.05167	1.6
149.01234	2.9
149.02901	2.5
149.04761	2.7
151.04524	1.4
157.03442	22.7
158.03625	2.8
159.05019	1.6
160.05139	1.3
161.01227	1.3
161.02913	5.7
161.04672	2.1
162.03108	4.6
162.04279	1.8
162.05457	20.3
162.07617	2.8
162.09198	10.6
162.11235	98.1
162.14801	6.5
163.02840	3.7
163.03879	96.1
163.07515	4.7
163.08685	3.0
163.11372	3.6
167.02135	1.5
167.05545	2.7
173.02924	3.6
175.04449	6.1
178.06198	1.5
179.02235	2.0
180.05101	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	162.0548
Annotation	Jineol
Peak:m/z	Relative Intensity
51.02367	0.2
53.03927	0.5
55.01853	0.1
56.05040	0.2
56.08439	0.2
63.02358	0.2
65.03918	0.2
68.04996	0.1
68.99777	0.2
69.03389	0.2
69.64418	1.2
74.06052	0.7
77.87403	0.1
79.05482	1.8
80.05031	0.2
81.03391	0.2
81.04517	0.2
81.07035	0.2
83.06087	0.2
84.04479	0.2
85.02894	0.3
89.03909	3.8
91.05463	0.9
92.02558	0.1
92.04990	0.4
93.04539	0.1
93.07021	0.3
94.06550	0.6
95.04953	1.1
95.06065	0.2
96.04473	0.2
97.01493	0.1
98.06033	0.2
102.05486	0.3
103.03946	0.2
103.05440	1.8
105.03394	0.3
105.04507	0.4
105.07006	0.6
106.05312	0.2
106.06582	0.3
106.07316	0.4
107.04934	1.8
107.06047	0.2
107.08562	0.6
107.43903	0.2
116.04963	3.1
116.07101	0.2
117.03366	2.5
117.07013	0.4
118.06512	0.2
119.06040	0.2
120.04453	3.5
120.06554	0.2
120.08089	0.5
121.02862	0.2
121.06403	0.2
122.07117	0.4
123.07919	0.3
130.07719	0.2
130.51599	0.1
131.04915	1.9
133.02840	1.1
133.06488	0.2
134.03595	0.2
134.05980	1.1
134.09590	0.3
135.04401	6.2
135.08063	0.4
136.08705	0.2
144.04391	0.8
144.08015	0.2
145.02838	2.1
145.06396	0.3
145.09978	0.2
162.05476	100.0
163.03877	9.2
163.05827	3.1
163.07500	1.2
163.09697	0.4
163.11159	0.4
182.03989	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	162.0548
Annotation	Jineol
Peak:m/z	Relative Intensity
53.03938	1.7
55.01850	0.4
55.05505	0.3
56.05009	0.7
56.96545	0.7
57.03425	0.3
59.06099	0.5
60.04501	0.6
61.02917	0.2
62.60596	0.3
62.92961	0.2
63.02391	0.3
63.57664	0.2
65.03920	0.4
68.04993	0.3
68.99773	0.4
69.03393	0.7
69.07056	0.4
70.06566	0.3
71.09076	0.8
72.04517	0.7
72.08129	0.4
74.06077	1.5
75.05608	0.3
79.05481	4.4
80.05003	0.6
81.03397	0.5
81.04523	0.4
82.05320	0.3
83.06081	0.6
84.04482	0.8
84.08110	0.4
85.02879	0.8
86.06042	0.5
88.03978	0.4
88.07579	0.3
89.03907	4.2
91.05473	2.4
92.02600	0.6
92.04990	0.4
93.07021	1.0
94.02908	0.3
94.06536	1.2
95.01314	0.3
95.04491	0.3
95.04962	3.0
95.06065	0.4
97.02876	0.6
97.07616	0.5
98.06038	0.6
102.05531	1.3
103.05444	2.2
104.05740	0.3
105.03374	1.2
105.04500	0.8
105.06998	0.8
106.06534	1.5
106.07343	1.3
107.04939	3.7
107.06027	0.5
107.08569	1.3
108.05582	0.3
109.06509	0.3
115.05462	0.7
116.04968	3.6
116.05766	0.6
116.07082	0.4
117.03377	2.1
117.06960	1.0
118.06532	0.7
119.04900	0.8
119.08571	0.6
120.01980	0.4
120.04456	3.3
120.06564	0.8
120.08085	1.1
120.08883	0.6
120.96468	0.5
121.02869	0.3
121.04024	0.3
121.06483	0.7
121.10133	0.5
121.96636	0.7
122.07114	1.0
123.07951	0.8
131.04906	2.2
132.08192	0.3
133.02835	3.7
134.03616	0.4
134.05978	3.1
134.06889	0.7
134.09616	0.6
134.10535	0.3
135.04405	8.9
135.05444	0.6
135.08023	0.7
135.09076	0.4
136.08693	0.6
138.03116	0.4
138.98926	0.5
139.01794	0.9
143.97989	0.3
144.04390	0.6
144.06534	0.4
144.08003	0.3
145.02800	1.5
145.03867	0.6
145.04977	0.3
145.06447	0.6
145.09808	0.5
146.07114	0.3
161.02415	0.3
162.05478	100.0
162.09106	3.2
163.03880	21.5
163.05859	2.5
163.07504	2.2
163.09741	1.6
163.11137	1.3
163.12283	0.3
181.02867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1323
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03931	1.4
55.05507	4.4
65.03921	1.0
67.05138	1.2
67.05495	23.5
69.03418	1.9
69.07049	5.2
74.20435	0.7
78.93108	0.8
79.05482	31.9
79.34635	0.7
80.05813	1.0
81.07047	27.6
82.07362	1.1
83.08595	1.4
91.05467	75.7
92.05798	2.4
93.07031	22.6
95.04965	4.0
95.08593	16.0
103.05453	17.9
105.03376	0.7
105.07016	82.5
106.06624	0.7
106.07339	2.1
107.08578	4.0
114.28828	0.7
115.05468	3.7
117.07004	28.7
118.07284	0.8
119.08562	72.5
120.08098	0.9
120.08805	1.1
121.06480	2.4
121.10132	0.8
128.06226	4.1
131.04907	19.6
131.08511	4.1
132.09322	1.2
133.06502	6.1
133.10109	47.6
134.05981	1.0
134.06883	1.0
134.10484	1.5
137.96786	0.7
143.08519	7.6
145.06470	0.9
146.03618	1.0
146.07246	5.7
149.00890	0.7
159.11664	2.7
161.05975	9.0
161.09602	57.5
161.13237	100.0
162.05464	2.4
162.09949	2.6
162.13576	3.9
166.12152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.5
53.03934	8.0
55.01849	3.2
55.05480	3.2
56.05010	5.7
56.96563	8.6
57.03397	2.5
58.06590	45.7
58.99578	6.2
59.04992	7.3
59.06095	2.6
60.04488	5.9
60.95813	1.7
61.02898	4.4
65.03910	3.8
66.92339	1.2
67.05481	1.6
68.05003	2.6
69.03397	6.0
69.07054	11.5
70.06572	3.0
71.01332	1.6
71.49887	1.4
71.50224	2.5
72.04503	1.8
72.08147	7.8
73.02875	2.6
74.06066	11.3
74.11343	1.3
76.07637	8.4
79.05032	1.4
79.05476	22.6
80.04973	3.5
81.03387	3.5
81.04520	2.7
82.06561	1.4
83.06050	2.0
84.04491	7.9
84.08104	4.8
84.60688	1.4
85.02894	8.7
85.06516	1.6
86.06013	4.1
86.98997	1.3
88.07578	1.3
89.03904	7.8
91.05466	13.4
92.02602	3.0
93.06971	3.1
94.06465	1.5
95.01254	1.5
95.04953	15.7
95.06046	2.4
97.02847	5.1
97.07594	1.8
98.06013	3.7
98.97571	11.8
99.04437	1.5
100.07589	1.6
100.11198	1.4
101.07150	2.0
102.05527	7.3
102.09134	2.4
102.96819	4.9
103.03902	2.0
103.05457	10.1
105.03357	4.9
105.04446	2.2
105.05727	1.4
105.07038	7.5
106.06506	6.6
106.07298	5.5
107.04933	26.2
107.06037	2.7
107.08535	5.3
108.05615	1.5
109.02863	2.0
109.06503	1.7
111.63211	1.4
115.05436	2.6
116.01617	5.4
116.07062	3.5
116.98599	10.5
117.03315	2.6
117.07033	6.9
118.06481	5.3
119.01831	2.1
119.04913	2.8
119.06030	1.7
119.08510	3.1
120.01970	4.8
120.04420	2.9
120.05614	1.4
120.06544	4.9
120.08112	6.2
120.08832	2.3
120.96478	2.0
120.97844	7.1
121.01637	3.4
121.02808	2.5
121.06458	3.2
121.10054	1.5
121.96590	4.4
122.07132	3.0
123.07912	3.0
124.10445	1.3
126.05359	1.7
126.09064	1.7
127.43509	1.2
128.02248	1.9
128.98570	1.6
130.02806	1.8
130.06502	1.9
130.99995	1.4
131.04922	10.3
132.08015	2.9
133.02846	18.1
133.05196	4.6
133.07616	2.8
134.03566	1.6
134.05946	11.8
134.06924	2.5
134.09550	2.9
134.99599	4.1
135.04402	37.8
135.05409	2.5
135.07979	4.1
136.08604	2.2
137.99237	1.4
138.03024	2.8
138.98866	5.9
139.01694	3.3
144.04425	3.2
144.06450	2.0
144.10153	12.6
145.02763	3.4
145.03854	1.9
145.06454	2.8
145.09813	1.8
153.04866	2.1
156.99989	1.6
158.99605	4.9
159.03204	1.8
161.01042	2.1
162.03177	2.1
162.04414	1.7
162.05435	46.3
162.07631	2.5
162.09026	17.2
162.09995	1.5
162.11235	3.8
162.12460	2.7
163.03876	100.0
163.07457	8.8
163.08565	9.7
163.09741	4.0
163.11128	3.5
163.12317	1.4
177.00681	8.1
177.04294	1.8
181.02835	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1323
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.02377	0.3
53.03929	0.6
55.01862	0.5
55.05503	6.3
65.03911	0.2
66.03679	0.2
67.05476	0.6
69.03408	0.4
69.07057	3.0
71.70660	0.4
72.08151	0.4
73.08480	0.2
74.06042	0.3
77.03926	0.3
77.49182	0.2
79.05480	2.8
81.07043	1.9
85.02898	0.3
91.05463	9.4
93.04508	0.3
93.07021	2.0
95.04940	0.7
95.08580	0.3
103.05453	2.6
104.06231	0.8
105.07011	22.5
106.06619	0.3
106.07365	0.7
107.04899	0.4
107.08560	1.7
109.06479	0.3
113.02285	0.3
115.05429	2.2
117.07004	3.6
118.04152	0.7
118.07819	0.2
119.08558	100.0
120.05598	0.4
120.08040	0.4
120.08846	3.2
120.99759	0.2
121.06395	0.8
121.10114	3.1
127.50764	0.2
128.06200	0.7
130.07823	0.3
131.04900	0.9
131.08533	3.0
133.06493	2.7
133.10104	20.8
134.06023	0.5
134.07051	0.5
134.10432	0.7
137.96716	0.3
143.04895	0.3
143.08540	0.9
145.10117	0.4
146.03661	0.4
146.07224	0.8
146.10857	1.1
159.11655	1.1
161.05942	2.9
161.06989	0.2
161.08195	0.7
161.09569	5.2
161.13234	21.7
162.05386	0.5
162.09068	0.5
162.13564	0.9
165.92804	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1322
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.02377	1.0
52.57561	0.6
53.03933	2.0
55.01868	1.0
55.05500	5.2
55.46626	0.7
59.56605	0.8
67.05490	17.4
69.07047	7.4
69.68145	6.1
76.05064	0.8
77.03892	1.8
79.05019	1.5
79.05478	28.4
81.07040	28.4
83.08601	1.1
91.05461	71.2
92.05791	1.6
93.04519	0.8
93.07032	20.7
95.04940	3.3
95.08585	11.4
103.05446	77.2
104.05769	2.5
105.03371	1.8
105.07008	89.1
106.07320	1.9
107.04972	0.9
107.08571	4.7
115.05412	4.8
117.06994	23.7
118.04153	0.8
119.08556	83.9
119.95796	0.7
120.08135	0.8
120.08916	2.6
121.06480	0.8
128.06209	4.9
131.04900	84.3
131.08556	6.1
132.05222	4.1
132.09270	1.0
133.02847	1.1
133.06424	3.3
133.10101	45.7
134.10446	1.7
143.08528	6.9
146.03598	2.8
146.07233	1.1
146.10933	1.5
146.65315	0.8
159.11658	5.0
161.02316	1.2
161.05956	34.9
161.09593	34.4
161.13229	100.0
162.05338	1.6
162.06471	1.1
162.08946	1.4
162.13632	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	161.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
54.32013	0.4
55.01863	1.0
55.05489	1.7
65.03922	1.0
67.05503	3.0
69.03426	5.3
69.07048	1.4
69.67992	3.6
72.88274	0.4
74.06070	0.7
79.05481	7.2
81.07043	6.0
85.02931	0.5
91.05468	20.4
91.06039	1.0
93.07033	7.4
95.04944	1.4
95.08593	2.6
103.05456	22.2
104.05776	0.8
105.07015	57.1
106.06653	0.6
106.07345	2.7
107.04923	2.6
107.08572	1.4
115.05434	2.2
116.06181	0.7
117.06993	3.4
118.06505	0.5
119.04964	0.6
119.08564	26.8
120.06528	0.5
120.08897	0.4
121.06493	15.5
122.06821	0.8
128.06209	6.4
131.04913	26.0
131.08556	2.0
132.05286	0.7
132.09242	0.4
133.06482	4.5
133.10109	34.1
134.05959	0.7
134.09567	0.5
134.10501	1.0
140.61618	0.5
141.06940	0.6
143.08537	8.6
145.06436	3.8
146.03636	0.7
146.07246	24.8
147.07596	1.2
159.08037	1.4
159.11609	0.9
161.05981	11.1
161.09598	100.0
161.13239	23.1
162.05321	2.2
162.10049	4.4
162.13586	0.7
168.64708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0595
Annotation	Viburtinal
Peak:m/z	Relative Intensity
50.01590	0.2
51.02373	0.3
53.03940	0.5
55.01870	0.2
55.05483	0.2
67.05483	0.2
69.62305	0.2
69.62717	1.3
72.01581	0.1
77.03927	0.5
79.05490	0.4
81.07054	0.3
91.05478	1.0
93.07055	0.2
95.04961	0.9
102.04641	0.2
103.05451	85.5
104.05779	2.6
105.07018	2.4
115.05442	0.2
117.07005	0.2
119.08561	2.3
128.06230	0.2
131.04906	100.0
132.05243	3.3
133.06494	0.3
133.10089	1.1
143.08536	0.3
146.03569	0.5
146.07297	0.2
149.05966	0.3
161.05954	37.6
161.09554	2.8
161.13231	1.7
162.06297	1.2
164.00975	0.1
184.40717	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	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.01567	0.4
51.02358	0.4
53.03937	2.6
55.01867	4.9
60.04525	0.3
60.78908	0.4
66.04702	1.0
67.05493	0.5
70.04450	1.2
70.04868	0.8
77.03907	1.0
79.05479	19.0
81.07040	0.5
85.02920	0.4
87.82157	0.4
89.03896	1.1
90.04687	3.5
91.05469	5.1
92.02621	0.8
93.04499	0.6
93.07008	0.4
95.04958	5.4
97.02840	0.4
102.04674	0.8
103.05453	30.4
104.05756	0.8
105.04509	1.2
105.07012	100.0
105.76850	0.4
106.07360	3.4
107.04950	1.3
107.06077	0.4
115.05436	29.1
116.05758	1.2
116.07053	0.5
117.06995	0.4
118.04140	20.4
119.04369	0.4
119.08558	3.4
120.05601	0.4
120.08118	0.5
121.06376	0.8
128.06221	0.4
131.04904	8.6
132.05679	1.1
133.06467	50.0
133.10080	2.7
134.06909	1.5
141.23674	0.4
143.04976	0.8
143.06029	4.5
143.08505	0.5
146.03625	0.7
146.07248	0.5
161.05966	13.6
161.08157	0.9
161.09575	4.2
161.13243	2.2
162.05461	1.0
162.09184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24630	2.1
55.01846	6.6
55.05494	7.5
56.05014	5.6
56.96304	3.3
56.96558	51.4
57.03416	9.7
57.07050	4.8
58.06592	2.5
58.99575	4.1
59.04980	3.3
59.06090	7.3
60.04501	7.5
61.02908	5.9
61.52744	2.4
63.02364	2.2
65.03919	2.5
67.05489	13.4
68.04982	2.8
69.03424	16.9
69.07040	2.6
69.60384	4.5
69.60792	16.7
70.06583	13.4
71.01331	6.5
71.95275	2.4
72.04497	6.7
72.08152	15.9
73.02893	8.8
73.06533	2.0
73.08457	5.0
74.06059	7.9
74.97585	2.8
75.04465	3.9
79.05466	11.8
80.83119	2.2
81.03400	4.7
81.07043	6.3
83.04952	4.7
83.06111	2.8
84.04485	7.3
84.08138	10.9
84.95998	3.1
85.02878	15.1
85.06524	6.2
86.06048	7.6
87.04446	4.2
91.05445	15.8
93.04488	2.8
95.04936	4.3
97.02884	22.1
98.03146	2.7
98.06016	5.8
98.20747	4.0
98.97570	36.5
100.97144	6.7
100.97943	3.6
101.00871	13.0
101.02380	5.0
101.07104	6.3
101.95014	5.3
102.05514	9.7
102.96843	7.8
103.03912	3.0
103.05436	15.2
105.03328	4.4
105.07009	51.0
106.06546	3.1
107.04925	4.1
110.58932	2.6
113.02348	24.0
114.05538	4.0
115.03923	6.8
115.05427	8.8
116.07075	4.0
116.53212	2.3
116.98605	30.5
117.07051	2.9
117.11044	2.5
118.98214	6.3
118.99013	3.0
119.01903	100.0
119.08588	18.0
119.96046	4.2
120.01983	9.2
120.05597	4.3
120.06533	5.4
120.97896	9.6
121.06371	5.9
125.02348	2.6
128.98619	5.2
131.04878	11.4
131.08563	2.7
133.01653	3.0
133.05449	3.7
133.06465	25.5
133.10081	14.7
134.06058	5.7
134.07079	5.4
134.99629	17.5
137.02921	37.4
137.97047	3.1
138.03073	3.5
138.98889	6.2
141.02238	3.2
142.03447	3.7
143.01862	8.6
143.03371	3.1
143.04900	4.7
143.08478	3.0
144.06557	3.7
144.10138	3.7
146.03546	2.9
146.07237	5.1
146.99648	3.8
155.98097	2.7
158.99593	10.2
159.03285	5.9
161.01126	3.1
161.02911	13.4
161.04538	13.4
161.05954	24.0
161.07080	9.5
161.09486	27.1
161.13203	15.6
162.05464	19.2
162.07703	5.6
162.09099	5.7
163.02708	3.0
170.05116	2.9
177.00677	13.8
177.04340	6.9
179.02287	2.6
179.03923	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	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03887	0.2
56.96549	0.5
68.34426	0.2
70.71252	0.3
70.71629	0.4
72.08125	0.2
73.38447	0.2
82.99834	0.9
84.08128	0.6
88.51679	0.2
89.01624	0.2
98.96841	0.2
98.97541	0.5
100.02467	0.2
101.00867	14.7
102.00926	1.1
102.96835	0.4
103.00603	0.3
103.02382	0.2
116.98586	0.4
118.03517	0.3
119.01905	100.0
119.98721	0.3
120.01988	8.2
120.97839	0.2
121.01633	1.8
121.02354	0.4
124.02337	0.4
125.02600	0.3
125.51682	0.3
131.01805	0.2
133.01622	0.4
133.03398	0.3
134.99728	0.3
136.04620	0.2
137.02940	40.6
137.51659	0.3
137.99773	0.4
138.03027	3.1
138.96405	0.2
138.98943	0.3
139.02629	0.6
142.03477	2.9
143.01877	0.6
143.03615	2.5
144.03232	0.8
145.48842	0.2
146.52229	0.2
153.00645	0.2
156.97479	1.6
157.03444	0.5
160.04559	0.9
161.02939	4.2
161.04791	1.5
162.03069	0.3
162.04323	0.7
174.98512	2.8
177.00957	0.4
179.02428	0.5
179.03990	5.7
179.05484	0.4
179.99036	0.9
180.04155	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1165
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
52.00727	0.4
53.03939	0.5
55.05495	0.6
62.84874	0.4
67.05513	2.4
67.77235	0.4
68.72351	0.5
69.80511	2.3
76.93348	0.8
79.05485	1.3
81.07056	0.9
91.04914	0.7
91.05463	9.4
93.06998	0.7
103.05437	0.9
105.07016	16.2
105.07726	0.8
113.02367	0.5
115.05418	2.6
116.06219	1.8
117.05748	0.8
117.06998	18.5
117.96018	0.5
118.06549	5.0
118.07307	0.8
119.08558	10.9
128.06198	2.1
129.06987	15.0
130.06480	0.4
130.06833	0.4
130.07782	5.2
131.04933	1.0
131.08545	35.4
132.08051	1.3
132.08922	1.3
141.01889	1.0
141.07027	0.5
142.07742	1.7
143.08540	1.7
144.05684	0.8
144.09322	29.6
145.09685	0.9
157.10094	3.2
159.08110	4.7
159.11667	100.0
160.07516	0.8
160.12036	5.1
174.23734	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.3
56.96557	0.4
58.06583	0.2
58.99859	0.4
59.06118	1.2
59.93099	0.7
60.04511	0.4
64.03612	0.2
70.90572	0.5
72.08148	3.5
75.05599	0.2
77.00923	0.2
77.94149	0.4
82.01444	0.3
82.99796	1.2
83.81440	0.2
85.07654	0.3
86.06072	0.3
92.05798	0.2
98.97574	0.3
100.02457	1.6
100.03966	0.3
100.98051	0.2
101.00863	13.7
101.07120	0.4
101.95016	0.5
102.00945	0.4
102.02245	0.3
102.05549	0.4
103.00635	0.3
105.07009	0.5
113.02386	0.2
113.07079	0.2
114.05505	0.3
116.05759	0.2
116.98608	0.2
117.98967	0.4
118.01682	0.4
118.03504	7.3
118.06525	0.2
118.96755	3.2
119.01904	100.0
120.02001	2.5
120.03234	1.1
121.01627	1.6
121.02334	0.2
124.02427	2.1
126.12786	0.5
126.49537	0.2
132.08052	0.2
134.02956	0.3
134.99692	0.3
135.02562	0.2
136.00040	0.4
136.02766	2.8
136.04523	6.7
137.02943	45.4
137.99895	0.3
138.03052	1.1
138.04192	0.4
139.02702	0.8
141.05113	0.4
142.03479	41.6
143.03699	2.2
143.08156	0.3
150.95673	0.3
154.03734	0.5
154.96448	1.2
156.00827	0.3
159.06183	0.2
160.04536	45.3
161.02914	1.9
161.04617	2.8
161.09421	0.3
165.05087	1.8
172.97527	0.2
178.05588	16.8
179.03979	2.9
179.05505	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0915
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
55.01871	1.0
55.05521	0.8
56.05031	3.9
56.37794	0.4
56.96560	8.2
57.03430	1.1
57.04564	0.5
57.57718	0.4
58.02955	1.0
58.06598	1.1
59.06115	4.7
59.93104	0.9
60.04532	1.8
61.02917	0.4
66.99614	0.4
67.05516	0.8
68.05036	1.5
69.03423	0.8
69.04539	0.4
70.06596	1.7
71.01355	0.7
71.04991	0.5
71.06111	1.0
71.69051	0.5
71.69428	0.6
71.95271	0.9
72.04498	2.3
72.08138	4.1
74.06084	1.1
75.05586	0.7
76.04021	1.4
76.93383	1.6
79.05489	0.6
81.03420	0.6
81.04548	0.6
83.01342	0.4
83.04991	0.5
83.06097	1.6
84.04483	3.6
85.02901	1.8
85.07661	1.5
86.02428	0.9
86.06068	1.8
86.08420	0.7
87.04382	0.4
87.05596	1.0
88.07589	0.5
91.05472	2.9
92.04990	0.5
93.05791	0.5
94.94376	0.4
95.04971	0.8
95.06075	2.5
96.04475	2.1
97.07674	0.7
98.97565	13.8
99.04440	1.0
99.05562	2.4
100.03967	1.4
101.02380	0.6
101.07115	1.2
102.05527	2.2
103.05447	2.0
104.05002	0.6
105.07035	3.9
107.02853	0.4
111.05557	1.3
113.02351	2.5
113.05946	0.7
113.07114	4.6
113.07843	0.6
114.05516	1.6
114.09163	1.3
115.05439	29.1
116.04977	1.0
116.63138	0.4
116.98599	15.0
117.05750	16.8
117.07088	2.2
117.95964	1.1
118.05137	0.4
118.06532	7.9
118.96756	2.6
119.04829	0.5
119.08624	0.6
123.05514	0.5
124.03924	0.6
125.07080	0.6
129.06987	2.0
130.06506	26.2
131.04926	2.1
131.05902	0.7
131.06833	5.2
131.08537	4.5
132.08064	100.0
133.08388	2.9
134.99626	13.2
140.00174	1.1
140.04919	1.2
141.01797	6.7
141.06560	3.2
142.06494	38.1
143.07095	1.6
143.08266	0.6
144.05652	0.6
144.09311	1.7
149.96228	0.4
153.00677	2.0
153.96654	0.8
154.96487	0.6
158.01230	1.2
158.08362	1.6
159.06372	1.8
159.07758	5.8
159.09132	81.8
159.11623	7.3
160.03888	2.0
160.07547	18.5
160.09505	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	158.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.1
53.03920	2.4
54.03450	1.7
55.01849	2.9
55.05501	20.7
55.91909	1.0
56.05025	30.4
56.96552	20.0
57.03423	34.1
57.04526	2.6
57.07057	6.0
57.93557	7.1
58.02935	3.5
58.06585	10.8
59.04964	2.0
59.06112	25.8
60.04513	75.8
62.06069	1.2
67.02964	1.8
67.05495	9.3
67.79884	1.2
68.05013	7.2
68.05806	3.4
69.03397	4.7
69.04517	1.8
69.07058	25.5
70.02910	1.2
70.06580	34.4
70.07370	1.9
70.92149	1.9
70.92490	2.6
71.04955	5.1
71.06071	4.4
71.95246	2.6
72.04504	8.9
72.06851	1.9
72.08125	6.8
73.02894	3.2
73.04025	2.6
73.49598	1.2
74.06067	21.1
75.05573	5.0
75.94572	2.6
76.03957	3.8
76.93373	6.8
79.05091	1.2
79.05476	16.9
80.04972	1.1
80.05798	2.3
81.03397	2.1
81.04510	5.3
81.07041	100.0
82.02924	3.9
82.05257	1.2
82.06137	1.5
82.06569	17.5
82.07357	4.1
83.04972	7.7
83.06084	16.9
84.04494	13.7
84.06842	1.4
84.08111	4.1
85.02855	4.2
85.03991	3.4
85.06482	2.5
85.07610	3.9
86.02399	1.6
86.06044	8.7
86.08400	2.0
86.09689	26.0
87.05577	26.6
88.03934	1.3
88.07589	3.1
91.05449	5.2
93.06982	3.1
93.95618	2.8
94.06519	1.6
94.07384	5.9
94.49493	1.3
94.94363	2.6
95.04929	5.0
95.06055	8.4
95.08584	14.2
96.01502	1.2
96.04453	5.2
96.08102	3.5
96.08931	7.5
97.02871	1.9
97.04001	1.7
97.06524	6.6
97.07616	5.1
98.06048	11.4
98.07186	8.1
98.09674	86.2
98.97564	39.6
99.04406	4.5
99.05556	26.1
99.08075	68.2
99.09114	2.3
99.09992	3.5
100.03931	3.7
100.07603	17.9
100.99109	1.3
101.07092	3.9
101.07824	1.1
102.05478	2.5
102.07911	2.3
102.09172	10.3
103.05452	13.1
105.06994	5.1
110.06022	1.7
110.07104	4.4
110.10429	4.0
111.05529	3.7
111.07922	3.9
111.09127	1.5
112.03946	1.9
112.07580	19.1
112.08322	1.8
112.08735	1.9
112.11205	5.7
113.02369	6.1
113.05926	3.8
113.07113	11.9
113.10745	1.4
114.05486	2.6
115.05376	1.1
116.07059	9.7
116.08212	2.2
116.10704	19.8
116.96420	1.9
116.97237	22.8
116.98590	60.2
117.06953	4.3
117.95959	5.7
119.01848	1.8
119.08516	1.6
122.07112	2.8
122.09643	2.3
122.10429	4.1
123.05505	4.6
123.08022	4.9
128.02255	1.2
128.07037	1.7
128.10692	21.5
128.11612	2.4
129.06955	3.7
130.06503	23.8
131.04897	13.7
131.08556	12.4
131.99495	1.7
132.00626	1.2
134.99632	79.9
135.96994	5.3
140.00156	2.1
140.04192	1.3
140.06996	5.9
140.08113	8.3
140.10645	15.6
140.11537	4.6
141.01813	15.8
141.06541	9.5
141.09070	1.6
141.10118	2.7
143.08228	1.4
144.05597	1.3
144.09294	3.3
148.96153	3.7
152.96889	9.7
153.00679	16.1
158.01231	8.6
158.06001	41.0
158.08080	9.2
158.09526	57.2
158.11708	55.8
158.12759	1.9
158.15375	15.2
159.04391	2.5
159.06447	2.5
159.07788	8.5
159.10254	2.2
159.11642	17.7
170.97928	2.0
175.98439	2.4
176.02202	1.6
178.04942	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1222
Annotation	S-HNE
Peak:m/z	Relative Intensity
53.03933	0.7
55.01857	1.8
55.05232	0.5
55.05498	6.6
56.05011	0.7
56.96555	1.2
57.03433	2.6
57.07043	0.5
57.93542	0.4
58.06588	0.7
59.04985	0.7
59.06118	2.3
60.04505	1.1
65.03914	0.7
67.05492	20.6
68.05820	0.8
68.52633	0.4
69.03414	2.6
69.06736	0.5
69.07059	6.0
70.06583	3.2
70.95839	0.5
71.00523	0.5
71.00860	0.9
71.04986	2.9
71.06121	0.9
71.97591	0.4
72.04491	0.7
72.08129	0.6
72.93794	0.8
73.02888	1.6
73.66191	0.4
74.93815	4.5
75.05615	0.4
79.05483	3.3
81.07040	7.8
82.05312	0.6
82.06598	0.4
83.04970	2.7
83.06077	1.4
83.06876	0.5
83.08606	0.9
84.04479	1.2
85.02890	0.4
85.06520	0.7
85.07623	0.5
86.06057	0.6
86.09682	1.5
87.04437	0.6
87.05567	1.4
91.05453	2.2
92.94852	1.0
93.07030	19.2
94.07360	0.6
95.04954	0.9
95.08588	100.0
96.04517	0.5
96.08918	3.1
97.02872	1.0
97.04105	0.4
97.06519	6.0
97.07645	0.5
97.10164	1.2
98.06040	0.8
98.97564	4.3
99.04411	0.5
99.05551	0.9
99.08060	0.5
100.05012	0.4
100.07576	1.0
102.09172	0.6
103.05455	0.5
105.06996	1.9
107.88385	0.4
109.03413	0.4
109.10126	3.2
111.04424	1.2
111.05566	1.9
111.08064	2.4
111.09252	0.4
111.11747	0.9
112.07573	1.3
113.07101	0.5
115.96415	3.6
116.07056	0.7
116.97229	2.2
116.98602	4.1
121.10125	11.7
122.10448	0.4
128.06244	0.9
129.06985	2.6
130.06508	2.0
133.97444	2.3
134.99628	3.1
139.03888	0.8
139.07509	1.3
139.11145	10.5
140.07056	0.5
140.08125	0.5
141.06924	1.3
142.02663	0.6
142.07747	7.0
143.08482	0.8
144.85898	0.4
150.96899	1.3
151.97034	1.3
152.96951	0.6
153.00668	0.9
157.01321	0.6
157.04962	1.5
157.06331	1.0
157.07538	0.9
157.10048	4.6
157.12172	0.8
158.05981	0.8
158.08167	0.7
158.09595	6.6
158.15407	1.1
173.08499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0419
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
50.59293	0.9
65.38618	0.9
69.44016	11.5
73.32752	1.1
74.09713	26.8
82.15099	0.9
96.96923	5.2
98.21486	2.3
112.05273	2.0
119.01942	1.0
130.06285	27.0
131.01942	1.0
132.02008	3.2
133.01630	1.5
156.04199	100.0
157.04593	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1222
Annotation	60046-50-6
Peak:m/z	Relative Intensity
53.03930	2.7
55.01861	3.1
55.05505	15.3
55.93501	0.9
56.05027	7.5
56.96555	4.8
57.03422	6.3
57.04547	1.4
57.07066	1.4
57.93555	4.4
58.02935	2.0
58.06585	2.4
59.04990	1.0
59.06111	7.6
60.04518	10.9
64.84596	0.7
65.03920	2.2
67.05495	67.2
68.05017	2.1
68.05838	1.7
68.99778	0.8
69.03413	3.1
69.04546	1.1
69.06681	1.7
69.07058	27.8
70.02946	2.1
70.06584	9.8
70.95860	2.3
71.04983	7.7
71.06091	2.0
71.15622	0.7
71.25797	1.8
71.95245	0.8
71.95888	1.5
72.04507	4.1
72.08128	1.9
72.93776	3.5
73.02897	1.4
73.03996	0.9
73.06537	0.9
74.06065	2.3
74.93818	16.2
75.05592	2.5
75.94604	1.4
77.03909	0.8
79.05480	57.0
81.03411	1.2
81.04523	1.8
81.07043	27.5
82.02917	1.4
82.06568	1.4
83.01341	0.9
83.04974	9.8
83.06086	7.1
83.08616	1.8
83.82169	0.8
84.04498	4.2
84.08125	1.7
85.02885	1.2
85.04012	1.3
85.06550	1.3
85.07673	1.8
86.06040	2.0
86.08439	0.8
86.09691	2.6
87.04449	0.8
87.05576	9.2
88.07623	0.9
88.96882	0.8
90.94826	1.3
91.05459	8.0
92.94847	6.5
93.07030	100.0
93.38406	0.7
93.95637	1.1
94.06549	0.7
94.07362	2.2
95.04954	5.2
95.06080	2.0
95.08591	94.6
96.04487	1.6
96.08932	2.6
97.02881	3.7
97.03996	2.0
97.06514	12.4
97.07639	2.4
97.10150	1.9
98.06036	4.5
98.07154	2.2
98.09684	7.2
98.96153	0.9
98.97565	12.8
99.04445	1.7
99.05569	5.4
99.08082	6.3
100.03978	1.5
100.07601	2.9
101.07137	1.5
102.09155	2.5
103.05471	1.8
105.07033	3.7
107.08561	7.1
108.08958	0.8
109.10142	56.3
110.07246	0.8
110.10490	2.0
110.95879	1.4
111.04441	4.1
111.05563	9.1
111.06286	1.4
111.08065	7.0
111.09167	1.5
111.11708	1.5
111.98523	0.9
112.03958	1.6
112.07600	6.4
112.08324	0.9
112.08741	0.9
112.98669	0.8
113.07113	2.1
114.10265	0.8
115.04997	0.9
115.08765	0.9
115.96414	14.2
116.07082	2.4
116.10732	2.1
116.97218	14.4
116.98583	15.3
119.01862	0.9
119.08546	0.8
121.10129	57.7
122.07139	1.2
122.10480	2.2
123.05508	0.8
125.02354	1.0
128.06204	2.2
128.10689	2.7
128.89352	0.8
129.01808	1.6
129.05554	0.9
129.06996	6.2
129.99561	0.8
130.05005	0.9
130.06519	2.6
130.99696	1.0
131.99553	0.8
132.95770	1.9
133.96013	1.8
133.97452	8.4
134.02992	0.9
134.99637	21.4
139.03880	1.2
139.07535	3.2
139.11157	90.3
139.98808	1.0
140.00098	0.9
140.07059	2.4
140.08176	2.5
140.10579	1.2
140.11516	4.7
141.06929	1.2
141.10202	1.0
142.07758	8.4
148.96182	2.5
150.96870	5.6
151.97046	7.3
152.96901	6.0
153.00706	5.2
156.99040	1.4
157.01274	2.0
157.04933	4.9
157.06201	3.2
157.07607	2.4
157.10033	6.5
157.12204	9.1
158.01245	1.2
158.05981	2.5
158.08096	2.7
158.09599	16.6
158.11620	4.5
158.15424	2.9
170.97992	0.8
174.98685	0.9
175.98643	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1428
Annotation	Yomogi alcohol A
Peak:m/z	Relative Intensity
51.02380	0.4
53.03942	1.9
53.19932	0.4
53.71264	0.4
55.01867	0.9
55.05505	12.4
55.93515	1.0
57.03444	0.9
57.07057	4.9
59.04993	4.1
59.06121	0.7
65.03936	1.5
67.05497	17.6
67.77294	0.4
68.05016	0.9
69.03426	1.7
69.04539	0.6
69.07056	16.5
69.07429	1.0
70.06586	1.2
70.95850	5.0
71.04990	4.2
71.06067	0.6
71.08622	1.3
71.70642	0.9
72.93777	44.9
73.06541	0.8
79.05482	7.3
80.05865	0.6
81.03403	1.0
81.07044	100.0
82.06583	1.1
82.07379	3.5
83.04960	4.7
83.06071	0.5
83.08604	2.0
85.02895	0.7
85.06532	2.4
88.96894	1.0
90.94240	0.6
90.94811	10.1
90.95344	0.8
91.05455	1.4
93.07037	2.2
95.01297	0.5
95.04958	5.8
95.08591	65.8
96.04503	0.5
96.05650	0.6
96.08919	2.0
97.06496	1.5
97.07644	0.6
97.10157	6.2
98.07161	0.7
98.98465	1.9
99.04453	2.5
99.08096	2.3
108.95851	2.1
109.02861	0.9
109.06525	2.5
109.07649	0.8
109.10149	6.6
110.06021	1.5
110.07135	0.7
111.04426	3.8
111.11707	2.2
111.98471	2.0
112.01543	0.7
112.08694	1.6
113.06001	2.5
113.07108	0.7
113.08297	0.9
113.96380	18.8
114.06644	0.7
114.10256	0.6
123.04401	1.7
127.03892	2.8
127.07567	1.4
127.11131	0.7
129.05489	0.7
129.99484	1.4
131.97418	18.3
131.98418	0.9
132.95810	4.7
137.05946	1.0
137.07961	0.6
137.09612	1.5
137.13229	12.0
138.05522	0.5
138.06577	1.3
138.09125	1.0
140.04674	0.7
141.06950	0.8
145.06514	0.7
146.55853	0.5
149.97203	1.0
150.96870	14.9
153.06970	0.7
154.98996	2.0
155.03423	2.3
155.04494	0.6
155.06989	7.5
155.08495	3.8
155.10638	1.4
155.12885	1.3
155.14265	2.2
155.97357	0.8
156.06522	0.9
156.07973	0.6
156.09158	0.6
168.97878	0.7
173.98476	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1428
Annotation	Yomogi alcohol A
Peak:m/z	Relative Intensity
53.03941	0.7
55.01872	0.3
55.05507	6.9
56.01760	0.3
57.03438	0.5
57.07069	4.1
58.06564	0.3
59.04718	0.3
59.04994	4.4
63.44484	0.3
63.79968	0.3
65.03936	0.5
67.05500	9.3
67.72150	0.3
69.03426	0.7
69.07060	20.5
70.06585	0.5
70.07388	0.5
70.18970	1.3
70.95842	1.1
71.04983	3.3
71.08610	1.0
72.93781	8.0
73.06548	0.7
79.05485	6.8
79.89192	0.3
81.03432	0.5
81.07047	100.0
82.07375	3.4
83.04974	1.5
83.08622	2.5
84.04479	0.3
85.02896	0.5
85.06530	2.5
90.94801	2.1
91.05492	0.8
93.07037	1.6
95.04940	3.1
95.08595	37.7
96.08916	1.2
97.02888	0.8
97.06528	0.5
97.10167	1.2
98.20720	0.3
98.98453	0.6
99.04449	0.5
99.08083	3.0
107.08582	0.3
108.95835	0.5
109.02844	0.4
109.06525	1.1
109.10154	2.5
111.04440	1.1
111.11718	2.6
111.98456	0.4
113.06002	0.6
113.09631	0.3
113.96387	3.6
115.96068	0.3
123.04419	0.6
126.77383	0.3
127.03918	1.1
127.07576	0.7
131.97446	3.4
132.95851	1.3
137.05991	0.7
137.09647	0.6
137.13232	8.1
138.13593	0.4
140.04587	0.3
141.06993	0.5
150.96841	2.7
154.99036	0.3
155.03410	0.5
155.07034	2.3
155.08536	2.0
155.13091	0.6
155.14268	3.1
156.09273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52933	0.4
52.46494	0.4
53.03936	1.1
55.01859	2.0
55.05502	1.2
55.41339	0.4
55.93515	0.5
56.96556	8.1
57.03423	3.2
58.99850	4.6
59.52168	0.4
59.99939	0.5
60.00636	0.4
61.02909	1.5
67.05486	1.8
68.00269	0.5
68.05019	3.1
68.98269	0.5
69.03423	2.9
69.96175	1.0
70.06583	9.4
70.51871	0.8
70.95851	2.9
70.98112	0.9
70.99842	1.3
71.01360	0.4
71.04958	0.9
72.04517	0.5
72.08142	7.3
72.93775	6.6
73.02909	3.0
74.09707	3.9
74.41661	0.4
77.00906	4.1
78.52937	1.9
79.05483	0.6
81.03411	2.3
81.07057	1.3
82.01430	4.1
82.99831	1.2
83.04959	0.8
83.06078	1.0
84.01511	0.9
84.04490	1.2
84.08127	0.5
85.01389	1.2
85.02899	2.4
85.07689	0.5
86.06054	16.1
86.30696	0.4
86.69228	0.4
87.53456	0.6
88.02666	0.7
90.94802	1.6
91.00534	0.9
91.02410	0.6
91.05466	0.6
92.52679	0.6
93.02019	1.0
93.04502	0.6
94.99776	0.5
95.01342	0.6
95.01942	0.9
95.04958	1.4
95.06041	0.9
96.02428	0.8
96.04478	20.8
97.02866	3.2
98.01303	0.8
98.03215	0.6
98.97584	2.2
99.02032	1.0
99.04425	0.9
100.00079	0.6
100.01051	0.8
100.02470	23.3
101.00861	19.2
101.02550	1.6
101.53220	0.8
102.00967	1.4
102.02366	1.2
103.00584	0.9
103.02427	4.5
103.03128	0.6
105.00343	1.4
105.02064	0.9
108.02491	0.6
108.95824	0.5
109.02866	0.6
109.06501	0.8
109.10149	0.5
110.07156	4.7
110.09673	1.7
110.97546	0.5
111.02058	1.0
111.02853	1.0
111.04436	0.5
111.98471	0.8
113.00848	12.3
113.06017	0.5
113.07104	0.5
113.96380	1.8
114.00974	1.5
114.04014	2.5
115.02412	2.0
116.98607	1.2
118.01102	2.0
118.02827	0.4
118.03502	15.5
119.01902	90.3
120.01984	3.0
120.08105	0.8
121.01624	2.8
121.03505	2.0
123.01356	0.5
123.04026	1.3
124.02458	2.2
127.03858	1.2
128.98611	0.6
129.03941	0.5
130.03543	0.5
130.06288	3.9
131.01888	100.0
131.96165	1.8
131.97412	1.6
132.01939	10.2
132.05028	6.9
132.95784	3.2
133.01573	2.8
133.03439	11.7
133.05037	0.6
134.99677	0.5
136.02417	0.6
137.02940	28.4
137.10710	6.1
138.03061	0.7
138.09117	19.1
141.02670	0.5
141.05095	1.1
142.03481	26.6
145.03493	2.6
145.04483	0.5
146.03571	0.5
146.99548	0.7
147.01346	0.6
147.03114	0.7
147.04987	0.8
149.01128	1.4
149.02939	24.8
149.96112	0.8
149.97153	3.3
150.02956	3.1
150.06070	3.6
150.96869	6.1
150.99162	0.5
151.02681	0.8
151.04498	3.9
154.03453	4.2
154.90776	0.6
155.01878	7.8
155.03554	1.9
155.06953	1.7
155.08147	2.0
155.11780	3.9
156.02094	0.7
156.02972	1.0
156.04161	14.6
160.04536	8.3
163.04509	1.1
164.04695	0.5
165.05063	1.5
172.04558	1.0
173.02943	11.1
174.03065	1.5
174.06143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31352	0.2
53.03932	0.5
53.45945	0.2
54.08034	0.2
55.01851	0.8
55.05503	6.1
56.05023	0.9
56.05822	0.3
56.96555	0.4
57.03408	0.6
57.06800	0.3
57.07066	4.8
58.06578	0.2
59.04980	0.4
65.03913	0.6
67.05494	2.7
68.05016	0.9
68.05821	0.2
69.03421	1.3
69.04532	0.3
69.07059	2.6
70.02952	0.2
70.06583	1.1
70.07396	0.3
70.60172	0.7
70.76973	0.2
70.94242	0.3
71.04610	0.2
71.04980	2.4
71.94067	0.2
72.04478	0.2
72.08140	0.3
72.93777	6.3
73.02925	0.2
79.05482	2.4
80.04998	0.5
80.05803	0.5
81.03400	0.6
81.04517	0.3
81.07042	11.0
82.06562	1.7
82.07371	0.5
83.04972	1.6
83.06091	0.2
83.07354	0.5
83.08600	1.5
84.04486	0.4
84.05289	0.7
84.08125	0.7
85.02883	0.3
85.06522	1.3
87.04443	0.4
90.94810	1.3
91.05466	1.0
92.05774	0.2
93.05764	0.7
93.07024	0.8
94.06546	0.5
94.07348	0.4
95.04946	1.8
95.06065	0.7
95.08591	3.6
96.04491	0.9
96.06851	0.2
96.08123	0.4
96.08935	0.4
97.05262	2.8
97.06490	0.6
97.10126	0.2
98.06039	3.0
98.09672	1.8
98.98460	0.2
99.04425	0.7
99.08087	0.3
106.07400	0.2
107.08559	0.4
108.08095	3.0
108.08902	0.9
109.02827	0.4
109.06504	6.1
109.07603	1.1
109.08301	0.2
109.10133	2.3
110.06026	3.9
110.10498	0.2
111.03237	0.2
111.04418	0.9
111.05637	0.2
111.06809	3.7
111.08055	0.8
111.09199	0.7
112.01581	0.2
112.04759	0.4
112.08630	0.4
113.05987	0.5
113.96382	3.1
114.06671	0.3
121.06487	0.3
123.04440	0.2
124.03956	0.2
124.07553	0.5
125.08366	0.9
126.05481	0.7
126.06292	0.2
126.09130	3.6
126.09985	0.2
127.03936	0.4
131.97418	2.7
136.07539	1.3
136.08426	0.7
136.11972	0.2
137.02307	0.2
137.05966	0.5
137.07027	0.3
137.09595	0.7
137.10692	0.3
137.13231	0.8
138.05508	0.8
139.06256	4.2
139.07500	1.3
140.04672	0.2
140.06567	0.2
148.97330	0.5
152.07048	0.6
154.08600	100.0
154.98982	0.3
155.03349	0.7
155.04860	0.2
155.07109	1.3
155.08936	3.6
155.10570	0.4
155.13039	0.2
155.14279	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00301	2.3
53.03940	5.1
55.01862	3.5
55.05505	27.3
56.05022	1.0
56.74693	1.0
56.96550	0.9
57.03423	3.0
57.07062	2.0
59.04997	8.3
65.03931	12.8
67.05497	21.5
68.05017	2.3
69.03416	6.0
69.04543	1.4
69.07060	18.6
69.65852	2.5
69.66262	5.4
70.06569	2.2
70.94261	3.0
71.04985	33.6
72.08152	1.6
73.06544	18.8
79.05487	48.0
80.05018	1.6
80.05824	1.4
81.03410	1.0
81.04521	1.5
81.07047	100.0
82.07373	2.3
83.04981	8.2
83.06086	1.7
83.08619	4.5
85.06549	5.4
87.04479	1.1
91.05471	17.5
93.03394	6.8
93.07034	56.3
94.07355	2.7
95.04955	9.8
95.06035	1.1
95.08598	29.0
97.02865	2.7
97.03972	1.3
97.06514	12.8
97.07643	1.4
99.04440	1.3
105.07033	7.0
106.79720	1.0
107.04958	11.1
107.08582	57.2
108.08898	1.2
109.06517	7.3
109.07657	2.1
109.10136	13.6
110.03638	2.1
110.07185	1.9
111.04432	20.5
111.08059	10.1
111.09196	1.9
111.96896	1.4
112.07619	1.1
112.08718	3.0
113.05850	3.2
115.05422	2.0
117.07014	3.5
117.43811	0.9
119.08570	2.4
125.05957	8.1
125.09635	3.7
126.05464	1.6
126.10296	1.1
129.97934	1.3
130.96329	1.2
135.04442	2.2
135.08049	12.4
135.11674	25.9
136.07568	2.4
136.08607	1.8
148.97343	3.0
153.01826	1.3
153.05461	9.1
153.07880	1.2
153.09082	6.2
153.10225	1.8
153.11348	6.5
153.12738	16.5
154.04956	1.9
154.08600	2.5
154.09727	2.0
174.75731	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1271
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03926	2.0
53.88255	0.4
55.01860	1.3
55.05500	11.1
56.92299	0.5
57.03436	2.9
57.07056	1.5
59.04980	1.4
63.87653	0.5
64.44294	0.5
65.03932	5.1
67.05492	22.6
68.05019	0.8
69.03400	1.9
69.04530	0.8
69.06684	0.9
69.07056	14.6
70.56058	1.1
70.56458	1.1
70.94234	1.2
71.04975	5.5
73.06537	1.5
75.90086	0.5
79.05480	14.3
81.07043	18.4
82.06596	0.6
83.04961	4.5
83.08597	3.5
84.04478	0.5
91.04921	0.8
91.05466	10.8
93.03375	1.9
93.07030	24.4
94.06467	0.7
94.07345	0.7
95.04417	0.3
95.04948	11.2
95.08588	100.0
96.08928	2.9
97.06507	6.4
98.20756	0.5
105.06998	4.1
107.04961	3.1
107.08573	29.3
108.08904	0.6
109.06505	3.2
109.07630	0.7
109.10139	11.1
111.04423	8.0
111.08071	3.8
111.09158	0.5
111.96819	0.6
112.08719	0.8
117.07017	1.3
118.30309	0.5
119.08572	3.7
120.09321	1.7
123.11662	1.6
125.05965	3.3
125.09624	1.4
126.09106	0.6
135.04349	0.9
135.08069	3.6
135.11673	18.8
136.07533	0.8
148.97391	0.6
153.01744	0.5
153.05450	2.2
153.07985	0.5
153.09113	3.0
153.10138	0.5
153.11366	2.0
153.12688	11.7
154.04999	0.8
154.08583	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.127
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02379	0.5
53.03933	2.3
55.01860	2.1
55.05503	16.1
57.03429	4.5
57.07074	2.7
59.04986	1.5
65.03929	21.4
67.05494	29.1
68.05022	1.3
68.05851	0.7
68.99787	0.8
69.03412	4.1
69.07056	35.0
69.69296	3.3
70.06573	1.6
70.07372	0.5
70.94257	2.3
70.95845	0.7
71.04983	5.1
71.94079	1.4
72.08133	0.7
73.06531	0.7
77.03909	0.6
79.05479	22.1
80.04999	0.8
81.03389	1.0
81.07042	31.5
82.06564	0.5
83.04968	8.2
83.06087	0.9
83.08601	10.0
85.02861	0.7
87.04488	0.9
88.95261	0.8
90.51622	0.6
91.04913	0.9
91.05463	12.7
92.05810	0.6
93.03393	8.5
93.07027	63.0
94.07349	1.7
95.04950	25.8
95.08588	100.0
96.05260	0.7
96.08928	3.1
97.02881	0.8
97.05877	0.7
97.06516	12.0
97.07607	0.5
103.86333	0.5
105.04501	0.9
105.07013	4.9
107.04943	4.5
107.08575	66.3
108.05624	0.7
108.08217	0.7
108.08902	2.6
109.06497	4.7
109.07594	1.7
109.10138	29.7
110.03632	3.4
110.07176	0.5
111.04421	35.8
111.08054	7.9
111.09206	0.9
111.96826	1.0
112.04777	1.4
112.08690	1.9
113.05862	0.8
115.05405	0.8
117.07003	0.6
119.06046	0.8
119.08555	1.4
121.06465	0.6
123.04398	1.6
123.11691	2.5
125.05970	18.8
125.06902	1.1
125.09581	2.1
126.05451	2.2
126.06277	0.7
129.97871	1.0
130.38594	0.5
135.04384	2.0
135.08035	5.2
135.11668	26.5
136.07523	1.6
136.08560	1.0
136.11977	1.2
148.97278	0.9
153.01791	1.9
153.05449	9.4
153.06580	0.8
153.09097	6.9
153.11331	3.6
153.12703	25.0
154.04944	2.2
154.08586	1.2
154.09683	0.8
154.13074	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1271
Annotation	(+)-cis-p-Mentha-1(7),8-dien-2-ol
Peak:m/z	Relative Intensity
53.03928	3.4
55.01851	5.0
55.05502	36.7
57.03425	8.4
57.07053	3.9
59.04994	7.3
63.68259	1.2
65.03925	9.2
67.05141	2.2
67.05493	38.7
68.05013	1.6
69.03416	12.7
69.07056	51.1
70.06576	2.0
70.94244	1.8
71.04992	6.6
71.54984	2.6
72.08136	1.6
73.06519	1.3
79.05478	31.6
80.05005	1.2
80.05805	2.3
81.03383	1.6
81.07041	41.2
82.06585	1.7
82.07339	1.4
83.04966	41.6
83.08607	14.6
85.06526	1.9
91.05463	19.4
93.03385	5.1
93.07029	77.2
95.04958	12.6
95.06029	1.9
95.08590	100.0
96.08131	2.6
96.08887	1.7
97.02855	1.9
97.05228	1.2
97.06507	19.6
97.08423	3.6
97.10111	1.1
105.07017	6.9
107.04920	5.5
107.08573	86.2
108.08102	1.9
108.08844	2.1
109.06497	9.5
109.07589	1.9
109.10140	38.0
110.03630	2.9
110.05988	1.6
110.07182	1.9
111.04428	20.1
111.06816	2.7
111.08062	73.0
112.04796	1.3
112.08649	2.1
113.05859	1.8
115.05438	1.4
117.06951	2.1
123.11675	3.4
124.28703	1.3
125.06016	9.4
125.09607	41.2
126.05474	2.8
126.09113	1.5
126.10053	1.8
135.04370	2.9
135.08044	10.5
135.11664	27.6
136.07611	1.5
136.08603	1.4
139.06386	1.3
139.07501	4.1
143.19540	1.0
153.01802	1.3
153.05467	7.7
153.07716	2.3
153.09076	17.7
153.11371	6.0
153.12711	37.6
154.05009	2.4
154.08598	31.0
154.09703	2.7
154.12990	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1271
Annotation	(+)-cis-p-Mentha-1(7),8-dien-2-ol
Peak:m/z	Relative Intensity
53.03929	7.1
55.01861	10.5
55.05499	100.0
56.05021	1.3
57.03426	6.0
57.07066	7.3
59.04993	1.6
61.07425	1.3
65.03932	11.1
67.05135	2.5
67.05486	36.3
68.04987	1.6
69.03419	9.4
69.07053	80.8
70.06567	2.4
70.07385	1.6
70.94221	2.1
71.04981	6.9
77.03893	1.9
79.05475	41.5
81.07040	43.5
83.04964	56.5
83.08170	1.5
83.08606	17.3
85.06527	2.3
91.05462	29.0
92.05788	1.6
93.03381	3.5
93.07024	80.9
94.07370	2.1
95.04948	64.0
95.08585	58.9
95.09200	2.8
96.05704	1.3
97.06508	46.4
97.10125	2.0
98.21439	3.1
105.04458	1.7
105.07011	10.4
107.04919	6.6
107.08571	94.4
108.08110	2.4
108.08868	2.9
109.06482	11.7
109.07661	1.7
109.10136	40.2
110.03625	1.9
111.04419	21.0
111.08048	17.5
111.11669	2.7
112.08724	2.6
113.05792	2.2
115.05428	3.6
117.06973	14.5
119.06027	2.1
119.08541	3.7
123.11655	1.4
125.05962	7.8
125.09589	5.5
126.05463	1.5
126.09101	1.6
135.04390	2.7
135.08032	33.3
135.11664	27.6
136.07480	1.6
136.08441	2.9
136.11937	1.3
139.06277	1.5
153.01826	2.0
153.05504	7.5
153.09084	25.1
153.11398	4.2
153.12703	58.3
154.04958	1.9
154.08586	21.1
154.09726	3.0
154.13116	2.5
158.40790	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.29017	0.2
52.68092	0.2
53.03926	0.7
53.20538	0.2
54.03465	0.2
55.01857	1.0
55.05502	6.7
56.05013	0.3
57.03433	1.0
57.04535	0.2
57.07051	0.6
58.06587	0.2
59.04980	0.4
65.03931	2.6
65.29905	0.2
67.05494	22.2
68.05019	0.3
68.05819	0.8
68.99774	0.2
69.03408	1.0
69.07055	4.8
69.35890	2.6
70.06578	0.6
70.94242	0.9
71.04974	0.9
73.06562	0.3
79.05481	8.7
79.65395	0.2
80.05034	0.3
80.05811	0.4
80.06255	0.3
81.04529	0.6
81.07042	7.1
82.06573	0.2
83.04967	2.2
83.08594	1.3
84.08111	0.3
85.06504	0.6
85.07645	0.3
91.05466	7.2
93.03381	0.8
93.04498	0.2
93.07028	15.7
94.06561	0.5
94.07377	0.6
95.04964	2.1
95.08588	100.0
96.08926	3.1
97.02883	0.3
97.06516	3.0
97.10177	0.3
98.06052	0.3
105.07006	3.4
107.04967	1.4
107.08575	22.3
108.04504	0.3
108.05621	0.2
108.08142	0.3
108.08907	0.9
109.06495	2.4
109.07633	0.5
109.10147	4.1
110.03613	0.4
110.06035	0.4
111.04424	3.3
111.08061	1.5
111.09188	0.3
111.96811	0.2
112.08762	0.5
113.05866	0.9
115.05426	0.3
117.07010	0.9
119.06067	0.4
119.08555	3.9
120.09328	0.8
121.06486	0.3
123.04420	0.3
123.08066	0.4
123.11690	1.3
125.05978	2.1
125.09614	8.5
126.05480	0.4
126.09087	0.3
126.09955	0.3
135.04373	0.4
135.08028	5.1
135.11673	9.4
136.07550	0.5
136.08569	0.4
136.12039	0.4
137.09613	0.3
139.06299	0.3
148.97296	0.5
153.01912	0.3
153.05476	1.3
153.07806	0.4
153.09077	5.2
153.11359	1.4
153.12733	4.8
153.13873	0.4
154.04991	0.3
154.08595	3.7
154.09691	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0907
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.03927	1.0
55.01851	1.4
55.05503	3.7
57.03424	1.6
57.07047	0.7
57.55389	0.5
65.03928	12.0
67.05488	11.1
69.03408	2.1
69.07049	2.8
69.92492	0.9
69.92907	1.7
70.06576	0.6
70.94235	1.2
71.04951	0.8
77.03931	0.7
79.05479	47.5
80.05785	0.9
81.03400	0.9
81.07041	42.5
82.07365	1.3
83.04958	5.1
83.08597	0.7
91.05462	9.9
93.03388	6.0
93.07021	7.9
94.06561	0.4
95.04948	8.3
95.06022	0.5
95.08588	4.2
97.06512	17.8
97.10137	0.5
105.07013	5.4
107.04932	10.4
107.08572	56.7
108.08919	2.0
109.06499	4.8
109.10132	10.6
110.03625	1.6
110.07118	0.5
110.10463	0.4
111.04419	20.6
111.08057	3.4
111.96874	0.5
112.04736	0.9
112.08695	1.2
113.05830	0.5
117.07000	0.8
119.06038	0.9
123.04408	1.1
125.05966	100.0
125.09599	9.3
126.05495	0.7
126.06307	3.3
129.97910	0.7
135.04420	0.7
135.08029	22.9
135.11635	3.1
136.08482	0.7
138.03168	0.6
153.05482	5.3
153.09077	34.4
153.11249	1.7
153.12704	2.5
154.04927	0.7
154.09482	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0908
Annotation	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Peak:m/z	Relative Intensity
51.02350	0.5
53.00293	0.3
53.03933	1.6
55.01864	1.7
55.05501	4.5
56.05009	0.4
57.03418	1.4
57.07050	0.5
59.04978	0.8
59.06119	0.5
62.30764	0.3
65.03931	13.0
67.05182	0.4
67.05497	5.7
68.05007	0.7
68.99796	0.3
69.03426	3.3
69.04557	0.4
69.06744	0.3
69.07060	4.7
70.06571	0.8
70.94228	1.3
70.95830	0.4
71.01337	0.7
71.04962	1.4
71.94074	0.6
72.08128	0.5
73.02908	0.5
79.05483	27.1
80.05804	1.2
81.03402	0.6
81.06599	0.5
81.07049	6.7
82.04243	0.4
82.06547	0.3
83.01318	1.5
83.04969	5.9
83.06081	0.5
83.08595	1.4
85.02885	0.9
88.95257	0.4
91.05467	20.7
92.05776	0.8
92.06268	0.6
93.03391	5.0
93.07038	9.3
94.06569	0.4
95.04955	9.5
95.06051	1.1
95.08591	6.0
96.05319	0.4
96.79327	0.3
97.02873	1.1
97.06514	6.0
105.04492	0.6
105.07013	8.8
107.04356	0.4
107.04941	11.7
107.08578	34.5
108.05302	0.5
108.08200	0.3
108.08920	1.3
109.06498	8.1
109.07249	0.4
109.07629	0.9
109.10146	4.0
110.03650	2.7
110.07204	0.7
111.04427	24.1
111.08051	4.9
111.09173	1.2
111.96867	0.8
112.03902	0.3
112.04761	1.1
112.08718	1.4
112.96755	0.4
115.05424	1.3
117.07006	1.0
119.06056	1.7
123.04404	1.4
123.08034	0.4
125.05975	11.6
125.09609	4.8
126.05471	0.8
126.06398	0.6
129.97899	0.5
134.06033	0.4
135.04453	3.7
135.08034	100.0
135.11615	3.5
136.07486	0.7
136.08389	5.1
137.02319	2.7
138.03102	4.3
138.06746	3.9
153.01888	0.7
153.05464	15.1
153.09088	36.8
153.11295	3.1
153.12712	4.2
153.13870	0.7
154.04927	1.1
154.05962	0.6
154.08408	1.6
154.09535	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0908
Annotation	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Peak:m/z	Relative Intensity
50.57885	0.4
53.03933	1.6
55.01859	5.2
55.05501	16.2
56.05846	0.7
57.03440	3.2
57.07061	1.9
59.04710	0.7
59.04988	8.4
62.73826	0.4
65.03932	5.9
67.02996	0.4
67.05494	13.6
68.05003	0.9
68.96326	0.7
68.99777	0.8
69.03040	0.7
69.03418	15.5
69.07058	21.4
69.74271	1.9
69.74702	1.5
70.06590	0.7
70.94232	0.9
71.01347	0.7
71.04975	2.4
71.08612	0.6
72.08151	0.7
73.06539	0.6
73.66698	0.5
79.05481	18.0
80.05818	0.9
80.26546	0.4
81.03422	0.5
81.07043	22.0
83.04964	18.7
83.08611	5.0
91.05463	12.2
91.06036	0.7
93.03403	1.5
93.07030	26.5
94.07349	0.9
95.04392	0.9
95.04958	11.0
95.06030	0.9
95.08591	17.9
96.05323	0.4
97.02899	1.6
97.06510	11.8
97.10134	0.5
105.07014	4.4
107.04948	3.3
107.08574	36.0
108.08875	0.9
109.06483	6.6
109.07619	0.6
109.10141	16.0
110.03633	1.1
110.07238	1.5
110.10484	0.5
111.04427	10.3
111.08061	100.0
111.11727	1.3
112.07736	0.4
112.08347	2.5
117.06990	1.6
119.06047	0.9
119.08541	0.6
121.06475	0.8
123.04393	0.6
123.08050	0.7
125.05989	4.3
125.09609	55.5
126.05474	0.8
126.09945	2.4
129.97881	0.5
133.97690	0.4
135.04416	0.8
135.08017	7.8
135.11661	11.0
135.12642	0.8
136.07529	0.9
136.08551	0.7
138.06735	0.6
139.07520	6.7
139.08534	0.5
141.92714	0.4
148.97292	0.6
153.01843	0.6
153.05478	4.0
153.09081	20.7
153.11440	1.3
153.12701	16.2
154.04956	1.1
154.08569	1.1
154.09750	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0908
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.03939	4.9
55.01869	17.0
55.05506	62.2
56.05845	1.5
57.03419	3.6
57.07060	1.4
59.04982	2.5
63.74088	1.2
65.03928	9.9
67.05495	39.7
69.03418	7.1
69.04590	1.1
69.07059	45.7
70.06564	1.4
70.07392	1.7
70.94239	2.1
71.00886	3.3
71.01282	1.3
71.04988	6.6
73.06519	3.0
79.05486	41.5
81.03405	1.4
81.07047	35.0
83.04970	38.8
83.08621	10.3
84.05295	1.3
85.06519	1.8
91.05466	28.7
92.05873	1.3
93.03391	4.3
93.07032	73.7
94.07364	3.0
95.04956	100.0
95.08595	27.0
96.05247	2.6
96.05793	1.3
97.06519	27.0
105.04501	1.1
105.07008	10.8
107.04935	8.9
107.08581	89.5
108.08930	3.4
109.06504	11.3
109.10146	24.2
110.03638	2.1
110.07162	1.2
111.04430	13.9
111.08060	16.8
111.96863	1.0
112.08723	2.4
115.05443	5.1
117.07001	28.5
119.06075	1.9
119.08510	1.4
123.11697	2.4
125.05967	7.3
125.09625	5.7
126.05499	1.7
129.98070	1.2
135.04495	1.5
135.08037	45.1
135.09070	2.4
135.11671	15.0
136.08452	1.6
138.42587	1.0
143.90195	1.0
153.01897	2.1
153.05470	6.4
153.06477	1.1
153.09096	25.9
153.10262	1.4
153.11360	4.2
153.12698	32.8
154.04918	1.6
154.08609	3.6
154.09676	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0908
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
51.55084	0.2
53.03933	0.6
53.71035	0.2
55.01861	0.6
55.05499	6.2
55.68166	0.2
56.05015	0.2
56.05848	0.2
57.03418	1.0
57.07063	0.7
57.45325	0.1
63.01119	0.2
63.80175	0.2
65.03926	1.9
67.02995	0.2
67.05492	23.8
68.05018	0.3
68.05832	0.5
69.03407	0.7
69.07054	3.6
69.36122	2.0
70.06587	0.4
70.94250	0.4
71.04973	0.6
72.08117	0.2
73.06558	0.2
79.05020	0.4
79.05475	6.5
80.04977	0.2
80.05818	0.2
80.06255	0.3
81.03432	0.2
81.04527	0.2
81.07041	5.7
82.07339	0.2
83.04968	1.7
83.06092	0.2
83.08608	0.8
86.06004	0.2
87.04440	0.2
91.05460	6.8
93.03379	0.5
93.07029	14.3
94.07350	0.4
95.04952	1.8
95.08588	100.0
96.08919	2.9
97.02885	0.2
97.06511	2.7
97.10134	0.4
98.06040	0.2
99.05542	0.2
105.04500	0.2
105.07017	2.9
106.07355	0.2
107.04957	0.9
107.08571	20.6
108.08874	0.8
109.06496	2.4
109.07628	0.4
109.10126	3.5
110.03648	0.2
110.06077	0.2
110.07162	0.2
111.04427	2.0
111.08066	1.8
111.09177	0.2
112.08710	0.2
113.05869	0.4
115.05441	0.3
117.06995	0.8
119.06071	0.4
119.08556	2.8
120.09427	1.0
121.10091	0.2
122.10973	0.2
123.08040	0.7
123.11691	1.1
125.05968	1.1
125.09610	11.2
126.09135	0.3
126.10022	0.5
133.10110	0.3
135.04407	0.4
135.08023	6.6
135.09056	0.3
135.11665	7.9
136.07530	0.2
136.08513	0.4
136.12012	0.4
137.09579	0.2
138.06783	0.2
139.06256	0.3
148.97348	0.3
153.05463	1.1
153.07802	0.3
153.09082	5.7
153.10268	0.4
153.11327	0.8
153.12712	3.7
154.08575	3.8
154.09676	0.4
154.13011	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0544
Annotation	Isovanillin
Peak:m/z	Relative Intensity
51.02354	2.0
53.03937	5.0
55.01865	4.3
55.05499	2.6
56.65611	0.4
57.03436	0.6
65.03929	10.3
67.05495	17.1
68.99779	1.9
69.03419	1.4
69.07058	3.8
70.94248	0.9
71.01356	0.4
71.04948	0.6
77.03487	0.6
77.03918	6.4
79.05482	7.8
81.03405	1.3
81.07039	2.5
83.04966	4.2
83.08608	0.7
85.02898	2.4
91.05454	2.1
93.03389	3.3
93.07034	3.3
95.04952	22.2
95.08594	1.6
96.05270	0.4
97.06510	4.6
98.20672	0.9
105.03381	12.4
105.04461	2.1
105.06995	0.5
107.04931	6.7
107.08571	4.2
108.08071	0.5
109.06483	1.2
109.10141	1.9
110.03635	2.7
110.07211	0.4
111.04433	11.3
111.08067	2.3
111.96852	0.4
112.08722	0.6
117.07030	0.4
121.02868	0.8
121.06517	0.6
123.04411	100.0
124.04725	2.6
125.05973	28.8
125.09634	0.7
126.05476	0.6
126.06317	0.9
129.97867	0.5
135.04391	1.8
135.08040	1.7
135.08984	0.4
135.11668	1.4
136.07565	0.4
138.03105	1.3
139.03856	0.5
141.05438	3.2
151.03882	0.6
151.05014	6.2
153.05444	78.2
153.08945	2.7
153.11417	0.9
153.12724	2.4
154.05855	2.5
160.62537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0907
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.03928	3.7
54.03454	1.0
54.71942	0.9
55.01862	6.1
55.05503	29.8
56.05012	1.0
56.96542	3.4
57.03432	5.3
57.03666	0.9
57.07068	1.7
58.30928	0.7
59.04996	6.8
61.41800	0.8
65.03617	1.4
65.03930	17.2
67.05494	18.6
68.05020	2.1
68.99768	1.1
69.03423	15.9
69.04542	0.9
69.07055	25.8
70.06561	2.3
70.94248	4.8
70.95840	0.9
71.01345	0.9
71.04983	4.6
71.06090	1.0
71.70577	1.5
72.08134	2.1
73.02906	0.9
79.05478	28.1
80.05001	1.0
81.03397	2.1
81.04520	0.8
81.07041	26.5
82.06570	1.0
82.07386	1.0
83.04964	17.0
83.08604	6.1
85.02879	2.7
88.95225	0.9
91.05463	18.1
93.03394	6.2
93.07030	47.1
94.06559	1.4
94.07364	1.5
95.04951	66.5
95.06007	2.4
95.08592	30.7
96.05248	1.6
96.08954	0.9
97.02868	4.8
97.06513	20.4
98.97571	4.9
102.01471	0.9
105.03379	1.0
105.07004	6.6
107.04948	12.3
107.08575	63.8
108.05600	1.1
108.08211	1.0
108.08916	3.0
109.02868	1.2
109.06497	18.7
109.07256	1.0
109.07616	1.9
109.10130	15.3
110.03630	2.1
110.06071	0.9
110.07214	2.8
111.03210	1.0
111.04422	26.5
111.08062	100.0
111.96851	1.4
112.08624	4.2
113.05879	2.0
116.98611	3.3
117.06985	1.8
119.01809	0.9
119.06055	1.6
119.08585	0.9
121.02847	61.8
121.06470	0.9
122.03190	2.4
123.04408	3.1
123.08042	1.0
123.11703	1.2
124.99091	0.9
125.03400	0.9
125.05986	12.5
125.09609	53.4
126.05490	2.3
126.09138	1.0
126.10060	2.6
128.98578	1.4
129.97878	1.8
134.99619	1.8
135.04375	3.9
135.08026	15.4
135.11655	13.4
136.07558	2.1
136.08597	1.5
137.86386	0.9
138.03084	1.3
139.07487	1.0
143.00145	7.6
146.99666	1.3
148.97322	2.0
153.01811	1.1
153.05481	14.8
153.06674	1.4
153.07291	1.2
153.09085	29.1
153.11343	7.4
153.12723	20.4
154.04958	3.3
154.08604	4.7
154.09610	1.7
154.13116	1.1
158.99692	0.9
161.01180	5.9
164.17256	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0546
Annotation	(R)-Mandelate
Peak:m/z	Relative Intensity
51.02378	0.6
53.00296	0.4
53.03936	7.0
54.03473	0.4
55.01857	9.0
55.05503	4.1
56.02200	0.4
56.05027	1.6
56.05861	0.4
56.96556	27.8
57.03426	4.3
58.06610	0.5
59.04982	1.0
60.95855	0.7
61.02920	1.0
62.48088	0.4
64.87782	0.4
65.03933	14.6
67.01860	0.7
67.03014	0.6
67.05490	9.2
68.05021	1.4
68.96324	1.4
68.99782	1.3
69.03417	10.5
69.04539	0.8
69.07057	7.7
70.03763	0.6
70.06583	1.8
70.94247	1.9
71.01342	4.9
71.04980	1.6
71.70184	0.4
71.70553	0.9
71.94102	0.9
71.95258	2.1
72.08142	0.6
72.96027	0.6
73.02896	2.9
74.06067	0.6
74.97613	1.2
77.00873	0.7
77.03918	1.7
79.05482	96.4
80.05013	1.3
80.05800	2.7
81.03403	12.8
81.03883	1.0
81.04518	1.2
81.07044	9.5
82.01410	0.5
82.06553	0.8
83.01314	0.7
83.04965	14.4
83.06083	1.4
83.08610	0.6
84.01583	0.5
84.04494	0.6
84.05328	0.6
84.08123	0.7
84.96029	1.7
85.02892	3.8
85.04045	0.5
85.06507	0.8
85.96343	0.5
85.99181	0.4
86.06055	0.6
87.04459	0.4
88.02623	0.7
88.95321	0.6
88.99104	0.6
89.00816	0.5
89.01801	0.5
89.02538	0.4
90.01514	0.6
91.05463	8.2
93.03376	4.8
93.07027	5.9
94.06557	1.1
95.04951	27.2
95.06067	1.3
95.08585	3.8
96.01528	0.6
96.04502	0.6
96.05701	1.4
96.08112	0.7
97.00498	0.4
97.02866	4.8
97.06514	37.9
97.96804	0.5
97.99191	0.5
98.01264	1.1
98.02884	0.4
98.06868	0.9
98.97565	4.3
99.02065	0.5
99.04488	0.6
100.02444	3.0
101.00831	1.2
102.02258	0.5
102.96970	0.5
103.02368	0.8
103.05445	0.6
103.53677	0.9
104.01340	0.6
104.02518	0.5
104.54463	0.5
105.00360	0.5
105.02088	0.6
105.03435	0.5
105.04480	4.2
105.07005	2.3
105.53513	0.6
106.00977	0.7
107.00156	0.5
107.04936	100.0
107.08564	7.5
107.53550	0.6
108.03312	0.6
108.04530	1.0
108.05328	2.5
108.08120	1.3
109.02863	3.2
109.06493	6.8
109.07640	1.5
109.10132	1.9
109.53703	0.9
109.98943	0.7
110.01273	0.4
110.03611	4.2
110.06059	0.7
110.07906	0.5
110.89767	0.5
110.97559	1.1
111.02025	0.6
111.04428	30.5
111.08046	2.3
111.09184	1.0
111.96859	0.5
112.02634	0.6
112.04000	0.6
112.04744	0.8
112.07624	0.8
112.08685	0.7
112.54230	0.7
112.99067	0.5
113.00848	1.0
113.03410	0.5
113.05876	4.2
113.07122	0.7
115.02370	1.2
115.05466	0.7
115.52498	0.4
116.03075	0.6
116.98608	3.4
117.03872	0.5
117.06996	1.8
118.01044	0.8
118.03478	1.9
118.54178	1.0
119.01888	5.1
119.04909	1.5
119.06083	0.6
120.03271	0.6
121.01553	0.9
121.02955	0.8
121.06509	0.7
123.04414	2.7
123.08020	1.8
123.53459	0.5
124.05177	1.8
124.07591	0.8
125.05972	29.9
125.06889	1.0
125.09624	2.1
126.05467	1.3
126.06264	0.8
126.09171	0.7
127.03922	0.8
127.04987	0.4
128.02292	0.8
128.04530	0.9
128.98569	1.3
129.02013	0.5
129.04027	0.7
129.97910	0.8
130.01840	0.7
130.02785	0.5
130.96312	1.4
131.00154	1.3
131.01886	7.8
133.03508	0.6
134.06053	0.4
134.99657	2.3
135.04390	48.5
135.08029	5.4
135.09067	0.9
135.11659	1.3
136.01389	0.9
136.03328	0.9
136.04797	1.6
136.07536	3.3
136.08656	1.3
137.02930	1.0
137.05956	1.5
137.07091	0.6
137.10654	0.4
138.03122	0.5
138.06609	0.5
140.01146	0.5
140.83836	0.5
141.07309	0.4
141.54466	0.6
143.00052	0.6
143.01871	0.6
145.01712	0.7
145.03442	0.6
146.99672	2.3
147.05072	0.7
148.00317	0.8
148.01469	0.5
148.05177	0.7
148.97360	3.8
149.01022	2.7
149.02908	2.3
149.04790	0.7
149.06581	1.3
150.01808	0.5
153.00665	0.7
153.04044	5.0
153.05473	25.5
153.07735	1.4
153.09088	4.5
153.10193	1.8
153.11292	2.6
153.12619	1.0
154.02412	1.8
154.03496	1.4
154.04550	2.9
154.05943	0.8
154.08612	2.5
154.09711	1.6
157.03491	0.6
158.99614	1.1
161.01210	1.8
161.02921	1.0
161.06595	3.5
162.06749	0.8
163.02692	0.8
170.99667	0.5
172.02794	0.5
174.99097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0566
Annotation	guanine
Peak:m/z	Relative Intensity
50.22267	0.2
50.72727	0.2
52.51531	0.3
53.03928	0.8
55.01875	1.2
55.02983	0.5
55.05495	0.7
56.96560	9.2
57.03425	2.9
59.05001	0.2
59.88190	0.2
61.02917	0.7
65.03918	1.0
67.05482	1.1
68.05004	0.6
68.99770	0.2
69.03404	1.4
69.07053	0.6
69.44322	0.3
70.06592	0.6
71.01337	0.5
71.04961	0.3
71.13053	0.5
71.95241	0.3
73.02892	0.7
77.00820	0.4
79.05486	6.9
80.05779	0.3
81.03406	1.5
81.07027	1.3
82.01417	0.3
82.04076	0.6
83.04961	1.2
84.96007	0.8
85.02912	1.6
89.00801	0.5
91.02445	1.0
91.05460	1.1
93.03396	0.5
94.06519	0.4
95.04964	2.2
95.08577	0.4
96.04452	0.2
96.08097	0.5
96.08919	0.4
97.02869	1.6
97.06531	2.6
97.07629	0.3
98.01264	0.4
98.97580	1.8
99.97948	0.3
100.02464	1.4
101.00844	0.7
101.02546	0.6
102.02288	0.5
103.02401	1.3
103.53687	0.3
105.04519	0.4
105.07009	0.3
106.01791	0.5
106.06591	0.3
106.07337	0.9
107.03524	0.8
107.04942	7.2
107.08588	0.7
108.04483	0.4
108.08089	0.8
109.03498	0.6
109.05122	1.8
109.06490	0.8
109.07607	0.4
110.01250	0.5
110.03521	10.8
110.52732	0.3
110.97564	2.3
111.04435	1.8
114.04019	0.4
115.02359	2.7
116.98608	1.0
117.03979	0.6
118.01056	0.4
118.01874	0.3
118.03480	1.2
119.01871	2.8
119.04926	0.3
121.01670	0.3
121.03457	0.8
123.04396	0.5
123.07954	0.3
124.02824	0.4
124.03814	0.3
124.07579	0.8
125.05982	2.1
128.02339	0.3
128.04544	5.6
128.05417	0.5
128.98598	4.8
129.02019	1.1
129.03966	1.1
131.01883	0.7
133.03439	1.9
134.03694	0.4
134.04573	1.4
134.05989	2.8
134.06906	0.4
134.99640	0.5
135.03011	12.7
135.04379	3.6
136.01389	0.5
137.02933	0.8
138.02539	0.5
139.02635	0.2
140.05009	0.4
143.01892	0.3
145.03456	0.4
146.99632	4.6
147.01344	1.0
147.05054	2.3
152.05656	100.0
152.10593	1.3
153.04063	35.0
153.05423	1.9
153.06099	1.8
154.02448	1.0
154.04480	0.6
157.03386	0.3
158.99635	0.5
159.05045	0.5
161.01184	0.3
161.02994	0.5
161.06589	0.5
165.00722	0.7
165.06104	0.4
170.02989	0.6
170.06592	0.3
171.05089	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03931	0.7
53.34793	0.3
55.01854	1.3
55.05502	2.9
56.54630	0.3
57.03415	0.7
57.07056	0.9
59.04982	1.3
65.03916	1.0
67.05496	7.9
68.05812	0.4
69.03435	1.7
69.07069	2.1
69.38614	2.9
69.39021	0.5
71.04955	0.5
79.05478	5.8
80.05801	0.3
81.03406	1.3
81.07046	17.0
83.04971	0.7
91.05473	6.0
93.07033	6.1
93.07596	0.6
95.04960	4.8
95.08600	6.4
97.06525	1.5
98.21484	0.7
103.05446	0.6
105.07017	11.8
106.07231	0.4
107.04934	0.5
107.08579	6.6
107.98276	0.3
108.05722	6.1
109.06511	14.9
109.09398	0.6
109.10146	9.4
111.07915	0.8
119.06048	0.4
121.06480	1.2
121.10133	3.0
122.07285	0.6
123.04430	0.8
123.08050	6.0
123.11697	4.6
131.08513	0.8
133.06442	0.9
133.10120	5.3
136.08810	2.0
151.02792	0.5
151.03883	1.2
151.07660	3.2
151.11162	100.0
152.07039	0.6
152.11501	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	151.0751
Annotation	(S)-(+)-2-Phenylpropionic acid
Peak:m/z	Relative Intensity
53.03921	2.2
55.01855	1.1
55.05502	35.9
57.03411	0.7
57.07056	0.6
59.04961	0.8
64.90948	0.5
65.03922	1.9
66.04671	0.5
67.05136	0.8
67.05493	14.1
69.03402	1.8
69.07042	1.5
69.96574	1.7
69.97010	1.4
71.04967	0.9
79.05482	15.7
81.03404	41.0
81.07042	25.5
82.03703	0.8
83.04967	0.9
83.08591	0.5
90.60069	0.6
91.04926	0.7
91.05466	13.0
92.05770	0.8
93.07025	11.4
94.04171	17.5
95.04425	0.6
95.04962	8.4
95.08588	19.6
96.08134	0.6
97.06512	5.3
98.20861	0.8
103.05448	4.4
105.07012	32.7
106.07323	1.2
107.04936	7.6
107.08585	8.7
108.05731	2.6
109.06499	13.4
109.10134	7.8
110.07256	0.6
110.10477	0.5
111.07929	1.6
115.05383	0.6
118.04121	1.6
119.04907	2.1
121.10100	0.5
123.04411	0.9
123.08064	10.2
123.11688	5.6
133.06467	10.9
133.10092	5.1
136.05191	3.0
136.08818	0.5
150.38084	0.5
151.03891	1.7
151.07516	100.0
151.11136	9.0
152.07924	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	151.0752
Annotation	2-Phenylethyl formate
Peak:m/z	Relative Intensity
53.03939	2.2
55.01865	3.3
55.05503	5.9
57.03426	0.8
65.03934	2.4
67.05497	28.6
68.05038	0.9
68.05833	0.6
69.03428	1.9
71.16214	1.4
76.15350	0.6
77.03899	0.7
79.05025	0.9
79.05480	16.9
81.03411	4.9
81.07047	12.5
83.04970	0.8
91.05467	13.8
91.06039	0.9
93.07033	14.0
95.04958	12.9
95.08595	36.3
96.08910	1.2
97.02857	0.6
103.05460	3.5
105.07014	33.5
106.07320	0.6
107.04931	3.8
107.08564	2.7
108.05733	7.7
109.02909	0.7
109.06520	11.0
109.10118	0.7
111.04420	0.8
111.07925	1.2
119.04931	1.5
121.06519	2.0
123.04430	1.8
123.08051	100.0
124.07621	0.8
124.08395	3.0
133.06467	6.4
136.05167	1.7
151.02805	1.4
151.03902	1.8
151.07520	33.9
151.11136	1.4
152.07944	1.1
152.62248	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03925	0.6
53.48412	0.2
55.01868	1.2
55.05498	2.4
56.12274	0.2
56.96552	0.3
57.03416	0.8
57.07063	1.2
58.62173	0.2
59.04995	1.4
60.35048	0.2
65.03935	1.2
67.05498	8.0
68.05010	0.5
68.05800	0.2
68.71690	0.2
68.99782	0.3
69.03416	2.2
69.07060	1.9
69.35452	0.3
69.35859	2.0
71.04977	0.7
74.76437	0.2
77.80138	0.2
79.05485	5.2
81.03407	0.8
81.07049	16.8
82.07370	0.4
83.04968	0.3
91.05470	6.1
91.06037	0.4
92.05770	0.3
93.07037	5.9
94.04165	0.3
95.04393	0.4
95.04955	4.1
95.08597	5.6
96.05723	0.4
97.06512	1.5
97.92122	0.2
103.05468	0.4
105.04591	0.2
105.07019	12.4
106.07371	0.4
107.04915	0.9
107.08581	6.3
108.02105	0.4
108.04480	0.2
108.05696	0.6
109.06506	14.1
109.10142	9.7
109.70695	0.2
110.07230	0.3
110.10417	0.3
111.04440	0.2
111.07939	1.3
115.43152	0.2
118.07807	0.2
119.04850	0.2
119.06041	0.4
121.06485	0.9
121.10119	2.2
122.07259	0.3
123.04427	0.8
123.07153	0.3
123.08054	5.9
123.11688	4.2
124.03973	0.2
124.07584	0.3
124.08448	0.3
124.87452	0.2
131.08554	0.9
133.06470	1.6
133.10120	4.6
136.08829	2.4
150.30754	0.2
151.03888	2.9
151.05014	0.8
151.07689	2.7
151.11162	100.0
152.07007	0.7
152.11510	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	151.0753
Annotation	2-Phenylethyl formate
Peak:m/z	Relative Intensity
53.03936	2.5
55.01864	3.5
55.05505	7.0
56.05015	0.4
57.03432	1.1
65.03931	2.6
67.05497	29.7
68.05025	0.8
68.05808	0.5
69.03431	2.3
70.09812	2.3
76.25667	0.5
77.03923	0.7
79.05484	15.1
80.05821	0.6
80.06264	1.1
81.03417	5.3
81.07049	12.0
91.05473	12.6
92.05750	0.5
93.03383	0.9
93.07032	14.6
94.04198	0.5
95.04960	11.4
95.08593	35.1
96.08934	1.0
97.02883	1.1
97.07636	0.5
103.05457	4.3
105.04518	1.1
105.07020	32.6
106.07348	1.0
107.04947	3.1
107.08562	2.1
108.05733	6.4
109.02859	0.8
109.06512	10.9
109.07625	0.6
109.10137	0.9
110.07130	0.7
111.04486	0.4
111.07938	1.5
121.06510	2.0
122.07338	0.9
123.04493	2.4
123.08053	100.0
124.08363	3.0
133.02866	0.5
133.06462	6.9
133.10152	0.8
134.05927	0.4
136.05183	1.3
151.02913	0.8
151.03905	1.9
151.07527	32.0
151.11134	1.3
152.06934	0.7
152.07988	0.9
153.95451	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0752
Annotation	2-Phenylethyl formate
Peak:m/z	Relative Intensity
51.02382	0.4
51.17357	0.4
51.36526	0.4
53.03940	2.1
55.01871	2.3
55.05499	3.3
57.03424	3.5
57.07059	0.5
59.05005	0.4
59.36179	0.4
62.33063	0.4
65.03919	2.7
67.05495	16.2
68.05025	1.5
68.99786	0.5
69.03413	2.0
69.04543	0.5
69.07072	0.7
71.01352	0.6
71.04990	0.6
71.21449	1.0
74.19901	0.3
77.03910	0.5
79.05022	0.7
79.05485	14.2
80.05002	0.7
80.05817	0.5
80.06267	0.7
81.03413	2.0
81.07048	16.5
82.06569	0.7
82.07353	0.4
83.04956	0.9
83.06094	0.8
85.02882	1.0
91.05472	13.3
91.06042	0.7
93.03411	0.4
93.07034	9.0
93.07584	0.7
94.06544	0.6
95.04956	12.2
95.08595	17.2
96.04488	0.5
96.08106	1.1
97.07636	0.7
103.05466	2.9
105.03390	0.8
105.04526	0.6
105.07017	36.9
106.06562	0.4
106.07353	1.0
107.04951	2.7
107.08583	5.1
108.02100	0.5
108.05741	3.1
109.02872	1.2
109.06510	15.7
109.07661	1.3
109.08464	0.4
109.10139	3.6
110.07183	2.6
111.04425	1.3
111.07952	4.6
115.05434	0.4
115.28855	0.4
118.24932	0.4
119.04913	0.9
121.06473	1.5
121.10124	0.5
122.07272	0.7
123.04445	3.7
123.08052	100.0
123.11647	2.1
123.98093	0.4
124.03961	0.7
124.07606	0.6
124.08399	2.9
131.08551	0.4
132.82051	0.4
133.06479	13.0
133.10121	3.9
134.05975	0.4
134.06999	0.9
136.01576	0.3
136.05203	0.6
136.08713	0.4
141.05476	1.0
151.02802	1.3
151.03886	5.8
151.04961	0.9
151.07520	21.2
151.09763	2.2
151.11153	8.0
151.12276	0.3
152.01617	0.8
152.04488	0.4
152.05650	1.0
152.07010	1.7
152.08072	0.8
152.11765	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0752
Annotation	(S)-(+)-2-Phenylpropionic acid
Peak:m/z	Relative Intensity
53.03928	2.0
55.01863	7.7
55.05502	2.4
57.03421	1.2
59.21077	0.5
64.23385	0.4
65.03920	1.5
67.05497	13.2
69.03403	1.4
70.06541	0.5
71.14935	1.0
71.15280	0.4
73.84304	0.4
75.96230	0.5
79.05020	1.0
79.05479	19.4
81.03400	3.7
81.04533	0.5
81.07043	5.7
83.04976	0.8
91.05465	6.9
93.07027	6.9
94.04181	4.0
95.04958	7.8
95.08589	12.1
103.05456	10.3
105.07011	65.5
106.07337	1.8
107.04945	5.5
107.08559	0.7
109.02845	0.6
109.06495	3.2
115.05434	6.2
118.04120	1.5
119.04932	1.5
120.05717	2.5
120.96104	0.5
121.06510	3.9
123.04389	3.7
123.08055	10.0
131.04916	13.5
132.05235	0.7
133.06467	46.0
134.06810	1.8
151.07516	100.0
152.07919	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	149.1323
Annotation	Multifidene
Peak:m/z	Relative Intensity
51.02361	2.8
51.80512	1.9
53.03946	12.7
53.65257	1.6
55.01867	4.9
55.05508	11.2
57.07060	5.5
65.03936	53.2
65.04283	2.6
66.04244	2.3
67.05488	7.0
68.99777	1.8
69.03434	3.1
69.07058	24.9
71.65981	1.7
71.78306	1.8
72.88577	1.8
78.04681	3.7
79.05029	2.6
79.05487	33.4
81.07043	11.9
89.03900	4.0
91.05469	71.8
91.06039	3.4
92.05795	4.0
93.03387	12.2
93.07037	84.0
94.07371	3.0
95.04950	20.4
100.05848	1.8
103.05444	16.1
105.04482	2.8
105.07017	46.0
106.04134	4.8
107.04965	2.7
107.08585	100.0
108.08905	4.7
109.06493	11.5
111.04427	10.6
112.77643	2.0
119.06065	2.1
119.08569	11.5
121.02853	58.5
121.03958	12.1
121.06498	49.6
121.09254	3.8
121.10133	67.6
122.03221	4.4
122.06821	2.1
122.10435	3.3
123.08032	5.9
128.44806	1.9
131.04913	6.3
131.08553	4.9
133.10117	3.0
134.03613	4.9
134.10866	3.3
140.07855	2.3
149.02325	97.9
149.05963	23.0
149.09612	12.8
149.13249	24.0
150.02646	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	149.1322
Annotation	Multifidene
Peak:m/z	Relative Intensity
51.02369	1.3
52.21611	1.2
53.03936	12.5
55.01851	4.0
55.05484	4.1
57.07070	2.1
65.03930	62.9
66.04254	3.4
67.05477	3.7
69.03404	1.7
69.07065	7.0
69.75698	4.8
69.76111	2.5
76.52691	1.2
77.03907	2.2
78.04700	2.2
79.05482	20.7
81.03390	1.6
81.07044	7.6
88.64351	1.1
89.03893	4.6
91.05461	57.3
92.05768	4.0
93.03390	11.3
93.07026	52.2
94.07348	1.8
95.04960	19.5
95.08570	3.0
96.05256	1.1
98.03677	2.7
103.05444	13.6
105.04521	5.3
105.07009	35.2
105.07724	1.9
106.04150	2.4
107.04934	3.0
107.08575	40.2
109.06475	3.9
110.08372	1.4
111.04445	12.4
116.06209	2.1
116.32034	1.2
117.03381	1.4
119.05988	1.1
119.08540	11.2
121.02843	52.0
121.03957	13.1
121.05598	2.3
121.06484	58.4
121.10126	73.3
122.03172	3.6
122.06888	3.7
122.10453	2.8
123.08050	6.1
131.04904	7.2
131.08530	3.8
133.10103	2.3
134.03613	3.6
134.10878	1.9
149.02322	100.0
149.05946	26.3
149.06831	1.0
149.09578	14.8
149.10692	1.9
149.13232	13.2
150.02654	5.8
150.03709	1.3
150.06444	1.5
150.10065	1.7
150.13524	1.6
169.03439	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	149.0958
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.02369	1.2
53.03933	6.6
55.01844	2.6
55.05487	2.9
56.28730	1.0
65.03577	1.5
65.03928	25.9
66.04253	2.0
67.05494	1.3
69.50737	8.5
77.03896	1.4
79.05019	1.7
79.05479	26.9
80.05755	1.0
81.03461	1.1
81.07037	5.2
91.05466	42.0
91.06037	2.3
92.05788	1.2
93.03400	6.0
93.07031	50.8
94.07343	1.6
95.04948	11.5
100.78976	0.8
103.05458	9.6
105.04498	3.0
105.07011	36.2
105.07719	2.2
106.07862	4.5
107.04958	1.1
107.08569	3.8
109.06502	1.5
111.04409	6.3
115.05451	1.5
116.06203	3.0
119.08550	7.4
121.02839	29.9
121.03938	6.5
121.06486	20.7
121.07320	1.9
121.10126	26.4
122.03183	1.8
123.08048	4.2
131.04912	1.4
131.08516	2.0
133.07597	1.8
134.07187	1.4
149.02322	50.3
149.05962	7.3
149.09592	100.0
150.02667	3.8
150.09985	7.0
164.59473	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.2
53.03943	9.2
53.07745	1.1
55.01852	4.5
55.05497	4.5
57.07058	2.2
64.97204	1.0
65.03931	61.3
66.04269	1.3
66.67593	1.0
67.05486	1.7
69.03416	2.4
69.07053	6.6
69.75422	3.6
69.75851	4.4
77.03936	1.2
79.05483	18.1
81.04527	1.6
81.07031	4.5
89.03886	4.8
91.05465	43.5
92.05786	2.0
93.03384	11.9
93.07030	45.5
94.07366	2.3
95.04950	14.9
95.08569	2.2
98.03668	2.8
103.05462	9.3
105.04486	3.6
105.07008	35.9
106.04105	1.0
107.04928	2.8
107.08576	38.2
107.74301	1.1
109.06484	3.8
111.04423	11.5
116.06219	2.2
117.03293	1.5
119.04925	1.4
119.08553	9.2
120.05732	1.3
121.02845	61.3
121.03950	13.1
121.06489	42.8
121.07178	0.8
121.10121	67.5
122.03162	2.7
122.06761	2.4
122.10449	2.6
123.08060	6.6
124.01073	1.1
129.06917	1.2
131.04892	4.9
131.08540	2.6
133.07614	2.2
133.10089	2.2
134.03606	4.2
134.10884	2.6
139.81805	1.1
140.26740	1.2
149.02319	100.0
149.05952	23.1
149.09586	13.9
149.13251	10.5
150.02699	7.8
150.03728	1.6
150.06444	1.2
150.10078	1.2
169.03421	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0959
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.02363	1.3
53.03941	11.2
55.01849	5.4
55.05481	1.9
65.03930	46.5
65.21638	1.3
66.04242	2.5
67.05510	1.9
69.03420	3.8
69.07027	2.2
71.05972	2.8
74.80812	1.3
76.26804	1.4
77.03878	1.5
79.05481	34.0
80.05797	1.3
81.03416	1.3
81.07030	6.3
91.05463	54.7
92.05788	1.9
93.03387	9.0
93.07030	69.9
94.06564	1.4
94.07350	2.8
95.04948	18.4
98.03680	2.1
103.05454	14.0
105.04496	3.8
105.07016	36.4
106.07801	5.7
107.04916	2.5
107.08561	10.0
109.06499	2.8
110.08416	2.7
111.04417	8.3
116.06215	6.2
119.08593	6.4
121.02842	53.8
121.03961	11.5
121.06482	37.2
121.10129	26.6
122.03185	4.3
122.06863	2.2
123.08019	4.5
129.06984	1.4
131.04935	4.0
131.08534	5.1
133.07593	2.0
134.03574	2.6
134.07231	1.7
149.02327	87.8
149.05960	19.5
149.09595	100.0
149.13220	3.5
150.02660	6.0
150.09987	9.2
169.03445	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0959
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03938	11.8
55.01852	5.2
55.05495	3.2
65.03932	45.8
66.04254	2.4
66.07230	1.0
69.03404	3.8
69.15286	1.2
70.00579	2.8
70.00984	6.1
77.03896	2.4
79.05484	30.3
79.67430	1.0
81.03394	1.3
81.07024	3.1
83.04926	1.2
91.05466	78.2
92.05792	2.7
93.03389	11.6
93.07030	59.8
94.07366	2.5
95.04953	19.1
98.03634	2.1
103.05470	13.2
105.04492	3.5
105.07013	44.3
106.07791	3.6
107.04924	3.3
107.08580	9.1
109.06501	6.1
109.07641	1.4
110.08385	2.2
111.04428	8.4
115.05441	6.3
116.06223	16.5
119.08550	8.1
121.02846	44.2
121.03957	9.7
121.06488	38.0
121.10129	32.5
122.03180	1.3
122.06852	2.5
122.10476	2.9
123.08058	6.7
129.06985	5.3
129.52338	1.3
131.04884	3.7
131.08542	15.8
133.06516	2.7
133.07547	2.7
134.03589	1.7
134.07231	5.0
147.08008	2.8
149.02322	72.1
149.05963	16.1
149.09596	100.0
150.02655	6.5
150.06450	1.7
150.09985	7.6
167.03348	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0595
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02370	1.7
53.03945	10.4
55.01869	3.9
56.84208	0.7
58.24586	0.7
65.03934	2.9
71.36470	1.3
71.36797	0.8
77.03925	1.8
78.04706	2.1
79.05485	3.2
81.03404	1.6
91.05471	26.9
92.05792	1.4
92.15282	0.7
93.07033	15.8
95.04961	15.3
96.05355	0.7
103.05457	10.5
105.04511	2.8
106.04163	5.7
107.04993	0.9
121.02853	2.7
121.06492	100.0
122.06817	5.3
131.04924	3.1
132.60809	0.7
134.03593	4.8
140.01294	0.7
149.02306	4.8
149.05957	27.4
150.06297	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1166
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03936	1.3
55.05503	6.7
64.92791	0.8
65.03932	7.8
67.05478	1.5
69.07050	3.6
69.40623	0.8
69.96166	4.0
79.05482	5.6
79.06129	0.8
81.07041	1.2
84.04498	1.3
91.05468	100.0
92.05799	5.1
93.07040	3.9
95.04972	1.3
98.21342	1.2
103.05453	3.3
104.06190	1.1
105.07017	57.1
106.07337	2.8
107.04989	0.9
107.08566	3.0
115.57597	0.9
116.06242	0.9
117.06995	7.6
119.04929	57.5
119.08566	66.0
119.32153	0.8
120.05272	4.4
120.08897	3.6
123.96419	1.4
129.06964	1.3
131.08568	1.8
132.05666	0.9
132.09348	2.3
145.10121	4.3
147.04401	26.2
147.05537	1.0
147.08029	3.3
147.11674	29.5
148.04857	1.7
148.12010	2.2
152.30286	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.1
53.03939	10.0
55.01860	5.7
65.03924	7.0
70.75700	2.0
70.76050	0.9
77.03945	1.4
77.79791	0.7
78.04672	3.7
79.05490	4.7
81.03403	4.3
87.25868	0.8
91.05469	34.0
91.06045	1.7
91.44404	0.7
92.05807	1.3
93.03399	1.6
93.07033	17.7
95.04950	20.1
96.05285	1.0
103.05454	13.6
105.04507	4.3
106.04162	10.3
107.68913	0.8
113.90001	0.7
120.05735	0.9
121.02887	5.8
121.06488	100.0
122.06836	5.4
131.04915	4.8
134.03595	5.4
149.02335	9.8
149.05965	25.4
168.81961	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.4
65.03931	11.2
71.25532	0.8
74.33295	0.3
86.58930	0.4
90.59442	0.4
91.05465	100.0
92.05796	4.0
95.04922	0.4
95.99178	0.3
105.07027	2.3
105.07603	0.4
116.20007	0.3
117.06992	0.5
119.04922	85.4
119.08552	2.6
120.05248	5.1
147.04385	31.9
147.11679	1.1
148.04727	2.2
152.95920	0.4
161.95578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64572	0.4
54.29250	0.4
55.05495	0.7
60.57174	0.5
62.09464	0.4
65.03928	11.3
69.56158	3.4
69.56570	1.0
74.04330	0.4
87.49383	0.4
91.05463	100.0
92.05795	3.0
95.04933	0.5
98.21504	0.9
105.07017	4.7
116.96322	0.5
117.07011	0.9
119.04922	84.0
119.08549	5.5
119.26344	0.4
120.05249	4.3
122.07266	0.5
123.96452	0.5
145.10123	0.5
147.04382	30.9
147.11607	3.0
148.04745	1.7
168.47621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0598
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
55.43948	0.7
64.92794	1.3
65.03934	2.0
70.94706	2.4
72.04488	0.8
72.08134	1.7
82.06557	0.9
84.04463	1.3
86.06042	0.8
91.05464	48.0
95.04948	1.1
100.04778	1.5
102.82246	0.6
103.05466	0.9
105.07030	0.8
117.05746	7.3
118.06524	100.0
119.04927	7.8
119.06829	4.5
119.08571	1.7
123.96428	2.0
128.04945	20.6
146.05989	63.0
147.04407	11.2
147.06334	2.6
147.08066	0.9
147.11653	1.0
157.23631	0.8
160.97865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0923
Annotation	4-Guanidinobutanoate
Peak:m/z	Relative Intensity
55.05506	7.3
56.05021	2.3
56.96553	4.7
57.03428	2.6
58.06599	0.7
59.04999	1.5
60.05640	24.0
60.08147	3.0
61.02904	1.6
68.05022	1.4
69.03417	11.2
69.07061	1.1
71.04977	1.5
71.69046	1.5
72.08137	1.9
73.02919	1.3
73.06540	1.3
74.06067	1.3
81.03414	1.3
82.06557	1.6
83.03438	1.0
83.04986	3.3
83.06081	2.8
84.04498	13.2
84.08129	21.3
85.02885	3.3
86.03231	0.9
86.06055	78.1
87.04454	100.0
87.06407	1.6
88.04812	1.4
91.05476	6.9
96.01534	0.9
97.02866	3.8
98.09641	1.0
98.97556	3.4
99.04465	1.2
100.07604	3.8
101.05991	4.8
102.04271	1.0
104.01327	1.2
104.02126	0.9
104.07092	12.8
109.02856	0.9
111.02882	0.9
111.05543	10.8
116.98611	2.5
118.35869	0.8
119.01897	3.5
119.04910	3.9
120.01939	1.0
121.01685	2.0
121.03419	0.9
123.96420	1.2
127.15360	0.6
128.07184	1.1
128.08163	7.1
128.10696	1.3
129.03905	0.9
129.06595	1.6
130.05063	4.3
130.05865	0.8
130.08621	2.9
131.01881	1.8
133.03439	1.1
134.02293	1.1
145.03445	0.8
146.05966	1.0
146.09221	42.8
146.11714	4.9
146.12788	1.2
146.99654	0.9
147.04179	1.3
147.05016	3.7
147.09531	0.7
148.05138	0.8
149.01151	1.0
161.02924	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05500	0.6
60.69596	0.4
62.38186	0.5
63.02358	0.4
64.92771	0.8
65.03933	11.1
67.01683	0.4
67.92822	0.5
70.60629	1.0
70.61024	1.1
79.05463	0.8
91.05464	100.0
92.05801	3.5
93.07037	0.7
95.04948	0.8
98.20836	0.5
103.05436	0.6
105.07008	7.7
117.06970	1.1
118.04153	0.5
119.04922	78.4
119.08560	9.6
120.05261	4.5
123.96412	2.0
147.04387	29.3
147.05409	1.1
147.08000	0.8
147.11673	4.8
148.04713	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0437
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.14331	0.4
52.25330	0.3
55.05499	0.5
63.02351	0.3
64.06570	0.3
65.03928	12.1
66.04287	0.3
70.14530	1.4
70.14948	0.5
79.05481	0.4
91.05461	100.0
92.05803	4.0
95.04950	0.7
98.21422	0.4
101.64721	0.3
105.07014	3.2
117.06999	0.6
119.04919	87.5
119.08546	3.7
120.05252	4.3
122.74006	0.3
147.04382	31.8
147.11674	1.5
148.04752	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0598
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
55.05516	0.3
64.92796	0.3
65.03930	2.7
69.88004	1.7
71.14725	0.2
71.15164	0.2
73.49896	0.2
74.26824	0.2
91.05463	52.8
92.05791	0.8
103.05347	0.3
105.07005	1.9
106.07330	0.4
109.06522	0.4
109.30044	0.2
117.05735	4.9
117.06979	0.5
118.06519	100.0
119.04922	22.1
119.06828	4.8
119.08539	2.6
123.96417	0.3
129.70934	0.3
146.05981	9.6
146.10440	0.6
147.04385	11.0
147.08051	0.6
147.11662	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96374	0.6
53.03951	3.6
55.01862	1.6
57.03421	1.1
62.92970	2.5
63.02359	1.5
67.05480	1.7
69.03403	2.5
71.04979	6.5
79.05476	3.7
81.03400	2.4
85.02899	4.6
87.04498	1.0
89.03902	26.1
90.04216	1.1
91.05464	19.4
97.02877	2.2
99.04440	16.2
103.05463	4.1
105.07013	78.0
106.07336	2.5
115.05421	10.0
116.06213	3.0
117.03366	9.2
117.07001	28.0
118.06524	3.9
118.07362	1.9
121.96619	5.1
126.62411	1.0
127.03893	3.4
128.06206	6.9
129.06985	12.2
130.07768	46.9
131.08124	2.1
143.08527	11.4
145.05035	1.3
145.06471	4.6
145.10101	100.0
146.05965	2.6
146.10435	5.2
155.06023	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1017
Annotation	(E)-4-(Trimethylammonio)but-2-enoate
Peak:m/z	Relative Intensity
53.03932	0.3
55.01862	0.8
55.05500	1.1
55.48603	0.3
56.05018	0.5
56.30582	0.3
56.96553	0.9
57.03425	1.1
57.07051	0.4
57.19450	0.2
58.06590	8.9
58.06883	0.5
59.04972	0.3
59.27541	0.3
60.08141	0.6
61.02903	0.3
62.92039	0.3
67.05489	0.8
69.03428	1.9
69.43788	0.3
69.96550	0.8
69.96958	0.8
70.06580	7.5
71.04980	0.6
72.08125	1.2
73.02893	0.4
74.66007	0.3
77.00853	0.4
78.00967	0.4
81.03389	0.4
83.04964	0.4
84.04491	0.5
84.08131	24.1
85.02899	2.1
85.06528	1.7
85.08466	0.6
86.03689	0.3
86.06044	0.5
96.08080	0.4
97.02864	1.4
98.09678	100.0
98.97581	0.5
99.04440	1.8
99.09385	0.4
99.10014	3.4
100.02455	0.6
101.00865	0.6
102.00944	1.2
102.05521	1.4
102.09151	0.4
103.00609	1.2
103.02416	0.9
104.10682	0.3
104.83786	0.3
109.02840	0.3
116.98582	0.3
118.03515	0.5
119.01913	2.2
120.01980	5.3
121.01645	5.0
121.03472	0.7
128.07100	0.3
131.01898	0.3
138.03036	0.9
139.02713	1.0
143.01880	0.5
144.10176	72.3
145.01515	0.3
145.10521	3.4
155.34268	0.3
161.02917	0.9
162.03142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.3
56.96557	6.7
58.99838	2.0
61.55347	1.7
69.03424	2.0
70.29957	7.4
77.00916	2.3
83.06087	1.9
90.35522	1.6
94.27956	1.5
96.38007	1.6
100.02473	3.3
101.00858	20.6
118.03507	7.6
119.01909	100.0
120.01988	3.8
124.02468	2.0
127.59375	1.7
131.01874	2.1
136.04530	7.7
137.02943	38.3
138.67459	1.5
142.03482	22.7
142.09753	3.1
143.01866	1.7
143.03377	8.8
160.04558	9.5
161.02968	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	143.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
55.01863	1.3
55.05483	0.2
56.05025	0.5
56.96555	12.3
57.03426	1.7
58.99852	3.2
59.06099	0.3
60.08150	0.2
60.95837	1.6
61.02919	1.1
63.77849	0.2
67.05485	0.6
68.05005	0.2
68.99775	0.4
69.03423	2.1
70.06573	1.0
70.98092	0.7
70.99483	0.4
70.99828	2.7
71.01334	0.3
71.04984	0.2
71.95233	0.6
72.08131	0.6
73.02888	0.7
73.74985	0.2
74.00280	0.2
74.97589	0.4
75.01021	0.5
75.35034	0.2
77.00888	4.5
79.05483	0.3
81.03393	0.5
82.01420	0.3
82.06559	0.2
82.99818	1.0
83.00774	0.6
83.01269	0.4
83.06094	0.5
84.01552	0.6
84.04510	0.3
84.08125	0.9
84.96008	0.6
84.99234	0.4
85.02876	1.2
85.06519	0.3
86.06050	0.3
86.09704	0.2
86.51807	0.2
87.00803	0.3
87.02939	0.2
88.99138	0.7
89.00861	2.4
91.05449	0.6
92.01274	0.3
93.53493	0.2
95.01309	0.6
95.01922	1.8
97.02296	0.3
97.02868	2.0
97.99147	0.4
98.01279	0.9
98.06042	0.6
98.09679	2.2
98.97559	3.0
99.69695	0.2
100.01884	0.2
100.02444	1.2
101.00862	20.8
101.94997	0.7
102.00914	1.9
102.02206	0.3
102.96847	2.6
103.00594	0.3
103.02431	0.7
104.01254	0.8
105.00314	0.3
106.01023	0.2
106.02637	0.2
107.00160	0.3
107.01878	0.5
107.04926	0.2
110.03089	0.4
110.52531	0.2
110.97570	0.5
111.00831	0.3
115.02370	0.5
116.98602	2.1
117.01838	0.5
117.03934	0.2
117.53428	0.3
118.01020	0.3
118.03508	1.2
119.01898	100.0
119.96058	0.4
119.98247	0.2
120.00647	0.5
120.01987	10.3
120.03297	0.4
120.97879	2.6
121.01640	1.8
121.02387	0.4
121.03443	0.7
124.02457	0.7
124.95460	0.3
125.02357	1.9
125.07123	0.5
127.03990	0.2
128.06192	0.5
128.98586	0.7
129.01944	0.2
131.01884	0.6
133.03418	1.0
134.99641	0.8
136.04482	0.3
137.02936	29.2
137.97113	0.3
137.99266	0.3
138.03033	4.1
138.98911	1.9
139.02568	1.0
139.03593	0.2
142.03474	3.9
142.96498	0.9
143.01895	2.4
143.03394	15.2
143.08243	0.4
143.11763	0.4
144.03496	0.5
144.04778	0.4
144.06537	0.3
144.10182	0.7
146.99661	0.6
157.00113	0.3
158.99597	0.3
160.04543	1.2
160.97563	0.8
161.01529	0.4
161.02946	4.4
161.04567	0.8
162.04269	0.4
162.99159	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.1272
Annotation	2,3,4-Trimethyl-hex-3-enal
Peak:m/z	Relative Intensity
50.58032	0.8
55.01848	1.1
55.05508	8.7
56.05033	0.9
57.03435	2.2
57.07065	5.0
58.02962	0.9
58.06586	1.6
59.04988	4.5
59.06103	2.3
60.04524	1.7
64.24915	0.8
67.05499	12.9
68.05020	1.5
69.07055	3.6
71.04974	6.1
71.08598	0.9
71.49812	1.2
71.50131	1.3
71.66499	0.7
72.04501	1.4
79.05491	11.5
80.05009	6.5
81.03404	1.5
81.07047	100.0
82.07368	4.2
83.06100	1.5
83.08604	2.9
85.06548	2.7
95.01320	1.2
95.04964	3.1
95.08586	8.2
96.04493	1.7
96.08104	0.9
97.06542	1.9
97.10116	1.0
97.33279	0.8
98.05992	0.9
99.05570	1.5
99.08073	2.7
100.08739	1.1
101.07146	0.8
107.56949	0.9
108.04483	0.9
109.11586	0.8
112.08698	0.8
113.02369	3.6
114.03746	1.7
115.05444	2.2
123.04440	1.3
123.11694	14.2
124.07610	1.3
124.70303	0.9
129.65215	0.8
141.01788	3.2
141.05513	1.6
141.06967	8.0
141.12701	1.3
142.03197	2.3
142.07703	1.4
142.08699	1.6
142.09715	1.5
150.44460	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57821	2.1
57.28688	2.5
60.74566	2.5
61.21506	2.4
70.34944	9.5
101.00870	21.5
118.03492	8.2
119.01902	100.0
120.01997	3.0
128.16545	2.7
136.04532	7.5
137.02957	31.9
137.50011	3.1
142.03484	16.6
160.04520	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
56.96542	3.1
57.03422	1.6
58.99856	4.1
60.74668	0.6
68.05013	2.0
69.03416	1.6
70.06551	1.0
70.08104	3.3
70.99850	4.3
73.02905	1.0
77.00908	3.8
79.51907	0.9
81.04493	1.5
82.01431	0.8
85.02862	0.9
89.00880	1.8
95.01942	1.1
96.08130	1.5
97.02873	0.7
98.97557	2.9
100.02467	2.6
101.00867	25.3
103.02451	1.0
110.01291	0.9
116.98592	1.2
118.01149	0.9
118.03509	2.9
119.01903	100.0
120.02033	1.2
122.53635	1.1
124.02512	0.9
131.01833	1.3
131.54294	0.8
136.04547	1.3
137.02937	20.3
138.30972	0.6
142.03474	7.6
142.08614	1.3
143.01917	3.2
143.03386	3.3
151.59389	0.7
160.04526	2.5
161.02937	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	141.1272
Annotation	2,3,4-Trimethyl-hex-3-enal
Peak:m/z	Relative Intensity
53.03932	4.3
55.01858	3.3
55.05506	22.0
56.05014	5.1
57.03418	6.2
57.07076	11.5
58.02955	2.7
59.04980	2.2
59.06100	6.3
60.04506	3.1
65.03952	2.1
67.05494	50.3
68.05014	5.4
69.03420	1.8
69.07059	8.5
69.18447	1.5
69.55972	8.8
69.56395	7.9
69.83778	1.7
70.02956	2.0
70.06584	3.2
71.04984	69.9
71.06122	2.1
71.08622	14.2
72.02473	1.6
72.04509	4.0
72.08141	2.7
79.05487	12.0
79.20900	1.9
81.03396	7.0
81.04572	1.8
81.07045	100.0
82.06570	2.9
83.06092	7.4
83.08604	1.9
84.04478	6.0
85.02908	3.1
85.06544	10.0
85.07634	2.2
86.08479	1.8
95.04960	9.8
95.08590	12.8
96.04485	3.2
97.06510	5.2
97.07656	4.6
98.07171	5.6
98.21427	2.5
99.05547	5.8
99.08064	4.6
100.07661	2.2
100.08733	4.0
101.07154	2.3
102.74103	1.8
109.02860	3.6
111.00787	2.8
111.09232	2.5
112.08709	2.3
113.02354	17.5
115.05453	8.7
118.96739	3.9
123.04375	3.0
123.11707	8.5
124.03970	2.0
124.05846	2.9
124.07652	2.2
125.03478	2.0
141.01797	16.8
141.05443	4.9
141.06921	19.7
141.08000	2.2
141.08519	2.5
141.11356	5.0
141.12721	6.7
142.04948	2.6
142.07715	2.9
142.08733	2.0
142.09735	5.3
142.12225	2.4
147.00540	1.7
157.08063	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.1271
Annotation	2,3,4-Trimethyl-hex-3-enal
Peak:m/z	Relative Intensity
50.77523	0.9
53.03922	2.9
55.01874	1.9
55.05500	18.4
56.05017	3.6
56.96561	1.4
57.03419	3.0
57.07068	16.5
58.02937	1.3
58.06577	1.9
59.04993	1.3
59.06105	3.3
60.04499	2.9
61.43404	0.9
64.21985	1.0
65.03925	2.8
67.05495	49.2
68.05018	2.4
68.05821	1.5
69.03425	2.8
69.07042	6.9
70.06562	1.3
71.01341	1.9
71.04980	56.8
71.06062	1.5
71.08619	9.3
71.70253	1.7
71.73925	1.0
72.04492	1.7
72.05350	1.2
72.06831	0.9
79.05484	14.3
81.03400	2.8
81.07044	100.0
82.06606	1.4
82.07372	2.9
83.06116	5.4
83.08588	2.7
84.04484	3.0
84.05605	1.4
85.02850	1.4
85.06528	16.0
86.08429	1.5
95.01309	1.9
95.04980	4.8
95.08596	17.2
96.04473	2.2
96.08133	1.4
97.06530	4.9
97.07614	2.0
97.10139	1.3
98.07177	1.7
99.05560	4.3
99.06686	1.0
99.07438	1.5
99.08044	3.9
100.07624	1.3
100.08681	3.2
101.07124	3.0
109.02869	2.8
111.00764	1.2
112.08724	1.4
112.39999	1.2
113.02338	11.2
115.05424	4.6
118.96780	1.6
123.04394	3.3
123.08087	1.4
123.11658	5.2
125.09464	1.3
126.03139	1.2
141.01816	8.4
141.05432	3.7
141.06972	10.8
141.08502	1.3
141.12715	14.9
142.08681	2.2
142.09715	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	141.0544
Annotation	2,4,6-Trihydroxytoluene
Peak:m/z	Relative Intensity
53.03926	1.9
54.03462	2.2
54.69643	0.8
55.01869	2.5
55.05505	2.9
56.05026	4.5
56.64786	0.9
56.96557	1.6
57.03427	1.2
57.04544	1.0
57.07059	2.1
58.06579	1.9
59.06110	4.4
59.93093	1.4
60.04526	4.4
61.91393	0.8
63.25335	0.8
64.18407	1.0
65.03931	1.5
67.05495	10.0
68.05016	3.6
68.99780	23.2
69.03407	1.2
69.07068	1.2
70.06571	2.0
70.96062	3.2
71.04990	4.6
71.06083	2.1
72.06889	1.1
72.08144	1.1
75.05602	1.2
75.62536	1.0
79.05493	1.5
80.05024	1.1
81.03412	4.0
81.04514	2.4
81.07046	10.0
83.06084	5.9
84.04491	3.4
84.05610	1.5
85.02882	1.4
85.06532	2.1
85.07653	1.7
86.08437	1.8
93.07021	0.9
95.01313	1.8
95.04945	3.0
95.06089	3.1
95.08588	6.2
96.04478	2.2
96.08110	1.0
97.02866	3.1
97.06505	2.2
97.07632	2.4
98.03677	7.7
98.07196	2.1
99.04443	1.0
99.05568	2.6
100.08736	1.0
101.07131	2.3
109.02887	2.0
111.00787	100.0
112.01109	2.7
113.02357	9.5
113.05988	1.1
113.07115	1.5
116.98626	1.1
118.96741	1.7
123.04440	1.1
123.08123	1.4
124.05907	1.8
125.07104	1.7
126.03117	52.5
127.03434	2.0
141.01822	8.4
141.05455	50.5
141.06606	4.2
141.10197	1.3
141.11281	1.3
141.12770	1.3
142.04849	1.2
142.05820	1.8
142.08699	1.9
142.09749	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	141.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.3
55.01858	3.3
55.05506	22.0
56.05014	5.1
57.03418	6.2
57.07076	11.5
58.02955	2.7
59.04980	2.2
59.06100	6.3
60.04506	3.1
65.03952	2.1
67.05494	50.3
68.05014	5.4
69.03420	1.8
69.07059	8.5
69.18447	1.5
69.55972	8.8
69.56395	7.9
69.83778	1.7
70.02956	2.0
70.06584	3.2
71.04984	69.9
71.06122	2.1
71.08622	14.2
72.02473	1.6
72.04509	4.0
72.08141	2.7
79.05487	12.0
79.20900	1.9
81.03396	7.0
81.04572	1.8
81.07045	100.0
82.06570	2.9
83.06092	7.4
83.08604	1.9
84.04478	6.0
85.02908	3.1
85.06544	10.0
85.07634	2.2
86.08479	1.8
95.04960	9.8
95.08590	12.8
96.04485	3.2
97.06510	5.2
97.07656	4.6
98.07171	5.6
98.21427	2.5
99.05547	5.8
99.08064	4.6
100.07661	2.2
100.08733	4.0
101.07154	2.3
102.74103	1.8
109.02860	3.6
111.00787	2.8
111.09232	2.5
112.08709	2.3
113.02354	17.5
115.05453	8.7
118.96739	3.9
123.04375	3.0
123.11707	8.5
124.03970	2.0
124.05846	2.9
124.07652	2.2
125.03478	2.0
141.01797	16.8
141.05443	4.9
141.06921	19.7
141.08000	2.2
141.08519	2.5
141.11356	5.0
141.12721	6.7
142.04948	2.6
142.07715	2.9
142.08733	2.0
142.09735	5.3
142.12225	2.4
147.00540	1.7
157.08063	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0544
Annotation	2,4,6-Trihydroxytoluene
Peak:m/z	Relative Intensity
53.03941	1.4
54.03455	1.4
55.01850	2.1
55.05500	2.2
56.05031	5.4
57.07053	2.3
57.96618	0.8
58.06585	1.6
59.06123	4.8
59.41629	1.0
60.04507	3.3
67.01858	1.5
67.05491	4.9
68.05015	2.7
68.99783	19.3
69.07038	1.0
69.44053	0.8
70.04209	1.0
70.06597	1.7
70.94859	1.9
70.95177	0.9
71.04983	4.2
71.06093	1.6
71.08570	0.8
72.04478	1.3
74.06049	1.3
79.05464	1.1
81.03397	1.8
81.04507	1.1
81.07065	5.6
82.06567	1.4
83.06092	5.1
84.04485	3.2
84.05606	1.9
85.02878	2.4
85.06544	1.7
85.07689	1.1
86.08420	1.1
95.01330	1.9
95.04948	2.4
95.06081	2.3
95.08592	4.4
96.05642	0.8
96.08142	1.4
97.02889	1.8
97.06509	1.2
97.07626	1.8
98.03663	7.4
98.07174	1.4
99.04451	1.4
99.05557	2.4
100.08692	2.0
101.07131	1.8
102.86282	0.8
109.02876	4.0
111.00789	100.0
112.01114	2.3
113.02351	6.4
113.05983	1.3
118.96727	1.1
123.04414	1.5
124.04005	0.9
126.03119	54.6
127.03432	1.1
141.01813	7.2
141.05450	48.5
141.06592	3.1
141.08505	1.3
141.11324	1.3
142.05809	1.9
142.09659	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	139.1115
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03926	14.2
54.03444	13.7
55.01852	9.9
55.05506	32.6
56.05017	16.6
56.96542	16.4
57.03410	11.8
57.07057	15.2
59.04989	22.7
59.06107	7.9
65.03926	40.4
67.05497	30.3
69.03408	45.8
69.07059	40.3
70.06567	15.1
71.06102	12.0
71.70142	8.9
78.36067	4.3
79.05486	39.1
81.04525	10.8
81.07043	28.5
82.02915	8.2
83.04972	41.2
83.06103	8.1
84.04490	6.2
91.05458	28.4
93.03373	12.3
93.07034	100.0
94.06528	8.8
95.04962	29.1
95.06079	14.1
95.08591	62.4
96.05640	9.7
97.02866	8.1
97.06510	70.5
97.07599	6.8
98.07192	40.9
98.97588	33.4
98.98450	29.4
99.05570	12.6
103.05448	5.6
103.31133	4.4
105.06999	21.9
110.07251	4.6
111.04430	52.5
111.08060	24.5
112.07631	5.3
113.07103	7.5
116.97220	9.4
116.98608	38.9
121.02795	21.8
121.06500	9.6
121.10130	83.3
122.06212	3.9
122.07109	27.7
123.05544	35.4
123.08007	4.6
134.99658	25.9
139.03873	15.4
139.07529	14.9
139.09782	13.6
139.11148	88.1
140.03392	9.9
140.07112	9.9
140.08162	34.1
140.11522	5.4
141.06624	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	140.0017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03465	0.9
56.05021	2.4
56.96556	50.6
59.06091	0.9
59.80417	0.6
67.05497	1.6
68.05022	0.9
69.03408	1.1
71.06074	0.9
71.68599	1.2
71.95246	4.9
72.80304	0.6
79.05473	1.5
81.03412	0.9
81.04544	1.0
81.07030	1.5
83.06083	1.3
84.96016	1.2
91.05443	2.2
95.01307	2.5
95.04948	1.4
95.06068	1.5
96.05621	0.8
98.07163	0.9
98.97565	100.0
99.05575	1.2
99.97903	1.1
100.06313	0.9
101.02564	0.8
109.02323	1.2
113.07066	1.0
115.02284	0.9
116.98599	93.4
122.06003	0.8
122.07179	0.9
123.05537	2.0
124.02825	0.7
129.01913	0.6
134.99632	54.2
140.00195	3.1
140.03409	1.8
140.07166	0.9
140.08142	3.5
153.00676	6.7
153.91995	0.6
158.01187	2.5
159.98248	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1115
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03944	2.2
54.03457	2.3
55.01864	2.8
55.05500	7.4
55.46661	0.7
56.05025	5.2
56.96554	4.1
57.03431	2.5
57.07069	5.0
58.06581	0.8
59.05009	3.7
59.06121	1.4
63.70512	0.7
65.03934	4.4
67.05494	4.2
68.05025	1.0
69.03420	100.0
69.07059	6.8
70.03637	2.9
70.06582	1.5
71.06107	3.2
71.95239	0.7
79.05488	7.8
80.35159	0.7
81.04536	2.4
81.07056	4.4
82.06576	1.1
83.01328	0.9
83.04504	1.2
83.04969	15.4
83.06091	3.0
84.04495	1.6
91.05467	4.7
93.03376	1.0
93.07029	14.2
94.06549	0.8
95.04951	7.7
95.06075	2.0
95.08604	10.4
95.45892	0.7
96.05615	2.6
97.02859	2.0
97.06516	16.8
97.07534	0.7
98.06112	0.8
98.07198	6.0
98.21450	0.9
98.97564	7.4
98.98456	4.3
99.05561	2.5
103.05454	1.5
105.07013	7.9
109.10103	1.3
110.07249	0.9
111.04415	5.6
111.08058	3.0
112.08718	2.1
113.07103	1.3
116.97193	1.2
116.98611	7.7
119.08537	2.0
121.02834	3.3
121.06509	1.2
121.10126	19.2
122.07144	4.0
123.05540	6.6
123.08022	2.2
125.02323	2.1
134.99635	6.2
139.03908	1.2
139.07484	2.8
139.09818	3.5
139.11163	41.4
140.07126	1.6
140.08154	8.5
140.11501	2.2
141.06612	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1115
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03927	2.4
54.03453	3.2
55.01857	3.5
55.05498	11.1
56.03759	2.0
56.05036	7.0
56.96553	5.3
57.03419	3.2
57.04530	1.9
57.07059	4.1
57.93542	1.6
59.04996	5.5
59.06107	3.4
65.03675	1.1
65.03938	12.3
67.02951	1.6
67.05502	6.7
68.05013	1.9
68.99763	1.1
69.03419	100.0
69.07061	7.0
69.68494	2.1
69.68909	6.5
70.03745	1.8
70.06569	2.7
71.06098	3.2
79.05476	9.7
81.04534	2.4
81.07040	7.4
82.02927	2.0
82.05323	1.3
83.04961	18.9
83.06082	3.8
86.06821	1.3
91.05480	7.0
93.03390	5.0
93.07028	21.1
94.06543	2.1
95.04952	8.9
95.06065	3.8
95.08595	12.2
96.05605	3.6
97.02882	3.2
97.06516	22.8
97.07616	2.1
98.07176	12.7
98.97557	8.3
98.98448	7.4
99.05548	3.9
105.07013	9.0
110.07291	1.6
111.04425	24.4
111.08044	6.2
112.03960	2.0
112.08727	1.2
113.07120	2.1
116.97203	1.8
116.98586	9.7
119.08585	1.2
121.02834	3.5
121.06506	2.6
121.10127	24.0
122.06030	1.3
122.07132	6.7
123.05537	9.4
123.08053	2.1
125.02326	1.9
134.99628	7.1
139.03877	5.6
139.06566	1.5
139.07539	5.2
139.09790	4.5
139.11157	52.7
140.03421	1.9
140.08162	12.8
140.11522	3.6
141.06567	2.5
150.91220	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1116
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03941	16.8
54.03453	16.5
55.01856	11.2
55.05504	25.9
55.78094	2.8
56.03769	4.9
56.05027	55.1
56.96304	3.7
56.96558	38.2
57.03411	8.5
57.04550	6.4
57.93549	7.4
58.06583	10.5
59.04980	4.4
59.06105	12.1
61.61572	2.6
65.03928	28.1
67.02974	4.4
67.05499	30.3
68.05019	7.9
69.03423	36.4
69.04534	8.7
69.07063	21.1
70.06565	13.8
71.04968	7.9
71.06091	12.0
71.69826	4.1
71.95229	4.5
72.04513	5.5
79.05478	38.1
80.04991	4.2
81.04536	22.8
81.07050	26.0
82.02910	6.0
82.05319	3.7
82.06583	6.0
83.04990	22.3
83.06094	30.2
84.04487	10.3
85.07640	3.0
85.97747	3.2
87.37625	2.6
89.85478	2.4
91.05463	24.6
93.03396	10.6
93.07033	100.0
94.06548	9.5
95.04971	25.6
95.06085	23.2
95.08595	80.4
96.04473	8.0
96.05617	33.3
96.06871	3.5
97.02874	5.2
97.04012	3.2
97.06472	30.4
97.07633	9.4
98.06066	2.9
98.07164	46.7
98.08488	3.0
98.97567	61.5
98.98447	24.7
99.05569	22.7
100.06344	3.5
105.04513	3.2
105.07037	14.7
109.10118	5.1
110.08345	3.1
111.04425	39.4
111.05578	4.2
111.08038	7.0
112.03982	4.6
112.07588	3.2
112.08708	13.0
113.07120	14.4
116.97318	15.2
116.98602	86.0
119.08584	3.5
121.02867	24.7
121.03716	3.6
121.06464	4.9
121.10133	36.7
122.06174	4.1
122.07122	26.1
123.05535	40.1
123.08016	3.7
123.09135	4.6
125.02402	4.9
134.99644	64.7
139.03862	9.4
139.04929	4.0
139.07494	9.4
139.08636	6.1
139.09744	22.7
139.11151	39.9
139.12178	3.6
140.03389	7.4
140.07059	7.4
140.08145	54.5
140.11613	4.1
141.06563	7.4
153.00673	10.7
158.01169	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	139.1115
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03935	12.4
54.03447	15.5
55.01854	18.1
55.05504	40.3
56.03754	7.2
56.05022	28.5
56.96550	24.9
57.03416	20.7
57.04544	12.3
57.07053	20.6
57.93543	8.3
58.02941	8.6
59.04976	18.7
59.06106	10.5
65.03930	43.6
66.78728	5.3
67.05502	25.1
67.53587	4.9
69.03416	67.7
69.04546	6.1
69.07059	35.7
70.06575	15.8
71.01331	5.0
71.06086	19.0
71.06882	5.5
71.69762	5.1
73.70377	4.0
79.05479	33.8
79.36027	4.5
81.04504	22.2
81.07031	28.4
82.02915	12.8
82.06585	6.5
83.01314	5.8
83.04967	42.3
83.06075	23.5
84.04470	7.3
91.05457	26.9
91.08044	4.4
93.03387	8.9
93.07031	100.0
94.06567	11.9
95.04959	44.9
95.06068	18.1
95.08598	51.0
96.05594	24.3
96.08828	6.6
97.02890	7.6
97.06521	79.1
97.07626	11.3
98.07173	69.0
98.20615	6.0
98.97578	39.5
98.98450	40.2
99.05574	22.9
105.07026	26.8
110.07229	6.2
111.04430	67.7
111.08047	25.6
112.03942	7.5
112.07536	6.0
112.08724	9.1
113.07104	8.1
116.97216	9.2
116.98601	51.8
119.08619	5.3
121.02840	28.3
121.03920	6.6
121.06507	8.0
121.10136	66.5
122.06293	6.4
122.07143	49.1
123.05519	51.1
125.02319	8.1
134.99619	47.2
139.03944	22.6
139.04874	6.5
139.07553	27.1
139.08644	8.4
139.09770	22.9
139.11142	93.4
139.12201	3.6
140.03380	10.7
140.04366	6.2
140.07082	10.5
140.08148	50.6
140.09206	6.7
140.11485	8.0
141.06546	12.9
143.03174	4.7
153.00642	7.1
158.01193	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	139.1116
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03930	4.9
54.03477	8.1
55.01852	6.1
55.03001	1.8
55.05504	18.7
56.03757	1.6
56.05022	17.3
56.96560	10.6
57.03421	2.9
57.04531	3.7
57.07047	4.7
57.93545	2.3
58.02934	2.7
58.06581	3.2
59.04975	4.7
59.06099	5.7
65.03929	13.8
67.02980	2.7
67.05499	8.8
68.05001	6.8
69.03419	100.0
69.04523	2.9
69.07051	11.5
70.03734	1.8
70.06579	5.1
70.66650	4.8
71.04962	3.0
71.06087	6.0
71.95244	1.8
72.04484	2.4
74.77793	2.0
79.05484	16.5
80.05013	2.7
81.04520	6.8
81.07046	12.0
82.02912	2.3
82.06553	2.4
83.04972	20.1
83.06087	12.1
84.04485	4.4
91.05466	11.0
91.88950	1.4
93.03396	4.8
93.06509	2.3
93.07039	34.2
94.06538	3.8
94.07311	2.0
95.04969	13.9
95.06078	8.4
95.08587	19.6
96.04481	1.7
96.05628	10.1
97.02868	3.5
97.06512	24.7
97.07622	3.6
98.06051	1.8
98.07166	22.4
98.97564	16.1
98.98454	15.8
99.05589	10.2
105.07043	7.9
109.06443	2.0
111.04424	27.1
111.08073	7.8
112.03951	2.5
112.07575	2.0
112.08678	4.7
113.07119	4.9
115.14174	1.7
116.97201	4.2
116.98616	19.0
119.08566	2.6
121.02868	5.8
121.03969	1.7
121.06482	4.7
121.10120	16.6
122.06070	3.0
122.07129	13.4
123.05531	24.6
123.08032	2.2
123.09150	1.5
124.05167	2.1
125.02318	3.0
134.99640	14.4
139.03882	7.8
139.04941	2.6
139.07552	11.0
139.08795	2.1
139.09782	10.1
139.11153	43.1
139.12209	1.5
140.03386	4.6
140.07022	3.6
140.08147	26.2
140.11552	3.1
141.06544	4.6
146.42647	1.6
153.00725	3.3
158.01233	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0547
Annotation	N-Methylnicotinate
Peak:m/z	Relative Intensity
51.02377	0.4
52.01892	0.3
53.03931	0.8
54.03451	0.6
55.01854	0.5
55.05503	2.1
56.03744	0.5
56.05023	1.1
56.96548	0.3
57.31918	0.3
58.06583	0.4
59.05003	0.3
65.03927	2.5
67.05488	2.6
68.05019	1.7
68.05816	0.7
69.03414	2.4
69.04544	1.7
69.07061	0.8
69.49849	2.2
69.50263	0.5
70.02931	0.9
70.06555	0.7
72.04493	1.1
77.65589	0.2
77.77814	0.3
78.03447	2.7
79.04212	2.1
79.05478	1.1
80.05008	1.7
80.05800	0.4
81.03409	0.4
81.04510	1.2
81.05773	0.3
81.07032	1.1
82.02930	0.5
82.04857	0.3
82.06565	2.0
82.07374	1.1
82.19463	0.2
83.04977	1.6
83.06095	2.3
85.02898	0.4
88.00476	0.3
91.05451	1.0
92.04972	0.8
92.05788	0.5
93.03383	0.5
93.04520	0.8
93.05800	0.4
93.07040	2.7
94.02914	0.3
94.06546	2.0
94.07320	0.3
95.04980	2.6
95.06060	1.4
95.07327	0.5
95.08598	2.0
96.04475	26.3
96.06846	0.7
96.08150	0.3
96.08922	1.3
97.02902	0.4
97.04032	0.7
97.04803	0.8
97.06508	1.7
97.07630	2.2
98.04768	1.8
98.07148	0.9
98.98444	2.1
106.02891	0.4
108.04466	5.3
108.05184	0.5
109.05273	0.6
109.07594	0.4
110.06023	2.8
110.07137	0.6
110.09706	0.5
110.10437	0.4
111.03207	1.3
111.04430	3.6
111.05556	3.3
111.08086	0.4
111.09161	0.8
112.03954	0.3
112.08749	0.6
120.04452	0.8
120.05554	1.1
120.08054	0.3
121.02875	1.6
121.03983	0.7
121.06511	0.4
121.07617	1.3
121.10108	0.7
122.07087	0.5
123.03952	1.3
123.06754	0.7
123.07637	0.3
124.03933	4.6
138.01826	1.4
138.05476	100.0
138.06380	4.5
138.09148	1.8
138.10114	2.8
139.03862	0.8
139.05846	4.1
139.07492	1.1
139.08696	0.4
139.09709	1.9
139.11221	1.4
154.04977	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
50.01583	0.9
52.95410	0.8
53.03945	5.0
53.52807	0.7
55.01865	1.6
55.05511	5.0
57.07053	2.0
65.03939	4.4
66.04705	6.4
67.05492	39.3
68.05049	0.7
69.03407	2.4
69.04548	0.9
69.07049	3.4
71.29093	1.7
71.29466	1.0
79.05478	12.8
81.03394	2.3
81.04505	1.2
81.07040	27.3
83.46025	0.9
88.77184	0.8
91.05464	28.3
92.05786	1.4
93.07027	9.6
94.04173	38.3
94.07819	1.1
94.95497	1.0
95.04982	8.3
95.06118	1.1
95.08591	23.7
96.05630	1.0
97.06377	3.0
103.05428	1.9
107.04933	25.5
107.08530	2.1
109.06492	5.2
109.10139	35.7
110.06032	1.6
110.07146	3.4
110.10489	1.6
117.07005	2.7
119.04905	3.4
119.08566	15.8
121.06487	8.3
122.03634	46.3
122.07269	100.0
123.03931	1.6
123.06805	1.1
123.07601	4.4
135.08028	3.8
137.02498	4.0
137.05957	70.9
137.09592	87.3
138.01807	1.3
138.05412	3.0
138.06325	4.2
138.09012	1.3
138.09952	4.1
154.77611	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1323
Annotation	alpha-Terpinene
Peak:m/z	Relative Intensity
51.02393	0.7
53.03926	2.9
54.03447	1.8
55.01863	1.3
55.05507	6.7
56.03766	0.9
57.07063	7.9
60.32455	0.8
61.88845	0.7
65.03924	3.7
66.04692	3.4
67.05494	38.7
68.05002	1.6
69.03413	1.4
69.04533	2.1
69.07058	7.7
72.04496	1.2
79.05476	16.0
81.03425	2.0
81.04530	4.2
81.07044	76.3
82.06565	1.9
82.07358	3.7
91.04923	1.4
91.05468	19.0
93.07036	8.4
93.24491	0.8
94.04176	25.4
94.06566	1.6
95.04455	0.8
95.04962	4.4
95.08591	100.0
96.04478	1.0
96.05617	1.8
96.08928	4.6
97.06375	3.7
107.04924	5.3
107.08576	1.4
108.09363	0.8
109.06495	5.6
109.10143	12.8
110.06002	2.1
110.07168	4.8
110.07803	0.8
110.10503	0.8
111.05544	1.9
116.20626	0.7
119.04904	3.4
119.08624	3.7
120.04425	1.6
121.06475	1.8
122.03632	27.1
122.07254	17.7
123.03960	0.9
123.07606	1.7
135.07967	1.0
137.02382	3.7
137.05960	43.1
137.06973	1.5
137.08221	2.6
137.09604	16.8
137.10645	1.5
137.13229	8.1
138.01707	1.0
138.05467	3.5
138.06427	3.3
138.09117	1.7
138.10057	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1323
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03926	3.4
54.03445	0.9
55.01868	1.2
55.05507	8.4
56.05038	1.7
57.07069	8.8
65.03932	4.4
65.10823	0.8
66.04693	1.6
67.05494	48.5
68.05015	1.0
68.05814	1.5
69.03416	1.6
69.04516	1.3
69.06718	1.1
69.07053	7.4
69.58829	8.0
79.05486	16.1
81.03380	1.7
81.04506	3.3
81.07044	82.1
82.06594	1.0
82.07371	2.7
83.06085	1.0
91.04930	1.5
91.05470	25.8
92.05751	1.0
93.07029	11.7
94.04179	13.3
94.06557	1.1
95.04971	6.3
95.08593	100.0
96.04460	1.6
96.05627	1.4
96.08932	5.4
97.06387	4.2
97.07690	1.5
98.04778	1.6
104.06243	0.8
107.04922	3.8
107.08578	1.8
108.05708	1.0
109.06493	7.3
109.09509	1.1
109.10152	12.1
110.06020	1.6
110.07145	4.0
111.05523	1.8
114.90155	0.9
117.06937	0.9
119.04938	5.5
119.05714	1.0
119.08544	3.2
120.04393	1.0
121.06479	2.2
121.07575	0.9
122.03626	16.4
122.07274	19.2
123.07598	1.3
137.02454	4.4
137.03362	0.9
137.05949	31.0
137.08130	1.5
137.09602	24.1
137.10641	1.9
137.13234	7.4
138.01706	1.0
138.05449	5.1
138.06522	4.3
138.09125	1.8
138.10152	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.4
54.03458	1.8
55.01851	4.1
55.05510	11.0
57.07064	7.4
64.66839	1.4
65.03950	6.4
66.04701	4.8
67.05496	80.3
68.05016	1.9
68.05831	2.1
69.03409	4.3
69.04515	1.8
69.07066	10.4
69.90732	9.0
72.04481	2.1
73.92042	1.3
77.03883	2.1
78.00015	1.2
79.05487	21.4
80.05788	1.4
81.03385	4.0
81.04519	4.6
81.07046	77.4
82.07380	2.1
88.92527	1.3
91.05466	44.1
93.07032	17.3
94.04174	39.6
95.04961	18.2
95.06036	2.0
95.08593	89.2
96.04489	2.1
96.08929	2.5
97.06402	7.9
104.06214	2.1
105.04450	1.8
107.04947	24.4
107.08569	7.9
108.05241	1.4
109.06506	12.5
109.07618	1.5
109.09396	3.2
109.10137	53.0
110.06030	1.7
110.07131	6.0
110.10466	3.2
111.05553	3.1
114.39230	1.4
117.06993	3.0
119.04961	3.2
119.08564	26.8
120.04463	1.9
121.06490	8.0
121.07580	1.6
122.03631	48.1
122.07272	98.9
123.03952	2.7
123.07611	3.9
135.08080	3.3
137.02409	6.2
137.05959	75.7
137.08224	4.5
137.09598	100.0
137.13194	6.5
137.32616	1.4
138.01755	1.7
138.05453	6.5
138.06444	5.1
138.09094	2.6
138.10013	3.4
141.23260	1.6
150.19209	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02370	1.2
53.03940	6.1
55.01850	3.3
55.05505	10.0
56.05014	1.1
57.07064	1.8
63.27433	1.0
65.03938	6.1
66.04696	4.8
67.05495	75.8
68.05827	1.5
69.03400	4.3
69.04516	1.2
69.07056	8.8
69.82465	1.1
70.14299	5.2
77.13881	1.0
79.05478	13.8
81.03391	4.6
81.04509	2.6
81.07043	40.8
91.05464	33.8
92.05823	2.5
93.07027	14.7
94.04171	32.1
94.07839	1.5
95.04420	1.2
95.04964	19.5
95.08591	36.8
96.04474	1.4
96.05649	1.6
96.08945	1.2
97.06387	6.6
97.07623	1.3
98.04744	1.4
103.05453	2.2
105.04441	1.3
105.07030	1.1
107.04223	2.1
107.04935	28.0
107.08590	9.2
109.06504	12.4
109.10136	59.5
110.06025	1.3
110.07176	5.5
110.10418	2.2
111.05546	2.6
117.06994	1.8
119.04922	2.2
119.08553	22.7
120.04434	1.1
121.06499	8.4
122.03625	32.9
122.07267	88.2
123.07594	4.0
135.08026	4.0
137.02397	4.7
137.05956	56.1
137.09590	100.0
137.13223	2.0
138.04539	1.2
138.05457	5.2
138.06439	3.2
138.09036	2.1
138.10001	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	137.096
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.02355	0.7
51.61010	0.4
52.17081	0.5
53.03936	2.3
55.01861	0.8
55.05510	3.3
55.68991	0.4
57.07070	1.1
57.54323	0.4
65.03922	2.6
66.04717	5.5
67.05495	31.7
68.05818	0.9
69.03414	1.9
69.07071	2.9
71.22249	0.9
71.55563	0.4
77.03909	1.1
78.04689	0.6
79.05482	8.7
81.03415	0.7
81.04510	0.6
81.07043	21.9
91.05466	17.9
92.05806	0.7
93.07034	4.5
94.04172	31.4
94.07817	1.9
94.80164	0.4
95.04974	4.3
95.08595	21.0
96.08904	0.5
97.06383	1.4
97.07666	0.4
98.69289	0.4
103.05457	1.4
104.06232	0.9
105.04530	0.6
105.38965	0.4
107.04939	26.3
107.08569	1.7
107.74799	0.4
108.05258	0.9
109.06497	1.9
109.10143	32.8
110.07166	1.0
110.10492	1.2
115.05424	0.4
117.06992	2.5
119.04970	0.8
119.08565	16.4
121.06490	9.0
122.03632	43.0
122.07270	100.0
123.03951	1.7
123.07602	4.2
135.08037	4.3
137.05963	60.4
137.09595	80.0
137.13222	1.3
138.01743	0.4
138.05388	0.6
138.06302	3.7
138.09013	0.5
138.09949	5.4
139.07574	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03932	3.5
54.03448	1.2
55.01859	1.9
55.05497	6.4
57.07063	7.6
57.79390	0.7
61.63620	0.7
65.03926	3.7
65.50259	0.7
66.04713	7.9
67.05489	34.0
69.04543	1.1
69.07059	7.0
70.96864	2.0
71.08617	0.9
71.24281	0.7
77.03898	1.3
79.05479	15.7
81.03375	1.0
81.04546	1.0
81.07040	73.6
82.07388	2.6
83.06094	0.9
89.02726	0.8
91.05454	12.8
93.07014	7.8
94.04169	55.7
94.07350	0.9
95.04446	1.2
95.04968	5.1
95.08588	94.7
96.05607	1.1
96.08923	2.9
97.06369	3.2
105.03419	0.9
107.04938	3.3
107.08600	1.3
108.09338	1.0
108.33176	0.7
109.06506	4.4
109.10137	9.0
110.07147	2.8
119.04943	1.8
119.06020	0.8
119.08553	1.0
121.06482	2.0
122.03623	66.7
122.07256	5.8
123.03968	2.4
135.04446	1.2
137.02397	3.2
137.05952	100.0
137.08182	2.4
137.09558	8.0
137.13228	7.5
138.05502	1.4
138.06313	3.5
138.10031	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0958
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03925	5.2
54.03438	1.1
55.01850	1.7
55.05499	5.7
57.07066	1.6
65.03918	4.4
66.04705	3.8
67.05491	46.6
68.05025	2.0
68.05825	1.3
69.03420	2.1
69.04530	2.9
69.07047	4.1
71.15041	3.1
79.05474	16.3
81.03386	3.1
81.04500	7.4
81.07040	30.7
81.68809	1.0
82.06557	2.0
83.06102	1.5
91.04921	1.9
91.05462	27.1
92.05782	1.9
93.07026	8.9
94.04170	29.8
94.07829	1.9
95.04482	1.3
95.04966	11.3
95.08000	1.8
95.08585	25.1
95.09195	1.4
96.04494	1.9
96.05607	4.2
97.06386	8.0
97.07665	2.3
98.04718	1.1
104.06229	1.8
105.04572	1.0
107.04239	1.6
107.04937	25.4
107.08570	3.6
108.04460	1.0
109.06487	8.2
109.10139	39.0
110.06014	2.6
110.07172	6.6
110.10459	2.6
111.05546	3.4
117.07006	1.6
119.04925	3.5
119.08555	15.4
120.04427	2.0
120.05556	2.0
121.06473	10.3
122.03625	37.7
122.07266	100.0
123.03960	1.6
123.07604	3.5
135.08037	3.3
137.02481	5.8
137.05949	59.3
137.08217	4.2
137.09592	92.6
137.13199	1.8
138.05463	8.6
138.06447	3.9
138.09024	2.3
138.09972	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03931	2.3
55.01864	1.2
55.05493	1.9
55.96949	0.7
65.03943	4.0
66.04713	9.1
67.05495	16.8
69.03426	1.4
69.07036	1.2
70.09209	0.7
75.86040	0.8
77.03922	1.4
79.05484	8.3
81.03412	1.2
81.07047	10.2
91.04923	1.1
91.05473	16.4
93.07027	3.9
94.04175	56.4
95.04459	2.0
95.04966	3.0
95.08601	7.8
105.04452	0.9
107.04942	14.7
108.05314	0.8
109.06514	2.9
109.10136	17.3
110.10427	1.0
117.07021	0.9
119.04932	1.5
119.08556	8.7
121.06456	4.7
122.03633	76.1
122.07272	45.5
123.03964	3.4
123.07626	1.1
131.98164	0.7
135.04443	1.2
135.08037	1.9
137.05962	100.0
137.09589	44.2
138.06306	4.9
138.09969	1.6
148.24907	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	Toluate
Peak:m/z	Relative Intensity
53.03931	0.6
54.03456	0.4
55.01871	0.8
55.05498	0.8
57.07059	0.6
59.09908	0.4
65.03927	7.5
66.04706	0.9
67.05496	5.6
68.05012	0.5
69.03417	0.3
69.04533	0.6
69.07043	0.9
70.68284	0.4
70.68621	1.3
79.05482	3.9
79.63443	0.3
81.03423	0.9
81.04530	1.5
81.07040	8.6
82.06586	0.5
83.53932	0.3
91.05464	100.0
92.05798	4.6
93.07028	2.1
94.04173	6.8
94.06570	0.4
95.04953	1.4
95.06084	0.6
95.08590	6.7
96.04494	0.5
96.05625	0.7
97.06377	1.8
98.04784	0.6
107.04939	1.1
109.06499	4.6
109.10162	2.3
110.06018	0.8
110.07197	1.7
111.05578	0.8
119.04924	29.6
119.08543	0.7
120.05259	1.9
122.03625	7.9
122.07257	3.1
124.92602	0.3
137.02428	1.3
137.05957	33.5
137.08170	1.1
137.09576	4.4
137.13203	0.5
138.01732	0.4
138.05420	1.1
138.06403	2.4
138.09065	0.6
138.10141	0.7
159.56108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	Toluate
Peak:m/z	Relative Intensity
51.02382	0.4
53.03933	0.9
55.01867	0.6
55.05505	0.6
57.07068	0.7
58.38691	0.3
60.37963	0.3
64.44621	0.3
65.03930	8.6
66.04703	1.5
67.05492	4.6
69.07049	0.8
70.78030	0.8
79.05481	3.9
81.03407	0.9
81.07045	8.1
88.82499	0.3
91.05468	100.0
92.05800	4.0
93.07034	1.6
94.04176	9.8
94.06548	0.3
95.04974	1.9
95.08595	6.9
96.05638	0.4
97.06379	1.2
100.27232	0.3
107.04922	0.9
107.08611	0.3
109.06505	4.4
109.10155	1.7
110.05994	0.6
110.07114	1.0
119.04928	29.2
119.08553	0.7
120.04456	0.4
120.05260	1.8
122.03631	11.5
122.07250	1.3
123.03944	0.4
123.06861	0.5
137.02397	1.4
137.05959	40.6
137.09576	2.4
137.13199	0.6
138.05431	1.0
138.06348	2.7
138.09123	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02377	0.4
53.03938	1.8
55.01862	1.5
55.05510	0.6
57.07070	0.5
65.03922	2.5
66.04710	8.2
67.05500	4.5
67.11830	0.4
69.03440	0.8
70.76947	0.6
70.77323	1.0
77.03909	0.8
79.05486	5.9
81.03407	1.0
81.07040	8.1
81.07483	0.7
91.05478	8.6
92.05795	0.5
93.07047	1.6
94.04178	54.9
95.04482	1.1
95.04990	3.4
95.08603	6.2
96.04485	0.6
105.03378	0.8
107.04937	2.7
109.06485	2.6
109.10149	1.5
110.06023	1.0
110.09696	0.4
119.04927	1.6
119.08556	0.6
120.04451	1.4
121.02845	0.7
122.03633	65.0
122.07280	0.9
123.04002	2.5
135.04410	0.8
137.02507	4.7
137.05960	100.0
137.09557	2.7
137.13309	0.7
138.01762	1.1
138.05325	2.5
138.06383	4.9
138.09113	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02373	0.7
53.03938	1.1
55.01866	0.8
61.19254	0.3
65.03933	2.2
66.04711	9.7
67.05487	0.7
69.03407	0.3
70.23051	1.5
77.03925	1.0
79.05480	5.9
81.07050	3.0
90.64331	0.3
91.05457	4.7
91.05976	0.5
92.05825	0.3
94.04173	63.5
95.04420	1.5
95.05045	1.7
95.08570	0.5
98.21313	0.4
105.03378	1.1
105.04504	0.4
107.04961	2.1
109.06498	1.3
119.04939	0.4
122.03629	77.9
123.03954	3.4
125.86592	0.3
135.04381	0.8
137.05954	100.0
138.05434	0.4
138.06323	5.5
156.00682	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0755
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
53.03925	3.4
54.03448	2.3
55.01863	1.5
55.05490	3.1
57.07057	2.4
58.02952	61.6
59.03294	1.1
65.03928	4.7
66.04706	2.6
67.02957	1.0
67.05494	18.1
68.05020	9.1
69.03420	4.0
69.07043	2.3
71.24497	1.0
71.24852	1.8
76.03995	5.7
77.03912	1.2
79.05480	16.4
80.04995	3.2
80.05804	2.0
81.03393	1.9
81.04524	3.8
81.07045	24.8
82.06543	1.1
90.04223	1.0
91.05466	64.8
92.05777	4.1
92.06271	1.9
93.05755	2.3
93.07029	9.3
94.04165	20.0
94.06538	1.0
94.07351	2.5
95.04958	10.0
95.06077	5.8
95.07999	1.7
95.08588	29.0
95.55466	0.9
96.06857	7.5
97.06374	5.3
103.93047	0.8
104.04964	1.7
104.06255	3.0
105.04504	1.1
106.07340	1.4
107.04977	4.8
107.08612	2.0
108.08105	2.5
108.08912	5.0
109.01087	8.4
109.06503	7.6
109.07616	9.9
109.10147	9.7
110.07167	5.0
117.05757	3.9
118.06527	40.8
119.03536	1.9
119.04981	4.5
119.07309	100.0
119.08616	3.1
120.07629	5.2
121.06478	1.8
122.03632	30.2
122.07272	15.6
136.02141	63.4
136.03854	1.6
136.04805	4.5
136.06175	11.4
136.07555	53.3
136.08624	11.9
137.02441	5.9
137.05952	45.3
137.08046	3.9
137.09595	21.2
137.13222	2.2
138.30972	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0616
Annotation	Adenine
Peak:m/z	Relative Intensity
53.03933	1.2
54.03455	1.1
55.05492	1.1
56.05018	0.5
57.07055	0.5
64.07116	0.4
65.03936	0.9
65.74199	0.4
66.04726	0.6
67.02982	0.9
67.05496	4.2
68.05016	2.9
69.03416	1.1
69.04540	0.6
69.07027	0.4
70.06645	1.8
79.05476	2.4
80.04988	1.3
80.05807	1.2
81.03416	0.8
81.04544	3.0
81.07045	5.8
82.04019	0.4
82.06593	0.9
91.05468	6.4
92.02467	0.8
92.05795	1.2
93.05774	0.7
93.07029	2.9
94.04093	6.9
94.06578	0.7
94.07375	1.7
95.01302	0.5
95.04972	2.6
95.06079	2.7
95.08590	6.0
96.06870	3.5
97.06378	2.0
106.06519	0.5
106.07301	0.7
107.04951	0.9
107.08618	0.4
108.04480	0.7
108.08114	1.2
108.08917	2.5
109.01096	2.3
109.05129	0.7
109.06493	1.5
109.07619	4.4
109.10126	1.6
110.07158	1.4
112.05086	0.4
115.78780	0.4
118.06487	0.6
119.02694	0.6
119.03542	11.6
119.04892	0.8
119.06039	0.6
119.08568	0.6
122.03651	4.3
122.07296	1.0
136.02151	27.4
136.06172	100.0
136.07489	4.4
136.08643	4.1
136.12036	0.9
137.02412	1.8
137.03535	0.8
137.04570	7.4
137.05965	9.9
137.08194	1.5
137.09618	2.9
137.13237	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Adenine
Peak:m/z	Relative Intensity
53.03927	0.6
54.12407	0.1
55.01852	0.7
55.05503	0.3
56.96559	3.5
57.03429	1.0
58.06589	0.4
58.99846	0.4
59.04992	0.2
61.02927	0.3
65.03915	0.2
67.02971	0.6
67.05482	0.5
69.03420	0.9
70.90960	0.5
71.02086	0.1
71.04981	0.2
73.02876	0.2
77.00866	0.4
78.52961	0.8
79.05487	1.4
80.05790	0.2
81.03391	0.8
81.04523	0.2
81.07034	1.5
82.01431	0.5
82.04034	0.3
83.00805	0.2
83.03458	0.3
83.04961	0.3
84.01545	0.2
84.96071	0.1
85.02869	0.4
87.53456	0.2
89.00848	0.2
89.38553	0.2
91.02421	0.2
91.05468	8.6
92.01266	0.2
92.02483	0.8
92.05782	0.2
93.01876	0.2
93.05787	0.2
93.07035	0.3
94.04044	3.9
95.01341	0.2
95.01942	0.2
95.03400	0.3
95.04958	0.7
95.06078	0.3
95.08578	0.2
96.06859	0.4
97.02868	1.0
97.06358	0.2
98.97530	0.2
100.02466	2.2
101.00871	0.4
101.02520	0.3
102.02248	0.4
103.02399	0.3
105.54794	0.1
106.00959	0.2
107.04958	0.7
108.03320	0.2
108.05273	0.6
108.08093	0.5
109.02875	0.3
109.05093	0.6
109.06506	0.8
109.07615	0.4
109.76805	0.2
110.03520	0.3
110.07169	0.2
112.05075	0.6
113.00854	0.7
114.04096	0.3
115.02383	0.4
116.98563	0.2
117.03977	1.8
118.03510	1.3
118.06545	0.3
119.01939	1.8
119.03538	10.9
119.04826	1.8
120.03209	0.2
120.03918	0.2
121.01627	0.3
128.98608	0.2
131.01883	8.7
132.02016	0.5
132.05045	0.5
133.03465	0.5
134.00383	0.2
135.05022	2.1
136.02156	2.5
136.06165	100.0
137.04573	10.5
137.05794	1.0
137.06535	2.0
137.10735	0.4
142.03416	0.2
145.03447	0.5
147.01355	0.2
147.05157	0.2
149.02934	2.2
154.03485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01865	1.9
55.05494	0.5
56.96549	4.7
57.03422	3.8
58.99854	4.1
61.02907	0.7
61.31319	0.3
65.03914	0.8
67.05489	1.0
67.14719	0.4
69.03410	1.5
71.70139	0.8
72.06705	0.4
73.02896	0.8
77.00898	2.8
78.52940	1.5
78.65079	0.4
78.71119	0.4
78.72626	0.4
79.05469	2.1
80.04977	0.5
80.05811	0.5
80.73049	0.5
81.03411	1.0
81.07057	2.4
82.01427	1.6
83.00771	0.4
83.04971	0.5
85.01370	0.7
85.02882	0.9
86.99283	0.6
88.02660	0.4
89.00854	0.4
91.02421	0.5
91.05464	11.7
92.05784	0.5
92.83890	0.4
94.04053	3.6
94.99827	0.7
95.01323	1.4
95.01878	0.6
95.04945	1.3
95.08533	0.4
98.97565	0.9
100.01026	0.5
100.02467	9.5
101.00854	2.1
101.02572	1.2
102.02235	1.2
103.02419	2.0
105.00369	0.4
107.04932	1.4
108.04469	0.4
108.05248	0.6
108.08112	0.9
109.01097	0.6
109.02879	0.5
109.05122	0.5
109.06493	1.6
109.07623	0.6
112.07549	0.5
113.00852	10.1
114.04005	1.4
115.02406	0.9
118.03497	8.1
118.06535	0.5
119.01911	7.6
119.03546	9.2
119.04857	2.3
120.01986	1.1
120.03255	1.2
121.01612	1.1
121.03448	1.3
121.59294	0.3
122.03647	1.5
131.01888	100.0
132.01974	5.4
132.05081	2.0
133.02426	0.6
133.03438	1.6
133.05093	0.5
134.02287	0.8
134.03615	0.5
135.05035	0.6
136.02141	8.7
136.06166	70.8
136.07489	3.0
137.03032	2.1
137.04568	8.5
137.05956	3.3
137.10696	2.5
141.05093	0.5
142.03485	1.7
143.01898	0.7
144.03209	0.4
144.99837	0.6
145.03455	1.0
147.01372	0.9
149.02940	29.5
150.02997	1.8
154.03464	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	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03939	6.7
53.26478	1.1
55.05503	14.2
65.03921	3.0
67.05505	5.9
69.07050	4.7
70.96162	3.2
77.03915	1.8
78.03082	1.1
78.04712	1.0
79.05487	27.2
80.05814	1.6
81.07046	6.1
89.03910	5.6
91.05472	44.7
92.05804	1.9
93.07032	70.0
94.07358	3.0
94.07868	1.3
95.04960	9.9
103.79122	1.0
105.04522	2.3
105.07024	19.4
107.04931	2.7
107.08582	100.0
108.08920	6.8
109.06489	7.8
117.03379	2.0
117.07022	1.9
119.06039	2.2
119.08588	7.7
120.09330	2.8
133.51033	1.0
135.04431	2.8
135.08044	1.8
135.11688	21.6
136.02171	4.2
136.11984	2.0
146.42390	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02391	0.6
53.03938	6.9
54.03463	0.6
55.01863	4.7
55.05506	8.7
62.41648	0.5
65.03931	5.9
67.05495	8.3
68.05030	2.5
69.03406	1.0
69.07053	3.9
70.68543	1.9
75.05591	0.6
77.03917	1.1
79.05482	74.3
80.05027	1.0
80.05811	3.5
81.03444	0.6
81.07044	7.9
81.07481	0.7
82.07357	0.6
85.82845	0.5
87.05614	0.5
89.03902	10.5
91.05470	65.5
92.05772	3.1
92.06313	1.1
93.07031	57.0
94.06540	1.4
94.07314	2.6
95.04959	12.1
95.05518	1.0
95.06099	2.1
95.08624	1.0
96.05313	0.7
96.06854	2.9
103.05479	0.8
105.03399	1.0
105.04497	2.7
105.07014	26.0
106.07323	1.2
106.35225	0.6
107.04944	7.1
107.08578	100.0
108.05265	0.7
108.08179	0.8
108.08895	5.5
109.01101	1.9
109.06507	11.3
109.07621	3.2
110.06814	0.7
115.05431	5.1
115.92990	0.5
117.03336	2.4
117.06993	5.6
118.06548	0.9
119.06065	4.4
119.08572	8.2
120.09433	2.7
133.10117	0.8
134.07106	0.6
135.04405	14.4
135.08040	23.2
135.10629	0.8
135.11671	22.4
136.02144	24.5
136.05025	0.9
136.06177	4.0
136.07549	2.9
136.08627	5.0
136.12016	1.9
137.09563	0.6
151.82979	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.43467	0.8
53.03939	8.2
55.01855	3.1
55.05505	12.1
57.07054	1.3
61.48615	0.9
65.03918	3.9
67.05492	6.4
68.05023	2.2
69.03407	1.6
69.07058	5.6
79.05025	2.2
79.05480	36.5
80.05793	1.2
81.07043	7.5
88.29564	0.8
89.03891	7.4
91.05470	60.4
92.05791	2.0
93.07031	63.9
94.07345	3.9
94.07837	2.2
95.04955	12.8
95.06074	1.8
96.06862	3.2
98.21476	1.8
101.58293	0.8
103.05423	1.1
105.04484	2.2
105.07015	25.3
106.07321	0.9
107.04957	6.2
107.08578	100.0
108.08189	2.0
108.08916	6.2
109.01116	1.5
109.06513	9.0
109.07614	3.8
113.59953	0.9
115.05442	3.7
117.03387	2.2
117.07020	4.5
119.06049	3.9
119.08548	11.9
120.09325	3.8
135.04385	6.2
135.08046	13.5
135.11674	24.2
136.02150	25.4
136.03874	1.5
136.05156	1.0
136.06155	3.8
136.07552	5.4
136.08650	3.4
136.11981	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02372	1.3
53.00305	0.9
53.03938	8.8
55.01841	2.5
55.05501	9.8
57.07057	1.4
65.03914	4.8
67.05492	10.1
68.05026	4.4
69.03424	1.5
69.07047	3.4
70.85715	2.0
70.86052	1.0
71.48650	0.9
77.03911	1.9
79.05021	2.0
79.05481	41.1
80.05010	0.9
80.05814	2.6
81.07043	8.6
81.19406	0.8
89.03901	14.7
89.22520	0.9
90.04242	1.5
91.05465	67.7
92.05796	4.3
92.06278	1.2
93.07027	67.6
94.07364	3.3
95.04953	15.6
95.06069	2.1
95.65479	0.8
96.06837	3.8
103.05438	2.6
105.04482	3.1
105.07008	27.4
105.07719	1.6
106.07285	1.4
107.04930	11.6
107.08575	100.0
108.08171	1.6
108.08910	6.4
109.01076	2.2
109.06511	12.8
109.07629	3.9
115.05422	3.1
117.03355	4.6
117.07014	6.0
118.06548	1.3
119.06044	4.3
119.08553	20.5
120.09415	5.0
124.21330	1.0
125.56973	0.8
133.10136	1.5
135.04398	16.1
135.08015	11.6
135.11668	41.4
136.02138	40.0
136.03857	2.1
136.05128	1.1
136.06151	7.2
136.07542	8.1
136.08624	3.3
136.12015	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	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02363	0.9
53.03938	7.2
54.03458	0.9
55.01859	2.5
55.05501	12.6
57.07070	0.9
65.03931	5.5
67.05491	7.2
68.05016	2.7
69.03425	0.9
69.07047	4.7
77.03913	1.3
78.04704	1.0
79.05482	36.2
80.04988	1.9
80.05807	1.6
81.03399	0.8
81.07050	6.0
89.03909	7.6
91.05466	62.9
92.05798	2.2
93.07029	66.6
94.04033	0.8
94.06538	0.8
94.07359	2.5
95.04955	12.7
95.06070	3.0
95.86550	0.7
96.06841	3.9
103.05427	1.5
104.06207	0.8
105.04497	2.6
105.07011	25.0
106.07294	1.6
107.04944	8.3
107.08575	100.0
108.08169	1.2
108.08913	6.2
109.01079	2.6
109.06503	11.0
109.07602	5.8
115.05457	5.8
117.03333	2.5
117.06998	5.6
118.97360	0.8
119.06070	4.6
119.08552	12.8
120.09407	3.8
120.22300	0.8
133.10106	1.4
135.04396	10.9
135.05396	1.4
135.06555	1.4
135.08032	16.2
135.09059	1.6
135.11667	24.1
136.02142	29.3
136.03886	2.1
136.04994	1.4
136.06149	4.9
136.07530	6.1
136.08620	5.2
136.12007	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0439
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
53.03931	7.9
55.01843	1.3
55.05497	4.5
56.33417	1.1
58.91390	0.9
63.02351	6.0
65.03921	2.8
67.05488	6.6
69.03402	1.0
69.07043	2.2
70.73931	2.6
70.74337	2.0
77.03898	1.3
79.05479	39.8
81.07038	4.6
84.08064	0.9
89.03901	100.0
90.04230	3.2
91.04918	2.0
91.05461	27.5
93.07028	32.0
95.04397	1.4
95.04949	16.2
96.06831	1.4
105.04498	3.5
105.07014	11.4
106.07291	1.2
107.04929	21.3
107.08575	30.9
108.04476	0.9
108.05193	1.5
108.08891	1.3
109.01083	2.6
109.06499	2.9
115.05412	2.5
117.03355	30.5
117.07006	2.8
118.03745	1.3
119.06020	1.2
119.08550	9.0
120.09389	2.1
125.64666	1.0
135.04395	59.4
135.08023	9.3
135.08997	1.7
135.11667	14.9
136.02138	30.7
136.04953	1.9
136.06168	4.5
136.07542	4.1
136.08597	2.2
137.09634	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0803
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03939	5.2
53.92343	0.9
55.01867	12.9
55.05497	2.8
61.69373	0.9
65.03926	9.5
67.05489	8.7
69.03416	12.1
69.07048	1.1
71.26212	1.7
71.26550	1.2
73.15237	0.9
74.61202	0.9
77.83011	0.8
79.05483	53.0
80.05000	1.5
80.05817	3.1
81.07045	2.2
89.03895	7.0
91.05469	100.0
92.05783	3.5
92.06272	2.8
93.05797	1.0
93.07029	20.2
94.04067	1.2
95.04961	13.9
105.04517	2.0
105.07019	30.0
106.07348	2.2
107.04940	12.3
107.08582	53.6
108.04452	1.4
108.08890	2.5
108.92529	0.9
109.01099	4.1
109.06506	17.6
110.06868	1.2
115.05444	28.8
116.05809	1.1
117.03333	2.0
117.07005	18.1
118.06559	1.0
118.07317	1.2
119.03545	1.0
119.06086	5.5
119.08559	3.2
120.05700	2.2
120.09306	1.5
131.83385	1.1
133.06374	0.9
135.04417	13.4
135.05402	1.8
135.06464	1.6
135.08041	39.4
135.11662	6.2
136.02148	67.6
136.05144	1.3
136.06161	13.8
136.07457	6.5
136.08385	1.8
137.04614	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0439
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
50.71735	0.7
51.02357	0.7
53.03944	5.7
55.01861	1.1
55.05489	1.9
63.02361	4.6
65.03919	1.1
67.05487	2.3
68.05016	1.2
69.07057	1.3
70.41355	3.1
77.03878	1.7
79.05486	22.2
81.07047	1.6
89.03904	100.0
90.04227	3.5
91.05461	12.7
93.07027	13.2
95.04954	9.4
96.06861	1.0
105.04509	2.1
105.07014	3.8
107.04938	19.1
107.08578	16.7
108.05239	0.8
109.06492	1.5
115.05455	2.6
117.03358	34.8
117.07019	1.5
118.03686	1.0
119.08566	2.0
127.66628	0.7
135.04395	60.5
135.08026	4.8
135.08966	1.1
135.11644	5.9
136.02155	9.4
136.04747	2.9
136.06174	1.6
136.07562	1.5
146.58234	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.044
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
50.01583	1.2
51.02371	5.3
53.03940	12.2
55.01844	1.1
55.05495	1.4
65.03919	1.8
67.05495	5.4
69.07039	0.8
69.58980	2.4
69.59410	1.4
75.57677	0.5
77.03916	10.9
79.05481	33.4
80.05014	0.8
80.05817	1.0
80.27026	0.4
81.03391	1.7
81.07051	2.0
89.03879	3.2
91.05470	9.5
93.05762	0.5
93.07030	9.3
94.06577	0.5
94.44655	0.4
95.04956	24.0
96.05293	0.5
102.59340	0.4
105.03381	16.8
105.04450	4.9
105.07005	2.5
107.04933	5.5
107.08585	9.5
109.01086	3.0
109.06496	1.5
115.05439	1.4
117.03352	1.0
117.07004	1.5
118.06551	1.1
119.08559	1.9
120.09418	0.5
135.04398	100.0
135.08031	4.0
135.09079	0.8
135.11667	4.4
136.02141	27.5
136.03871	0.9
136.04752	4.0
136.06140	4.9
136.07552	2.4
137.04547	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0439
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
50.01574	1.2
50.42946	0.4
51.02368	4.5
53.03938	13.0
55.01843	1.9
55.03170	0.4
55.05502	4.1
57.07057	0.6
60.91537	0.5
65.03932	2.6
67.05493	5.3
68.05013	0.9
69.03410	0.6
69.07047	1.2
71.69463	1.1
71.69824	0.7
77.03914	10.6
79.05479	41.0
80.05035	0.5
80.05788	1.1
81.03395	1.5
81.07022	1.7
89.03890	1.5
91.05464	31.1
92.05771	0.7
93.07027	21.9
95.04950	23.6
96.05290	0.6
96.06858	0.5
97.84451	0.5
103.05482	1.0
104.06268	0.6
105.02673	0.5
105.03380	15.4
105.04462	4.9
105.07013	16.5
106.03683	0.5
107.04935	4.3
107.08575	49.3
108.08875	0.7
109.01093	0.8
109.06498	5.4
109.07616	0.6
110.88354	0.4
115.05422	2.0
117.06994	3.7
119.06051	1.8
119.08553	7.4
120.09376	2.7
126.47369	0.4
135.04391	100.0
135.08002	9.3
135.11662	11.4
136.02138	9.8
136.04718	3.6
136.06192	1.2
136.07561	1.9
136.08566	1.0
137.01126	0.5
137.09589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0439
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.02371	1.7
53.03718	1.0
53.03942	11.3
55.01860	1.6
55.05274	1.1
55.05502	12.3
57.07077	0.9
59.90794	0.8
63.02361	4.0
65.03928	3.2
66.15343	0.9
66.93425	1.0
67.05497	5.0
69.07056	4.7
69.53671	3.9
69.54095	5.2
72.52606	1.1
77.03906	1.9
79.05485	46.2
80.04996	0.9
81.07047	5.8
89.03905	79.0
90.04256	2.1
91.05467	49.3
92.05772	1.1
92.12190	1.2
93.07029	70.5
94.07838	1.4
95.04951	16.4
97.95338	1.0
105.04494	2.8
105.07019	19.5
107.04943	32.9
107.08577	100.0
108.02977	1.0
108.08915	4.1
109.06506	9.0
115.05441	4.0
117.03361	25.7
117.06992	2.8
119.06053	3.3
119.08559	8.8
120.09351	3.4
135.04398	52.8
135.08020	8.7
135.11674	20.6
135.30583	1.0
136.02148	12.3
136.04765	1.8
136.06149	1.9
136.07561	2.3
136.12001	1.5
142.63168	0.9
145.03922	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0599
Annotation	p-Tolyl isocyanate
Peak:m/z	Relative Intensity
53.03932	2.4
55.01865	0.8
55.05492	0.8
65.03933	8.5
65.97614	0.4
67.05492	0.8
71.45763	0.6
76.28612	0.4
77.03887	0.5
78.04693	0.9
79.05482	13.1
80.05001	0.6
87.05579	1.7
89.03903	1.6
91.05467	100.0
91.34282	0.4
92.05806	4.3
93.07021	2.0
95.04944	3.9
96.05285	0.5
104.05814	0.7
105.03376	1.9
105.04501	1.0
105.07008	3.2
106.04174	1.8
106.06544	47.8
106.07304	4.3
107.04940	7.0
107.06123	0.8
107.06877	2.5
107.08573	3.9
109.06499	15.5
110.06820	0.9
110.15031	0.5
115.05445	0.6
116.04946	4.2
117.07038	0.8
119.06049	6.4
120.09291	0.5
120.61214	0.4
124.05190	3.0
132.04413	1.0
133.05171	0.6
134.05997	53.8
134.06886	2.1
134.10509	0.8
135.04413	8.7
135.05467	0.7
135.06354	3.0
135.08032	3.6
135.09085	1.0
135.11687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.6
50.51926	0.4
51.02366	1.4
53.03941	11.8
55.01863	2.7
55.05499	1.6
56.96555	15.7
57.03415	2.7
58.99843	1.1
59.52174	0.6
60.04508	0.9
61.02898	0.6
65.03929	3.8
66.04707	0.9
67.01842	0.8
67.02959	0.6
67.05470	1.5
68.52686	0.5
68.99781	0.6
69.03437	2.4
69.03719	0.6
70.06604	0.5
70.39772	1.6
70.40157	0.9
70.98105	1.0
71.01360	0.6
71.95216	0.8
74.97598	0.7
75.05589	1.2
77.00883	1.4
77.03911	3.2
78.04669	1.1
78.52950	1.6
79.05482	57.1
80.04979	0.8
80.05802	1.6
81.00977	0.5
81.03407	4.4
81.07056	1.0
82.01428	1.7
82.04181	0.7
82.14671	0.5
83.04964	1.7
87.05601	2.7
88.99122	0.8
89.00804	0.8
89.02480	0.5
89.03915	0.8
90.04748	0.5
91.00496	0.8
91.02392	0.6
91.04917	1.0
91.05465	15.7
92.02505	0.6
92.05788	0.9
93.01897	0.8
93.03392	2.0
93.07022	1.3
94.04047	3.3
94.06582	0.9
95.01299	1.2
95.01899	0.6
95.04954	27.9
96.01487	0.7
96.05303	1.0
97.02201	1.0
97.02869	1.5
97.03394	1.0
97.53716	0.9
97.99152	0.6
98.02908	3.2
98.03477	0.6
98.97578	2.6
100.02470	12.8
101.00813	1.4
101.02561	1.1
103.00480	0.6
103.02391	0.7
103.05450	0.6
103.53724	4.6
104.03849	0.8
104.52687	0.7
104.54474	4.3
105.00312	0.7
105.04504	6.1
105.07008	1.2
106.00981	0.6
106.02654	2.5
106.04166	0.9
107.03445	8.6
107.04939	92.1
107.08578	2.9
107.53510	1.0
108.05181	3.1
108.08109	0.9
109.01086	1.2
109.02886	0.6
109.05085	0.9
109.06488	1.0
109.07613	0.7
109.53719	1.2
110.52658	1.1
110.97550	2.3
111.02049	1.7
111.02978	0.5
111.04461	0.9
111.53448	0.8
112.01038	0.7
112.02653	6.0
112.05180	1.0
112.52721	0.7
112.54234	0.9
113.00852	4.1
113.02532	0.7
113.54951	1.2
114.04013	0.7
115.01167	1.4
116.00247	0.7
116.02081	0.6
116.98586	1.6
117.07017	0.7
118.03478	9.3
118.04136	0.8
118.06540	1.0
118.54202	3.8
119.01912	3.5
119.03535	10.9
119.04913	5.9
120.03245	0.7
121.01565	1.0
121.03137	5.8
121.53177	0.6
123.04105	0.5
123.53432	3.3
124.03517	0.7
128.98578	2.8
129.03259	0.6
131.01886	34.6
132.05077	0.8
133.03436	0.9
134.99626	1.4
135.04398	48.4
135.08037	1.6
135.09079	0.8
135.11688	0.9
136.02148	13.7
136.06165	100.0
137.02963	0.8
137.04561	6.6
142.03453	1.3
144.02982	0.5
146.03595	1.5
146.99609	3.7
147.04315	2.7
149.02931	9.6
149.04784	0.6
153.03999	1.7
154.03499	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60894	3.4
53.03946	7.5
55.01852	16.2
56.05024	5.9
56.96557	34.5
57.03425	41.8
57.17753	3.7
58.06588	29.4
58.99845	5.9
59.04984	9.6
59.07382	6.1
60.08142	5.4
64.95515	3.9
68.02626	6.2
69.03416	22.5
69.90685	4.2
70.06595	20.0
70.51703	9.8
70.52096	9.4
71.04979	12.7
72.08144	35.1
73.02905	63.3
74.02425	23.2
74.06067	14.6
76.07612	8.8
77.00893	9.6
78.52934	5.9
78.80141	3.7
79.05490	25.4
81.03421	9.1
82.01446	6.1
85.02898	14.9
85.51906	5.9
85.53722	4.7
86.06031	8.1
86.52689	16.4
88.02682	22.4
88.03987	13.9
88.07626	23.1
88.52742	5.3
90.09199	20.1
91.00526	7.0
91.05450	6.7
93.01883	6.5
93.53456	10.5
95.04963	12.9
95.53243	6.0
96.02383	4.9
97.02835	4.8
98.06048	7.1
99.04436	5.9
100.01035	9.4
100.02465	38.3
101.00870	28.8
101.02558	8.0
102.00951	4.0
102.02384	30.9
102.09189	31.5
102.52434	7.2
103.02417	4.7
105.00340	4.7
106.06540	7.1
106.07341	6.4
107.04948	25.6
108.53001	5.9
111.02905	21.5
112.00996	4.0
113.00842	8.1
113.53191	7.4
118.01144	5.2
118.03502	23.0
119.01907	100.0
119.03615	4.7
120.02008	16.0
120.03382	12.3
121.01564	11.1
121.03407	3.9
122.53765	7.3
124.02422	15.4
128.01910	6.0
129.03934	6.1
131.01880	35.7
132.01971	6.2
134.05937	9.0
134.06998	4.0
134.08080	6.2
134.11740	95.9
135.03358	4.4
135.04405	12.8
137.02959	16.5
138.07887	7.1
142.03488	93.5
143.03600	12.2
144.03148	5.3
145.03424	5.6
147.01431	4.0
149.02989	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	134.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60894	3.4
53.03946	7.5
55.01852	16.2
56.05024	5.9
56.96557	34.5
57.03425	41.8
57.17753	3.7
58.06588	29.4
58.99845	5.9
59.04984	9.6
59.07382	6.1
60.08142	5.4
64.95515	3.9
68.02626	6.2
69.03416	22.5
69.90685	4.2
70.06595	20.0
70.51703	9.8
70.52096	9.4
71.04979	12.7
72.08144	35.1
73.02905	63.3
74.02425	23.2
74.06067	14.6
76.07612	8.8
77.00893	9.6
78.52934	5.9
78.80141	3.7
79.05490	25.4
81.03421	9.1
82.01446	6.1
85.02898	14.9
85.51906	5.9
85.53722	4.7
86.06031	8.1
86.52689	16.4
88.02682	22.4
88.03987	13.9
88.07626	23.1
88.52742	5.3
90.09199	20.1
91.00526	7.0
91.05450	6.7
93.01883	6.5
93.53456	10.5
95.04963	12.9
95.53243	6.0
96.02383	4.9
97.02835	4.8
98.06048	7.1
99.04436	5.9
100.01035	9.4
100.02465	38.3
101.00870	28.8
101.02558	8.0
102.00951	4.0
102.02384	30.9
102.09189	31.5
102.52434	7.2
103.02417	4.7
105.00340	4.7
106.06540	7.1
106.07341	6.4
107.04948	25.6
108.53001	5.9
111.02905	21.5
112.00996	4.0
113.00842	8.1
113.53191	7.4
118.01144	5.2
118.03502	23.0
119.01907	100.0
119.03615	4.7
120.02008	16.0
120.03382	12.3
121.01564	11.1
121.03407	3.9
122.53765	7.3
124.02422	15.4
128.01910	6.0
129.03934	6.1
131.01880	35.7
132.01971	6.2
134.05937	9.0
134.06998	4.0
134.08080	6.2
134.11740	95.9
135.03358	4.4
135.04405	12.8
137.02959	16.5
138.07887	7.1
142.03488	93.5
143.03600	12.2
144.03148	5.3
145.03424	5.6
147.01431	4.0
149.02989	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	134.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49570	0.8
53.03931	2.0
55.01852	3.4
55.05490	1.3
56.96558	10.1
57.03432	11.9
58.99853	2.3
59.52158	1.1
60.04506	1.6
60.95848	1.2
63.04067	0.9
66.87672	0.9
67.05482	1.8
68.02619	1.6
69.03407	4.8
69.73094	3.1
69.73524	3.4
72.52945	3.2
73.02899	5.7
74.02431	56.6
74.06057	1.3
77.00897	4.7
77.52145	1.4
78.52950	2.7
79.05478	5.3
79.51147	3.2
80.01241	1.1
80.51010	1.2
81.03396	4.0
82.01452	1.4
83.01332	0.8
83.04941	1.1
85.02898	2.9
86.52682	14.9
87.02773	1.8
87.05568	3.6
88.02655	4.0
88.03442	1.3
88.03982	30.6
88.51682	49.7
89.01732	11.6
89.02536	1.2
89.51526	10.4
90.52921	2.1
91.05460	3.7
92.52685	1.1
93.01871	1.9
93.07023	2.3
93.53436	1.9
95.01916	1.2
95.04952	1.6
95.53216	7.2
96.03368	1.1
97.02146	1.0
97.03223	1.4
97.52197	7.9
98.01407	1.1
98.03465	1.8
98.97559	2.7
99.53442	3.8
100.02470	28.7
100.52511	3.0
101.00848	6.0
101.02493	3.4
102.00929	1.1
102.02345	5.0
103.02409	2.6
105.00352	1.6
105.07030	2.2
106.00301	1.4
106.06529	2.5
106.07265	1.1
107.04022	1.5
107.04942	3.0
107.06036	1.4
107.08572	2.9
107.98170	1.6
111.02912	6.1
111.53342	2.0
113.53170	2.7
115.01152	1.2
115.02389	2.6
116.03433	1.3
116.98631	7.9
117.03960	1.2
117.06980	1.6
117.98536	1.0
118.00229	1.2
118.02710	1.8
118.03505	18.0
119.01907	38.4
119.03605	2.9
119.48969	3.7
119.99039	0.9
120.01943	9.6
120.03305	3.4
120.04204	2.8
121.01639	7.6
121.03474	1.5
122.48026	0.9
122.53664	2.0
123.03947	1.4
124.02430	2.7
125.02404	1.4
125.99192	19.7
126.49232	8.0
126.99086	5.3
127.00729	1.0
128.01897	1.8
128.06236	1.3
128.49460	20.6
128.99516	6.6
129.02032	1.0
129.03972	3.4
129.49382	5.1
130.03497	1.4
131.01884	10.4
131.02754	1.5
131.53149	2.5
131.54112	0.9
132.05025	1.9
132.05954	1.0
133.03453	3.3
134.03593	4.4
134.04504	1.7
134.05986	7.3
134.07080	2.4
134.09622	2.6
134.99664	7.9
135.04355	2.5
136.04541	1.7
137.02951	15.5
137.49994	100.0
137.98320	1.9
138.00034	29.5
138.03015	3.7
138.49855	35.1
138.98897	1.9
138.99927	3.1
139.02654	4.1
140.00266	5.0
140.50276	1.3
140.53645	2.3
141.00171	1.4
141.02676	2.1
142.03487	27.6
142.07738	1.1
143.01822	1.2
143.03586	6.1
143.08571	1.3
144.03210	5.0
145.03410	1.8
145.06465	1.3
146.50494	2.3
147.05069	4.3
149.00792	18.3
149.02904	2.8
149.50815	3.2
149.51871	1.3
150.00696	7.0
150.50793	1.0
150.97491	1.1
152.05832	1.7
153.00842	1.7
154.03465	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	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03944	1.5
54.25884	0.3
55.05508	2.8
65.03925	0.5
67.05492	0.8
71.43645	0.8
71.44009	0.4
77.03922	0.3
79.05486	7.0
91.05470	22.4
92.06268	0.4
93.07034	6.5
95.04964	2.4
103.05459	4.0
105.07018	58.0
106.07365	2.7
107.08581	1.8
108.67896	0.4
115.05444	8.3
116.06225	1.4
117.07005	8.8
118.07793	10.6
119.08127	0.4
123.46097	0.4
129.07005	0.9
131.08563	7.2
132.08847	0.4
133.10114	100.0
134.10439	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	133.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.05503	3.5
65.03929	0.8
67.05505	0.7
70.10227	3.1
74.63642	0.5
77.03912	1.1
79.05484	11.8
91.05469	28.6
92.05787	1.4
93.07036	7.0
95.04958	2.6
103.05447	5.6
104.47549	0.6
105.07015	87.0
106.07327	3.5
106.22568	0.5
107.08593	1.7
115.05441	10.3
116.06271	1.5
117.06997	8.3
118.04126	0.5
118.07803	10.4
129.07050	1.0
131.08549	12.2
133.06503	5.7
133.10110	100.0
134.05988	1.2
134.10437	5.0
145.68307	0.5
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	Unknow
Peak:m/z	Relative Intensity
52.50676	0.3
53.01768	0.3
53.03938	1.5
55.05506	2.3
65.03925	0.9
67.05498	0.7
70.99401	0.9
77.03906	0.3
78.04701	0.4
79.05486	8.9
87.69571	0.3
87.70440	0.3
91.05469	24.1
92.05773	0.7
93.07030	5.6
95.04951	2.4
103.05462	5.3
104.06285	0.4
105.07016	63.8
106.07339	2.8
106.94570	0.3
107.08568	1.5
115.05444	8.4
115.06216	0.5
116.06274	1.7
117.07005	9.2
118.07798	9.4
119.08103	0.4
129.06982	0.5
131.08546	8.6
132.08937	0.4
133.06511	2.5
133.10112	100.0
134.05946	0.6
134.10440	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	133.101
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02375	0.3
53.03941	2.2
54.57499	0.3
55.01869	0.4
55.05511	1.4
62.07234	0.3
67.05511	0.4
71.04821	0.6
71.05147	0.3
77.03924	0.8
79.05485	14.7
80.05808	0.5
91.05471	12.1
91.16771	0.3
92.05760	0.3
93.07034	1.9
95.04955	3.2
103.05457	8.3
104.05751	0.5
105.07017	100.0
106.07358	4.0
106.08045	0.4
107.08598	0.3
115.05435	3.4
116.06238	0.5
117.07025	3.4
118.04165	2.6
118.07790	3.1
131.08539	4.1
133.06476	26.4
133.10112	27.3
134.06853	1.6
134.10471	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.101
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03920	2.3
55.05502	3.6
59.08750	0.6
65.03943	0.8
67.05495	0.8
71.25494	1.5
78.04694	0.6
79.05479	11.2
84.98592	0.5
91.05460	28.2
91.45635	0.5
92.05783	1.3
93.07028	6.6
95.04942	2.4
95.51805	0.6
103.05453	6.1
105.07008	71.0
106.07332	3.8
107.08548	1.7
109.05246	0.6
115.05433	7.3
116.06229	1.5
117.06990	10.9
118.07781	10.4
119.08131	0.9
129.06978	0.7
131.08514	7.2
132.08879	0.7
133.06482	2.5
133.10101	100.0
134.10423	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	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02359	0.4
53.03944	2.2
55.01858	0.6
55.05507	1.5
56.39319	0.3
65.03915	0.5
67.05479	0.5
70.43893	1.1
70.73748	0.2
77.03908	0.7
79.05480	14.4
79.67162	0.3
80.05817	0.7
90.04662	0.3
91.05464	13.1
92.05802	0.6
93.07040	1.7
95.04952	4.5
103.05453	8.1
104.05738	0.3
105.07013	100.0
106.07342	5.9
107.08555	0.7
115.05434	4.2
116.06297	0.5
117.07005	3.4
118.04153	2.9
118.07802	3.8
129.07007	0.6
131.08553	4.5
133.06474	27.9
133.10107	28.6
134.05907	0.4
134.06807	1.7
134.10458	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1008
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.55230	0.4
52.89552	0.3
53.03935	0.5
55.05499	1.6
58.86043	0.3
62.93762	0.3
65.03931	2.3
67.05476	0.5
70.02939	1.6
78.04707	1.1
79.05498	2.9
80.96841	0.3
83.36482	0.4
91.05467	100.0
92.05791	4.6
93.07044	0.8
95.04967	0.9
101.80194	0.4
103.05449	2.2
104.06236	16.4
105.07021	25.6
106.06545	0.9
106.07354	1.2
112.93739	0.4
115.05456	0.8
117.07005	0.8
118.07792	0.6
131.08546	1.2
133.06487	2.3
133.07506	0.7
133.10115	12.1
134.06000	1.6
134.10448	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.7
53.03939	3.2
55.01865	6.8
55.05499	1.5
58.05322	0.7
61.60451	0.4
66.04698	0.5
67.05493	0.8
71.62185	0.8
75.05584	0.6
77.03900	1.1
79.05485	20.5
80.05840	0.8
90.04676	1.5
91.05470	18.7
92.05767	0.5
93.07029	1.7
94.04130	0.6
95.04955	5.6
103.05455	14.3
105.03372	1.1
105.07016	100.0
106.06529	1.5
106.07339	5.1
107.04939	0.7
112.60930	0.4
115.05454	5.6
117.07021	2.2
118.04161	5.1
118.07773	1.8
131.04942	1.2
131.08578	3.5
133.02826	0.7
133.06477	45.7
133.10104	16.5
134.03557	0.6
134.05981	2.5
134.06845	2.7
134.09552	1.0
134.10483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02374	0.9
51.08685	0.3
53.03936	4.6
55.01860	5.0
69.96803	2.1
69.97191	0.6
77.03918	1.1
79.05479	30.9
80.05810	1.4
81.03376	0.5
91.05421	0.6
95.04954	7.6
96.05286	0.5
103.05451	20.4
104.05731	0.7
105.04601	2.1
105.07009	100.0
106.07343	6.3
112.61110	0.4
118.04159	4.2
123.08025	0.6
133.06464	26.1
133.10056	0.4
134.06813	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02366	0.8
53.03932	5.3
55.01598	0.9
55.01863	17.6
55.05515	0.8
57.04545	1.0
58.05326	2.5
59.06104	1.0
60.04538	0.7
67.22600	0.6
69.03397	1.0
71.59158	0.7
72.04494	1.3
73.04034	0.8
74.02419	1.7
74.06064	1.8
75.05595	6.1
76.03992	1.1
77.03915	1.5
77.32197	0.6
79.05481	31.8
80.05820	0.9
85.04011	1.5
86.06028	0.7
87.05576	1.8
88.07597	1.0
91.05022	0.7
91.05486	9.4
92.05804	0.8
93.05758	1.1
95.04951	10.2
97.02880	0.7
103.05453	20.8
104.05760	1.0
105.03413	1.4
105.04510	2.6
105.07014	100.0
106.06547	2.6
106.07365	4.4
107.06114	0.8
115.05455	12.6
116.04958	0.6
116.05785	0.6
116.07058	0.9
117.07021	0.9
118.04119	2.0
125.71844	0.7
131.04910	21.9
132.05295	1.7
133.02870	1.4
133.06474	66.0
133.07433	2.7
133.10150	5.1
134.05968	3.5
134.06837	4.1
134.09624	1.0
144.73767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0442
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
51.02370	1.3
51.15339	0.3
53.03682	0.4
53.03936	5.6
55.01860	1.2
55.69080	0.3
56.05017	0.5
57.03442	0.4
57.04557	0.6
58.02919	0.3
58.05330	1.0
58.06582	0.6
59.06128	0.4
60.04514	0.3
66.26478	0.3
68.05016	0.4
69.07063	0.3
70.06582	0.4
71.27947	0.8
71.28303	0.3
72.04494	0.5
72.08143	0.8
72.93751	0.3
73.04031	0.3
74.02429	0.3
75.05582	1.3
77.03902	1.8
79.05476	4.8
81.03399	0.8
84.04498	0.3
85.04021	0.7
86.06046	0.6
86.09683	0.9
87.05574	0.9
89.07141	0.3
90.90317	0.3
91.05468	1.6
92.05847	0.4
95.04947	12.1
96.04472	1.9
96.05343	0.3
103.05448	3.4
104.04972	76.8
105.03394	2.5
105.04506	2.2
105.05311	2.6
105.07008	25.2
106.38470	0.2
107.83410	0.3
113.81545	0.3
114.05462	0.3
115.05431	1.1
115.08653	0.3
117.05750	0.9
117.06962	0.4
118.04145	0.5
119.57917	0.3
131.04869	0.5
131.08554	0.3
132.04424	100.0
132.08040	1.6
133.02873	0.6
133.04848	4.0
133.06458	13.7
133.07442	0.5
133.10097	2.0
137.28503	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1018
Annotation	DL-tert-Leucine
Peak:m/z	Relative Intensity
53.03928	2.3
55.01855	1.5
55.05505	6.1
56.00263	0.6
56.05037	0.8
56.96559	30.2
57.03430	1.3
58.05330	0.6
58.06590	1.1
60.04530	2.9
60.95830	0.8
62.92999	0.5
65.00793	0.7
65.03928	2.4
67.05492	2.3
68.99767	0.6
69.03420	2.8
69.07052	2.8
70.03775	0.6
70.05546	3.1
70.05838	0.8
71.95251	1.0
72.04511	3.7
72.08146	6.6
73.02904	2.3
73.06551	5.2
74.06075	1.2
74.97607	0.8
75.05599	1.6
77.00883	0.7
78.04688	0.6
79.05479	6.8
80.06259	0.6
81.03420	3.0
81.04509	0.5
81.07037	4.3
82.01437	0.7
83.04958	1.6
84.96026	1.6
85.02885	0.8
86.02051	0.6
86.06044	1.3
86.09695	100.0
87.10026	3.7
90.09176	3.5
91.05468	9.2
93.07087	0.5
93.51442	0.6
95.04958	4.0
97.02885	1.2
97.53700	0.7
98.21439	0.7
98.52687	1.3
98.97584	1.2
100.01794	2.9
100.02473	4.7
101.00795	0.6
101.02534	1.6
102.01518	0.5
102.51940	0.5
102.96970	0.6
103.01416	0.6
103.05489	0.5
103.53706	1.7
104.01289	0.5
104.54506	0.9
105.03386	1.2
105.07020	9.0
105.53475	0.6
106.01797	0.7
106.02631	0.7
107.03430	2.6
107.04945	2.1
109.02308	1.5
109.06508	2.1
110.03103	2.0
111.04450	1.0
112.02184	1.8
112.54211	0.7
114.01591	0.6
114.09151	3.1
115.02314	2.7
115.05531	0.5
116.07066	0.7
117.05753	1.1
118.03483	4.0
118.04115	0.5
118.54155	0.7
119.01899	1.5
119.04931	2.2
121.03175	0.8
123.04425	1.1
123.07946	2.3
124.02805	1.4
128.01982	0.6
129.01999	1.0
131.01897	1.1
132.04381	1.2
132.05287	0.9
132.06540	1.0
132.08102	1.7
132.10219	1.9
133.06458	2.4
133.07423	0.6
133.10077	0.8
135.04376	1.0
144.04807	0.9
146.99652	0.8
153.03856	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.3
51.02366	0.9
53.03940	5.4
54.28618	0.2
55.01854	0.5
56.05017	0.4
57.03422	0.3
58.06572	0.3
69.57797	2.1
70.03745	0.3
70.06567	0.4
72.04484	0.4
72.08145	0.6
77.03892	1.6
81.03402	0.7
84.04469	0.3
85.04839	0.4
85.08459	0.6
86.06061	0.4
86.09702	0.3
90.79324	0.2
91.05464	0.7
95.04954	11.2
96.05264	0.3
102.04671	2.7
103.05453	18.5
104.05765	0.5
105.04511	2.4
106.48152	0.2
113.07185	0.5
113.07929	1.3
117.05756	0.6
131.04909	100.0
132.05190	4.0
132.08012	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	0.2
51.02373	0.6
53.03936	3.6
55.01856	0.3
55.09800	0.2
57.88507	0.1
69.03412	0.3
69.53612	0.4
69.54010	1.5
70.03760	0.4
72.04503	0.2
77.03915	0.8
81.03403	0.3
84.04507	0.2
85.02914	0.2
85.04818	0.3
85.08450	0.4
91.05459	8.7
92.05791	0.2
95.04947	6.9
95.98235	0.2
102.04662	1.1
103.05445	100.0
104.05061	0.3
104.05769	5.2
104.06428	0.3
105.04490	1.6
106.17678	0.2
113.07922	1.4
115.05460	0.9
116.06222	2.3
129.06989	1.4
131.04901	15.1
131.06891	0.5
131.08531	6.3
132.04343	0.3
132.05234	0.6
132.06512	0.2
132.08009	0.3
132.08893	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.6
51.30392	0.2
53.03942	3.7
55.01862	0.3
55.05518	0.3
56.05025	0.4
56.96545	0.4
57.03424	0.5
59.57026	0.2
65.03922	0.3
66.29287	0.2
69.03424	0.6
70.03735	0.8
71.70467	0.3
72.04514	0.3
75.14426	0.2
77.03915	0.9
81.03390	0.3
84.04472	0.3
85.02921	0.3
85.04811	0.6
85.08450	0.6
86.06075	0.3
86.09686	0.4
91.05468	16.4
92.05809	0.5
95.04955	7.1
95.06907	0.3
102.04678	1.2
103.05455	100.0
104.05785	4.7
105.04513	1.3
113.07230	0.4
113.07932	2.5
115.05434	1.9
116.06248	4.8
116.98612	0.3
128.06218	0.3
129.06984	2.4
131.04918	16.4
131.07004	2.0
131.08534	12.1
132.04376	0.3
132.05267	0.8
132.08011	0.5
132.08913	0.5
133.56305	0.2
144.08073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0651
Annotation	Isoquinoline
Peak:m/z	Relative Intensity
51.02373	0.3
53.03941	1.8
56.05017	0.4
56.96550	0.2
57.07052	0.2
67.05480	0.1
69.03417	4.2
69.07055	0.6
69.25003	0.1
70.06587	0.2
74.09699	0.1
77.03922	0.5
81.03410	0.2
82.06574	0.2
84.04488	4.0
84.08128	2.8
91.05459	1.1
91.97612	0.1
95.04948	3.4
98.21563	0.2
102.04662	0.7
103.05448	24.2
104.05788	0.5
105.04501	0.9
112.07584	8.6
113.07935	0.2
115.05447	0.2
116.06255	0.3
128.04955	2.5
129.06975	0.3
130.06503	100.0
130.15942	0.1
131.04913	2.2
131.06848	4.3
131.08406	1.0
132.63658	0.1
146.05980	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.2
51.02376	0.4
53.03939	3.2
54.04262	0.2
55.01843	0.2
68.48662	0.2
69.03423	0.2
70.03762	0.2
70.37433	0.2
71.64891	0.1
72.16580	0.1
77.03915	0.9
81.03406	0.4
84.04465	0.2
85.04210	0.2
85.04803	0.3
85.08490	0.3
91.05470	4.0
92.05796	0.3
95.04956	6.9
99.49451	0.1
102.04658	1.1
103.05452	100.0
104.05784	4.8
105.04496	1.6
105.63554	0.2
113.07940	1.0
115.05447	0.7
116.06224	1.3
118.06532	0.2
121.16818	0.1
129.06985	0.7
131.04909	12.7
131.06865	4.1
131.08498	3.1
132.05238	0.5
132.07120	0.2
132.08047	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.4
51.02377	0.7
53.03940	4.1
55.01849	0.2
55.49616	0.2
61.35265	0.2
69.03402	0.2
70.03777	0.2
71.65250	0.3
77.03906	1.1
81.03406	0.4
84.06971	0.2
85.04836	0.2
86.09676	0.2
87.83932	0.2
91.05463	2.7
95.04950	7.1
96.03251	0.2
97.90285	0.2
102.04659	1.1
103.05452	100.0
104.05782	3.9
105.04500	1.4
113.07922	0.7
116.06205	0.8
129.06969	0.3
131.04909	14.4
131.08530	1.9
132.05254	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08655	0.4
51.02377	0.6
53.00296	1.3
53.03940	5.8
54.09831	0.4
55.01862	4.7
55.05507	0.8
56.05018	0.8
56.48725	0.4
56.96558	2.9
57.03430	1.1
58.06588	0.9
60.05637	3.4
65.03940	0.6
68.02508	5.1
69.03421	12.5
69.64571	3.6
70.06576	1.8
71.01324	0.5
71.04969	2.8
73.12568	0.4
78.52955	0.8
81.03401	14.9
81.04520	1.4
82.01434	1.6
82.02931	0.5
82.06563	1.7
83.01333	0.6
84.08118	3.6
84.22941	0.4
84.96017	0.5
85.02876	1.1
85.05137	56.3
85.51913	2.5
86.04855	0.4
86.05466	0.6
86.06021	0.6
94.52419	11.8
95.01311	1.4
95.02518	2.3
95.06145	0.5
95.52301	0.9
97.02864	2.2
97.07648	0.5
99.04449	2.2
100.02460	5.4
100.07599	0.6
101.02591	1.0
102.02258	0.7
103.02418	1.0
103.52939	2.0
104.02109	0.4
106.03223	1.0
106.52452	0.5
109.02859	14.1
110.03204	0.5
110.04644	1.6
110.06026	0.5
111.09176	2.0
113.02366	1.0
118.03512	3.3
118.04221	0.5
119.01898	1.7
119.03581	1.0
121.01678	1.5
121.03551	0.5
122.02023	1.1
126.04034	0.5
127.03901	22.4
127.07262	100.0
128.04239	1.0
128.05577	0.5
128.06895	1.0
128.07726	0.8
131.01917	0.9
139.02650	0.8
144.05045	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
68.27470	0.2
70.90640	0.4
70.91012	0.4
70.99825	0.2
82.01401	0.2
82.99805	1.2
83.01510	0.4
84.01159	0.2
84.95113	0.2
100.02474	1.2
101.00860	16.6
101.02536	2.7
102.00953	0.8
102.02204	1.1
118.03500	0.9
119.01900	100.0
120.01986	4.8
120.03254	0.6
121.02320	0.4
124.02325	0.4
130.00389	0.2
133.03511	0.2
137.02934	39.9
138.03035	2.0
139.03311	0.4
142.03485	5.6
143.03711	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
55.79292	0.3
56.96566	0.4
58.99847	1.5
66.25598	0.3
69.18452	0.3
69.46030	2.0
69.46453	1.1
70.99844	1.1
77.00894	2.4
78.06287	0.4
80.05014	2.9
81.05349	0.6
82.99850	0.8
83.01505	0.7
84.01194	0.6
89.00880	0.6
89.02556	0.4
95.01933	0.6
96.04477	2.0
97.02836	0.6
98.20671	0.7
100.02469	2.5
101.00866	16.3
101.02541	4.3
102.00933	0.7
102.02215	3.2
102.02843	0.5
103.02274	0.5
107.03510	0.3
110.04793	0.6
118.03510	1.3
119.01902	100.0
119.03621	3.6
119.57761	0.3
120.01982	6.2
120.03185	2.0
121.01608	0.8
121.02401	0.3
124.02509	0.5
124.03935	12.6
124.05878	1.2
125.07119	0.5
133.03470	0.5
137.02936	38.0
138.03006	2.8
139.03383	0.4
142.03479	6.5
143.03595	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15701	0.4
53.00311	0.9
53.03938	11.0
53.04172	0.7
54.04289	0.6
55.01865	11.3
55.05511	2.1
56.05031	3.0
56.96556	5.5
57.03437	2.9
57.55173	0.5
58.06599	2.0
58.99858	0.6
59.06116	2.8
60.04522	0.8
60.99628	0.7
61.74736	0.6
65.03934	1.5
67.01865	1.1
67.02992	0.6
67.04226	0.7
67.05496	1.7
68.05019	7.4
68.52715	0.7
68.78445	0.5
69.03424	5.2
69.05362	3.6
69.05717	0.7
70.06576	7.0
70.12977	1.1
70.13373	1.3
71.01353	1.0
71.04980	9.3
71.07372	0.9
72.04513	0.8
72.08144	0.9
77.00907	1.0
78.52941	2.8
79.05482	1.1
79.51921	1.0
80.05016	0.8
80.52680	0.6
81.03405	58.2
81.07054	1.5
82.01443	1.3
82.03735	1.2
82.04867	0.6
82.06560	5.9
83.01337	1.2
83.04988	1.0
83.06094	3.8
84.01565	0.6
84.04509	1.5
84.05762	0.5
84.08115	2.6
84.42829	0.5
85.02914	1.3
85.07655	1.9
86.00937	0.8
86.06050	4.7
86.07966	0.8
86.52670	0.8
87.06834	4.8
87.53472	0.8
89.01682	0.7
90.03752	0.6
91.05469	1.7
92.02602	8.1
92.04974	0.7
92.06243	0.9
93.03407	1.9
94.52451	0.8
95.06075	0.7
96.06876	0.8
97.02901	1.3
97.07643	1.9
98.05999	0.5
99.01948	0.9
99.04437	5.4
99.09196	1.0
100.01824	0.7
100.02467	10.1
100.07597	2.0
100.52389	1.0
101.00875	1.2
101.02502	1.5
102.02212	4.6
103.00608	8.0
103.02509	1.3
103.05446	1.5
104.00873	5.7
104.01934	3.7
104.02901	1.4
105.00318	0.6
105.03383	0.7
106.52402	0.6
107.02538	0.6
109.02863	72.4
109.07628	8.0
110.03210	2.1
110.06023	3.7
110.08421	0.9
110.52662	6.6
110.54481	1.9
111.02773	0.9
111.09178	7.3
112.06390	0.5
112.52396	1.7
113.01601	3.8
113.02579	1.4
113.03413	2.0
115.01180	2.8
115.02433	1.0
117.02156	1.0
118.03504	10.0
119.01909	11.6
119.03599	1.6
119.04964	1.2
119.53175	1.2
120.02027	2.3
120.03261	4.2
121.01649	100.0
121.03535	2.1
121.99419	4.3
122.01960	85.7
122.52202	0.9
123.02065	8.8
124.52374	1.4
124.53360	1.2
127.03896	100.0
127.08636	7.8
127.10602	2.4
127.12254	0.5
128.03391	0.5
128.04263	2.8
128.07056	1.6
128.08015	0.5
128.11775	0.8
131.01810	1.2
131.02654	1.3
131.04877	1.2
132.05089	0.6
133.02142	1.9
133.03415	2.1
133.52907	1.9
135.03194	1.2
135.04999	0.7
136.04491	0.6
137.02916	5.3
137.04677	0.7
138.03062	2.5
139.02667	72.0
140.00450	6.4
140.03000	66.5
141.03094	6.3
142.03476	2.5
144.03239	6.3
145.00873	1.0
145.03529	12.9
146.02864	0.7
147.04126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02366	0.9
53.03938	6.6
54.03462	1.5
55.01863	1.5
55.05503	16.3
56.05025	3.3
57.03422	0.6
57.07073	3.3
65.03933	4.4
67.05495	67.1
68.05021	2.3
68.05826	2.2
69.03424	0.9
69.04547	0.5
69.07059	1.9
69.69625	4.0
70.06592	1.6
77.03924	1.4
78.03426	1.0
79.05480	20.9
80.05006	21.4
80.06261	1.1
81.03414	5.8
81.04540	4.0
81.07044	100.0
82.04871	0.6
82.06575	0.9
82.07375	3.1
83.04967	0.8
83.06078	5.7
91.05460	3.2
93.07029	12.7
94.07829	1.0
95.04954	65.3
95.08591	45.5
96.04480	11.8
96.05278	2.3
96.08133	0.7
96.08933	1.8
97.07630	3.4
100.02470	5.1
105.03361	0.7
105.04506	2.3
105.06992	3.4
106.02924	1.0
106.88268	0.5
107.04966	1.8
107.06062	4.0
108.05724	4.7
112.03951	6.0
114.29364	0.5
118.03516	3.7
119.01929	2.0
121.06471	0.6
121.10152	1.1
123.04436	10.2
123.05546	33.3
123.08061	66.1
123.11673	13.4
123.75748	0.4
124.03934	22.4
124.04845	0.9
124.05901	1.3
124.07562	2.0
124.08643	8.5
124.11974	0.7
137.02956	1.4
140.03404	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	123.0804
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02374	0.8
53.03938	4.0
55.05503	14.5
56.05029	0.5
57.07062	3.3
65.03922	2.2
65.73963	0.5
67.05493	51.4
68.05816	1.6
69.07050	2.0
69.99543	2.2
70.30569	0.5
79.05480	20.0
80.05022	3.6
80.05809	0.8
80.06259	0.9
81.03412	4.6
81.07041	100.0
82.07394	2.8
90.08075	0.5
91.05460	3.8
93.06496	0.9
93.07027	9.6
94.07833	0.8
95.04955	28.7
95.08591	35.7
96.04491	2.2
96.05247	1.2
96.08916	1.6
97.07613	0.7
97.38569	0.5
105.04491	0.6
105.06998	2.0
107.03165	0.6
107.04949	0.7
108.05684	3.2
108.09463	0.5
112.03913	0.7
121.06442	0.5
123.04428	1.9
123.05536	5.9
123.08054	44.8
123.11681	13.5
124.03934	4.2
124.08470	1.8
140.03372	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0804
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02347	1.3
52.79210	0.6
53.03936	12.7
53.62751	0.6
54.03463	4.2
55.01873	3.0
55.05503	9.6
56.05029	7.9
57.07064	3.3
58.06569	1.1
65.03936	3.9
66.03438	1.1
67.04234	1.1
67.05493	49.4
68.05014	7.8
68.05823	1.4
69.03415	1.4
69.04538	2.2
69.07043	2.3
69.74715	1.0
69.75130	3.7
70.06584	3.4
72.94658	0.7
77.03913	2.1
78.03417	1.0
79.05021	1.2
79.05482	21.5
80.05004	44.5
80.05784	2.1
80.06252	1.7
81.03416	4.0
81.04520	9.6
81.07042	65.3
82.05302	1.6
82.06568	1.1
82.07361	2.0
83.05653	0.8
83.06094	12.1
91.05461	2.4
93.07032	7.3
95.04952	100.0
95.06044	3.0
95.08589	43.8
96.04475	23.4
96.05281	3.1
96.08095	1.4
96.08920	1.6
97.07635	7.6
98.20698	1.2
100.02470	7.5
101.02566	0.8
103.05472	1.9
105.03388	1.6
105.04504	4.8
105.07018	11.3
106.02903	1.8
107.04959	6.7
107.06051	10.4
108.05728	36.0
109.05299	0.9
109.06053	1.2
112.03950	10.3
118.03492	7.5
119.01913	5.3
119.03680	0.7
121.06485	5.5
121.10155	0.9
122.06957	0.6
123.03587	0.5
123.04448	19.5
123.05553	65.7
123.08070	67.4
123.09122	2.4
123.11669	11.5
124.03935	42.0
124.05898	2.4
124.07594	3.5
124.08694	20.9
125.06001	0.8
125.07092	0.7
135.05617	0.7
137.02930	3.0
140.03410	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	123.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.1
53.03944	10.5
55.01850	3.0
55.05505	23.0
56.05025	4.1
57.07060	3.4
65.03925	5.8
67.05495	99.4
68.05022	3.5
68.05818	2.9
69.07050	2.5
70.74336	2.4
77.03915	2.0
79.05481	20.2
80.05004	19.7
80.06268	3.3
81.03400	9.3
81.04534	5.1
81.07043	93.5
82.07393	1.9
83.04971	1.4
83.06081	3.4
91.05476	5.0
93.07029	18.3
94.07829	2.2
95.04955	83.9
95.08591	68.1
95.76145	1.0
96.04476	12.1
96.05305	4.0
96.08182	1.1
96.08926	3.2
97.07640	3.8
100.02464	5.1
105.03381	1.2
105.04491	3.0
105.07034	5.5
107.04942	2.2
107.06075	3.3
108.05728	9.1
108.09372	1.2
112.03951	7.7
118.03522	3.0
119.01913	1.6
121.06473	1.2
121.10132	1.0
123.04440	11.7
123.05547	33.4
123.08058	100.0
123.11684	14.4
124.03935	23.8
124.04764	1.1
124.07610	2.0
124.08598	9.2
140.03389	3.9
144.22025	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02358	1.9
53.03942	12.0
54.03465	4.8
55.01862	3.6
55.02973	0.8
55.03793	0.8
55.05505	11.3
56.05030	9.8
57.03423	0.8
57.04539	1.0
57.07064	1.6
58.06572	1.9
58.11334	0.7
59.89164	0.7
65.03941	3.3
66.03446	1.6
67.04225	1.3
67.05497	42.5
67.52867	0.6
68.05019	10.1
68.05822	1.4
69.03406	2.1
69.04530	2.8
69.07056	1.7
69.86712	4.9
70.06568	3.2
77.03905	2.4
78.03428	2.2
79.05019	1.0
79.05481	16.9
80.05009	48.1
80.05753	1.4
81.03416	5.1
81.04533	13.3
81.05308	1.2
81.07047	60.5
82.01431	1.5
82.04851	0.7
82.05288	1.6
82.06563	1.9
82.07373	2.0
83.05657	1.1
83.06093	18.3
91.05470	2.5
93.03387	0.9
93.07030	5.9
93.07935	0.6
94.04163	0.8
94.07877	0.8
95.04956	100.0
95.06029	3.0
95.08589	24.0
96.04480	24.1
96.05282	3.7
96.06397	1.1
96.08106	1.4
97.07648	10.4
100.02474	10.4
101.00897	0.8
101.02535	0.8
103.05450	1.2
105.03394	1.2
105.04511	5.6
105.07012	4.9
106.02916	1.5
107.04945	2.1
107.06063	16.1
108.05719	18.2
112.03950	13.7
118.03508	9.0
119.01900	8.6
123.04459	20.4
123.05563	74.2
123.08078	65.0
123.09146	4.4
123.11671	7.3
124.03938	44.9
124.05927	2.5
124.07616	2.1
124.08690	24.4
137.02896	4.8
140.03412	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0804
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.01604	0.5
51.02376	1.2
51.07276	0.6
53.03936	10.9
54.03467	2.8
54.04286	0.8
55.01863	2.5
55.05503	19.2
56.05022	5.1
57.03428	1.0
57.07065	1.9
65.03930	4.9
66.03431	1.0
67.05495	86.4
68.05022	4.2
68.05838	2.7
69.03403	1.0
69.04577	0.9
69.07050	1.2
70.06577	2.3
70.81268	1.1
70.81671	1.0
77.03924	2.5
77.10458	0.6
78.03445	0.8
79.05482	16.5
80.05005	30.7
80.06260	1.7
81.03404	8.6
81.04531	7.3
81.07043	41.9
82.06570	1.5
82.07391	1.7
82.69297	0.6
83.04955	1.0
83.05643	1.4
83.06092	9.3
87.67900	0.6
88.68551	0.7
91.05461	4.9
93.07030	16.5
93.07578	1.1
94.02905	0.7
95.04954	99.1
95.08590	58.6
96.04487	13.0
96.05296	2.5
96.08131	1.3
96.08920	2.2
97.07643	6.1
100.02464	6.8
103.05476	1.5
104.90520	0.6
105.03355	0.9
105.04507	4.0
105.07017	6.1
106.02892	1.2
106.06599	0.6
106.07330	0.7
107.04954	2.7
107.06053	9.0
108.05737	9.6
112.03960	9.7
118.03516	6.2
119.01905	5.4
121.06500	1.7
123.04440	18.4
123.05551	46.6
123.08063	100.0
123.11678	7.9
124.03933	34.7
124.04748	1.4
124.05895	1.6
124.07555	1.9
124.08651	14.3
137.02943	2.8
140.03387	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	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02371	1.5
53.03940	14.0
53.76271	1.1
54.03456	2.8
55.01862	8.0
55.05503	20.4
56.05019	5.1
57.03410	1.7
65.03915	5.6
65.21550	1.1
65.29457	1.3
67.05495	87.6
68.05009	3.7
68.05823	1.8
69.03423	2.2
69.04528	1.9
71.15032	2.1
71.15368	2.4
77.03899	1.8
79.05484	16.4
80.04527	1.7
80.05000	25.1
80.06255	2.9
81.03411	6.8
81.04522	7.3
81.07042	33.2
82.01389	1.2
82.07364	1.3
83.05713	1.1
83.06091	11.2
91.05466	5.9
93.07033	16.9
95.04954	78.0
95.08589	62.7
96.04484	13.1
96.05288	3.9
96.08134	1.7
96.08916	2.1
97.07639	3.8
100.02464	3.7
103.05437	3.7
105.04482	2.9
105.07001	10.3
107.04926	2.2
107.06078	6.7
108.05722	27.7
112.03942	7.4
118.03527	4.4
119.01884	7.2
123.04427	16.4
123.05540	39.0
123.08056	100.0
123.11672	3.6
124.03938	27.4
124.04771	1.5
124.07694	1.5
124.08710	12.2
137.02965	3.2
140.03397	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	123.0553
Annotation	Picolinamide
Peak:m/z	Relative Intensity
51.02374	0.3
52.51937	0.2
53.03939	1.6
53.14926	0.2
55.01864	3.0
55.05504	0.4
56.96559	0.9
57.03447	0.2
58.06598	0.3
58.99857	0.3
59.52974	0.2
62.58225	0.2
65.03929	1.6
67.05491	5.4
68.05020	0.8
68.05352	0.2
68.66624	0.2
69.65119	1.7
77.00906	0.4
78.03445	1.9
78.06317	0.4
79.04203	0.3
79.05488	0.7
80.05005	44.8
81.03404	0.6
81.04567	0.3
81.05340	0.9
81.07045	0.7
82.01423	1.5
83.06094	0.5
86.48666	0.2
91.05450	0.5
93.07021	0.4
95.04959	6.9
95.06072	0.8
95.08585	0.8
96.04478	14.6
97.07651	0.4
100.02469	10.6
101.00858	2.5
101.02543	0.8
105.04491	0.8
106.02900	2.6
107.03338	0.3
107.06031	0.3
112.03953	0.4
117.10283	0.2
118.03505	8.1
119.01904	22.6
119.03653	0.7
123.04508	4.3
123.05530	100.0
124.03929	3.7
124.04801	0.3
124.04982	0.3
124.05873	2.7
124.08670	0.6
133.25928	0.2
136.04515	0.3
137.02937	11.4
138.10051	0.2
141.05028	0.3
142.03484	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01866	1.4
55.05495	0.3
56.96552	1.8
57.03422	1.9
58.06586	0.3
58.99849	1.8
61.02920	0.5
65.03923	0.6
65.52178	0.3
67.05499	2.3
68.05017	0.4
69.03415	0.7
69.60079	2.1
70.99841	0.8
73.02903	0.7
77.00894	2.4
78.03436	1.0
78.52943	0.6
79.05450	0.5
79.51892	0.3
80.05000	8.6
81.01896	0.3
81.03420	1.3
82.01423	7.2
82.01886	0.4
82.02677	0.3
82.99827	1.1
83.01491	0.4
85.02881	0.7
85.53721	0.3
86.03671	0.3
86.52690	0.3
87.53487	0.2
88.00023	0.3
88.02679	0.8
88.53301	0.3
89.00877	0.7
91.05466	0.3
95.01926	0.4
95.04948	8.0
95.08619	0.3
96.02361	0.3
96.04484	4.3
97.02876	0.6
98.97549	1.4
100.02467	44.1
101.00859	15.6
101.02534	3.4
101.03451	0.4
102.02339	0.3
103.02420	1.0
105.04497	0.5
106.02850	1.0
109.02856	0.3
111.02906	0.7
115.02404	0.7
116.98615	0.8
118.01159	1.3
118.02611	0.5
118.03499	28.8
119.01898	100.0
119.03607	2.9
120.02051	0.4
121.01564	0.4
121.02306	0.4
121.03485	0.4
123.04354	2.6
123.05526	10.0
123.08001	0.3
124.02448	0.7
124.03928	21.6
124.05847	0.6
124.07490	0.3
131.01880	1.9
133.03448	0.9
134.99623	0.3
136.04530	1.4
137.02933	41.2
141.05055	1.0
142.03473	7.4
143.03627	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	123.0553
Annotation	Picolinamide
Peak:m/z	Relative Intensity
51.02374	0.4
53.03943	1.6
55.01864	2.2
55.05500	0.3
56.96561	0.5
57.03428	3.1
58.99850	1.6
61.02914	1.1
65.03925	0.6
67.05493	3.2
68.02636	0.8
68.05016	0.9
69.01948	0.3
69.03423	2.1
70.01923	0.9
70.02328	0.8
70.99847	1.0
73.02897	1.1
75.01902	0.3
75.61331	0.3
77.00894	2.3
78.03440	11.6
78.52943	1.1
79.04223	0.4
80.05003	48.3
80.52710	0.5
81.01898	0.6
81.03407	3.0
81.05324	0.5
82.01431	5.9
82.99829	0.6
83.01519	0.4
85.02895	1.1
85.53737	0.6
86.03696	0.3
86.52699	0.6
87.53453	0.6
88.02666	1.3
89.00841	0.5
90.02410	0.5
93.01913	0.4
93.07054	0.5
93.53475	0.4
95.01911	0.7
95.04951	4.5
95.08594	0.9
96.02393	0.4
96.04475	20.1
97.02867	1.4
98.52675	0.6
100.02466	38.4
101.00861	9.4
101.02541	2.4
102.00909	0.4
102.02342	1.3
104.52657	0.3
105.04506	0.8
106.02898	22.1
107.01898	0.3
107.03262	0.6
109.02859	0.8
111.02922	0.9
113.00836	0.5
115.02399	0.8
118.01169	1.6
118.03503	24.5
119.01899	55.6
119.03590	2.4
120.02018	0.5
120.03319	0.6
121.01662	1.0
123.05528	100.0
124.03930	41.5
131.01895	3.3
132.01944	0.5
133.03427	1.2
136.02161	0.3
136.04539	0.6
137.02936	21.5
138.03056	0.3
141.02727	0.7
141.05070	1.0
142.03464	5.1
142.05190	0.3
143.01889	0.6
143.03586	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
53.90018	0.4
55.01864	1.6
56.23464	0.5
56.96560	1.3
57.03428	5.8
58.99849	4.1
61.02916	1.9
65.52161	0.6
67.05494	1.0
68.02644	1.0
69.01920	0.8
69.03415	4.3
70.62828	1.5
70.99850	1.3
73.02908	2.4
77.00892	3.5
78.03441	4.5
78.06313	0.5
78.52936	1.9
79.02974	0.8
80.05005	17.5
80.52715	0.5
81.01902	0.9
81.03393	3.3
82.00934	0.7
82.01426	14.0
82.99817	1.2
83.01499	0.9
84.52935	0.4
85.02872	2.3
86.03680	0.6
86.52707	0.9
87.53490	0.6
88.02656	4.7
88.52723	0.6
89.00872	1.1
90.02406	0.7
90.52944	0.5
92.52699	0.5
93.01910	1.0
93.53501	0.7
94.55988	0.5
95.01931	1.2
95.04958	1.6
96.04482	6.5
97.02843	2.1
97.62393	0.4
98.21444	0.5
99.53432	0.9
100.00114	1.3
100.02465	67.0
101.00865	21.5
101.02543	4.7
102.00970	0.9
102.02337	1.8
106.02894	6.7
109.02863	1.5
111.02923	1.4
113.00847	1.2
115.02422	1.8
118.01141	2.9
118.02617	0.8
118.02868	0.7
118.03500	40.1
119.01898	100.0
119.03583	4.2
120.02002	1.3
120.03294	1.0
121.01617	1.1
123.04075	1.9
123.05527	33.9
124.02437	1.5
124.03929	9.7
124.05880	0.8
131.01883	6.5
132.01984	1.3
132.05077	0.5
133.01677	0.8
133.03435	1.6
134.03523	0.5
137.02931	34.1
141.02704	1.3
141.05045	1.1
142.03473	7.7
143.01895	0.8
143.03600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02371	1.7
53.03939	8.7
54.03458	2.5
55.01854	1.5
55.05518	3.2
55.12003	0.5
65.03937	4.7
67.05488	2.0
70.06597	0.8
71.70829	0.9
77.03908	2.0
77.97356	0.5
79.05481	44.1
80.05814	1.3
81.03422	1.3
81.04530	6.9
81.07043	1.2
82.05318	5.1
91.05470	25.8
92.05792	1.4
93.03384	0.8
93.07031	33.5
94.04161	1.0
94.06555	1.3
94.07342	1.0
95.04951	16.6
95.06058	2.1
103.05454	19.7
104.05701	0.7
105.04533	4.6
105.07013	100.0
106.07275	2.7
106.07916	6.8
107.04934	2.5
107.07351	1.0
111.04427	0.9
112.53703	0.5
119.08562	14.5
120.08910	0.8
121.02860	4.7
121.03992	2.0
121.06503	9.4
121.10126	48.7
122.06113	1.7
122.07133	29.2
122.09678	1.2
122.10464	3.5
123.08053	13.1
133.07599	5.6
138.06776	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73871	0.5
55.52526	0.4
57.03434	0.5
58.99858	1.2
70.37833	1.2
78.90246	0.5
82.01431	10.5
82.99834	1.0
83.01486	1.1
100.02470	50.6
101.00864	21.0
101.02551	2.5
118.03503	26.7
119.01904	100.0
119.03666	2.0
121.02320	0.7
123.04021	1.1
124.02367	0.6
136.04526	0.9
137.02940	33.9
141.05043	0.7
142.03487	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	121.1012
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02374	2.0
51.82912	0.7
53.03940	18.2
54.03468	4.3
55.01861	2.1
55.05502	8.5
65.03931	8.7
67.05499	4.4
68.05010	1.7
69.68385	1.7
69.68810	3.6
70.06571	1.5
77.03915	2.5
78.04691	0.8
79.05485	73.8
80.05817	2.0
80.06259	0.8
81.03391	2.1
81.04534	10.5
81.05813	0.8
81.07047	4.3
82.05308	8.0
91.05472	49.0
92.05820	2.3
93.07034	87.4
94.06583	1.7
94.07353	4.3
95.04958	30.8
95.06082	3.1
96.05319	0.9
98.21420	1.4
103.04760	0.8
103.05459	23.9
105.04530	7.6
105.07018	100.0
106.07886	7.8
107.07378	1.5
107.33576	0.7
111.04436	2.5
116.39297	0.7
117.45847	0.7
119.08569	15.9
120.05585	0.8
120.08901	0.7
121.02869	8.0
121.03933	3.6
121.06500	17.5
121.07507	1.2
121.07655	1.1
121.10130	51.4
122.06053	2.7
122.07135	38.7
122.09628	2.1
122.10477	2.9
123.08057	12.3
130.37915	0.7
133.07619	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	121.1012
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01608	0.9
50.72386	0.7
51.02368	1.6
52.26698	0.8
53.03708	1.0
53.03940	12.4
55.01852	1.3
55.05506	8.1
56.91106	0.7
57.01146	0.6
65.03931	10.5
67.05481	3.1
69.61465	5.8
72.15260	0.7
77.03919	1.5
79.05485	36.2
80.05000	1.0
80.06269	0.9
81.03402	1.3
81.07063	4.6
91.05470	46.9
92.05793	1.4
93.03375	1.1
93.07033	100.0
94.06542	1.8
94.07379	4.9
95.04959	22.6
96.05276	1.2
98.20699	1.0
103.05458	9.2
104.05778	0.9
105.03413	0.9
105.04510	5.4
105.07017	35.2
106.07811	3.0
107.07335	1.9
111.04430	3.0
112.03945	1.3
118.51974	0.7
119.08548	5.3
121.02863	10.8
121.03971	3.6
121.06536	5.3
121.07268	0.7
121.07681	0.8
121.09263	1.3
121.10128	22.5
122.06038	3.7
122.07148	2.2
122.09655	4.7
122.10447	1.6
123.08048	3.6
126.35219	0.7
133.07578	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.9
53.03939	12.9
54.03465	2.6
54.04272	0.7
55.01873	1.2
55.05502	4.6
62.35229	0.7
62.77996	0.7
65.03932	5.4
67.05491	2.9
69.55518	6.4
77.03922	2.0
78.04720	0.8
78.66560	0.7
79.05482	53.3
80.05808	0.8
81.03422	1.4
81.04525	4.8
81.07033	2.4
82.05314	4.8
82.30249	0.8
85.60211	0.7
91.05466	34.6
92.05786	2.0
92.72804	0.7
93.07029	53.8
94.06535	1.2
94.07344	2.5
95.04954	23.7
95.06065	2.7
98.82388	0.7
103.05453	23.7
104.14606	0.6
105.04535	6.6
105.07014	100.0
106.07226	1.6
106.07899	7.6
107.07346	0.7
111.04427	2.0
119.08564	14.3
120.05569	0.9
120.08906	0.7
121.02843	5.7
121.03971	2.1
121.05142	1.0
121.06509	10.8
121.10125	44.6
122.06129	1.4
122.07134	26.7
122.09634	2.1
122.10460	3.4
123.07236	1.3
123.08051	13.5
133.07617	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	121.1012
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.17874	0.4
51.02373	1.4
52.52320	0.5
53.03939	8.2
54.03468	1.3
55.01855	1.4
55.05495	1.6
65.03939	4.5
67.05499	1.4
70.76846	1.6
70.77219	0.9
77.03912	1.6
79.05483	43.7
80.04996	1.3
80.05799	1.2
80.58449	0.5
81.03402	0.8
81.04530	2.2
81.07026	0.8
82.05310	2.1
91.05470	23.6
92.05812	1.5
93.07034	22.5
94.06554	1.3
94.07375	1.0
95.04958	18.0
96.05269	1.0
103.05457	23.8
104.05755	1.0
105.04536	4.0
105.07017	100.0
106.07283	2.8
106.07916	6.6
107.07317	2.0
111.04434	1.2
112.03939	1.0
119.08565	14.5
121.02852	4.7
121.03967	1.8
121.06509	13.5
121.07441	0.9
121.10129	45.0
122.06039	4.2
122.07131	11.4
122.09644	3.0
122.10476	2.8
123.08047	12.0
124.08368	0.8
133.07605	5.6
138.06773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01591	1.0
51.02362	1.5
53.03704	1.2
53.03937	13.7
54.03452	3.2
55.01846	2.2
55.02086	0.8
55.05508	7.0
63.10556	0.8
65.03671	0.8
65.03936	9.1
67.05500	8.0
68.05004	0.8
70.38575	0.8
70.67732	3.4
77.03920	1.5
79.05480	66.4
80.05823	2.1
81.03400	1.2
81.04533	8.4
81.07047	2.5
82.05318	8.1
91.05465	40.7
91.06042	2.0
92.05810	2.5
93.07029	75.5
94.04124	1.0
94.06549	2.7
94.07362	3.0
95.04953	23.6
95.06033	4.5
103.05448	23.5
104.05788	1.4
105.04493	6.4
105.07012	100.0
106.07285	2.8
106.07803	4.1
107.04922	1.4
107.07302	2.4
111.04445	2.5
119.08573	15.6
121.02844	9.3
121.03965	2.6
121.06487	14.8
121.07513	1.2
121.10122	52.0
122.06100	2.0
122.07134	34.5
122.09637	4.3
122.10429	2.0
123.08046	11.9
133.07590	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	121.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.3
53.03938	13.0
54.03476	4.4
55.01866	1.6
55.05505	4.7
65.03934	5.9
67.05504	4.3
68.05006	1.4
71.25062	1.8
71.25418	0.9
77.03918	3.2
79.05479	55.8
80.05000	0.8
80.05819	1.4
81.03400	1.8
81.04529	10.3
81.07030	2.5
82.05307	9.6
87.96921	0.8
91.05466	36.0
91.06044	1.7
92.05782	1.1
93.07024	54.8
94.06543	2.4
94.07376	1.9
95.04951	22.0
95.06056	5.9
96.05274	1.2
97.99261	1.0
98.16382	0.8
103.05450	21.2
103.06094	1.6
104.05769	1.2
105.04504	4.6
105.07012	100.0
106.07229	2.1
106.07913	6.3
107.07300	2.6
110.47172	0.9
111.04439	2.0
119.08553	15.4
120.68311	0.8
121.02856	4.5
121.03964	1.9
121.06482	11.9
121.07684	1.7
121.10123	48.2
122.06050	2.5
122.07134	36.7
122.09624	2.4
122.10431	2.1
123.08048	12.9
133.07588	4.9
133.65208	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	3.7
53.03937	36.3
55.01862	15.2
65.03931	5.1
67.63833	1.2
68.04995	1.2
71.15108	2.6
77.03905	7.5
78.04681	2.5
79.05485	8.9
81.03397	8.2
81.04533	1.5
82.05300	3.4
87.98231	1.3
91.05465	100.0
92.05795	3.0
93.07030	58.7
94.07355	2.4
95.04950	62.8
95.06056	2.6
96.05284	2.6
103.05453	22.2
105.04498	12.9
105.06979	3.3
121.02828	4.1
121.06486	57.7
122.06036	1.6
122.07058	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	121.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01572	0.9
51.02370	5.0
53.03939	33.6
54.03469	1.5
55.01867	14.9
55.05491	1.0
59.74324	0.7
65.03925	5.5
67.05481	1.2
71.14839	1.7
77.03897	5.5
78.04691	2.8
79.05481	14.1
81.03405	10.2
81.04515	2.2
82.05320	4.2
91.05467	100.0
92.05796	3.3
92.52901	0.8
93.03357	1.0
93.07029	66.0
94.06570	0.9
94.07372	2.4
95.04955	58.2
95.06071	3.3
96.05248	2.1
103.05449	24.2
104.05786	1.2
105.04494	13.2
105.07030	4.8
106.99884	0.8
119.08499	0.9
121.02868	4.4
121.04031	2.0
121.06490	54.4
121.10119	4.8
122.06018	1.0
122.07134	9.6
139.16881	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0648
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01584	1.0
51.02367	3.6
53.03940	32.0
54.04268	0.7
55.01862	17.0
64.19556	0.6
65.03923	5.0
67.03017	0.6
69.89245	3.5
69.89653	1.2
74.14986	0.5
76.90398	0.6
77.03910	6.7
77.92064	0.5
78.04688	2.6
79.05473	12.9
81.03407	10.1
81.04501	1.2
82.05300	1.0
82.08576	0.6
91.05467	100.0
92.05790	3.2
93.07030	62.5
94.04154	1.1
94.06526	0.8
94.07371	2.8
95.04954	63.7
95.05966	1.6
96.05286	1.4
99.35538	0.5
99.44453	0.5
103.05448	24.0
104.05802	0.9
105.04498	13.5
105.07004	2.3
121.02860	2.1
121.06489	57.9
121.10131	1.2
122.06004	1.0
122.07032	3.4
125.63911	0.6
127.84162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0648
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02370	4.5
53.03939	33.1
54.04262	1.0
55.01864	15.2
65.03931	4.7
70.94678	3.1
77.03924	7.5
78.04726	2.3
79.05468	11.0
81.03416	9.4
81.04530	1.6
82.05309	2.1
91.05464	100.0
92.05791	3.1
93.07029	62.9
94.07354	2.2
95.04955	64.0
95.06017	2.7
96.05264	1.4
103.05451	25.8
105.04485	13.1
105.07028	0.9
121.02863	2.9
121.06487	55.7
122.07090	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	121.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	2.6
53.03941	20.5
54.03459	9.1
55.01856	5.5
55.05505	11.1
56.96544	1.4
57.94153	0.9
65.03932	57.4
66.04247	2.1
67.02966	2.1
67.05500	27.1
68.05007	4.3
71.70274	2.3
77.03928	2.8
78.03446	1.4
78.04680	1.0
79.05483	70.3
80.04992	3.7
80.05788	1.3
81.03411	2.2
81.04528	15.9
81.05789	2.7
81.07049	1.4
82.05310	22.9
91.05467	53.5
93.03397	7.9
93.07031	100.0
94.02922	1.2
94.06566	5.3
94.07341	2.8
95.04955	36.0
95.06061	15.8
98.03668	1.2
103.05455	16.7
104.04994	1.3
104.05743	1.1
105.04500	10.4
105.06342	1.4
105.07018	27.0
106.07780	3.2
107.07334	2.2
111.04427	12.4
112.03940	1.3
112.04728	1.1
119.08548	3.0
120.05566	2.0
121.02840	65.1
121.03954	13.5
121.06505	32.4
121.07568	4.5
121.10128	29.7
122.03194	3.0
122.06045	5.5
122.07138	57.3
122.09615	3.2
123.08034	3.3
133.07588	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0855
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03931	3.1
59.06118	4.8
60.04507	1.1
63.49066	0.6
65.03928	5.4
65.89184	0.6
67.05502	0.9
70.96128	1.6
73.75883	0.6
74.06064	0.9
78.04694	2.2
79.05479	7.4
87.05583	0.9
91.05464	100.0
92.05005	0.6
92.05785	3.4
93.07029	4.5
95.04959	4.5
96.05304	1.0
102.04704	0.8
103.05454	13.5
104.06232	12.8
105.04518	1.1
109.06506	0.6
110.79469	0.6
115.05449	6.2
117.06999	25.2
119.04924	3.4
119.06058	2.1
119.08560	79.8
120.04498	0.6
120.05577	1.4
120.08084	1.4
120.08907	2.8
121.06529	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.9
55.01856	1.7
55.05501	1.2
56.05040	1.0
61.53061	0.9
65.03928	9.0
66.04259	1.9
67.05487	1.2
71.39375	1.7
77.03911	1.3
79.05482	17.4
81.03387	1.1
83.02992	0.7
91.05464	29.0
92.04980	2.2
92.05796	16.9
93.04520	1.1
93.07030	35.8
94.06540	1.3
94.07347	1.4
95.04948	14.7
98.20750	0.9
103.05450	94.6
104.05773	5.8
105.04504	3.1
105.07019	23.8
106.07797	1.2
111.04413	2.8
118.06515	2.3
118.07334	1.2
119.07263	1.6
119.08572	2.7
120.04432	2.1
120.05479	7.0
120.08085	100.0
120.08839	5.9
121.02846	7.7
121.03956	2.9
121.06483	8.9
121.07642	1.1
121.08417	4.5
121.10112	10.7
123.08009	1.2
124.26317	0.8
133.07593	1.5
134.88287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.4
53.03938	1.1
56.05001	0.3
59.06106	0.8
63.02366	0.3
65.03931	14.6
67.05505	0.3
78.04698	0.7
79.05482	2.3
91.05467	100.0
92.04983	0.9
92.05807	4.3
93.07027	1.9
95.04942	2.1
96.05286	1.0
102.04631	0.4
103.05455	4.5
104.05665	0.3
104.06247	3.5
105.04479	0.4
109.06525	0.5
115.05437	2.1
117.07008	8.1
118.07338	0.4
119.04925	18.1
119.06055	1.1
119.06838	1.1
119.08561	25.2
120.04441	0.8
120.05479	2.6
120.08084	1.1
120.08907	1.3
130.16992	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0855
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02359	0.6
53.03936	3.5
62.36554	0.6
65.03927	7.3
67.05466	0.7
69.68181	4.7
69.68513	0.5
77.03912	0.9
78.04687	1.4
79.05485	8.5
91.05464	100.0
92.05007	0.6
92.05794	2.5
93.07017	5.0
95.04959	3.5
96.05281	1.5
102.28854	0.6
103.05447	10.5
104.06231	11.1
109.06478	2.6
115.05457	5.2
117.06174	1.2
117.07003	22.0
118.07348	0.9
119.04913	5.2
119.06053	2.2
119.06808	1.5
119.08560	73.1
120.04340	0.6
120.05554	0.8
120.08113	1.0
120.08899	3.0
121.06503	1.1
139.17145	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0652
Annotation	3H-Indole
Peak:m/z	Relative Intensity
50.01590	2.8
51.02354	6.7
53.03939	49.9
54.04251	2.0
55.01852	3.0
58.06584	2.1
59.07384	1.7
65.03922	4.9
69.95081	6.6
69.95489	4.2
70.52141	1.6
72.08131	4.9
76.93364	10.0
77.03912	5.6
79.05456	3.4
81.03394	5.0
91.05466	100.0
93.07036	3.0
94.94389	2.8
95.04958	85.6
98.20698	2.3
103.05447	8.2
104.06235	6.8
105.04496	17.4
109.06474	1.6
115.05424	4.4
117.07009	12.6
118.06525	73.3
118.08625	5.2
119.04946	5.7
119.06012	3.4
119.06818	3.4
119.08569	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0865
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03933	1.1
55.05504	12.0
56.05032	1.5
56.05836	0.5
56.96558	1.2
57.05807	0.8
58.06592	40.4
59.04990	1.1
59.06107	2.2
59.06903	1.2
59.07375	38.2
60.04521	1.5
60.05323	0.4
60.06443	0.5
65.03925	0.4
69.03415	1.8
69.07041	0.5
69.77157	0.9
69.77565	1.8
70.06580	1.3
72.08145	60.3
73.08485	1.7
74.06064	0.8
76.07642	0.6
77.07975	0.7
80.62207	0.3
82.06562	1.0
84.08118	0.5
91.05476	4.2
94.54240	0.5
95.04958	1.4
98.21420	0.8
100.02474	3.3
100.07600	1.1
102.02213	0.5
103.54768	0.7
104.54691	0.4
106.05035	1.9
106.55119	0.4
112.07610	2.6
115.05561	0.6
118.03478	1.8
118.08640	100.0
119.01885	1.1
119.04951	1.0
119.09015	2.1
120.03231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47167	3.6
53.03942	3.9
55.01849	3.3
55.05492	3.8
56.06720	3.4
56.96551	6.8
59.06103	11.6
59.66975	2.9
65.03913	3.6
67.05500	16.7
69.03429	24.1
70.07786	16.9
78.44762	3.3
78.52953	6.9
80.02927	4.4
80.06261	7.6
82.01425	8.2
87.53456	7.8
91.05474	27.5
93.07009	5.0
95.04945	4.7
98.21532	5.0
100.02464	35.8
101.00882	20.0
101.02552	6.7
103.02429	12.4
106.36622	3.7
107.05263	7.7
111.04475	3.4
116.05772	14.5
118.03500	22.7
119.01908	100.0
119.08584	3.5
120.01997	5.1
121.03442	12.6
129.03958	7.2
133.03465	4.6
137.02950	42.6
138.03082	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	119.0491
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03930	2.0
59.06105	0.4
64.14415	0.3
65.03928	15.0
70.74628	0.7
70.74989	0.7
74.29710	0.3
77.03512	0.4
77.03912	0.6
78.04685	0.4
78.09968	0.3
79.05479	3.5
91.05463	100.0
92.04993	0.7
92.05785	3.3
92.06245	0.3
93.07021	4.4
95.04955	2.6
96.05298	0.8
103.05448	16.1
104.06245	4.9
105.04494	0.5
109.06538	0.4
115.05441	2.7
117.06992	11.5
118.06535	0.4
118.07280	0.5
119.04926	20.0
119.06004	1.3
119.06852	1.3
119.08559	30.3
120.04438	0.6
120.05503	1.4
120.08092	14.1
120.08891	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.5
58.06597	0.6
59.06122	4.2
59.07361	0.6
62.01564	0.6
63.02368	19.4
64.02679	0.8
69.03419	1.6
69.54688	1.8
69.55109	4.1
71.04966	0.9
72.08147	1.1
75.05591	1.7
76.93362	0.8
77.03909	1.2
79.05480	0.6
81.03397	1.4
89.03905	100.0
90.04224	4.0
91.05454	5.9
95.04948	14.1
105.04507	2.3
115.05439	11.2
117.03370	3.9
117.06990	11.3
118.04182	0.7
118.06531	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	118.0651
Annotation	Indole
Peak:m/z	Relative Intensity
50.01596	1.3
51.02369	7.0
53.03937	51.4
55.01841	2.2
57.27599	1.2
59.06112	2.3
65.03925	4.2
69.70041	3.5
69.70464	4.7
72.08157	1.3
76.93344	1.4
77.03904	9.9
79.05468	2.8
81.03404	4.9
82.98418	1.3
91.05464	49.6
93.06970	1.7
95.04948	100.0
96.05288	3.2
103.05437	4.3
104.06249	3.4
105.04498	19.5
115.05448	2.9
116.05750	1.3
117.06995	10.6
118.06522	76.8
119.04926	3.0
119.06827	2.0
119.08553	28.3
119.09399	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
78.80324	0.1
90.48797	0.1
98.20730	0.2
100.23238	0.1
108.58427	0.1
135.81454	0.1
141.83363	0.1
214.48465	0.1
311.25885	0.3
396.12170	0.4
397.12912	1.1
398.13733	0.5
399.14642	0.3
400.15564	0.1
409.12738	0.4
410.13696	1.4
411.14435	3.9
412.15201	2.7
413.16025	1.7
414.16370	0.3
422.14127	0.1
423.14883	1.1
424.11072	0.8
424.16202	1.8
425.16275	7.5
426.16879	5.2
427.17627	1.7
428.13702	0.1
428.18472	1.2
429.15976	0.1
430.16116	0.1
436.15430	0.3
437.11798	0.4
437.16187	0.7
438.12039	1.9
438.17523	0.8
439.13480	10.9
440.13736	0.8
440.19012	4.5
441.19241	27.6
442.13940	0.2
442.19550	2.6
443.16901	0.2
444.18515	0.2
450.17273	0.2
451.13699	0.5
451.17990	0.5
452.14014	2.2
453.15216	11.9
454.15771	3.8
455.16681	0.4
456.13193	0.2
456.18854	0.3
457.15002	0.5
458.15234	0.5
459.20593	0.2
463.13876	0.7
464.14725	0.4
465.15665	0.7
466.12222	0.4
466.17715	0.6
467.17130	21.2
468.17819	10.8
469.18744	10.1
470.19431	0.8
471.16794	0.6
472.17285	0.7
477.15384	0.2
478.15854	0.5
479.17133	0.3
480.17395	0.9
481.14719	12.0
482.15213	2.9
483.15994	0.3
484.17410	0.3
485.18784	0.5
486.18982	0.5
487.19373	0.3
493.15704	0.3
494.16339	0.5
495.16159	6.2
496.17053	12.1
497.17880	3.1
498.19681	0.7
499.19797	0.8
500.20316	0.4
508.19504	0.8
509.18222	2.4
510.19193	0.5
511.16119	0.2
511.20282	0.1
512.20874	0.8
513.20984	0.4
514.22534	2.5
522.17499	0.7
523.19751	1.5
524.19843	0.5
525.17267	0.5
526.18530	0.3
527.23291	2.8
528.23419	0.5
536.18988	0.5
537.19556	0.7
538.18506	0.2
539.19073	0.3
540.19971	0.7
541.20679	0.2
542.21570	0.9
545.24158	0.4
551.19135	0.3
554.21936	0.3
555.22339	24.4
556.22638	2.4
567.18414	0.1
568.18921	0.5
569.20654	0.2
573.23804	0.4
574.23523	0.1
582.21368	0.2
583.21802	73.3
584.22058	7.0
585.21069	0.2
586.20087	0.6
587.25098	1.4
599.21161	0.2
600.21655	0.2
611.21130	2.0
614.23621	0.9
615.24408	6.3
616.24725	0.6
628.20703	0.2
642.23114	6.3
643.23816	100.0
644.24060	7.7
694.85138	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	115.0755
Annotation	trans-2-Hexenoic acid
Peak:m/z	Relative Intensity
53.00280	1.0
53.03939	5.4
54.03463	3.3
55.01865	19.1
55.05501	12.6
56.03768	5.5
56.05028	22.4
56.96555	2.2
57.03431	14.0
57.04555	5.9
57.93555	4.1
58.02958	4.3
58.06584	3.3
59.03736	19.2
59.04992	31.4
59.06115	5.5
60.04522	5.5
66.66257	0.7
67.02969	1.3
67.05492	6.8
68.05019	2.2
69.03419	14.5
69.04543	7.9
69.07058	100.0
70.02944	4.0
70.05322	2.1
70.06581	50.7
70.07374	4.7
70.87989	1.5
70.88351	1.4
71.01339	1.2
71.03735	0.6
71.04985	3.2
71.06106	1.0
71.06889	0.8
72.04499	2.6
72.08145	8.0
72.93770	6.0
73.02911	4.0
73.04041	1.4
73.06544	18.9
73.07666	16.7
73.08460	0.7
73.93828	4.3
74.02440	1.2
74.04819	2.8
74.06075	7.7
74.93819	22.0
75.04479	1.1
75.05148	3.0
75.05576	1.9
79.05480	17.4
79.56355	0.7
80.05006	3.2
80.05824	2.7
81.03400	0.7
82.05306	9.4
85.02895	2.4
85.04018	4.1
85.07664	1.5
86.06055	1.5
87.00813	3.5
87.04454	27.5
87.05560	4.5
87.06382	0.8
87.09220	1.9
88.03969	1.3
88.07628	2.4
89.03893	1.7
90.94825	2.2
91.94828	1.9
92.02619	2.2
92.94845	9.4
93.01019	2.6
95.04919	1.7
97.02887	5.8
97.03986	3.9
97.06518	47.9
97.07631	7.7
97.08324	1.2
98.04826	4.4
98.06042	9.6
98.06765	1.2
98.07037	1.2
98.09644	1.5
99.05586	3.0
99.07971	1.6
105.04488	0.8
107.00770	1.3
108.95821	0.8
109.95894	0.9
110.95889	3.1
113.88129	0.7
114.66655	0.7
115.03918	44.2
115.05436	10.3
115.06851	1.0
115.07671	4.2
115.08672	8.8
115.09491	13.5
115.12282	0.9
115.96432	3.0
116.01263	2.8
116.04256	1.6
116.06319	1.2
116.07050	4.0
116.08212	4.9
116.97216	1.5
121.63927	0.8
122.98024	0.8
128.66685	0.7
133.97421	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0806
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
53.03941	6.4
54.03452	1.5
55.01641	1.1
55.01867	15.6
55.05503	32.1
56.05037	5.3
57.03419	1.1
62.78309	0.8
65.03936	4.2
67.04269	0.8
67.05496	6.4
68.05019	9.2
69.03419	14.0
69.04530	1.9
69.07057	6.6
69.99763	2.0
70.00180	2.7
70.06582	64.0
70.94257	2.4
71.06095	1.1
71.06969	1.3
71.07356	7.2
81.07036	4.3
82.06556	1.2
83.04969	12.6
83.06092	5.0
83.06902	1.0
83.08607	5.6
84.04482	1.5
84.08126	5.8
85.07639	2.1
88.00462	3.5
89.00222	0.9
91.05463	13.5
93.03399	2.5
93.07029	26.7
94.02933	0.9
94.06546	10.1
95.04948	8.8
95.06072	1.6
96.05712	1.8
96.06862	9.3
97.01003	3.9
98.00748	2.3
105.04520	1.8
110.07137	2.4
111.04429	29.9
111.05563	8.1
111.06319	1.4
111.08067	88.1
111.09190	100.0
112.03964	3.9
112.07621	9.6
112.08671	8.6
112.09516	2.7
115.96426	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	111.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.5
54.03463	6.3
55.05500	18.7
56.05028	7.0
57.34073	1.1
58.06585	6.4
59.06129	1.2
67.02944	1.2
67.05479	2.9
68.05019	13.6
69.04528	3.6
69.07055	59.1
70.04076	1.5
70.06580	85.6
70.83994	3.9
71.06103	15.3
71.07351	4.4
71.37877	1.2
72.70551	1.1
82.05299	1.6
82.06573	2.4
83.06102	5.4
84.08133	6.9
85.07655	12.0
87.00440	1.7
88.00466	6.8
88.96837	1.3
89.00252	2.3
91.10498	1.2
94.06551	8.7
95.06076	13.2
96.05596	2.1
96.06848	7.5
97.00996	10.5
97.06366	3.0
97.07130	1.1
98.00746	2.4
99.51266	3.5
100.50996	1.5
108.51752	1.9
110.07154	6.9
111.04385	2.2
111.05538	3.0
111.06694	3.5
111.07388	6.9
111.09184	100.0
112.03934	1.3
112.05017	1.6
112.08710	88.3
112.09409	3.2
115.96421	3.3
116.97173	1.6
117.95944	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1113.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04684	0.5
79.05452	0.3
81.03394	1.0
82.16964	0.1
83.04910	0.1
85.02885	2.8
86.11999	0.1
89.03893	9.5
91.05444	0.9
93.07007	0.3
95.04942	0.4
97.02866	5.3
99.04425	0.2
101.02358	0.3
103.05421	0.5
105.03349	0.5
106.04162	0.2
107.04913	0.7
109.02844	0.5
109.06439	0.2
111.04411	0.2
115.05393	0.2
117.03349	16.3
118.03686	0.1
119.04848	0.2
121.06463	0.5
122.03634	0.3
123.04414	0.4
125.05962	0.3
127.03872	0.5
129.05441	0.4
133.02820	1.3
134.03584	1.5
135.04385	4.0
136.05121	0.2
137.02322	0.1
137.05939	3.9
143.04907	0.2
145.02809	40.4
146.03139	0.6
147.04352	0.3
149.05937	6.0
150.06728	5.6
151.03816	0.2
151.07553	0.6
152.74768	0.1
153.01787	10.6
153.05414	2.9
157.06433	0.3
158.05980	0.4
162.03105	0.3
163.03844	1.5
163.07544	0.1
165.05484	0.8
165.06750	0.2
166.06165	0.1
167.06981	0.4
168.07791	1.4
177.05421	72.8
178.05779	1.1
179.07062	0.1
186.05447	1.4
191.07031	0.2
195.06490	1.7
195.08080	0.2
197.05998	0.2
201.05421	0.2
203.03294	0.2
219.06346	0.1
221.05774	0.2
223.07448	0.3
227.07018	0.2
229.04893	1.4
239.06972	0.4
242.05676	5.1
243.06342	0.4
251.06973	0.4
253.04976	0.2
255.06406	0.7
256.07190	0.2
257.04391	5.2
258.05127	0.6
265.08640	0.2
266.05707	0.4
267.06461	0.7
268.07208	0.2
269.04263	0.6
270.05173	2.8
271.05930	2.5
279.08801	0.3
281.04465	0.6
281.07904	0.2
282.05106	0.2
283.05930	1.9
283.09171	0.2
284.06625	0.6
285.03854	4.7
286.04666	2.2
287.05420	4.9
287.08722	0.2
288.05875	0.2
295.05939	3.2
296.06494	0.2
297.04074	0.2
297.07343	0.2
298.18732	0.1
299.05402	0.3
305.10492	0.2
307.05927	0.3
308.06683	0.5
309.07407	1.4
319.05930	0.2
321.07101	0.6
321.09698	1.2
322.08298	0.5
323.08606	0.2
323.11365	0.3
332.06638	0.2
333.07498	0.5
335.05322	0.3
335.09195	0.2
337.06973	0.6
339.10666	20.8
340.11060	0.4
346.08569	0.1
347.09067	1.1
349.06848	0.6
351.08453	0.5
357.07477	0.2
359.09268	0.2
360.06213	1.1
361.06866	1.5
363.08209	0.2
374.07764	0.3
375.08551	7.0
376.09113	0.3
377.06525	0.5
379.08005	6.0
385.07169	0.3
388.05426	0.7
389.06427	1.2
389.10068	0.2
390.07166	0.5
391.08023	0.7
392.04993	0.2
393.09708	0.1
403.08020	5.2
404.08328	0.4
405.05948	0.4
407.07477	15.0
408.07959	0.7
417.09512	0.5
419.07538	2.4
420.08240	1.5
421.08966	0.1
435.10672	14.6
436.10941	0.8
438.09384	2.7
453.11682	100.0
454.12045	3.4
465.11783	0.4
477.11777	0.2
495.12769	1.1
519.12823	0.3
543.12885	0.1
557.10449	0.2
563.15387	0.6
581.16510	0.5
599.17725	0.6
615.15631	0.2
629.14838	72.8
630.05176	0.2
630.15125	2.9
671.16278	0.3
671.55780	0.1
739.18127	0.2
773.18701	0.2
775.20764	0.8
791.21008	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	110.9757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.8
54.03458	1.4
55.01874	6.7
55.05504	60.7
56.05034	7.9
56.96557	72.2
57.03423	1.2
65.03932	31.6
67.05496	14.7
68.02633	2.5
68.05031	9.2
68.99786	1.5
69.03421	17.7
69.04527	1.2
69.07046	2.3
69.60285	1.1
69.96914	2.0
69.97328	4.0
70.02941	1.5
70.06582	51.6
70.94241	3.6
71.07357	16.5
71.95248	4.9
72.96014	1.3
74.97585	1.3
79.05477	3.9
81.03406	11.1
81.07031	2.3
82.04185	1.6
82.05315	6.6
82.06544	1.7
83.00789	1.2
83.04968	68.5
83.06055	10.4
83.50552	1.4
84.04472	2.5
84.08126	12.5
84.96002	2.9
88.00487	1.8
88.02390	1.3
91.05470	7.3
93.03378	2.4
93.04511	1.5
93.07028	3.5
94.01791	1.1
94.04156	1.2
94.06552	23.2
95.02444	2.1
95.04416	1.3
95.04951	3.3
95.06078	2.9
96.06855	17.0
97.00983	1.9
97.02316	1.4
97.02879	3.5
98.20729	2.3
100.01828	1.6
100.02469	5.8
101.02554	1.6
102.02252	2.3
103.02300	1.6
107.04933	1.8
108.01522	1.3
108.05751	1.3
109.00482	2.4
109.02293	2.2
110.97564	3.9
111.00808	2.1
111.04433	76.6
111.05553	13.4
111.06303	1.8
111.07999	4.4
111.09188	100.0
112.03947	2.2
112.05103	8.7
112.07592	6.5
112.08736	1.4
112.09489	1.8
115.02362	1.6
118.00264	1.1
118.03518	4.5
119.04905	1.1
120.03248	1.5
128.98604	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	109.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.6
53.00303	0.4
53.03939	10.6
55.01869	0.8
55.05502	11.4
65.03926	4.7
67.05492	100.0
68.05009	3.6
68.05824	1.5
69.04540	1.8
69.07053	7.8
79.05479	11.3
80.05017	0.8
80.05818	0.5
80.06258	1.9
81.03403	13.7
81.07040	31.4
82.06586	2.0
82.07355	0.9
83.06102	0.6
87.00460	2.3
91.05441	2.2
92.04983	0.8
94.04173	2.0
94.07800	1.4
95.04907	0.5
100.00713	0.5
107.04933	0.8
107.08574	4.0
109.02863	3.7
109.06501	7.2
109.07637	3.3
109.10136	41.9
110.06018	6.3
110.07146	12.2
110.10482	1.8
113.96393	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.00309	0.7
53.03942	8.4
55.01878	1.1
55.05502	11.9
65.03932	6.0
66.04712	1.1
67.05494	100.0
68.05026	3.5
68.05810	2.4
69.04557	0.8
69.07050	5.9
69.95101	2.5
71.35416	0.4
73.57254	0.5
79.05483	19.9
80.05814	1.0
80.06271	1.4
80.64347	0.5
81.03403	11.9
81.07042	42.2
82.06583	2.1
82.07389	0.7
91.05468	3.9
94.04177	2.9
94.07838	0.9
95.04943	0.9
105.07006	0.5
107.04935	1.0
107.08590	3.6
109.02866	2.1
109.06503	19.6
109.07615	5.4
109.10136	39.1
110.06047	2.9
110.07171	2.8
110.10474	1.4
113.26640	0.4
113.90760	0.5
125.13810	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02388	0.5
51.60125	0.4
53.00310	0.5
53.03941	11.6
54.04290	0.6
55.01869	0.8
55.05238	0.5
55.05503	10.6
58.76670	0.3
65.03931	5.6
67.05495	100.0
68.05017	3.2
68.05816	2.6
69.04541	2.8
69.07057	7.2
70.23665	2.0
72.93774	0.4
77.41750	0.3
79.05484	12.8
80.04981	0.4
80.06263	1.2
80.75198	0.3
81.03407	16.9
81.07043	33.2
82.03753	0.7
82.06568	1.5
82.07377	0.9
83.06090	1.0
86.50530	0.4
87.00458	2.2
91.05464	2.8
92.04984	0.4
93.04497	0.6
94.04167	1.8
94.07810	1.4
98.21403	0.5
98.51276	0.4
105.07020	0.7
107.04963	0.9
107.08557	3.5
109.02869	4.0
109.06513	9.6
109.07638	4.1
109.10138	43.2
110.06017	6.2
110.07149	11.1
110.10452	1.2
113.96359	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1013
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02355	0.8
53.00295	1.0
53.03936	14.3
55.01850	0.9
55.05502	10.9
60.86669	0.4
65.03928	6.2
67.05492	100.0
68.05020	3.3
68.05814	2.5
69.04534	1.5
69.07049	6.8
69.62162	2.3
69.62593	1.8
79.05480	13.7
80.06266	1.0
81.03400	17.3
81.07040	35.9
82.03739	0.9
82.06555	2.8
82.07366	1.2
83.06089	0.6
87.00465	1.0
91.05473	3.1
92.05003	0.8
94.04160	3.3
94.07796	1.0
95.04937	0.7
98.20702	0.9
105.99873	0.4
107.04964	1.0
107.08593	3.5
109.02872	4.8
109.06508	11.0
109.07626	5.7
109.10137	38.3
110.03638	0.5
110.06030	6.9
110.07162	6.9
110.10477	2.1
113.96368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
52.74876	0.7
53.03938	12.9
55.01863	0.9
55.05501	11.7
56.05857	0.6
56.39561	0.6
58.92457	0.8
63.91023	0.8
65.03925	6.9
67.05494	100.0
68.05019	4.5
68.05827	3.0
69.04539	1.2
69.07062	7.2
71.24719	1.6
71.25073	1.3
79.05482	15.2
80.06257	1.2
81.03403	18.0
81.07044	38.0
82.06569	5.4
82.07359	1.0
83.06149	0.9
91.05472	3.5
92.04991	1.3
94.04182	2.7
94.07807	1.8
107.04961	1.7
107.08584	3.5
107.36377	0.8
108.01591	0.7
109.02871	3.1
109.05821	1.3
109.06509	12.4
109.07625	8.3
109.10143	40.1
110.06017	5.1
110.07128	3.4
110.10486	2.2
115.05673	0.7
115.12019	0.9
116.44743	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1013
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02375	0.8
53.00309	0.5
53.03939	14.0
53.31269	0.3
54.04278	0.5
55.01856	1.9
55.05505	11.3
55.12350	0.3
65.03934	6.4
66.04730	0.4
67.05495	100.0
68.05019	5.8
68.05825	3.0
69.04540	2.2
69.07055	7.3
69.60558	2.7
69.60979	0.7
79.05481	20.4
80.04995	0.7
80.05826	0.8
80.06268	1.3
81.03405	20.6
81.07043	39.7
82.03748	0.9
82.06570	4.3
82.07340	0.9
83.06104	0.9
87.00460	1.0
91.05457	6.0
92.04977	1.1
94.04171	3.6
94.07843	0.9
102.52943	0.4
105.07005	0.8
107.04942	1.2
107.08574	3.6
109.02861	4.3
109.06498	31.8
109.07629	9.6
109.10138	45.6
110.06023	7.3
110.07134	9.1
110.10457	1.9
113.62953	0.4
113.96399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.19403	0.6
51.02370	2.2
53.03939	12.9
54.04245	0.7
54.84835	0.6
56.61584	0.6
65.03921	2.9
68.59681	0.6
69.59039	4.5
77.03917	3.3
79.05481	53.5
81.03403	1.5
91.05454	1.0
95.04952	27.2
96.05397	0.9
102.04688	0.6
103.05454	31.3
104.05736	0.6
105.03392	1.7
105.04509	6.7
105.07014	100.0
105.11056	0.8
106.06535	2.3
106.07336	3.0
117.09454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0857
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02360	0.2
53.03936	1.1
55.01844	0.5
65.03928	13.8
67.04256	0.2
67.05496	1.9
70.85461	0.7
77.03939	0.3
79.05479	11.4
80.04996	0.5
87.00145	0.2
91.05463	100.0
92.05772	1.5
92.06277	2.6
95.04959	2.2
96.22608	0.2
103.05446	0.8
105.07012	28.5
106.04161	0.7
106.07333	0.9
107.04937	2.4
107.08575	27.0
107.80724	0.2
108.08197	0.3
108.08940	0.8
109.06499	16.1
110.06862	0.4
119.06039	5.2
124.05186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0856
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03936	3.2
55.01849	0.6
55.05498	0.6
65.03928	14.4
67.05490	5.4
69.61787	3.5
78.43394	0.4
79.05476	30.9
80.05002	2.0
80.05807	0.7
84.08286	0.5
91.05460	100.0
92.05727	2.1
92.06287	3.3
95.04951	5.6
98.20702	0.9
103.05454	1.1
105.04494	1.3
105.07008	26.2
106.07371	0.5
107.04936	8.9
107.06071	0.7
107.08569	24.5
108.04447	1.2
108.08077	0.8
108.08854	0.6
108.81232	0.4
109.06497	13.4
119.06023	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	109.065
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02385	0.9
53.03942	25.4
54.03474	0.8
55.01862	3.7
55.05506	11.2
55.74498	1.0
65.03932	14.2
66.04704	1.0
67.05498	100.0
68.05031	6.4
68.05829	1.0
69.03413	1.3
69.04538	1.8
69.07050	5.6
71.69936	1.3
79.05485	41.0
81.03408	33.6
81.07047	61.5
82.06562	5.2
82.07338	1.5
83.49145	1.0
84.26743	0.9
91.05473	19.9
94.04171	18.3
94.07825	1.2
95.04959	2.2
102.55949	1.0
107.04944	8.8
107.08601	3.8
109.02208	1.2
109.02869	7.5
109.06506	97.3
109.07590	11.8
109.10143	39.7
110.06084	5.5
110.07182	5.7
111.04422	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02367	3.9
53.03939	16.6
65.03921	1.3
69.40597	0.7
70.84862	2.1
71.50991	0.7
77.03915	4.6
79.05480	62.3
80.05826	1.2
80.86473	0.8
81.03411	2.6
81.94437	0.7
84.09559	0.8
92.15903	0.7
95.04953	32.1
103.05454	42.5
104.05805	0.9
105.04521	6.3
105.07014	100.0
105.18766	0.7
106.06623	0.8
106.07346	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	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02364	1.8
53.03939	12.1
55.01849	1.0
65.03936	2.0
69.94736	5.5
77.03912	3.1
79.05484	55.6
80.05795	0.9
81.03419	1.3
81.05149	0.8
82.07788	0.9
94.75079	0.8
95.04955	26.5
98.21459	1.1
103.05456	33.4
105.04526	4.8
105.07018	100.0
106.06551	1.7
106.07366	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06587	7.5
59.06927	0.1
59.07369	2.2
59.10973	0.1
60.08152	65.2
61.08488	0.5
62.92978	0.2
64.01888	0.1
69.41962	0.5
69.42378	0.1
72.89491	0.1
79.77330	0.1
86.09704	0.3
87.04453	0.1
88.07615	0.2
95.04953	0.1
96.33875	0.1
104.10722	100.0
105.04533	0.1
105.06998	0.2
105.10506	0.1
105.11046	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43866	0.3
58.06587	6.2
59.07365	1.6
60.08154	56.5
61.08475	0.4
66.02964	0.3
69.03429	1.5
69.83478	1.9
69.83801	0.5
86.06059	0.8
87.04442	3.4
104.10725	100.0
105.11045	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.07
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02373	1.2
53.03937	12.3
55.01845	0.9
65.03923	2.0
69.69757	0.6
71.69977	1.3
71.70371	0.9
77.03912	3.1
79.05479	51.1
80.05805	1.2
81.03411	1.0
89.47726	0.6
95.04950	21.5
103.05448	31.4
104.06287	0.8
105.03391	0.9
105.04517	6.9
105.07009	100.0
106.06623	0.9
106.07349	2.4
114.78656	0.7
119.65337	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.6543
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03922	0.9
79.05476	6.5
81.03416	0.5
81.07041	14.7
83.04962	0.9
83.08603	4.3
85.06519	1.1
89.41611	0.4
91.05462	10.0
93.07027	16.7
95.04946	1.5
95.08588	27.2
96.08887	0.4
97.06508	1.1
97.10166	1.1
99.08074	4.2
103.05441	1.1
105.07010	25.9
106.07301	0.4
107.08572	32.9
108.08897	0.4
109.06501	2.3
109.10136	18.8
111.04435	0.4
111.08064	2.0
113.05976	0.4
115.05449	1.3
117.06979	3.8
119.08559	51.5
120.08881	0.8
121.06494	3.4
121.10120	22.3
122.10494	0.5
123.08035	2.2
123.11682	5.3
125.05968	1.0
125.09622	0.9
128.06235	0.9
129.06990	3.1
130.07758	0.9
131.08545	23.1
132.40819	0.4
133.06505	0.8
133.10103	27.2
134.10426	0.8
135.08037	4.3
135.10608	0.5
135.11667	10.2
137.06021	0.9
137.09578	3.5
137.13228	1.2
139.07555	0.7
141.06976	0.6
142.07787	2.0
143.08537	10.2
144.09282	1.3
145.10097	36.7
146.10513	0.7
147.04491	0.4
147.08022	3.2
147.11655	22.4
149.05931	1.1
149.09650	2.4
149.13219	8.0
151.07515	0.8
151.11159	1.2
151.14813	0.9
153.09090	1.1
155.08568	2.6
156.09302	2.3
157.10094	14.1
158.10852	1.8
158.74954	0.4
159.08031	1.1
159.11667	23.4
160.12218	0.5
161.09628	3.1
161.13225	20.5
162.13629	0.5
163.04082	0.4
163.07539	2.0
163.11156	3.4
163.14793	16.8
163.16188	0.8
165.09096	0.5
165.12767	0.8
165.16298	0.4
167.08536	0.7
169.10095	4.6
170.10860	2.4
171.08087	0.7
171.11664	13.3
172.12390	1.4
173.09532	0.9
173.13239	30.5
174.13611	0.8
175.11287	1.4
175.14790	48.9
176.11942	0.4
176.15179	1.5
177.09081	1.5
177.12726	2.7
177.16356	10.0
179.08446	0.5
179.10638	1.1
179.14288	3.8
181.04869	0.5
181.08594	0.6
181.10092	1.0
181.12239	0.7
182.10941	1.1
183.11655	6.4
184.12440	0.9
185.13228	19.1
186.13774	1.1
187.11194	1.3
187.14784	33.9
188.15160	0.8
189.09074	1.1
189.12737	5.7
189.16341	9.0
191.10602	1.4
191.14281	15.5
191.17888	6.6
192.14574	0.5
193.10057	0.4
193.15857	1.3
195.11661	2.0
195.13770	0.8
196.12520	0.4
197.13242	6.5
197.15114	0.7
198.13982	0.7
199.11131	0.8
199.14780	23.9
200.11906	0.6
200.15263	1.1
201.12704	1.3
201.16350	31.2
202.16701	1.1
203.10623	0.5
203.14297	11.3
203.17912	25.7
204.14848	0.5
204.18256	0.7
205.12271	1.1
205.15842	6.7
205.19386	0.4
206.10957	0.4
207.11815	0.8
207.13759	1.1
209.13251	3.2
209.15396	1.3
211.14783	6.4
213.12959	1.0
213.16342	18.7
214.16978	0.5
215.14326	4.1
215.17905	5.4
217.12233	1.6
217.15829	3.5
217.19420	0.9
219.13785	4.4
219.17355	2.5
221.13231	0.8
221.15279	4.8
223.14804	2.5
223.16948	2.3
224.17590	0.4
225.16353	3.4
227.14392	0.7
227.17915	5.2
229.12238	0.6
229.15894	2.5
229.19456	2.1
231.13788	2.2
231.17337	2.9
231.20912	1.9
233.15303	3.6
235.13078	2.8
235.16850	0.5
237.14836	3.6
237.16777	1.1
239.17879	4.0
241.15723	0.8
241.19449	4.5
243.13782	1.5
243.17459	1.1
243.21181	0.6
245.15323	7.7
245.19151	0.9
247.16893	5.8
249.14740	7.6
251.18108	2.0
253.14130	0.4
253.19473	3.1
254.40198	0.4
255.17523	0.6
255.21129	2.3
257.15265	0.7
258.15997	0.8
259.16885	15.1
261.14835	1.3
263.18127	0.6
265.19525	1.5
267.15814	0.5
267.20999	5.1
269.18921	0.5
269.22549	1.0
271.16885	1.0
271.96970	0.4
273.18509	3.2
275.20227	0.7
277.19547	0.6
279.21158	1.5
281.22565	0.9
283.20547	0.9
285.18552	1.1
285.22055	0.9
287.20248	0.8
293.22635	1.0
297.18573	0.8
297.22018	0.6
299.20084	0.9
303.20444	0.7
303.23364	1.2
305.22586	1.1
307.24161	3.1
309.22336	0.5
309.25836	1.1
313.21582	0.8
317.22662	0.6
319.24265	1.0
321.22128	0.7
321.25693	0.6
323.23502	0.7
325.25351	0.5
335.23517	0.8
337.21692	0.4
337.25311	1.1
345.25781	0.5
349.21417	0.8
349.25253	0.7
353.24719	3.8
363.22955	0.6
363.26834	0.8
363.30673	0.7
365.24823	0.8
373.28799	6.3
375.30457	4.9
377.32047	0.8
381.27722	1.2
391.29916	25.2
392.30127	0.8
393.31537	8.5
401.28317	1.2
409.31039	15.2
410.31241	0.8
411.32587	8.8
412.32755	0.6
419.29364	18.6
420.29623	0.9
421.31049	5.1
427.32001	1.2
437.30469	48.7
438.30728	2.0
439.32059	7.1
447.29010	1.3
450.80640	0.4
455.31503	100.0
456.32004	4.0
457.33090	27.0
458.33432	1.0
463.23941	0.4
465.29901	9.1
473.32559	25.7
474.32938	1.2
483.30966	20.9
484.31482	0.7
501.32047	18.2
502.32230	1.0
519.32947	2.1
566.50494	0.5
778.02985	0.4
986.99701	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	1.2
51.02372	3.0
53.03939	26.8
54.04271	0.5
55.01854	2.1
55.05493	0.6
56.05022	5.2
56.96540	1.6
57.03419	1.2
57.04538	1.2
57.05352	3.2
58.02944	1.5
58.06593	6.5
59.06115	9.1
60.04509	2.7
60.08150	5.1
60.95839	1.4
62.06079	12.9
62.07237	0.5
62.92980	3.7
64.17493	0.5
68.05002	0.5
69.03407	1.6
71.20915	1.7
72.04512	0.9
73.07655	2.3
74.06053	0.8
75.05587	2.1
77.03918	5.7
81.03409	3.7
85.02904	2.8
85.04831	0.9
85.07643	2.4
86.06057	8.5
87.04449	3.0
95.04952	48.6
96.05280	1.0
102.04672	6.1
103.04021	3.9
103.05449	100.0
103.08681	20.4
104.05779	2.4
104.10722	8.7
105.04498	12.2
112.78522	0.5
115.36361	0.5
116.75151	0.5
118.06557	0.6
120.97846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	1.0
51.02372	3.5
53.03939	20.7
55.01853	1.0
56.96551	1.3
58.21688	0.4
59.06110	0.5
60.08891	0.4
60.68937	0.4
70.92919	1.1
70.93265	0.4
77.03909	4.3
78.03538	0.4
81.03418	2.2
83.78169	0.4
94.71581	0.4
95.04953	38.7
96.05277	0.7
98.36337	0.4
102.04688	3.4
103.05450	100.0
104.05795	3.1
104.10682	0.5
105.04485	8.5
118.06544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.6747
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04964	0.8
71.30125	1.0
74.45551	0.6
74.84859	0.5
77.03883	0.6
79.05474	9.5
81.07039	22.3
82.63503	0.5
82.83260	0.6
83.04964	23.1
83.08596	5.2
85.02889	1.1
85.06516	1.1
91.05453	12.5
93.07025	23.1
95.04945	6.3
95.08585	33.3
97.06516	1.5
97.10156	1.5
99.08066	1.6
103.05454	0.9
104.86987	0.6
105.07004	31.7
107.08570	42.5
109.06505	4.5
109.10130	21.5
111.04430	1.2
111.08058	5.1
111.11700	0.7
113.06020	0.6
115.05395	1.0
116.06211	0.6
117.06985	5.3
119.08554	47.8
120.08848	0.6
121.06464	1.5
121.10118	22.9
123.08029	5.0
123.11670	7.5
125.09603	14.7
128.06165	1.3
129.06982	3.1
130.07747	0.8
131.08540	22.6
133.10101	30.1
135.08038	3.5
135.11664	12.8
137.09578	3.0
137.13246	1.7
139.07544	1.1
141.06993	1.1
142.07744	2.3
143.08542	9.7
144.09319	1.4
145.10091	32.1
147.08011	1.2
147.11658	22.2
149.09578	1.9
149.13223	12.9
151.07527	1.6
151.11156	2.0
153.09071	2.1
155.08522	2.9
156.09315	1.3
157.10092	16.4
158.10855	1.3
158.17032	0.6
159.08099	0.9
159.11658	26.8
160.12082	0.9
161.09578	2.0
161.13228	22.1
163.07483	1.6
163.11105	3.1
163.14789	10.5
165.12753	1.5
167.10742	0.7
169.10039	4.3
170.10812	2.6
171.11665	10.7
172.12434	1.3
173.13223	29.5
174.13625	0.8
175.07544	0.8
175.11195	1.1
175.14783	26.7
177.09097	1.6
177.12773	4.3
177.16330	7.9
179.10686	0.9
179.14293	2.1
181.08682	0.7
182.10893	0.6
183.11610	6.0
184.12480	1.0
185.13220	28.2
186.13734	1.1
187.14780	35.8
188.15134	1.0
189.12743	2.8
189.16325	12.4
191.10719	0.9
191.14258	12.0
191.17877	4.5
193.15858	2.0
195.11707	1.8
195.13573	0.7
197.13242	5.5
198.14098	0.7
199.14775	21.0
200.15157	0.7
201.12695	2.2
201.16345	35.0
202.16632	1.2
203.14279	12.4
203.17902	11.9
205.12334	1.0
205.15825	13.3
207.11632	0.6
207.13766	0.9
207.17409	2.0
209.13260	1.3
209.15384	0.9
211.14749	4.8
213.16351	16.5
215.14320	4.0
215.17891	4.8
217.12213	2.0
217.15823	9.2
217.19351	1.1
219.13870	1.3
219.17424	6.4
221.13289	1.1
221.15236	4.5
221.19073	0.8
223.14772	1.9
223.16888	1.5
225.16289	3.4
227.14308	1.2
227.17854	5.7
229.15797	3.0
229.19519	1.8
231.13828	2.1
231.17300	4.8
233.15349	1.9
233.18988	0.9
235.13274	1.9
235.16954	1.2
237.14455	1.0
237.16502	1.4
237.18484	0.7
239.17879	4.3
241.15828	0.7
241.19389	3.5
243.13708	0.8
243.17407	1.0
243.21007	1.1
245.15295	5.4
245.18941	1.5
247.16898	10.0
249.14764	14.2
249.18495	1.2
251.17963	2.2
253.19571	3.3
255.17581	0.8
255.21089	1.6
257.15433	0.7
257.18866	1.5
259.16858	7.5
259.20761	1.3
261.14792	3.1
261.18356	0.6
263.16003	2.9
267.21039	3.5
269.19122	0.7
269.22577	0.9
271.17017	0.7
273.18372	2.9
277.18069	0.6
279.21088	1.6
281.22696	1.5
283.17075	0.8
283.20419	1.4
285.18399	1.6
285.21729	0.7
287.20059	1.3
291.20941	0.9
293.22672	1.6
295.24127	1.1
297.18585	1.0
299.20047	1.4
305.22748	0.8
307.20612	0.6
307.23935	1.1
309.25854	1.1
311.23862	1.0
313.21555	0.8
317.22446	1.2
319.24011	0.9
323.27383	0.9
325.21545	1.3
325.25168	0.8
327.23178	1.5
331.24225	0.7
335.23596	1.5
337.25290	0.8
339.23196	2.0
341.24677	1.4
343.22510	1.0
347.27368	1.5
349.25217	1.1
351.22958	0.8
353.24548	1.2
355.26260	1.9
357.24231	0.8
365.28314	1.3
369.27856	2.7
371.25766	2.6
373.28439	1.7
375.30411	1.5
377.32117	1.0
387.29807	4.2
389.31970	1.8
391.29849	7.6
392.30325	0.8
393.27234	2.8
393.31650	2.0
395.32874	0.7
405.31461	21.2
406.31854	1.0
407.33215	4.4
409.31076	6.5
411.28470	7.7
419.29343	6.5
420.29663	0.7
421.31076	3.0
423.32538	11.1
424.32443	0.8
425.34479	0.9
427.32352	0.8
433.30960	12.5
434.31329	1.1
437.30447	14.2
438.31030	1.3
439.31894	5.8
441.33295	3.6
443.35037	0.9
451.31973	45.4
452.32336	2.3
455.31491	35.5
456.31812	2.5
457.33194	2.7
459.34406	0.7
465.29913	2.1
469.33063	100.0
470.33279	4.2
473.32529	20.7
474.32657	1.0
483.30975	4.7
487.34109	6.6
501.32028	11.8
502.32043	0.9
505.34824	0.7
519.33209	1.0
840.39929	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.6745
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04968	1.0
71.70484	1.2
73.66584	1.0
77.03911	1.1
79.05473	15.1
81.07042	34.2
83.04964	35.2
83.08604	8.4
85.02871	1.2
85.06538	1.6
89.55829	0.7
91.04904	2.0
91.05454	21.9
93.07023	41.5
95.04953	6.5
95.08588	54.8
97.06515	2.8
97.10152	2.6
97.19923	1.0
99.08057	6.2
103.05421	1.9
105.07008	47.5
107.04924	1.0
107.08571	65.8
109.06486	6.8
109.10133	33.7
110.10485	1.1
111.04398	0.9
111.08073	6.9
115.05450	1.7
117.06992	7.2
119.08556	79.8
120.08989	1.1
121.06457	1.8
121.10120	35.2
122.10399	1.0
123.08038	5.5
123.11671	9.5
125.05991	1.6
125.09611	19.1
127.07574	1.1
128.06131	2.1
129.06995	5.7
130.07761	1.2
131.07545	1.1
131.08537	34.7
133.10106	44.9
135.08008	3.6
135.11676	20.1
137.05913	2.2
137.09610	4.4
137.13226	2.0
139.07474	1.3
141.06929	1.8
142.07768	2.4
143.08539	17.9
144.09265	3.3
145.10095	58.2
146.10577	1.2
147.04376	1.3
147.08008	2.5
147.11659	47.9
149.05959	1.3
149.09602	3.4
149.13225	17.8
151.07500	1.7
151.11151	2.9
153.09114	1.6
155.08524	4.5
156.09286	3.1
157.10089	23.6
158.10834	3.5
159.11664	47.0
161.09596	4.1
161.13223	28.1
161.14272	0.5
163.07545	6.0
163.11139	2.7
163.14775	15.0
165.09093	1.3
165.12607	1.0
169.10092	7.7
170.10880	2.9
171.11649	21.1
172.12463	1.9
173.09735	1.3
173.13223	41.8
174.13640	1.6
175.07474	1.4
175.11191	2.8
175.14786	52.8
176.15039	1.4
177.09073	1.2
177.12737	3.4
177.16342	20.7
177.17888	1.1
179.14265	2.9
181.10037	1.9
182.10907	1.8
183.11655	10.6
184.12393	1.9
185.13232	28.7
186.13934	3.2
187.14786	55.3
188.15178	1.3
189.09152	1.6
189.12708	4.0
189.16364	14.6
191.14256	13.1
191.17809	6.2
193.15820	1.9
195.11630	3.1
196.12402	1.0
197.13254	11.5
198.14041	1.3
199.14789	37.2
200.15182	1.5
201.16350	62.4
202.16716	1.1
203.14284	18.8
203.17914	28.9
205.15852	37.0
207.11803	1.6
207.13805	1.4
207.17299	1.1
209.13229	4.0
211.14783	11.9
213.16353	28.4
215.14272	4.8
215.17830	8.0
217.12317	1.5
217.15833	9.2
217.19379	1.1
219.13841	4.9
219.17389	6.6
221.13377	1.6
221.15276	6.6
223.14783	4.0
223.16920	3.0
224.15532	1.1
225.16377	6.2
227.17841	8.1
229.15848	3.4
229.19495	2.1
231.13795	1.9
231.17397	6.6
233.15269	5.6
233.18886	1.5
237.16322	3.7
239.17883	6.2
241.15936	1.8
241.19473	6.4
243.17369	1.9
243.21037	1.6
245.15318	11.9
247.16891	13.3
249.14713	12.3
251.17918	3.3
253.19466	6.4
255.20947	4.0
259.16876	16.4
265.19525	4.6
267.20981	7.6
269.19055	1.8
269.22427	2.3
271.16937	1.8
271.20398	1.2
273.18460	3.6
279.20932	2.1
281.22629	3.1
283.20514	2.0
285.18524	1.9
287.19986	2.0
291.21048	1.1
293.22519	2.0
299.20251	2.1
299.23529	1.9
307.24222	2.8
311.20227	1.0
313.21548	1.9
319.24219	1.1
323.27347	2.2
325.21704	2.0
327.22995	1.5
333.25751	1.5
335.23578	1.7
337.25470	1.8
339.23209	2.3
341.24493	3.4
341.28278	3.5
347.27295	3.0
353.24759	2.6
355.26056	1.3
365.28369	2.8
369.27905	2.9
373.28745	3.0
375.30386	4.0
377.32068	1.8
387.30273	5.2
389.31931	2.0
391.29922	12.5
393.27252	9.1
393.31625	3.6
405.31427	39.4
407.33102	13.1
409.30991	7.5
411.28745	3.3
411.33139	1.9
419.29361	9.7
421.31049	6.8
423.32520	15.1
425.34503	1.8
433.30969	21.7
437.30469	25.1
438.30753	1.9
439.31909	2.2
441.33536	13.0
443.34998	5.3
443.93863	1.1
451.31985	100.0
452.32513	5.2
455.31497	46.6
456.31921	3.6
457.32993	9.6
465.30124	4.7
469.33041	78.1
470.33182	2.7
473.32523	20.4
474.32654	1.8
483.30997	8.9
484.31064	1.2
487.34036	6.4
501.31879	11.3
519.33313	2.0
970.90784	1.1
992.84839	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1020.6088
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04971	6.3
71.71290	4.7
77.36674	2.7
79.05479	78.0
81.03406	7.4
81.07040	100.0
83.04961	10.6
83.08604	26.2
85.02896	13.6
85.06526	6.3
86.09713	4.0
91.03945	6.0
91.04919	6.0
91.05464	91.0
92.05798	3.0
93.07025	99.6
95.04945	14.4
95.08587	70.6
97.02876	8.2
97.06502	15.5
97.10140	10.1
98.00188	2.4
103.05427	3.6
105.06328	6.4
105.07011	87.9
107.04935	11.0
107.08576	63.9
109.06475	8.3
109.10138	87.5
111.08032	8.0
117.07001	36.1
119.08554	70.1
121.06475	4.5
121.10139	39.8
123.08100	5.9
123.11707	13.4
125.09612	12.4
128.06242	2.9
129.05505	3.0
129.07005	18.1
130.89702	2.7
131.08545	45.8
133.06537	5.3
133.10110	64.7
135.08029	6.0
135.11661	27.8
137.09583	6.2
139.11168	3.9
141.07001	2.9
143.08521	19.3
145.10106	44.2
147.11652	46.0
149.09543	13.6
149.13228	20.8
151.11284	3.8
155.08519	8.0
155.10567	4.6
157.10095	17.1
159.07991	4.2
159.11664	34.9
161.13228	31.4
163.03943	3.1
163.05923	3.6
163.11174	6.0
163.14731	4.0
167.08611	3.5
169.10062	14.2
171.11679	22.9
173.06064	4.0
173.11700	17.6
173.13235	18.1
175.11127	3.9
175.14854	15.2
177.12724	6.9
181.10103	4.4
183.11714	9.0
185.13213	18.4
187.11140	4.3
187.14850	8.3
195.11647	5.4
197.13190	8.3
199.14783	12.6
201.16222	3.9
205.09856	3.6
207.11575	4.6
209.13240	6.8
211.14743	9.5
213.16380	5.5
215.17880	4.1
217.15715	3.0
221.13263	5.4
223.14807	5.6
225.16606	3.4
227.12602	14.5
229.14304	61.2
229.16441	4.9
231.21074	4.8
235.14729	3.9
239.17828	7.1
241.19478	32.7
257.19107	7.4
259.20541	85.3
260.20883	3.4
261.22083	4.5
267.15930	4.5
269.17392	26.8
271.20514	3.4
275.20029	35.3
277.21732	4.5
291.19461	3.1
293.20999	11.6
313.21869	3.7
315.23114	8.8
323.23364	2.8
328.41473	2.8
331.22635	5.2
333.24225	84.8
335.25888	7.1
349.23734	20.1
351.25388	6.2
367.24820	28.5
417.30920	3.5
421.31247	4.4
435.32300	6.6
453.33490	5.7
469.33151	3.8
487.34247	27.6
505.35178	51.5
509.36014	9.1
513.36072	15.8
515.38568	6.7
527.37170	72.6
533.39325	8.4
545.38171	23.6
551.40833	5.0
567.40570	4.6
607.43396	56.7
613.36957	4.1
625.44574	87.1
626.44281	6.9
643.45337	12.4
653.40594	3.8
671.40839	4.3
689.42389	8.0
755.08594	3.7
769.48914	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	1019.6445
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05475	4.1
81.07045	12.8
83.08603	2.9
85.06509	0.5
87.16341	0.3
91.05466	8.4
93.07027	13.9
95.04967	1.7
95.08593	21.9
96.08907	0.4
97.06501	1.3
98.20736	0.5
99.08075	3.1
103.05466	0.7
105.06439	0.4
105.07010	23.7
107.08578	24.4
109.06490	2.1
109.10139	15.4
111.08070	2.0
116.06207	0.5
117.07007	3.2
119.08566	43.4
120.08900	0.6
121.06525	2.5
121.10128	19.8
122.10493	0.5
123.08051	1.7
123.11691	4.5
125.05969	0.8
125.09531	0.5
128.06232	1.0
129.06969	2.0
131.07515	0.5
131.08546	21.5
133.10109	22.1
134.10461	0.6
135.08035	2.0
135.11679	8.7
137.05983	1.0
137.09593	2.5
137.13242	1.4
139.07535	0.5
139.11159	0.6
141.06958	0.6
142.07788	1.5
143.08531	8.4
144.09320	1.1
145.10103	32.4
146.10515	0.8
147.07986	2.1
147.11662	18.8
149.05925	1.1
149.09595	2.1
149.13243	6.0
151.07501	1.2
151.11165	1.2
151.14774	0.7
153.09111	1.3
153.34396	0.4
155.08536	2.2
156.09331	1.3
157.10104	12.0
158.10892	2.1
159.08063	0.6
159.11670	21.2
160.12183	0.7
161.09639	3.0
161.13235	16.2
163.03891	0.8
163.07527	1.6
163.11122	2.7
163.14801	10.6
168.09201	0.5
169.10098	4.7
170.10834	1.9
171.10179	0.5
171.11673	12.0
172.12349	1.2
173.09714	1.0
173.13237	28.3
174.13603	1.1
175.11226	1.7
175.14798	47.4
176.15163	1.4
177.09077	1.6
177.12749	1.4
177.16347	6.3
179.10744	0.8
179.14285	2.3
181.10164	1.1
181.12135	0.6
182.10901	1.1
183.11653	4.9
184.12410	1.1
185.09666	0.7
185.13240	16.4
186.13840	0.4
187.11266	1.1
187.14790	29.0
188.15088	0.6
189.09056	1.1
189.12704	5.3
189.16351	7.5
191.10681	0.8
191.14285	15.9
191.15997	0.9
191.17882	2.7
192.14735	0.7
193.10182	0.5
193.12166	0.7
193.15874	1.0
195.11679	1.6
195.13715	0.9
196.12346	0.6
197.13254	6.4
198.13918	0.5
199.11050	0.7
199.14793	21.4
200.15138	1.0
201.12695	1.4
201.16357	29.1
202.16653	1.8
203.14301	7.0
203.17934	12.0
203.19855	0.6
204.18208	0.6
205.12204	0.9
205.15825	4.7
207.11850	0.8
207.13747	1.7
209.13254	2.5
209.15367	1.1
211.14804	4.8
212.15363	0.4
213.12878	0.9
213.16351	16.1
214.16763	0.7
215.14359	3.0
215.17886	2.9
217.12253	1.4
217.15834	2.4
219.13808	3.7
219.17343	2.1
221.13326	1.0
221.15289	3.7
223.14763	1.8
223.16966	1.8
225.16359	2.4
227.14296	0.9
227.17909	4.8
229.12276	0.7
229.15892	2.3
229.19431	1.9
231.13803	1.6
231.17435	1.5
231.21107	0.9
233.15314	3.6
235.13148	2.7
235.16891	0.8
237.14531	3.5
239.17905	3.4
241.15887	0.6
241.19472	3.1
243.13750	0.9
243.17421	0.9
245.15346	6.6
245.19128	0.7
247.14673	0.8
247.16899	6.4
249.14647	3.6
249.18578	0.6
251.18083	2.0
253.19539	2.5
255.21112	1.6
257.15353	0.7
257.19016	0.6
258.16074	0.5
259.16882	12.4
260.17334	0.6
261.14874	0.6
265.19473	1.6
267.15948	1.0
267.21014	4.1
269.18915	0.8
269.22577	0.8
273.18469	2.9
275.20135	0.7
277.19705	0.6
279.15961	0.5
279.21130	1.1
281.22519	0.5
283.20676	0.4
285.18607	0.7
285.21976	1.0
287.20074	0.9
293.22644	0.9
295.20514	0.7
297.18500	0.7
299.19974	0.6
303.23526	1.0
305.22552	0.7
307.20670	0.6
307.24023	1.9
313.21509	0.7
319.24203	1.0
321.22076	0.6
325.21680	0.8
331.24268	0.5
335.23682	0.5
337.25247	0.7
339.23251	0.5
349.21362	0.5
349.25269	0.7
351.23120	0.7
353.24600	2.3
363.30688	0.9
373.28891	4.7
375.30411	4.0
377.32202	0.6
381.27719	0.7
391.29898	20.9
392.30054	1.1
393.31543	5.6
394.31973	0.5
401.28326	1.8
403.29971	0.6
409.31015	12.1
410.31363	0.8
411.32443	4.5
419.29376	18.1
420.29709	1.5
421.30795	4.5
427.32047	1.0
431.48111	0.4
437.30469	41.5
438.30923	2.1
439.32346	3.1
447.28732	1.9
455.31519	100.0
456.31787	7.3
457.33051	10.6
458.33197	1.0
465.29886	10.9
466.30200	0.7
473.32611	12.6
474.32666	1.0
483.31012	21.7
484.31479	1.9
501.32025	11.2
502.32254	0.5
519.32947	0.9
536.64972	0.4
721.10321	0.4
736.22479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.6435
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04967	0.5
79.05475	5.7
80.78223	0.5
81.03378	0.6
81.07040	12.7
83.04955	1.2
83.08598	3.0
85.02892	1.1
85.06525	0.8
91.05455	7.8
93.07028	13.7
95.04947	2.1
95.08585	24.8
97.06516	1.4
97.10139	0.9
99.08078	3.3
103.05456	0.7
105.07008	24.4
107.08572	25.9
109.06492	1.4
109.10139	15.4
111.08070	1.9
113.05997	0.6
117.06969	3.0
119.08558	42.8
120.08870	0.5
121.06515	3.3
121.10120	19.3
123.08025	2.9
123.11696	3.6
125.05966	1.6
125.09614	0.8
127.07484	0.5
128.06168	1.1
129.06993	2.1
131.08537	19.2
133.06401	0.8
133.10103	23.2
135.08060	3.2
135.11662	9.9
137.05969	1.0
137.09602	2.2
137.13232	1.4
141.06979	0.5
142.07788	1.5
143.08537	8.2
144.09262	1.1
145.10098	35.1
147.04378	1.2
147.08022	2.1
147.11655	18.2
149.05980	1.4
149.09592	2.2
149.13216	7.0
151.07478	1.1
151.11176	1.2
153.09067	1.7
155.08514	2.1
156.09325	1.4
157.10092	12.6
158.10864	2.3
159.08015	0.6
159.11670	20.3
160.12328	0.5
161.09608	4.2
161.13228	15.9
163.03862	1.1
163.07536	1.1
163.11150	2.7
163.14792	11.3
167.06961	0.5
167.08444	0.6
167.10716	0.7
169.10112	4.5
170.10921	1.9
171.11662	11.0
172.12456	0.9
173.09593	1.7
173.13229	32.2
175.11403	1.2
175.14793	48.9
176.15181	0.9
177.05528	0.9
177.09138	1.2
177.12738	2.5
177.16367	7.3
179.10666	0.8
179.14275	3.0
181.10100	0.9
181.12206	0.9
182.10872	0.8
183.11650	5.7
185.09579	1.1
185.13229	15.9
187.11195	1.5
187.14781	30.1
188.15166	0.9
189.09117	0.7
189.12732	5.3
189.16362	8.0
191.10669	1.3
191.14278	17.9
191.17876	3.5
193.12234	0.6
193.15785	1.1
195.11705	2.1
195.13542	0.7
197.13206	5.5
199.11050	0.8
199.14781	21.3
200.15099	0.7
201.12721	1.8
201.16348	28.7
203.14291	6.7
203.17920	11.7
205.12247	0.9
205.15849	4.2
207.13760	1.4
209.11516	0.6
209.13234	2.2
209.15297	1.4
211.14764	6.3
213.13025	0.6
213.16350	15.9
215.14293	3.4
215.17882	3.1
217.12212	1.6
217.15805	2.9
219.13725	4.0
219.17453	2.1
221.15291	3.6
223.14983	1.0
223.16994	2.0
225.16330	2.7
227.14288	1.2
227.17867	5.1
229.15794	2.0
229.19502	2.3
231.13687	1.6
231.17392	2.7
231.21136	0.6
233.15344	3.5
235.13156	2.9
235.16826	0.7
237.14566	4.6
237.18477	0.6
239.17918	3.0
241.19487	2.7
243.13770	1.4
243.17342	0.9
245.15337	6.8
247.16925	6.2
249.14644	3.3
251.17949	2.4
253.19418	3.2
255.21071	1.1
257.15170	0.5
259.14417	0.5
259.16882	12.2
259.19644	0.7
265.19473	1.7
267.18326	0.8
267.20984	3.9
269.19000	0.7
271.16870	0.8
273.18439	2.6
275.20129	0.9
279.21094	0.9
281.22452	1.1
283.20456	0.7
285.21802	1.0
287.20093	1.2
299.20023	0.7
303.23175	1.6
305.22885	0.8
307.24152	2.0
309.25775	1.4
311.20343	0.6
317.22726	0.7
319.24118	0.7
321.22067	0.6
335.23587	0.7
338.70313	0.7
339.23492	0.6
353.24609	2.9
371.25989	0.7
373.28644	4.8
375.30365	3.2
377.31961	0.6
381.27994	0.7
391.29877	22.6
393.31671	5.1
401.28534	1.1
402.29050	0.7
403.30029	0.8
409.26163	0.9
409.31027	11.8
411.32471	4.1
419.29388	18.0
420.29651	0.9
421.31076	3.8
437.30472	43.9
438.30762	2.2
439.32080	4.0
447.28998	2.1
455.31497	100.0
456.31778	3.2
457.33032	7.7
465.29846	9.5
473.32538	12.8
474.33060	0.7
483.30963	22.7
501.32056	10.3
519.33105	0.8
768.38782	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5934
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01350	1.7
71.04980	6.7
71.08613	1.0
73.02912	2.5
75.79713	1.0
77.03896	1.4
79.05482	81.6
81.03407	20.3
81.07046	100.0
82.07365	1.8
83.04502	1.6
83.04965	18.6
83.08604	21.2
85.02893	13.0
85.06538	6.5
86.09695	1.0
91.03938	3.4
91.05465	73.1
92.05761	1.0
93.07030	78.9
95.04474	0.8
95.04952	23.4
95.08591	50.4
96.08926	1.6
97.02876	8.6
97.06519	20.6
97.07101	1.9
97.10151	16.6
99.04435	3.4
99.08079	4.4
101.02303	0.8
103.05441	2.9
104.06148	1.1
105.04549	1.1
105.07013	66.2
106.07343	1.2
107.04939	14.7
107.08577	60.3
109.02868	4.7
109.06511	9.6
109.10140	21.4
111.04440	1.8
111.08060	8.1
113.06000	1.6
113.09648	2.5
113.33622	1.1
115.05422	4.8
117.07003	26.9
117.07790	1.7
119.08562	42.6
121.06474	9.0
121.10129	27.2
123.04443	1.8
123.08062	7.9
123.11678	7.6
125.09615	14.6
127.03911	5.6
127.07530	1.6
128.06223	4.0
129.05481	1.8
129.06989	13.3
130.07767	2.7
131.04951	1.0
131.08554	35.1
133.06473	3.7
133.10112	34.7
135.08061	8.0
135.11679	24.7
137.05957	1.0
137.09578	6.0
137.13216	1.7
139.07518	1.1
139.11139	1.8
141.06941	5.4
142.07745	3.6
143.08528	14.5
144.09349	1.8
145.04959	1.6
145.06483	4.0
145.10110	32.3
147.08026	5.3
147.11658	21.3
149.09589	22.8
149.13246	16.3
151.07570	0.9
151.11185	4.1
155.08548	6.5
157.06503	1.1
157.10109	13.0
159.08002	2.6
159.11673	22.6
161.09604	3.7
161.13240	9.3
163.07556	1.0
163.11168	15.0
163.14813	1.6
163.55280	0.9
163.68121	0.9
165.06923	1.2
165.09134	1.6
165.12747	2.0
167.08575	3.0
168.09438	1.1
169.10124	7.4
171.08020	2.0
171.10281	1.6
171.11618	8.7
173.04462	4.1
173.09570	2.5
173.11816	1.5
173.13206	10.3
175.11186	3.4
175.14812	1.9
177.12724	6.1
179.14337	5.3
181.10126	4.3
181.12291	1.9
183.11658	7.2
185.09648	1.5
185.13213	4.0
187.11147	3.9
187.14774	3.8
189.11205	7.7
189.12750	1.7
189.16356	1.1
191.14275	1.9
195.11934	1.7
195.13803	8.5
197.13248	4.2
199.11166	1.2
199.14786	3.0
201.12700	2.5
201.16388	2.0
205.12259	2.0
207.11745	1.8
207.13719	1.3
209.13231	1.8
211.14783	2.2
213.12737	1.1
213.14604	1.3
213.16463	1.7
215.14330	1.5
219.13777	1.4
223.15005	1.3
225.16393	1.4
227.12695	18.1
227.14746	1.6
229.14377	3.8
229.19519	3.6
233.15341	1.7
239.17932	4.9
247.16919	1.2
247.20546	3.5
253.14401	1.4
253.18034	1.3
255.15800	13.4
257.18967	15.9
259.20554	1.6
267.15918	4.6
269.17432	41.3
273.18460	2.7
275.20032	58.6
276.20389	1.1
291.19501	1.3
293.18011	1.0
293.21021	5.9
311.23938	0.9
321.24307	1.5
327.23068	1.1
329.21295	1.3
331.22815	5.4
338.61716	1.1
341.24655	1.0
347.22174	1.9
349.23685	53.9
350.24048	1.4
355.26352	1.5
367.24701	5.0
406.93506	1.2
409.25909	1.5
413.21616	2.4
431.28281	1.7
433.30240	1.8
435.27570	2.6
439.26996	1.2
445.29352	3.5
447.30865	2.3
449.28979	19.9
451.32062	3.3
463.30569	28.3
469.33005	1.8
479.29807	1.1
503.33490	2.8
511.34479	2.1
515.37439	2.1
519.33087	3.0
525.35730	6.9
527.37018	1.4
529.35260	11.2
543.36755	57.2
544.36823	3.2
547.35889	2.3
549.30908	1.1
561.37915	6.8
583.30524	1.1
595.43079	1.7
605.41504	1.7
607.34302	4.1
623.33295	1.0
623.42987	19.8
624.43597	1.5
641.44196	6.2
645.36310	1.2
661.18213	1.1
669.38428	1.4
687.40417	2.6
705.41541	2.6
710.67792	1.0
784.51233	1.1
876.60730	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5928
Annotation	Unknow
Peak:m/z	Relative Intensity
70.77152	0.9
70.77505	2.5
71.01351	2.5
71.04974	5.4
73.02900	2.3
73.06535	0.7
77.03908	1.0
79.05479	72.7
80.05793	1.1
81.03400	17.1
81.07041	100.0
82.07362	1.6
83.04964	15.7
83.08605	20.2
85.02887	11.1
85.06523	4.5
91.03957	2.3
91.05463	62.0
92.05782	1.2
93.07028	76.3
94.07370	1.3
94.55827	0.8
95.04951	17.9
95.08591	42.7
96.08933	1.5
97.02881	8.1
97.06516	19.2
97.10155	13.4
99.04416	2.1
99.08089	3.8
101.05984	0.7
103.03959	0.9
103.05459	2.1
105.04520	1.6
105.07013	52.8
107.04937	13.3
107.08576	49.4
107.09317	1.5
107.56834	0.8
108.08932	1.0
109.02869	3.8
109.06490	10.3
109.10135	17.3
111.04414	1.6
111.08069	8.3
111.11727	0.8
113.09637	1.5
115.05439	3.0
117.07004	27.0
119.04922	1.2
119.08560	40.0
121.06497	8.1
121.10127	24.2
123.08058	4.9
123.11692	6.1
125.09608	9.6
127.03880	5.0
128.06230	3.6
129.05441	2.2
129.06985	13.3
130.07785	1.7
131.04942	0.9
131.08543	32.4
133.06470	2.7
133.10109	32.1
134.10524	1.3
135.08041	8.2
135.11667	20.6
137.09578	4.2
139.07510	0.8
139.11205	1.8
141.06961	5.0
142.07793	2.2
143.08524	10.2
143.79230	0.8
144.09235	1.5
145.04953	2.0
145.06479	3.5
145.10098	23.0
147.08040	3.4
147.11667	16.6
149.09590	16.3
149.13239	18.5
151.07530	0.8
151.11182	4.2
153.09097	1.3
155.08527	6.3
156.09328	1.2
157.06526	0.8
157.10121	7.4
159.08052	1.8
159.11676	19.6
161.09589	3.2
161.13220	7.9
163.03879	2.2
163.05925	0.9
163.11154	11.4
163.14752	1.7
165.09132	1.7
165.12749	2.4
167.08495	1.0
169.10112	7.2
171.11638	8.6
173.04462	5.3
173.09607	1.8
173.11819	1.3
173.13220	8.9
175.11166	2.5
175.14790	1.3
175.54720	0.8
177.12706	8.3
179.14302	3.7
181.10109	2.4
181.12221	2.2
183.11642	5.0
185.09674	1.5
185.13284	4.1
187.11185	2.8
187.14835	2.7
189.09756	0.9
189.11221	4.4
189.12711	1.7
189.16360	0.8
191.10501	0.8
191.14264	1.8
193.12224	0.9
195.11894	1.8
195.13824	9.1
197.13185	4.1
199.14850	1.7
201.12704	1.9
205.12201	1.3
207.11829	1.1
207.13954	0.8
209.13347	1.1
211.11301	0.9
211.14801	2.1
213.14684	1.2
213.16487	1.0
219.13710	0.9
225.16365	1.6
227.12723	12.0
229.14308	2.3
229.19437	4.2
233.15282	1.3
237.16537	1.0
239.17894	4.3
241.16003	0.8
245.13739	1.2
245.18912	1.0
247.20497	3.6
251.16444	2.5
253.14368	2.5
253.17952	1.9
255.15845	12.4
257.18958	12.9
259.20496	1.2
267.15829	4.2
269.17432	45.0
270.17856	1.0
273.18613	1.3
275.20023	46.9
276.20468	1.4
291.19586	1.8
293.17746	1.4
293.21136	4.4
297.16992	1.1
303.15860	1.7
309.21432	0.7
313.21689	1.0
321.24335	2.0
331.22711	4.4
339.23312	1.3
349.23663	43.2
350.23984	1.3
367.24780	6.3
371.17270	0.9
413.21732	2.7
419.24133	1.1
423.27460	3.0
431.27881	2.7
433.30750	1.3
435.27328	2.9
439.26892	1.8
445.29623	3.7
447.31323	1.7
449.28909	24.1
461.29468	1.0
463.30463	37.2
464.30954	2.1
469.33105	2.0
485.32434	0.9
503.33774	3.4
515.37042	2.6
519.32690	1.2
525.35681	7.5
529.35284	10.2
543.36743	61.1
544.37109	2.7
547.36102	2.3
561.37885	9.4
562.37665	0.9
583.30737	1.2
589.33624	1.2
593.33325	1.3
605.41412	1.6
607.34802	6.4
623.42999	10.0
641.44043	5.6
659.45166	1.2
687.41144	3.2
752.45160	1.0
767.45819	0.9
785.48315	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1016.5769
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08598	0.8
73.02908	1.6
77.03883	1.5
79.05476	51.3
81.03397	12.2
81.07038	49.2
83.04959	9.8
83.08599	15.7
85.02882	5.6
85.06514	2.8
87.04391	0.8
90.24139	0.6
91.03938	1.3
91.05460	39.9
92.12376	0.7
93.07021	40.2
95.01317	0.9
95.04947	18.2
95.08583	23.7
97.02872	13.2
97.06513	12.7
97.10155	16.2
99.08083	0.7
103.03910	0.8
103.05446	2.0
105.07003	31.4
107.04932	14.2
107.08566	32.8
109.02858	1.7
109.06496	6.1
109.10129	13.9
111.04417	1.9
111.08042	3.8
113.05994	0.9
113.09676	1.0
115.05410	2.1
116.06167	1.5
117.06998	15.1
119.04913	2.2
119.07726	1.5
119.08552	24.3
121.06500	6.6
121.10117	11.3
123.04390	1.1
123.08068	4.5
123.11686	1.8
125.09602	13.5
127.03898	2.4
127.07491	1.0
128.06177	2.7
129.05469	1.2
129.06973	7.6
131.08537	17.9
133.06432	4.3
133.10103	19.5
134.07156	1.2
135.08028	6.7
135.11667	9.2
137.09598	3.2
139.11095	0.9
141.06952	1.3
142.07755	1.6
143.08525	6.5
145.06433	2.0
145.10074	13.3
147.08014	7.3
147.11653	8.6
149.09595	9.1
149.13229	7.2
151.11154	3.9
153.09036	2.0
155.08507	2.3
157.06494	1.3
157.10129	5.1
159.07985	1.4
159.11649	9.9
161.09558	4.6
161.13216	3.2
162.10326	1.0
163.11143	7.5
165.09081	2.1
165.12651	0.8
167.08514	1.0
169.10057	1.9
171.10258	1.2
171.11652	4.3
173.04402	1.4
173.09558	1.5
173.11778	1.4
173.13214	3.3
175.11171	4.2
175.14702	0.8
177.12720	3.9
179.10667	1.1
179.14326	0.8
181.10077	1.5
183.11641	2.0
184.62868	0.7
185.09570	0.9
185.13187	2.5
187.11171	1.2
187.14735	1.0
189.11180	6.4
189.12674	1.3
193.12149	1.6
195.11575	0.9
195.13814	2.7
197.13225	1.8
199.11195	1.4
199.14819	1.6
205.12190	2.7
207.13835	1.0
209.13231	1.0
211.14697	0.9
223.13214	19.2
227.12711	14.8
229.14410	1.4
229.19394	1.4
229.40047	1.1
233.15285	1.0
239.17868	2.6
245.18983	2.2
247.20630	0.9
249.14790	3.2
253.14244	3.7
255.15454	3.3
257.18976	5.5
259.20663	1.2
261.14780	0.8
262.15485	0.8
263.19955	1.3
267.15863	2.9
269.17441	15.1
271.16870	0.8
273.18417	15.6
275.17123	1.3
275.20013	21.2
291.19479	100.0
292.19809	2.5
293.17886	0.8
293.21017	2.9
297.22116	1.0
309.20517	1.2
321.24152	0.8
329.20892	0.9
331.22430	1.5
333.24216	1.7
347.22147	3.0
349.19562	1.5
349.23648	21.2
365.23132	43.7
366.23608	1.7
367.24887	1.3
381.22290	1.0
395.20627	0.9
413.21207	1.2
461.28925	2.4
477.28339	0.8
519.33307	3.8
527.33966	1.4
535.32495	2.5
541.35010	4.9
543.36554	1.3
545.34668	12.0
547.36694	0.8
559.36163	52.2
560.36414	2.3
564.43414	0.8
611.42535	1.0
621.41138	2.4
639.42450	42.0
640.42731	2.0
657.43518	5.7
703.40259	1.9
801.47052	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1016.5768
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01345	1.0
71.71261	0.8
71.71665	1.5
73.02857	0.9
77.03914	0.8
79.05477	38.8
81.03417	9.5
81.07040	42.1
83.04972	7.1
83.08157	1.2
83.08604	12.3
85.02885	4.1
85.06525	2.0
91.05462	37.8
93.07027	36.4
93.50684	0.8
95.01282	1.2
95.04957	13.1
95.08583	20.6
97.02876	9.6
97.06510	10.9
97.09576	1.2
97.10153	14.7
99.08020	1.2
103.05450	1.8
105.07007	30.1
107.04935	11.8
107.08571	27.0
109.02859	1.7
109.06523	6.3
109.10131	13.4
111.04436	2.0
111.08055	4.3
113.09621	0.9
113.28670	0.8
115.05440	2.2
117.07004	13.2
117.47422	0.8
119.04914	1.7
119.07741	1.1
119.08563	18.4
121.06481	4.4
121.10110	11.4
123.04395	1.2
123.08041	5.8
123.11671	3.3
125.09599	13.2
127.03852	3.0
128.06194	2.1
129.05415	1.1
129.06944	5.2
131.08534	14.7
132.05623	0.9
133.06468	4.4
133.10107	17.9
134.07257	1.1
135.08020	3.5
135.11658	7.5
137.05949	0.9
137.09586	3.9
139.11156	1.1
141.06935	1.9
142.07768	1.1
143.08562	5.6
145.06429	2.8
145.10106	13.7
147.04486	0.9
147.08037	6.8
147.11659	7.5
149.09587	9.6
149.13228	6.3
151.11143	3.5
153.09122	1.7
155.08507	1.8
155.10701	0.9
157.10127	5.6
159.08029	1.8
159.11652	7.7
161.09584	3.5
161.13243	2.4
162.10342	1.0
163.11154	7.3
165.09125	1.2
169.10069	2.0
171.11632	4.0
173.04445	2.0
173.09641	1.1
173.11780	1.2
173.13248	3.1
175.11157	3.4
175.14796	1.7
177.12698	2.1
179.10612	0.9
179.14240	1.5
181.12260	1.5
183.11716	1.4
185.13211	1.3
187.14742	1.2
189.11214	7.6
189.12692	1.5
193.12120	2.1
195.11836	0.9
195.13791	3.7
197.13283	1.8
201.16257	1.1
202.82912	0.8
205.12184	2.3
209.13309	1.0
211.13289	1.3
223.13243	15.6
225.53122	0.8
227.12755	18.5
227.14989	0.6
227.17834	1.3
229.19406	1.4
239.17958	2.0
245.13815	1.3
247.20540	1.7
249.14772	2.7
253.14299	2.8
255.15517	4.7
257.18948	7.3
267.15857	2.9
269.17441	16.9
273.18457	16.9
275.17682	0.5
275.20004	25.0
291.19492	100.0
292.19742	2.1
293.21002	2.7
309.20599	1.2
321.24371	1.1
331.22552	1.8
333.24197	1.7
347.22012	4.4
349.23669	22.5
365.23181	49.3
366.23227	1.2
367.24600	2.4
368.75565	1.0
381.22635	1.8
413.21622	1.1
461.28940	1.9
479.29980	1.1
519.32947	2.8
527.34094	1.2
535.32648	3.8
541.35901	4.0
541.43188	0.9
543.36584	1.9
545.34607	15.7
557.34406	1.6
559.36243	57.7
560.36194	1.8
599.38617	1.3
611.42505	1.1
621.41040	4.3
639.42407	53.4
640.42645	2.6
657.43475	6.6
661.55426	0.9
703.40790	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1014.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04985	3.7
73.02902	0.3
75.17331	0.2
77.03905	0.6
79.05479	3.6
81.03406	4.4
81.07044	44.4
82.07369	0.3
83.04967	0.5
83.08597	0.9
85.02887	4.8
85.06535	3.0
85.69281	0.3
87.04461	0.8
89.06021	1.0
91.05450	1.6
93.07027	5.7
95.04955	4.3
95.08595	9.3
97.02885	4.5
97.06528	0.6
97.10152	5.1
98.21497	0.6
99.04443	1.3
99.08077	1.3
102.04691	0.3
103.05452	33.2
104.05817	0.6
105.06992	1.4
107.04923	0.4
107.08565	2.4
109.02861	4.7
109.06505	1.6
109.10139	1.1
111.04422	1.0
111.08089	1.3
113.06017	0.5
115.03912	1.3
115.05518	0.3
117.07063	0.3
119.08554	0.4
121.10114	2.4
123.04440	0.5
123.08067	0.6
123.11686	36.6
124.12059	0.3
127.03904	5.7
131.04906	100.0
132.05226	1.8
133.04906	0.7
133.10103	2.3
135.04402	0.9
137.05957	1.2
139.11174	0.9
140.59569	0.3
141.12749	1.1
145.04961	0.7
147.04410	0.4
149.09680	0.5
150.07556	0.4
151.03891	1.2
151.11162	7.6
161.05949	1.6
162.06335	0.6
163.07518	63.6
164.07895	0.9
166.48842	0.3
167.10661	0.4
169.12216	17.5
170.12518	0.4
173.05943	0.5
175.03905	0.3
175.07515	0.3
177.05429	0.4
187.13269	23.3
188.13605	0.3
189.05440	1.2
201.05431	3.5
203.06938	0.6
219.06480	0.5
229.14386	1.6
231.06499	0.9
231.13765	0.3
249.14882	1.1
265.14343	0.4
277.14331	2.9
295.10312	0.5
295.15363	12.0
301.16379	0.5
313.16403	6.0
331.17462	40.4
332.17798	0.7
337.10632	0.4
355.11737	1.4
427.19565	0.4
445.20554	0.8
457.20618	0.4
463.22324	0.4
475.21991	0.5
494.11111	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1012.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04981	0.9
75.04455	1.1
77.03922	0.9
79.05018	0.6
79.05479	10.0
81.03397	6.9
81.03878	0.4
81.07046	2.9
83.04951	0.8
85.02888	5.7
87.04443	1.7
91.05455	8.9
93.07025	38.5
94.07363	0.4
95.04945	6.0
95.08579	2.6
97.02245	0.5
97.02875	9.9
97.06552	0.5
98.21471	0.6
99.04437	1.8
102.04585	0.3
103.05447	35.6
104.05760	0.4
105.04499	0.7
105.07003	5.9
107.04964	0.8
107.08566	10.1
109.02859	4.0
109.06493	1.2
109.10144	0.8
111.04453	1.7
111.08053	1.2
115.03925	1.4
115.05422	1.0
116.06207	0.6
117.06994	1.3
119.04928	0.5
119.08545	4.7
121.06495	1.8
121.10120	44.4
122.03661	0.3
122.10454	0.8
123.04439	0.9
123.08044	1.6
123.11700	0.7
125.05970	0.5
127.03906	2.7
128.06195	0.5
129.05470	0.4
129.06972	1.0
130.07802	0.3
131.04900	100.0
131.08546	3.1
132.05249	1.3
133.04955	0.9
133.06482	0.4
133.10088	1.1
135.04399	3.2
135.08026	0.7
137.05946	4.9
139.11162	2.0
141.07031	0.4
143.04967	0.7
143.08478	0.5
145.04929	1.5
145.06453	1.4
145.10100	1.4
147.04376	0.9
147.08014	1.1
149.02292	2.0
149.05960	0.8
149.09589	18.1
150.07553	0.5
150.09959	0.3
151.03888	3.1
151.07503	0.4
151.11188	0.4
157.06451	0.5
157.10086	0.5
159.04335	0.4
159.07997	0.7
160.57431	0.3
161.05939	0.9
161.09605	0.5
163.03888	1.0
163.07509	56.3
164.07817	0.9
165.05455	0.7
165.09094	0.5
167.10651	12.8
171.07922	0.4
171.11671	0.4
173.04448	0.3
173.05957	1.1
173.09544	0.5
175.03908	1.6
175.07494	2.5
177.05405	0.7
177.09071	0.9
183.04485	0.3
185.06050	0.4
185.09578	0.5
187.07494	0.8
189.05437	2.9
189.09047	1.3
191.10651	1.5
193.04860	0.3
195.08101	0.4
199.11063	0.4
201.05423	7.0
201.09146	0.7
203.06973	0.9
203.10625	0.3
209.11662	0.5
211.11163	0.4
213.05386	1.0
213.09142	0.4
215.06879	0.5
215.10643	1.5
217.08548	0.4
219.06444	2.9
225.11220	0.4
227.06657	0.3
227.10632	0.7
229.12131	0.9
231.06435	4.3
233.11658	0.4
241.06955	0.7
241.12256	0.5
245.11650	0.4
247.13367	0.6
249.07492	1.2
253.14389	0.3
255.13733	0.6
257.11630	0.5
273.14798	0.9
275.12762	1.4
281.13647	0.7
283.17252	2.5
293.13721	5.4
311.14786	23.6
312.15298	0.4
329.17245	1.1
337.10709	0.6
342.21713	0.3
349.10590	0.4
353.17108	0.4
355.11697	1.4
371.11456	0.3
381.16791	0.4
399.17737	0.7
407.16672	0.9
417.19073	0.6
419.17264	0.6
425.17981	0.9
437.18616	1.0
443.18973	0.7
455.20499	1.7
472.25641	0.4
473.21341	2.6
485.19128	1.0
503.20267	0.7
567.17957	0.3
629.23181	0.6
647.23810	0.5
665.25171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	2.4
56.05027	14.4
56.96545	6.0
57.04547	1.6
58.96152	2.7
59.06113	32.1
60.04510	8.4
60.29790	1.5
60.95843	4.2
68.02657	1.7
71.28905	3.5
74.02448	1.7
74.06071	4.3
83.01505	5.1
83.06078	2.5
84.01162	2.8
84.04480	3.5
100.02483	4.4
100.97188	2.0
101.00850	18.7
101.02535	27.0
101.07104	6.1
102.02214	14.6
118.03526	2.3
119.01900	100.0
119.03593	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	101.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.7
56.05028	15.7
56.96556	9.4
59.06118	31.4
59.99927	3.0
60.04517	11.9
60.95868	5.5
61.01741	1.9
70.40630	4.7
70.41025	5.3
74.02416	4.4
74.06051	7.0
83.01516	8.3
83.06108	3.4
84.01196	4.8
84.04491	6.2
98.20804	2.5
100.02462	6.9
101.00870	14.5
101.02543	36.7
101.07137	6.7
102.02213	17.7
118.03508	2.9
119.01907	100.0
119.03587	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	101.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	1.9
53.08067	0.5
55.01869	4.1
55.05503	9.8
56.05032	5.4
56.96557	13.8
57.03419	3.3
57.07063	0.7
58.06569	1.5
58.96135	0.7
58.99859	3.1
59.04996	4.2
59.06115	7.6
59.52164	1.0
59.93080	0.6
59.99916	1.3
60.04492	1.8
60.95841	4.2
61.02916	0.5
62.08068	0.5
65.52155	0.9
68.00238	0.8
68.02615	2.5
69.01896	1.5
70.76457	1.8
70.98087	1.1
70.99833	1.3
71.01318	1.5
71.04949	1.6
71.09503	0.5
71.95241	1.0
72.08127	1.9
73.02904	5.0
74.02429	5.3
74.06063	3.0
74.09657	0.5
75.01044	0.7
77.00871	6.1
78.00946	1.4
78.52927	0.9
79.00647	0.7
79.01817	1.8
80.52687	0.9
81.03381	0.6
82.01404	0.6
82.99836	0.6
83.00742	1.0
83.01485	2.9
83.04590	0.5
83.04974	6.4
84.01157	1.6
84.01595	0.9
84.04504	4.1
84.08118	2.0
84.95961	0.5
85.02899	6.2
86.38373	0.5
86.52702	0.7
87.01855	0.8
89.00825	1.1
91.05508	1.0
95.01929	2.4
98.97565	2.5
100.02467	7.7
101.00864	14.3
101.02530	21.7
101.06007	3.5
101.07117	1.0
101.07930	1.4
102.00941	1.3
102.02218	10.7
102.05528	3.5
102.09138	0.9
102.12810	1.0
105.00375	0.5
115.01139	0.9
116.98615	2.0
118.03497	4.8
119.01902	100.0
119.03596	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	1009.6954
Annotation	Unknow
Peak:m/z	Relative Intensity
70.61065	1.4
70.61430	1.6
77.03957	0.8
79.05075	1.1
79.05484	11.2
81.07043	25.2
82.07326	0.8
83.04967	34.9
83.08607	6.3
83.34058	0.7
91.05459	15.4
93.07030	27.2
95.04953	7.4
95.08588	36.8
97.06498	1.8
97.10125	1.3
99.07527	0.8
99.08068	4.6
102.00341	0.7
103.05440	0.9
105.07012	34.0
107.04901	0.9
107.08575	49.5
108.85873	0.7
109.06512	5.0
109.10143	17.8
111.08072	5.3
117.06998	4.8
119.08559	47.4
120.08911	0.8
121.06490	1.3
121.10121	23.5
122.10459	0.7
123.08040	6.1
123.11689	8.9
125.09610	20.0
128.06203	1.7
129.07001	3.6
130.07776	1.2
131.08549	22.2
133.06465	0.8
133.10110	30.2
135.08072	1.9
135.11661	11.9
137.09613	3.0
137.13211	1.1
139.07481	0.7
141.06993	1.2
142.07745	2.2
143.08542	10.9
144.09296	2.4
145.06386	0.8
145.10100	35.9
146.10522	0.9
147.04404	0.9
147.11661	27.0
149.09619	1.8
149.13246	11.3
151.07513	1.0
151.11143	2.4
153.09068	1.1
155.08516	2.8
156.09334	2.3
157.10103	13.9
158.10901	1.7
159.08051	1.1
159.10356	1.5
159.11670	29.3
160.11940	1.1
161.09647	1.8
161.13239	17.9
163.07523	3.4
163.11185	1.6
163.14786	7.1
167.08546	1.2
169.10127	5.0
170.10896	3.1
171.11659	13.5
172.12390	1.7
173.13232	22.9
175.07596	0.7
175.11220	1.4
175.14799	23.6
177.09146	1.8
177.12733	1.3
177.16348	8.8
182.10826	1.1
183.11687	7.4
184.12389	1.8
185.13231	20.2
186.13887	1.2
187.14792	35.1
188.15079	0.8
189.12762	1.3
189.16360	9.1
191.10663	1.0
191.14319	5.2
191.17960	2.5
193.15834	1.9
194.10861	0.8
195.11671	2.8
195.13423	0.8
197.13217	7.4
198.13942	0.9
199.14777	22.9
201.16357	31.7
202.16573	0.8
203.14290	13.2
203.17928	16.9
205.15863	16.7
207.17484	1.7
209.13223	2.8
211.14767	7.5
213.16342	17.9
215.14337	2.2
215.17796	3.6
217.15826	6.8
217.19426	0.8
219.13756	2.1
219.17395	5.6
221.13295	1.4
221.15334	2.7
223.14780	2.6
223.16849	0.9
225.16437	3.2
227.17929	4.1
229.15822	1.8
229.19505	1.1
231.13808	0.8
231.17436	5.8
233.15347	3.1
237.16368	2.1
239.17915	3.3
241.19554	4.3
243.17361	1.0
245.15344	9.4
247.16910	7.8
249.14792	7.2
251.17960	2.4
253.19481	3.4
255.21097	3.5
257.15344	1.0
257.19092	0.8
259.16898	8.4
259.19537	1.0
259.20682	1.1
265.19461	2.0
267.21036	4.5
269.22632	1.5
273.18542	1.4
277.17996	0.9
279.20932	1.7
281.22687	2.2
283.20313	1.0
285.18518	1.0
287.19873	1.0
293.22519	2.0
295.24042	1.0
295.68665	0.8
299.20251	1.6
299.23688	1.2
313.21497	1.0
323.27365	2.1
325.21487	1.4
335.23557	1.3
339.23260	1.9
341.24631	2.6
341.28476	4.4
347.27240	1.7
349.28781	1.2
351.23203	1.1
351.26917	1.5
355.26346	2.0
365.28497	1.4
369.27911	2.3
377.31885	1.8
387.30206	5.4
389.32129	1.3
393.27689	6.5
405.31451	37.1
406.31796	0.9
407.33200	9.8
411.28738	3.4
421.30856	3.0
423.32562	13.2
425.33945	2.2
433.30927	21.3
434.31357	1.0
439.31961	2.1
441.33545	4.3
443.35199	2.8
451.32010	69.3
452.32336	3.2
469.33087	100.0
470.33389	3.5
487.34247	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	1007.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01362	0.3
71.71591	0.4
71.71973	0.4
73.02911	1.8
79.05478	1.9
81.03425	1.0
81.07059	1.2
85.02889	3.5
89.36636	0.3
91.03963	1.5
91.05451	1.8
93.07024	2.1
95.08614	1.3
97.02888	3.5
101.02382	1.0
105.06989	1.5
107.08591	1.0
109.02871	0.4
109.10181	0.3
115.03942	0.4
117.07044	0.5
119.08591	1.0
121.10198	0.4
122.24653	0.3
127.03905	0.9
131.08601	0.5
133.10138	1.2
135.11725	0.3
145.04977	0.3
147.11720	0.6
165.42133	0.3
171.11549	0.4
183.72318	0.3
185.04289	1.1
201.03755	0.7
203.05423	0.5
213.20706	0.3
215.58438	0.3
235.22722	0.3
243.08470	1.6
301.08801	0.5
318.96164	0.3
333.20523	1.0
347.09280	1.9
350.09860	0.3
363.09097	1.3
365.10782	0.7
389.23035	0.4
401.27258	0.3
405.13626	5.5
415.52237	0.3
453.21231	0.3
463.14493	1.0
465.21268	1.0
477.16122	0.5
535.28741	2.7
542.39807	0.3
551.28259	3.0
606.36615	0.4
627.26294	0.6
697.34100	4.0
713.33313	2.8
785.36322	0.7
845.50134	0.7
909.47162	0.4
937.48907	0.4
1007.55359	100.0
1008.55823	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	1002.598
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01337	1.3
71.04965	7.5
73.02899	2.8
77.03928	2.6
79.05479	92.5
81.02992	1.8
81.03407	15.8
81.07041	100.0
83.04974	13.8
83.08610	19.4
85.02892	14.6
85.06515	5.2
91.03931	5.6
91.05461	92.2
93.07027	92.4
95.04951	17.7
95.08591	59.2
97.02885	10.8
97.06512	14.0
97.10152	13.9
98.21462	3.4
99.04417	2.9
99.08067	5.0
103.05460	2.9
105.04494	2.1
105.07011	88.9
106.07286	1.5
107.04926	10.2
107.08575	60.5
109.02837	3.8
109.06505	9.4
109.10142	27.7
111.04428	2.2
111.08038	6.1
113.09578	2.7
115.05430	4.2
117.07001	33.6
119.08558	65.9
121.06522	6.2
121.10123	33.8
123.08007	6.7
123.11678	9.3
124.43668	1.3
125.05910	1.3
125.09615	10.0
127.03883	5.8
128.06194	7.2
129.05455	3.1
129.06973	25.8
130.07761	4.4
131.08545	46.7
133.06476	2.1
133.10107	50.0
135.08025	8.5
135.10738	2.2
135.11673	26.2
137.09598	4.4
139.11162	2.4
141.06964	6.8
142.07747	5.5
143.08531	26.5
144.09146	1.7
145.04904	3.8
145.06421	2.8
145.10100	39.9
147.08020	4.9
147.11661	38.4
149.09586	15.3
149.13231	17.0
151.11134	4.1
153.06993	2.0
154.07742	2.7
154.68900	1.3
155.08519	13.4
156.09196	1.9
157.06470	1.9
157.10097	28.5
159.08032	3.1
159.11665	36.0
161.09595	3.9
161.13226	21.8
163.05984	1.5
163.07362	1.3
163.11115	7.9
163.14795	2.7
165.12720	2.9
166.07683	1.4
167.08504	7.3
169.10118	18.2
170.10809	1.3
171.07898	1.9
171.10225	2.2
171.11650	22.2
173.04378	3.7
173.09682	2.3
173.11809	1.8
173.13216	19.1
175.11240	2.6
175.14783	8.3
177.12703	5.0
179.08531	3.7
179.14232	3.5
181.10098	7.2
182.10788	1.9
183.11653	16.6
185.09572	2.3
185.11699	2.3
185.13200	17.6
187.11142	3.1
187.14786	7.2
189.11188	3.7
189.12659	2.9
189.16328	2.4
193.10112	4.4
193.12183	1.5
195.11667	10.7
195.13760	5.2
197.09512	1.9
197.13214	12.6
199.11194	2.1
199.14793	9.2
201.12619	1.8
201.16296	2.4
203.14450	1.4
207.11652	4.8
208.12262	1.6
209.13208	10.0
211.14906	7.5
213.12753	2.0
213.16367	6.2
215.17969	2.6
217.15807	1.8
219.11563	1.5
221.13184	3.9
223.14787	3.8
225.16382	3.4
227.12732	5.6
227.18121	2.0
229.14236	2.9
229.19507	3.0
231.21078	3.6
233.19037	2.0
235.14833	3.1
235.16949	1.5
237.16306	2.6
239.17877	6.6
241.19490	15.9
245.18921	1.8
247.14760	1.9
247.20509	1.7
248.70448	1.5
251.17926	2.0
253.14308	3.5
255.15790	12.0
257.18994	7.7
259.20541	41.3
261.22095	3.1
267.15851	3.7
269.17313	15.5
271.20575	2.9
273.18384	3.7
273.21899	1.5
275.20032	23.8
276.20380	1.4
277.21716	3.2
283.20425	3.1
288.75598	1.3
299.20181	1.4
302.59366	1.3
307.20251	1.4
309.21967	1.7
311.23593	2.4
313.21606	1.6
315.23370	7.3
321.21786	1.7
321.61908	1.3
323.23462	2.3
325.21417	2.7
327.22775	1.6
331.22791	2.2
333.24176	37.0
335.25949	1.9
339.23172	2.3
347.22818	1.5
349.23743	20.8
351.25015	3.0
363.26428	2.2
365.28323	2.5
367.24783	5.1
387.25525	1.8
405.31631	1.5
417.31183	2.2
421.30920	3.4
435.32367	8.6
445.30185	1.6
447.32349	1.6
453.33453	5.4
463.90955	1.4
471.34882	2.1
473.32565	2.0
485.32565	1.5
495.34216	1.9
497.36639	1.4
501.35233	2.0
509.36108	4.2
513.35699	28.9
514.36108	2.0
515.38214	8.6
517.38489	2.1
525.35626	2.2
527.37250	51.1
528.37708	2.4
531.36877	2.2
533.39642	4.2
537.35925	1.5
543.36658	3.6
545.38519	8.5
551.40594	3.0
553.38342	1.6
567.40350	1.7
589.42401	2.3
597.45251	3.1
607.43433	48.1
625.44495	50.5
626.44983	2.6
635.39685	1.7
653.40497	2.5
671.40924	3.1
689.42169	3.9
715.45984	2.7
730.83691	1.6
733.45868	1.8
751.47540	2.3
769.48236	5.3
787.49200	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	1000.5822
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06585	3.5
71.04997	3.6
71.71622	2.3
73.02892	2.4
79.05025	2.9
79.05481	46.5
81.03406	8.2
81.07040	43.7
83.04969	6.0
83.08611	12.0
85.02885	5.2
85.06525	2.9
85.19348	2.0
91.05461	44.1
93.07028	42.5
95.04971	15.1
95.08591	25.6
96.09010	2.2
97.02862	10.5
97.06508	2.4
97.09600	2.2
97.10136	15.4
103.05418	3.6
103.30467	2.2
105.07014	47.1
107.04939	8.9
107.08578	29.1
109.06497	7.4
109.10125	16.8
111.08066	3.5
117.06999	24.1
119.08566	41.7
121.06516	4.2
121.10108	14.4
123.08115	2.9
123.11701	4.5
125.09621	11.4
128.06172	2.8
129.06995	12.0
130.07857	2.8
131.08531	23.6
133.10112	24.6
135.08090	5.1
135.10768	2.0
135.11665	12.2
136.06177	7.6
137.09587	3.5
142.07751	4.0
143.08536	14.0
145.10089	19.5
147.08018	6.3
147.11664	18.7
149.09636	5.0
149.13268	6.3
151.11119	2.8
155.08578	3.3
157.10132	13.8
159.11655	16.8
161.09602	3.0
161.13245	13.4
163.11229	3.4
163.14702	2.6
167.08560	3.6
168.63626	2.3
169.10075	5.7
171.10341	2.9
171.11658	10.8
173.13271	7.4
175.14813	7.2
175.21909	2.1
181.10135	3.2
183.11624	4.0
185.13280	10.9
187.14835	3.6
189.11232	7.5
195.11681	3.8
197.13246	3.0
199.14781	4.6
204.10373	2.1
209.13298	3.2
213.16441	3.7
215.18027	2.6
223.13170	15.8
223.14975	2.0
227.12704	13.6
231.20967	3.2
234.66962	2.3
239.17961	4.0
241.19484	20.7
253.14439	6.8
257.18970	3.9
259.20547	41.8
260.16171	2.4
267.16019	2.9
273.18384	11.7
275.19916	3.5
291.19489	100.0
299.23813	3.4
315.23193	5.3
333.24191	38.2
335.26031	3.9
365.23163	41.6
379.29880	6.5
511.34406	5.2
525.35590	7.4
529.35004	5.2
531.38489	4.6
539.56213	2.3
543.36798	15.0
605.41779	10.5
623.42889	67.2
624.42780	3.0
641.44312	10.5
749.46051	2.4
905.52466	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	1002.5978
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06558	10.0
70.06969	5.1
71.04981	5.2
73.02918	4.9
79.05479	88.9
81.03403	16.6
81.07039	100.0
83.04961	12.5
83.08602	24.5
85.02882	22.9
85.06508	4.9
91.03929	8.2
91.05460	95.1
93.07027	93.4
95.04955	20.5
95.08585	64.4
97.02890	14.9
97.06509	11.5
97.10139	7.7
99.04457	3.3
99.08081	6.1
105.04515	4.7
105.07011	95.5
107.04937	7.3
107.07903	1.9
107.08573	55.8
109.02841	4.2
109.06512	7.6
109.10142	33.4
111.08050	6.6
115.05463	8.3
117.06994	42.1
119.08552	69.6
121.06473	5.4
121.10104	36.9
123.08039	9.7
123.11675	6.5
125.09629	4.3
127.03889	9.4
128.06194	12.0
129.05464	6.1
129.06976	33.4
130.07797	3.2
131.08545	54.3
133.06516	3.6
133.10109	49.2
135.08080	6.0
135.11661	20.8
137.09595	5.5
137.13206	3.1
139.11087	2.3
141.06953	10.4
142.07750	4.9
143.08524	25.5
144.09300	3.7
145.04900	5.0
145.06525	3.7
145.10103	46.1
147.08022	4.5
147.11665	39.5
149.09586	7.6
149.13251	15.6
151.11130	3.0
153.07024	3.5
154.07742	2.6
155.08528	17.9
156.09306	4.0
157.10083	26.6
159.11665	39.1
161.05661	2.3
161.09592	4.3
161.13240	19.5
163.06039	3.5
163.11160	5.0
163.76729	2.3
165.07077	2.2
167.08595	8.4
169.10074	19.0
171.11632	29.2
173.13219	23.2
175.14764	8.4
179.08466	4.8
179.14444	2.4
181.10124	8.5
182.10919	2.3
183.11667	22.4
185.09737	2.3
185.13179	18.5
187.11086	4.0
187.14801	8.7
189.12706	4.6
193.10078	3.9
195.11705	12.9
195.13542	3.7
196.12474	2.8
197.13231	18.0
199.14815	12.9
207.11699	4.0
209.13240	10.8
211.10966	2.4
211.14803	12.7
213.16376	7.7
215.14316	3.4
217.44955	2.2
221.13232	7.3
223.14793	9.6
225.16331	6.1
227.18022	3.3
229.14256	2.8
229.19508	2.9
235.14810	4.0
237.16432	6.0
239.18008	5.8
241.19630	12.7
249.16206	3.3
251.18083	4.0
257.19016	9.7
259.20560	29.5
261.22049	2.8
269.17230	12.8
271.20346	3.2
275.20004	10.1
277.21719	2.7
283.20593	3.9
285.21970	2.8
289.21722	2.4
311.23581	2.7
315.22998	5.4
321.21988	2.7
323.23508	3.0
328.56894	2.7
333.24234	28.0
335.25674	6.6
349.24078	4.6
363.26642	2.6
365.24579	3.1
417.31421	2.8
435.32446	7.7
453.33649	4.7
459.31143	2.3
471.34787	2.8
485.32928	2.4
499.33698	2.9
509.35855	2.6
513.35504	8.3
515.37347	4.9
517.40271	7.7
527.37292	27.6
528.37488	2.3
535.41510	6.0
539.37238	3.1
591.43317	5.2
607.43372	13.8
609.45001	81.0
610.45465	5.6
625.44128	13.9
633.28424	2.6
771.49487	6.0
859.40918	2.6
1013.70007	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1896
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
53.03936	1.4
54.93034	1.4
55.05491	4.5
57.07015	2.3
67.05494	6.7
69.07059	6.8
71.04991	3.3
71.15855	1.7
71.16169	3.2
71.59666	1.1
79.05479	7.3
81.07026	6.1
83.04908	1.9
83.08583	3.5
85.06509	2.7
91.05470	9.0
93.07027	11.8
95.04943	4.9
95.08595	11.8
99.08088	1.5
105.07018	21.7
107.08588	15.3
109.06515	6.5
109.10136	9.9
111.08045	2.8
115.05434	1.7
117.06975	4.5
119.08566	18.8
121.10130	65.8
123.08051	3.8
123.11700	2.0
128.06235	4.1
129.06956	4.5
131.08536	15.5
133.10120	10.1
135.08017	18.2
135.11685	3.6
137.09573	5.8
141.06990	1.5
142.07753	5.3
143.08560	18.7
144.09312	2.1
145.10110	20.5
147.11652	3.9
149.09595	5.4
151.11163	2.3
155.08546	3.8
156.09309	4.1
157.10114	23.9
158.10841	5.0
159.11674	23.8
161.09595	3.7
161.13254	2.6
163.11198	3.7
168.09312	3.8
169.10120	10.3
170.10872	1.8
171.11702	14.8
173.09578	1.9
173.13234	26.3
174.13957	3.1
175.11189	2.1
175.14807	3.5
177.12871	1.5
182.10890	2.2
183.11644	9.7
184.12473	5.5
185.13222	1.8
187.11166	6.3
187.14844	5.3
189.12668	2.4
195.11835	1.4
197.13240	10.2
199.14780	36.3
201.12766	7.0
208.05849	1.4
209.13278	2.3
213.16313	12.8
214.17195	3.3
215.14307	3.8
215.17856	9.3
224.15462	1.7
229.19527	2.2
239.17955	15.4
257.18973	100.0
258.19373	3.3
258.28058	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	258.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.6
55.01855	1.7
55.05478	1.3
56.05022	1.8
56.96560	5.2
57.03409	1.7
61.02900	1.7
64.95895	0.8
67.05482	1.2
68.05003	1.3
69.03423	15.6
69.07054	1.0
70.06563	2.4
70.25262	1.6
70.25680	2.2
72.04472	1.5
72.08112	1.2
73.02896	2.3
74.06038	2.1
79.05466	1.6
79.50404	0.7
80.05012	6.8
81.03403	4.6
81.05764	1.3
81.07014	1.2
82.06570	11.7
82.96688	0.8
83.01308	1.4
83.04969	1.2
84.04485	2.4
84.08128	4.9
84.95999	0.7
85.02898	13.6
86.09680	3.2
87.04456	1.2
91.05463	5.5
92.05724	0.8
93.07006	2.6
94.62267	0.7
95.04932	3.1
96.04476	0.9
96.08147	0.9
97.02881	16.6
98.06014	3.1
98.20650	0.7
98.97574	4.7
99.04416	1.7
100.03995	1.2
100.07658	0.7
103.05451	1.6
104.10757	3.6
105.07018	1.1
107.04911	1.1
108.03742	1.3
108.04459	17.0
109.02908	1.1
109.05170	1.7
109.06490	1.2
110.06013	0.9
111.04368	0.9
112.07555	2.5
115.03894	5.1
116.98580	3.3
119.01818	2.0
119.04900	3.0
121.06487	6.1
123.04375	1.6
124.03931	1.2
126.05495	47.0
126.07742	1.6
127.03924	1.1
127.06268	5.6
128.02347	0.9
129.10262	1.3
130.08612	2.7
131.04861	2.1
134.99628	1.8
135.04344	1.1
136.07619	0.8
137.05933	1.0
138.05501	1.2
146.02730	0.8
146.99612	1.5
149.02327	2.4
149.05975	5.3
152.07042	1.0
154.08653	1.2
155.04601	1.2
156.03256	2.0
158.99551	0.8
161.01176	1.1
166.04976	1.0
167.03397	0.9
168.03381	1.2
168.06477	1.7
170.03329	1.0
172.36639	0.7
174.04338	4.7
174.55162	2.6
175.04488	1.1
177.00691	2.2
177.05959	0.8
186.04361	6.9
187.02724	1.3
191.03821	0.8
204.05405	7.9
207.01692	1.2
228.05429	6.0
234.98929	2.7
240.08488	7.8
246.06483	1.4
258.09668	100.0
258.13184	5.2
259.06851	0.9
259.09943	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01373	1.3
52.88794	1.3
56.05017	6.9
56.34603	1.7
56.96543	5.1
57.03421	1.6
60.12253	1.3
65.03923	2.6
67.05494	3.3
69.03404	8.5
70.02923	1.5
70.06579	4.9
71.69242	1.4
71.69640	1.9
72.04507	15.0
72.08134	2.5
73.02894	2.4
74.02435	2.5
74.06067	33.4
79.05460	2.1
80.05008	3.4
81.03408	3.1
81.07024	1.9
82.06554	5.8
84.04487	5.7
84.08117	6.1
85.02880	6.9
86.06054	3.9
86.09708	2.6
88.07610	4.5
91.05456	4.3
93.07040	2.2
95.04953	3.6
97.02881	7.5
98.97564	3.9
104.10728	7.6
105.52374	1.5
108.04427	3.1
109.05123	2.0
109.06490	3.3
109.29047	1.5
110.06030	10.0
111.04389	2.9
112.07567	1.7
116.98589	3.3
119.04996	2.0
121.06488	2.6
122.05990	3.7
123.04421	1.7
124.03980	2.1
124.07552	5.3
124.99963	3.8
126.05491	14.7
126.09128	2.1
127.04050	1.9
127.05010	7.4
127.06023	1.6
129.10184	1.8
130.04971	2.4
130.08591	4.2
133.06392	1.5
134.99606	2.0
135.04433	3.2
136.07550	1.8
137.05965	4.7
145.54837	1.6
147.04402	2.2
148.07535	1.8
149.05913	2.8
150.09114	2.3
150.96933	1.8
152.07033	2.2
153.07826	5.5
154.08618	18.9
158.99580	2.0
162.09073	1.8
165.05452	1.5
166.08632	2.9
177.00635	1.9
177.05800	2.1
178.08588	2.1
180.10141	5.1
190.08591	2.1
208.09662	13.8
222.07405	1.5
226.10706	10.6
230.24767	1.6
234.98984	5.7
240.12341	4.7
252.99872	1.8
258.00500	3.8
258.09534	8.2
258.10831	7.6
258.13379	100.0
259.13440	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
55.01866	3.4
55.05500	2.9
56.05034	2.2
56.96299	2.4
56.96559	25.7
57.03430	4.2
58.99856	4.7
61.02922	2.2
65.03918	4.4
67.05492	7.4
69.03426	12.5
70.06580	9.5
70.11442	9.5
70.99846	3.7
71.04988	3.3
72.08135	3.2
73.02898	3.6
74.00681	2.4
74.06046	4.1
77.00887	6.1
79.05471	15.4
81.03402	13.5
81.07043	8.7
83.04967	3.4
84.04495	6.2
84.08123	14.1
84.96033	2.9
85.02893	10.2
85.08460	2.3
86.06059	2.4
86.09725	2.1
87.06699	1.8
89.00916	4.2
91.02450	5.4
91.05491	11.0
94.06548	2.3
95.01900	2.1
95.04969	11.0
95.08558	2.1
95.17337	1.9
97.02883	8.1
98.97567	21.7
99.04451	2.2
100.02185	23.8
101.00865	19.3
102.05517	1.9
103.02457	2.4
107.04959	8.6
108.04441	2.3
108.05199	1.7
109.06502	5.4
110.06039	2.2
111.04422	6.4
112.16354	2.0
114.05534	3.2
114.55774	1.9
115.02399	5.0
116.98607	22.4
117.06924	1.9
119.01905	83.6
119.04931	7.1
120.02035	2.2
121.01626	2.6
121.06487	3.4
122.06046	1.9
123.04404	14.7
124.04760	2.3
125.05981	2.0
126.32009	1.7
127.03915	3.9
128.98590	5.5
129.10207	3.6
129.95952	1.6
130.04961	1.9
130.10591	2.0
131.01868	11.8
132.10243	2.6
133.03448	28.1
134.99634	13.5
135.04427	7.4
137.02017	2.9
137.02950	21.4
137.05943	4.6
138.85567	1.6
139.00024	3.7
140.03412	3.0
143.01913	3.5
145.03453	5.5
146.02675	24.4
146.99678	5.7
147.01393	3.7
147.04375	4.2
148.02835	2.1
149.01122	2.4
149.02919	9.9
151.04550	9.7
156.05049	2.0
156.99861	2.4
157.03444	3.5
158.56554	2.9
158.99641	5.9
161.02983	13.0
163.04565	2.0
165.00710	2.4
165.05441	3.9
167.04053	4.3
169.03378	2.8
171.01410	15.7
173.02837	4.2
174.99194	7.9
175.00880	38.9
175.04494	2.5
177.00752	10.9
177.02344	2.1
177.04173	2.2
177.05957	1.8
179.03938	2.0
183.05040	2.7
183.06512	4.0
185.01250	2.4
187.04530	2.3
189.00856	2.4
189.02434	54.2
189.04178	3.0
190.09138	2.0
191.02290	3.2
191.03937	3.9
193.00198	9.9
193.01961	16.3
193.03430	2.6
194.01936	2.1
196.09602	3.0
199.02263	20.1
201.04167	6.6
203.03938	2.9
205.00220	2.4
207.03484	6.1
211.04535	2.5
212.04042	3.9
213.00642	2.9
213.06862	5.2
217.00140	5.5
217.01935	52.6
219.01718	2.2
221.05017	5.0
223.04489	3.4
231.03409	3.1
233.04893	2.8
235.01108	3.3
235.03023	31.8
240.03519	6.7
241.03262	11.4
241.08966	2.1
242.10144	4.1
249.04541	3.5
258.99921	3.7
259.04257	100.0
259.06964	8.8
259.10022	3.0
259.13898	3.3
259.16541	5.8
260.11230	2.9
277.00858	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	259.1689
Annotation	Phomallenic acid B
Peak:m/z	Relative Intensity
53.03918	1.7
55.01846	2.9
55.05500	4.4
57.03415	1.9
58.43033	0.8
67.05505	4.8
69.07059	6.9
71.04963	1.6
71.70790	0.9
79.05488	8.0
81.03388	0.9
81.07056	5.2
83.08588	2.1
85.06503	0.9
89.03913	1.5
91.05455	7.4
93.07038	5.2
95.04951	1.5
95.08562	2.8
97.05943	1.2
97.06518	16.6
97.10105	1.0
99.08106	0.9
103.05424	0.6
105.07011	6.8
107.04954	0.9
107.08578	9.7
109.02827	2.4
109.06516	1.1
109.10130	2.2
111.08018	1.0
115.05415	2.7
117.03316	0.9
117.07027	3.6
119.08563	19.4
121.06487	1.3
121.10103	2.8
128.06183	2.4
129.06970	2.7
131.08563	9.8
133.02835	0.9
133.10100	4.7
135.04411	2.6
141.06973	3.3
142.07761	1.7
143.08559	9.0
144.05716	0.9
145.02821	1.4
145.06499	1.3
145.10097	7.4
146.06961	0.9
147.04356	1.6
147.11713	1.3
149.13255	1.8
151.07587	1.0
155.08519	1.3
156.09326	1.4
157.10095	9.2
159.04428	1.0
159.08008	2.1
159.11668	2.8
160.05139	3.5
161.02296	3.1
161.05936	6.8
163.03905	8.8
163.07481	1.1
167.08551	1.6
169.06525	5.2
169.10097	1.4
171.08012	1.3
171.11664	15.7
173.02327	7.4
173.13266	3.6
175.03862	2.0
175.07523	1.0
175.11040	1.0
177.09084	13.2
183.11642	3.6
184.12450	0.9
185.05984	1.3
185.09499	0.9
185.13271	3.8
187.07510	2.2
187.14769	0.9
189.09084	8.7
195.08000	1.0
197.05949	1.4
198.13988	3.4
199.14803	1.4
200.04630	3.8
201.16342	1.6
211.14754	1.1
213.09145	2.1
213.16357	100.0
214.16704	3.2
215.07014	15.5
215.17917	2.1
216.54260	0.8
217.05005	0.9
217.08559	2.3
226.72627	0.9
231.17413	12.9
241.08519	0.7
241.19514	1.0
259.09610	12.9
259.16913	37.9
259.20468	2.8
259.23135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
51.27732	0.4
53.03934	1.6
55.01849	1.2
55.05503	11.7
57.03416	1.3
57.07065	2.1
65.03928	1.3
67.05495	20.1
69.03401	0.5
69.07059	8.1
71.04977	1.7
71.08624	0.7
71.44680	0.9
77.03867	0.6
79.05482	18.6
81.07045	22.0
83.04961	0.9
83.08607	3.2
85.06510	2.0
89.50595	0.4
91.05466	39.3
91.44346	0.4
92.05741	0.4
93.07035	18.8
95.04977	2.3
95.08588	14.3
97.06514	4.5
97.10157	0.7
99.08077	1.8
103.05451	1.4
105.07014	57.2
106.07304	0.8
107.08577	11.0
107.33148	0.4
109.06484	1.0
109.10138	5.3
111.08044	1.0
113.09605	0.5
115.05444	1.2
116.06229	0.5
117.06998	13.5
118.07796	0.8
119.08564	43.1
121.10134	6.3
123.08012	0.6
123.11649	0.9
125.09610	0.7
125.47101	0.4
127.53629	0.5
128.06219	1.6
129.06987	8.4
130.07713	1.1
131.08549	20.4
132.09334	0.8
133.10110	38.1
135.08009	1.6
135.11667	4.1
137.09624	0.8
141.07021	0.7
142.07739	1.4
143.08542	9.7
144.09294	0.8
145.10109	16.9
146.10867	0.7
147.11667	29.6
149.09589	1.8
149.13223	3.3
151.11156	0.7
155.08548	0.5
156.09332	0.9
157.10114	7.7
158.10907	0.6
159.10355	0.9
159.11678	15.9
160.12465	0.8
161.09590	1.5
161.11894	1.0
161.13239	20.0
162.13646	0.5
163.03851	1.6
163.11143	1.5
163.14816	0.7
169.10086	0.5
170.10948	0.5
171.11653	10.9
173.02277	0.7
173.13226	9.7
175.11194	1.1
175.14790	9.4
177.12729	1.5
183.11595	0.5
185.13219	9.1
187.14767	1.5
189.12750	1.0
189.19272	0.4
192.64139	0.5
199.14786	5.8
201.16321	0.7
203.14307	0.7
213.16403	3.2
215.07033	0.9
215.17947	1.5
217.04802	0.5
217.15872	1.5
217.19510	0.5
231.17549	1.1
231.21126	2.2
241.19484	19.4
247.50304	0.6
259.20538	100.0
260.20880	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2053
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.02375	0.4
51.27732	0.4
53.03934	1.6
55.01849	1.2
55.05503	11.7
57.03416	1.3
57.07065	2.1
65.03928	1.3
67.05495	20.1
69.03401	0.5
69.07059	8.1
71.04977	1.7
71.08624	0.7
71.44680	0.9
77.03867	0.6
79.05482	18.6
81.07045	22.0
83.04961	0.9
83.08607	3.2
85.06510	2.0
89.50595	0.4
91.05466	39.3
91.44346	0.4
92.05741	0.4
93.07035	18.8
95.04977	2.3
95.08588	14.3
97.06514	4.5
97.10157	0.7
99.08077	1.8
103.05451	1.4
105.07014	57.2
106.07304	0.8
107.08577	11.0
107.33148	0.4
109.06484	1.0
109.10138	5.3
111.08044	1.0
113.09605	0.5
115.05444	1.2
116.06229	0.5
117.06998	13.5
118.07796	0.8
119.08564	43.1
121.10134	6.3
123.08012	0.6
123.11649	0.9
125.09610	0.7
125.47101	0.4
127.53629	0.5
128.06219	1.6
129.06987	8.4
130.07713	1.1
131.08549	20.4
132.09334	0.8
133.10110	38.1
135.08009	1.6
135.11667	4.1
137.09624	0.8
141.07021	0.7
142.07739	1.4
143.08542	9.7
144.09294	0.8
145.10109	16.9
146.10867	0.7
147.11667	29.6
149.09589	1.8
149.13223	3.3
151.11156	0.7
155.08548	0.5
156.09332	0.9
157.10114	7.7
158.10907	0.6
159.10355	0.9
159.11678	15.9
160.12465	0.8
161.09590	1.5
161.11894	1.0
161.13239	20.0
162.13646	0.5
163.03851	1.6
163.11143	1.5
163.14816	0.7
169.10086	0.5
170.10948	0.5
171.11653	10.9
173.02277	0.7
173.13226	9.7
175.11194	1.1
175.14790	9.4
177.12729	1.5
183.11595	0.5
185.13219	9.1
187.14767	1.5
189.12750	1.0
189.19272	0.4
192.64139	0.5
199.14786	5.8
201.16321	0.7
203.14307	0.7
213.16403	3.2
215.07033	0.9
215.17947	1.5
217.04802	0.5
217.15872	1.5
217.19510	0.5
231.17549	1.1
231.21126	2.2
241.19484	19.4
247.50304	0.6
259.20538	100.0
260.20880	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2052
Annotation	Bactacine
Peak:m/z	Relative Intensity
53.03931	2.0
55.01871	1.9
55.05508	8.6
57.03431	1.6
57.07056	2.5
65.03931	1.5
67.05176	1.7
67.05498	15.7
69.07062	6.6
70.75395	4.2
71.04978	2.5
79.05483	13.7
81.07052	18.7
83.08599	3.1
85.06531	1.8
91.04917	2.2
91.05470	32.9
93.07028	13.8
95.04964	1.6
95.08588	12.4
97.06519	3.9
99.08131	1.5
102.09362	1.2
105.07020	39.1
107.04936	2.1
107.08591	7.8
109.10126	3.7
114.06674	1.4
117.06993	11.0
119.08561	33.2
121.10104	5.3
123.08108	1.5
128.06203	1.8
129.06989	7.6
131.08545	15.0
133.06430	3.4
133.10115	23.3
135.08049	4.7
135.11671	2.2
136.16508	1.2
142.07716	2.3
143.08548	9.2
145.10107	9.6
147.08026	3.4
147.11682	20.6
149.09610	1.8
149.13243	1.7
157.10112	9.1
159.11694	7.3
161.09581	3.1
161.13252	14.9
163.03885	2.0
163.11217	2.0
171.11679	9.9
173.13280	6.1
175.11180	2.5
175.14781	10.1
185.13232	7.5
187.14815	2.3
189.12753	3.3
189.16428	1.3
199.14850	2.6
203.14348	2.2
213.16342	1.9
215.17914	2.2
231.17418	1.5
231.21062	2.1
241.19502	15.0
259.09726	1.5
259.20544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2052
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03937	1.6
55.05507	12.8
57.03415	1.7
57.07062	3.6
65.03929	1.2
67.05493	18.7
69.07057	9.5
71.04976	1.3
71.08620	1.4
71.72019	1.8
79.05490	20.7
81.07047	19.8
83.08614	6.2
85.06525	1.4
91.05469	41.5
93.07036	19.0
95.04949	3.0
95.08607	12.4
97.06510	3.6
97.10139	1.1
99.08076	1.9
101.57120	1.1
103.05441	2.7
105.03368	2.3
105.07019	78.3
106.03785	0.9
107.08574	9.8
109.06502	1.5
109.10153	5.9
115.05442	2.7
116.06231	1.6
117.07005	38.1
118.26552	0.9
119.08561	44.1
121.10133	7.1
123.08002	1.0
123.11633	1.0
128.06226	4.8
129.01761	1.2
129.06973	18.4
130.07761	2.5
131.08549	44.8
133.10117	39.1
135.08086	1.3
135.11673	6.0
137.09621	1.1
138.38249	1.0
141.06999	1.4
142.07727	2.9
143.08549	24.2
145.10106	32.0
147.11665	30.2
149.09602	1.9
149.13232	2.7
156.09238	1.2
157.10139	14.4
159.11673	47.3
161.13243	24.1
171.11684	21.9
173.13235	33.0
175.14815	7.6
177.12677	1.6
185.13228	21.1
187.14803	3.3
189.12759	1.8
199.14793	16.9
213.16330	5.9
215.17909	2.8
231.21054	2.8
241.19479	31.5
242.19684	1.4
259.20547	100.0
260.21106	1.7
277.73938	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2053
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03922	1.8
55.05504	9.4
57.07046	2.5
59.60019	2.0
67.05478	8.4
69.07060	35.8
69.29208	1.6
69.68954	7.4
69.69379	7.9
71.04977	24.8
79.05479	5.3
81.07049	14.0
83.04971	5.0
83.08594	7.5
85.06523	22.5
89.49003	1.9
91.05463	7.9
93.07036	9.8
95.04921	2.0
95.08606	16.0
97.06499	2.9
97.10096	1.9
105.07017	22.4
107.08578	18.9
109.06489	6.9
109.10149	13.7
111.08060	8.2
117.06989	7.2
119.07729	3.7
119.08559	51.1
121.10118	12.4
123.08046	1.9
123.11687	23.5
129.06979	3.0
131.08542	14.1
133.10101	36.9
135.08023	11.8
135.11642	4.6
137.09587	4.2
142.07710	2.4
143.08534	5.9
144.09332	2.7
145.10098	29.0
147.08093	2.8
147.11659	16.7
149.13246	3.1
151.11182	2.2
156.09424	2.5
157.10091	12.6
157.65968	1.8
159.11671	30.1
161.09605	2.4
161.13232	34.7
163.11156	2.2
170.10919	2.5
171.11632	17.7
173.13249	10.2
175.11220	6.0
175.14806	81.9
176.15532	3.1
177.12714	4.1
177.16298	3.0
185.13152	14.4
187.14760	2.2
189.12729	3.0
189.16380	4.4
190.13527	2.5
191.14211	2.1
199.14751	7.0
201.16374	30.6
203.14345	8.8
215.17912	5.2
217.19490	3.9
241.19498	18.3
259.20529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81892	0.7
53.03928	3.1
55.01860	4.8
55.05501	3.6
56.05027	7.1
56.96556	21.4
57.03416	2.7
58.06587	3.4
58.80859	0.7
60.04507	1.9
60.18351	0.7
61.02909	2.4
65.03934	6.4
67.05494	8.2
68.05025	1.8
69.03421	13.7
69.07058	2.3
70.02942	1.4
70.06579	4.0
71.01344	1.2
71.04942	0.9
71.69042	0.9
71.69420	0.8
72.04526	0.8
72.08141	10.7
73.02905	2.3
74.06067	14.4
74.78288	0.6
74.97601	0.8
77.03941	0.7
79.05482	20.8
80.05003	1.2
80.05813	1.0
81.01823	0.7
81.03407	11.9
81.07043	12.4
82.06567	2.2
83.04972	7.7
83.06078	1.7
84.04489	12.7
84.08131	100.0
84.96013	2.1
85.02887	10.2
86.06057	5.4
86.09695	18.9
87.04453	1.5
91.03958	0.9
91.05468	18.8
91.06042	1.5
92.05788	1.0
93.03411	1.1
93.07018	1.7
94.06566	2.3
95.04957	20.7
95.08566	0.9
96.04478	1.4
96.08121	1.3
97.02869	7.4
97.06511	3.1
98.06052	2.8
98.97565	22.7
99.04443	2.0
100.02195	0.9
100.07616	1.7
101.00832	1.4
101.10776	3.0
102.00932	0.8
102.05536	1.3
102.97021	1.1
105.04487	1.2
105.07024	2.0
106.06546	1.5
107.04939	14.4
107.07359	0.6
108.08118	0.9
109.02892	2.6
109.06487	8.8
110.06044	1.9
110.97559	3.1
111.04425	9.2
111.09144	0.7
112.03988	0.9
112.07608	0.9
112.30502	0.7
114.05518	1.1
115.02319	1.2
115.03951	0.8
115.08688	0.9
116.98602	18.4
116.99384	1.3
119.01881	5.1
119.04928	9.1
120.01982	4.0
120.08128	1.3
120.98070	0.7
121.01633	0.9
121.02899	1.2
121.06498	2.0
122.06024	1.9
122.09679	1.9
123.04411	28.2
124.04751	1.3
124.07559	1.0
125.05985	2.9
126.05482	0.8
127.03887	2.2
128.02319	2.4
128.03380	1.0
128.98590	6.7
129.10223	15.5
129.11174	1.1
130.05028	1.9
130.06572	1.1
130.08636	6.7
131.01886	1.2
132.08075	1.9
132.10136	1.6
133.05089	0.8
133.06491	1.7
134.03612	2.0
134.99641	10.1
135.04385	9.2
136.04768	1.1
136.07587	2.3
137.02866	1.1
137.05956	5.9
137.08372	0.7
138.03160	1.0
138.05453	0.8
138.09059	1.1
139.03874	1.9
140.03398	13.3
140.07021	1.3
142.08661	0.8
143.00143	1.8
143.01804	0.9
143.11765	6.8
146.99640	7.2
147.03212	1.2
147.04407	7.9
147.07619	1.6
147.11278	10.1
148.06003	1.1
148.07555	2.0
149.05995	1.7
150.09111	5.7
151.07518	1.3
152.07024	1.6
153.00745	1.3
153.05443	4.7
155.07068	0.7
156.98076	3.7
158.01230	0.8
158.04482	14.2
158.99629	9.5
160.06464	1.0
160.07637	1.8
161.01192	2.7
161.02914	1.6
161.05974	0.9
162.05492	1.0
162.99176	1.1
163.02734	1.3
163.03961	1.3
164.07057	1.1
165.00752	1.8
165.05450	8.2
168.10258	0.9
169.02507	3.3
169.04547	1.3
169.07349	0.7
170.99654	1.6
171.03143	2.0
171.11295	2.3
173.01237	1.5
173.03036	1.0
174.00713	1.5
174.99130	27.2
175.99561	1.3
176.01024	2.3
176.02380	1.2
177.00690	12.9
178.08574	3.8
179.07007	1.0
180.06528	1.8
180.55339	1.2
183.06503	9.9
184.06874	0.8
185.01257	1.3
186.03922	7.9
187.02783	0.9
189.00754	2.0
189.12405	1.1
190.02640	2.7
191.02251	1.7
192.01859	1.2
192.03667	1.8
193.00179	40.8
194.00426	1.5
194.08148	1.0
195.01900	1.3
196.09679	9.4
197.01286	0.8
197.12766	1.5
198.00734	2.0
198.07610	5.9
199.02808	1.5
200.02419	1.3
200.05479	6.4
201.00748	1.0
201.04137	4.4
205.00150	1.0
206.08014	1.1
209.01237	1.1
210.04709	3.2
211.01241	3.1
214.10829	4.6
216.01804	1.6
216.08626	1.0
217.00162	24.0
218.02155	3.0
219.01738	5.2
224.09195	4.4
225.15923	0.9
227.02327	1.7
235.01192	13.3
236.03259	1.7
237.02814	4.0
239.02414	0.9
242.10240	21.1
242.15076	1.7
242.18655	1.6
243.17030	6.8
255.03835	0.9
257.03314	1.3
258.02945	1.1
260.04520	3.7
260.07227	1.6
260.11325	13.0
260.16907	1.2
260.19632	14.6
261.05759	5.5
277.02225	3.3
279.04007	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01859	7.8
55.05500	5.3
56.05026	10.1
56.96554	30.3
57.03426	7.3
58.06576	6.3
58.99844	2.2
59.04971	2.3
60.04509	2.2
61.02908	5.8
63.67027	2.3
65.03927	6.6
67.05494	19.1
68.05009	5.8
69.03418	16.9
69.07045	3.3
70.02946	3.2
70.06573	11.4
70.54740	5.7
71.01344	6.2
71.95262	2.7
72.08147	21.9
73.02891	4.4
74.05678	3.6
74.06070	62.7
74.97599	2.9
77.00909	3.3
79.05476	21.3
80.05005	2.3
81.03401	20.7
81.07038	9.2
82.06572	5.7
83.01331	3.7
83.04972	20.2
84.04483	11.4
84.08134	72.5
84.96027	6.9
85.02898	33.0
86.06055	7.6
86.09698	24.1
87.04440	3.9
91.05468	13.2
93.07056	6.0
94.06572	14.6
95.04956	37.3
96.04481	3.9
96.08126	2.6
97.02866	17.4
97.06503	4.4
98.06051	7.0
98.97565	32.4
99.04430	3.1
99.06831	5.0
101.00861	5.9
102.05540	2.3
105.07019	6.4
106.06570	4.3
107.04948	15.0
108.08096	5.7
109.02869	3.7
109.06489	7.4
110.06031	6.6
110.97553	2.6
111.04430	36.6
112.07575	2.7
113.00871	3.1
114.05492	3.7
115.00719	2.6
115.02370	4.0
116.98604	24.7
119.01907	13.1
119.04905	5.1
120.01998	15.1
120.08052	3.0
121.01656	5.5
121.02860	2.3
121.06479	3.1
122.06000	8.2
122.09651	8.7
123.04411	22.2
125.05990	2.9
127.00616	2.2
127.03918	3.5
128.07027	3.8
128.98573	7.5
129.10222	11.6
130.04991	5.5
130.08594	6.4
131.00175	2.3
131.01900	5.0
132.02010	3.4
132.08092	6.3
133.01749	2.5
133.03430	6.6
133.06445	4.0
134.03548	6.9
134.06003	6.2
134.99641	9.7
135.04395	4.0
136.07574	5.3
137.03011	2.6
137.05971	7.5
138.03001	2.1
138.05421	3.1
138.09091	9.6
139.03844	7.2
140.00130	2.1
140.03394	6.8
143.00090	5.3
143.01868	2.8
143.11803	11.9
145.03465	3.9
146.99663	9.7
147.04324	3.6
147.07613	6.5
147.11282	8.3
148.07584	4.6
149.01183	2.7
149.02881	2.6
149.05983	3.1
150.09114	9.8
151.03905	3.6
151.07594	2.6
153.00633	2.0
153.05399	2.5
157.01707	2.0
157.03380	3.1
158.04375	3.6
158.99648	8.2
160.06458	3.4
160.07573	3.6
161.01250	5.0
161.02933	6.5
161.04617	3.4
162.05518	2.4
163.02664	3.2
163.04231	3.4
164.65697	1.9
165.05464	4.4
166.08633	10.6
167.09416	3.5
168.55231	3.1
169.04823	9.1
170.05153	12.8
170.08174	3.2
171.05013	3.2
171.11252	4.3
173.01309	4.3
173.02943	4.5
174.99193	3.2
175.00810	3.3
176.01015	9.0
177.00679	10.0
178.08665	6.2
179.02225	2.9
179.07079	3.8
181.04997	3.3
183.04962	2.5
183.06528	4.7
186.03978	4.2
189.00752	5.5
189.02414	4.0
190.02576	7.1
191.04025	2.2
194.02046	4.3
195.04976	2.6
196.09688	40.8
198.07579	33.4
199.04413	4.1
199.06068	4.6
201.00633	5.8
201.04121	2.4
203.02223	2.5
208.21815	2.0
214.10747	25.6
217.01947	3.3
218.01990	10.9
219.01678	13.4
221.05177	3.2
223.04578	3.5
224.09216	15.6
229.03358	3.7
234.99896	2.1
236.03087	6.9
237.02791	17.1
242.10197	100.0
243.17108	6.4
259.99942	6.7
260.04474	4.3
260.11270	41.1
260.19601	14.8
260.99539	1.9
261.02917	7.3
261.05832	24.6
261.08273	3.2
278.00818	5.4
279.00650	4.6
279.03613	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	1.9
60.87001	0.6
63.79436	0.6
70.54099	1.5
81.03393	0.7
82.99845	0.9
98.56559	0.5
98.97563	7.3
101.00858	3.7
116.98608	5.4
119.01903	14.6
128.98505	0.6
134.99658	2.2
137.02919	1.6
143.01900	1.7
145.03455	1.9
158.99796	1.2
161.02960	3.0
173.03032	0.8
176.99626	0.8
177.00920	18.0
178.01076	0.7
189.02437	2.0
195.02039	0.9
201.00839	1.6
201.02557	0.7
214.96535	9.2
217.04037	2.7
218.49007	0.6
219.01984	24.1
220.02095	1.9
221.01875	1.1
225.00981	2.2
237.02847	0.9
237.98193	3.5
243.01959	7.3
243.04169	0.8
256.96735	2.6
261.03027	100.0
262.03247	4.6
274.97720	0.8
279.00653	2.4
284.04602	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02380	0.7
53.03936	4.4
53.04145	0.6
53.06964	0.6
55.01860	1.7
55.05503	16.8
57.03414	1.8
57.07066	6.4
60.39090	0.7
65.03929	2.7
67.05494	50.8
69.07059	14.0
71.04979	2.4
71.08620	4.4
71.71352	0.9
77.03918	1.0
79.05479	78.8
81.03406	1.1
81.07041	58.6
83.04967	2.5
83.08611	8.3
85.06525	5.1
85.10159	1.9
89.74536	0.6
91.05464	39.7
93.07027	100.0
95.04950	9.6
95.08588	41.7
97.06533	5.0
97.10163	3.1
99.08085	4.8
103.05416	1.3
105.04515	1.2
105.07011	23.6
107.04927	1.1
107.08575	59.9
108.08921	0.9
109.06488	3.7
109.10132	13.5
111.08062	2.5
113.09621	2.0
117.06991	11.0
119.08559	18.7
121.10125	42.9
122.10426	0.8
123.08051	2.9
123.11706	4.6
125.09628	0.7
129.06976	1.3
131.08554	20.7
133.10104	15.0
135.08022	1.7
135.11670	34.9
137.09587	1.6
137.13263	2.6
145.10094	20.1
147.11667	10.9
149.09563	3.4
149.13231	24.3
151.11151	1.3
151.14806	1.7
151.80676	0.7
153.12634	1.1
159.11656	13.7
161.13234	11.1
163.11205	1.0
163.14786	17.8
164.05898	0.8
165.12762	1.1
173.13237	14.3
175.14786	5.5
177.16345	5.2
179.14273	1.4
187.14818	7.8
189.16315	1.3
201.16353	3.0
203.17912	1.5
205.15924	1.2
215.17905	4.6
217.19391	1.3
219.17413	1.1
233.22527	3.7
243.21060	32.6
244.21489	1.3
260.68484	0.8
261.07336	1.1
261.22092	92.3
262.14316	0.8
262.22421	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	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.24929	1.0
53.03923	5.1
54.03106	1.1
55.01855	1.1
55.05501	18.6
56.22549	1.2
57.03423	1.6
57.07071	5.7
65.03926	2.5
67.05496	50.8
68.48740	1.2
69.07063	15.4
69.66889	10.1
71.04970	2.7
71.08607	2.8
79.05483	66.8
81.07046	54.6
83.04958	1.4
83.08611	10.4
85.06523	4.2
91.04929	2.1
91.05470	37.3
93.07033	84.6
95.04960	6.0
95.08015	2.5
95.08597	42.1
97.06507	5.6
97.10133	3.6
98.21451	1.7
99.08067	4.6
105.07014	24.2
107.08581	56.0
109.06491	3.9
109.10142	21.2
111.08050	4.0
113.09631	2.0
117.07023	8.3
119.08560	20.0
121.06521	1.5
121.10133	47.1
123.11694	5.1
129.06995	1.4
131.08553	20.7
133.10109	18.2
135.11684	37.2
137.09554	2.9
145.10138	18.2
147.11667	13.8
149.13240	26.6
151.11154	2.2
151.14799	1.6
153.12662	1.4
159.11678	14.3
161.13239	15.6
163.14810	18.9
165.12741	1.9
173.13237	13.6
175.14786	4.7
177.16379	6.6
179.14413	1.6
182.66945	1.2
187.14816	7.2
201.16333	3.0
215.17941	26.7
227.25998	1.4
233.22676	1.9
243.21048	37.4
261.03958	1.2
261.18671	6.2
261.22113	100.0
262.14346	5.5
262.22421	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	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02381	0.5
53.03932	2.3
55.01854	1.2
55.05504	13.8
57.03418	1.4
57.07068	4.7
65.03919	1.4
67.05496	46.9
69.07060	14.3
71.04982	2.5
71.08618	1.7
77.03925	1.1
78.14935	0.5
79.05481	66.8
80.05814	0.7
81.07044	54.1
83.04953	0.9
83.08611	9.0
84.32462	0.5
85.06542	3.9
86.34579	0.6
91.05022	0.7
91.05467	30.0
93.07030	81.7
94.07346	0.9
95.04947	4.9
95.08594	41.0
96.08920	0.5
96.25105	0.6
97.06528	3.9
97.10172	3.5
99.08079	4.8
103.05502	0.5
105.04505	1.1
105.07012	19.1
107.08580	52.4
109.06506	2.7
109.10139	15.4
111.08083	3.9
111.11691	0.6
113.09622	1.7
117.07011	7.8
119.06065	0.6
119.08567	17.6
121.10128	46.8
122.10492	1.0
123.08057	1.7
123.11686	4.3
125.09628	1.6
131.08556	17.3
133.10110	14.8
135.08011	0.6
135.11673	38.9
136.11977	0.6
137.09592	1.8
137.13226	1.9
139.11197	0.8
142.34023	0.6
144.09399	0.6
145.10104	15.0
147.10553	1.1
147.11659	13.2
147.12720	1.0
149.09601	1.4
149.13239	31.0
151.11148	0.9
151.14751	1.6
153.12686	0.6
156.63121	0.6
157.10162	0.7
159.11679	11.8
161.13242	13.7
163.11137	0.7
163.14799	24.9
164.15213	0.7
165.12737	1.0
173.13261	10.9
175.14799	5.3
177.12593	0.6
177.16318	5.3
179.14275	2.0
187.14771	7.8
189.16327	0.9
189.32516	0.7
201.16417	2.4
203.17929	0.8
205.15813	1.3
215.17885	3.1
217.19588	0.9
219.17421	0.9
229.27556	0.7
233.18898	0.6
233.22636	1.7
243.21056	34.1
244.21327	1.0
261.22110	100.0
262.22455	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	261.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.1
55.05273	1.0
55.05502	13.8
57.03427	1.7
57.07068	4.3
60.07532	0.7
65.03925	1.2
66.82265	0.7
67.05492	39.9
69.06737	1.1
69.07065	12.2
71.04971	1.7
71.08601	1.8
77.03897	1.0
79.05480	57.4
81.03375	0.8
81.07042	45.4
83.04958	1.1
83.08603	7.6
85.06514	2.9
91.05463	28.3
91.63862	0.7
93.07028	74.7
94.07381	1.1
95.04948	5.4
95.08588	33.4
97.06511	2.5
97.10151	2.9
99.08085	2.8
105.07019	18.8
107.08578	49.3
109.06474	1.8
109.09407	1.0
109.10142	16.6
111.08062	3.0
113.09637	1.5
117.06996	7.0
119.08562	17.9
121.10123	41.4
123.08040	2.0
123.11652	4.2
125.09641	0.9
131.08553	13.2
133.10103	14.2
135.10614	1.8
135.11670	33.8
137.09579	1.7
137.13239	0.8
145.10104	15.3
147.11662	10.3
149.09547	1.0
149.13229	25.3
151.11159	1.4
153.12720	0.9
159.11676	11.8
161.13226	10.2
163.11133	0.9
163.14796	19.3
165.12706	0.9
173.13245	12.1
175.14798	3.6
177.16360	6.7
179.14278	2.1
179.58562	0.8
187.14815	7.7
189.16333	0.8
193.54335	0.8
201.16350	2.8
203.18028	0.7
205.15793	1.3
215.17926	15.0
219.17401	0.8
233.22699	1.7
243.21065	32.3
261.18741	3.8
261.22098	100.0
262.22485	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02386	0.7
53.03921	2.7
55.05502	12.6
57.03417	1.4
57.07076	3.7
65.03916	1.9
67.05495	45.0
69.06686	0.9
69.07061	13.2
69.37569	0.7
71.04974	2.3
71.08631	1.7
77.03860	0.8
79.05484	55.2
81.07046	46.6
81.07448	0.8
81.07538	1.6
83.04977	1.3
83.08608	9.2
85.06528	3.9
88.63863	0.7
91.05466	29.6
93.07031	74.3
95.04954	5.0
95.08595	38.0
95.09101	0.4
97.06499	3.1
97.10161	3.4
97.65684	0.7
99.08079	3.6
102.58671	0.8
105.04501	0.8
105.07017	19.5
107.08578	48.8
109.06484	2.4
109.10143	14.0
111.08061	2.6
113.09638	1.4
115.05447	0.8
117.06986	6.9
119.08562	17.1
121.10131	40.0
122.10462	0.8
123.08060	0.7
123.11684	4.6
124.05193	0.7
125.09605	1.1
130.07701	0.9
131.08554	13.9
133.10095	12.1
135.08075	0.7
135.11673	33.9
136.11977	0.9
137.09587	1.8
137.13264	1.7
145.10107	15.5
147.11668	11.8
149.13234	27.8
151.11206	0.8
151.14745	1.0
159.11676	12.4
161.13235	12.9
163.14796	20.1
164.15105	0.9
165.12747	1.5
172.12270	0.7
173.13228	11.4
175.14815	4.8
177.16380	5.3
179.14264	1.6
187.14801	7.0
189.16296	0.9
201.16377	3.3
205.15842	0.8
215.17886	6.1
219.17485	0.7
233.22626	1.0
243.21059	33.6
243.23543	1.7
261.22104	100.0
262.22467	3.1
280.87985	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.80593	0.6
53.03933	3.1
55.01862	0.7
55.05505	13.9
57.03425	1.0
57.07070	4.0
65.03938	2.1
65.28743	0.6
67.05496	45.3
69.07062	13.5
71.04980	2.3
71.08646	1.8
71.15616	1.6
77.03947	1.3
79.05483	63.0
80.05817	0.7
81.03409	1.0
81.07046	51.6
83.04958	1.3
83.08606	8.2
85.06536	3.6
85.10111	0.9
91.05469	30.4
93.03396	0.9
93.07033	79.9
94.07377	1.2
95.04971	4.5
95.08596	37.0
97.06510	4.7
97.10160	2.8
99.08066	4.0
103.05424	0.7
104.45700	0.6
105.04530	1.0
105.07020	22.1
107.08580	50.8
109.06513	1.9
109.10143	15.0
111.08091	3.8
111.11675	0.7
112.39802	0.8
113.09631	1.7
117.07005	7.0
119.08562	17.9
120.08912	0.7
121.10130	49.6
122.10395	0.7
123.08056	1.7
123.11709	4.6
125.09611	1.6
129.07022	0.7
131.08551	16.1
133.10120	14.1
135.08110	0.9
135.11679	39.0
136.12091	0.7
137.09613	1.5
137.13214	2.0
138.64082	0.6
139.11156	0.7
143.08464	0.6
145.10112	16.9
146.10568	0.6
147.11671	11.7
149.09612	1.3
149.13237	26.9
151.11147	1.9
159.11681	12.7
161.13234	12.3
163.14796	20.0
163.16168	1.0
164.15155	0.7
165.12759	1.1
171.11696	0.8
173.13245	13.7
175.14818	4.4
177.12733	0.8
177.16376	5.3
179.14359	1.3
187.14792	8.2
189.16350	1.1
201.16354	3.2
203.17909	0.7
205.15881	1.1
215.17947	17.5
217.19377	1.0
219.17372	1.4
233.22652	1.5
243.21060	34.7
244.21519	0.8
245.34253	0.6
246.29842	0.6
261.18732	3.2
261.22110	100.0
262.22482	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	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03936	4.3
55.01850	1.3
55.05502	15.4
57.03426	1.4
57.07066	5.3
59.04998	0.7
60.42675	0.7
65.03913	2.7
66.05516	0.7
67.05493	44.5
69.06685	1.0
69.07058	15.7
69.67141	5.3
71.04970	2.7
71.08602	1.6
74.75601	0.6
75.31479	0.7
79.05480	64.9
80.05805	0.7
81.03413	0.8
81.07043	53.2
83.04976	1.1
83.08608	7.6
85.06525	4.6
85.19581	0.7
91.05462	31.5
93.07030	82.8
95.04954	6.6
95.08590	44.5
95.09099	0.6
97.06510	4.0
97.10144	4.2
99.08079	4.3
100.25422	0.7
105.04478	0.8
105.07007	23.0
107.08575	51.1
109.06482	2.8
109.10133	15.6
110.48031	0.6
111.08066	4.1
111.11761	0.8
113.09623	2.2
115.05399	0.7
117.06989	7.9
119.08554	19.2
121.10126	50.4
123.08045	2.1
123.11687	5.7
125.09595	1.7
131.08554	16.1
131.09474	0.5
133.09171	1.3
133.10109	14.5
135.11673	37.8
137.09604	1.4
137.13243	1.3
139.11069	1.0
141.79240	0.7
145.10095	16.1
147.11659	12.6
149.13237	31.2
150.13489	1.1
151.11180	1.2
151.14764	1.4
153.12775	0.9
159.11671	11.7
161.13232	13.2
163.14799	21.5
164.15129	0.9
165.12721	1.2
173.11842	1.2
173.13252	12.1
175.14799	4.4
177.16310	6.0
185.15736	0.7
187.14784	9.3
189.16328	1.6
201.16374	5.4
203.17886	1.0
205.15941	1.1
208.42288	0.7
215.17941	2.8
219.17438	1.4
233.22508	1.5
243.21053	35.9
244.21370	1.1
261.22101	100.0
262.14291	0.9
262.22430	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02396	1.0
53.03927	3.5
55.01853	2.1
55.05502	11.1
57.07068	7.4
62.91594	0.9
63.40296	0.9
65.03912	1.9
67.05144	2.3
67.05493	38.9
69.07059	14.1
69.49388	0.9
70.29488	4.2
71.04963	1.9
71.08606	4.1
79.05481	50.9
81.03380	1.5
81.07043	47.1
83.04949	3.9
83.08618	8.8
85.06520	4.7
85.10154	1.3
91.04919	2.0
91.05463	31.6
92.39842	0.9
93.07029	61.4
95.04972	5.4
95.08591	33.2
97.06516	8.1
97.10143	1.6
98.20715	1.1
98.98476	1.4
99.08042	3.0
105.07012	23.6
107.08574	38.3
109.06496	5.4
109.10128	15.0
111.08093	4.4
113.09586	1.9
117.07005	8.8
119.08557	16.1
121.06462	0.9
121.10120	39.4
123.08035	2.8
123.11684	5.4
125.09605	1.4
130.07779	1.5
131.08546	31.8
133.10104	18.4
135.08025	1.7
135.11670	26.7
137.09581	2.9
137.13248	2.2
145.10097	22.6
147.11665	15.9
149.09584	3.8
149.13228	18.9
151.11180	2.1
151.14806	1.9
153.12685	1.5
159.11662	16.6
161.13239	15.8
163.11153	2.0
163.14798	15.2
165.12819	1.9
171.11639	1.4
173.13242	18.7
175.14796	6.1
177.12666	1.6
177.16333	7.6
179.14284	1.4
187.14760	10.3
189.16333	2.0
191.14360	1.1
201.16371	3.9
203.17851	2.3
205.15932	1.1
215.17871	6.5
217.19547	5.6
219.17265	1.2
233.22571	2.2
243.21042	64.4
244.21400	1.8
261.03860	1.1
261.16226	2.9
261.22101	100.0
262.14282	4.3
262.22498	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03941	4.3
55.01847	1.0
55.05504	16.7
57.03419	2.1
57.07067	7.6
65.03928	1.8
67.05496	50.8
69.07058	15.2
71.04969	1.9
71.08623	4.4
71.64552	0.8
77.03885	1.5
79.05484	84.5
81.07047	58.2
81.07539	1.9
83.04950	1.8
83.08614	9.4
85.06541	4.2
85.10147	2.8
91.05470	38.2
92.05805	1.1
93.07033	100.0
94.07392	1.2
95.04946	8.5
95.08594	43.6
95.20028	0.8
97.06508	5.0
97.10130	3.1
99.08095	5.0
105.06323	1.6
105.07018	26.1
106.23567	0.9
107.04942	1.2
107.08582	59.6
109.06487	3.2
109.10142	16.5
111.08067	3.7
113.09624	3.4
117.07008	11.4
119.07735	1.4
119.08569	22.5
121.06457	1.0
121.10132	46.3
122.10478	1.1
123.08031	2.1
123.11677	4.7
123.36890	0.8
129.07011	1.0
130.07751	0.9
131.08546	24.8
133.10109	15.8
135.08037	1.6
135.11679	33.4
136.12015	1.1
137.09622	1.6
137.13208	1.9
143.08559	1.0
145.08965	1.8
145.10104	26.2
147.11664	13.7
147.51622	0.9
149.09590	2.5
149.13239	27.4
151.14803	1.1
153.12714	1.9
159.11671	17.9
161.13248	11.3
163.14803	17.1
164.25542	0.9
165.12775	1.2
171.11649	1.6
172.89398	0.8
173.13237	13.6
175.14795	4.5
177.16400	7.7
179.14368	1.9
180.18352	1.0
187.14760	8.6
201.16345	3.0
205.15871	1.2
215.17929	41.1
216.18225	1.4
217.19484	1.2
219.17470	1.4
233.22639	3.1
243.21068	35.8
261.18542	13.7
261.22101	90.4
262.22449	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1799
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
57.07057	1.9
58.06574	0.5
64.14414	0.4
67.05495	0.7
69.03428	0.6
70.06222	0.4
70.06584	6.8
71.08616	1.4
71.31084	0.8
71.31441	0.4
79.05481	0.5
81.07017	0.5
84.08125	0.5
87.04457	31.5
88.07623	6.1
93.07024	0.7
94.77085	0.4
102.09148	0.5
105.07040	0.5
106.08664	1.0
114.09148	2.5
116.21111	0.4
117.06992	0.4
118.06528	12.6
118.08646	0.5
132.08089	4.7
132.09221	0.8
132.10181	8.2
133.06445	0.9
133.08833	1.8
134.09637	1.0
146.09616	4.7
150.11235	8.2
176.14325	73.9
177.05492	0.5
177.14716	1.1
186.18500	0.5
206.90443	0.5
218.11694	0.5
218.21158	2.6
219.10146	0.8
262.17999	100.0
262.23749	41.4
263.12787	1.0
263.18286	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25083	28.7
58.38833	24.1
66.15588	28.9
68.96868	36.5
69.03405	41.7
71.39995	50.5
71.40340	42.2
76.55925	26.8
78.80047	29.5
79.68245	27.0
85.02895	33.7
89.27063	26.1
90.86621	26.6
101.74052	25.7
109.84113	25.8
119.01896	78.9
131.01920	41.6
143.01889	54.8
159.11298	28.0
160.67159	25.2
161.02948	100.0
173.02957	49.8
191.04044	35.0
263.01602	76.3
263.06165	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28679	3.8
55.07586	3.9
69.68635	4.1
69.71987	22.7
69.72399	10.5
89.90902	3.8
89.92587	4.2
92.91266	4.3
101.00882	14.0
112.82904	4.4
119.01912	22.3
131.01884	18.8
143.01875	43.6
145.03409	5.5
149.02957	5.9
155.01868	7.3
161.02946	100.0
173.02925	32.2
184.04605	4.9
185.02950	8.3
191.03984	15.3
203.03983	12.5
218.20779	4.2
221.04964	6.2
239.06006	5.3
263.01559	13.5
263.06052	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	263.1276
Annotation	Grosshemin
Peak:m/z	Relative Intensity
53.03937	1.0
55.01845	1.7
55.05488	2.3
57.03415	1.0
61.25597	0.8
67.05482	3.0
67.29347	0.7
69.07050	5.2
69.17736	0.6
70.11004	0.7
71.04979	4.1
79.05471	5.6
81.07040	4.3
83.04948	1.7
85.02885	3.7
85.06520	1.1
91.05460	7.0
93.07021	3.0
95.04986	1.6
95.08578	2.1
97.06522	8.1
97.10098	0.7
103.05436	2.5
105.03370	1.7
105.06998	5.7
107.04961	1.5
107.08572	1.9
109.06529	0.9
109.10158	1.6
115.05429	3.1
117.07003	3.8
117.97581	0.7
118.04125	0.7
119.04913	1.5
119.08559	2.0
121.06506	3.4
121.10095	2.1
123.04356	0.9
123.08035	3.3
125.05965	1.2
128.06198	3.2
129.06969	6.7
131.04913	1.6
131.08516	5.8
133.06476	43.6
133.07465	1.8
133.10133	1.3
133.27359	0.8
134.06812	1.0
135.04391	0.9
135.08032	1.9
137.05956	1.6
139.07550	1.2
141.06966	3.3
142.07732	2.5
143.04904	1.1
143.08528	3.9
143.80589	0.8
144.05704	1.4
145.06464	4.7
145.10123	1.4
146.07201	0.7
147.04387	3.8
147.08049	6.1
147.11734	1.0
149.05960	2.1
152.04657	2.1
152.06171	0.9
153.05421	2.7
155.08536	2.3
156.09416	0.8
157.06445	2.0
157.10056	3.8
158.07262	5.1
159.04388	0.8
159.07997	6.0
160.05171	2.1
161.05952	5.7
161.09581	1.6
163.03851	1.1
163.07504	1.7
165.05426	2.6
167.07007	9.9
167.08554	2.3
169.06464	1.7
170.07211	0.9
171.07968	1.6
171.11647	1.7
172.08774	0.8
173.05927	3.9
173.08191	1.3
173.09599	18.4
174.06734	2.3
175.03857	1.5
175.07541	10.1
175.11147	1.9
175.14832	0.8
177.05420	12.9
178.06218	1.5
179.06989	11.4
183.07974	1.2
184.05148	0.9
184.08820	1.1
185.05930	1.1
185.09584	4.5
186.06659	0.9
187.07518	8.4
187.11150	2.9
188.08237	2.7
189.05429	2.4
189.09096	7.4
189.12691	1.5
190.06207	2.2
191.06990	3.5
191.10674	2.3
193.04959	1.8
193.08569	3.5
194.07195	1.0
195.06477	1.5
195.08043	1.6
197.05902	0.9
199.07445	0.7
199.11128	4.2
201.05396	1.1
201.07196	1.0
201.09077	21.8
202.09785	1.1
203.07022	3.9
203.10574	5.2
204.07756	1.5
205.08510	0.8
207.06496	1.4
207.09991	0.9
212.08354	1.3
213.09065	2.6
215.06938	0.8
215.10657	2.0
217.08543	2.0
217.12209	5.2
219.10129	30.4
220.10660	1.0
221.08096	3.2
221.11717	2.7
227.10561	5.4
230.09334	0.9
235.13181	1.4
245.11646	10.8
263.12747	100.0
264.12976	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1274
Annotation	Grosshemin
Peak:m/z	Relative Intensity
53.03928	1.0
55.01846	2.0
55.05505	3.6
57.07050	1.2
60.46576	0.6
61.38971	0.6
67.05499	4.6
69.03404	0.8
69.07034	3.0
70.05381	4.0
70.06573	0.9
71.04987	4.9
79.05482	7.7
81.03413	0.9
81.07042	6.7
83.04964	1.3
83.08573	0.9
85.02873	3.0
85.06518	1.0
91.05463	8.4
93.07024	5.0
95.04944	2.0
95.08582	4.5
97.06510	6.7
103.05427	2.4
105.03383	1.0
105.07024	6.7
107.04898	1.4
107.08590	3.8
109.06480	2.7
109.10130	2.3
115.05420	2.4
117.06978	3.5
119.04856	0.8
119.08569	3.4
121.06470	3.0
121.10104	2.5
123.04400	1.5
123.08031	2.4
124.74776	0.7
125.05945	1.4
128.06186	3.3
129.06996	5.1
130.07747	0.9
130.87021	0.6
131.04890	1.5
131.08577	4.9
133.06465	35.6
133.07509	1.7
133.10110	1.6
135.08054	1.8
135.11630	2.3
137.05962	1.8
139.07486	1.5
141.06958	3.3
142.07742	2.0
143.04890	1.6
143.08565	4.3
144.05635	2.0
145.06412	3.9
145.10083	2.1
147.04373	4.1
147.08031	6.7
147.11589	1.5
149.06009	3.4
152.04620	3.5
153.05426	2.0
153.06912	0.8
155.08479	1.3
156.09399	0.7
157.06448	1.3
157.10086	3.4
158.07283	3.8
159.08029	6.0
159.11639	1.0
160.05197	1.4
160.08594	0.7
161.05986	5.5
161.09598	1.6
161.13144	1.4
163.07513	2.2
165.05466	1.6
167.07031	8.3
167.08421	1.2
169.06468	1.6
170.07246	1.2
171.07991	1.2
171.11629	2.0
173.05986	4.7
173.09581	17.2
174.06694	1.7
175.03856	2.3
175.07487	9.2
175.11131	2.2
176.08293	0.7
177.05415	11.8
177.06802	1.2
179.07004	7.8
183.08075	1.0
184.05113	0.8
184.08830	1.2
185.09564	3.4
186.06729	0.8
187.07484	7.3
187.11230	1.2
188.08263	1.9
189.05424	1.5
189.09036	6.7
189.12683	3.0
190.06221	2.1
191.06963	2.2
191.10623	2.0
193.04863	2.1
193.08636	3.5
194.05656	0.8
195.06450	1.4
195.08090	0.9
199.07484	1.3
199.11121	5.9
201.05428	1.0
201.09079	17.5
201.12700	0.9
202.09695	0.9
203.06999	3.3
203.10547	3.8
205.04764	0.9
207.06445	1.4
213.09029	2.6
215.07045	1.0
215.10606	3.5
217.08574	2.0
217.12164	6.7
219.10120	23.2
221.08011	3.2
221.11736	1.6
227.10583	5.0
230.09422	1.0
231.10178	0.9
235.07300	0.8
235.13164	1.5
245.11679	9.3
245.15366	0.8
263.12732	100.0
263.20047	2.0
263.23709	2.4
264.13071	1.8
268.94641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1272
Annotation	Trixol
Peak:m/z	Relative Intensity
53.03927	1.5
55.01855	4.2
55.05489	3.0
56.96550	3.2
57.03423	1.7
57.11074	1.0
65.03952	1.6
67.05499	5.2
69.03416	13.0
69.07040	1.6
70.06580	1.4
71.25271	1.0
71.25613	2.0
73.02889	1.2
79.05473	7.7
81.03430	1.7
81.07040	8.7
81.20441	1.0
83.04953	3.3
85.02895	5.6
87.04467	2.0
90.50420	1.1
91.05457	12.9
93.07037	6.9
95.04948	7.5
95.08579	3.6
97.02863	7.6
97.06503	13.8
98.97569	2.3
101.02366	1.5
103.05467	2.1
105.07003	12.5
107.04910	1.9
107.08563	13.9
109.02846	4.7
109.06474	6.9
109.10123	2.2
111.04421	8.0
111.08078	1.4
113.02348	4.5
115.05444	2.8
117.06994	5.7
119.04947	2.6
119.08546	10.8
121.06469	6.0
121.10106	1.8
122.11468	1.0
123.04408	7.6
123.08044	5.2
123.11755	1.0
127.03891	1.5
128.06216	4.2
129.06970	6.9
131.04947	1.3
131.08548	6.5
133.06485	4.1
133.10123	4.5
135.08028	100.0
137.05977	4.2
137.09630	2.4
137.43338	1.0
139.07469	1.2
141.06949	3.7
142.03380	2.6
142.07751	5.4
143.08545	8.2
144.05702	1.4
144.09290	2.8
145.06483	4.2
145.10110	3.8
146.07182	1.0
147.08052	8.5
147.11641	2.4
148.53699	1.9
149.05934	2.2
149.09654	1.5
151.03889	2.5
151.07530	2.7
155.08524	3.3
156.09297	8.5
157.06456	1.7
157.10139	6.4
158.07280	2.6
159.08031	7.9
159.11682	10.9
160.08807	1.9
161.05951	5.4
161.09636	5.7
161.13100	1.2
162.04910	1.1
163.03896	1.9
163.07568	4.8
163.11215	1.5
165.06989	1.9
165.09105	1.2
166.07782	3.8
169.06442	2.8
169.10114	1.0
171.08060	2.6
171.11615	8.2
172.08850	6.0
173.05945	1.9
173.09579	11.5
173.13243	2.1
174.06740	1.5
174.10326	1.1
175.06181	1.1
175.07541	4.1
175.11139	6.4
181.10117	4.9
182.04662	1.3
183.07994	1.6
183.11658	1.5
184.08818	4.3
185.09601	4.5
187.07579	2.1
187.11139	26.4
188.08295	3.2
189.05501	2.1
189.09097	2.4
189.12766	3.4
191.05183	4.4
191.55482	1.1
197.09593	1.6
199.07509	2.8
199.11134	21.9
200.05693	1.9
201.09079	1.2
202.09853	1.7
203.07021	1.1
203.10626	35.7
205.08510	1.8
209.09599	2.2
212.08310	3.0
215.10641	19.3
217.08607	3.2
217.12202	18.3
219.13728	1.1
227.10629	17.2
233.11642	15.3
243.79868	1.1
245.11668	50.1
247.03882	1.6
254.06731	5.7
263.07217	16.5
263.09888	2.2
263.12714	16.4
263.16418	2.0
263.57404	3.0
265.04916	4.1
266.05283	1.2
279.06500	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.3
55.01856	4.0
55.05507	23.5
57.07058	5.1
61.38613	2.0
65.03926	4.1
67.05497	100.0
69.03422	4.7
69.07053	31.2
71.04982	96.6
71.70573	4.2
72.08147	3.6
79.05479	44.9
81.07043	77.2
83.04989	4.8
83.08607	15.6
85.02879	2.7
85.06538	34.5
91.05470	17.2
93.07034	52.3
95.04942	6.2
95.08595	98.8
97.06509	6.0
97.10157	5.5
99.04457	5.4
99.08079	7.0
105.06999	12.8
106.07368	3.4
107.08571	29.6
109.06487	4.7
109.10139	70.1
111.08073	5.7
113.09546	2.9
115.05453	2.5
117.07007	5.5
119.04900	2.8
119.08555	9.0
121.06515	4.4
121.10123	67.2
123.11694	15.7
125.09602	3.7
131.04903	5.7
131.08566	6.3
133.06500	3.1
133.10127	4.5
135.11673	47.5
143.08575	2.9
145.10007	3.6
147.04399	7.4
149.09541	3.4
149.13225	14.4
157.06487	4.0
157.10126	2.3
159.08109	3.6
159.11647	3.8
161.09595	4.9
161.13220	4.7
163.11253	2.9
163.14755	2.9
170.95329	2.3
173.05931	5.0
185.13390	3.5
191.17914	28.4
199.10986	2.4
199.14824	3.2
202.07788	2.5
209.19035	12.2
221.31665	2.4
227.14197	3.4
227.20026	65.1
228.20227	2.9
233.08058	8.3
245.08107	3.2
245.11603	2.8
263.06778	2.5
263.10696	3.0
263.13086	4.2
263.16504	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	263.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.5
53.70248	3.7
55.01869	7.3
55.05505	35.6
57.03399	3.4
57.07077	5.7
67.05499	81.5
69.03417	11.1
69.07055	43.7
70.06557	5.8
70.60228	15.0
71.04987	56.4
79.05486	33.4
81.03400	6.2
81.07046	78.3
83.04978	8.1
83.08584	21.6
85.02895	10.0
85.06541	22.7
86.98534	3.5
91.04990	3.7
91.05463	23.2
93.07037	47.2
95.04951	13.2
95.08594	100.0
97.02879	4.8
97.06524	14.8
97.10165	10.3
99.08080	7.0
105.07008	22.7
107.04934	10.0
107.08588	32.7
109.06489	7.3
109.10138	61.3
111.08064	7.7
115.05405	5.4
116.89938	3.6
117.03152	3.9
117.07037	8.8
117.77315	4.1
119.08577	8.8
121.06487	8.0
121.10126	41.4
123.04382	11.5
123.11702	11.6
128.06238	8.6
129.06982	13.2
131.04890	6.2
131.08565	16.8
133.06459	8.6
133.10114	5.7
135.08044	16.4
135.11687	25.9
137.05984	5.0
142.07732	5.0
143.08549	12.2
144.05717	5.7
145.06441	7.1
145.10153	8.5
147.04431	9.8
147.08014	9.3
147.11700	4.3
149.05968	9.2
149.09607	5.6
149.13196	8.2
153.06927	5.0
157.06476	5.5
157.10074	7.7
159.08095	12.7
159.11725	7.0
161.06018	9.7
161.09596	11.3
172.05182	9.8
175.07541	16.7
185.06052	6.8
189.05382	6.7
189.09361	4.5
191.10645	5.1
191.17975	13.3
199.07535	4.1
199.11404	3.9
201.05414	8.3
203.07048	7.7
203.10648	7.3
203.14247	4.6
209.18987	15.1
217.08594	7.8
217.12157	5.1
227.10767	7.3
227.14224	5.2
227.20024	36.1
233.08154	23.9
245.08025	7.4
245.11659	9.6
245.15492	6.0
245.21104	7.9
263.09030	21.8
263.12811	17.9
263.16507	9.3
263.20047	4.8
278.10449	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	263.2366
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.79626	0.9
55.01860	1.2
55.05280	1.4
55.05504	15.5
57.03414	2.0
57.07067	11.6
65.03917	2.5
65.27819	1.0
67.05494	86.1
69.06743	1.4
69.07056	16.6
69.45965	6.9
69.46392	3.7
71.04973	1.5
71.08249	1.0
71.08605	6.4
79.05482	23.2
81.07043	100.0
83.04939	1.3
83.08602	16.0
85.06526	5.0
85.10159	3.8
91.04932	1.2
91.05469	16.4
93.07031	26.1
94.07336	1.1
95.04948	1.9
95.08592	86.6
97.06522	7.0
97.10151	7.1
99.08080	5.5
105.07009	13.2
107.08575	16.1
109.06516	1.7
109.10143	44.5
111.08062	5.5
111.11714	1.0
113.09613	2.4
119.08570	12.7
121.10133	17.0
123.08057	2.7
123.11692	16.3
125.09540	1.2
127.11195	1.7
131.08510	1.3
133.10117	14.6
134.10310	1.0
134.19304	0.9
135.11664	9.9
137.09561	1.9
137.13251	6.8
141.12726	1.4
147.11664	9.9
149.13205	7.8
151.11157	1.4
151.14801	8.3
153.12610	1.1
155.14211	2.2
156.23653	0.9
161.13239	8.6
163.14771	7.1
165.16351	9.1
175.14828	6.8
177.16368	1.3
179.17880	3.3
189.16376	4.1
193.10239	1.3
193.15987	1.2
203.17967	1.6
221.13147	1.1
222.44759	1.1
240.39462	1.0
245.22618	30.1
248.84590	0.9
263.17831	2.2
263.23663	62.2
264.23978	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2366
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03937	2.1
55.05502	16.2
57.03416	2.1
57.07075	10.6
65.03915	3.3
65.99555	1.1
67.05499	98.1
69.07066	17.8
70.60057	1.0
71.04980	2.2
71.08627	6.9
71.71214	1.8
79.05486	28.1
81.07047	100.0
83.04960	1.9
83.08614	15.9
85.06532	4.3
85.10150	2.2
87.84396	1.2
91.05467	20.3
93.07034	30.1
95.04955	3.5
95.08595	96.2
97.06527	8.5
97.10168	5.7
99.08071	5.5
105.07025	14.4
107.08592	15.6
109.06493	2.7
109.09399	2.6
109.10143	47.7
111.08060	5.0
111.11740	1.4
113.09634	2.9
119.08577	13.7
121.10146	16.8
123.08039	2.6
123.11696	20.6
127.11178	1.9
131.08580	1.6
133.10117	15.8
135.11700	10.3
137.09631	2.3
137.13245	7.3
141.12744	2.4
147.11662	12.5
149.13223	9.3
151.14818	8.1
161.13235	11.7
163.14799	9.6
165.16393	8.8
175.14865	7.3
177.16374	2.1
179.17911	4.0
188.07500	1.2
189.16356	3.7
207.17348	1.2
219.21147	1.7
224.38264	1.2
245.22614	32.5
246.23103	1.7
247.11484	2.6
248.12148	1.6
263.08273	2.6
263.14615	18.8
263.23682	66.5
264.23929	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2366
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03919	1.8
53.29165	1.2
53.69982	1.0
55.01860	0.9
55.05499	15.6
57.03413	2.0
57.07064	13.6
57.35008	1.1
59.81772	1.0
64.58480	1.3
65.03914	1.6
67.05496	82.8
69.07056	17.1
69.53736	3.6
69.54151	5.6
71.04968	2.4
71.08617	5.5
79.05482	18.6
81.07043	100.0
83.04955	1.5
83.08608	12.3
85.06516	3.9
85.10154	3.7
91.05468	16.8
93.07035	24.2
95.04952	1.9
95.08592	84.8
97.06506	9.2
97.10166	7.7
99.08083	4.5
105.07021	11.5
107.08580	14.1
109.06499	1.5
109.10143	41.4
111.08045	3.6
111.11716	1.6
113.09592	3.3
117.13609	1.0
119.08546	11.8
121.10130	15.2
123.08064	1.8
123.10873	1.6
123.11695	20.1
127.11168	2.1
127.28656	1.0
133.10109	14.1
135.11693	8.8
137.09586	3.0
137.13219	7.3
141.12738	2.1
147.11655	10.9
149.13237	6.9
151.11121	1.6
151.14822	7.2
155.14287	2.9
161.13220	9.9
163.14777	7.4
165.16394	9.5
167.14215	1.2
175.14807	6.1
177.16350	1.6
179.17931	3.8
181.15829	2.1
189.16322	3.4
192.18501	1.0
203.17909	1.8
217.19370	1.2
245.22614	30.1
263.08255	1.9
263.23666	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67152	3.1
53.12032	3.0
55.01855	4.8
55.05483	5.0
55.90241	3.6
57.07067	3.4
67.05500	8.7
69.03412	5.1
69.07038	3.6
71.36770	4.9
71.37101	4.2
79.05473	9.3
81.03384	16.7
81.07034	13.0
83.04974	5.1
85.06508	5.4
91.05471	17.2
93.07025	11.7
95.04958	6.7
95.08621	5.3
97.02876	5.2
97.06529	3.9
103.05444	5.8
105.06377	3.3
105.06976	15.3
107.04918	5.0
107.08594	7.0
109.02867	3.4
109.06506	7.2
109.10132	4.7
110.94778	3.7
115.05420	29.3
117.07001	42.3
119.08553	8.8
121.02859	21.5
121.10117	5.6
128.06204	4.7
129.06976	5.7
131.08519	11.6
133.06480	4.8
133.10143	7.8
135.08012	6.0
143.04773	3.5
143.08521	4.9
144.05717	3.6
145.06461	83.4
145.10104	9.6
149.09555	4.1
155.06024	11.3
156.05714	16.1
157.06462	5.8
159.08060	6.6
161.05952	7.6
161.13274	3.8
163.11206	7.7
173.05956	100.0
173.07452	5.5
173.13351	4.5
175.07527	6.4
183.11670	3.9
187.07536	11.0
187.11232	4.1
190.06209	37.6
191.06938	4.6
202.06267	4.1
203.06999	14.0
203.16109	3.3
205.08568	64.3
205.10477	4.4
217.08578	52.6
219.10245	3.7
229.12334	3.4
235.09744	4.1
247.09750	5.1
247.13234	5.1
247.16808	5.3
265.08398	6.4
265.19681	5.5
288.92242	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	265.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67152	3.1
53.12032	3.0
55.01855	4.8
55.05483	5.0
55.90241	3.6
57.07067	3.4
67.05500	8.7
69.03412	5.1
69.07038	3.6
71.36770	4.9
71.37101	4.2
79.05473	9.3
81.03384	16.7
81.07034	13.0
83.04974	5.1
85.06508	5.4
91.05471	17.2
93.07025	11.7
95.04958	6.7
95.08621	5.3
97.02876	5.2
97.06529	3.9
103.05444	5.8
105.06377	3.3
105.06976	15.3
107.04918	5.0
107.08594	7.0
109.02867	3.4
109.06506	7.2
109.10132	4.7
110.94778	3.7
115.05420	29.3
117.07001	42.3
119.08553	8.8
121.02859	21.5
121.10117	5.6
128.06204	4.7
129.06976	5.7
131.08519	11.6
133.06480	4.8
133.10143	7.8
135.08012	6.0
143.04773	3.5
143.08521	4.9
144.05717	3.6
145.06461	83.4
145.10104	9.6
149.09555	4.1
155.06024	11.3
156.05714	16.1
157.06462	5.8
159.08060	6.6
161.05952	7.6
161.13274	3.8
163.11206	7.7
173.05956	100.0
173.07452	5.5
173.13351	4.5
175.07527	6.4
183.11670	3.9
187.07536	11.0
187.11232	4.1
190.06209	37.6
191.06938	4.6
202.06267	4.1
203.06999	14.0
203.16109	3.3
205.08568	64.3
205.10477	4.4
217.08578	52.6
219.10245	3.7
229.12334	3.4
235.09744	4.1
247.09750	5.1
247.13234	5.1
247.16808	5.3
265.08398	6.4
265.19681	5.5
288.92242	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	265.1431
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
53.03932	7.4
55.01856	7.0
55.05505	19.3
57.03428	4.0
57.07057	3.2
65.03933	12.5
66.27237	3.4
67.05499	32.7
69.03419	38.3
69.07053	6.7
70.60011	9.7
70.60375	4.0
71.04974	10.1
75.64765	2.5
79.05479	21.2
81.03406	12.3
81.07049	20.3
81.57569	2.5
83.04977	8.9
83.08601	3.5
91.05466	51.6
93.03397	7.0
93.07035	47.9
95.04948	42.1
95.08585	26.6
97.02876	5.8
97.06511	6.0
98.21418	3.3
99.04473	6.2
101.05939	2.9
103.01547	2.7
103.05444	4.8
105.03378	6.7
105.07013	70.4
107.04921	6.3
107.08594	24.7
109.02872	11.9
109.06502	32.2
109.10143	5.8
111.04431	28.0
111.08072	8.9
113.05994	16.1
115.05430	5.6
116.06243	4.1
117.07013	20.5
119.08566	100.0
120.08086	6.0
120.70638	2.9
121.02843	24.3
121.06498	44.9
121.10105	16.4
123.04459	4.1
123.08051	27.1
125.05956	3.4
128.06216	9.0
129.06937	17.4
130.07768	8.0
131.04878	4.4
131.08553	41.0
133.06482	14.3
133.10117	19.0
135.08031	74.8
137.09586	12.4
139.03925	9.1
139.07530	7.9
141.06958	8.6
142.07758	11.9
143.08556	11.7
144.09315	9.7
145.06433	15.7
145.10081	28.2
146.07254	4.0
147.04352	3.5
147.08029	39.1
147.11652	18.2
149.06006	4.7
149.09601	14.3
151.07529	4.9
153.06921	3.4
153.09052	6.9
154.07635	3.3
155.08513	10.9
156.09355	8.3
157.06367	3.1
157.10109	24.0
158.07248	25.7
158.10715	3.0
159.08035	35.7
159.11671	38.1
160.08743	7.6
161.05968	6.7
161.09595	29.7
161.13260	4.7
162.09010	4.3
163.07500	7.6
165.09088	31.7
165.11073	6.8
168.09283	8.9
169.10132	3.5
171.08073	8.7
171.11635	7.8
172.08772	23.3
173.09592	14.8
173.13268	18.1
175.07538	65.7
175.11086	31.7
183.11652	10.6
185.09590	8.1
186.10428	8.1
187.07553	5.4
187.11139	33.4
189.09122	13.2
189.12805	11.4
191.07053	3.7
193.08597	20.7
193.10057	5.1
196.08798	6.0
199.11183	15.2
201.12709	29.4
203.10655	44.2
205.12210	8.4
207.10185	3.5
211.11162	19.0
217.12186	26.2
219.10075	2.6
219.13831	9.5
229.12210	24.7
235.13298	8.1
247.13164	39.0
265.07132	4.8
265.13922	35.5
265.16678	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	266.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.9
58.06586	0.8
60.08154	6.8
61.02903	1.0
63.02778	0.5
67.04913	0.5
69.03422	2.6
69.83623	3.6
72.40815	0.6
73.02900	2.0
81.03412	0.5
85.02899	2.9
87.04457	3.8
91.03934	0.9
97.02864	1.6
98.97559	0.6
99.04420	1.8
101.02354	0.6
104.10728	100.0
105.11036	0.7
120.01997	0.5
127.03885	1.4
133.79329	0.5
177.04100	0.6
266.15955	93.8
267.16345	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.9
55.01855	6.8
55.05505	31.0
57.03430	32.2
65.03922	5.6
67.05495	76.2
69.03411	5.1
69.07061	20.2
69.58072	1.6
71.04981	7.9
79.05482	73.1
81.03403	40.0
81.07044	70.2
81.07533	2.4
83.04971	50.5
83.08605	12.5
85.06522	3.1
91.05470	100.0
93.07032	51.0
94.81302	1.6
95.04952	26.9
95.08588	30.8
97.02861	3.6
97.06507	7.8
97.10146	3.7
97.72649	1.6
98.20721	3.8
99.08099	5.0
103.05446	2.0
105.07016	53.9
107.04944	17.6
107.08581	11.1
109.06509	8.2
109.10143	7.7
111.04433	3.1
111.08079	4.8
113.05943	1.7
115.05376	2.2
117.07001	8.3
119.08561	41.3
121.10143	10.4
123.08065	3.5
123.11671	3.3
124.29325	1.7
127.07527	4.2
129.06982	22.0
131.08545	22.7
131.93126	1.7
133.06479	4.1
133.10117	46.9
135.11699	2.9
136.06206	3.0
137.09586	3.2
137.13138	1.7
142.07756	5.8
143.08632	2.0
145.10107	6.6
147.08046	4.8
147.11671	27.1
147.12758	3.2
149.09647	5.1
151.11191	2.0
155.08498	2.9
156.36476	1.8
157.10100	31.0
159.11700	3.5
163.11176	5.3
165.06992	2.9
165.12726	4.3
169.10039	1.8
174.63336	1.9
175.11118	17.2
178.07747	2.5
193.12213	13.3
197.13271	7.3
211.14761	3.2
267.06424	5.2
267.09680	2.0
267.13663	1.5
267.15906	32.3
267.20914	14.3
268.16092	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.0
53.91844	1.6
55.01853	7.9
55.05502	27.1
57.03429	34.1
65.03931	5.1
67.05135	3.3
67.05496	68.2
69.03426	4.9
69.07061	26.0
71.04990	7.3
71.44106	2.7
72.05381	1.5
79.05486	67.1
81.03407	45.1
81.07047	78.7
83.04974	42.9
83.08606	11.6
85.02880	1.7
85.06541	3.7
89.18183	1.7
91.05470	100.0
93.07031	46.8
95.04958	26.7
95.08591	32.0
97.02868	2.2
97.06506	10.4
97.10149	3.9
99.08073	3.4
103.05447	3.1
105.07019	56.3
107.04934	21.7
107.08581	17.6
109.06500	11.8
109.10138	8.8
111.04438	4.9
111.08077	5.9
115.05451	4.6
117.07029	5.2
119.08564	37.8
121.06520	3.5
121.10134	13.1
123.04459	2.3
123.08060	5.2
123.11745	3.1
127.07570	2.1
128.06218	4.3
129.07001	22.5
131.08556	21.5
133.06467	2.7
133.10107	41.6
135.11676	4.5
136.06187	9.9
137.05936	2.7
137.06915	1.7
137.13234	2.1
141.06964	2.5
142.07765	5.1
143.08542	4.5
145.10132	9.6
147.08073	4.1
147.11665	28.7
149.09607	7.1
151.11214	1.6
154.12328	2.3
155.07103	1.4
155.08543	5.7
156.09311	2.5
157.10114	30.8
159.11650	4.7
161.13283	2.6
163.03853	2.3
163.11168	6.1
165.07021	5.7
165.12738	5.6
167.08598	1.9
168.13878	3.1
169.10139	6.2
171.11734	5.3
175.11176	22.3
181.06403	2.0
181.09969	2.5
182.11810	2.3
183.11615	3.6
185.13219	4.1
193.08702	1.8
193.12169	11.6
195.11685	3.2
196.13361	3.5
197.13275	7.9
203.06865	2.3
207.13670	1.7
209.06117	1.7
209.13120	2.6
211.14784	5.9
221.05974	6.4
223.04279	2.0
225.16391	4.6
238.09964	3.1
239.07011	3.2
249.05426	4.6
249.14767	2.0
249.18588	2.2
250.06096	1.8
261.75043	1.9
267.06525	7.6
267.10120	7.9
267.13647	4.7
267.15952	34.0
267.21048	21.3
271.68088	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1587
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03931	3.7
55.01860	1.5
55.05507	5.6
57.03158	1.1
57.03430	19.2
59.06479	0.6
62.39920	0.7
65.03942	0.8
67.05497	12.6
69.03420	3.1
69.07060	2.9
69.76973	4.7
71.04982	0.9
79.05482	10.8
81.03405	100.0
81.07040	10.2
82.03777	0.9
83.04973	5.0
83.08612	13.9
91.05467	16.2
93.07018	4.9
95.04955	21.9
95.08588	3.0
97.02888	1.6
97.10150	1.6
105.07010	13.2
107.04949	3.5
107.08585	3.7
109.06514	3.8
109.10146	1.6
111.04424	1.9
111.08074	6.4
115.05405	1.1
117.06998	1.4
119.08544	11.1
121.06518	2.2
121.10124	4.9
123.08030	1.4
129.06985	6.5
131.08525	7.3
133.06487	2.3
133.10109	3.1
137.09659	1.4
140.72122	0.8
142.07747	2.8
147.08031	1.6
147.11638	5.6
149.09605	2.8
157.10132	9.2
163.11172	0.9
165.12735	1.8
175.11156	7.9
190.17894	0.9
193.12219	18.1
211.13216	2.2
249.14764	1.1
267.15875	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	267.1587
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
53.03944	4.2
55.01865	2.2
55.05510	7.0
57.03159	1.2
57.03433	21.4
65.03932	1.0
67.05499	12.7
69.03434	2.9
69.07073	3.4
70.91817	1.6
71.01379	0.7
71.04982	1.8
79.05484	12.9
81.03408	100.0
81.07046	12.5
82.01456	0.6
83.04964	5.3
83.08607	14.0
85.02901	0.7
85.06561	1.0
91.04921	1.2
91.05470	17.7
93.07041	8.4
95.04957	22.9
95.08603	4.9
97.02881	2.3
97.06487	1.4
97.10160	2.1
99.08083	0.6
102.06364	0.7
105.07022	13.8
107.04951	4.1
107.08566	2.9
109.06529	2.8
109.10137	1.6
110.51221	0.5
111.04425	1.4
111.08068	6.6
115.05416	0.9
115.58163	0.5
117.07021	1.3
119.08576	12.6
121.06494	2.0
121.10149	3.6
123.08056	1.1
129.06999	7.0
131.08569	6.3
133.06471	1.8
133.10097	4.6
135.08023	0.6
137.09602	1.4
142.07774	2.5
143.32610	0.7
145.10057	0.9
147.07993	2.5
147.11664	7.9
149.09631	4.5
157.10110	9.5
163.11116	0.8
165.12759	2.3
175.11194	8.5
193.12221	19.0
211.13242	2.5
223.13072	0.6
231.13905	0.7
233.23824	0.6
239.53841	0.6
249.14815	1.7
267.15884	39.2
268.15933	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1587
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03921	4.0
55.01844	2.4
55.05495	5.0
55.15158	0.8
57.03428	21.9
64.48008	0.9
65.03917	1.2
65.27050	0.8
67.05492	13.1
69.03401	2.2
69.07048	3.0
69.18475	0.8
69.76814	4.4
69.77238	2.6
71.04975	2.0
79.05478	11.2
79.58031	0.9
81.03404	100.0
81.07039	10.4
83.04971	4.8
83.08604	16.8
91.05463	17.0
93.07024	6.9
95.04951	21.9
95.08588	5.8
97.02863	2.5
97.06512	1.9
97.10154	2.3
105.07011	14.1
107.04945	4.7
107.08535	2.6
109.06486	3.1
109.10130	2.9
111.04414	1.2
111.08073	5.7
115.05389	1.5
117.06993	1.7
119.08563	9.8
121.06519	2.0
121.10122	4.9
123.11677	1.0
128.06102	0.9
129.06961	7.5
131.08577	6.8
133.06458	2.7
133.10110	3.4
136.06139	0.9
137.09598	1.4
142.07785	1.3
147.08006	2.3
147.11678	7.6
149.09598	3.6
157.10107	9.3
161.03169	1.0
165.12764	1.7
175.11139	9.8
193.12213	20.0
193.88583	0.8
211.13251	2.3
225.11124	0.8
249.14870	1.4
267.15863	40.9
268.16290	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1587
Annotation	Connatusin B
Peak:m/z	Relative Intensity
51.36741	1.6
51.36980	1.7
52.01329	1.9
53.03926	5.8
55.01862	6.0
55.05510	14.3
56.80887	1.7
57.03157	2.0
57.03428	22.9
57.07058	2.8
59.04980	5.8
61.02919	34.1
65.03912	4.5
67.05497	34.6
69.03423	53.0
69.07066	12.8
69.57310	17.4
71.04992	4.6
73.02887	5.3
75.04449	2.1
75.90842	1.7
76.24775	1.7
79.05486	31.3
81.03409	34.2
81.07045	45.2
83.04971	13.2
83.08600	5.4
85.02901	27.1
85.06527	3.1
87.04457	21.3
91.03943	18.3
91.05471	40.4
93.07034	74.7
95.04954	22.3
95.08585	27.7
97.02884	44.0
97.06499	7.5
99.04445	7.4
101.53809	2.4
103.05463	3.9
105.06330	3.8
105.07021	74.2
105.07722	4.3
107.04928	6.2
107.08578	60.7
109.02866	2.4
109.06522	14.8
109.10149	40.9
111.04409	13.9
111.08089	3.6
115.03910	19.3
115.05407	5.1
117.06992	16.8
119.04908	2.4
119.08568	43.1
119.13102	1.7
121.06473	13.4
121.09254	3.7
121.10126	76.9
123.04432	3.3
123.08044	8.1
123.11716	8.9
125.05954	3.9
128.06203	6.6
129.06999	13.2
130.07715	1.8
131.08553	22.9
133.04970	10.5
133.06468	8.5
133.10115	59.3
135.04436	2.1
135.08099	9.2
135.11678	51.1
136.06131	2.7
137.05963	4.6
137.09598	13.4
141.06909	2.5
142.07768	6.6
143.08560	13.6
144.09357	3.0
145.04936	3.2
145.06482	4.9
145.10124	22.7
147.08052	10.9
147.11667	44.4
149.09605	6.2
149.13239	20.3
151.07501	3.2
151.11124	6.2
155.08527	4.6
156.09282	2.2
157.10143	18.9
159.07997	6.8
159.11694	26.8
161.09639	9.0
161.13239	4.8
163.07515	2.1
163.11160	6.3
165.09125	2.6
165.12627	3.6
169.10115	2.4
171.08081	3.7
171.11708	3.8
173.08134	3.2
173.09558	3.7
173.13231	7.5
175.07510	2.2
175.11163	31.2
175.14723	2.6
177.12726	58.9
180.09355	2.0
183.11693	5.7
185.13237	9.9
189.12709	2.8
190.50056	1.8
191.10617	3.1
191.14275	2.2
193.12247	6.9
195.11612	3.7
198.10388	2.0
201.12741	13.5
202.13455	2.0
203.14304	7.3
207.13800	2.7
211.09610	2.4
213.12682	10.8
219.13817	19.1
231.13765	26.9
237.14952	2.9
249.14833	22.3
267.06555	2.8
267.15887	100.0
268.16226	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1586
Annotation	Curvularol
Peak:m/z	Relative Intensity
50.07376	2.5
53.03930	7.3
55.01848	6.5
55.05501	29.8
57.03163	3.6
57.03426	39.3
61.55621	3.2
65.03930	4.7
67.05492	61.9
69.07038	17.6
69.34087	3.3
70.61815	2.7
71.04982	7.2
71.72278	6.0
79.05481	65.8
81.03401	100.0
81.07035	47.9
83.04965	38.6
83.08604	19.0
91.04921	6.1
91.05463	86.3
93.07027	41.1
95.04945	36.8
95.08589	20.8
97.06495	9.1
97.10178	3.8
98.98400	3.8
105.07004	50.4
107.04943	40.4
107.08543	13.3
109.06487	8.4
109.10159	4.3
111.08057	7.8
112.23624	3.0
117.06976	5.2
119.08569	32.7
121.10120	12.4
123.11661	3.0
129.06985	19.0
131.08571	23.2
133.06421	3.4
133.10088	36.1
136.06155	9.1
142.07767	6.0
145.10080	4.0
147.07976	5.4
147.11684	28.9
149.09612	11.4
157.10106	25.3
175.11179	23.9
182.49210	3.0
193.12225	28.2
204.39732	2.7
259.68893	3.2
267.15857	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1038
Annotation	Adenosine
Peak:m/z	Relative Intensity
53.16317	0.1
55.01880	0.2
57.03454	0.4
61.02953	0.1
65.52984	0.1
69.03430	0.2
70.02817	0.1
70.03097	0.3
70.03491	0.4
73.02944	0.2
85.02902	0.3
94.04055	0.5
97.02884	0.2
119.03532	1.0
133.04906	0.1
136.06160	100.0
137.04576	0.5
137.06577	0.8
268.10236	5.3
268.15005	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	268.1035
Annotation	Adenosine
Peak:m/z	Relative Intensity
50.79798	0.2
57.03417	0.4
64.57700	0.1
69.03413	0.2
69.10616	0.2
69.64989	1.2
69.65398	0.2
85.02895	0.3
88.84006	0.2
94.04032	0.4
115.03900	0.2
116.77618	0.2
119.03527	0.8
136.06165	100.0
137.04578	0.6
137.06563	0.9
152.83913	0.2
208.43188	0.2
268.10394	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03921	3.0
55.01861	6.1
55.05500	25.6
57.03424	19.9
57.07053	2.8
61.02899	1.4
65.03925	3.4
67.05495	85.6
69.03402	3.1
69.07057	25.3
70.07346	4.2
71.04980	18.9
71.08622	1.4
75.57907	0.9
79.05479	45.1
80.53431	1.0
81.03391	2.7
81.07043	100.0
83.04969	10.4
83.08612	17.2
85.02878	1.9
85.06529	11.0
89.67800	1.1
91.04922	1.9
91.05467	28.7
93.07029	62.6
95.04947	9.9
95.08589	35.7
97.06512	17.9
97.10143	3.0
98.06087	1.0
98.20795	1.6
99.04442	3.4
99.08092	5.0
101.05992	2.2
105.07009	16.5
107.04939	3.6
107.08577	32.4
109.06505	5.0
109.10142	11.5
111.08081	9.1
113.06016	2.8
113.09668	2.0
117.07005	12.4
117.59996	1.0
119.08548	8.7
121.03976	1.4
121.06478	2.7
121.10123	20.5
123.08044	4.6
123.11677	6.9
125.06001	1.0
125.09630	2.9
127.07523	3.7
129.07014	1.5
131.08548	14.3
133.10110	16.8
133.81802	1.1
135.08043	3.0
135.11662	15.3
136.06216	1.4
137.09581	2.6
139.11182	2.2
145.10104	4.4
147.08022	1.2
147.11670	4.0
149.09605	1.5
149.13234	31.8
151.11166	4.0
155.08345	1.2
157.10072	1.4
159.11671	23.8
161.13165	2.7
163.11234	1.1
165.12671	1.8
173.13203	3.1
175.14720	1.4
177.12697	12.2
179.14276	1.1
182.08356	8.2
185.07115	2.3
195.13739	9.5
208.08708	1.2
213.14818	1.2
215.17955	4.8
224.96574	1.1
225.10184	5.4
233.11775	1.6
233.15378	2.4
233.18983	2.7
251.12816	1.7
251.16350	2.2
251.20004	3.3
269.09265	20.1
269.17456	42.8
269.21011	8.3
270.09268	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	Trichotriol
Peak:m/z	Relative Intensity
51.51438	1.5
51.77863	1.6
53.03931	5.6
55.01860	5.2
55.05502	26.2
57.03432	19.7
57.07055	3.6
65.03923	2.5
65.37109	1.5
67.05493	82.3
69.03407	4.8
69.07053	31.6
69.70039	5.6
69.70453	8.0
71.04986	18.5
77.03979	1.5
79.05478	41.4
81.03412	4.7
81.07042	100.0
82.07415	3.1
83.04967	10.0
83.08614	21.3
85.02904	1.9
85.06530	14.6
87.83068	1.6
91.05463	31.2
93.07027	59.5
95.04940	9.4
95.08594	50.8
97.06514	19.6
97.10153	4.7
98.92489	1.8
98.97585	5.7
99.08080	4.3
101.05995	2.7
105.07034	15.6
107.04926	2.7
107.08569	31.4
107.09235	2.8
109.02847	3.0
109.06500	6.2
109.10122	13.1
111.08044	11.9
113.05984	2.6
115.05404	2.5
116.98588	2.7
117.07015	13.1
119.08556	10.4
121.06477	2.0
121.10126	18.2
123.08031	3.5
123.11700	9.4
125.09606	5.8
127.07537	3.1
129.06969	1.9
131.08559	15.5
133.10101	20.2
135.08015	3.7
135.11655	16.2
137.09639	2.6
139.11160	2.2
141.09018	1.6
145.10068	6.3
147.11676	4.8
149.09589	3.8
149.13219	27.7
151.11131	2.5
157.10086	2.1
159.11655	20.9
161.13164	2.8
173.09668	1.6
173.13258	4.5
177.00674	2.9
177.12711	11.3
179.14479	1.8
187.07928	3.6
187.58191	4.0
195.13751	9.5
215.14285	2.8
215.17970	4.8
223.07581	2.0
233.15370	2.7
251.12781	2.2
251.16728	1.9
251.20006	5.2
269.04309	4.9
269.07874	3.6
269.14737	3.0
269.17441	44.7
269.20911	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	269.1744
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
53.03931	4.8
55.01867	3.2
55.05506	23.0
57.03160	2.8
57.03426	35.7
57.07047	3.3
65.03922	2.8
67.05495	77.5
69.07059	31.3
70.14858	10.4
71.04978	7.0
79.05481	49.0
81.03405	4.2
81.07042	100.0
83.04971	11.4
83.08605	21.7
85.06525	5.4
91.05459	26.4
92.09685	1.8
93.07030	71.1
95.04952	9.9
95.08595	29.7
97.06507	16.1
97.10139	2.3
98.21375	2.8
99.08101	3.7
99.83610	1.9
105.07012	10.5
107.08574	39.4
107.09253	3.6
109.10128	3.2
111.08050	11.2
117.06992	9.4
119.08537	2.4
121.10130	20.9
123.11679	3.1
131.08557	11.9
133.10095	12.6
135.11636	13.7
145.07782	2.2
147.11688	3.0
149.13231	48.1
159.11655	21.5
167.14262	2.9
177.12752	10.0
195.13785	14.3
211.98384	1.8
252.51567	2.0
269.17410	48.1
281.88672	2.1
283.80511	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1742
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03923	4.3
55.01850	3.3
55.05500	25.1
57.03428	31.5
57.07054	4.8
59.86560	1.4
63.16283	1.5
63.83797	1.6
63.86985	1.4
65.03923	2.3
67.05491	81.1
69.07056	29.1
70.46040	6.3
71.04952	6.2
71.08600	2.1
74.32982	1.4
77.26461	1.5
79.05479	47.9
81.03393	3.6
81.07041	100.0
83.04945	11.4
83.08604	18.6
85.06524	5.8
91.05453	28.2
93.07027	75.0
95.04964	7.2
95.08589	30.1
97.06509	16.2
97.10152	2.7
99.08082	4.0
105.07004	12.1
107.08573	34.6
109.06501	3.5
109.10133	5.1
111.08080	10.4
113.09559	1.4
114.01805	1.6
117.06994	12.5
118.15234	1.5
119.08551	2.2
120.50040	1.5
121.10122	24.3
123.11704	4.5
131.08560	11.6
131.39586	1.4
133.10129	13.7
135.08006	2.1
135.11662	9.7
149.13229	45.8
150.13579	2.0
159.11665	21.4
162.13808	1.6
177.12718	8.9
195.13742	12.9
225.72687	1.6
269.17392	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03922	3.5
55.01849	2.4
55.05503	24.2
57.03168	2.0
57.03429	31.1
57.07053	3.6
59.04993	1.5
61.46330	1.0
65.03910	2.4
67.05495	76.8
69.07058	26.9
70.33181	1.6
70.33580	3.2
71.04994	5.6
71.84022	1.1
73.97555	1.0
79.05482	47.0
81.03407	2.0
81.07044	100.0
83.04977	11.6
83.08155	1.7
83.08607	18.5
85.02870	1.1
85.06506	4.8
91.04918	2.3
91.05466	27.6
93.07032	71.8
95.04954	7.6
95.08592	25.8
97.06513	15.4
97.10120	1.7
97.94579	1.1
99.08052	4.5
101.19775	1.1
105.07017	11.7
107.08572	35.4
109.06470	2.6
109.10109	4.3
111.08076	9.2
117.06989	10.5
119.08568	3.4
121.10128	19.3
123.08055	1.2
123.11663	3.0
125.09612	1.3
131.08542	11.6
133.10114	13.3
135.08006	2.2
135.11681	12.6
139.11186	2.3
147.11639	2.2
149.13239	38.4
149.14444	2.2
150.13496	1.3
151.11183	1.9
157.10121	1.2
159.11670	23.9
161.13246	1.6
167.14320	1.2
167.99887	1.6
177.12738	11.3
179.14340	1.9
195.13789	14.8
204.64601	1.1
205.97163	1.0
213.14914	1.9
269.17422	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
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
53.03934	4.9
55.01866	6.7
55.05503	36.3
56.79979	2.1
57.03153	2.2
57.03423	14.1
57.07062	9.1
61.02919	21.7
62.32384	2.4
63.34556	2.5
65.03899	2.4
66.44096	2.7
67.05498	52.6
69.03420	33.5
69.07060	71.6
69.52245	22.2
71.04973	7.1
73.73374	2.5
76.05803	2.4
79.05488	29.6
81.03419	6.9
81.07045	100.0
83.04974	28.8
83.08591	14.4
85.02894	21.5
85.06537	10.4
87.04454	16.7
91.03945	16.7
91.05474	29.6
93.07027	57.6
95.04973	13.3
95.08591	59.5
97.02888	24.4
97.06519	14.0
97.10162	7.3
99.04455	7.1
99.08068	6.1
105.07014	49.0
107.04901	4.2
107.08578	38.9
109.02863	11.6
109.06504	12.4
109.10151	22.2
111.04433	32.3
111.08080	10.4
111.11711	56.7
115.03931	13.6
115.05453	3.7
117.06999	9.2
119.08564	32.9
121.06495	9.9
121.10117	28.3
123.04410	11.5
123.08022	9.9
123.11677	24.0
125.06006	6.5
127.03893	4.2
127.07541	3.7
130.84795	2.9
130.93405	2.3
131.08575	12.8
133.04938	7.7
133.10123	16.0
135.08028	9.8
135.11682	28.9
137.05934	12.9
137.09546	4.3
137.13191	5.3
139.07503	7.1
139.11096	2.9
141.05405	3.1
143.08551	4.5
145.06520	3.0
145.10115	15.6
147.08066	3.7
147.11664	31.5
149.09645	5.2
149.13239	35.6
151.07596	2.9
151.11180	4.7
153.12711	5.8
155.07051	7.3
155.08537	4.8
157.08571	2.4
157.10081	5.2
159.08073	4.5
159.11703	12.9
161.09766	3.1
161.13264	24.1
163.07582	4.0
163.11163	8.2
165.09132	3.2
165.12759	5.1
169.10066	2.3
171.11714	3.1
173.08115	3.4
173.09584	3.1
173.13214	8.0
175.11174	3.5
177.09122	3.2
177.12726	10.2
179.14293	39.1
185.13147	4.2
187.14775	12.4
190.06419	3.1
191.06929	2.9
191.17969	7.0
193.66167	2.9
197.13264	5.9
203.14333	8.5
205.15837	3.8
209.19012	4.1
215.14336	21.5
215.17914	6.9
219.06377	3.1
221.15373	12.1
233.15334	26.2
251.09222	4.0
251.16324	17.7
251.20110	7.1
269.04547	2.7
269.08029	3.2
269.17459	47.5
269.20627	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	269.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.4
53.85063	1.1
53.87265	1.4
55.01852	2.9
55.05284	2.0
55.05505	23.9
57.03430	36.2
57.07063	4.1
65.03929	2.2
67.05499	82.0
68.05824	1.6
69.07059	32.0
70.83124	4.5
71.04971	7.6
71.55812	1.2
76.18794	1.5
76.62729	1.1
79.05484	44.0
80.80838	1.2
81.03367	2.5
81.07045	100.0
83.04958	8.3
83.08603	19.4
85.06530	6.9
91.04932	1.7
91.05470	28.3
93.07032	71.4
95.04954	8.5
95.08595	23.8
97.05953	1.4
97.06519	15.0
99.08083	3.3
105.04469	1.7
105.07018	12.1
107.08583	37.1
107.09325	1.8
109.06494	3.3
109.10125	4.3
111.08070	9.4
113.09631	1.8
114.29050	1.3
117.06991	10.7
119.08579	4.0
120.61329	1.2
121.06437	2.0
121.10125	22.8
123.11689	4.3
131.08563	10.2
133.10092	14.4
135.08005	3.0
135.11673	11.5
145.10091	1.6
147.11627	2.4
149.09595	1.6
149.13246	37.4
151.11127	2.3
159.11676	23.3
177.12726	10.0
179.14149	1.3
183.11711	1.4
195.13771	16.3
269.14755	2.6
269.17410	47.8
269.22314	3.2
280.92981	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1742
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03926	4.5
55.01846	2.4
55.05501	22.1
57.03426	29.7
57.07060	2.6
65.03922	3.5
67.05494	86.7
69.07052	32.8
69.71487	13.3
71.01322	1.5
71.04978	8.6
79.05481	46.4
81.03394	2.0
81.07043	100.0
83.04984	8.7
83.08606	18.1
85.06541	8.6
85.43987	1.6
91.05466	27.8
93.07027	71.5
95.04967	9.1
95.08590	26.9
97.06503	13.6
99.08076	5.5
101.39179	1.5
105.07042	11.0
107.08578	36.0
109.06492	4.0
109.10136	7.3
111.08060	9.7
111.11709	1.9
117.07009	10.8
119.08550	4.3
121.06525	1.9
121.10121	20.1
123.11694	4.4
131.08569	13.9
133.10094	14.9
135.11656	12.5
143.08624	1.7
147.11716	1.6
149.13225	44.5
151.11151	2.3
159.11668	22.4
177.12711	12.0
179.14302	2.7
195.13765	11.5
239.60431	1.5
269.17380	46.5
269.21939	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03919	4.1
55.01858	3.1
55.05503	21.4
57.03165	1.6
57.03427	29.8
57.07064	5.2
65.03920	3.0
67.05493	80.2
69.07056	26.6
69.37417	12.3
69.68171	1.1
71.04980	6.3
71.08620	1.3
73.02874	1.1
73.82556	1.0
79.05024	2.0
79.05481	40.5
81.03378	1.6
81.07043	100.0
83.04958	10.0
83.08606	17.1
85.06515	6.4
85.49847	0.9
91.05466	27.5
91.60857	1.1
93.07028	66.5
94.07378	1.2
95.04958	5.7
95.08590	20.3
97.06503	15.5
97.10107	1.6
99.08066	5.3
105.06440	1.1
105.07018	11.3
107.08572	37.9
109.06487	2.4
109.10115	5.0
111.08052	10.6
111.11670	1.3
111.41960	1.1
117.07008	9.6
119.08569	2.0
121.06465	1.6
121.10133	19.6
123.08049	1.7
123.11681	4.4
131.08543	11.1
133.10136	12.2
135.08015	2.8
135.11676	11.4
139.11185	1.9
143.08534	1.3
147.11685	1.7
149.09566	2.6
149.13231	38.8
151.11119	2.3
157.10063	2.0
159.11662	20.6
177.12733	10.8
179.14278	1.3
195.13757	12.7
205.14120	1.2
248.03975	1.0
269.17426	51.0
269.22223	2.4
270.17920	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	269.1743
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.02617	1.5
53.03937	3.4
53.69736	1.4
54.36432	1.5
55.01854	3.2
55.05502	21.9
57.03157	2.1
57.03428	31.0
57.07060	4.1
58.52473	1.3
65.03924	2.3
67.05494	79.0
69.07056	33.7
71.04983	7.5
71.08616	2.3
79.05481	48.6
81.03423	3.0
81.07043	100.0
83.04956	10.6
83.08607	19.2
85.02172	1.4
85.06523	4.7
91.05466	30.7
93.07030	71.9
95.04958	5.8
95.08587	29.0
95.09191	1.6
97.06521	16.3
97.10133	2.8
98.20641	3.3
99.08079	3.8
100.92440	1.4
101.79683	1.4
105.07040	12.1
107.08581	36.3
107.09692	1.5
109.06463	2.6
109.10138	6.9
111.08046	9.4
115.84982	1.5
117.06994	10.3
119.08577	5.1
121.10132	19.4
123.11697	5.4
129.06975	2.9
131.08556	12.2
133.10117	10.7
135.08000	3.2
135.11656	10.0
139.11192	2.5
145.10138	1.7
149.13234	39.8
157.10063	2.1
159.11668	21.4
167.14360	1.5
177.12701	12.4
195.12161	2.0
195.13783	10.7
213.14651	2.1
251.20065	4.3
269.17365	44.0
270.17838	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03926	3.7
55.01856	2.4
55.05506	20.8
57.03431	30.6
57.07050	3.1
65.03911	2.8
67.05497	73.8
69.07062	27.5
69.71685	7.6
71.04977	7.0
71.08589	1.0
79.05488	43.6
81.03409	1.7
81.07047	100.0
83.04964	9.8
83.08610	18.0
85.02868	1.0
85.06544	6.5
85.78754	1.0
87.85435	0.9
91.04919	1.6
91.05468	26.7
93.07034	71.3
95.04962	7.9
95.08600	26.1
97.06518	14.6
97.10115	1.7
99.08059	4.5
105.07014	9.4
107.08582	37.9
109.06477	3.5
109.10143	3.1
111.08063	7.7
111.11687	1.4
113.09659	1.1
117.06999	8.4
118.89008	1.0
119.08572	2.5
121.06509	1.4
121.10133	23.8
123.11691	3.2
131.07787	1.1
131.08569	11.3
133.10127	10.3
135.08018	1.5
135.11674	11.0
139.11134	2.6
145.10075	1.0
147.11691	1.5
149.09589	1.6
149.13239	40.9
150.13559	1.1
151.11156	1.8
157.10072	1.6
159.11681	18.7
167.14285	1.3
171.11758	1.5
177.12715	9.4
195.13783	12.4
213.14737	1.8
243.89784	1.1
269.17422	47.3
269.22467	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	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.36702	0.8
52.55852	1.0
52.64685	0.9
53.03930	2.6
55.01859	2.1
55.05236	1.3
55.05499	21.8
57.03167	1.7
57.03428	26.9
57.07048	3.1
61.30154	1.0
65.03931	2.2
67.05492	71.9
69.03396	0.9
69.07056	28.3
71.04968	6.9
71.08615	1.9
71.31419	2.1
79.05022	2.1
79.05479	43.4
81.03389	3.5
81.07042	100.0
82.07369	1.1
83.04961	8.6
83.08608	17.7
85.06525	6.6
85.89629	1.0
91.04923	1.5
91.05466	26.6
93.07028	63.9
95.04948	6.8
95.08007	1.7
95.08588	25.6
97.06512	13.8
97.10117	2.8
99.04438	0.9
99.08060	3.4
105.07010	14.2
107.04890	1.1
107.08574	36.2
109.06499	4.7
109.10138	8.7
110.01066	1.0
111.08072	8.9
111.11726	1.1
112.04063	0.9
113.09582	1.1
115.05452	1.1
117.06983	9.5
119.08538	7.0
121.06456	2.4
121.10124	19.2
123.11676	6.5
125.09639	1.0
129.06990	2.8
131.08548	12.8
133.10103	15.3
135.08026	2.1
135.11667	11.9
137.09650	1.1
139.11130	2.1
142.07745	1.0
143.08498	2.7
145.10074	3.7
147.11653	3.0
149.09586	1.5
149.13232	37.5
151.11180	2.0
155.08542	1.0
157.10100	3.9
159.11668	21.9
161.13257	1.8
167.14188	1.7
171.11653	3.2
173.13225	3.2
177.12733	9.5
181.59297	1.0
183.11649	1.3
185.13213	2.2
187.14732	1.5
195.11938	1.2
195.13768	8.3
199.14804	3.3
213.16418	2.0
215.17932	1.7
227.18011	1.5
251.20065	1.6
269.07782	4.7
269.12805	1.9
269.17413	37.5
269.22504	14.2
270.17773	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20583	1.6
50.56872	1.6
52.89310	1.8
53.03930	2.5
55.01851	6.6
55.05502	25.7
57.03430	4.6
57.07057	5.7
59.04993	2.1
67.05493	97.1
69.03402	1.8
69.07053	29.6
70.27043	3.1
70.27463	5.5
71.04984	28.7
75.66869	1.8
79.05482	42.3
81.03391	2.5
81.07042	100.0
83.04958	7.0
83.08594	22.2
85.06519	20.6
91.05456	31.7
93.07030	53.7
95.04957	5.0
95.08593	83.2
95.33694	1.8
97.06509	19.6
97.10157	11.2
98.21381	2.1
99.08043	5.0
105.07024	22.7
107.04940	3.6
107.08572	40.0
109.02840	2.1
109.06485	4.0
109.10133	42.6
111.04395	1.8
111.08075	7.1
111.68509	2.0
115.07584	2.0
117.07014	10.8
118.22517	1.7
119.08558	23.9
121.06431	2.1
121.10118	36.4
121.10972	2.5
123.08013	4.7
123.11700	15.6
125.09631	3.3
127.07582	2.2
129.07033	2.5
131.08540	26.5
133.10109	35.5
135.08041	5.3
135.11681	27.5
137.09616	8.4
137.13232	3.5
139.11150	4.4
143.08551	5.1
145.10104	21.0
147.11638	12.6
149.09637	6.5
149.13219	21.2
151.11166	9.6
155.08475	2.2
157.08980	1.9
157.10146	6.8
159.11652	17.6
161.13220	6.0
163.11087	3.3
165.12688	1.7
167.08522	1.9
167.10612	2.9
169.09988	2.4
171.11632	3.8
173.13266	9.3
175.14888	3.0
177.06949	2.4
177.12758	4.9
181.10107	2.0
181.12155	3.2
185.13268	5.0
187.14822	6.3
189.16383	3.8
191.17955	6.9
195.08018	4.5
195.13806	3.4
197.06059	2.2
199.14821	3.4
205.06461	2.6
205.19453	2.1
211.14903	2.4
213.16354	4.2
215.17908	29.0
223.07510	5.6
227.07089	1.8
233.18996	24.2
241.19334	2.2
251.06947	3.5
251.20100	28.6
269.08060	19.2
269.12808	2.8
269.17398	2.2
269.18649	2.4
269.21100	7.7
269.22644	9.0
270.08636	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	269.2108
Annotation	(+)-Isojuvabiol
Peak:m/z	Relative Intensity
53.03929	3.1
55.01860	3.1
55.05508	22.5
57.03434	8.1
57.07059	4.9
65.03928	3.0
67.05497	77.8
69.03423	2.4
69.07061	22.0
71.04613	1.3
71.04985	19.0
71.08593	1.7
71.70605	1.8
79.05487	33.7
80.05813	1.5
81.03397	1.8
81.07047	100.0
83.04965	4.8
83.08614	15.9
85.02882	1.8
85.06531	10.5
85.10112	1.3
91.05463	26.0
93.07037	56.1
95.04955	4.2
95.08596	79.4
97.06521	9.8
97.10167	10.6
99.08076	2.5
105.07010	14.1
107.04980	1.2
107.08578	35.0
109.06519	3.9
109.10146	40.6
111.08086	6.4
111.11726	2.6
113.05975	1.5
117.07018	7.6
119.08563	17.7
119.66943	1.2
121.06486	5.1
121.10143	20.3
123.08042	3.8
123.11701	14.8
125.09620	2.5
127.07527	1.6
131.08556	15.4
133.10110	23.9
135.08026	6.8
135.11679	18.3
137.09587	10.7
137.13249	4.7
139.07524	3.0
141.09119	1.6
143.08537	2.8
145.10126	11.6
147.11691	5.6
149.09590	4.5
149.13243	18.5
151.11165	10.3
151.14845	1.4
153.09079	5.4
155.10660	2.0
157.10083	3.2
159.11670	14.0
161.13264	2.4
163.11185	2.7
165.07008	1.1
165.12712	2.1
166.07591	1.1
167.08487	1.5
167.10645	3.3
169.10129	1.8
169.12291	1.2
171.11653	2.3
173.13252	5.6
175.14815	1.9
177.06995	1.5
177.12686	4.4
181.10175	1.0
181.12204	2.7
185.13260	3.1
187.14780	4.5
189.16423	3.1
191.17960	4.9
195.08112	2.1
195.11713	1.8
195.13788	6.1
199.14874	2.6
205.06531	1.5
213.16296	1.6
215.17941	22.3
221.18889	1.7
223.07565	2.0
226.06105	1.4
233.18991	8.9
233.64359	1.1
251.07051	4.1
251.20047	12.3
269.08157	9.6
269.12793	2.4
269.15201	2.0
269.17529	9.6
269.21075	7.4
269.22845	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	269.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01848	1.9
55.05500	30.8
57.03412	2.3
57.07058	7.4
63.21037	1.7
65.03912	2.9
67.05491	90.9
69.03414	3.8
69.07050	32.5
70.16543	8.2
71.04979	16.0
71.08614	3.1
74.44898	1.8
79.05477	38.1
81.07040	98.2
83.04955	3.8
83.08598	18.4
85.02860	1.8
85.06524	7.8
85.10144	2.6
87.97369	1.5
91.05462	22.7
93.07021	46.1
94.61584	1.5
95.04945	5.4
95.08585	100.0
96.08935	1.8
97.06506	12.9
97.10137	11.1
99.08065	2.7
103.05388	1.6
103.14456	1.4
105.07008	17.3
107.04926	1.7
107.08575	32.7
109.06501	4.2
109.10134	57.7
111.08046	4.2
111.11684	3.5
113.09568	1.8
117.06979	6.0
119.08559	12.5
121.06505	3.3
121.10125	41.2
123.08046	6.4
123.11690	15.4
125.05944	3.1
127.07533	3.0
128.33206	1.5
129.06947	2.0
131.08531	12.1
133.10117	23.2
135.08037	4.9
135.11673	30.5
137.09590	7.6
137.13234	4.8
139.07553	2.0
145.10063	10.0
147.11655	6.6
149.09616	4.0
149.13234	11.9
151.11128	8.5
153.09097	3.8
155.08524	2.0
157.10147	4.0
159.11681	10.4
161.13214	2.2
163.11192	2.9
167.08592	2.2
167.10657	2.2
173.13261	6.9
175.14836	1.7
177.06898	2.0
181.12260	1.6
187.14801	4.7
189.16435	3.1
191.17906	28.0
199.14783	2.4
205.06335	2.1
205.19470	2.7
209.18971	16.7
213.16313	3.3
215.17941	16.9
223.07550	1.8
226.06316	2.0
227.20099	3.5
233.18938	13.0
251.06987	3.7
251.20003	19.3
269.07901	10.0
269.18658	2.9
269.20813	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	269.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.01846	4.2
55.05503	28.5
57.03422	9.1
57.07059	5.9
65.03920	2.5
67.05495	94.0
69.07062	31.8
69.39790	1.6
69.41161	15.9
71.04984	19.8
71.08614	2.6
77.03896	1.5
79.05013	2.6
79.05482	42.3
81.03389	2.1
81.07045	100.0
83.04964	6.9
83.08599	19.2
85.06532	11.2
85.11971	1.3
90.50516	1.5
91.04932	1.6
91.05470	28.9
93.07030	61.0
95.04958	6.6
95.08592	82.2
95.49898	1.6
97.06521	12.4
97.10163	11.7
99.08119	2.1
105.07019	23.0
107.08581	37.4
109.06498	4.3
109.10147	38.8
111.08068	5.9
111.11705	2.6
117.06992	8.0
119.08561	17.7
121.06491	6.2
121.10118	26.6
123.08048	5.7
123.11686	15.7
125.06050	1.6
125.09625	1.6
131.08546	16.9
133.10115	28.5
135.08015	7.9
135.11674	22.7
137.09634	9.9
137.13234	5.0
139.07495	4.2
143.08574	3.1
145.10080	11.8
147.11647	8.0
149.09604	5.3
149.13228	20.5
151.11133	9.7
153.09120	4.3
155.10619	2.2
157.10115	5.9
159.11684	18.6
161.13232	3.0
163.11142	4.9
167.08499	1.8
167.10587	3.6
167.14316	1.7
169.10080	2.0
171.11644	3.2
173.13190	7.0
177.12741	5.0
181.06381	2.3
181.12215	3.1
185.09596	1.4
185.13234	3.6
187.14786	4.2
189.16312	2.7
191.14342	2.0
191.17947	6.6
195.08096	1.8
195.11920	2.1
195.13794	8.4
198.06659	1.5
199.14761	3.3
205.06520	2.6
209.13316	1.5
209.92944	1.6
213.16371	2.9
215.17967	23.8
223.07634	4.0
226.06181	1.5
227.06915	2.0
233.19000	13.0
251.07045	3.9
251.20073	17.4
254.09473	1.5
255.06654	2.0
269.08060	11.6
269.11386	2.5
269.17215	11.0
269.21490	5.8
269.22562	8.3
270.08591	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	269.2107
Annotation	(+)-Isojuvabiol
Peak:m/z	Relative Intensity
53.03938	2.6
55.01851	4.3
55.05503	25.3
57.03424	6.8
57.07049	6.7
65.03931	3.1
67.05494	82.7
69.03420	11.1
69.07053	25.5
70.83601	3.3
70.83945	2.7
71.04979	23.0
79.05478	34.4
79.05930	2.7
81.03415	7.9
81.07043	100.0
83.04967	11.9
83.08610	15.8
85.02901	2.6
85.06535	11.8
86.09682	2.8
91.05466	28.6
92.21362	1.6
93.07029	48.5
95.04944	5.8
95.08588	82.8
97.06500	11.4
97.10143	9.7
99.04456	3.6
99.08094	4.0
105.07024	17.6
107.04930	2.0
107.08582	25.4
109.06514	5.5
109.10136	40.5
111.04421	2.5
111.08065	14.4
111.11691	2.4
114.19073	1.3
115.07606	2.0
117.06985	5.2
119.08555	15.5
121.06483	5.4
121.10126	31.1
123.04382	3.0
123.08048	5.4
123.11698	15.0
125.09632	3.1
127.07549	5.7
131.08551	14.2
133.06427	1.8
133.10107	21.8
135.08070	7.9
135.11664	20.0
137.09563	10.7
137.13255	4.3
139.07504	9.1
141.09042	7.1
143.08513	1.6
145.10114	10.3
147.11655	6.9
149.09622	6.7
149.13223	13.3
151.07541	2.3
151.11107	7.9
153.09090	4.1
153.26553	1.5
155.10599	1.5
159.11679	12.5
161.13274	1.9
163.07509	1.6
163.11160	5.3
165.12767	2.6
167.10678	2.4
173.13219	6.4
175.14796	1.7
177.12761	3.6
181.12257	2.5
187.14787	3.6
189.16447	2.8
191.17926	10.3
195.13829	3.6
205.06561	2.3
209.09703	2.1
209.11685	3.3
209.18983	4.1
215.17949	19.7
223.07436	3.1
233.15308	1.8
233.18921	12.6
241.08664	2.3
251.06927	1.7
251.20013	15.8
255.91699	1.3
269.08099	6.4
269.11395	2.6
269.20972	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	270.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25350	3.9
55.01864	6.2
55.20047	4.0
57.03426	4.2
59.04999	20.7
69.52198	3.9
70.94980	7.6
70.95302	5.3
75.04458	10.1
85.02927	4.8
87.04442	28.0
89.06030	4.8
92.99171	3.4
98.06052	4.9
103.03923	13.4
109.02819	4.8
121.06575	3.8
131.03386	17.0
136.06186	21.8
138.07724	6.7
149.05975	8.3
161.04436	38.0
174.83057	3.4
175.61586	3.7
217.03406	100.0
235.04520	17.4
270.09726	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	270.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01870	2.4
55.05486	1.0
56.83114	0.4
56.96561	3.8
57.03431	3.8
58.82823	0.4
61.02906	1.6
61.03405	0.5
65.03903	0.5
67.05486	1.0
68.84000	0.4
69.03421	4.4
69.06997	0.6
69.96416	1.1
69.96826	2.3
70.06585	4.9
70.29827	0.4
71.01324	1.4
71.04975	0.5
73.02908	3.2
79.04230	0.6
79.05470	1.4
81.03394	1.7
81.07037	0.7
83.04940	0.8
85.02900	5.8
87.04438	0.7
91.05476	1.4
94.06570	0.6
95.04958	1.2
96.04487	2.0
97.01382	0.6
97.02894	3.7
97.71892	0.5
98.06043	1.1
98.97562	2.7
100.02449	0.4
101.00879	1.7
101.02396	0.5
102.47737	0.4
103.02454	0.6
107.04963	1.1
108.04494	0.5
109.02890	0.6
109.06562	0.7
110.06014	0.8
110.07129	0.6
111.99690	0.4
112.04714	0.4
113.00780	0.5
115.02422	5.5
115.03930	1.5
116.07056	0.5
116.98613	2.0
117.03960	0.7
117.04762	0.5
118.03564	0.6
118.45722	0.4
119.01914	6.3
119.04931	0.7
119.08685	0.4
120.05245	0.5
122.04791	0.5
122.05977	0.5
123.04404	1.4
124.03916	0.6
127.01649	0.7
127.03907	1.1
127.08624	0.7
128.98616	1.0
129.03944	2.3
131.01894	2.4
131.04933	0.4
133.03459	5.9
133.04971	2.2
134.03549	0.6
134.99638	0.8
136.06180	1.5
136.33232	0.4
137.02956	1.1
138.05486	100.0
139.05850	1.0
143.01845	0.8
145.03488	0.9
146.99640	0.8
147.05043	2.7
149.05927	0.7
153.05495	0.5
154.03525	1.3
155.08139	0.8
158.06645	1.2
158.99696	0.6
159.01288	0.5
160.56380	0.5
161.01178	0.7
161.02965	1.5
161.06673	0.7
164.07059	0.8
165.05560	0.5
168.99786	0.7
169.03474	0.6
170.03625	0.5
173.01208	0.5
173.02986	0.9
176.07565	0.7
177.00706	0.8
177.02434	0.5
182.02945	0.7
185.01154	0.8
185.02811	0.5
186.05914	0.5
187.00870	0.8
187.17606	0.4
188.07674	1.1
189.02315	0.7
198.06143	0.9
201.02426	0.8
203.03987	0.6
215.00375	0.8
217.01891	0.6
219.01706	0.6
219.03564	0.8
221.04997	0.6
223.01324	0.6
223.04807	0.5
224.04645	0.7
247.02985	1.2
247.06378	0.6
253.06801	0.6
270.00171	1.5
270.05453	0.6
270.07898	1.0
270.09955	1.3
270.13290	1.1
270.18155	0.8
271.08191	2.4
287.93698	0.6
288.01337	0.5
288.06244	0.7
288.09369	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0588
Annotation	Apigenin
Peak:m/z	Relative Intensity
54.57003	0.1
55.01861	0.2
55.05502	0.3
65.03932	0.2
67.01855	2.2
67.05476	0.3
68.99774	1.8
69.03403	0.4
69.07028	0.3
70.13365	0.5
71.04958	0.3
79.05465	0.4
81.03401	0.4
81.07045	0.7
85.02876	0.2
85.06496	0.3
87.04469	0.1
89.19833	0.1
91.05463	2.3
92.46829	0.1
93.07013	0.4
95.04938	0.4
95.08560	0.2
96.85102	0.1
97.02855	0.2
97.06501	0.3
98.09644	0.2
98.20701	0.1
105.07008	0.2
106.75771	0.1
107.04903	0.2
107.08559	0.3
108.83456	0.1
109.02847	0.5
109.10108	0.2
111.00760	0.4
111.04382	0.2
113.58620	0.2
115.05428	0.2
118.06514	0.2
118.91953	0.1
119.04919	5.7
119.08562	0.2
120.08092	0.7
121.02038	0.2
121.02841	2.1
121.06483	0.1
121.10099	0.3
123.08041	0.2
125.02357	0.2
127.03888	0.2
129.01799	0.5
129.06963	0.2
131.04944	0.2
133.10095	0.3
134.03523	0.2
137.05934	0.2
137.09587	0.2
141.06972	0.5
145.02821	2.3
145.06528	0.2
147.11650	0.2
148.07542	0.3
152.06213	0.2
153.01799	12.0
153.06949	1.1
155.08508	0.7
157.06464	0.3
163.03867	1.2
165.06993	2.6
167.08679	0.2
168.05646	0.4
169.06447	0.5
169.10124	0.2
171.02859	2.7
179.08574	0.2
181.06451	0.5
182.07268	0.2
183.08028	1.0
185.05933	0.3
187.03929	0.4
193.06412	0.3
196.05099	0.2
197.05965	0.6
197.09511	0.2
198.14856	0.4
200.08226	0.3
202.06184	0.1
203.07014	0.5
211.07541	1.1
212.08253	0.2
213.05322	0.2
221.05969	0.4
225.05421	1.0
226.14322	0.3
228.07466	0.2
229.04871	0.7
239.06960	0.3
242.09375	0.1
243.06393	0.8
243.10193	0.2
243.14896	1.0
247.06114	0.3
253.04903	0.1
253.08617	0.2
271.05957	100.0
272.06329	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69747	0.1
55.01853	0.1
55.05489	0.1
65.03928	0.2
67.01852	2.0
67.05482	0.3
68.99778	1.3
69.03413	0.3
69.07056	0.1
71.04974	0.1
71.71014	0.1
76.03860	0.1
79.05465	0.3
79.83703	0.1
81.03422	0.2
81.07045	0.5
83.94042	0.1
85.02864	0.2
89.03890	0.1
90.60658	0.1
91.01800	0.1
91.05463	2.4
93.07021	0.2
95.04929	0.2
95.08596	0.3
97.02850	0.2
98.97572	0.1
105.07006	0.2
107.04925	0.1
107.08593	0.4
109.02819	0.2
109.10128	0.2
111.00761	0.2
115.05475	0.1
116.98616	0.1
119.04919	6.5
119.08540	0.1
121.02850	1.9
121.03738	0.1
121.06433	0.1
121.10117	0.2
123.11669	0.1
125.02322	0.1
127.03885	0.2
127.07523	0.1
129.01807	0.4
129.06972	0.1
131.04866	0.2
133.10045	0.1
135.11638	0.1
141.06953	0.3
145.02808	1.8
145.09998	0.1
147.11662	0.1
149.13228	0.1
153.01797	12.5
153.06932	0.2
154.02138	0.1
155.04893	0.1
155.08492	0.2
157.06461	0.2
161.05959	0.1
163.03871	1.1
165.06963	0.5
167.80396	0.1
168.05713	0.1
169.06477	0.4
171.01454	0.1
171.02856	2.0
173.05956	0.1
179.08482	0.1
181.06422	0.1
183.07983	0.3
185.05928	0.1
187.03908	0.4
187.07547	0.1
197.06013	0.4
201.05579	0.1
203.06943	0.2
210.06841	0.1
211.03816	0.1
211.07484	0.3
215.06995	0.2
215.10779	0.1
217.81236	0.1
221.05960	0.1
225.05461	0.7
229.04887	0.6
233.04552	0.1
239.07024	0.1
243.06502	0.9
247.05992	0.2
253.04866	0.2
254.05730	0.1
270.04910	0.1
271.05954	100.0
272.06277	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0588
Annotation	Apigenin
Peak:m/z	Relative Intensity
50.69747	0.1
55.01853	0.1
55.05489	0.1
65.03928	0.2
67.01852	2.0
67.05482	0.3
68.99778	1.3
69.03413	0.3
69.07056	0.1
71.04974	0.1
71.71014	0.1
76.03860	0.1
79.05465	0.3
79.83703	0.1
81.03422	0.2
81.07045	0.5
83.94042	0.1
85.02864	0.2
89.03890	0.1
90.60658	0.1
91.01800	0.1
91.05463	2.4
93.07021	0.2
95.04929	0.2
95.08596	0.3
97.02850	0.2
98.97572	0.1
105.07006	0.2
107.04925	0.1
107.08593	0.4
109.02819	0.2
109.10128	0.2
111.00761	0.2
115.05475	0.1
116.98616	0.1
119.04919	6.5
119.08540	0.1
121.02850	1.9
121.03738	0.1
121.06433	0.1
121.10117	0.2
123.11669	0.1
125.02322	0.1
127.03885	0.2
127.07523	0.1
129.01807	0.4
129.06972	0.1
131.04866	0.2
133.10045	0.1
135.11638	0.1
141.06953	0.3
145.02808	1.8
145.09998	0.1
147.11662	0.1
149.13228	0.1
153.01797	12.5
153.06932	0.2
154.02138	0.1
155.04893	0.1
155.08492	0.2
157.06461	0.2
161.05959	0.1
163.03871	1.1
165.06963	0.5
167.80396	0.1
168.05713	0.1
169.06477	0.4
171.01454	0.1
171.02856	2.0
173.05956	0.1
179.08482	0.1
181.06422	0.1
183.07983	0.3
185.05928	0.1
187.03908	0.4
187.07547	0.1
197.06013	0.4
201.05579	0.1
203.06943	0.2
210.06841	0.1
211.03816	0.1
211.07484	0.3
215.06995	0.2
215.10779	0.1
217.81236	0.1
221.05960	0.1
225.05461	0.7
229.04887	0.6
233.04552	0.1
239.07024	0.1
243.06502	0.9
247.05992	0.2
253.04866	0.2
254.05730	0.1
270.04910	0.1
271.05954	100.0
272.06277	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.2
55.05500	0.4
57.03413	0.2
59.78976	0.2
60.96892	0.2
64.68288	0.2
65.03918	0.2
67.01860	1.9
67.05499	0.9
68.99784	1.7
69.03416	0.3
69.07066	0.8
69.50738	1.8
71.44064	0.2
79.05476	0.6
81.07040	1.3
83.04987	0.3
83.08596	0.4
85.06510	0.2
91.05464	2.4
93.07019	0.8
95.08607	0.9
97.02872	0.3
97.06516	0.6
98.20539	0.2
99.04437	0.3
105.07000	0.6
107.04981	0.2
107.08575	0.5
109.06502	0.4
109.10146	0.4
111.00751	0.3
112.91447	0.2
113.05974	0.2
119.04926	5.8
119.08549	0.6
121.02850	2.0
121.06480	1.0
121.10168	0.2
123.04408	0.3
123.08038	0.2
125.02340	0.3
125.06014	0.2
129.01794	0.4
131.08569	0.2
131.50571	0.2
133.10103	0.5
135.08008	0.2
135.11671	0.3
137.09668	0.2
140.97614	0.1
141.06929	0.2
143.08539	0.2
145.02837	2.5
147.11656	0.8
149.09560	0.2
153.01808	11.2
153.06987	0.5
159.06569	0.2
163.03899	1.0
165.07004	1.2
165.12694	0.2
168.05775	0.3
169.06453	0.2
171.02867	1.9
171.11668	0.2
175.11182	0.3
175.66843	0.2
181.06512	0.3
183.08072	0.6
187.03923	0.2
189.12715	0.4
193.12247	0.4
197.06049	0.3
199.11232	0.4
201.95802	0.2
203.07019	0.4
211.07475	0.7
217.12228	0.8
221.05840	0.3
225.05452	0.7
225.10220	0.3
229.05014	0.7
235.13275	0.5
243.06468	0.8
253.14290	0.3
271.05972	100.0
272.06326	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0598
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.05509	0.1
57.94764	0.1
62.22419	0.1
65.03916	0.1
67.01507	0.1
67.01857	1.8
67.05490	0.2
68.99779	1.0
69.07064	0.1
70.14455	0.5
81.07036	0.3
91.04924	0.1
91.05465	1.8
93.07024	0.2
95.08601	0.2
98.21515	0.1
109.02845	0.1
109.10146	0.1
109.52179	0.1
111.00805	0.1
115.05452	0.1
117.81593	0.1
119.04927	5.7
119.08583	0.2
121.02847	1.6
125.02326	0.2
129.01836	0.4
141.06956	0.2
145.02829	1.6
145.06497	0.1
145.10112	0.1
146.37265	0.1
153.01808	11.5
163.03877	0.9
169.06425	0.2
171.02866	1.4
181.06422	0.1
187.03914	0.4
197.05972	0.3
203.07022	0.1
220.24710	0.1
225.05432	0.7
229.04938	0.6
243.06497	0.8
247.05960	0.2
253.04836	0.2
271.05969	100.0
272.06305	2.3
287.30060	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	271.096
Annotation	Amoenumin
Peak:m/z	Relative Intensity
55.01861	6.2
55.05497	3.6
57.07060	1.2
61.02902	1.4
65.03932	2.5
67.01855	2.4
67.05505	6.3
68.99782	1.9
69.03409	2.7
69.07042	2.6
69.53066	2.6
69.53471	6.3
71.04967	3.2
77.22694	1.0
79.05486	4.4
81.03403	3.1
81.07045	10.4
83.04962	4.0
85.02873	1.9
85.06547	1.7
89.03902	2.0
91.05463	20.7
93.07037	4.7
95.04954	6.3
95.08584	4.3
97.02865	0.9
97.06499	2.9
97.10165	1.1
98.09686	1.2
99.04438	1.8
103.05445	1.2
105.07028	4.9
105.94869	1.0
107.04942	4.9
107.08565	3.6
107.88099	0.9
109.02862	1.8
109.06506	2.3
109.10124	3.0
111.04413	1.9
111.08085	1.1
115.05443	4.7
117.07005	1.3
118.04173	2.4
119.04923	17.3
119.08564	4.2
121.02798	2.2
121.05719	1.0
121.06476	5.0
121.10131	3.3
123.04407	1.9
123.11658	1.2
124.05200	1.0
125.05956	1.7
127.03909	1.3
128.06133	2.3
129.06967	3.7
131.04956	1.1
131.08524	1.6
133.06433	1.2
133.10141	2.3
134.03593	3.1
135.04402	2.4
135.08075	1.0
135.11673	2.3
137.05969	8.7
137.09596	3.1
139.05399	1.1
140.06166	1.4
141.06993	8.3
142.07768	1.7
143.08546	2.0
144.05742	1.1
145.02820	1.6
145.06470	2.3
145.10065	1.5
147.04385	2.2
147.08014	1.1
147.11589	1.0
149.02264	1.2
149.05951	4.7
149.09552	1.8
150.06706	2.2
152.06174	10.0
153.01828	10.3
153.06967	37.0
154.07756	4.9
155.08525	18.9
157.06514	4.9
157.10149	0.9
159.06335	0.9
161.05977	1.7
161.09671	1.0
163.04010	1.4
165.06975	90.1
166.07515	1.4
167.08563	1.5
167.10641	1.6
168.05676	14.0
169.06454	8.5
169.10051	1.7
170.07237	3.0
171.02843	1.9
171.08044	1.5
178.07542	0.9
179.08493	2.0
179.10603	2.1
180.05759	1.8
181.06448	21.8
182.07251	10.4
183.08034	46.5
185.05952	8.9
187.07393	1.2
193.06343	14.0
194.07245	2.4
195.07962	2.3
196.05154	9.9
197.05988	9.5
197.09698	1.9
198.06754	3.4
198.14977	2.0
199.07486	4.2
200.08281	7.1
207.04333	6.1
209.05908	3.6
210.06700	6.1
211.07510	50.5
212.08272	6.3
213.05376	2.2
213.09058	2.9
215.10558	1.0
217.12300	1.1
221.05945	16.8
222.06473	1.5
225.05473	1.5
225.09052	3.7
226.14401	1.4
227.07013	2.3
228.07681	7.0
239.06992	9.0
240.07805	2.1
241.08603	1.6
242.09389	5.1
243.06476	1.4
243.10179	4.6
253.08723	1.9
256.07202	3.2
257.07971	1.6
270.08810	1.2
271.05997	95.9
271.09613	100.0
272.06238	2.6
272.09952	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	271.0959
Annotation	Amoenumin
Peak:m/z	Relative Intensity
51.22554	0.9
51.78971	0.8
53.03933	2.6
55.01861	6.6
55.05501	3.4
57.03426	1.6
57.07055	1.6
61.02903	1.2
65.03918	2.2
67.01848	1.6
67.05501	8.2
68.99772	1.0
69.03421	4.5
69.07047	3.6
70.06557	1.5
71.04991	4.8
71.69578	1.5
79.05479	5.6
81.03393	2.1
81.07043	11.5
83.04963	3.6
83.08620	1.2
85.02879	2.9
85.06521	2.2
86.75498	0.8
87.61036	0.9
89.03918	1.4
91.04922	1.5
91.05463	18.5
93.07029	7.2
95.04966	5.3
95.08592	7.6
96.09917	0.9
97.02876	1.5
97.06511	2.9
99.04442	2.6
99.08069	1.7
101.06014	1.5
103.05452	1.7
105.06998	6.9
107.04922	4.7
107.08583	3.9
109.02865	2.5
109.06471	2.3
109.10146	6.1
111.04344	1.3
111.08057	1.3
115.05418	3.9
117.03319	1.7
117.06985	1.1
118.04095	2.5
119.04929	16.8
119.08582	4.6
121.02818	2.6
121.06508	4.9
121.10139	4.0
123.04411	3.4
123.08054	1.5
124.05202	2.1
125.06087	1.2
125.09645	1.3
127.03903	2.4
127.11169	1.5
128.06186	1.4
129.06976	3.8
131.04904	1.1
131.08514	2.1
133.06445	1.6
133.10097	4.0
134.03577	1.4
135.04404	2.5
135.07904	1.1
135.11678	1.7
137.05949	8.4
137.09573	3.2
140.06177	1.3
141.06967	9.4
143.08508	1.6
145.02776	1.5
145.06488	2.1
145.10115	1.7
147.04396	2.3
147.11652	1.7
149.05957	3.3
149.09615	3.4
151.03889	1.6
151.11142	1.9
152.06177	10.0
153.01794	7.7
153.06967	38.5
154.07738	4.7
155.04878	1.8
155.08527	18.7
157.06445	4.4
157.10222	1.3
159.11623	1.5
161.05968	1.8
161.09680	1.1
161.13303	1.4
163.03900	1.4
163.11115	1.8
165.06978	86.7
166.07552	1.9
167.07050	1.3
167.08521	1.8
167.10646	1.6
168.05692	15.0
169.06451	6.8
170.07204	2.7
171.02817	2.1
171.08008	2.6
171.11708	1.4
175.14810	1.1
178.07832	1.2
179.04904	1.2
179.10629	1.9
181.06447	20.4
182.07239	8.5
183.08038	46.6
185.05878	6.7
189.12790	1.3
193.06328	13.2
193.07971	1.0
194.07207	2.6
195.08034	1.7
196.05165	9.5
197.05957	8.8
198.06715	3.3
198.14783	1.6
199.07545	2.2
200.08284	6.1
207.04324	4.7
207.08025	1.3
209.05975	1.6
210.06732	4.9
211.07518	45.8
212.08296	5.9
213.05400	3.3
221.05940	14.6
223.16705	1.1
225.05391	1.3
225.09111	3.6
226.14272	1.5
227.07018	2.3
228.07681	7.3
235.20389	1.1
239.06975	11.3
240.07721	2.1
241.08452	1.8
242.09259	6.1
243.10164	4.3
253.08554	2.7
256.07065	2.8
257.08145	1.7
271.05991	79.8
271.09601	100.0
271.17053	4.1
272.06351	2.2
272.09961	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1437
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
50.48833	0.8
55.05488	1.4
57.07076	1.1
64.52481	0.7
67.05474	3.2
69.03382	0.9
69.07053	1.8
69.88938	4.3
79.05466	3.4
81.05779	1.3
81.07043	4.9
83.04974	0.8
83.08569	0.9
91.05457	2.0
93.07021	2.1
94.06514	1.1
95.04921	1.2
95.08576	1.7
96.08112	2.8
105.07006	2.9
106.06537	2.3
107.08561	2.1
108.08112	8.2
108.08823	1.2
109.10046	1.7
115.05479	1.0
117.07042	1.0
118.06518	1.1
119.08565	1.8
120.08063	1.1
122.09605	0.9
124.68930	0.8
131.08603	1.2
133.10092	3.1
134.06010	1.6
136.07513	1.1
143.08537	1.4
144.08102	1.6
145.10036	1.2
153.01759	2.0
154.06433	1.3
155.08527	1.1
156.09259	0.9
157.08737	0.8
157.10104	2.2
158.09578	1.3
159.07986	0.9
159.09129	1.0
159.11647	1.6
168.08057	6.0
169.08870	4.5
169.10088	0.9
170.09564	1.2
172.07547	1.3
173.13280	0.9
174.09116	1.7
181.10080	1.8
182.09607	3.1
183.10361	7.6
183.11517	0.8
185.10625	1.4
186.09161	1.3
186.11424	2.0
196.07491	4.0
197.08344	6.6
198.09360	1.0
198.12770	8.3
199.08601	7.1
199.12350	0.9
200.13052	1.9
201.16507	0.9
210.09132	2.4
210.11388	1.1
211.09900	14.9
212.09360	1.7
213.10193	11.7
214.10875	3.7
215.15402	3.3
225.13773	1.7
226.12247	29.3
226.14493	1.5
227.08272	1.8
227.11754	23.6
228.12520	30.4
229.12888	1.9
239.11786	1.1
240.08923	2.0
241.09663	2.1
241.13226	0.8
242.10478	1.3
243.14917	23.9
243.17416	1.4
244.15045	0.8
253.13315	4.2
254.11684	1.5
255.08516	1.7
255.11230	32.9
256.12018	39.3
257.12442	0.8
268.90775	0.8
269.12805	1.0
271.06046	18.7
271.14371	100.0
271.20557	3.1
272.06421	1.0
272.14767	3.9
272.25812	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12697	0.2
53.03930	0.7
54.26334	0.2
55.01846	0.5
55.05502	4.7
57.03413	0.9
57.07062	1.6
67.01856	1.7
67.05495	14.3
68.99780	1.2
69.03405	0.8
69.07057	7.0
70.04317	0.7
70.04732	1.0
71.04984	2.3
71.08616	0.8
72.53598	0.3
78.96893	0.3
79.05478	5.4
81.03370	0.5
81.07046	11.9
83.04935	0.6
83.08158	0.4
83.08604	3.7
85.06526	3.3
91.05465	5.7
93.07036	6.4
95.04965	1.5
95.08593	8.4
97.06519	2.7
97.10152	1.0
99.04377	0.4
99.08083	0.4
105.07013	2.8
106.07307	0.3
107.08584	3.1
109.06541	0.6
109.10142	3.5
111.08063	0.9
111.11704	0.5
113.05994	0.6
119.04919	5.5
119.08566	3.0
121.02828	1.5
121.06481	0.6
121.10120	3.6
123.08044	0.6
123.11678	1.3
125.09623	0.4
127.07553	0.3
127.11161	0.5
129.01797	0.6
131.08553	0.5
133.10124	2.6
134.58589	0.3
135.11667	3.9
136.87244	0.4
137.06003	0.5
137.09581	0.8
137.13245	0.6
139.11177	0.3
141.06967	0.4
145.02806	1.8
145.10150	0.3
147.08032	0.3
147.11613	1.8
149.09581	0.6
149.13239	1.8
152.06134	0.3
153.01801	11.9
153.06967	0.7
154.02126	0.5
155.08488	0.7
159.07922	0.3
161.13210	1.8
163.03848	1.0
165.06953	1.8
167.10716	0.4
167.14284	0.6
168.05688	0.5
169.06508	0.7
171.02864	1.9
175.14780	0.8
181.06435	0.6
183.08000	1.2
189.12669	0.4
189.16220	0.4
193.06474	0.3
196.05196	0.3
197.06017	0.5
203.06963	0.4
211.07530	1.5
217.12236	0.5
217.19513	1.5
225.05367	0.8
225.10156	1.0
229.04871	0.6
235.20529	1.1
243.06461	0.7
247.05775	0.4
253.14050	0.4
253.21628	1.2
271.05972	100.0
272.06335	7.7
272.10538	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29863	2.4
53.03918	4.1
55.01854	8.9
55.05500	15.9
57.03431	3.1
57.07072	5.2
58.33429	2.2
58.87153	2.3
62.31522	2.6
63.65738	2.1
67.05505	25.9
69.03428	14.3
69.07060	9.3
71.04975	11.0
71.70704	2.5
79.05486	29.6
81.03410	46.5
81.07043	37.0
83.04958	6.4
83.08596	10.6
84.08132	6.9
85.06538	2.7
85.10156	3.0
91.05468	19.0
93.07050	18.4
95.04953	35.0
95.08601	32.3
97.06525	10.0
97.10143	2.8
98.97584	2.3
100.11259	2.8
105.07032	8.4
107.04943	25.7
107.08588	5.6
109.06508	18.6
109.10153	4.8
111.04391	2.8
111.08079	2.4
112.07587	100.0
113.09628	9.5
117.07012	4.1
119.04957	8.0
119.08582	4.7
121.06507	7.1
121.10101	3.7
123.04393	3.3
123.08115	2.7
123.62325	2.3
125.05967	7.2
129.06990	2.5
130.12215	2.5
130.60600	2.6
131.08530	5.0
133.10139	5.3
135.08054	3.9
137.05978	28.7
141.05460	7.4
143.07013	6.3
145.10081	4.0
145.43974	2.6
147.11656	3.1
149.09581	3.0
149.13228	3.3
151.07513	2.8
153.05440	11.7
157.08879	2.6
157.10124	4.7
159.11652	6.9
177.12730	6.9
191.14233	3.8
211.31651	2.7
219.13905	4.6
237.14905	3.7
254.15701	60.9
272.06284	9.6
272.08914	2.5
272.16556	12.1
272.21063	3.5
272.25967	6.3
273.18518	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	273.1844
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03936	1.6
55.01870	4.5
55.05499	6.4
57.03431	1.5
57.07060	0.9
58.90842	0.5
64.91894	0.5
65.03933	6.0
65.28404	0.5
67.05495	62.6
69.03410	0.9
69.07045	4.5
71.04988	0.6
71.70380	0.8
79.05477	12.6
81.03391	1.7
81.07044	12.5
83.04972	1.4
83.08618	1.1
85.06515	1.1
89.27193	0.6
91.05468	17.7
91.06039	0.9
93.07031	12.6
93.07590	1.1
95.04953	100.0
95.08588	8.0
97.06520	3.8
97.10201	0.5
101.76024	0.6
103.05448	1.1
105.07011	15.0
107.04939	11.6
107.08570	6.1
109.02845	0.7
109.06509	6.1
109.10139	1.7
111.08031	2.9
115.05460	1.5
116.06240	0.6
117.07007	5.5
119.04941	1.1
119.08569	7.9
121.06491	5.0
121.10139	2.4
123.08052	2.2
128.06207	2.4
129.06981	3.7
130.72963	0.5
131.08553	9.0
133.06491	3.5
133.10112	3.7
135.08054	2.6
135.11665	4.0
137.05913	2.7
137.09616	1.2
139.33000	0.6
141.06949	1.1
142.07816	0.8
143.08549	4.5
145.06473	1.9
145.10101	5.6
146.07251	0.8
147.08029	6.0
147.11681	1.7
149.09628	1.8
149.13249	1.5
157.06599	0.7
157.10114	3.6
159.08049	1.3
159.11682	3.1
161.09616	2.5
163.11189	2.1
169.10164	1.5
171.11678	2.0
173.09573	1.3
173.13232	0.9
175.11169	1.1
177.12791	0.7
185.13228	1.4
187.11188	2.5
189.12755	1.0
195.11710	0.8
197.13126	0.6
199.11279	0.8
205.12267	0.9
213.16296	0.6
227.17888	1.7
245.19035	1.9
255.17415	1.5
273.18466	21.5
273.21680	0.9
273.29623	1.5
274.27380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1845
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.01861	1.1
55.05503	5.5
57.07048	2.4
59.04980	2.3
67.05513	7.2
67.05826	1.7
67.75238	0.9
69.03418	2.5
69.07064	5.4
69.42933	10.6
71.04980	4.6
79.05474	8.8
79.78735	1.1
81.07046	10.9
83.04955	4.9
83.08605	2.6
84.42561	1.0
85.06522	5.5
91.05475	11.3
93.07031	9.7
95.04958	25.8
95.08600	9.8
97.06515	1.7
97.10162	1.9
98.20695	1.6
99.08080	2.8
105.07017	21.6
107.08564	14.2
109.06503	27.2
109.10149	10.4
111.08061	6.2
111.43027	1.0
115.05431	2.1
117.07037	7.9
119.08570	27.9
121.06470	2.1
121.10158	7.4
123.08051	26.0
123.11680	2.9
125.09617	1.7
128.06195	3.4
129.06970	6.8
130.07753	3.9
131.08553	19.2
133.06503	1.5
133.10104	13.9
135.08054	8.9
135.11676	4.0
137.09604	8.3
141.06984	4.2
142.07745	9.4
143.08537	16.0
144.09288	3.3
145.06473	1.6
145.10107	41.0
146.07175	1.0
147.07991	6.4
147.11678	18.6
149.09592	3.4
149.13228	1.2
151.07530	3.2
151.11156	4.2
155.08531	4.6
156.09334	13.0
157.10115	28.8
158.07339	1.0
158.10890	5.5
159.08037	4.5
159.11688	12.7
160.08751	1.8
161.09586	6.1
161.13245	6.0
163.11151	3.0
165.06866	1.1
167.08543	3.3
169.10121	5.8
170.10869	3.9
171.11667	23.3
172.12422	3.3
173.09630	12.0
173.13245	29.2
174.10364	3.8
175.11153	12.9
177.12720	1.5
180.09312	1.1
181.10075	4.6
182.10934	6.9
183.08080	1.8
183.11722	4.7
184.08832	1.6
185.09584	3.0
185.13225	11.2
186.13954	1.3
187.11166	16.3
187.14777	6.9
189.12721	21.4
189.16438	1.8
195.11710	5.2
196.12503	1.0
197.13232	18.7
198.14018	1.3
199.11143	13.5
200.11926	2.4
201.12694	2.3
201.16330	1.4
203.10873	1.0
203.14310	4.4
207.11653	2.7
209.13219	1.4
211.14876	4.5
212.15540	2.0
213.12811	6.0
213.16348	14.8
214.13483	3.4
215.14297	36.2
217.12209	11.9
222.13980	1.7
225.12694	4.4
227.14262	1.6
227.17847	3.2
229.15857	5.6
231.13809	1.1
231.17419	14.2
231.19463	1.6
237.16417	5.6
240.15067	3.2
243.13701	1.7
245.18948	1.8
255.17432	34.6
273.18460	100.0
274.18835	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	273.2573
Annotation	Trixagoene
Peak:m/z	Relative Intensity
51.29589	2.7
55.05498	20.2
57.07062	8.5
67.05492	27.5
69.07057	41.3
70.88953	9.6
73.48212	3.3
79.05482	16.5
81.06603	5.5
81.07048	78.9
81.60400	3.0
83.08600	11.9
87.56920	3.0
91.05479	13.2
93.07037	40.8
95.08592	75.5
97.10168	13.7
97.26633	3.1
105.07021	24.5
107.08580	57.7
109.06498	3.5
109.10145	57.2
111.11693	3.7
116.35258	2.9
119.08582	27.5
120.29023	2.7
121.10121	50.1
123.11694	42.0
125.13190	4.4
133.10153	18.1
135.11662	27.9
137.13229	14.7
145.10107	3.4
147.11671	22.1
149.13242	52.9
151.14792	7.2
153.01755	5.4
161.13255	24.6
163.14841	21.6
165.16252	3.8
175.14850	14.4
177.16333	19.6
189.16351	21.3
191.17882	10.1
194.61032	3.0
203.17886	20.1
215.65530	3.2
217.19479	31.0
244.98732	3.0
249.36838	3.0
273.07593	3.9
273.18710	7.3
273.25748	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0481
Annotation	Phenylbenzimidazolesulfonic acid
Peak:m/z	Relative Intensity
55.05498	0.7
56.46959	0.3
61.05145	0.3
66.94085	0.3
67.05492	0.6
69.03388	0.4
69.07052	0.4
69.43932	0.3
70.06572	0.6
70.45602	0.4
70.46003	0.7
71.04974	0.5
79.05458	0.5
80.04988	0.4
81.03389	0.7
81.07053	0.8
83.04977	0.3
85.02882	0.4
86.09702	0.4
91.05474	0.6
92.04982	0.6
93.07025	0.8
94.52796	0.3
95.04965	0.5
95.08582	0.6
97.06510	0.3
98.97563	0.5
105.07005	0.9
107.08556	0.3
108.04457	1.1
109.10163	0.4
111.04377	0.3
113.05956	0.3
116.10719	0.6
116.98606	0.6
119.08578	0.5
120.08167	0.3
130.06557	0.4
131.04892	0.3
131.08572	0.4
132.10152	0.3
145.10059	0.4
146.06024	0.4
147.04387	0.4
151.07520	0.3
158.99673	0.4
173.13213	0.3
175.07492	0.3
177.00751	0.3
182.08398	0.8
193.07559	2.9
194.08372	15.4
195.09169	5.9
200.04532	0.3
209.07080	0.7
210.07869	0.5
211.08640	3.2
223.20473	0.3
226.07339	16.8
227.07689	0.6
257.12781	0.3
275.04803	100.0
275.19919	1.0
276.05237	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	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03933	2.4
55.01862	1.8
55.05507	17.4
57.03411	5.4
67.05184	2.0
67.05497	23.5
69.07073	10.0
70.22814	4.5
71.04978	4.2
79.05480	23.9
81.06606	2.4
81.07047	31.2
83.04969	3.6
83.08591	5.1
85.06522	2.5
90.50357	1.3
91.05473	43.2
93.07033	24.0
95.04951	6.3
95.08602	14.0
97.06516	4.7
97.10127	1.5
103.05472	2.2
105.07021	66.8
107.04935	6.2
107.08582	24.2
109.06523	9.4
109.10127	6.5
111.08054	2.8
117.07033	11.4
119.07735	2.6
119.08572	40.7
121.06486	2.3
121.10122	12.0
123.08030	5.9
123.11690	2.2
129.06973	3.2
131.08546	18.1
133.10109	35.5
135.08017	5.6
135.11674	5.7
137.09578	4.1
141.75711	1.5
143.08548	5.4
145.10132	17.7
147.08014	2.4
147.11668	24.6
149.09554	8.4
149.13261	2.0
155.08589	1.6
157.10115	8.4
158.10904	3.0
159.11685	18.3
161.09561	1.9
161.13197	6.0
163.11142	5.9
169.10126	2.8
171.11621	3.5
173.13229	13.7
175.11142	2.6
175.14827	1.8
177.12752	4.6
183.11615	3.9
185.13191	3.0
187.14755	2.9
197.13258	2.6
199.14839	2.4
201.12750	3.4
203.14308	3.3
215.17754	1.6
229.19508	4.1
239.17958	7.5
247.20432	2.4
257.18951	12.3
275.20029	100.0
275.27765	6.9
276.20346	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03928	2.6
55.01848	3.8
55.05275	1.0
55.05505	14.2
57.03415	3.5
57.07058	1.3
59.95881	0.8
61.05165	1.0
65.03918	1.6
67.05492	21.1
67.82259	0.9
69.03394	1.0
69.07051	9.4
69.70856	1.9
69.71265	5.2
71.04968	2.4
77.03903	1.0
79.05482	21.1
81.03397	1.5
81.07043	28.7
83.04951	3.6
83.08588	4.8
91.05465	41.4
93.07030	21.2
94.28180	1.0
95.04958	5.0
95.08588	18.3
97.06499	3.2
97.10184	2.3
98.40790	0.8
103.05426	1.7
105.07014	59.9
107.04929	5.5
107.08574	17.3
109.06525	6.7
109.10130	5.7
115.05470	1.8
117.06425	0.8
117.07014	10.4
118.07765	1.0
119.08560	36.6
119.09407	2.1
121.06481	4.1
121.10129	8.6
123.08056	6.4
125.09579	1.5
128.06183	1.1
129.06999	2.6
131.08524	15.7
133.06464	1.9
133.10106	39.9
135.08046	7.5
135.11690	5.5
137.09599	2.9
138.71036	0.9
143.08536	3.4
145.10104	15.9
147.08031	1.5
147.11659	17.6
149.09579	5.6
149.13211	2.6
151.11124	1.6
153.54472	1.0
155.08475	1.7
157.10147	3.3
159.11664	9.5
161.09647	2.4
161.13225	5.9
163.11081	3.3
169.10147	2.3
170.10585	0.9
171.11726	2.8
173.13234	5.4
175.11134	2.3
175.14842	1.7
177.12712	2.2
183.11642	3.7
185.13210	3.0
187.14760	2.5
189.12651	1.4
197.13275	2.7
199.14813	1.3
201.12776	2.1
201.16351	1.5
203.14383	1.9
211.14851	1.4
213.16399	1.3
215.14211	1.0
219.01152	0.9
229.19472	4.0
233.15314	1.9
239.17900	4.9
247.20488	3.2
257.18921	11.5
257.26678	1.3
275.20023	100.0
275.27710	7.2
276.20413	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2001
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03928	3.3
55.01873	5.9
55.05240	1.3
55.05502	24.8
55.31975	0.8
55.56124	0.8
57.03411	2.9
57.07065	1.1
61.45039	0.9
65.03935	1.3
67.05496	32.3
69.03419	1.3
69.07053	11.0
69.85010	0.9
70.23244	3.6
71.04971	3.7
79.05484	39.6
81.07043	23.3
83.04954	2.7
83.08618	6.1
85.06515	1.0
88.66348	0.9
91.05470	39.2
91.06041	2.2
93.07034	26.9
95.04937	5.1
95.08589	14.4
97.06499	3.6
97.10175	4.8
103.05443	1.7
105.07018	53.1
107.04942	22.2
107.08575	27.7
107.93742	1.0
109.06504	2.6
109.10139	15.4
111.08054	2.3
114.70985	0.9
115.05424	1.5
117.07005	11.5
119.08569	36.4
121.06475	3.9
121.10132	9.9
123.08036	2.0
123.11668	3.3
125.09639	4.6
129.06992	3.0
131.08548	15.5
133.06462	1.4
133.10112	34.6
135.08051	6.7
135.11691	4.9
137.09601	1.5
143.08543	3.5
145.10123	11.6
147.08031	1.7
147.11668	25.1
149.09598	35.9
149.13242	1.3
151.11218	1.1
153.09036	1.2
155.08548	1.8
157.10110	3.4
159.11676	11.2
161.09532	1.6
161.13222	5.6
163.11156	3.4
165.09076	0.9
169.10112	2.6
169.12221	1.7
171.11682	3.9
173.11670	3.2
173.13248	3.8
175.11125	1.5
177.12724	1.7
183.11630	2.2
187.11194	2.5
187.13335	1.7
187.15002	1.0
197.13217	2.3
205.12215	1.1
215.17970	2.2
229.19484	8.1
230.21123	1.0
239.17937	4.2
247.20503	3.6
257.16409	1.6
257.18945	15.1
275.20029	100.0
276.20270	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	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.91843	0.6
53.03928	0.9
55.01862	3.6
55.05504	13.0
56.11757	0.6
57.03426	1.1
57.07051	1.0
58.22155	0.6
59.04980	0.7
66.58787	0.6
67.05494	15.5
69.03410	1.0
69.07060	8.6
69.67372	3.2
69.67798	1.7
71.04968	1.9
72.40430	0.6
72.72197	0.6
73.06548	0.6
78.34692	0.6
79.05484	20.8
81.03387	1.0
81.07046	16.1
83.04977	3.0
83.08612	4.7
85.06525	1.5
88.07622	1.0
88.44897	0.6
91.05467	33.1
92.05826	0.6
93.07032	18.1
95.04932	3.2
95.08586	9.5
97.06522	3.3
97.10146	2.3
98.20797	1.4
99.08060	0.7
103.05483	0.9
105.07014	50.5
107.04937	4.8
107.08578	16.7
109.06500	2.4
109.10143	6.4
111.08086	1.5
115.05458	1.2
117.07002	10.0
119.08562	29.6
121.06479	3.6
121.10122	7.6
123.08058	1.7
123.11672	1.7
125.09608	2.0
129.06963	2.6
131.08554	12.0
133.06496	1.0
133.10109	31.4
135.08023	3.8
135.11694	3.7
137.09599	1.1
141.06911	1.3
143.08553	2.0
145.10104	16.2
146.42776	0.6
147.08026	1.1
147.11667	23.4
148.08804	0.6
149.09593	8.4
149.13254	0.9
151.11072	1.0
153.09007	0.7
153.12663	0.6
155.08514	1.4
157.10069	2.9
159.08026	1.0
159.11674	9.7
161.09583	1.0
161.13245	7.2
163.11183	3.9
165.09067	0.7
169.10153	1.6
171.11707	2.8
173.11864	1.2
173.13252	3.9
175.11179	2.1
175.14772	0.8
177.12770	1.2
183.11674	2.7
185.13254	1.0
187.14804	1.3
191.14220	1.0
197.13190	1.2
201.12688	1.2
211.14677	0.9
215.17993	0.9
217.15732	1.0
229.19530	3.1
233.18971	0.9
239.17850	4.8
247.20561	2.1
257.18988	10.6
267.71100	0.8
270.41550	0.6
275.20029	100.0
275.27701	3.2
276.20447	3.0
291.20093	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.01337	1.1
50.87427	1.4
53.03936	2.6
53.13690	1.0
55.01865	8.3
55.05504	18.3
65.03924	1.8
67.05493	20.3
69.03407	1.2
69.07062	12.4
69.18071	1.0
69.45456	13.1
71.04989	2.1
74.34383	1.0
79.05485	25.5
81.03432	1.6
81.07043	36.6
83.04959	2.9
83.08604	4.1
91.05467	56.5
93.07029	21.8
95.04951	4.7
95.08585	18.6
97.06532	9.9
97.10154	3.2
98.20718	1.9
98.49567	1.1
103.05463	1.5
105.07014	100.0
106.07341	1.5
107.04961	7.2
107.08578	15.1
109.06540	2.4
109.10129	4.2
117.07005	10.5
119.08564	44.3
121.06475	2.1
121.10101	6.8
123.08012	1.4
123.11676	2.2
125.09589	1.7
129.07030	2.9
131.08543	19.5
133.10115	61.3
134.10451	1.3
135.08057	2.9
135.11678	3.1
137.09550	1.7
141.06963	1.7
143.08543	2.1
145.10098	18.0
147.11674	23.2
149.09627	3.7
149.13228	1.6
155.08592	1.8
157.10159	2.6
159.11679	6.8
161.09627	2.4
161.13245	4.8
163.11153	3.4
165.09140	2.0
171.11618	3.2
173.13240	3.7
179.14415	1.3
183.11673	1.8
195.90843	1.2
197.13315	1.2
215.17731	1.3
219.13956	1.5
229.19533	2.9
239.17909	3.2
247.20512	2.9
247.26498	1.2
257.19064	6.9
275.20026	91.2
275.27881	2.4
276.20493	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2001
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.33923	1.2
53.03928	1.5
55.01830	1.3
55.05486	5.3
57.07046	1.8
67.05492	6.9
69.07051	12.6
69.40176	1.2
71.04974	2.9
71.56536	1.3
72.10760	1.1
72.25771	1.2
79.05478	6.0
80.84711	1.2
81.07040	9.7
83.04945	2.4
83.08576	3.0
83.35725	1.2
85.06535	1.7
89.50681	1.2
91.05468	8.7
93.07029	12.1
95.04918	2.6
95.08594	10.4
97.06506	1.4
97.84740	1.2
104.32784	1.2
105.07008	16.2
107.04903	1.9
107.08589	10.5
109.06486	3.7
109.10111	4.9
111.08055	22.5
113.09612	3.7
117.06996	4.5
119.08562	11.5
121.06496	5.3
121.10097	9.1
122.03314	1.2
122.07261	4.6
123.08051	16.1
123.11678	3.2
131.08530	10.6
133.10097	11.6
135.08017	24.2
135.11655	3.3
137.87668	1.3
139.11133	1.8
143.08501	1.4
145.10100	7.3
147.08014	1.5
147.11653	8.5
148.08781	1.7
149.09622	4.2
149.13205	1.6
155.08501	1.3
156.09346	3.8
157.10104	3.7
159.11676	6.5
161.09523	2.9
161.13208	1.9
163.11143	4.1
163.14806	1.4
165.12666	1.9
171.11649	13.1
173.13213	6.6
175.14763	2.4
176.11897	6.9
177.12755	1.7
179.32428	1.4
181.12195	17.7
183.11603	1.8
189.12697	1.8
189.16403	1.4
191.14272	100.0
192.14594	3.3
197.13275	1.7
199.14781	5.0
201.12770	1.6
215.14403	1.3
215.17903	2.6
217.15834	5.3
229.19429	2.1
229.33934	1.2
239.17935	1.6
257.19046	8.2
275.20020	51.9
275.27750	4.0
276.20349	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03931	2.3
55.01865	15.1
55.05234	1.0
55.05503	19.4
57.03420	2.2
57.07065	1.4
59.04984	1.4
61.08112	0.6
65.03926	1.6
67.05495	25.0
69.03398	0.8
69.07057	15.1
69.50987	6.2
71.04966	2.1
74.64029	0.6
77.03891	1.2
79.05483	23.5
81.03393	2.3
81.07043	44.1
83.04964	2.9
83.08604	6.5
85.06539	1.0
91.05466	61.2
93.07029	24.2
95.01327	1.4
95.04959	5.9
95.08586	16.9
97.06518	20.9
97.10156	2.7
98.20631	1.3
103.05460	2.0
105.07014	100.0
106.07329	1.2
107.04932	6.9
107.08574	12.3
109.06528	3.6
109.10123	6.3
111.08054	1.2
115.05423	1.8
117.06995	13.7
118.07778	1.0
119.08562	46.1
121.06506	2.5
121.10134	6.2
123.04462	1.1
123.08036	1.8
123.11657	1.4
125.09612	1.5
129.06978	2.2
131.08549	20.4
133.10110	62.0
134.10399	1.1
135.08018	2.4
135.11659	3.7
137.09605	2.3
139.07550	1.2
141.06918	0.8
143.08522	3.2
145.10103	15.8
147.11661	23.2
149.09610	5.5
149.13197	1.3
151.11154	2.8
155.08508	0.9
157.10092	2.6
159.11652	10.3
161.09630	0.9
161.13226	3.4
163.11200	3.1
165.09094	2.3
169.10164	1.2
171.11679	3.5
171.54553	0.7
173.13242	4.0
175.11191	1.5
175.14751	1.0
177.12706	1.2
179.10573	0.7
179.14302	2.0
183.11632	2.0
185.13240	1.5
189.12631	0.8
197.13232	2.1
203.14406	1.0
205.12117	1.0
208.92609	0.7
215.14267	0.8
215.17924	1.2
219.13850	0.9
219.17400	3.0
229.19414	2.2
233.15392	0.8
239.17891	2.2
247.16713	0.9
247.20543	3.1
257.18991	8.5
275.20020	84.5
276.20352	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.159
Annotation	Annotinine
Peak:m/z	Relative Intensity
53.26853	0.5
55.05492	1.9
56.05028	1.3
56.96534	0.6
57.03424	9.0
57.07055	1.7
58.77485	0.4
64.52974	0.4
65.03930	1.0
67.05496	5.3
68.73969	0.4
70.06564	1.4
71.70282	0.6
79.05476	1.1
81.03399	0.8
81.07028	1.3
82.06587	1.5
83.04984	1.1
84.08126	0.7
85.02909	0.8
85.06525	1.1
86.06122	0.5
86.09703	0.6
87.04453	0.8
91.05472	3.1
93.07030	1.1
94.58491	0.6
95.08584	0.7
98.97565	0.8
100.07599	25.3
104.95307	0.5
105.07008	8.6
106.06532	0.9
107.04937	0.5
107.08572	2.3
110.06004	0.5
117.06974	0.5
120.08081	2.1
124.07566	1.0
131.08530	1.6
132.08055	5.8
133.08858	6.9
133.10101	23.7
134.09586	1.0
135.08011	0.7
145.10143	0.8
146.09613	3.8
147.10367	3.3
148.11180	80.1
149.11552	1.2
160.03963	0.7
162.12741	2.1
170.90186	0.5
173.09547	0.6
174.12794	0.9
175.13512	0.6
184.11311	0.5
185.11998	0.7
188.07104	0.6
188.14278	1.2
190.12212	3.4
195.07729	1.6
202.15884	1.5
204.08257	1.4
204.17412	4.7
214.15860	2.2
215.14262	0.9
216.13841	1.2
217.14542	4.8
230.15457	1.4
232.16924	70.8
233.17220	1.4
248.16449	1.7
258.07779	0.4
259.10959	0.7
276.15903	100.0
277.16098	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.3
55.01851	4.0
56.96558	33.5
57.03417	3.8
58.24354	2.8
60.00064	3.3
61.02903	4.3
66.01138	2.8
67.20647	3.2
69.03416	10.0
70.98093	5.2
71.04961	3.3
71.14741	5.2
71.15082	5.5
78.05997	3.0
79.18938	2.9
81.03410	10.1
82.99393	2.9
82.99838	3.2
84.08136	3.0
84.96008	8.8
85.02882	11.6
87.04477	6.1
89.89377	3.1
95.04922	3.4
97.02865	14.4
98.97569	70.7
101.00868	30.1
107.04928	3.1
109.02853	4.3
109.06552	3.1
110.97520	18.3
111.04428	5.9
112.99122	12.4
113.00845	3.4
115.02402	4.5
116.07114	3.3
116.98606	36.3
119.01084	4.8
119.01908	70.7
121.06461	3.6
127.03902	6.1
128.98596	27.2
131.00145	12.7
131.01863	18.9
133.01729	5.1
133.03441	12.9
134.99631	6.8
135.04353	4.3
137.02869	5.3
140.98451	3.2
143.00125	4.3
143.01871	28.5
145.01689	5.0
145.03439	13.9
145.04935	3.3
146.99625	13.7
149.01224	7.2
155.01910	17.3
157.03479	15.6
158.99638	19.3
159.05016	4.5
161.02937	100.0
165.00682	7.4
170.99660	9.1
171.05022	2.9
173.02914	30.2
175.02789	6.6
175.04512	19.2
177.00662	16.6
177.04224	3.4
177.06023	3.7
178.04945	26.0
179.02036	3.3
185.02870	19.1
187.02797	3.9
187.04480	8.1
189.00650	9.0
189.06012	5.0
191.03998	7.4
193.03821	4.9
197.02942	10.2
201.00726	3.4
203.03979	7.5
205.05463	4.2
211.04565	4.7
215.03918	5.7
217.03728	4.9
217.05539	4.3
219.01720	27.3
221.05081	5.4
223.04724	3.9
235.01118	3.4
237.02802	45.1
245.05045	36.3
255.03877	4.1
259.06635	7.1
259.74078	3.0
263.06070	4.3
277.03552	19.3
277.07751	71.9
277.12427	3.6
295.07022	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	277.0317
Annotation	Unknow
Peak:m/z	Relative Intensity
62.19586	15.3
68.97531	13.9
69.77081	24.7
69.77500	97.6
77.77325	16.0
98.21362	23.2
101.00861	27.6
119.01877	80.5
131.01886	41.3
131.68309	14.3
137.02887	16.3
143.01869	41.2
145.03525	26.3
155.01894	31.4
161.02948	98.6
165.37631	15.5
173.02956	66.8
175.04512	20.3
213.63159	15.9
245.05049	30.3
249.27501	16.1
256.53171	16.6
277.03299	100.0
277.07352	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25177	11.6
56.96545	19.2
61.74897	12.0
67.66519	11.7
70.82066	35.0
83.53142	10.6
85.02898	13.6
101.00864	42.3
107.59889	10.2
115.02364	15.2
119.01901	98.3
119.34508	11.0
126.65034	11.3
131.01883	46.3
143.01884	45.8
145.03474	20.2
149.02965	16.3
155.01863	42.8
157.03482	28.6
161.02930	100.0
173.02969	96.5
175.04517	30.1
185.02975	17.5
187.04449	12.6
197.03104	13.6
203.03941	27.3
277.03329	65.0
277.07388	79.4
282.41394	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	277.2158
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03931	3.7
55.01851	3.4
55.05499	15.7
57.07061	5.8
61.49848	1.2
65.03928	1.4
67.05497	40.8
69.06728	1.6
69.07060	16.3
69.56355	5.1
69.56787	5.4
71.04972	3.4
71.08616	2.9
79.05481	67.0
81.03391	1.6
81.07044	39.8
83.04964	3.7
83.08603	9.4
85.06517	4.1
91.05461	33.5
93.07030	100.0
93.48509	1.1
95.04955	10.1
95.08592	30.0
97.06503	3.3
97.10139	3.7
99.08071	2.8
105.07017	17.0
107.04926	1.8
107.08575	47.1
107.20325	1.1
109.06502	3.8
109.10133	15.5
111.08061	3.8
112.25247	1.1
117.07003	3.1
119.08550	12.8
121.06511	2.2
121.10124	44.8
123.08024	2.7
123.11685	4.4
125.09629	1.9
129.06967	1.7
131.08528	5.4
133.10123	16.1
135.08034	2.2
135.11673	49.1
137.09579	3.0
143.08539	3.7
145.10123	5.2
147.08064	1.8
147.11685	9.6
149.09612	2.9
149.13231	22.8
151.11108	3.1
157.10141	3.6
159.11667	7.0
161.09711	1.2
161.13246	8.2
163.11137	3.0
163.14774	4.2
165.09087	1.3
171.11620	4.1
173.13240	3.0
175.11195	1.4
175.14853	2.0
177.12717	2.8
179.10646	1.8
185.13220	3.0
187.14870	1.7
189.12692	2.2
193.12294	2.3
195.13815	1.7
199.14783	2.3
207.13766	2.1
209.15288	1.4
213.16357	2.7
217.19507	1.4
221.15373	3.7
231.17424	2.5
231.20987	1.6
235.16917	7.8
241.19473	2.9
249.22147	1.5
259.20447	5.8
277.18097	6.8
277.21588	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.0
51.12387	0.8
53.03922	4.2
55.01860	1.4
55.05503	16.2
56.14091	1.1
57.07066	2.3
59.55474	1.1
60.09561	0.9
65.03925	1.7
67.05138	1.6
67.05495	32.3
68.56584	0.9
69.07055	14.6
69.36615	2.7
69.37040	8.8
71.04977	3.2
71.25190	0.8
75.81185	1.1
76.13046	0.9
77.03884	1.8
79.05481	75.4
81.07043	37.0
81.07425	0.6
81.07531	0.9
83.04945	1.4
83.08608	7.6
85.06519	1.6
86.37005	1.0
91.05464	24.8
93.07030	100.0
95.04956	6.7
95.08589	25.2
97.06535	1.5
97.10143	3.8
105.07015	14.0
107.05795	0.9
107.08576	51.3
108.44182	1.0
109.06509	1.6
109.10143	11.5
111.08073	0.9
117.06995	2.2
119.08558	10.5
121.10126	41.0
123.08033	1.2
123.11685	3.7
124.92343	0.9
127.07601	1.3
129.74747	1.0
131.08531	3.5
131.83948	0.9
133.10107	13.6
135.11676	52.9
136.12003	1.4
136.25691	1.0
143.08542	1.0
145.10107	3.2
147.11641	6.4
149.09633	2.4
149.13222	22.4
157.10120	1.8
159.11644	1.8
161.13232	3.1
163.14761	5.7
167.49411	0.9
169.24693	0.9
171.11665	2.4
173.13330	1.8
175.11081	1.5
175.14818	1.7
181.12151	1.2
185.13179	1.7
189.12694	1.1
195.13759	1.3
199.14792	1.4
207.13766	1.8
213.16385	3.7
217.19576	1.3
221.15324	2.9
235.16901	3.5
241.19519	1.1
259.20453	3.1
277.21594	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03944	5.5
53.04131	1.1
55.05499	15.9
57.07055	2.7
59.46839	0.8
60.24788	0.9
67.05145	1.6
67.05493	28.0
68.94438	1.0
69.07056	12.8
69.45849	9.2
71.04961	2.3
73.25940	0.9
77.03889	1.4
79.05479	73.8
81.07042	33.6
83.04959	1.6
83.08601	6.7
85.06476	1.8
91.05462	27.5
93.07028	100.0
95.04951	5.9
95.08583	23.0
97.06498	1.0
97.10141	3.9
97.90915	1.0
105.04491	1.4
105.06998	12.1
107.08577	49.2
109.06507	1.3
109.10140	10.6
111.08072	1.0
117.06990	3.8
119.08553	10.9
121.06409	1.0
121.10121	44.3
123.08037	1.5
123.11678	2.5
129.07005	2.2
131.08537	4.1
133.10098	11.4
135.08032	1.2
135.11671	42.2
141.28773	0.9
143.08539	2.1
145.10083	3.8
147.11676	6.3
149.09596	2.3
149.13237	20.0
153.96947	1.2
157.10114	1.2
159.11684	2.1
161.13191	4.1
163.11032	1.3
163.14809	5.1
165.75438	0.9
171.11661	1.9
173.13274	1.8
175.14857	2.4
177.16335	1.2
181.12117	1.2
185.13185	1.7
189.12672	1.0
195.13766	1.2
199.14775	2.2
203.14326	1.2
207.13802	1.2
221.15396	4.4
222.85068	1.1
235.16869	4.1
241.19562	1.4
259.20453	2.6
277.21576	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03948	4.8
55.01853	2.2
55.05503	19.9
57.03426	2.3
57.07053	3.6
59.05001	0.8
65.03921	3.2
67.05496	44.0
67.12360	1.0
69.07057	16.2
69.68501	7.7
71.04963	2.0
71.08245	1.4
71.08619	22.0
73.06541	1.4
74.22912	0.9
77.03887	1.6
79.05482	70.0
81.03409	5.9
81.07043	54.9
81.07415	0.7
81.07541	1.2
82.07385	0.9
83.04957	4.6
83.08600	7.9
85.06519	2.7
91.04918	1.9
91.05466	30.7
93.07030	100.0
95.04952	11.6
95.08589	35.1
97.06538	5.1
97.10144	4.1
98.20698	1.9
99.08080	16.5
105.04510	1.3
105.07014	20.9
107.04921	4.2
107.08576	54.4
109.06487	3.7
109.10146	10.6
111.08039	1.8
113.09631	1.2
117.06982	5.4
119.08569	14.3
121.10129	44.9
123.08044	2.7
123.11691	2.7
129.07014	0.9
131.08556	4.7
133.10112	10.8
135.08046	1.7
135.11674	55.4
137.09598	3.1
141.09058	3.0
143.08545	2.5
145.10123	5.6
147.11644	6.5
149.02344	2.0
149.13245	18.9
151.11179	7.3
157.10101	2.7
159.11682	3.8
161.13231	8.1
163.11154	4.7
163.14777	3.8
165.12721	1.9
167.10660	3.7
171.11691	2.5
173.13216	1.8
175.14783	2.2
177.12735	3.2
179.10614	1.3
179.14290	24.4
181.12181	1.2
185.13229	3.2
189.12720	2.1
195.13731	1.7
199.14844	1.6
207.13658	1.3
213.16324	1.2
217.19458	1.3
221.15323	4.0
235.16875	2.6
241.19452	2.7
248.73402	0.9
259.17130	0.8
259.18018	1.0
259.20477	6.8
277.21588	79.8
278.21906	1.8
281.63193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.41525	1.6
53.03941	17.4
54.11684	1.7
55.01864	9.7
55.05503	32.1
57.03424	3.3
57.07067	42.7
65.03928	2.2
67.05495	67.1
69.07058	35.6
70.21551	7.8
71.04966	5.4
71.08625	12.5
79.05482	77.9
81.02941	2.3
81.03412	42.6
81.07048	64.7
83.04965	12.0
83.08611	14.1
85.06514	5.2
85.10184	2.1
91.05467	44.7
93.07034	100.0
95.04395	3.3
95.04959	44.6
95.08589	33.6
97.06506	5.5
97.10155	5.7
98.12090	1.9
99.08101	9.4
105.07017	36.9
107.04937	1.7
107.08578	50.2
109.06511	8.5
109.10135	20.6
111.08056	5.1
117.07010	5.5
119.08568	23.6
121.06502	4.3
121.10138	33.1
123.08055	4.8
123.11684	7.3
125.09618	5.9
128.06169	2.8
129.06973	6.3
131.08540	9.8
133.10115	20.4
135.08035	5.6
135.11681	32.9
143.08521	6.0
145.10106	4.8
147.07919	2.7
147.11656	18.3
149.09583	4.5
149.13223	16.4
151.11154	26.6
153.09064	1.8
153.12708	1.8
157.10103	4.2
159.11665	4.1
161.09636	2.7
161.13269	13.7
163.11188	2.9
163.14793	6.2
165.12738	10.5
171.11659	7.2
173.13206	3.3
175.11211	4.4
175.14803	6.1
177.12726	3.7
177.16492	2.0
179.10678	22.9
179.14284	6.5
181.12309	3.9
185.13252	3.7
189.12738	3.5
193.12204	2.4
199.14783	2.8
207.13762	3.6
217.15782	2.6
217.19525	3.3
219.13771	3.2
220.36647	1.5
221.15312	4.4
231.17389	2.5
231.21030	8.1
235.16887	77.5
241.19463	5.0
249.22249	4.3
259.20627	11.2
277.15607	1.9
277.18002	62.0
277.21597	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03939	4.6
55.01848	3.1
55.05501	20.6
57.03426	1.2
57.07066	4.5
58.57327	0.7
65.03901	1.5
67.05494	42.1
69.07058	15.8
69.61999	0.7
69.62319	7.1
71.04992	4.2
71.08617	22.9
77.03928	0.6
79.05482	66.2
81.03394	4.8
81.07044	52.8
83.04980	5.2
83.08615	8.9
85.06521	2.8
91.05470	32.1
93.07030	100.0
95.04958	11.1
95.08592	35.5
97.06509	4.7
97.10176	4.1
99.08075	13.3
105.04513	1.0
105.07017	17.3
107.04926	3.4
107.08578	57.2
109.06477	3.1
109.10139	9.2
111.08085	1.8
113.05971	1.0
113.09595	1.1
117.06992	4.2
119.08566	13.6
121.06470	1.3
121.10131	45.7
123.08028	3.0
123.11689	2.3
125.09582	0.9
127.11166	0.9
129.06987	2.6
131.08562	6.2
133.10101	9.4
135.08014	0.9
135.11671	55.1
136.11922	1.0
137.09601	3.5
141.09087	2.2
143.08530	2.2
145.10141	4.7
147.11673	5.8
149.09552	1.9
149.13226	14.5
151.11153	9.5
153.12737	1.0
157.10112	2.2
159.11665	3.7
161.09515	0.9
161.13223	8.8
163.11176	3.7
163.14810	4.8
165.12686	1.7
167.10652	2.6
171.11629	2.5
173.13333	1.6
175.11218	1.4
175.14719	1.8
177.12764	3.0
179.10628	1.2
179.14285	22.9
181.12146	1.5
185.13211	2.1
189.12624	1.0
195.13771	2.0
199.14810	1.3
207.13727	1.7
217.19388	0.9
221.15335	4.5
231.20929	0.9
235.16864	4.2
241.19427	2.0
259.20593	4.5
277.18286	2.6
277.21582	72.8
278.21957	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	277.2158
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03936	5.7
55.01858	1.4
55.05500	20.6
57.03408	1.3
57.07053	3.1
59.04981	2.0
62.00378	0.9
64.54839	0.9
65.03924	1.8
67.05139	1.8
67.05492	32.5
69.03397	0.9
69.07056	18.1
69.56808	2.4
69.57217	5.6
71.04978	2.0
73.06522	0.9
77.03902	1.1
79.05478	79.2
81.07040	39.0
83.04956	1.6
83.08619	8.2
84.59675	0.9
85.06518	3.0
91.05462	28.6
93.07027	100.0
95.04952	9.6
95.08002	1.5
95.08588	27.1
97.06518	8.0
97.10134	3.6
99.08085	0.9
105.04478	1.2
105.07007	16.1
107.08574	48.4
109.06495	3.2
109.10139	12.0
111.08078	1.9
117.06980	3.2
119.08564	12.2
121.10118	45.9
122.10449	0.9
123.08047	2.1
123.11674	3.9
125.09619	1.3
128.06207	1.1
129.06987	1.9
130.67581	0.9
131.08531	5.3
133.10104	14.4
135.04353	1.4
135.08000	1.2
135.11668	45.1
143.08551	2.1
145.02824	0.9
145.10097	4.1
145.49257	1.1
147.11679	8.3
149.09595	1.8
149.13228	23.0
153.09094	1.1
157.10069	1.9
159.11653	3.9
161.02263	1.5
161.09564	1.3
161.13274	6.7
163.03917	3.8
163.11116	2.1
163.14766	7.1
167.10620	1.1
171.11618	2.7
172.74710	0.9
173.02339	1.4
173.13268	1.8
175.11227	1.5
175.14810	2.0
177.12709	1.6
181.12201	1.0
185.13197	3.3
189.12756	1.7
191.03336	1.2
195.13797	2.2
199.14836	1.8
203.14403	1.1
207.13672	1.9
213.16405	1.4
215.07037	3.4
217.15909	1.4
221.15373	4.8
235.16891	4.1
241.19472	1.5
255.14415	1.1
259.09610	3.2
259.20633	4.6
277.10760	1.1
277.18314	2.5
277.21576	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	277.2155
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03928	3.7
55.05505	13.9
57.07067	2.6
61.83881	1.8
67.05488	32.3
69.07053	16.4
69.57131	18.7
77.03907	2.2
79.05480	74.7
81.07043	35.3
81.60310	1.8
83.08605	5.6
86.01906	2.0
86.11928	2.0
91.05461	32.5
93.07030	100.0
95.04935	6.6
95.08586	25.9
97.06495	2.9
97.10157	5.3
104.12579	2.1
105.07008	18.4
107.08575	50.3
109.06509	2.8
109.10140	11.9
117.07040	2.3
119.08532	9.3
121.10128	42.6
123.11749	3.0
129.06967	2.5
131.08556	3.9
133.10141	11.5
135.11664	43.2
145.10040	3.2
147.11711	4.8
149.13232	19.5
153.78568	2.1
157.10167	2.6
159.11626	4.9
161.13234	4.3
163.14793	3.0
167.58440	2.1
171.11743	3.2
195.13890	2.4
207.13725	1.9
221.15254	3.3
234.97069	1.8
259.20663	3.9
277.21597	58.8
277.28140	11.0
278.22055	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2157
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03936	5.2
55.01845	1.4
55.05503	16.5
57.07059	5.3
57.49121	1.1
67.05498	35.3
69.07064	17.0
69.80669	8.7
71.04961	2.0
79.05486	75.8
81.07049	37.4
81.07533	1.6
83.04967	2.2
83.08599	8.0
85.06517	2.6
91.05473	25.7
93.07035	100.0
95.04973	9.5
95.08599	24.8
97.06527	7.2
97.10146	4.0
105.07014	16.9
107.04943	1.4
107.08580	51.6
109.06521	3.7
109.10123	12.4
116.98650	1.3
117.06980	5.3
119.08591	10.6
120.88635	1.2
121.06458	1.5
121.10138	39.1
123.11724	2.7
125.09666	1.6
126.33766	1.2
129.07021	3.4
131.08546	3.5
133.10127	11.4
135.08022	1.4
135.11674	43.6
137.05911	1.9
137.09645	1.4
137.54922	1.2
139.11107	1.4
143.08595	1.9
144.48090	1.2
145.10127	3.9
147.11665	7.5
149.09612	2.0
149.13248	22.9
149.38177	1.1
159.11682	2.5
161.13225	5.8
163.03871	4.3
163.11151	2.0
163.14844	5.9
167.08565	1.4
167.10658	2.0
171.11693	3.1
173.02306	2.3
173.13261	3.5
175.07516	3.0
175.11115	1.7
175.14787	3.3
179.10596	1.9
181.12184	2.2
185.13226	2.3
195.13811	2.1
207.13792	2.5
213.05536	1.4
215.07092	2.3
221.15331	3.1
235.16887	4.3
241.19559	1.5
259.09622	2.6
259.20639	4.7
277.18552	2.2
277.21622	65.1
277.28241	20.4
293.67471	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.3
55.01843	1.0
55.05276	0.7
55.05502	9.4
56.66901	0.6
57.03405	0.7
57.07067	46.4
62.87153	0.5
63.66551	0.5
65.03901	0.6
67.05141	0.8
67.05497	15.0
69.07060	8.5
69.49269	1.5
69.49673	5.0
71.04978	1.4
71.08607	0.9
79.05482	37.5
81.03410	0.7
81.07047	17.7
83.04961	0.9
83.08614	4.0
85.06516	1.3
91.04928	1.0
91.05466	12.9
93.07030	48.7
94.07359	0.9
95.04956	4.4
95.08591	11.9
96.05307	0.7
97.06500	1.2
97.10141	1.3
98.20600	1.0
99.08041	1.4
105.04540	0.7
105.07018	7.6
107.04955	0.7
107.08575	24.2
108.08956	0.8
109.06507	1.5
109.10154	4.8
117.06970	2.2
119.08556	7.6
120.08849	1.0
121.06490	0.7
121.09244	1.2
121.10130	20.4
123.04397	3.3
123.08030	0.9
123.11671	1.8
123.15784	0.6
129.06998	1.3
131.08527	2.9
133.10110	5.5
134.10445	0.8
134.77750	0.5
135.08022	2.0
135.10641	1.1
135.11668	20.1
137.09566	1.1
139.11163	0.7
143.08513	1.9
145.10100	1.5
147.11699	2.9
149.09599	1.0
149.13237	7.8
157.10107	1.7
159.11722	2.9
161.09583	1.1
161.13243	1.8
162.44978	0.7
163.03877	1.1
163.07539	2.0
163.11198	1.0
163.14781	2.4
167.10669	0.6
171.11681	1.6
173.13235	1.2
174.13683	0.9
175.13731	1.0
177.12712	1.9
179.10648	31.4
180.21455	0.6
181.12177	0.8
185.13243	1.2
189.12733	1.2
195.13846	0.6
199.14906	0.8
201.12523	0.6
213.16318	0.8
217.15854	2.5
219.13799	4.7
221.15276	1.7
235.16891	100.0
236.17310	3.1
241.19319	0.7
259.20471	3.0
277.17957	77.5
277.21512	28.3
278.18210	2.2
298.64883	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98663	0.9
55.01877	1.3
55.05494	3.1
56.05018	2.1
56.96556	23.0
57.03424	2.9
57.07060	5.6
60.95826	1.0
61.02911	3.1
64.09319	0.7
65.03935	1.4
67.05489	5.0
69.03420	4.6
70.03769	0.8
70.06590	1.8
70.76221	2.8
70.76598	1.1
71.04989	1.2
71.95272	0.9
72.08167	0.9
73.02919	3.5
74.02450	0.8
78.73110	0.6
79.05445	0.9
81.03407	4.3
81.07043	3.2
83.04967	1.1
84.08131	60.3
84.96014	3.0
85.02888	11.6
85.06524	2.4
86.09692	3.1
87.04431	1.9
91.05461	1.1
93.07005	1.0
95.04953	1.4
95.08598	1.3
97.02867	6.9
97.25898	0.7
98.97567	100.0
99.04448	1.1
101.00853	1.2
102.05566	0.8
103.00607	0.8
105.07005	1.1
109.02863	1.4
109.04931	0.8
110.97552	19.0
112.99113	1.1
115.02420	1.8
116.07098	1.0
116.98602	74.9
118.02642	0.9
119.01910	4.6
119.04961	1.3
120.01985	1.0
121.01643	2.6
121.02843	1.9
121.06515	1.0
123.04425	0.9
127.03889	2.0
128.02385	0.8
128.98587	28.4
130.04984	3.3
130.08617	9.4
131.00169	2.2
131.01881	2.2
132.08066	7.8
133.01660	2.0
133.03426	2.9
134.05948	1.0
134.99637	35.0
135.80200	0.7
136.07565	1.8
139.02727	1.1
139.03902	1.7
140.00182	1.4
143.00154	3.9
143.01923	0.9
144.98164	0.7
145.01689	1.7
145.03456	1.8
145.05011	1.1
146.99632	26.4
147.03223	1.5
149.01247	1.7
149.02309	28.5
149.05956	1.6
150.09122	38.2
151.02663	1.1
153.00691	5.1
153.05765	2.1
157.01665	1.2
157.03447	1.0
158.01268	2.8
158.99628	32.9
159.03215	1.9
159.04890	1.0
160.06555	1.1
161.01218	3.3
161.02895	2.8
161.04453	1.5
161.06619	1.3
162.06288	1.9
162.99284	0.8
163.02716	5.4
163.04459	1.1
165.00717	3.7
168.55217	2.9
169.04387	1.5
170.05159	9.9
170.99641	11.5
173.03061	1.1
174.04381	1.5
175.02771	3.0
175.04337	1.1
177.00688	73.2
177.03966	3.9
181.55943	0.9
182.99673	1.1
184.04994	1.0
187.02774	1.3
189.00693	31.4
190.98598	1.3
195.01692	7.3
195.05353	1.0
200.02261	4.2
201.00742	1.9
203.07687	1.5
205.03763	1.2
207.01743	19.4
215.07698	1.2
219.01692	6.0
219.05205	1.4
221.04984	1.4
225.02769	0.9
230.03214	1.3
234.14856	7.4
237.00739	0.7
237.02774	16.1
249.02719	1.4
255.03879	11.9
260.04355	1.2
261.08221	1.2
262.98444	0.9
279.03848	9.2
279.07178	2.5
279.13553	3.0
279.16989	40.2
288.05255	1.2
293.10815	0.9
297.04816	3.8
297.37234	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01863	1.8
55.05240	1.7
55.05500	34.6
57.07063	14.3
58.56855	1.2
58.99575	14.6
59.90652	1.4
60.06124	1.3
63.97342	1.3
65.03929	25.9
67.05480	9.7
69.03413	4.3
70.06567	2.5
76.02201	5.2
76.03979	2.8
79.05486	6.6
81.03390	3.3
81.07059	8.7
83.04956	5.3
83.08601	24.1
85.02875	3.7
86.99031	11.7
88.02184	3.7
89.05996	2.3
91.05464	8.9
93.03391	25.8
93.07022	6.5
95.04947	17.3
95.08588	59.0
97.02859	2.2
97.06475	1.9
98.97543	2.1
103.05439	1.7
105.07005	6.2
107.04930	4.6
107.08577	4.5
109.02850	1.9
109.06470	1.6
111.04420	18.6
112.13046	1.5
113.02176	1.3
116.00831	1.8
116.01658	47.0
117.06986	6.2
119.08559	26.6
121.02850	47.6
121.06477	4.8
121.10126	1.7
123.04375	1.9
123.08037	7.7
123.11662	1.7
128.06152	2.9
129.06993	5.3
131.08536	5.1
134.99608	1.6
135.08076	3.2
139.03874	40.7
139.07457	1.4
141.06941	2.0
143.08557	3.6
144.01111	17.3
145.10104	3.6
147.07999	7.1
147.11655	1.9
149.02319	100.0
155.08528	2.3
156.09299	8.2
159.08275	5.5
159.11661	5.1
161.09512	2.6
162.02176	83.9
167.03349	2.0
169.10042	2.8
171.11647	5.8
173.09567	3.5
173.13266	1.8
175.07498	20.1
187.11171	4.1
189.12709	1.9
193.08580	14.1
197.09595	4.0
199.11154	14.6
205.12323	3.7
215.10652	10.6
217.12161	5.3
225.95572	1.5
229.26352	1.3
233.11688	10.3
235.13156	1.7
243.10156	3.8
261.11282	2.1
261.15005	1.7
262.11087	17.0
279.09015	5.6
279.12253	25.7
279.23129	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38886	0.8
55.01858	1.4
55.05502	41.9
57.07061	6.8
58.10294	0.7
58.99295	1.5
58.99577	19.7
61.01126	1.0
65.03925	1.6
67.05498	2.8
69.03414	1.5
69.07050	1.1
71.61852	1.3
72.08167	0.9
73.01115	1.9
73.92559	0.8
76.02213	7.8
76.03999	4.9
79.05481	0.8
81.07040	4.2
83.08604	33.0
84.08121	0.9
85.02912	1.1
86.09688	0.8
86.99043	16.2
88.02201	4.9
89.05996	0.9
91.05471	2.8
93.07026	1.3
95.04942	1.2
95.08588	2.1
101.09633	1.4
105.03360	0.7
105.07034	2.5
107.04945	1.7
107.08574	2.2
109.10149	0.8
111.04494	0.7
116.01660	63.7
119.08635	1.1
121.02863	3.4
128.98598	0.8
131.05008	0.9
134.99609	0.9
135.07979	1.0
138.32230	0.8
143.08536	0.8
144.01122	29.7
144.02255	1.5
145.06410	1.2
149.02315	57.3
151.35983	0.8
153.05409	1.0
159.08366	8.1
162.02174	100.0
165.63353	0.9
167.03366	1.0
172.27484	0.8
176.10829	1.4
244.10039	1.2
261.11920	0.9
262.11050	19.3
279.09473	1.2
279.13660	3.1
279.16751	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1701
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
52.85307	0.4
55.01862	0.4
55.05494	0.5
56.96540	0.9
57.03409	0.6
57.07070	3.4
67.05486	1.3
67.60561	0.4
69.03408	1.4
69.07059	0.9
70.01233	2.0
71.04977	0.8
79.05463	0.6
81.03397	0.8
81.07027	1.8
85.02916	0.7
86.09697	41.9
87.04492	0.4
87.10009	0.6
91.05460	2.2
92.85078	0.3
93.07024	3.3
95.04948	0.5
95.08611	0.7
97.02873	0.9
97.06535	0.5
98.21370	0.4
98.97535	1.9
103.05451	5.1
103.80427	0.3
105.07014	1.3
107.04948	0.7
107.08567	0.5
109.02863	0.5
109.06501	0.7
109.10163	0.7
116.24669	0.4
116.98597	1.6
117.07036	0.8
119.04928	0.4
119.08611	0.9
120.08089	100.0
121.02863	0.8
121.08414	1.5
121.10123	0.4
123.08009	0.6
131.08560	0.5
132.10202	2.1
133.06401	0.5
133.10130	0.6
135.08015	0.7
136.07573	0.9
137.66844	0.4
145.10123	0.5
147.04410	0.5
149.02322	20.9
149.09648	0.8
154.08612	1.0
158.99695	0.6
159.08035	0.7
160.93042	0.3
166.08641	3.7
177.00642	0.9
189.12747	0.7
207.06502	0.7
219.01775	0.5
233.16455	1.6
279.12863	0.4
279.17050	4.2
281.10458	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2314
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03947	0.7
55.01868	0.5
55.05505	8.2
57.03426	0.6
57.07063	2.4
58.90405	0.5
59.35284	0.4
65.03938	2.7
67.05495	100.0
69.07058	8.8
71.04973	0.9
71.08622	0.6
71.63096	0.6
79.05480	11.7
81.07043	93.5
82.07381	1.2
83.04977	1.2
83.08622	2.9
85.06541	1.2
91.05457	3.2
93.07034	8.2
95.08592	66.1
96.08953	0.9
97.06500	0.8
97.10146	1.9
99.26954	0.5
105.07035	2.0
107.08575	5.5
109.10142	38.1
111.08072	0.9
117.07023	1.2
119.08568	2.1
121.10126	4.7
123.08066	1.0
123.11689	22.9
131.08566	3.2
133.10117	1.8
135.11667	2.5
137.09569	0.7
137.13229	7.5
145.10110	1.6
147.11656	1.9
149.02310	4.7
149.09572	0.8
149.13246	1.5
151.11131	0.7
151.14790	2.1
159.11674	2.1
161.13271	1.3
163.11110	0.9
163.14786	1.1
165.16324	0.7
173.13263	2.6
177.12735	1.4
177.16382	0.7
181.12242	0.6
187.14818	1.5
191.14267	1.2
195.13831	1.1
203.89067	0.6
209.15324	2.0
219.20929	0.5
223.16895	1.8
237.18460	1.4
243.20940	1.0
261.22070	2.0
279.23157	23.5
280.23386	1.3
285.36554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2314
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03934	0.9
55.01851	0.9
55.05504	6.9
57.07050	3.2
57.87644	0.8
65.03925	2.8
67.05496	100.0
67.49223	0.8
68.05830	0.8
69.07059	8.8
69.77190	3.7
69.77596	2.1
70.39343	0.7
71.04984	1.2
78.16852	0.8
79.05482	12.2
81.07046	97.1
83.04948	1.3
83.08591	4.7
85.06528	2.1
86.59972	0.8
91.05450	3.3
93.07047	11.2
95.04992	1.2
95.08595	76.0
97.06468	1.4
97.10155	2.0
105.07007	2.9
107.08589	8.9
109.06471	1.6
109.10150	23.9
115.07646	0.7
117.06968	1.3
119.08572	1.2
121.09377	0.8
121.10117	5.4
123.08042	1.7
123.11687	14.5
131.08592	4.4
133.10077	3.0
135.08008	1.4
135.11684	4.6
137.09576	1.7
137.13239	8.3
145.10101	2.8
147.11655	1.2
149.02319	8.3
149.09593	2.5
149.13254	4.1
151.14792	2.9
159.11662	3.3
161.13228	2.0
163.11188	1.6
163.14827	1.7
173.13206	5.9
174.58974	0.8
177.12776	2.9
181.12161	2.0
185.80957	0.9
187.14748	1.9
191.14217	2.3
195.13762	1.8
209.15320	4.0
210.17723	0.9
223.16917	2.7
243.21046	1.8
245.85561	0.9
261.22061	2.3
279.23190	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2314
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03933	2.0
55.05502	9.7
57.03432	1.3
57.07067	5.5
63.70371	0.5
65.03925	2.8
67.05495	99.2
68.05834	1.0
69.03384	0.6
69.07059	10.3
71.04977	1.8
71.08599	0.6
71.71587	0.9
79.05484	13.9
81.07045	100.0
82.07352	1.2
83.04965	1.1
83.08608	5.0
85.06544	1.4
91.05458	4.4
93.07029	12.2
95.04959	1.5
95.08593	80.9
96.08913	1.0
97.06503	1.8
97.10157	3.4
100.86654	0.5
101.05942	0.7
105.07011	3.7
107.08571	7.7
109.06492	1.5
109.10142	45.3
111.08064	1.2
111.11695	0.9
117.06992	1.9
119.08549	4.1
121.02850	1.2
121.06519	0.8
121.10129	6.9
123.08038	1.4
123.11691	24.8
124.12108	0.5
125.09657	0.8
127.07574	0.8
131.08546	4.5
133.10089	2.9
135.08029	1.7
135.11668	5.6
137.09584	1.2
137.13235	8.0
145.10078	3.4
147.11647	2.7
149.02321	24.7
149.09624	1.5
149.13222	2.9
150.02750	0.8
151.11162	1.1
151.14787	2.4
153.09134	0.6
159.11684	2.9
161.13188	2.5
163.11162	1.9
163.14822	2.1
165.12735	1.2
165.16400	0.9
167.03392	1.3
167.10670	0.9
173.13239	3.4
175.14880	0.6
177.12755	1.7
177.16370	0.7
179.14198	0.8
181.12225	1.7
187.14816	3.1
189.29956	0.5
191.14236	1.3
195.13770	2.6
201.16412	0.6
205.15797	0.8
209.13544	0.6
209.15280	2.7
209.71092	0.5
219.05682	0.8
219.21112	1.2
220.61853	0.5
223.16928	2.7
237.18498	0.9
243.21057	2.7
261.22061	4.2
279.09329	0.7
279.19839	2.2
279.23163	35.9
280.23615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2313
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03939	1.7
55.05503	9.0
57.03419	1.2
57.07067	6.6
65.03928	2.6
67.05494	100.0
69.07056	11.6
69.72706	2.7
69.73130	3.0
71.04971	1.4
75.42051	0.7
79.05478	14.3
81.07043	96.7
83.04977	1.5
83.08610	6.0
85.06554	1.4
91.05453	6.1
93.07030	14.8
93.07587	1.2
95.04971	1.5
95.08591	82.0
96.08917	1.0
97.06511	1.1
97.10162	1.7
102.08855	0.7
105.07015	3.7
107.08582	9.0
109.10139	45.2
111.08077	1.0
111.11677	1.2
117.07003	1.4
119.08551	5.0
121.02865	1.8
121.10131	9.0
123.08118	1.2
123.11694	25.5
127.07511	1.0
131.08569	4.9
133.10120	3.9
135.08043	1.7
135.11697	5.8
137.09572	1.4
137.13222	8.3
145.10124	2.7
147.11700	3.0
149.02315	36.9
149.09608	1.4
149.13261	3.2
151.11133	0.8
151.14832	2.5
153.09123	0.9
156.09215	0.7
158.03276	1.2
159.11694	2.5
161.13261	2.5
163.11195	2.4
163.14780	1.7
165.12747	1.5
167.03395	1.5
167.10745	1.2
173.13252	3.3
177.12772	2.0
177.16351	0.9
179.14230	1.2
181.12248	1.8
187.14836	3.1
191.14363	1.0
195.13777	2.9
209.13501	1.1
209.15353	3.3
223.16925	2.8
237.18448	1.4
243.21086	3.6
257.88123	0.8
261.22153	4.5
279.16397	1.4
279.19800	2.1
279.23178	34.6
280.23657	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36886	0.1
56.05029	0.8
57.07077	0.1
63.00168	0.1
65.03938	0.1
67.05479	0.3
68.75918	0.1
69.03425	0.1
74.06067	1.6
81.07031	0.2
84.04488	0.1
85.02899	0.2
90.70815	0.1
93.06994	0.1
94.04043	0.3
95.04942	0.1
95.08585	0.2
97.02826	0.1
98.97550	0.2
102.05518	1.0
105.07007	0.2
105.61897	0.1
107.08538	0.1
109.05152	0.2
113.08202	0.1
119.03529	4.6
119.08573	0.1
120.06559	5.9
131.04904	0.2
134.71884	0.2
136.06165	100.0
137.04565	3.8
137.06621	0.6
162.04085	54.5
163.04350	0.4
167.09047	0.1
181.04810	0.1
235.09332	0.1
263.09033	0.1
266.99979	0.3
281.09888	9.2
281.15445	0.6
282.10263	0.1
283.03149	0.1
299.05914	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1744
Annotation	(-)-Zafronic acid methyl ester
Peak:m/z	Relative Intensity
50.42580	3.2
52.29335	2.8
53.03937	5.9
55.01861	16.1
55.05500	27.8
57.03412	8.3
57.07045	5.0
61.02908	12.0
64.68741	2.8
65.03947	3.3
67.05494	33.3
68.99774	2.6
69.03415	25.6
69.07056	30.1
70.36295	14.0
71.01314	3.1
71.04976	11.3
73.02889	8.6
79.05480	32.6
81.03400	12.1
81.07046	58.7
83.04961	13.8
83.08581	10.2
85.02869	8.2
85.06543	16.4
91.05466	44.9
93.07034	55.6
95.04950	15.7
95.08595	40.5
97.02859	8.8
97.06508	11.2
97.57269	2.9
97.98786	3.0
98.97553	5.9
99.04414	8.2
99.08078	7.5
101.05994	3.9
103.03911	5.8
103.05399	3.4
105.06342	5.3
105.07018	78.6
107.04935	14.3
107.08578	45.0
109.02883	3.7
109.06486	13.3
109.10134	16.8
111.04446	6.9
111.08060	16.0
111.11738	4.8
113.05960	3.0
115.05448	4.1
117.05374	3.0
117.07019	16.4
118.31064	2.9
119.04915	5.1
119.08560	54.3
121.02749	3.9
121.06496	20.5
121.10134	28.1
123.04424	6.2
123.08039	9.9
123.11662	11.5
125.05966	6.1
125.09615	9.6
127.03876	6.6
127.07558	3.8
129.06981	11.5
130.07799	3.7
131.08571	30.3
132.24689	3.0
133.06465	12.3
133.10118	35.4
135.07993	17.3
135.11673	16.4
137.05951	22.5
137.09605	11.1
139.07529	4.2
142.07787	4.9
143.08534	21.1
144.09308	5.1
145.06418	10.3
145.10100	21.3
146.00339	2.9
147.08029	19.3
147.11662	48.5
149.05951	4.9
149.09599	25.2
149.13234	22.6
151.07495	9.8
151.11124	5.6
153.12709	4.7
155.08519	6.2
156.09392	3.3
157.10075	13.8
159.07985	8.4
159.11697	31.9
159.84985	3.4
161.09592	22.8
161.13258	23.2
163.07552	5.2
163.11154	15.8
163.14784	8.6
165.12746	8.1
167.14290	3.4
169.08635	3.2
169.10068	3.1
171.11594	8.6
173.09604	4.8
173.13226	16.7
175.11162	10.7
175.14796	8.2
177.09047	8.5
177.12723	38.4
179.14305	7.5
183.11627	3.9
185.09581	3.7
185.13226	11.7
187.11171	6.5
189.09087	5.7
189.12743	25.2
189.16315	4.4
191.07024	2.9
191.14261	21.9
193.12221	6.4
193.15916	5.8
195.10179	4.4
197.13254	3.8
199.14749	5.9
201.12683	8.2
203.10585	8.9
203.14355	16.9
205.12178	18.1
207.13708	5.2
209.13210	3.9
209.15244	4.9
215.14264	5.8
217.15787	9.0
219.13789	15.1
221.15324	13.5
222.93552	3.8
223.13298	6.0
227.14240	12.6
233.15363	12.0
245.15358	30.5
251.16322	7.1
263.16412	74.8
281.11932	5.3
281.17441	100.0
299.06027	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	281.1743
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.89127	1.8
52.01298	1.6
53.03940	9.2
53.71455	1.7
55.01862	4.5
55.05501	33.7
57.03427	27.2
58.91137	1.4
65.03922	5.5
67.05493	84.6
69.07055	13.5
69.60448	4.1
69.60867	11.7
71.04975	4.9
71.46416	1.8
73.06519	1.8
79.05479	100.0
81.03401	13.8
81.07046	60.8
83.04967	38.7
83.08614	8.3
85.10544	1.7
91.05461	70.0
93.07028	73.0
95.04953	29.1
95.07996	2.8
95.08588	37.3
97.02874	3.1
97.06470	5.4
97.10148	5.0
98.21426	3.6
105.04451	2.1
105.07015	45.4
107.04936	9.1
107.08579	23.6
109.06495	11.5
109.10123	7.8
115.05454	2.0
117.06992	8.9
117.27927	1.7
119.08562	29.4
121.06480	3.2
121.10096	6.1
123.08039	5.9
127.07554	2.3
127.43999	1.8
128.06189	2.9
129.06979	19.9
131.08519	4.0
133.10123	12.7
135.11688	2.3
136.24934	1.5
141.09062	1.8
143.08508	8.0
145.10104	13.4
147.07979	2.7
147.10571	3.0
147.11667	42.3
152.86818	1.6
161.09550	3.6
161.13214	20.3
171.11668	29.8
189.12672	10.6
207.13768	12.4
281.14554	2.6
281.17462	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1741
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03936	8.3
55.01857	6.1
55.05505	33.4
57.03165	1.7
57.03426	26.7
57.07042	1.7
58.02410	1.3
65.03918	4.9
67.05492	81.2
69.03393	1.4
69.07053	18.1
69.72059	4.6
69.72487	4.5
69.88488	1.4
71.04970	3.6
73.06527	2.8
79.05478	100.0
81.03413	15.2
81.07042	62.9
83.04964	34.3
83.08611	9.6
85.06519	4.1
87.10422	1.2
91.05464	72.0
93.07027	78.0
95.04951	33.5
95.08006	2.4
95.08590	39.2
97.02854	2.2
97.06509	8.5
97.10129	5.8
99.08080	1.5
101.87480	1.2
105.07012	56.5
107.04946	8.7
107.08579	25.3
109.06502	8.3
109.10154	6.6
111.08047	3.4
117.07003	10.5
119.07744	2.0
119.08562	33.3
120.08929	1.3
121.06495	1.9
121.10132	5.8
123.08051	9.6
128.06163	3.6
129.06979	22.5
131.08531	3.7
133.06445	1.5
133.10109	12.6
133.51590	1.3
135.11647	3.9
137.09564	1.3
143.08508	9.5
145.10077	14.0
147.07997	3.2
147.11655	40.4
159.11644	1.5
161.09598	5.1
161.13223	18.9
162.56490	1.3
163.11214	2.0
171.11661	35.4
179.14253	2.1
189.12677	11.5
207.13742	13.8
223.68550	1.3
281.17395	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1741
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02369	1.9
51.34020	1.3
53.03934	9.4
55.01845	5.3
55.05500	39.8
57.03162	2.6
57.03424	35.4
57.07052	3.4
65.03919	4.7
67.05492	93.4
69.03405	5.1
69.07059	20.2
71.04962	4.6
71.45172	3.7
73.06561	2.9
76.02769	1.4
77.03903	1.4
79.05479	100.0
81.03398	18.4
81.07041	69.7
83.04965	39.2
83.05469	2.0
83.08607	9.0
85.02856	2.0
85.06525	2.2
87.30570	1.5
91.05463	80.4
93.07027	86.2
95.04949	32.3
95.08586	48.8
97.02834	1.6
97.06487	6.7
97.10139	6.8
99.08055	2.0
103.05449	2.2
105.07011	59.3
105.07719	3.1
106.87819	1.7
107.04933	7.5
107.08572	23.8
109.06480	8.7
109.10116	8.8
111.08068	4.1
115.05403	1.6
117.06988	13.1
117.64938	1.5
119.08556	35.0
119.36971	1.7
121.06463	3.8
121.10111	6.7
121.92500	1.8
123.08033	7.9
128.06180	4.4
129.06961	19.3
131.08546	4.6
133.10126	19.6
135.11665	3.6
137.09590	3.5
143.08551	12.1
145.10088	13.4
147.07997	3.6
147.11659	46.4
159.11703	1.7
161.09595	4.6
161.13255	21.5
162.65547	1.5
171.11655	32.9
189.12712	13.3
207.13742	13.6
221.11928	1.8
281.17371	38.5
281.22144	2.8
299.05878	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1744
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
50.07621	1.9
51.92601	2.1
53.03936	6.0
55.01866	5.3
55.05276	2.5
55.05505	35.2
57.03187	2.7
57.03430	25.9
57.07056	6.0
65.03927	4.9
67.05140	4.9
67.05497	92.2
69.03415	3.6
69.07058	17.1
71.04967	7.0
71.72118	3.7
73.06532	3.4
74.91808	2.0
79.05019	4.8
79.05485	100.0
81.03403	14.7
81.07045	69.2
81.25158	2.3
82.95006	2.0
83.04973	35.3
83.08608	10.0
85.06527	4.1
87.04462	2.2
91.05466	79.7
93.07033	73.2
93.07491	1.6
95.04956	36.2
95.08593	46.6
97.06512	7.8
97.10146	6.6
103.05402	3.1
105.07018	56.5
107.04930	10.6
107.08571	23.5
109.06506	9.6
109.10152	9.0
117.06990	12.3
119.08569	36.7
121.06494	5.5
121.10107	6.0
122.63052	2.1
123.08052	9.0
123.11678	2.4
126.81419	2.1
128.06187	5.0
129.07008	17.7
131.08563	3.7
133.10130	19.1
143.08537	11.2
145.10075	11.8
146.45636	2.2
147.11664	43.5
161.09669	3.3
161.13229	19.1
171.10349	3.3
171.11684	31.5
179.63800	2.2
189.12708	13.4
207.13788	13.1
223.14948	2.7
253.87923	2.1
281.17426	38.2
299.06375	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1743
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03941	9.1
55.01867	4.2
55.05508	33.9
55.14119	3.8
57.03431	38.1
57.07058	4.9
62.50812	2.9
63.20122	3.3
65.03931	7.4
67.05496	100.0
67.72672	3.7
69.07053	23.0
71.08604	6.1
79.05482	98.1
81.03406	12.7
81.06602	5.7
81.07047	75.7
83.04961	34.1
83.08610	13.2
91.05473	59.4
93.07030	69.3
95.04959	34.4
95.08591	46.7
97.06549	6.8
97.10158	6.4
98.20686	10.4
103.05422	4.0
105.07021	59.0
107.04937	5.4
107.08595	22.9
109.06507	9.5
109.10142	14.2
111.08027	4.3
117.07005	14.6
119.08556	27.4
121.06457	3.7
121.10117	6.5
123.08067	10.6
129.06998	17.6
131.08536	4.3
133.10126	15.9
135.11681	4.9
137.09612	3.5
143.08553	15.0
145.10112	10.8
147.07997	4.5
147.11661	39.7
161.13275	18.0
171.11673	30.2
189.12744	9.1
207.13776	15.8
265.99689	3.3
281.14822	6.4
281.17661	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	281.1743
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03941	11.0
55.01869	4.6
55.05503	33.6
57.03426	35.4
63.86777	2.1
65.03921	3.8
67.05499	91.7
69.03406	2.3
69.07061	13.7
70.15048	11.7
71.05001	4.2
73.06516	2.7
79.05482	100.0
80.23330	2.4
81.03403	16.3
81.07042	75.6
83.04502	3.8
83.04969	39.3
83.08601	9.9
84.40871	2.2
85.06528	2.2
91.05464	74.9
93.07030	70.3
95.04954	29.8
95.08601	38.3
97.02851	3.3
97.06512	6.7
97.10123	4.8
105.07008	52.4
105.76091	2.1
107.04955	9.7
107.08582	25.8
109.06507	10.9
109.10143	8.4
115.05437	3.2
117.06990	11.5
119.08572	36.0
121.06487	3.5
121.10139	6.4
123.08058	7.0
127.07521	3.8
128.06184	4.9
129.06992	16.7
131.08560	3.8
133.10129	15.4
143.08551	8.9
145.10124	9.9
147.08038	2.9
147.11661	37.9
161.09589	4.9
161.13225	17.5
163.11113	2.2
171.11655	26.4
189.12645	11.3
206.98701	2.1
207.13730	12.6
223.85793	2.6
281.17426	37.8
282.22141	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1744
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03928	9.2
55.01855	6.7
55.05500	42.6
57.03431	27.6
57.07061	3.5
59.54038	3.4
67.05499	84.7
69.07037	16.1
71.04981	6.6
71.25573	8.2
79.05485	100.0
81.03419	14.7
81.06608	5.7
81.07050	70.5
83.04980	31.2
83.08602	13.2
85.06512	5.8
91.05467	69.3
93.07033	76.1
95.04957	26.7
95.08587	49.3
97.06496	8.7
97.10160	8.4
99.08057	3.8
105.07019	53.1
107.04932	3.5
107.08584	29.0
109.06525	5.8
109.10134	9.9
111.08086	3.3
117.06995	8.6
117.41641	2.9
119.08573	30.1
121.06478	3.0
121.10139	13.2
123.08044	7.0
129.06998	18.7
133.10143	16.7
135.11646	5.2
139.79961	2.7
143.08542	13.4
145.10086	10.8
146.53307	3.9
147.11679	44.1
161.09622	4.7
161.13254	18.3
163.14755	3.8
171.11691	30.8
189.12691	11.4
207.13760	11.9
223.61678	3.0
233.14391	3.0
263.12515	3.2
281.17419	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.1
53.94592	1.3
55.01865	6.0
55.05503	37.9
57.03428	27.5
57.07069	2.0
64.11442	1.2
65.03927	3.7
66.03371	1.4
67.05495	91.4
69.03412	1.7
69.07057	16.8
71.04977	4.2
71.08497	3.5
71.08848	1.3
73.06519	2.9
74.39484	1.1
77.03905	1.7
79.05482	100.0
81.03413	14.5
81.07043	69.8
83.04970	35.4
83.08609	10.6
85.06532	4.0
91.05467	68.9
93.07030	75.8
95.04948	31.2
95.08585	40.3
97.02873	2.2
97.06516	7.9
97.10154	7.1
103.05527	1.3
105.04521	1.8
105.07015	51.8
105.07721	2.8
107.04926	11.6
107.08578	22.0
109.06487	7.7
109.10146	9.9
111.08072	4.0
117.07031	8.6
119.08557	35.6
121.06487	3.6
121.10133	8.5
123.08058	7.0
123.11704	2.6
127.07549	1.4
128.06241	2.9
129.06982	18.4
131.08521	5.2
133.06508	1.4
133.10107	16.3
135.11647	4.2
137.09616	1.9
143.08551	10.6
145.10121	11.0
147.08017	2.7
147.11673	34.5
151.07535	1.3
156.09322	1.5
161.09598	7.3
161.13213	19.2
163.11073	1.4
169.10158	2.0
169.69043	1.2
171.10199	1.9
171.11667	34.1
172.12053	1.7
185.13179	1.4
187.14844	1.5
189.12750	10.8
197.13019	1.6
199.14868	1.7
207.13765	14.0
211.14743	2.2
225.16429	2.8
281.14478	2.7
281.17435	38.0
281.22116	8.1
289.79730	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.5
53.90790	1.6
55.01856	3.8
55.05507	31.7
57.03431	24.2
57.07072	1.6
60.01756	1.6
65.03917	4.1
66.07616	1.9
67.05495	89.2
69.07066	14.9
69.58749	5.7
69.59171	8.8
71.01327	1.9
71.04960	5.1
73.06527	3.0
73.25523	1.6
76.98938	1.7
79.05482	100.0
81.03413	14.3
81.07043	62.8
83.04964	37.3
83.08598	10.0
85.06501	2.5
91.05467	74.7
92.46508	1.5
93.07030	68.1
95.04953	26.9
95.08591	40.3
97.06527	6.9
97.10146	5.7
103.05453	2.9
105.06326	3.7
105.07012	51.4
106.83252	1.7
107.04934	6.6
107.08586	23.5
109.06504	9.7
109.10124	9.3
113.71910	1.8
115.05451	2.8
117.06974	7.2
119.08573	30.2
119.12407	1.6
121.06534	2.6
121.10127	5.1
123.08029	7.6
127.07579	1.8
128.06299	2.1
129.06995	18.5
131.08531	4.1
133.06514	2.1
133.10120	17.1
135.08080	1.6
135.11665	2.5
137.09593	1.6
143.08540	8.1
145.10138	11.3
147.08055	3.1
147.11656	39.5
147.12717	3.1
156.09317	1.8
161.09628	4.0
161.13216	17.4
161.96486	1.9
163.11159	2.2
171.11681	32.3
189.12691	12.4
207.13783	13.2
214.68738	1.9
281.17450	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1743
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03935	10.4
55.01853	5.3
55.05506	34.7
57.03431	31.2
57.07063	2.0
63.18435	1.3
65.03917	4.0
67.05496	81.8
68.05814	1.8
69.07061	17.0
71.04979	4.1
71.71629	2.3
73.06523	1.4
79.05484	100.0
81.03415	14.5
81.07046	67.2
81.07433	0.9
81.07542	1.5
83.04523	1.7
83.04972	30.6
83.08605	12.2
84.26916	1.3
85.06521	2.9
91.05467	70.8
93.07034	69.2
95.04403	1.9
95.04959	29.4
95.07999	2.9
95.08593	44.6
96.08898	2.2
97.02885	2.0
97.06509	6.3
97.10130	6.9
99.08051	1.8
101.06021	1.7
105.04489	3.1
105.06342	2.7
105.07018	46.1
107.04914	7.5
107.08575	23.9
109.06496	7.4
109.10138	8.3
111.08050	2.9
117.07000	9.7
119.08563	35.9
121.06498	3.8
121.10130	5.4
123.08008	8.8
123.11790	1.8
126.06927	1.5
127.07537	2.4
128.06180	2.7
129.06989	19.5
131.08589	2.7
133.06499	1.8
133.10098	12.6
135.08075	2.5
135.11700	3.3
137.09596	4.7
141.07010	2.0
143.08560	9.2
145.10086	14.1
147.07991	4.0
147.11679	40.4
147.12856	2.2
159.11633	3.2
161.09581	4.7
161.13235	15.4
169.10139	1.6
171.11662	26.7
189.12695	9.5
192.06773	1.7
207.13780	11.6
281.17410	37.8
282.17914	1.8
284.00677	1.8
299.05948	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1745
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02378	1.2
53.03934	9.9
55.01873	6.2
55.05504	40.0
55.94690	1.2
57.03155	2.0
57.03429	31.8
57.07065	1.2
65.03933	5.1
67.05499	83.9
69.03416	2.9
69.07064	17.7
71.04984	3.3
71.25306	3.6
73.06537	2.5
79.05484	100.0
80.05780	2.0
81.03408	15.5
81.07047	62.1
83.04967	33.0
83.08625	9.9
85.06522	3.2
91.05469	74.1
93.07034	78.6
95.04957	34.5
95.08591	44.6
97.02856	1.5
97.06513	8.1
97.10143	6.0
99.08104	1.8
103.05485	1.9
105.04491	2.0
105.07014	53.6
107.04945	7.3
107.08581	26.7
109.06511	11.1
109.10162	8.2
111.08107	2.6
115.05489	1.9
117.07001	10.4
119.08563	36.1
121.06490	5.3
121.10129	4.9
123.08064	9.0
127.07588	1.9
128.06209	3.6
129.06981	21.5
131.08546	3.1
133.06499	1.5
133.10110	14.0
135.11668	2.5
143.08548	10.9
145.10109	12.8
147.08061	3.4
147.11668	43.7
161.09589	5.1
161.13237	16.6
171.11682	28.1
189.12735	11.4
207.13777	14.1
281.17435	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1195
Annotation	N6-Methyladenosine
Peak:m/z	Relative Intensity
50.58885	0.2
50.71218	0.2
53.03924	0.4
55.01852	0.8
55.05493	0.6
56.96292	0.3
56.96555	3.1
57.03425	1.2
57.07066	0.3
58.06586	0.3
59.04976	0.2
61.02916	1.1
65.03925	0.5
66.84613	0.2
67.05486	0.9
68.98238	0.2
69.03423	2.5
69.76447	1.0
69.76855	0.5
70.06581	0.5
71.01347	1.2
71.04966	0.5
71.95240	0.5
72.08138	0.4
73.02911	1.5
76.07632	0.4
79.05473	1.0
80.11024	0.2
81.03415	1.9
81.07033	0.8
83.04967	1.0
84.08138	1.8
84.96002	0.6
85.02890	3.3
85.06521	0.7
85.08457	0.6
87.04449	1.1
91.03951	0.3
91.05470	1.7
93.07039	0.3
95.04948	1.0
95.05440	0.2
97.02876	3.2
98.97568	8.6
99.04430	0.3
101.00904	0.6
102.09135	0.2
102.96964	0.2
107.04953	1.8
108.00835	0.2
108.51837	0.2
109.02830	0.9
109.05161	0.5
109.06477	0.6
110.97557	0.5
111.04406	0.8
113.03465	0.6
115.03912	0.4
116.98602	6.0
118.06512	0.2
119.01889	1.8
119.03640	0.2
119.04916	1.0
120.10194	1.4
120.97911	0.2
121.06479	0.9
123.04398	0.6
127.03906	1.0
128.98582	0.8
129.02034	0.3
131.00198	0.3
131.01877	0.8
133.03438	0.4
133.05060	0.9
134.05971	0.4
134.99637	3.3
135.03377	0.2
135.04401	1.5
135.05396	0.3
135.06560	0.2
136.07547	0.4
137.02864	0.4
137.05934	0.9
140.00157	0.3
140.07089	0.2
143.00119	0.3
143.01857	0.6
145.04953	0.5
146.99606	0.8
147.04346	1.2
149.01169	0.2
149.02910	0.3
149.05969	0.7
150.07730	100.0
151.03905	0.4
151.08052	0.5
152.06985	0.4
152.10690	0.4
153.00659	0.6
153.03064	0.2
153.05450	0.5
153.11003	0.7
155.01770	0.5
157.03424	0.5
158.01360	0.2
158.99615	1.6
161.01248	0.6
161.02919	2.4
162.05515	0.2
162.55473	0.2
162.99062	0.2
163.04076	0.6
164.07068	0.8
164.88786	0.2
165.05440	0.4
166.05984	0.2
166.08578	0.5
167.02081	0.2
167.07086	0.2
169.03291	0.3
169.04463	0.3
170.99588	0.4
171.05061	0.2
172.04922	0.6
173.01323	0.3
173.02919	0.7
174.04433	0.2
175.04472	0.2
177.00708	2.1
178.04883	0.5
178.55016	0.3
181.03513	0.4
181.04948	0.9
182.08003	0.3
183.05124	0.3
183.06531	0.4
184.04805	0.2
185.01263	0.3
185.02939	1.0
187.04457	0.5
188.09213	0.3
189.00711	0.5
191.00252	0.2
191.03844	1.0
191.54155	0.4
192.03651	0.7
196.09708	0.4
197.02953	0.6
199.02736	0.3
199.04501	0.3
200.04367	0.6
201.00725	0.4
201.04041	2.1
203.03954	0.5
204.05441	0.2
206.10196	0.8
209.01202	0.5
211.02724	0.2
211.04478	0.4
219.01691	1.7
221.05038	0.7
223.04620	0.4
224.05322	0.2
237.02705	1.0
237.16621	0.3
239.04114	0.4
240.98601	0.3
245.05116	1.1
250.14337	0.8
258.99744	1.9
261.03006	0.3
263.06198	0.4
277.00754	4.2
279.03842	1.0
282.12225	4.2
282.18945	0.7
282.21796	0.3
283.06580	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01858	3.6
56.96561	7.9
57.03416	6.6
61.02914	12.0
61.36547	1.3
67.05480	5.3
69.03086	2.1
69.03426	20.1
69.07031	2.0
70.06580	2.2
70.88530	4.6
71.01345	1.9
71.04975	2.7
72.08141	2.3
73.02896	5.5
79.05489	3.6
80.54511	1.3
81.03405	17.4
81.07056	1.5
83.01325	1.6
83.04987	1.9
84.08126	6.3
85.02895	100.0
85.06528	19.6
87.04446	3.8
91.03933	8.0
91.05428	7.2
93.07039	3.8
94.04069	1.7
94.48635	1.4
95.04944	4.4
97.02306	2.5
97.02879	24.6
97.06503	1.9
98.17982	1.3
98.97557	13.6
99.04424	3.4
101.02357	1.9
105.07050	2.0
107.04962	2.1
109.02882	8.6
111.04419	3.3
112.07600	2.1
116.98618	9.3
119.04932	3.8
119.07358	2.1
121.06486	4.7
123.04406	2.1
127.03902	22.5
128.07045	2.0
128.98618	2.2
134.09636	9.0
134.99675	3.4
136.06166	62.1
137.04590	1.6
137.05916	3.3
143.00198	1.7
145.04942	44.5
145.06085	2.6
146.99686	2.2
147.07983	1.5
149.05959	4.5
150.07735	53.3
152.05704	10.0
152.10648	12.6
158.99660	3.1
161.02850	1.8
163.06021	10.5
164.05676	1.6
166.08644	3.5
167.06898	1.6
174.04379	2.9
177.00688	8.6
177.07867	2.9
178.07213	3.7
180.05128	2.7
186.04276	1.5
189.00632	2.5
193.03154	11.1
194.06737	1.7
200.54497	1.8
201.00658	1.7
219.01808	4.8
229.10695	2.7
250.14369	5.2
252.12622	1.9
262.00861	1.7
267.99982	1.8
270.13782	1.8
279.03851	2.0
282.08371	11.9
282.13354	22.3
282.16965	6.5
282.21933	2.7
282.28177	1.7
285.01093	1.5
287.23990	1.5
300.06427	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	283.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03154	1.1
53.03929	2.8
54.71678	1.1
54.80630	1.2
55.01851	2.8
55.05491	5.5
56.96554	20.3
57.03434	6.3
58.99847	3.0
60.04494	1.2
61.02906	5.0
61.49844	1.2
65.03938	6.7
67.05494	10.0
68.98282	2.5
69.03421	20.0
69.07057	1.2
70.06438	7.0
71.01338	4.3
71.04991	3.4
71.95261	1.6
72.08141	7.0
73.02893	5.5
74.06061	1.5
77.00896	3.5
78.95259	1.9
79.05079	2.0
79.05486	25.4
81.03409	48.5
81.07043	20.4
82.03736	2.0
82.99841	2.8
83.04971	13.4
83.06081	4.4
84.08122	3.5
84.96022	4.2
85.02894	17.9
86.06046	1.7
86.99306	4.2
87.04459	2.5
91.03950	1.8
91.04919	2.2
91.05470	37.2
93.03385	1.9
93.07013	3.1
95.04963	18.8
96.33855	1.4
97.02879	16.0
97.06524	2.2
98.97572	28.1
99.04436	3.3
101.00860	18.6
102.02394	1.3
102.96870	4.1
103.02422	1.8
105.00335	7.3
106.12416	1.3
107.04928	15.9
109.02874	6.2
109.06504	10.5
110.06079	1.4
110.97554	3.3
111.04424	31.3
113.00823	6.2
115.02412	5.7
116.98611	23.2
119.01901	100.0
119.04920	22.5
120.01950	4.0
120.97965	2.9
121.01623	1.5
121.02843	7.3
121.06490	9.8
123.01394	2.1
123.04414	23.8
125.05991	2.0
127.02405	1.5
127.03898	5.0
128.98590	5.0
129.03984	2.1
131.00287	2.2
131.01880	36.9
132.02005	1.8
133.03467	10.2
134.06012	1.5
134.99648	14.3
135.03014	2.1
135.04398	13.3
136.06186	2.2
136.07515	2.0
137.02945	36.9
137.05927	11.9
138.98883	2.1
139.02328	2.9
141.03906	2.6
142.03487	4.1
143.00084	2.0
143.01878	17.6
144.01993	1.3
145.03442	20.0
145.04678	2.2
146.99640	4.1
147.01366	4.2
147.04321	16.4
149.02859	6.9
149.04503	3.4
149.05968	11.5
150.07738	21.0
151.02409	4.2
151.08162	21.8
152.05659	42.1
153.00746	2.4
153.04005	7.1
153.05362	2.2
155.01871	11.7
157.03461	35.3
158.99649	7.5
159.05008	6.6
160.04596	1.6
161.02945	62.2
162.03073	2.7
163.02521	2.9
163.04448	2.9
164.07010	3.5
165.02538	1.7
165.03969	4.5
165.05479	6.8
167.01912	3.5
167.05550	3.5
167.06958	1.9
168.02573	1.8
169.03444	55.0
170.03548	2.5
170.99614	1.7
171.01346	2.5
171.04991	15.5
172.95348	2.9
173.01335	2.3
173.02922	30.9
173.06604	2.5
174.97551	3.1
175.02966	2.4
175.04498	17.8
175.05907	2.4
176.05008	1.5
177.00797	9.1
177.04074	4.2
179.01857	6.3
179.03989	2.4
181.00017	2.8
181.03439	38.1
181.04903	1.9
182.03754	2.0
183.05048	31.7
183.06529	5.7
184.04720	4.7
185.02942	23.9
185.04539	2.7
185.06598	4.5
187.02800	2.9
187.04480	24.5
189.00725	2.8
189.06085	4.5
191.02220	1.8
191.03951	16.5
192.04831	1.4
192.98668	3.0
193.01825	2.5
193.03462	14.3
193.05145	2.9
193.55087	1.4
194.06555	1.6
195.01617	1.8
195.04991	20.8
196.04416	1.8
197.02936	56.8
197.06561	3.3
198.03026	2.9
199.01053	1.3
199.04485	20.9
200.02370	2.1
200.04399	1.8
201.00647	2.2
201.06094	5.4
202.05099	1.6
203.02315	1.9
203.04010	16.3
205.03452	12.8
205.05339	2.0
207.05011	4.7
209.03082	6.8
209.04700	1.5
209.06673	3.0
210.06117	2.0
211.02557	3.5
211.04495	45.1
211.06442	3.0
212.04724	3.1
213.00685	1.9
213.06023	9.7
215.04001	14.9
216.98668	3.3
217.03674	2.2
217.05548	5.0
219.01822	7.4
219.05104	1.8
220.01994	1.4
220.04579	2.1
221.02936	6.3
221.05045	4.6
223.01114	2.4
223.04504	45.7
224.04539	2.2
225.06076	7.5
227.04050	3.6
229.03540	2.1
229.05531	10.6
233.01764	1.5
233.05045	2.1
234.06091	1.7
234.99736	3.8
235.04472	5.7
237.02756	2.6
237.06004	7.8
239.04008	13.2
241.03352	2.1
241.05579	34.3
243.06863	1.8
245.05092	1.8
246.05858	1.5
247.04547	7.8
253.05566	15.0
255.07130	2.9
257.05063	2.1
258.99741	5.4
259.06619	5.2
259.99835	2.8
261.02963	9.8
263.06143	2.2
265.05566	18.7
265.11688	1.6
271.06616	3.4
273.07993	1.4
275.06152	1.6
277.00797	4.9
278.01059	4.6
279.03839	2.8
283.06595	97.6
283.13019	6.8
283.16763	2.4
284.06705	4.5
300.93954	2.2
301.00803	4.8
301.07690	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	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	6.4
55.01867	24.1
55.05504	40.5
57.03166	2.8
57.03427	38.3
57.07057	5.1
59.04992	3.3
60.08030	1.6
65.03919	4.0
67.05145	2.3
67.05495	45.9
67.06041	2.0
68.08307	1.6
69.03419	5.5
69.07057	23.5
70.01196	1.4
71.01324	2.1
71.04985	10.8
71.15372	4.6
76.03972	3.8
79.05483	57.4
81.03399	20.0
81.07043	50.8
83.01332	13.2
83.04967	36.1
83.08601	26.6
85.02889	8.2
85.06512	4.2
91.04929	2.0
91.05463	28.8
93.03393	1.5
93.07028	71.3
94.89384	1.4
95.04399	1.9
95.04959	19.9
95.08011	3.3
95.08595	54.9
95.16167	1.3
97.02860	6.0
97.06514	15.7
97.10143	3.5
99.04436	7.9
105.07012	20.6
106.28884	1.6
107.04939	25.0
107.08572	43.8
109.02835	2.2
109.06489	10.1
109.10137	11.4
111.04424	16.1
111.08102	7.8
111.08732	1.7
113.30402	1.7
117.07005	18.4
119.08569	20.3
121.02845	24.9
121.06505	9.1
121.10132	29.7
123.04347	1.9
123.08054	10.0
123.11716	3.4
125.05966	4.6
129.06970	3.1
130.07730	3.4
131.08533	7.1
133.10097	5.9
135.04376	2.5
135.08032	5.5
135.11673	71.3
137.09550	1.9
139.03897	3.2
139.07462	3.4
145.10088	47.6
147.08038	3.2
147.11604	3.4
149.13278	2.9
153.12723	24.2
155.08525	2.8
163.11159	90.6
165.07068	2.0
173.09581	4.9
181.12190	29.8
191.10643	7.0
192.17421	1.6
195.11743	2.2
209.11638	11.5
227.12744	100.0
230.47932	1.7
283.06393	2.6
283.09866	5.3
283.15295	63.2
283.20416	4.3
301.16608	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1535
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
51.61700	2.4
53.03929	8.0
55.01868	52.0
55.05505	85.1
57.03165	3.9
57.03431	70.7
57.07070	6.0
59.04995	12.2
65.03926	2.7
67.05493	53.8
69.03413	3.9
69.07057	14.6
69.29604	2.4
71.01328	4.7
71.04974	16.6
71.16388	7.2
79.05019	3.8
79.05483	76.8
81.03409	31.9
81.07046	59.9
83.01335	42.1
83.04970	50.1
83.08607	42.3
85.02890	12.8
85.06493	2.9
91.05466	50.6
93.07030	94.2
95.04960	32.4
95.08588	28.2
97.02866	8.1
97.06525	20.0
97.10143	3.5
99.04433	11.6
103.05460	3.1
105.07008	29.5
107.04939	30.2
107.08582	46.6
109.06512	24.7
109.10155	7.8
111.04436	18.0
111.08076	9.0
115.05402	3.3
117.07030	23.6
119.08566	32.1
121.06483	12.1
121.10121	26.6
123.08063	27.7
125.05987	9.0
129.06949	5.5
130.07751	7.1
131.04912	2.8
131.08592	13.4
133.10187	3.4
135.08043	8.7
135.11664	43.1
137.09563	5.3
139.07506	2.6
143.08572	3.0
145.06474	4.6
145.10098	56.9
147.08022	9.4
147.11690	19.5
153.12744	17.6
155.08530	9.7
157.10027	3.3
163.09770	5.2
163.11156	100.0
173.09578	12.6
181.12222	23.3
190.12735	2.4
191.10626	8.0
209.11705	25.6
227.12691	16.5
233.13292	2.6
270.22748	2.8
283.15366	99.6
283.20471	8.0
284.15631	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	283.1535
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03924	10.6
55.01598	2.8
55.01861	51.0
55.05502	84.2
57.03162	4.8
57.03426	75.2
57.07059	4.7
59.04972	11.2
67.05492	51.8
68.32153	2.7
69.03378	7.2
69.07043	11.7
70.10124	8.1
70.10542	7.2
71.01313	3.7
71.04973	15.4
79.05016	4.8
79.05474	73.0
81.03404	35.6
81.07041	69.1
81.22248	2.4
83.00858	2.7
83.01324	42.9
83.04511	4.1
83.04967	58.2
83.08609	43.9
85.02901	13.7
85.03323	2.3
85.06538	3.3
91.05009	3.3
91.05473	42.3
93.07025	90.9
95.04958	27.2
95.08591	31.4
97.02853	8.1
97.06500	19.8
97.10117	4.0
98.20689	3.4
99.04446	12.5
103.05441	2.7
105.07016	36.4
107.04935	29.0
107.07915	4.1
107.08576	50.3
109.06505	27.1
109.10136	7.3
111.04395	12.2
111.08049	7.9
117.07000	28.4
119.08556	33.9
121.06480	13.7
121.10119	33.6
123.08045	27.1
125.05953	4.7
125.09600	6.4
129.06999	5.6
130.07739	5.0
131.08531	11.9
133.10075	8.8
135.08000	8.4
135.11671	51.6
137.09586	3.7
143.08527	4.5
145.10085	58.1
147.07973	7.4
153.12709	14.9
155.08524	6.8
163.11160	99.9
173.09554	15.5
181.12207	24.3
191.10587	14.6
209.11656	22.2
227.12727	15.1
245.33701	2.9
249.33197	3.0
283.15344	100.0
283.20374	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	283.1535
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03936	6.7
55.01866	37.7
55.05503	58.7
57.03429	52.9
57.07060	6.3
57.21738	3.0
59.04988	10.1
65.20400	2.8
66.57018	2.9
66.59133	3.0
67.05489	36.5
69.03418	3.4
69.07056	10.5
71.01328	3.7
71.04221	6.0
71.04571	6.6
71.04984	9.6
79.05476	59.9
81.03402	40.2
81.06602	4.6
81.07040	53.0
83.01336	37.5
83.04967	42.3
83.08594	35.3
84.10560	3.1
85.02888	8.2
85.06559	5.8
91.05470	36.9
93.07032	74.5
95.04964	20.4
95.08588	21.2
96.51380	3.1
97.02885	5.9
97.06526	17.8
97.10152	7.2
99.04448	5.4
104.93964	2.9
105.07034	29.5
107.04935	22.8
107.08578	42.6
109.06489	27.7
111.04420	7.7
111.08024	6.7
117.06988	19.2
119.08576	20.7
121.06454	8.2
121.10126	24.2
123.08054	31.3
125.06015	5.8
129.06966	5.4
130.07785	3.5
131.08557	7.1
133.10109	5.0
135.08029	6.2
135.11667	41.4
137.09573	6.2
137.56732	3.5
141.45027	3.3
145.10089	54.1
147.08014	7.6
148.15219	3.6
153.12689	10.1
163.11160	100.0
173.09627	14.0
181.12247	15.1
191.10654	10.7
209.11746	26.5
227.12753	12.1
283.15353	95.3
284.33542	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1534
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03938	10.8
55.01860	35.1
55.05501	71.8
55.90374	2.7
57.03428	66.6
57.07058	6.4
59.04995	11.0
67.05495	44.6
67.27794	2.8
68.63761	3.0
69.07071	14.5
71.04985	14.0
74.28470	3.3
79.05483	75.8
81.03408	40.8
81.07043	64.8
83.01327	37.7
83.04961	44.4
83.08607	35.1
85.02879	14.4
85.06499	4.4
91.05468	49.7
93.07027	88.8
93.07584	5.6
95.04950	22.5
95.08575	25.9
97.02876	7.4
97.05930	3.3
97.06510	13.4
99.04438	8.9
105.07018	37.0
107.04937	31.2
107.08568	44.4
109.06481	25.5
109.10127	5.1
111.04444	7.3
111.08048	8.1
117.06997	28.1
119.08546	29.0
121.06484	13.6
121.10127	26.3
123.08037	31.0
125.05988	8.5
125.09599	5.6
129.06990	3.9
130.07762	5.7
131.08559	10.9
133.10088	8.8
134.99596	2.9
135.08058	10.1
135.11678	47.6
137.09593	6.4
143.08534	3.8
145.10083	56.3
147.08043	5.5
147.70482	3.6
153.12747	14.0
155.08540	3.6
161.01755	2.9
163.11162	100.0
173.09619	13.1
181.12199	17.2
191.10664	9.2
209.11731	31.5
227.12785	10.5
228.47905	2.9
283.15387	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.6
53.05123	4.6
55.01868	40.6
55.05503	81.3
55.61541	4.4
57.03428	63.9
59.04969	11.5
59.17886	4.5
67.05492	40.6
69.07057	14.6
69.57233	46.4
71.04965	13.5
79.05482	63.7
81.03408	37.5
81.07043	66.2
83.01330	32.3
83.04974	40.9
83.08598	42.3
85.02866	8.4
85.06537	5.5
91.05470	49.8
91.07868	4.5
91.19767	5.3
93.07024	88.9
94.81505	6.2
95.04938	22.4
95.08600	23.7
97.06507	16.5
98.20724	8.5
99.04440	10.0
105.07010	36.1
107.04919	18.9
107.08568	33.0
109.06503	17.5
109.10155	7.5
111.04424	9.6
111.08037	5.1
115.05516	4.5
117.06982	21.9
117.40083	4.0
119.08566	23.4
121.06512	12.0
121.10156	24.3
123.08045	34.1
130.07779	6.1
131.08543	11.8
133.10109	8.6
135.11696	48.5
138.42108	4.8
145.10109	57.3
147.08041	8.6
153.12785	10.8
155.08536	6.3
156.21623	4.7
163.11156	100.0
173.09637	11.1
181.12212	17.5
191.10536	11.4
209.11678	22.1
220.99249	5.0
222.27072	5.5
227.12804	11.7
261.26755	4.6
283.15326	84.4
283.78973	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	283.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25658	0.8
53.03931	2.3
55.01868	7.2
55.05502	16.3
57.03426	15.3
57.07049	1.5
60.35909	0.8
62.48243	0.8
65.03916	1.7
67.05495	24.9
69.03403	3.6
69.06744	0.8
69.07059	10.3
70.03957	4.0
71.01310	1.1
71.04980	4.2
71.08595	0.9
73.02886	1.2
73.45839	0.7
77.03912	0.7
79.05482	34.0
80.05821	1.0
81.03401	4.7
81.07044	26.9
83.01322	1.5
83.04961	9.7
83.08611	11.4
85.02888	2.2
85.06524	1.9
91.04936	0.9
91.05468	13.8
93.07033	50.5
95.04950	11.0
95.08591	48.2
95.16947	0.7
96.08964	1.4
97.02869	5.9
97.06516	6.8
97.10136	1.2
98.20710	0.9
99.04457	4.6
99.08083	0.8
103.05426	2.3
105.07019	12.2
107.04945	14.4
107.08577	33.2
108.08862	0.8
109.02868	0.8
109.06487	3.0
109.10117	6.1
111.04424	6.1
111.08058	2.0
111.11707	0.8
115.05377	1.4
117.07001	12.7
119.08553	12.7
121.02855	12.4
121.06497	7.8
121.10128	14.1
123.08000	2.2
125.05953	3.5
129.06967	1.5
130.07764	2.7
131.04913	1.3
131.08516	2.4
133.10147	3.8
135.08034	4.0
135.11671	55.9
136.12006	1.0
139.03848	1.7
139.07504	2.1
143.08488	2.1
145.06441	1.5
145.10104	37.0
146.10329	0.9
153.12740	5.3
155.08498	1.3
159.11630	0.9
163.11162	77.5
164.11475	1.6
173.09608	1.9
174.07245	0.8
175.23271	0.8
178.83940	0.9
181.12209	20.4
191.10620	1.8
209.11671	1.9
209.37799	0.7
227.12747	100.0
228.13023	2.1
283.06177	1.6
283.09656	1.0
283.15320	27.5
283.20435	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03957	1.6
53.03930	3.9
54.71582	1.8
55.01858	11.2
55.05500	23.2
57.03202	1.7
57.03431	21.6
57.07047	1.8
59.04988	2.2
59.42957	1.7
67.05496	25.4
69.07062	10.8
70.96012	3.4
70.96410	4.7
71.04986	8.0
79.05483	37.6
81.03412	10.8
81.07043	28.8
83.01340	8.7
83.04959	12.8
83.08608	17.7
85.02884	2.8
91.05472	16.4
91.93098	1.9
93.07029	59.7
95.04944	12.5
95.08591	43.0
97.02864	4.4
97.06506	5.9
99.04433	5.0
100.16293	1.7
105.07009	18.1
107.04932	15.6
107.08575	34.5
109.06489	6.7
109.10134	5.3
111.04447	4.7
111.08019	2.1
113.05981	1.9
117.07017	12.5
119.08562	19.2
121.06468	7.8
121.10133	20.4
123.08041	6.3
125.05970	7.0
130.07761	5.6
131.08534	3.5
133.10097	6.7
135.08025	2.2
135.11678	61.3
139.07515	2.1
143.08488	2.1
145.10106	36.2
147.08081	2.2
147.11652	2.6
153.12706	4.6
157.10094	2.0
163.11156	85.5
164.11484	2.3
173.09624	2.8
181.12199	20.6
185.53082	1.6
191.10585	3.0
209.11644	5.4
212.14738	1.9
227.12750	100.0
229.73782	2.2
283.15186	37.3
283.20532	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	283.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.8
55.01601	1.5
55.01864	22.9
55.05506	35.8
56.96523	1.7
57.03428	29.4
57.07060	4.5
59.04987	4.8
61.02913	1.4
65.03918	3.6
67.05496	35.9
69.03424	7.7
69.06741	1.6
69.07063	17.5
69.49168	8.3
69.49586	5.9
71.01333	1.7
71.04987	8.0
73.02886	2.6
73.36768	1.3
79.05484	51.6
79.65524	1.4
81.03403	16.3
81.07042	46.4
83.01329	11.4
83.04517	1.9
83.04971	27.7
83.08160	2.3
83.08606	25.2
85.02897	8.1
85.06511	3.2
91.05470	24.4
93.07031	68.5
95.04951	20.1
95.08592	50.1
97.02860	6.9
97.06518	11.7
97.10152	3.2
99.04426	6.5
103.05450	3.1
105.07021	19.7
107.04946	21.3
107.08580	41.8
109.02857	4.3
109.06486	9.3
109.10129	8.1
111.04431	12.9
111.08058	7.6
115.05388	1.7
117.07008	16.7
119.08566	18.8
121.02852	38.6
121.06512	9.8
121.10131	27.1
123.08082	9.3
124.64577	1.5
125.05972	4.6
125.09588	4.2
126.05912	1.5
127.03868	1.9
129.06995	4.2
130.07744	5.2
131.08546	7.5
133.10146	7.9
135.08017	5.0
135.11678	68.4
137.05956	1.5
137.09560	1.7
139.03891	4.6
139.07530	2.3
143.08539	3.1
145.10098	44.9
147.07988	3.4
147.11647	2.3
153.12726	19.5
163.03940	3.0
163.11160	96.2
173.09593	6.7
177.06761	1.7
181.12218	27.1
191.10660	8.4
195.11734	2.1
203.65878	1.5
205.06400	2.1
209.11627	9.5
223.07536	2.4
227.12738	100.0
237.05421	1.9
240.07608	2.1
247.16925	2.0
251.06956	2.2
268.07257	2.0
283.06491	2.6
283.09689	12.1
283.15375	58.1
283.20358	3.2
284.15826	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.0
55.01633	3.1
55.01865	40.7
55.05502	76.8
57.03159	4.3
57.03429	65.6
57.07056	10.8
59.04987	9.2
61.85165	2.6
65.03901	3.0
66.92654	2.5
67.05495	56.6
69.03403	2.8
69.07060	20.8
69.73395	2.5
69.85612	17.2
71.01328	6.5
71.04984	16.0
71.08612	4.0
79.05482	78.6
81.03400	38.9
81.07043	69.1
83.01334	44.7
83.04513	3.7
83.04971	51.1
83.08604	43.7
84.61191	2.7
85.02879	11.7
85.06519	3.3
86.59888	2.6
91.04922	4.0
91.05467	48.4
92.25108	2.6
93.07034	100.0
95.04381	4.2
95.04942	32.0
95.08591	37.6
97.02866	9.1
97.06521	17.9
97.10154	7.2
98.84833	2.9
99.04441	6.8
100.07764	2.4
105.07014	37.7
107.04939	28.9
107.08585	47.9
109.06486	21.3
109.10144	9.5
111.04417	16.8
111.08043	7.3
112.87392	2.4
117.07016	25.1
119.08556	40.5
121.06496	14.0
121.10133	35.6
121.55498	2.6
123.08064	27.7
125.05967	6.9
125.09637	6.4
129.06963	4.8
129.52660	2.7
130.07756	2.9
131.04900	3.2
131.08571	14.6
133.10130	11.0
135.08018	8.1
135.11673	59.3
137.09622	3.5
143.08534	5.0
145.06496	5.8
145.10100	59.0
147.07990	7.7
147.11694	6.4
149.09615	3.2
153.12703	15.6
155.08498	3.1
163.09789	5.0
163.11160	97.9
165.09097	3.5
173.09613	11.7
181.12202	17.6
187.14944	2.6
191.10632	11.7
192.23140	3.6
209.11693	29.2
227.12767	24.0
236.31587	2.6
283.15277	85.0
283.20493	8.2
283.24063	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	283.2052
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
53.03922	3.3
54.52092	1.6
55.01859	5.2
55.05505	17.4
57.03432	9.9
57.07052	3.0
59.23024	1.6
60.20664	1.3
67.05503	21.5
69.03411	5.8
69.07060	12.0
71.04964	5.2
71.70055	2.0
79.05483	20.9
81.03400	5.0
81.07047	31.1
83.01313	4.3
83.04968	10.0
83.08604	9.1
85.02885	1.6
85.06567	2.5
91.05469	21.0
93.07036	36.8
95.04952	12.1
95.08599	25.5
97.06508	6.4
98.64706	1.6
99.07970	1.4
101.14749	1.7
105.06332	3.1
105.07019	47.3
105.07713	3.6
107.04961	3.5
107.08584	31.1
109.06497	9.5
109.10145	15.8
110.83347	1.6
111.04426	2.5
111.08020	2.4
116.06232	2.3
117.06989	9.0
119.08567	39.0
121.06503	10.4
121.10129	68.4
123.08062	9.1
123.11672	7.6
128.06189	4.1
129.06961	5.4
131.08554	30.0
133.10124	30.5
135.08038	11.8
135.11684	14.7
141.06927	5.8
142.07745	5.2
143.08537	23.4
145.10109	35.4
146.10519	1.8
147.08052	4.6
147.11633	10.9
149.09570	3.3
149.13268	3.5
153.12718	3.1
155.08511	7.4
156.09334	4.8
157.10104	21.2
158.07155	2.0
158.10876	6.9
159.08109	8.0
159.11688	18.0
161.09604	22.4
161.13234	5.4
163.11143	14.7
163.14841	1.8
167.08493	2.5
168.09415	1.8
169.10112	7.1
170.10875	2.9
171.11684	15.4
173.09604	8.0
173.13251	53.3
175.11246	2.9
175.14783	6.8
179.08519	4.9
180.09317	4.3
181.10106	7.6
181.12277	2.5
182.10841	2.0
183.11674	9.0
185.09645	4.8
185.13243	14.6
187.11151	2.9
187.14786	8.3
189.12724	3.9
191.14323	3.5
193.10133	3.9
194.10905	7.0
195.11646	9.8
197.13362	8.1
199.11069	2.6
199.14882	8.5
201.16370	5.0
207.11725	1.8
208.12465	3.3
209.11562	3.0
209.13252	16.9
210.13908	2.3
211.14709	2.7
213.12717	6.1
213.16364	3.3
221.13197	4.1
222.14035	3.0
223.14751	10.0
225.16426	6.8
227.14287	7.3
235.14766	2.2
237.16435	2.2
239.17848	3.2
241.15846	3.1
250.17168	2.8
255.21014	7.5
265.19528	30.9
283.15778	11.9
283.20520	100.0
284.20917	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	283.2052
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
50.20653	0.2
53.03945	0.3
55.01851	0.5
55.05507	2.2
57.03425	0.7
57.07068	0.4
57.91777	0.2
58.49084	0.2
61.24520	0.2
65.03934	0.3
67.05489	3.5
67.06907	0.2
69.03399	0.3
69.07053	2.6
70.78256	0.2
70.88459	0.6
71.04982	1.2
76.04002	0.2
77.04433	0.2
79.05485	2.5
81.03402	0.5
81.07039	3.0
83.04973	1.2
83.08607	1.2
85.02897	0.3
85.06523	0.4
86.67941	0.2
91.05470	3.3
93.07030	3.1
94.87712	0.2
95.04961	0.8
95.08598	3.7
95.94433	0.2
97.02863	0.3
97.06519	0.6
97.10135	0.5
99.08094	0.4
103.05441	0.4
105.07012	4.9
107.04958	0.3
107.08579	3.2
109.06506	0.4
109.10148	2.1
111.04410	0.5
111.08035	0.3
115.05468	0.5
116.06204	0.2
117.06991	2.0
119.08574	5.4
121.02859	1.6
121.06471	0.2
121.10112	2.5
123.08040	0.6
123.11686	0.6
125.09618	0.4
128.06223	0.8
129.06993	1.5
130.07791	1.4
131.08542	3.8
132.09306	0.4
133.10118	6.2
135.08023	0.5
135.11658	1.2
137.09573	0.3
139.03787	0.2
141.06966	0.3
142.07794	0.9
143.08559	1.7
144.09325	0.9
145.10104	6.5
146.10858	1.6
147.11662	100.0
148.10889	0.3
148.11998	2.0
149.09637	0.2
149.13235	0.2
153.06940	0.2
153.12766	0.3
155.08507	1.1
156.09319	1.7
157.10106	3.1
158.10875	0.4
159.11668	6.1
160.12303	0.2
161.09596	0.3
161.13214	2.2
163.11150	0.8
165.07013	0.4
167.08528	0.5
169.10109	1.7
170.10909	2.2
171.11678	4.2
172.12349	0.3
173.09581	0.3
173.13260	1.1
175.11275	0.3
178.07622	0.2
179.08501	0.2
181.10167	0.7
182.10905	1.1
183.11653	1.8
184.12433	2.1
185.13237	5.9
187.11136	0.4
187.14813	0.3
194.10899	0.2
195.11626	0.9
196.12404	0.4
197.09488	0.2
197.13243	3.0
198.13928	0.2
199.14793	4.3
207.11644	0.5
208.12436	0.3
209.11601	0.3
209.13339	1.0
210.13913	0.5
211.14771	1.3
212.15544	0.5
213.12682	0.4
213.16377	0.9
221.13145	0.5
222.13934	0.4
223.14793	0.8
225.12880	0.3
225.16393	0.8
226.17067	0.2
227.12598	0.5
227.14444	0.4
235.14719	0.8
236.11943	0.2
237.16405	1.2
239.17946	0.8
241.15771	0.4
241.19415	0.2
247.24283	0.2
250.17200	0.7
251.06789	0.2
253.19438	0.4
255.14326	0.2
255.21152	0.4
265.19556	1.3
265.24991	0.2
268.18158	0.5
283.09952	1.0
283.20526	36.1
284.20734	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0983
Annotation	NSC19994
Peak:m/z	Relative Intensity
55.01845	0.9
55.02974	1.2
56.21300	0.7
56.96546	2.6
57.03428	1.8
63.22801	0.7
67.05483	1.3
69.03405	2.1
70.02982	1.4
70.03382	4.3
70.06599	1.1
71.01328	3.0
71.64474	0.7
73.02888	2.9
79.05464	0.9
81.03385	3.6
82.04036	1.5
83.02407	0.7
84.04482	0.9
84.08126	0.8
85.02875	3.4
85.06506	2.1
86.86089	0.7
91.05460	1.7
93.06978	0.9
94.04038	0.9
95.04934	1.5
97.02850	2.4
97.05071	0.9
98.03557	1.6
98.97573	5.5
109.02874	1.3
109.05119	4.8
110.03514	3.9
112.05124	1.0
115.03916	0.8
116.57227	0.8
116.98605	3.2
119.03538	1.8
119.04849	1.2
121.05094	1.1
121.06458	1.9
122.06833	0.9
123.04453	1.6
124.06153	1.3
125.04601	4.7
125.06967	0.9
126.05396	0.8
126.07707	3.9
127.06144	7.9
128.04536	3.0
128.07074	0.9
134.99603	1.9
135.03001	3.3
135.05350	1.7
136.06163	97.7
137.04544	7.9
138.07689	2.2
148.06094	0.8
149.05913	1.5
150.07729	1.0
151.06139	1.1
152.05646	100.0
154.07224	10.3
155.05591	1.1
158.99625	3.1
159.03253	1.5
160.06030	0.9
161.03088	1.4
161.04622	5.1
164.05606	1.3
166.07179	1.7
170.05164	0.8
177.00687	2.3
177.04199	0.9
178.07227	1.7
182.06670	1.0
186.81943	0.8
194.06685	1.6
196.08330	1.8
204.05495	0.9
219.01692	2.9
224.07784	1.1
237.02644	1.6
238.87561	0.9
248.07617	1.2
252.15771	1.1
256.10300	1.9
266.08749	3.1
267.07346	1.0
284.09805	20.5
284.29416	3.3
288.97806	0.9
303.07364	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
54.38521	0.3
55.01847	0.7
55.05479	0.4
56.96550	0.8
57.03420	0.7
57.71510	0.3
61.02902	0.8
65.03938	0.4
67.05492	0.5
68.21777	0.4
69.03426	1.8
70.06574	0.8
70.32511	0.5
70.32908	0.9
73.02897	0.9
79.05480	1.1
80.05809	0.3
81.03404	3.2
81.07035	0.9
82.03742	0.4
83.04947	0.9
85.02885	2.3
87.04444	0.5
91.05466	1.1
95.04950	1.6
96.04429	0.4
97.02877	2.2
98.97559	1.6
101.00829	0.6
107.04926	0.9
109.02900	0.4
109.05125	0.7
109.06501	0.5
110.03500	2.4
111.04432	1.6
116.98598	0.9
119.01914	1.8
119.04917	1.1
120.02056	1.0
121.01636	0.4
121.06460	0.6
123.04392	2.2
123.07984	0.4
127.03866	0.5
128.04526	1.4
131.01894	1.3
132.02020	1.2
133.01616	0.7
134.04642	0.4
135.03020	3.3
135.04387	0.8
136.06154	0.7
137.05940	0.7
143.01880	0.8
144.01973	0.6
145.03371	0.4
147.04340	1.0
149.02910	0.3
149.05983	0.9
152.05655	100.0
153.04068	7.6
153.06030	0.4
157.03430	0.8
158.03603	0.9
158.99590	0.6
161.02934	1.8
161.53822	0.3
162.03114	0.8
163.02689	1.1
165.05511	0.5
169.03452	0.5
170.03621	0.9
171.05057	0.4
172.05074	0.6
173.02914	0.9
174.03061	0.8
175.02702	0.5
175.04410	0.6
175.54341	0.4
176.04555	0.5
177.00751	0.6
182.03760	0.6
184.05055	0.8
185.02965	0.5
186.03143	0.4
192.53615	0.3
193.03571	0.4
194.03508	0.9
196.05095	0.6
198.03119	0.9
200.04619	0.4
203.04091	0.4
204.04143	0.5
205.03726	0.8
211.04544	0.6
212.04646	1.6
219.01758	0.6
223.04460	0.8
224.04716	0.5
226.06248	0.4
236.04645	0.3
242.05548	0.4
254.05789	0.9
261.03101	0.4
264.28064	0.3
265.05786	0.5
283.06760	0.3
284.06628	1.6
284.11234	0.5
284.15082	0.3
284.29346	0.5
290.71063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99207	0.7
53.03935	3.7
55.01873	3.6
55.05503	10.7
55.55143	0.7
57.03427	7.0
57.07057	1.2
62.96123	0.8
63.00022	0.8
65.03922	1.1
67.05493	20.3
69.03420	3.3
69.07049	6.5
69.27673	0.8
69.88659	1.7
69.89072	4.0
70.14880	0.7
71.04982	3.7
73.02884	0.7
75.75327	0.7
79.05475	18.1
81.03403	100.0
81.07040	20.7
83.04973	7.0
83.08604	21.2
85.02888	6.3
85.06538	2.3
87.04481	1.1
91.05463	20.0
93.07021	14.6
95.04951	29.7
95.08584	14.0
97.02874	2.2
97.06520	3.1
97.10150	2.1
99.04425	1.1
105.07013	16.2
107.04940	7.6
107.08566	8.0
109.06493	4.0
109.10119	6.5
111.04424	2.9
111.08059	11.4
113.05986	1.1
113.49319	0.8
115.05424	1.8
117.06996	1.9
119.08559	14.6
121.06498	1.9
121.10123	9.1
123.04431	0.9
123.08060	2.4
123.11703	2.2
125.09624	0.9
128.06233	1.4
129.06982	9.6
131.08546	9.5
133.06459	2.8
133.10123	8.1
135.08064	1.1
135.11691	3.0
137.05963	1.1
137.09599	2.2
141.06989	0.7
142.07762	2.2
143.08556	1.1
145.10118	1.7
147.04408	0.8
147.08003	4.0
147.11649	10.7
149.09636	5.7
149.13243	1.0
153.07045	1.1
155.08531	1.7
157.10091	10.5
159.11703	1.1
161.05951	2.7
161.09709	1.2
161.13275	1.2
165.06972	5.2
165.12799	2.5
167.08539	1.0
175.11154	15.1
181.04977	2.5
182.07236	1.4
183.07976	1.0
183.11647	1.0
187.14830	1.0
189.16350	5.6
193.06407	4.7
193.12216	41.0
196.05206	1.0
198.09251	0.9
199.14827	3.7
202.14253	0.8
203.17882	0.9
210.06775	2.6
211.07571	1.3
211.13229	7.6
213.16391	1.1
215.11790	0.8
221.05907	5.4
225.09097	8.8
229.04945	1.5
238.09904	1.4
239.06964	1.4
243.06630	1.3
243.11255	1.4
249.18501	1.9
253.08574	15.3
255.43718	0.8
257.04501	0.8
257.08072	2.0
258.05307	2.4
267.06476	1.0
267.11319	1.2
267.13654	1.3
267.15927	10.0
270.09177	0.8
285.04608	0.9
285.07623	4.0
285.11377	10.3
285.17050	3.8
285.22208	4.0
286.04752	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.9
53.27666	1.2
55.01858	6.3
55.05504	26.4
57.03430	45.1
57.07044	1.8
65.03931	2.9
67.05499	50.8
69.03417	6.8
69.07059	14.5
69.72378	6.0
69.72805	4.8
71.01357	2.3
71.04984	18.8
72.08150	1.4
73.02892	2.0
73.06530	1.9
79.05018	2.6
79.05482	42.8
81.03407	100.0
81.07046	61.7
81.07434	1.0
81.07533	1.6
83.04967	22.1
83.08608	31.3
85.02895	72.1
85.06520	5.6
91.05471	51.8
91.06040	2.3
93.07037	35.5
95.04956	42.1
95.08593	28.9
97.02874	6.3
97.06524	10.1
97.10162	5.1
99.08095	2.5
103.36367	1.5
105.07017	43.1
107.04942	10.9
107.07925	1.4
107.08588	18.5
109.06509	9.8
109.10133	10.8
110.91305	1.3
111.04419	4.6
111.08073	21.3
113.05990	6.0
117.07052	3.1
119.08571	29.0
119.65839	1.3
121.06520	3.0
121.10143	22.3
123.08033	6.5
123.11689	5.5
125.09626	2.0
128.06129	1.3
129.06990	17.2
131.08533	16.9
133.06480	4.2
133.10136	18.5
135.08073	2.4
135.11676	4.2
137.05981	1.6
137.09648	2.1
142.07748	5.9
143.08559	1.6
145.10097	4.9
147.08020	5.5
147.11673	26.6
149.09563	11.3
155.08707	1.5
157.10106	24.2
161.05959	2.1
165.06981	2.7
165.12723	5.9
171.11710	2.0
175.11177	23.3
181.04909	3.2
189.16321	2.8
193.06487	2.8
193.12218	75.3
203.03410	1.7
210.06689	3.2
211.13269	47.6
213.16516	1.9
221.05894	2.9
225.09094	4.1
249.18445	3.5
253.08685	6.9
257.04596	3.6
263.77252	1.5
267.10254	2.0
267.15967	6.9
267.19644	2.5
285.08176	2.8
285.11395	6.6
285.16956	53.0
286.17288	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	[3S-(3alpha,3aalpha,5aalpha,6alpha,8beta,9beta,9aalpha,9bbeta)]-Decahydro-6,8,9-trihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03946	6.4
55.01862	9.2
55.05505	32.9
57.03431	41.2
61.02921	8.1
67.05501	43.9
69.03405	23.8
69.07056	15.1
69.69759	29.9
71.04984	15.7
79.05478	40.4
81.03405	100.0
81.06600	7.8
81.07046	94.3
83.04958	29.4
83.08611	26.4
85.02887	50.1
87.04455	9.4
91.03947	12.1
91.05465	49.6
93.07034	65.8
95.04953	52.8
95.08599	44.1
97.02881	19.3
97.06513	14.1
97.10143	5.7
99.04437	9.3
105.07021	58.5
107.04933	9.9
107.08567	54.3
108.76723	4.2
109.06514	25.4
109.10152	18.0
111.04424	12.4
111.08074	18.2
112.48934	3.5
113.05990	6.4
115.03916	6.2
117.07001	14.4
119.08562	54.4
121.06476	10.9
121.10095	34.3
123.08065	12.8
123.11719	7.0
125.05968	6.7
125.09619	4.6
127.07481	4.0
128.06230	5.4
129.06970	16.6
129.07846	4.3
131.08513	25.4
133.04955	5.1
133.06453	6.9
133.10121	36.5
135.07980	6.2
135.11679	14.3
137.05991	5.6
137.09641	5.8
139.07535	12.3
141.06958	5.8
142.07854	5.8
143.08528	13.2
145.10135	21.9
147.08044	10.0
147.11653	38.9
149.09621	13.3
149.13258	8.9
151.07524	5.3
151.11169	12.2
153.12650	6.3
157.10104	26.7
159.11653	15.5
161.09631	9.7
163.11244	4.9
165.07080	4.9
165.12747	15.5
173.09560	6.7
175.11182	28.7
177.12665	10.1
185.13322	5.0
193.12209	68.0
201.12819	10.5
203.14322	8.7
211.13290	28.4
213.12729	6.2
219.13811	23.5
229.14415	5.1
231.13753	22.0
237.14883	7.1
249.14835	29.4
267.16025	24.8
285.03839	8.1
285.11298	9.0
285.16962	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.5
51.14976	1.5
51.59404	1.2
52.93205	1.2
53.03930	6.0
55.01858	4.5
55.05507	29.6
57.03431	52.8
59.04972	1.7
65.03902	2.4
67.05138	2.5
67.05495	45.5
69.03413	5.4
69.06809	1.1
69.07063	12.6
69.47449	14.3
71.04982	11.7
74.49541	1.3
79.05486	44.1
81.03409	100.0
81.07047	51.7
83.04973	22.4
83.08613	33.7
85.02895	76.7
85.06548	3.9
91.05469	56.2
93.07034	29.9
95.04953	46.2
95.08591	21.8
97.02870	3.8
97.06496	9.8
97.10153	3.5
105.07018	39.5
107.04921	7.0
107.08575	15.2
109.06511	8.4
109.10152	7.4
111.04440	4.3
111.08065	19.1
113.06003	8.3
115.05446	3.3
117.06993	5.0
119.08566	32.0
121.10129	17.4
123.08051	6.3
123.11686	4.6
129.06985	15.3
131.08551	18.8
133.06560	3.4
133.10095	17.9
137.09598	3.3
142.07748	4.5
144.66418	1.6
145.10118	3.7
147.08029	5.6
147.11671	30.1
149.09575	8.9
157.10097	24.1
159.70998	1.3
161.06053	1.3
163.11107	2.7
165.07010	2.2
165.12717	5.5
169.02176	1.3
175.11157	29.2
181.04897	2.0
193.12224	77.8
211.13271	47.1
225.09128	3.3
229.14354	1.9
253.08617	3.4
257.08124	1.6
267.15988	4.5
285.04068	1.7
285.07614	3.1
285.11774	2.4
285.16937	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	285.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01850	4.8
55.05501	18.6
57.03429	30.1
63.20989	1.2
65.03916	1.7
67.05495	24.9
68.99762	3.6
69.03403	5.6
69.07056	6.6
70.09862	7.8
71.01296	1.7
71.04981	6.2
76.05531	1.2
79.05479	25.2
79.83560	1.2
81.03403	100.0
81.07043	31.0
82.70528	1.4
83.04966	15.8
83.08104	1.7
83.08603	33.1
85.02887	47.4
85.06519	2.7
91.05461	35.7
93.07025	18.8
95.04957	39.0
95.08602	11.4
97.02858	5.0
97.06506	5.3
97.10140	3.8
98.21374	1.6
99.29672	1.3
105.07003	24.3
107.04937	6.6
107.08570	7.2
109.06485	5.6
109.10129	3.1
111.04411	3.8
111.08060	17.2
113.05983	4.6
115.05413	2.5
117.06960	1.3
119.08552	21.1
121.06461	1.7
121.10122	11.8
123.08056	3.8
123.11678	2.6
125.09648	1.4
127.07562	1.9
129.06984	12.2
131.08542	13.8
133.06496	2.4
133.10094	11.7
137.09576	2.7
141.06970	1.3
142.07756	4.9
143.75410	1.4
145.10094	2.1
147.08084	3.1
147.11665	19.4
149.09544	8.8
153.06978	1.6
155.08533	4.0
157.10106	16.1
161.05913	2.1
165.06982	4.6
165.12698	6.5
169.06561	2.0
175.11165	21.0
183.08078	2.2
187.03983	1.4
193.12213	73.8
197.77853	1.3
211.07515	4.6
211.13260	37.9
211.15182	2.9
215.06828	1.8
221.05974	1.9
225.09033	1.9
229.14285	3.7
239.06972	5.1
249.05650	1.9
256.03732	1.4
257.08026	22.6
267.06570	1.6
267.15836	7.2
271.06088	2.2
285.07516	7.5
285.10379	1.7
285.11890	1.3
285.16968	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	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.2
55.01848	3.4
55.05499	12.5
57.03426	12.9
57.07049	2.1
62.88900	1.4
65.03901	1.3
67.05496	32.0
69.03403	3.7
69.07061	9.4
70.06239	2.0
70.06651	5.1
71.04982	14.4
77.79771	1.3
79.05481	26.0
81.03404	100.0
81.07045	38.4
83.04976	10.1
83.08601	25.3
85.02898	16.0
85.06528	8.2
87.04438	3.2
90.20982	1.3
91.05469	22.7
93.07028	16.7
95.04958	28.4
95.08580	19.7
97.02874	2.0
97.06509	5.6
97.10168	2.3
99.08064	3.2
105.07010	19.7
107.04941	4.2
107.08560	10.3
109.06489	5.1
109.10145	9.7
111.04399	3.2
111.08071	13.2
113.05943	1.5
119.08568	18.1
121.06546	1.8
121.10116	22.2
123.08057	3.0
123.11691	5.1
129.06979	7.9
131.08546	8.9
133.06485	3.8
133.10085	10.0
135.11661	5.3
142.07762	2.1
145.10080	1.8
147.07979	3.4
147.11662	12.2
149.09599	4.7
151.11073	1.3
157.10100	13.3
165.12718	3.6
175.11168	13.5
193.12206	53.3
199.14798	1.6
203.17967	5.3
210.06755	1.5
211.13257	18.2
221.06009	3.1
221.18933	2.7
225.09045	3.1
239.20004	5.5
253.08565	6.3
267.15878	9.4
285.07770	2.8
285.11493	4.5
285.17047	14.3
285.20337	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
55.01861	6.7
55.05507	34.5
57.03163	3.4
57.03434	58.4
65.03919	1.9
67.05497	39.0
69.03409	6.3
69.07062	11.0
70.06580	2.2
71.04978	12.9
71.71031	2.8
74.52534	1.6
77.94084	1.5
79.05489	40.4
81.03410	100.0
81.07050	53.4
83.04971	19.6
83.08611	40.5
85.02895	92.5
85.06516	4.5
91.05469	51.7
92.84145	1.5
93.07034	28.7
95.04395	3.3
95.04958	39.6
95.05571	2.0
95.08587	18.4
97.02876	4.1
97.06509	6.9
97.10122	3.8
105.07017	33.7
107.04958	10.8
107.08589	11.9
109.06517	8.0
109.10163	6.0
111.04453	4.9
111.08067	19.1
113.05991	8.0
115.05447	3.7
117.06965	1.6
119.08575	33.3
121.06506	3.7
121.10130	15.6
123.08044	4.1
123.11713	3.9
125.09585	2.3
129.06989	16.2
131.08563	15.2
133.06508	4.7
133.10118	12.6
137.09599	2.5
142.07727	4.5
145.10080	2.0
147.08046	5.8
147.11661	30.0
149.09605	12.9
157.10115	21.5
159.11694	2.5
165.06949	2.6
165.12727	7.1
175.11169	27.7
181.04883	4.7
193.12228	97.6
211.13269	75.9
225.09009	2.9
229.12100	2.6
229.14288	2.4
253.08670	4.2
285.11499	5.5
285.16968	52.3
285.22101	3.0
285.25311	8.7
285.29565	2.0
286.16931	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.4
55.01855	5.7
55.05268	2.3
55.05502	27.2
57.03432	60.3
57.07043	3.6
65.03934	3.0
67.05496	43.1
69.03417	4.9
69.07056	15.3
71.04974	14.6
79.05485	43.5
81.03405	94.2
81.07047	55.1
83.04969	23.8
83.08161	2.8
83.08611	36.1
85.02895	97.0
85.06526	4.7
91.04926	3.7
91.05466	61.5
92.97398	1.9
93.07033	32.9
94.02903	1.8
95.04399	3.2
95.04957	50.7
95.08596	19.8
97.02845	7.5
97.06492	6.3
97.10139	3.2
98.20592	2.8
105.07024	42.7
107.04958	8.9
107.08588	14.7
109.06534	8.9
109.10126	6.7
111.04430	4.3
111.08063	23.0
113.05966	8.4
115.05444	3.1
117.06992	2.4
119.08556	37.5
121.10140	20.6
123.08050	5.2
123.11674	4.3
127.07486	2.3
129.06969	17.7
131.07782	1.9
131.08572	17.6
132.89372	1.9
133.06445	2.4
133.10115	20.8
133.25436	2.0
137.09575	6.2
142.07733	3.5
145.10085	5.3
147.07996	4.5
147.11673	34.2
149.09544	9.2
157.10089	28.3
158.64610	2.0
163.11136	2.1
165.12740	5.0
175.11162	30.8
181.04910	5.7
193.12222	100.0
211.13272	69.1
229.29022	2.1
285.16895	67.7
285.21771	3.7
285.29593	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78791	5.6
53.03934	5.4
55.01865	6.6
55.05497	29.3
55.20132	4.7
57.03428	64.3
60.16817	4.2
67.05500	53.5
69.07050	16.7
70.39227	18.8
71.04975	14.2
79.05482	39.3
81.03406	96.9
81.07044	54.5
81.23920	4.3
83.04952	23.9
83.08599	39.7
85.02892	100.0
85.06541	5.4
91.05455	64.2
93.07034	31.2
95.04949	40.6
95.08591	23.1
97.73197	4.3
98.21357	5.4
105.07012	36.5
107.04924	8.0
107.08565	13.4
109.06510	11.5
109.10146	5.0
111.08078	21.9
113.06011	7.9
119.08549	41.4
121.10118	19.5
123.08040	5.8
123.11712	6.6
129.07019	17.4
131.08571	14.1
133.06488	6.0
133.10094	22.3
142.07796	4.6
147.07988	5.9
147.11647	30.2
149.09602	10.8
157.10112	32.2
175.11147	28.6
181.04895	15.2
193.12213	97.0
198.24768	5.1
211.13278	58.5
285.16788	52.6
285.29904	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	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.6
55.01845	6.8
55.05495	38.0
57.03428	57.9
57.63099	2.9
59.04957	3.8
67.05490	55.7
69.03419	7.6
69.07050	16.7
69.58675	27.6
71.04981	15.8
71.45778	2.9
79.05479	52.5
81.02942	5.6
81.03406	100.0
81.07039	66.9
83.04965	21.6
83.08599	37.7
85.02894	94.5
85.06519	6.0
91.05468	66.5
93.07027	38.3
95.04951	41.4
95.08592	35.4
97.02837	5.1
97.06490	11.4
105.07013	50.0
107.04929	11.3
107.08558	15.3
109.06485	11.2
109.10128	9.8
111.04418	5.2
111.08057	20.4
113.05976	8.1
115.05465	3.2
119.08563	37.0
121.10132	26.8
123.08064	6.0
123.11709	6.8
129.06984	19.1
131.08511	25.6
133.06433	4.1
133.10115	24.4
137.09587	3.4
145.10086	3.7
146.75612	3.0
147.07985	7.7
147.11671	31.9
149.09572	8.0
155.08577	3.9
157.10101	25.4
165.06940	7.8
165.12698	9.1
175.11134	27.2
178.96745	3.0
189.16374	2.8
193.06416	3.0
193.12207	91.8
194.12604	4.2
199.14816	5.5
201.97621	3.4
203.18031	2.7
210.06674	4.2
211.13248	55.5
221.06003	5.3
225.09064	11.4
253.08537	12.0
258.05307	4.9
285.07721	4.0
285.11267	9.8
285.16922	61.6
285.21906	6.1
286.04706	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	286.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.8
56.96555	3.7
57.03415	2.8
57.03685	0.7
57.04539	1.1
57.07064	1.3
61.02899	1.8
67.05476	1.8
69.03425	5.7
70.06582	33.1
70.08807	1.6
70.09200	3.9
71.01333	1.2
71.04981	0.8
72.08146	2.2
73.02891	2.7
79.05482	1.2
79.11246	0.8
81.03410	5.0
81.07035	1.9
82.04074	1.7
82.06537	0.9
83.06078	0.7
84.08119	1.7
85.02897	6.1
85.06522	1.1
85.62671	0.6
85.72009	0.8
87.04442	1.2
91.05472	1.8
93.07029	1.1
94.04058	1.4
95.04970	2.1
95.06057	1.8
96.04446	1.0
97.02886	4.0
98.97569	3.1
98.98483	0.9
103.05401	0.8
106.06522	12.0
109.05109	13.0
110.03502	2.6
110.07148	5.6
111.04414	2.0
111.06662	0.9
112.05100	4.0
112.07585	25.3
116.07058	2.0
116.98597	3.0
119.01919	1.8
119.03506	2.1
119.04857	0.9
121.05074	1.7
121.06493	2.8
123.04425	2.5
124.03912	3.3
124.04753	0.8
124.07573	19.4
124.08437	1.6
125.04492	1.3
125.06982	1.4
126.05367	1.0
126.07747	28.5
127.03951	0.8
127.06136	6.4
128.04501	1.0
128.98552	1.0
130.18887	0.8
133.03487	1.0
133.04919	1.1
134.99698	1.6
136.06166	13.8
137.04562	38.1
138.07721	6.4
140.07047	14.5
143.01897	1.1
149.01241	0.9
149.05945	1.3
150.07721	1.6
151.06111	1.4
151.07455	0.9
152.05653	1.4
154.07211	100.0
155.05606	1.8
157.09715	1.5
158.99643	1.1
161.01253	1.0
161.02965	2.4
161.04562	1.2
163.12308	2.6
166.07253	1.7
168.08817	1.4
174.04324	1.3
175.04446	1.0
177.00661	1.3
178.07219	1.1
185.09242	2.3
186.04398	1.4
186.07852	0.8
196.06616	1.0
196.08279	2.2
199.16167	1.0
204.05461	1.1
204.08769	1.8
208.14496	1.0
221.05092	2.4
226.09303	1.6
226.42261	0.8
232.08351	1.1
250.09238	1.5
254.14973	1.5
258.11890	2.0
268.10159	3.8
286.11349	24.4
286.17612	4.7
287.05756	1.1
287.10922	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	286.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
53.13893	0.5
55.01863	2.4
55.05518	1.2
56.05016	0.4
56.96556	14.0
57.03431	2.5
61.02917	3.5
65.03925	0.8
67.05494	1.8
68.05042	0.5
69.03419	9.4
70.06590	4.3
70.98115	1.6
71.01339	0.8
71.02084	1.4
71.04984	1.0
71.67992	0.4
71.95270	0.9
72.08140	1.3
73.02919	2.7
73.06583	0.4
74.97575	0.4
75.04472	0.5
75.16226	0.4
77.00931	0.5
79.05477	5.9
81.03404	10.2
81.07048	2.6
82.03745	1.2
82.06569	0.7
83.04983	1.9
84.04500	0.5
84.08145	3.0
84.96028	1.7
85.02380	0.9
85.02894	15.9
85.06513	0.5
86.06043	1.1
86.09677	1.1
87.04447	3.3
88.99158	1.0
91.03949	1.3
91.05468	5.7
93.07036	1.8
95.04951	5.0
95.08614	0.5
96.04466	0.5
96.05283	0.5
97.02878	8.5
97.06499	1.1
98.06059	1.5
98.97557	4.7
99.04446	1.3
99.63770	0.5
101.00860	1.2
102.97015	0.6
103.05461	0.9
105.07001	0.9
106.06541	10.7
107.04966	3.2
107.07356	0.6
108.08109	1.8
109.02877	2.5
109.06490	2.7
110.06017	0.7
110.07210	0.6
110.97594	0.6
111.04429	2.7
113.00857	0.7
115.02412	0.6
115.03898	0.4
116.07077	1.8
116.98609	3.6
117.02067	0.5
117.03990	0.6
119.01898	5.1
119.04929	2.6
120.02022	1.4
120.97960	0.6
121.01634	3.1
121.06491	9.2
122.06028	0.8
122.06788	2.0
123.04413	3.7
124.07576	100.0
125.05993	0.6
125.07916	1.3
127.03908	4.0
128.98593	1.9
129.02011	0.5
129.10188	0.7
130.93221	0.7
131.00185	0.7
131.01868	3.2
131.04942	1.6
132.02026	0.7
133.01640	1.6
133.03455	1.3
133.06491	0.7
134.03575	0.8
134.06006	1.3
134.99638	4.0
135.04361	2.3
136.04630	0.6
136.06134	0.5
136.07538	1.1
137.02905	2.1
137.04472	0.6
137.05933	2.0
138.06305	0.5
139.02686	0.6
139.03859	0.5
140.02347	0.5
140.98622	0.6
143.00133	0.7
143.01889	1.4
144.99806	0.6
145.01616	0.5
145.03459	1.6
145.04942	2.6
146.99583	2.2
147.01379	0.6
147.03264	0.6
147.04207	2.1
149.02914	1.5
149.05957	12.7
150.06351	3.0
152.05655	7.1
152.07042	1.4
153.03983	1.0
153.05176	0.5
153.06052	1.4
154.06107	2.2
154.07352	2.3
154.08420	0.8
154.94167	0.7
155.01872	1.4
155.04549	0.7
157.01639	0.6
157.03516	0.8
158.03638	0.8
158.99615	2.1
159.03151	0.6
160.97552	0.5
161.01225	1.2
161.02905	3.3
161.04703	0.9
162.03096	0.6
162.99190	1.0
163.02699	1.8
164.07050	0.6
165.00700	1.2
165.04124	0.5
165.05464	1.6
166.08621	1.4
167.05685	0.7
167.07025	1.0
168.03676	0.6
168.05402	1.3
169.03365	1.3
170.03610	0.6
170.05115	1.4
171.03264	0.6
171.04987	1.5
172.05191	0.7
172.95285	2.2
172.97597	0.7
172.99277	0.4
173.01326	0.9
173.02939	2.5
173.04521	0.6
174.03020	0.6
174.04327	0.6
174.99171	0.7
175.02754	1.1
175.04424	0.8
176.05096	0.6
177.00818	3.3
177.02425	1.4
177.04158	1.8
177.05917	2.9
179.00684	1.4
181.03416	2.4
181.04819	0.5
183.01591	0.5
183.03316	0.5
183.04982	1.7
183.06436	0.8
184.05046	0.5
185.01166	0.8
185.02908	1.3
185.04581	0.6
185.09155	1.8
186.04442	0.8
186.06349	0.9
187.02689	1.0
187.04510	0.6
189.00716	1.4
189.02316	0.9
189.04233	0.6
189.05928	0.6
190.95203	0.5
190.96400	0.9
190.98608	2.8
191.00208	0.6
191.02213	1.0
191.03841	0.6
193.00134	1.1
193.01784	0.9
193.03510	0.9
195.03398	1.0
195.05064	1.0
195.53766	1.0
196.05171	0.5
196.06822	0.6
197.01169	0.6
197.02910	0.8
197.06667	0.9
198.03058	0.9
199.02621	1.1
199.04483	3.3
201.04245	0.7
203.03960	0.8
204.05379	1.1
205.00079	0.7
205.03668	0.9
205.07243	0.6
206.98019	0.7
208.05296	0.5
208.09656	1.0
208.96333	0.6
208.99609	1.0
211.02747	0.8
211.04552	1.0
212.55560	0.4
213.00700	0.9
213.04234	0.9
215.07619	0.6
217.03664	0.6
219.01776	1.8
219.05159	0.7
220.02057	0.7
221.01727	1.3
221.04988	1.9
223.01120	1.0
223.04472	1.5
224.02261	0.6
224.04663	0.9
226.04097	0.7
226.06142	0.6
226.10628	1.0
227.00360	1.2
232.09694	0.5
232.96353	1.2
232.99570	1.4
235.04581	0.5
237.00525	0.5
237.02707	1.8
237.28773	0.5
239.02165	0.5
240.10101	0.8
241.05641	0.6
242.05424	0.8
245.01497	1.1
245.05168	0.7
250.10756	3.6
250.97420	0.5
253.05537	0.6
254.05676	0.9
254.10110	1.4
263.00790	0.6
263.02853	5.2
268.11926	2.1
278.12286	1.2
281.01846	1.0
283.06598	1.0
284.06570	1.4
285.06482	1.1
286.08322	1.7
286.12729	14.2
287.05515	2.1
287.09601	0.9
287.12930	0.5
303.98767	1.2
304.04752	0.5
305.07327	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.2
55.01861	0.2
55.05495	0.2
63.63476	0.1
64.92730	0.1
65.03925	0.4
67.01833	0.4
67.05480	0.6
68.99780	2.1
69.03415	0.3
69.07041	0.2
71.01351	0.1
71.15601	0.4
77.03975	0.1
79.05482	1.0
81.03394	0.5
81.07033	0.6
86.31540	0.2
91.05460	0.5
93.07009	0.2
95.04962	0.5
95.08570	0.4
97.02873	0.2
103.05443	0.2
105.03371	0.9
105.07011	0.3
107.04941	1.4
109.02853	0.6
109.10137	0.2
111.00782	1.5
111.04408	0.6
115.05437	0.2
117.07034	0.2
119.04918	0.2
119.08519	0.2
121.02849	6.6
121.03767	0.3
121.10094	0.2
123.04445	0.2
123.11700	0.2
127.03905	0.4
129.06956	0.3
130.18045	0.1
131.08522	0.2
133.02855	0.9
134.90015	0.1
135.04381	0.6
137.02321	2.0
139.05453	0.2
141.07018	0.4
145.06464	0.6
147.04393	1.2
153.01801	10.3
154.02119	0.2
157.06468	1.3
161.05951	0.3
164.07062	0.2
165.01820	4.0
169.06413	0.2
171.02972	0.3
171.04407	0.5
175.03946	0.1
175.07495	0.1
183.02861	1.7
185.05943	1.3
189.05429	0.4
197.05942	0.3
203.03302	0.2
203.06993	0.3
212.04807	0.2
213.05446	3.1
214.05890	0.2
223.07495	0.2
229.05013	0.3
231.06482	1.3
241.04916	1.4
241.08563	0.2
242.05724	0.1
243.06337	0.2
251.06958	0.2
253.83000	0.2
258.05243	2.2
259.05966	0.9
269.04388	0.5
269.07925	0.2
269.12814	0.4
287.05447	100.0
288.05786	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	287.0536
Annotation	Luteolin
Peak:m/z	Relative Intensity
60.37936	0.1
67.01498	0.1
67.01856	1.7
68.99780	1.6
69.03398	0.1
71.49691	0.2
72.70602	0.1
79.05477	0.3
80.96069	0.1
81.03397	0.2
81.07027	0.1
85.02879	0.1
89.03902	0.8
95.04920	0.1
95.08550	0.1
97.02892	0.1
107.04924	0.4
109.02854	0.1
111.00813	0.2
111.04441	0.1
117.03360	0.9
125.02328	0.2
128.06165	0.1
129.01845	0.4
129.06973	0.2
135.04390	4.7
137.02306	1.2
145.06564	0.1
153.01804	12.0
154.02101	0.2
155.85153	0.1
157.06479	0.3
161.02303	1.2
168.84219	0.1
171.02876	1.3
171.04330	0.2
173.06015	0.1
177.31387	0.1
179.03394	0.7
180.81319	0.1
185.05914	0.4
195.04370	0.1
201.05409	0.1
203.03378	0.2
207.51433	0.1
213.05438	0.5
217.04907	0.1
219.06506	0.2
223.04108	0.1
227.03423	0.1
231.06448	0.3
241.04921	1.4
245.04388	0.2
259.06030	0.2
260.09048	0.1
263.05420	0.2
269.04446	0.8
270.04901	0.1
286.04556	0.1
287.05450	100.0
288.05756	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	287.0538
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03930	0.2
55.01862	0.3
55.05486	0.5
55.84138	0.2
57.03409	0.3
63.00003	0.2
65.03902	0.2
66.95567	0.2
67.01853	2.2
67.05488	1.4
68.99447	0.2
68.99777	2.2
69.03401	0.6
69.07042	0.5
70.06581	1.0
71.04961	0.4
71.58113	0.3
74.06049	0.5
79.05473	1.1
81.03391	0.4
81.07046	1.5
83.04966	0.3
83.08587	0.3
84.08115	0.2
85.02882	0.4
85.06522	0.4
86.06034	0.6
86.09689	0.4
89.03892	0.7
89.39312	0.2
91.05460	0.7
93.07015	0.7
95.04939	0.6
95.08623	0.8
97.02851	0.4
97.06506	0.4
98.98450	0.2
99.04424	0.3
105.06992	0.4
107.04924	0.4
107.08566	0.4
109.02853	0.3
109.06484	0.3
109.10103	0.2
110.05950	0.2
111.00786	0.3
111.04430	0.5
115.05407	0.2
115.07485	0.2
117.03364	0.8
117.06961	0.3
119.04919	0.2
119.08557	0.5
121.06504	0.2
121.10122	0.5
123.08021	0.2
124.11301	0.2
125.02303	0.4
125.05962	0.2
125.09576	0.3
127.03867	0.3
128.07040	0.6
128.08113	0.3
129.01799	0.5
129.06953	0.3
131.04910	0.2
131.08522	0.3
132.10158	0.2
133.06276	0.1
133.10081	0.3
135.04393	4.9
135.11665	0.3
137.02318	1.8
139.05356	0.2
144.06551	0.2
145.06462	0.2
145.10106	0.3
147.04317	0.2
147.11623	0.3
149.05992	0.3
153.01796	11.8
153.13792	0.3
157.06473	0.3
157.10063	0.2
161.02287	2.3
161.05977	0.2
161.13202	0.2
163.07539	0.3
167.06039	0.6
169.10027	0.2
171.02863	3.3
171.04362	0.3
171.15608	0.2
174.08713	0.7
179.03377	1.0
181.13321	0.4
182.11864	0.2
185.07127	3.5
195.04317	0.2
197.07121	0.2
201.05345	0.2
203.03371	0.2
211.08611	0.3
213.06656	2.0
223.07393	0.5
227.06870	0.2
227.13950	0.3
231.06418	0.2
241.04916	1.6
241.09970	0.2
245.04555	0.3
245.08090	0.2
259.05640	0.3
263.05569	0.2
269.04410	1.1
269.09131	0.6
269.12347	0.2
269.15146	0.5
287.05444	100.0
287.09930	3.7
287.16669	1.5
288.05795	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	287.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.2
53.79228	0.2
55.01853	0.4
55.05507	0.2
58.23000	0.2
65.03921	0.4
67.01858	0.4
67.05491	1.0
68.99780	2.4
69.03412	0.4
69.07056	0.2
70.58783	0.3
71.04975	0.2
71.55769	0.2
77.47565	0.2
79.05489	1.1
81.03390	0.2
81.07028	0.7
83.08604	0.2
85.06547	0.2
91.05454	0.4
93.06976	0.3
95.04948	0.5
95.08598	0.4
97.06498	0.3
98.20752	0.2
99.08049	0.2
103.05420	0.5
105.03392	1.0
105.07028	0.3
107.04948	1.5
107.08566	0.3
109.02840	0.5
109.06453	0.2
109.10149	0.2
111.00794	1.4
111.04412	0.5
117.07004	0.2
121.02847	6.6
121.03779	0.3
121.10094	0.3
123.08018	0.2
123.75993	0.2
127.03870	0.4
129.06944	0.4
131.08563	0.3
133.02823	1.1
133.10062	0.3
135.04376	0.5
135.08054	0.2
136.07480	0.2
137.02307	2.3
141.07011	0.2
145.06432	0.7
145.10048	0.2
145.51775	0.2
147.04388	1.8
153.01805	10.8
154.02190	0.2
157.06477	1.3
161.05959	0.5
165.01825	3.3
171.03090	0.2
171.04419	0.7
175.03934	0.3
177.08670	0.2
183.02881	1.7
184.05147	0.2
185.05904	1.1
189.05424	0.4
197.05971	0.4
199.03787	0.2
203.07057	0.4
213.05431	3.1
229.04985	0.5
231.06450	1.2
241.04921	1.6
243.06522	0.3
258.05231	2.1
259.06033	0.8
269.04514	0.4
269.12628	0.4
287.05450	100.0
288.02774	0.4
288.05783	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	287.0546
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.08451	0.1
53.03939	0.1
67.01853	1.9
67.05481	0.2
68.99406	0.1
68.99775	1.5
69.03408	0.1
69.07063	0.1
71.15112	0.2
79.05483	0.5
81.03422	0.1
81.07043	0.3
83.04973	0.1
85.02862	0.1
89.03914	0.8
91.05461	0.2
93.07031	0.2
95.04948	0.2
95.08583	0.2
97.02855	0.1
97.06493	0.1
105.06994	0.2
107.04929	0.3
107.08555	0.2
109.02862	0.1
109.10162	0.1
111.00766	0.3
111.04430	0.2
115.05418	0.1
117.03361	0.8
119.08553	0.2
121.10157	0.2
121.35561	0.1
123.04389	0.1
125.02316	0.1
127.03839	0.1
129.01851	0.4
129.06981	0.2
133.10071	0.1
135.04391	5.0
135.11703	0.1
136.04756	0.1
137.02324	1.2
139.05406	0.1
143.08513	0.1
145.10136	0.1
147.04404	0.1
151.73592	0.1
153.01804	12.6
154.02098	0.1
156.33321	0.1
157.06499	0.2
157.10089	0.1
159.11598	0.1
161.02332	1.4
161.05980	0.1
171.01472	0.1
171.02895	1.3
171.04352	0.2
171.11717	0.1
173.05960	0.1
179.03400	0.6
185.05931	0.4
185.13235	0.1
189.05428	0.1
199.03899	0.1
201.05367	0.1
201.16347	0.1
203.03346	0.3
205.34161	0.1
213.05466	0.6
213.16394	0.1
214.12184	0.1
217.04886	0.1
219.06416	0.1
227.03394	0.1
227.07213	0.1
231.06439	0.2
241.04919	1.4
242.05635	0.1
244.03740	0.1
245.04425	0.3
258.05206	0.2
259.05945	0.2
263.05566	0.1
269.04391	0.9
269.07126	0.1
269.12811	0.3
270.05139	0.1
287.05450	100.0
288.05792	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.05508	2.6
56.96542	6.6
57.03423	2.1
57.79060	1.0
61.02912	1.7
63.00021	2.0
64.92773	1.5
67.05489	1.1
69.03400	5.1
69.34969	12.3
70.06582	18.0
71.04961	1.4
71.06904	4.0
72.08134	4.0
73.02908	2.0
74.06057	2.0
80.52870	1.2
81.03400	7.6
81.07021	1.9
82.06551	1.2
83.04967	1.5
84.04498	1.7
84.08120	2.8
85.02891	4.9
85.06493	1.9
86.09679	1.2
87.04414	1.3
91.05452	2.5
93.07023	1.4
95.04945	3.0
95.08613	1.2
97.02853	3.5
98.05984	1.1
98.97568	4.1
98.98449	1.6
101.00845	2.3
102.96867	1.1
107.04874	2.2
107.06073	1.1
109.05083	2.2
110.07185	2.7
111.04425	1.2
111.07494	1.3
112.07588	9.3
112.08742	1.1
113.07933	6.3
116.98643	4.9
119.01893	11.7
119.04951	1.0
123.04408	1.1
125.07082	1.5
126.05495	2.7
126.07717	2.3
127.03876	2.1
127.06132	1.8
130.08633	2.3
130.93405	1.1
131.01880	2.4
133.01692	1.0
134.99629	2.1
137.02919	1.6
137.04596	2.3
138.04947	2.5
140.07014	3.9
141.07361	3.6
143.01880	15.2
143.03386	2.4
146.99667	1.9
149.05956	1.4
153.00772	1.0
153.01889	2.0
154.07230	4.7
155.04634	1.3
155.07507	4.0
156.08775	2.0
158.99629	2.0
161.02930	29.0
164.07063	1.2
164.12656	1.2
173.02844	1.5
174.04366	2.5
177.00725	1.7
177.04265	1.3
184.04579	2.3
186.04381	3.0
197.06599	1.2
203.03960	2.5
204.05438	3.9
219.01765	2.7
221.05017	6.0
227.07112	1.1
231.05556	1.3
237.02808	1.9
287.05496	11.6
287.10968	100.0
288.11111	2.6
288.20227	1.3
306.63654	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
54.25188	2.7
55.01857	8.7
55.05499	31.5
57.03407	10.0
57.07050	4.0
58.79235	3.5
61.02896	9.4
65.03874	3.0
67.05489	43.0
69.03409	28.6
69.07052	41.3
70.85491	6.2
70.85862	6.8
71.01328	3.5
71.04981	13.4
71.99758	3.0
79.05467	26.6
81.03379	18.0
81.07042	100.0
83.04964	17.1
83.08604	29.6
85.02871	7.5
85.06530	30.8
87.04446	6.8
91.03925	6.0
91.05467	24.3
92.12265	3.0
93.07019	55.6
95.04961	25.0
95.08585	67.0
97.02866	10.3
97.06516	19.8
97.10137	5.9
99.04432	5.8
99.08073	67.3
105.07011	38.1
107.08579	32.4
108.56240	3.1
109.02877	8.0
109.06513	17.2
109.10132	28.5
111.04417	36.7
111.08078	14.5
111.11708	8.2
117.07005	7.1
119.08566	25.8
121.06475	10.1
121.10136	26.6
123.08059	11.0
123.11672	18.6
125.05922	4.4
125.09554	4.5
127.03891	6.8
127.07529	6.5
131.08531	9.8
133.10114	12.8
135.08044	10.6
135.11681	23.6
136.07582	15.2
137.05954	10.1
137.09581	7.6
139.07503	10.3
143.08502	6.5
145.10071	12.8
147.07999	3.8
147.11659	9.8
149.09610	5.8
149.13252	16.9
153.12703	20.9
155.07050	7.2
157.10043	3.9
159.08052	6.0
159.11641	13.1
161.13203	17.9
163.07477	4.7
164.07016	8.6
165.09041	3.9
165.12775	6.1
171.11548	3.3
173.08064	7.4
173.13242	6.3
175.09621	4.2
175.11148	4.4
177.09108	3.8
177.12733	8.5
179.14330	14.7
187.14737	6.1
191.17915	4.3
195.13695	6.9
197.13199	3.4
197.15401	3.3
205.15776	3.6
209.18874	3.6
215.14320	14.0
221.15335	8.4
233.15300	17.0
233.19179	3.2
239.16444	5.2
251.16364	27.8
251.20091	2.8
269.17474	26.0
287.05444	29.4
287.08765	7.1
287.18585	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.3
55.01867	3.3
55.05500	12.7
57.07057	2.4
58.07640	1.8
65.03906	1.8
67.01845	1.8
67.05494	37.2
68.99779	2.9
69.03426	3.0
69.07053	20.9
71.04974	7.9
71.69939	1.9
71.70331	2.8
79.05474	18.8
81.03393	3.5
81.06554	2.3
81.07040	42.9
83.04964	4.6
83.08592	8.3
85.02872	2.1
85.06512	4.7
86.42265	1.9
87.69511	1.8
91.05463	16.5
93.07019	27.7
93.07565	2.0
95.04944	6.7
95.08590	39.9
95.09193	2.5
97.02879	2.2
97.06512	9.3
97.10159	7.4
99.08034	2.3
103.05458	4.5
105.07007	24.6
107.04932	2.0
107.08588	18.4
109.02891	2.3
109.06498	5.4
109.10133	22.6
111.04411	2.2
111.08055	2.4
113.09630	3.0
115.05405	2.0
117.06996	3.7
119.08541	20.6
121.06498	5.1
121.10122	17.5
123.04420	8.7
123.08002	3.4
123.11691	8.3
124.07549	2.0
125.09582	3.0
128.06233	2.6
129.06981	4.6
131.04927	2.7
131.08534	15.9
133.10106	16.0
135.04407	5.3
135.08035	7.2
135.11652	9.3
136.07568	8.7
137.02312	3.9
137.05931	3.4
137.09621	6.0
137.13223	3.5
141.07007	1.9
141.09125	2.1
142.07774	3.0
143.08542	5.5
145.06450	1.8
145.10083	14.0
147.07985	2.2
147.11638	10.1
149.05907	3.4
149.13264	6.4
151.11166	4.1
153.01799	11.4
156.09319	2.8
157.10124	11.3
159.08025	2.6
159.11671	14.5
161.05887	2.2
161.09613	3.1
161.13237	6.8
163.11139	4.3
163.14810	2.3
164.07085	6.7
165.05489	5.1
165.06915	3.6
167.08556	2.4
169.10104	2.6
171.11684	4.6
173.13263	12.5
175.14775	2.8
177.03696	1.8
177.06870	2.2
177.12744	4.4
181.06403	3.8
183.11732	2.1
185.13234	5.8
187.07388	2.0
187.14847	4.0
189.12846	2.5
189.16338	3.9
199.07474	2.0
199.14780	3.6
201.16423	9.2
212.18550	2.1
213.16365	5.8
215.17950	8.6
223.07477	3.2
227.17880	2.8
229.19505	3.6
233.18974	5.0
241.04773	3.2
241.08557	3.4
241.12115	2.7
241.19527	4.6
250.39156	1.9
251.20015	6.3
255.06538	2.0
259.09772	2.9
269.00787	1.7
269.08035	6.8
269.12811	9.6
269.15503	2.9
269.22696	6.1
287.05493	100.0
287.09146	17.6
287.13525	13.1
287.16541	9.9
287.20081	12.5
287.23660	27.2
288.05872	8.3
288.09232	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.4
53.79824	1.4
55.01866	2.7
55.05506	25.7
56.96548	1.8
57.03435	2.4
57.07067	3.1
65.03917	2.4
67.01865	1.8
67.05497	79.4
68.99825	1.8
69.07066	31.7
69.53661	3.8
69.54066	13.4
71.04984	19.7
77.26588	1.5
79.05489	28.4
79.36126	1.6
81.03429	1.7
81.07046	92.9
83.04981	4.8
83.08605	17.9
85.06527	8.8
85.16368	1.6
91.05473	20.6
93.07036	45.3
95.04955	5.0
95.08595	100.0
97.06498	8.6
97.10172	13.5
98.48853	1.5
99.08079	2.2
103.05436	3.4
105.07030	19.0
107.08580	26.6
109.06507	3.9
109.10142	58.0
111.04458	2.1
111.08090	2.5
111.11698	5.1
117.07008	4.3
119.08556	15.3
121.06478	2.4
121.10136	32.5
123.04443	2.8
123.08060	3.3
123.11716	17.0
131.04909	5.3
131.08540	11.4
132.14766	1.8
133.10109	23.8
135.04436	5.3
135.08051	5.0
135.11685	24.9
135.48035	1.7
136.07559	3.6
137.05965	2.1
137.09607	6.8
137.13246	6.9
143.08557	3.0
145.10123	10.6
147.11682	7.0
147.18959	1.7
149.09596	4.1
149.13245	12.0
150.79752	1.6
151.11140	8.8
153.01790	9.1
153.09155	2.1
157.10066	2.7
159.11629	9.2
163.11124	3.4
167.08527	2.1
167.10651	2.4
171.11716	2.2
173.13290	4.9
175.14925	1.9
181.06377	2.0
181.12115	2.2
187.11061	1.6
187.14865	2.6
189.16324	3.4
191.14270	1.6
191.17923	19.0
195.13821	2.6
201.16435	4.4
209.18971	12.5
215.17941	18.4
222.04228	1.5
223.07571	3.9
225.22128	4.8
227.20059	3.9
233.19028	10.0
241.05038	2.2
242.75902	1.7
251.07080	3.4
251.20015	12.5
269.08209	3.6
269.12833	3.9
269.20938	9.0
287.05499	87.1
287.09076	7.4
287.13885	5.6
287.20059	2.6
287.23651	6.6
288.05780	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	287.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01864	3.1
55.05500	18.3
57.03431	2.1
57.07061	2.8
59.04966	1.4
60.92622	1.1
65.03929	1.4
67.01839	1.4
67.05492	47.8
68.99771	3.0
69.03396	2.8
69.07052	15.3
70.99918	2.3
71.04980	13.7
76.62295	1.3
79.05484	20.3
81.03420	3.4
81.07040	60.8
82.03718	2.4
83.04972	2.3
83.08608	14.5
85.06529	7.3
86.09696	1.2
87.04443	1.4
91.05466	13.8
93.07034	28.8
95.04935	3.9
95.08588	48.8
97.06522	7.0
97.10167	6.8
99.04417	1.7
99.08096	1.9
103.05444	2.5
104.62215	1.2
105.07023	11.4
107.04937	2.1
107.08580	18.4
108.08950	1.2
109.02840	1.7
109.06537	1.4
109.10136	30.7
111.08012	2.6
111.11692	2.1
117.06993	3.9
119.08554	11.2
121.02937	2.1
121.06471	2.6
121.10108	20.0
123.04418	2.1
123.08030	2.8
123.11695	10.7
125.09644	2.1
127.07597	1.5
129.05403	1.3
129.06998	2.6
131.08553	7.5
133.06482	3.4
133.10101	14.5
135.04411	3.8
135.08026	1.6
135.11661	14.1
136.07584	1.8
137.02344	2.2
137.05997	2.4
137.09590	3.4
137.13234	4.3
137.29410	1.2
143.08492	2.1
145.10081	7.7
146.50554	1.3
147.04335	1.4
147.11644	5.9
149.05981	1.4
149.09549	2.9
149.13226	7.2
151.11162	3.9
153.01810	10.4
155.08646	2.2
157.10165	2.4
159.08009	1.3
159.11676	7.6
161.13226	1.4
163.07530	1.6
163.11186	2.4
167.10704	1.5
169.10056	1.3
171.08035	1.3
171.11609	1.9
173.13255	3.7
185.13185	1.9
187.14816	2.4
189.16310	2.7
191.17915	7.2
195.13789	1.5
199.14943	1.2
205.06432	1.2
205.19518	3.1
209.19051	3.3
213.05513	2.0
215.17880	9.6
223.07458	1.7
223.20691	1.7
225.22105	2.2
233.18999	7.2
241.04874	2.6
241.21500	1.8
251.20027	7.5
259.05576	4.8
269.08185	2.8
269.21133	5.0
287.05444	100.0
287.08902	5.7
287.13788	6.2
287.16394	2.1
287.19614	2.0
287.23505	5.1
288.05801	6.8
288.08914	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1914
Annotation	Leu-Val-Gly
Peak:m/z	Relative Intensity
53.03949	0.5
55.05505	10.5
56.05028	1.2
57.05810	1.0
62.36871	0.4
69.03413	1.1
69.07043	1.0
70.06585	2.2
71.04978	0.6
71.69344	0.6
72.08142	100.0
73.08464	0.6
74.06064	3.2
79.05489	0.7
81.03395	0.8
81.07057	1.3
84.04520	0.8
84.08141	1.0
85.02859	0.6
85.06546	0.6
86.06056	0.5
86.09691	33.3
91.05490	0.7
93.07077	1.0
95.04949	0.6
98.06033	1.0
105.07026	1.1
107.08603	0.5
109.06493	0.6
109.77331	0.4
111.04400	0.4
112.09563	0.4
116.07090	1.6
118.08640	0.6
119.08577	0.4
124.07578	0.8
126.05531	0.6
127.03905	1.1
129.10205	8.6
132.10184	14.8
133.10153	0.5
143.08533	0.5
143.11765	11.5
144.06572	1.5
146.35106	0.6
147.07838	0.4
157.09700	11.3
157.13286	2.8
171.11258	2.3
183.11725	1.0
183.74161	0.4
185.12878	1.1
189.12323	16.5
201.12776	0.5
229.12245	0.7
235.13202	0.6
243.17075	0.5
271.11185	0.9
288.05945	2.0
288.09888	0.9
288.13391	0.5
288.19962	1.0
289.07239	0.5
289.11810	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.2
55.01851	3.4
55.53224	1.4
56.96550	8.8
57.03419	6.5
58.99849	1.5
61.02920	9.1
61.92823	1.4
67.05482	2.6
69.03420	15.9
70.06570	5.7
70.50271	5.7
70.99844	2.0
71.04958	3.1
72.08142	2.2
73.02902	17.2
75.88478	1.4
77.00906	1.4
79.05479	2.8
81.03387	5.8
81.04504	3.0
83.04951	1.7
84.08126	4.2
85.02889	30.3
86.03201	2.2
87.04435	2.8
89.00752	1.6
91.03916	2.9
91.05447	2.9
93.07026	3.4
95.04941	2.5
97.01419	2.0
97.02879	14.5
98.21365	1.8
98.97564	15.8
99.04443	3.5
101.00871	27.1
103.00575	2.3
103.02444	7.7
103.05437	2.4
104.10802	1.5
105.00214	1.5
105.02203	1.5
106.83649	1.5
107.04931	2.3
109.02856	3.8
109.07615	8.6
111.02970	1.7
111.69048	1.4
113.00853	2.7
115.02457	9.3
116.07057	1.7
116.98602	6.7
117.03947	2.3
119.01903	100.0
120.01986	4.9
121.01602	2.9
121.03485	3.5
121.06493	20.6
122.06832	4.1
123.03062	1.7
126.03388	2.0
127.03894	12.9
127.04994	8.0
127.08653	26.1
128.98607	2.0
129.02939	1.6
129.03920	3.5
131.01878	20.4
131.04837	1.6
133.03439	26.0
134.99657	2.7
135.03192	1.8
135.05037	4.6
137.02940	23.3
140.02409	1.5
142.03506	2.2
143.00177	2.3
143.01881	19.8
144.02011	4.4
144.98016	1.5
144.99777	3.1
145.01584	3.8
145.03432	13.7
145.04921	3.4
146.99583	3.9
147.01373	7.3
147.03964	3.0
147.04985	4.0
149.01184	1.6
149.02876	7.5
149.05946	30.6
150.06311	7.0
151.04489	4.9
153.04031	1.7
155.01863	6.2
155.02953	2.0
156.01997	1.6
157.03438	5.4
158.99615	4.9
159.01273	2.7
161.02930	55.3
162.03078	4.2
162.04411	2.9
162.54527	1.6
163.02679	5.1
163.04472	6.2
165.02463	2.7
167.07095	1.7
168.99805	6.1
170.03358	2.7
170.99724	1.8
171.01335	4.9
173.02927	20.9
174.54549	1.9
175.02684	2.3
175.04469	4.2
177.00745	3.2
177.02388	3.8
177.04123	6.8
179.03873	2.0
182.53406	1.8
183.05000	5.0
184.04539	2.0
185.02930	6.8
186.04625	8.7
187.00858	20.9
187.04459	4.1
189.00677	4.4
189.02406	16.2
190.05864	2.5
191.03926	12.7
192.04498	2.5
196.99266	4.3
197.03064	2.8
198.55603	1.9
199.00856	5.6
200.04367	5.0
201.00679	3.2
201.02440	3.7
201.05177	1.4
203.03961	8.6
205.01883	4.8
207.01665	2.6
207.03416	11.2
207.55215	2.3
213.02400	1.5
215.00345	20.8
215.03792	1.8
216.00655	2.7
217.00208	1.9
217.01956	11.9
217.05391	2.4
219.01627	2.5
219.03465	6.0
221.04997	4.7
223.04678	2.5
229.02040	8.1
231.03529	3.9
233.01329	2.9
237.02776	2.9
245.05003	1.6
247.00755	1.8
247.03008	19.6
248.03085	2.6
249.02701	2.0
251.04317	1.9
257.01337	5.0
263.06015	2.8
264.06116	1.5
265.03845	3.1
270.04477	1.4
289.03931	7.8
289.07550	9.0
289.14099	2.3
289.17767	1.6
290.04178	1.7
295.07172	2.4
307.05109	3.2
312.00610	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.04
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.1
55.01844	1.2
56.96548	2.2
57.03417	2.5
58.99858	1.7
59.88763	0.5
61.02924	3.2
69.03413	5.1
70.06569	1.1
70.99849	0.6
71.04980	0.8
71.12739	1.6
73.02898	3.6
77.00883	1.7
79.05466	0.7
81.03401	2.4
81.04511	1.4
81.07044	1.2
82.99399	0.7
82.99857	1.8
84.08116	1.0
85.02888	6.9
89.00859	0.8
91.03889	0.7
91.05444	1.1
95.01929	0.8
97.02891	4.0
98.97552	3.0
99.04441	1.4
101.00861	20.3
103.02381	1.9
109.02883	1.9
109.07627	3.0
113.00886	1.3
115.02417	12.5
115.03889	0.6
116.02541	0.7
116.98591	2.0
117.03999	1.9
119.01897	100.0
120.01963	3.3
121.01648	2.7
121.03440	0.9
121.06484	2.7
122.06841	0.7
124.02363	0.7
127.02406	0.9
127.03899	5.7
127.05002	2.2
127.08654	9.0
128.98547	1.1
129.03914	4.2
131.01884	10.4
131.08546	0.9
133.03448	27.8
134.03520	1.5
135.04999	1.6
137.02933	27.3
138.03053	0.9
142.03448	3.3
143.01881	16.5
144.99768	3.9
145.03436	4.9
145.04945	1.0
146.99577	2.9
147.01338	3.3
147.05005	5.9
149.02975	4.3
149.05959	4.0
150.06305	0.9
151.04503	6.0
155.01833	2.9
156.05052	0.7
157.03503	3.2
159.01309	1.2
159.04982	0.7
159.91924	0.7
161.02930	59.5
162.03061	2.2
163.00813	0.9
163.02641	1.0
163.04475	2.3
165.02484	1.1
168.99783	6.5
170.03453	0.7
171.01347	6.4
172.91045	0.7
173.01447	1.1
173.02945	10.6
175.00833	1.9
175.04494	3.1
176.06056	0.7
176.56084	1.6
177.00807	0.8
177.02428	1.8
177.04164	2.6
177.05766	0.8
179.02354	1.0
179.03990	3.4
180.99739	0.6
183.11745	0.8
184.04588	3.4
185.02914	3.8
186.04646	2.3
187.00853	20.2
187.04478	1.8
188.01016	0.9
189.00726	1.3
189.02403	15.7
191.03960	9.1
192.04642	0.9
193.01947	1.1
196.99287	3.4
198.54733	1.1
199.00844	5.3
201.02409	3.1
201.12723	0.9
203.04001	2.8
205.01910	7.9
205.03731	1.1
207.03474	5.4
210.02472	1.1
212.04005	0.9
214.05624	0.9
215.00331	24.0
216.00545	1.0
217.01915	16.9
217.03505	0.7
219.01617	0.8
219.03513	4.1
221.05051	0.9
229.01917	4.0
229.12285	1.3
231.03481	2.6
233.01360	3.5
235.02931	1.5
238.01987	2.0
240.03601	1.3
247.02991	20.4
257.01437	1.8
265.04044	5.5
270.04474	1.5
275.00403	1.1
288.05060	0.7
289.04022	5.3
289.07666	2.4
289.14447	1.2
307.05072	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	289.0914
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03920	0.8
55.01862	1.7
55.05493	0.7
56.96558	0.7
57.03418	1.0
61.02919	1.4
65.60240	0.4
67.05504	0.5
69.03414	3.2
69.07048	1.0
70.02942	0.4
70.06570	1.5
70.44771	0.5
71.04972	0.9
71.70375	0.6
72.08146	1.1
73.02903	0.9
74.06074	0.8
79.05466	0.9
81.03399	1.9
81.07038	1.8
83.04944	0.5
84.04476	0.9
84.08129	1.2
85.02895	5.9
85.03984	0.6
86.09704	2.5
87.04437	0.6
90.94806	0.5
91.05470	1.9
93.07025	1.0
94.44110	0.5
95.04964	1.1
95.06031	0.6
95.08581	0.6
96.20507	0.5
97.02886	2.8
98.97569	1.1
98.98452	0.5
99.04436	1.7
103.03897	0.6
105.07020	1.3
107.04891	0.6
107.08552	1.0
109.02841	1.4
109.06535	0.7
111.04376	0.6
111.05560	1.0
115.05094	0.5
116.98608	0.7
119.01900	1.0
119.08604	0.6
121.06448	0.5
123.05579	0.7
125.07122	0.5
127.03897	100.0
128.04195	1.3
129.06985	0.7
131.01915	0.5
131.04884	0.6
131.08577	0.6
133.06467	0.7
133.10127	0.6
141.06725	0.8
143.08487	1.2
145.04904	1.0
149.05937	0.6
151.07520	0.6
152.47845	0.5
153.06955	0.6
155.08556	1.3
157.10188	0.9
159.08093	0.5
168.09312	1.0
173.06033	0.6
173.12877	0.8
183.11713	2.3
189.12694	0.5
201.12633	0.9
217.09021	0.6
229.08844	0.7
229.12158	2.3
237.02885	0.6
241.73627	0.5
260.96786	0.5
271.16501	0.6
289.07111	1.0
289.12515	9.8
289.20975	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30310	0.9
53.03933	1.4
55.01866	0.9
55.05503	1.1
56.96572	2.1
57.03425	1.2
64.95699	0.8
65.03946	0.9
65.76167	0.9
67.05491	1.8
67.63717	0.8
69.03407	4.5
69.07054	3.8
70.02977	0.7
70.06578	2.0
71.04990	2.1
71.70385	1.0
72.08144	1.9
72.55355	0.9
74.06063	1.2
78.65990	0.9
79.05488	2.9
81.03413	3.6
81.07027	2.6
83.04970	1.6
84.08122	3.2
84.34752	0.9
84.79595	0.9
85.02893	3.2
85.06535	1.3
91.03902	1.0
91.05461	2.5
93.07027	2.0
95.04953	1.9
95.08630	1.3
97.02872	3.6
97.06540	1.1
98.97591	2.2
98.98428	1.1
99.04475	1.7
101.00883	1.3
105.00319	1.4
105.07003	3.1
107.04996	1.1
107.08597	0.9
109.02869	1.4
109.06499	1.3
109.10141	0.9
115.02410	1.2
116.98634	1.3
117.07004	1.7
119.01931	6.3
119.08556	1.0
121.06480	2.4
123.04410	1.5
125.07143	1.2
126.05495	1.9
127.03891	20.0
127.05885	2.7
129.06963	2.0
131.01877	5.8
131.05035	1.3
131.08575	3.1
133.02582	0.9
133.03421	4.3
133.06548	1.2
134.99608	1.3
137.02881	1.8
141.06949	1.4
143.08536	1.6
145.03455	3.2
145.10146	1.3
149.05986	2.9
153.07060	1.2
154.88185	0.9
155.01909	2.2
155.08589	2.0
157.03523	1.2
157.10123	1.3
161.03024	1.8
161.06642	0.9
163.08200	1.9
168.09384	3.5
169.07033	1.1
173.02989	3.3
173.09604	1.2
173.13261	1.1
177.00800	1.5
183.11635	4.6
185.06570	1.6
187.08168	7.8
191.03964	1.3
199.08098	10.0
201.09668	2.4
201.12682	1.9
203.04063	1.4
205.09163	2.2
211.08142	1.1
211.11250	1.4
217.09109	4.9
221.04990	6.4
229.09145	1.9
229.12190	4.8
239.07701	1.9
241.09183	2.1
271.09848	1.7
289.12582	100.0
307.12402	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1542
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
53.03937	0.5
55.05490	1.2
67.05486	1.5
69.07034	0.9
69.15396	0.5
69.71826	0.5
71.70981	0.8
79.05498	2.2
80.05013	0.6
81.03415	0.7
81.07045	3.7
91.05475	5.3
93.07043	2.4
94.06547	1.0
95.04970	0.8
95.08593	1.9
96.08128	2.3
97.06532	0.8
104.04964	0.8
105.07016	1.6
106.06554	1.7
107.08584	2.2
108.04430	0.8
108.08113	1.2
109.02864	1.1
109.06494	0.5
109.10133	1.1
116.04983	1.3
117.05736	1.5
118.06536	5.7
119.07312	0.9
119.08561	1.5
120.08096	13.1
120.08974	0.7
121.10139	1.0
122.09687	0.9
123.11680	0.6
124.07582	10.9
126.05509	1.6
126.09148	1.1
127.03888	0.7
128.06256	0.4
128.40553	0.5
131.08527	1.1
133.05188	0.8
133.10136	0.8
134.05995	5.9
135.11662	0.9
136.07555	6.1
137.13271	0.5
138.05495	1.7
145.10109	0.5
146.05957	4.2
147.06784	2.5
147.07819	0.4
147.11624	0.7
148.07556	10.6
150.09090	0.9
152.07108	0.7
153.06863	0.5
159.08023	0.6
159.11751	0.9
161.13333	0.6
163.03867	0.5
164.07050	100.0
165.07428	2.3
166.08630	2.9
174.12683	0.6
183.11726	1.0
193.08659	0.7
198.08975	0.5
200.10658	1.1
201.16393	0.7
203.17969	0.7
207.24461	0.6
215.15462	1.8
216.10204	2.6
226.12125	0.8
229.12405	0.9
243.14923	4.8
245.16438	1.9
253.13474	1.3
254.11780	1.3
257.37836	0.5
271.14386	21.7
272.14673	1.1
289.06085	2.1
289.15430	68.6
289.25226	1.5
290.15717	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1541
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
53.03940	1.8
55.01864	2.1
55.05489	2.1
55.88984	1.2
56.05018	2.1
57.03427	3.0
59.89940	1.1
60.04531	1.5
60.28423	1.3
67.05486	5.6
69.03416	4.1
69.07053	2.1
71.04971	3.1
71.54887	1.2
71.70782	1.3
74.06071	17.1
75.06406	5.1
79.05495	9.6
81.03397	3.0
81.07039	7.1
81.46349	1.4
84.04478	3.9
85.02878	2.7
85.06559	2.5
86.09695	2.9
91.05473	6.8
93.07032	9.4
94.06566	2.1
95.04941	3.1
95.08598	3.9
96.04456	2.2
96.08097	1.7
97.02877	3.2
97.06538	1.9
98.97603	1.5
99.04419	2.8
103.05462	4.3
105.07014	5.8
106.06551	2.2
107.04933	1.8
107.08566	4.8
108.08089	12.6
109.02871	4.6
109.06480	1.7
109.10142	2.5
112.02184	4.2
116.07063	6.0
117.07488	2.1
118.06512	7.7
119.06560	1.3
119.07301	7.2
119.08559	5.9
120.06671	2.0
120.08089	47.0
121.06490	2.6
122.05987	2.9
123.08041	2.7
124.07599	11.8
126.09137	5.0
128.06192	2.4
129.06982	1.9
130.06531	1.7
131.08537	4.7
133.06552	1.2
133.07591	1.9
133.10144	2.4
134.09619	1.8
135.08020	1.8
136.07561	81.0
137.05966	5.5
137.07959	1.5
138.09134	5.4
140.01657	3.1
141.06938	2.3
142.07790	1.3
143.08551	4.4
144.06499	2.8
145.10078	2.8
146.05991	2.4
146.08333	2.9
147.04396	1.7
147.11858	1.6
148.07544	15.3
153.01799	6.8
155.08601	3.6
157.10086	3.2
158.02701	1.9
159.09215	1.4
159.11714	2.9
161.09572	2.0
162.09122	3.1
163.03870	4.3
164.07043	42.5
166.08656	3.6
168.08116	1.8
168.09431	2.4
169.10036	2.7
170.09633	2.1
171.02881	1.8
173.13332	1.8
182.09651	1.8
183.10326	1.9
183.11726	7.8
185.10794	1.9
186.02158	5.7
186.11548	2.5
187.12309	5.3
196.07495	1.7
197.10635	1.7
198.12778	3.2
199.08606	4.6
200.10747	2.0
201.12779	4.3
210.11519	2.3
213.10300	6.3
214.10875	9.4
215.07080	1.9
215.11827	13.4
215.15401	4.7
225.13889	6.7
226.12202	8.5
227.08080	2.0
227.11803	4.0
228.12517	11.3
229.12166	7.8
241.09645	3.5
242.10388	1.7
242.14180	2.8
243.04387	3.0
243.14905	77.1
244.15121	2.2
253.13312	5.6
261.15961	1.7
271.10669	4.7
271.14389	100.0
272.12430	2.1
272.14804	4.1
289.06882	6.0
289.11606	9.1
289.15335	39.1
289.18143	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.154
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
50.88396	0.3
53.03936	0.5
55.01853	0.5
55.05494	0.8
56.84681	0.3
57.03420	0.6
58.11232	0.3
65.03916	0.6
66.04713	0.3
67.01852	0.4
67.05494	2.6
68.99763	0.4
69.03397	0.7
69.07043	2.3
70.47400	1.1
71.04973	1.0
73.02924	0.3
75.70004	0.3
79.05479	2.6
80.05002	0.6
81.03373	0.5
81.05759	0.4
81.07037	4.3
83.04916	0.6
83.08576	0.6
85.02885	0.3
85.06527	0.6
89.03864	0.8
91.05458	5.9
92.06232	0.5
93.07024	2.6
94.06544	1.4
95.04919	1.0
95.08595	3.9
96.08113	2.3
97.02862	0.5
97.06498	1.0
98.21406	0.4
99.04428	0.4
99.08022	0.4
103.05442	0.8
104.04959	0.5
105.05732	0.5
105.06992	1.6
106.06534	1.9
107.04899	0.6
107.08567	2.0
108.04450	0.3
108.08076	1.3
109.02837	0.8
109.06483	0.9
109.10122	1.3
111.08055	0.3
115.05435	0.5
116.04951	0.9
116.84658	0.3
117.03345	1.0
117.05737	1.3
117.06994	0.5
118.06517	5.5
119.07316	0.8
119.08553	2.1
120.08078	12.7
121.06443	0.5
121.10110	2.1
122.09598	1.0
123.04400	0.9
123.08085	0.5
123.11675	0.9
124.07566	10.8
126.05450	0.4
126.09137	1.2
127.03884	0.4
129.07011	0.6
131.08514	1.3
133.10129	1.5
134.05988	5.3
135.04382	2.7
135.06706	0.3
135.08022	0.5
135.11682	1.5
136.07538	5.8
137.05957	0.5
138.05495	2.4
138.09102	1.0
142.07794	0.4
143.08540	0.7
145.02803	1.7
145.06462	0.4
145.10110	0.6
146.05968	4.5
147.06828	1.7
147.07811	0.4
147.11665	1.1
148.07536	10.3
149.09671	0.4
149.13213	0.5
150.09105	1.0
151.03891	0.4
152.07056	1.5
153.01793	12.8
154.02122	0.7
155.08591	0.5
157.10049	0.8
159.11635	0.8
161.09734	0.3
161.13216	1.0
163.03874	9.6
164.07028	100.0
165.07440	2.2
166.08641	3.2
168.09329	0.5
171.02861	1.1
171.11665	0.4
173.13142	0.5
174.12718	0.4
179.03334	0.7
180.06575	0.6
183.10213	0.4
183.11687	1.4
185.13174	0.4
187.03874	0.9
200.10655	1.1
201.12753	0.4
202.12100	0.4
214.11031	0.5
215.15430	1.7
215.17592	0.3
216.10162	2.4
226.12206	0.6
228.10243	0.5
229.11861	0.3
229.13516	0.8
243.04352	0.5
243.14880	6.0
243.17366	0.6
245.16472	2.2
253.13318	1.3
253.21684	0.7
254.11723	1.0
271.06235	0.6
271.14343	21.6
272.14633	0.9
289.07013	10.3
289.15399	69.3
289.25314	0.9
290.07101	0.5
290.15781	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74173	0.9
55.01844	2.0
55.05489	4.4
57.03414	1.2
58.64673	1.0
67.01833	1.3
67.05500	5.9
69.03399	3.1
69.07040	5.2
69.13552	1.0
70.06579	1.2
71.04977	3.9
79.05470	6.0
81.07035	15.0
83.04964	4.8
83.08601	1.3
85.02914	1.3
85.06525	2.7
87.91686	1.1
91.05459	8.2
93.07030	13.7
95.04945	4.0
95.08591	13.6
97.02795	1.4
97.06517	8.0
99.04449	6.3
99.04976	1.0
100.32398	1.1
103.11507	1.1
105.07008	10.9
107.04919	1.8
107.08588	10.0
109.02862	1.9
109.06500	7.7
109.10117	2.6
111.08073	5.1
111.54938	1.0
112.02159	1.2
113.05994	1.7
117.07018	1.1
119.08545	7.2
121.06493	20.7
121.10142	3.1
123.08093	1.9
123.11687	2.6
125.05999	2.7
127.03870	1.8
127.07527	1.9
128.06198	1.3
129.06984	2.3
131.08536	3.6
133.10085	5.7
135.04408	3.6
135.07996	3.5
135.11627	1.5
137.05960	2.3
139.07524	5.9
140.01645	1.4
141.05382	1.2
141.07045	1.7
143.06981	2.4
143.08585	1.3
145.10072	2.5
147.08046	1.9
147.11652	12.1
151.11159	2.2
153.01804	4.0
154.02213	1.9
155.02315	4.0
155.08517	2.7
157.08615	1.8
157.10062	4.1
159.06548	2.4
159.07993	2.2
161.05940	1.4
161.13202	2.6
163.03987	1.5
165.12726	4.1
169.12219	4.4
171.11661	4.1
173.09610	2.0
173.13289	1.4
175.11147	6.4
183.11659	3.5
186.02216	1.9
189.12665	5.8
193.12225	6.5
199.11168	5.6
207.13728	2.7
211.13179	7.8
217.12196	17.5
229.12259	2.1
229.14310	1.6
235.13263	17.1
240.65678	1.1
253.14337	7.3
289.06003	100.0
289.18149	2.6
290.06302	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	289.164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	16.2
55.72338	4.9
57.03428	8.7
67.05492	37.8
69.03434	11.8
69.07055	24.1
69.98116	6.2
71.04972	18.3
71.05957	17.1
79.05479	46.6
81.07043	77.6
83.04969	21.1
83.08599	13.5
85.02894	7.2
85.06517	11.6
91.05474	40.8
93.07026	81.0
95.04958	23.8
95.08598	60.9
97.06515	38.9
98.53854	5.5
99.04436	21.4
105.07009	49.8
107.04920	6.4
107.08568	56.9
109.06517	32.8
109.10132	17.6
111.08058	27.5
113.06036	6.3
119.08547	27.5
121.06494	90.2
121.10116	18.5
123.11671	16.1
125.05968	15.4
129.06970	10.2
130.20554	6.3
131.08569	15.9
133.06520	5.9
133.10110	34.9
135.08025	16.3
135.11676	10.1
137.06004	10.8
139.07550	28.4
143.07071	17.4
143.08548	13.5
147.11653	54.2
147.68039	6.1
151.11153	13.8
153.01778	9.1
155.08633	6.2
157.08739	9.9
157.10095	27.7
159.06487	8.5
161.09637	11.9
161.13239	17.7
163.03864	9.7
164.07057	15.9
165.12762	14.3
169.12276	25.2
171.11668	15.5
173.09622	6.7
175.11151	34.1
179.10582	6.2
182.37010	5.6
183.11755	11.2
185.13309	7.0
186.02261	8.9
189.12749	33.5
193.12228	40.7
199.11153	26.0
203.84824	6.3
207.13811	20.0
211.13257	42.7
217.12186	100.0
229.12256	12.9
235.13277	88.5
245.68300	5.8
253.14250	37.6
271.10605	8.6
289.06009	11.3
289.15396	12.1
289.18408	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	289.1793
Annotation	Dicranenone A
Peak:m/z	Relative Intensity
53.03925	5.9
55.01861	13.6
55.05242	1.9
55.05502	34.8
57.03166	2.0
57.03427	30.0
57.07066	1.8
60.34214	1.6
65.03910	3.3
67.05145	2.8
67.05492	39.5
69.03411	5.1
69.07058	16.7
70.05807	9.2
71.04989	1.4
73.47615	1.5
75.66462	1.6
77.03893	1.9
79.05029	2.2
79.05483	41.8
81.03406	4.5
81.07044	43.3
81.81103	1.7
83.04969	57.1
83.08604	9.1
83.09017	1.4
85.06513	6.3
89.53667	1.9
90.25674	1.3
91.05467	73.0
93.03358	1.8
93.07032	39.8
93.66360	1.3
95.04971	13.9
95.08581	27.3
97.06503	6.5
97.10145	5.0
99.04433	13.3
101.36965	1.6
103.05450	3.6
103.38131	1.5
105.07016	75.5
107.04240	2.1
107.04940	34.1
107.08572	21.7
109.06504	20.8
109.10155	9.7
111.04419	21.9
111.08049	6.2
113.05980	4.3
114.35598	1.7
115.05437	5.8
117.07014	23.2
119.04935	2.0
119.07732	2.8
119.08559	47.8
121.06490	9.8
121.10149	11.4
123.04397	3.4
123.08038	6.2
125.05957	16.4
125.09599	3.0
128.06198	7.2
129.06987	13.4
130.07762	2.4
131.04854	2.9
131.08548	35.2
133.06487	14.8
133.10106	36.5
135.04347	1.8
135.08026	17.3
135.11662	7.2
137.05942	7.6
137.09598	3.3
141.06950	6.1
142.07777	3.6
143.08566	14.3
145.06468	9.7
145.07454	1.6
145.10095	28.8
147.08028	15.5
147.11670	24.4
149.05975	7.5
149.09596	6.8
149.13231	2.8
151.07516	6.0
153.06975	2.1
154.07668	1.9
155.08531	12.6
157.10094	11.4
159.08025	21.6
159.11658	20.4
160.08858	2.2
161.06035	2.8
161.09595	18.3
161.13206	5.6
163.07484	5.8
163.11143	8.7
165.09076	1.8
167.08492	3.2
167.39502	1.5
168.09317	3.7
169.10121	7.7
171.11653	8.4
173.09660	10.8
173.13245	12.3
175.11163	6.0
177.09068	4.0
177.12727	14.7
181.10112	2.5
183.07990	1.6
183.11713	14.6
185.09576	4.1
185.13214	2.7
187.07561	1.9
187.11147	6.0
187.14758	5.2
189.12730	4.8
191.10809	1.5
193.83705	1.6
197.13191	6.1
201.09027	1.6
201.12706	6.2
202.07779	5.2
203.08533	12.3
205.15819	7.5
211.11177	2.1
211.14868	2.1
215.14424	8.5
215.17917	6.1
225.16362	4.8
229.12198	8.5
231.08035	11.2
233.15352	26.3
239.17862	3.6
243.17488	7.9
243.21130	2.2
246.06709	2.4
253.15871	4.7
257.19073	7.6
261.09073	6.1
261.18475	25.8
271.16867	17.4
289.08585	25.8
289.14587	3.4
289.17926	100.0
289.21548	49.6
289.29178	5.7
289.32028	1.8
290.08847	1.6
290.18304	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	289.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
54.42567	0.8
55.01856	1.2
55.05503	24.1
57.11861	0.6
59.04991	1.4
60.07884	0.7
65.03922	1.4
67.05494	16.3
67.82948	0.7
69.03414	1.4
69.07050	9.6
69.66788	1.6
69.67204	4.4
70.83064	0.7
71.04978	1.1
73.06533	2.3
79.05478	16.8
81.07043	21.1
83.04958	1.8
83.08607	11.0
85.06514	2.1
89.13840	0.8
91.05469	46.2
92.05814	0.8
93.07034	15.1
95.04945	1.4
95.08597	11.8
97.06488	0.9
97.10153	9.0
100.41392	0.7
103.05454	2.2
105.07014	100.0
106.07346	2.0
107.08575	9.1
109.06515	1.7
109.10172	3.5
111.08006	1.0
115.05394	1.3
117.06993	10.1
119.08562	39.5
120.08859	1.3
121.10165	3.8
123.08047	2.1
123.11623	0.8
125.09613	6.8
128.06233	0.7
129.06993	3.4
130.07785	1.2
131.08548	16.8
132.09312	0.8
133.10112	50.5
134.10445	1.5
135.08015	0.9
135.11667	3.8
141.06967	2.3
143.08553	6.3
144.82957	0.7
145.10103	50.0
146.10547	1.0
147.11664	56.7
155.08548	3.0
157.10179	4.4
157.71535	0.8
159.07933	1.2
159.11649	10.8
161.09589	1.6
161.13237	5.3
163.11174	1.2
168.09358	1.5
169.10060	2.3
171.11681	10.3
173.13245	4.7
175.11137	1.6
175.58536	0.8
183.11653	7.6
185.13249	1.8
187.11093	0.8
187.14677	0.9
197.13229	4.3
211.14769	1.1
215.17908	1.0
229.12149	2.0
229.15857	1.3
229.19391	0.9
239.17906	11.4
257.18973	39.2
258.19269	2.3
260.99588	0.8
281.07336	0.8
289.21576	70.8
290.21893	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	289.2158
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
51.02366	1.3
53.03930	2.5
55.05239	1.2
55.05504	22.1
59.04989	1.7
63.01878	1.1
65.03915	1.2
66.63982	1.0
67.05193	1.5
67.05495	19.9
67.45273	1.1
69.03403	1.3
69.07060	14.4
71.55756	1.1
73.04264	1.2
73.06548	2.5
79.05486	19.0
79.41976	1.2
81.07043	25.6
83.05009	1.4
83.08620	9.5
85.06517	4.0
91.05466	56.8
93.07034	16.9
94.87176	1.0
95.04955	2.0
95.08595	14.9
95.45966	1.2
97.06524	1.5
97.10152	7.8
99.08076	1.5
101.05984	1.1
103.05445	1.6
103.77425	1.0
105.07016	100.0
106.07348	2.2
106.88181	1.2
107.08577	13.8
109.06524	2.2
109.10117	6.1
115.05441	1.3
117.06993	13.3
119.08563	48.2
121.10133	5.4
123.08012	1.8
125.09608	4.8
129.06995	3.8
130.53551	1.3
131.08557	23.9
132.09361	1.4
133.10112	54.8
135.11639	2.8
141.06982	2.8
142.07735	1.7
143.08534	5.7
145.10110	43.7
146.10745	1.1
147.11667	48.5
149.09508	1.3
155.08531	2.6
157.10091	4.9
159.08015	1.6
159.11678	13.6
161.13251	9.0
168.09254	2.0
169.10106	4.3
171.11703	10.8
173.13240	9.3
175.11235	1.5
175.14763	1.7
183.11699	6.8
185.13164	2.3
187.11136	1.7
187.14803	2.1
197.13237	4.1
201.12700	2.3
211.14951	1.3
213.16446	2.1
215.17906	3.1
229.15733	1.3
239.17920	11.3
257.18976	32.6
289.21582	95.1
290.21902	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	289.2521
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03923	3.3
53.79253	1.5
55.01855	3.9
55.05267	1.7
55.05503	16.7
57.07072	8.4
65.03931	1.9
67.05497	36.7
69.03412	5.6
69.06687	3.0
69.07057	54.4
71.04971	5.6
71.70019	2.5
79.05480	23.9
81.03386	2.6
81.07044	100.0
83.04971	3.5
83.08597	12.6
84.04488	4.1
85.06516	9.4
91.05466	20.4
93.07028	53.9
95.04946	11.7
95.08594	65.3
97.06507	11.6
97.10143	6.0
99.04406	2.5
105.07010	30.8
107.08582	51.4
108.08845	1.6
109.02859	3.2
109.06494	5.9
109.09402	2.4
109.10143	35.2
111.08054	9.2
111.11709	7.8
116.01646	2.2
117.07004	5.3
119.08562	26.0
121.06497	5.1
121.10126	39.8
123.08047	3.5
123.11688	33.9
125.09591	3.9
127.03901	2.2
129.07043	3.6
131.08525	8.0
133.10120	24.7
135.04460	2.2
135.11665	20.3
137.05899	2.0
137.09578	3.3
137.13264	7.3
139.11166	5.5
141.06996	2.8
143.08545	2.3
145.10138	9.5
147.11646	16.6
149.09555	1.8
149.13234	19.2
151.11153	14.3
151.14792	4.2
153.12735	2.4
155.08598	2.5
157.10117	2.5
159.08073	2.9
159.11678	11.0
161.13214	16.5
163.03923	7.8
163.11186	2.4
163.14801	13.5
165.12752	8.0
169.10037	1.6
171.11787	1.5
173.13232	7.1
175.07622	1.6
175.11101	1.9
175.14807	12.1
177.12666	3.5
177.16341	7.6
179.14293	3.2
183.11638	4.8
185.13235	2.2
187.14774	5.3
187.60706	1.6
189.16388	9.0
191.14256	1.6
193.15796	2.0
195.59210	1.7
200.46696	1.5
201.16374	6.2
203.17859	4.5
207.17476	2.4
215.17966	5.4
217.19470	5.8
219.17422	2.8
229.12299	2.1
233.18684	2.5
235.20549	2.9
245.22639	12.0
252.22595	1.7
253.21608	3.3
271.16873	3.5
271.24274	11.6
289.18005	7.2
289.25189	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2522
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03930	3.2
53.94450	1.0
55.01855	2.5
55.05269	1.8
55.05507	19.6
57.07062	7.6
59.04965	1.6
67.05498	27.2
69.03419	3.0
69.07062	62.1
69.53574	11.0
71.04977	4.2
71.08611	2.6
79.05488	21.1
81.03413	2.6
81.07047	95.2
83.04984	2.2
83.08608	16.0
84.04486	2.9
85.02889	2.0
85.06522	5.0
91.05462	15.4
93.07037	44.3
95.04946	5.9
95.08597	53.0
97.02876	1.6
97.06521	6.0
97.10178	7.9
97.10694	1.4
99.08086	2.5
105.07018	26.0
107.08582	45.5
109.02882	2.0
109.06495	9.3
109.09402	2.4
109.10147	37.1
111.08093	9.8
111.11705	7.6
113.09614	1.7
115.05424	1.4
117.07010	2.8
119.08569	22.5
121.06499	3.3
121.09250	1.8
121.10130	33.2
123.08057	2.8
123.11696	27.5
125.09602	4.6
128.06186	2.2
129.06979	1.7
131.08572	7.8
133.10121	19.9
135.08003	2.5
135.11682	19.7
137.09610	3.8
137.13229	7.0
137.14149	1.2
139.11179	4.8
141.06964	2.1
143.08530	2.8
145.06483	1.4
145.10118	9.2
147.08055	1.3
147.11676	19.0
149.09625	3.4
149.13254	17.3
151.11153	12.5
151.14760	1.4
153.12703	1.9
155.08569	2.7
157.10100	3.1
159.08025	2.1
159.11688	12.3
161.13245	18.1
163.03830	2.5
163.11162	3.6
163.14819	12.0
164.07033	1.9
164.11853	1.4
165.12750	12.7
168.09357	1.3
173.13307	8.8
175.07451	1.6
175.14780	13.1
177.12721	6.2
177.16336	6.3
179.14276	2.1
183.11714	4.0
185.13220	1.4
187.07585	1.8
187.14848	4.7
189.16368	9.1
191.17943	2.9
201.12692	1.8
201.16356	4.4
203.17924	5.1
207.17403	1.2
215.17897	6.6
217.19464	2.0
219.17360	2.2
229.12294	4.0
229.19562	3.0
233.19014	2.3
243.21187	1.5
245.22653	11.7
271.16788	1.4
271.24222	13.4
289.15131	2.3
289.18344	4.0
289.25223	100.0
290.14087	1.3
290.22345	1.1
290.25580	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	14.8
63.72874	11.5
69.03423	28.0
70.06575	26.1
70.36337	18.7
70.36749	32.5
71.01324	19.9
73.02892	14.7
79.05474	30.5
81.03401	27.7
81.07042	27.5
85.02876	51.7
91.05491	13.4
95.04967	22.5
97.02870	27.0
98.20757	13.7
98.97557	38.1
101.00888	20.9
106.30756	12.7
107.04954	16.7
109.02853	20.1
110.97610	12.5
111.04405	15.7
114.05500	14.6
116.98588	32.7
117.80361	11.2
119.01897	53.6
119.42634	13.1
120.02127	12.3
121.01624	21.4
121.06429	12.0
127.03868	21.8
128.98488	16.3
130.71425	12.0
131.01860	20.4
135.04306	13.3
143.01897	43.8
145.03444	18.9
147.04970	17.7
150.20737	12.4
151.03815	13.9
157.03409	14.4
158.99622	23.9
161.02908	36.7
173.02942	38.3
177.00706	16.2
181.04906	14.9
200.04390	18.2
203.04021	16.8
219.01756	37.0
249.02875	12.5
291.08121	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01836	0.9
55.05508	1.5
56.96559	41.8
57.03426	1.2
61.02926	1.3
65.03928	1.1
66.09225	0.8
67.05481	1.6
69.03432	4.5
69.95718	5.4
70.06608	1.2
70.72759	1.0
71.01356	0.9
71.04985	1.3
71.95242	1.5
73.02905	1.9
73.06561	1.5
73.74983	0.9
73.81368	0.8
74.97587	1.0
79.05488	3.5
81.03410	8.9
81.07045	3.1
83.04967	1.7
84.08155	1.0
84.96024	10.7
85.02907	6.8
85.63284	0.8
87.04484	1.2
91.05460	4.7
93.07053	2.5
93.25569	1.0
95.04964	3.4
95.08601	1.2
97.02881	3.7
98.21348	1.5
98.97572	100.0
99.04417	1.5
102.97085	1.4
107.04974	1.4
107.08590	2.7
109.06499	1.8
110.97563	12.1
111.04446	2.3
112.99132	3.0
116.98610	67.8
119.01888	2.0
119.04971	2.7
121.06509	2.0
121.10143	1.0
123.04419	3.3
127.03972	1.0
128.98593	24.2
129.02202	1.1
130.08614	2.0
131.00151	4.7
134.99648	31.7
135.11633	0.9
137.06003	2.6
140.00206	3.7
143.00185	4.3
144.98097	2.1
145.01714	2.7
145.03447	2.0
146.99632	20.5
147.01427	1.2
147.03287	6.1
147.04424	3.0
149.01195	2.8
151.07582	1.1
152.98608	2.3
153.00735	3.6
158.01323	1.1
158.99637	27.5
161.01236	5.0
161.02940	2.6
162.99094	4.6
163.02734	5.1
164.05307	1.2
165.00728	2.6
165.04309	10.0
165.05476	1.3
167.06993	1.1
170.01303	1.1
170.99655	7.4
177.00693	45.0
179.02284	2.0
181.00175	1.0
184.04903	0.9
189.00809	7.2
189.02451	2.5
189.04268	6.5
189.05901	1.0
191.03931	1.6
191.05794	1.3
193.03836	1.6
195.01761	4.9
200.02290	3.2
200.04485	2.7
201.00694	1.9
201.04285	1.6
205.00209	1.1
207.01532	0.9
207.05406	4.2
210.04726	1.1
210.06625	1.7
210.56555	1.1
219.01765	22.4
223.01398	1.4
227.06807	1.5
229.63240	1.0
231.03474	3.0
231.05463	3.8
237.02788	50.6
239.02412	1.2
242.03384	2.1
243.05498	1.5
249.06516	3.0
255.03818	5.3
260.04434	3.8
279.03983	1.6
291.07605	19.2
291.19571	1.6
291.23044	1.3
291.60901	1.1
309.08545	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	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03937	4.5
55.01860	17.5
55.05507	33.7
57.03421	14.9
58.58172	2.5
65.03909	2.4
67.05493	31.4
69.07077	15.9
71.04971	5.6
71.44440	5.1
71.44790	4.0
79.05483	63.9
80.24587	2.4
81.03401	3.1
81.07043	53.3
82.29800	2.9
83.04967	4.4
83.08607	13.7
85.45767	2.6
90.14870	2.4
91.05470	62.9
93.06490	4.4
93.07030	42.3
95.04951	19.2
95.08604	22.3
96.98129	3.1
97.06512	5.2
97.10139	12.0
103.05475	3.0
105.07011	39.6
107.04935	17.8
107.08595	25.5
109.06506	17.9
109.10125	8.3
111.08065	13.5
115.05394	6.5
116.06259	3.7
117.06997	38.0
117.37727	2.9
119.04932	3.8
119.08566	52.2
121.06486	19.5
121.10108	15.0
123.08041	11.3
123.11600	3.2
125.09615	9.8
128.06255	2.8
129.06990	18.0
131.08560	39.4
133.06491	11.0
133.10109	11.9
135.08029	33.0
135.11682	4.3
137.09607	3.5
141.06923	3.9
143.08578	17.0
145.10101	35.7
147.08047	23.9
147.11729	4.2
149.09566	12.2
151.07512	28.0
153.09160	3.6
157.10100	20.8
159.08005	3.6
159.11676	8.4
161.06032	2.5
161.09605	16.9
162.10248	2.8
163.11136	5.2
169.10124	3.7
171.11691	5.4
173.13229	4.6
175.11168	6.8
183.11630	3.4
185.13181	5.2
187.11134	3.3
189.11221	5.3
189.12732	6.9
195.11684	3.7
197.11691	4.8
199.11131	4.5
199.14828	5.5
207.13745	15.6
217.15833	13.0
219.13672	3.1
220.04160	2.8
223.13232	2.9
227.17839	5.3
245.19014	3.4
249.14827	13.9
255.17474	7.4
273.18448	58.2
274.18576	4.9
291.19498	100.0
291.22769	5.0
292.19852	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	291.1949
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03931	2.8
55.01862	21.8
55.05500	11.1
56.05022	2.8
57.03432	16.3
57.07051	2.5
58.06572	2.2
58.77983	1.0
65.03914	3.5
67.05489	23.0
69.03413	2.5
69.07045	5.0
70.83882	3.0
70.84230	1.6
71.04957	2.0
74.06051	1.6
79.05025	2.0
79.05478	40.9
81.07040	17.7
83.04942	2.0
83.08588	3.8
84.95455	1.3
85.06519	2.8
88.07625	9.2
89.07939	2.7
91.04920	2.2
91.05461	30.7
92.05760	1.4
93.07028	23.0
95.04953	23.9
95.08598	11.1
97.06518	4.1
97.10162	1.3
105.06993	16.8
107.04949	12.6
107.08571	20.3
109.06499	69.2
109.10138	2.9
111.08062	1.7
115.05434	2.2
116.06206	1.5
117.07000	11.9
119.06065	1.3
119.08545	6.9
121.06471	3.9
121.10107	4.7
123.08050	1.8
128.06168	1.3
129.07004	8.7
131.08560	18.6
133.06476	2.4
133.10115	5.3
135.08031	100.0
135.11656	3.6
136.08345	2.0
137.22559	1.2
143.08553	6.0
145.10121	8.7
147.08031	6.0
147.11646	2.5
149.09602	8.1
149.13310	1.8
157.10181	5.7
159.08040	2.3
159.11650	6.8
161.09581	8.4
161.13275	1.3
163.11115	2.0
169.10095	1.9
171.11679	3.7
173.13263	3.5
175.11153	2.7
177.12776	2.2
177.53001	1.2
183.11702	1.8
185.13211	2.2
189.12741	1.5
195.11716	1.4
199.14778	4.6
201.12665	2.3
217.15854	17.8
219.13666	1.5
227.18044	1.5
243.25055	10.3
245.19055	1.9
255.17328	2.6
273.18478	22.3
291.19516	37.4
291.27167	32.8
292.19757	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1949
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03929	1.1
55.01867	2.5
55.05503	8.3
57.03423	0.7
59.04993	0.4
65.03915	0.7
67.05492	5.4
69.03426	1.3
69.07062	3.1
70.25707	0.2
70.56265	0.3
70.56641	1.0
71.04974	0.8
74.42351	0.3
79.05485	7.4
81.03392	0.6
81.07046	7.1
83.04953	1.1
83.08617	4.1
85.06525	0.5
91.04912	0.5
91.05463	6.9
92.05772	0.4
93.07034	6.6
94.04169	0.3
95.04954	3.0
95.08595	3.2
97.06519	0.5
97.10158	4.1
103.05431	0.3
105.03385	0.4
105.07016	6.3
107.04929	2.8
107.08580	4.5
109.06489	1.0
109.10145	1.1
111.08043	0.4
115.05453	0.5
116.06255	0.6
117.07005	3.0
119.04945	1.9
119.08559	6.2
120.05750	0.6
121.06488	1.7
121.10120	1.8
123.08066	1.3
125.09621	2.3
128.06203	0.4
129.06978	1.4
130.07712	0.8
131.08539	3.7
133.06477	4.1
133.10112	1.7
134.07236	1.0
135.08034	1.2
135.11676	0.8
137.09593	0.7
143.08514	1.4
145.10106	3.0
147.07011	0.4
147.08038	5.1
147.11646	0.6
149.09605	1.2
149.13264	0.4
151.07568	0.5
157.10081	1.3
159.08058	0.6
159.11702	0.8
161.09584	1.1
161.13158	0.4
162.10373	1.5
163.11143	1.1
165.09122	0.5
169.10065	0.4
171.11646	0.4
175.11194	1.1
187.14723	0.3
189.11195	0.7
223.13243	1.0
227.17953	0.4
245.18927	0.4
249.14781	1.9
249.18587	0.3
255.17281	0.5
261.14844	0.7
271.34561	0.3
273.18433	3.8
291.19501	100.0
292.19806	4.5
311.18765	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1947
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03932	5.0
55.01863	16.7
55.05503	53.0
57.03425	7.7
65.03931	4.3
67.05496	38.4
68.38435	2.3
69.03418	6.9
69.07049	15.1
71.04987	4.6
71.06818	2.1
71.32088	5.1
75.67870	2.7
78.30957	2.3
79.05481	62.0
81.03374	3.0
81.07040	63.9
83.04988	6.1
83.08609	19.7
86.69975	2.7
91.05462	74.8
93.07034	35.4
95.04962	23.1
95.08583	18.6
97.06501	5.0
97.10147	28.5
103.05477	4.5
105.03371	5.2
105.07027	28.9
107.04937	18.1
107.08571	28.1
109.06525	13.0
109.10141	10.8
111.08081	4.8
115.05453	5.8
117.06992	37.5
119.04987	3.0
119.08555	80.4
120.08911	4.1
121.06478	17.4
121.10123	10.6
123.08056	7.0
125.09611	21.4
128.06264	3.9
129.07011	13.0
131.08531	29.9
133.06471	6.9
133.10161	12.4
135.08041	17.0
135.11668	3.9
142.07693	4.6
143.08545	16.5
145.10104	37.0
147.08029	50.6
147.11655	3.9
149.09583	10.7
151.07552	9.2
153.09122	3.9
157.10109	11.6
159.07990	4.0
159.11665	10.8
161.09615	11.5
163.11150	5.7
171.11656	5.3
173.11821	2.6
173.13333	3.3
175.11197	5.9
181.10121	2.5
189.11250	15.6
189.12720	4.0
199.14885	2.7
201.27153	2.4
207.13745	7.4
213.12643	3.4
227.17969	6.4
231.13783	4.0
237.16519	2.7
245.18985	7.7
249.14801	14.3
255.17412	13.3
255.45149	2.6
265.35931	2.7
273.18448	100.0
274.18829	4.5
291.19489	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1949
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03943	2.4
55.01861	3.6
55.05495	11.0
57.03411	2.4
59.00396	1.0
62.40226	1.2
63.77732	1.3
65.03925	3.3
65.45940	1.0
67.05492	57.5
69.03403	3.5
69.07044	6.2
69.35414	12.9
79.05480	17.0
81.03409	1.7
81.07042	18.6
83.04970	2.0
83.08618	4.2
86.30854	1.1
91.05473	17.6
93.06497	1.7
93.07032	16.9
93.30618	1.0
95.04951	100.0
95.08611	9.5
96.05283	1.3
97.06502	5.3
97.10128	2.1
100.03973	1.2
102.66139	1.2
105.07028	15.0
107.04940	8.1
107.08585	8.2
109.06481	7.4
109.10122	2.5
111.08048	2.8
116.06221	1.7
117.07015	4.2
119.04916	2.0
119.08553	6.0
121.06448	8.0
121.10140	5.0
123.08016	2.1
129.06952	3.4
131.08533	13.0
133.06451	4.6
133.10091	3.6
135.08038	1.4
135.11667	5.1
137.05933	3.1
143.08534	8.7
145.06511	1.5
145.10068	5.8
147.08031	5.0
147.11617	2.1
149.09605	1.9
149.13278	3.4
157.10104	1.3
159.08057	1.1
159.11646	2.3
161.09645	1.9
163.09744	1.1
163.11192	1.5
169.10078	1.2
171.11745	2.1
177.12738	4.3
185.13245	1.6
187.11165	1.6
205.12085	2.0
217.41927	1.2
229.15900	1.7
237.16515	1.2
245.18973	2.3
273.18433	17.1
291.19547	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	291.1948
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.05489	4.8
57.07056	1.8
59.04964	2.3
60.52862	1.1
62.11042	1.0
67.05478	3.5
69.03400	1.4
69.89436	7.1
71.04968	2.1
74.77440	1.0
79.05472	3.6
81.07034	5.8
83.04943	1.3
83.08594	2.3
85.06542	1.8
91.05446	3.2
91.17213	1.1
93.07034	7.5
95.04946	1.9
95.08598	11.0
97.06512	2.4
105.07031	6.9
106.76965	1.1
107.04920	4.0
107.08573	5.4
109.06512	5.6
109.10110	2.2
111.08067	20.9
117.07043	1.2
119.08532	6.9
121.06503	1.9
121.10120	4.8
122.07261	2.1
123.08054	36.0
125.09569	1.8
130.07761	1.4
131.08563	4.7
133.06476	3.1
133.10095	6.1
135.08026	3.7
135.11708	2.6
137.09621	2.7
141.05363	1.1
143.08553	2.6
145.10107	10.7
147.08038	2.3
147.11650	4.3
149.09583	4.2
151.07523	100.0
152.07854	2.1
157.10042	2.5
159.07996	1.5
159.11693	2.4
161.09601	3.5
163.11195	3.5
171.11685	3.2
173.09615	1.5
173.13269	3.2
174.10414	1.4
175.11150	2.0
177.12779	1.8
179.10666	5.9
187.11134	3.2
189.03249	1.1
189.12732	27.3
191.10605	2.0
191.14296	3.6
192.11401	3.2
197.11716	16.0
197.13300	2.6
205.12163	1.5
207.13777	66.8
215.14360	3.4
217.12209	3.3
231.17410	2.1
233.15372	13.3
235.13293	1.8
255.17464	2.9
273.18472	6.6
291.19525	37.8
292.19888	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.195
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.53756	0.7
55.01852	1.5
55.05502	9.6
57.03424	2.1
57.07051	3.9
59.04978	3.2
67.05494	7.0
68.07242	1.0
69.03408	2.2
69.07045	1.5
71.04977	3.3
79.05475	10.1
81.07053	9.5
83.04958	2.4
83.08617	9.1
85.02886	1.3
85.06522	2.1
91.05463	6.7
93.07029	12.4
95.04957	4.8
95.08592	16.3
97.06534	4.9
102.93010	0.9
105.07013	10.9
107.04943	14.8
107.08580	9.6
108.05696	1.4
109.06513	10.3
109.10101	1.5
111.07304	1.9
111.08066	38.7
112.08449	0.9
113.09608	1.6
115.05396	1.4
117.06978	2.3
119.08569	11.4
121.06440	2.5
121.09367	1.0
121.10136	7.6
123.08053	36.3
123.11652	1.3
125.09583	2.8
129.06982	2.6
131.08531	6.2
133.06493	4.3
133.10118	7.1
135.08049	7.0
135.11662	3.1
137.09511	1.9
143.08476	1.9
145.10063	5.4
147.07980	3.0
147.11671	7.1
149.09602	6.6
149.13194	1.9
151.07518	100.0
152.07843	2.2
153.08992	1.1
155.08479	1.3
155.10617	2.0
156.09291	1.1
157.10098	4.5
159.08014	1.9
161.09602	3.2
161.13287	1.3
163.03885	1.8
163.11133	3.5
167.10612	1.1
169.10094	1.0
169.12231	1.4
171.11626	3.5
173.09596	1.3
173.13269	6.4
174.10336	1.6
175.11142	4.0
175.52130	0.9
177.09096	1.9
179.10628	5.3
185.13156	0.9
189.12726	27.9
191.14316	12.6
192.11414	4.3
197.11687	15.7
197.13258	1.8
199.11230	1.2
207.13777	69.3
208.14111	2.6
211.13258	1.5
213.16370	2.6
215.14223	4.7
217.12206	3.4
231.17435	1.5
233.15321	35.4
234.15607	1.6
235.13187	2.5
249.18483	2.5
255.17416	2.2
273.18451	5.8
291.19498	53.3
292.19766	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1949
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03929	0.8
53.13097	0.2
55.01865	2.0
55.05505	7.1
57.03423	0.4
57.07058	0.3
59.04983	0.3
65.03931	0.4
65.61478	0.2
66.04700	0.2
67.05141	0.3
67.05497	4.9
69.03423	1.1
69.07061	2.8
69.35883	1.4
69.36304	0.6
71.04967	0.6
71.39465	0.2
79.05019	0.3
79.05484	6.8
81.03401	0.8
81.07044	6.4
83.04963	1.3
83.08611	3.1
85.06509	0.4
91.05467	6.0
91.06038	0.3
93.07030	5.7
94.04162	0.6
94.57478	0.2
95.04951	2.9
95.08594	2.7
97.06489	0.4
97.10163	3.0
101.09629	0.2
101.91794	0.2
103.05450	0.5
105.06330	0.3
105.07020	6.0
107.04932	2.6
107.08576	3.1
108.05711	0.6
109.06519	1.0
109.10155	0.9
111.08036	0.5
115.05425	0.4
116.06221	0.3
117.06995	2.4
119.04916	1.7
119.08563	4.9
120.05717	0.5
121.06492	1.9
121.10143	1.1
123.04404	0.2
123.08018	1.0
125.09589	1.3
128.06248	0.2
129.06969	1.4
130.07761	0.6
131.08551	2.5
132.05763	0.2
133.06468	4.1
133.10130	1.2
134.07271	1.1
135.08054	1.4
135.11653	0.7
137.09590	0.4
142.07715	0.5
142.47374	0.2
143.08545	1.4
144.09323	0.2
145.06439	0.5
145.10095	1.7
147.08029	3.4
147.11650	0.5
148.08842	0.4
149.09637	1.0
157.10104	0.6
159.08025	0.3
159.11708	0.4
161.09615	1.1
161.13271	0.2
162.10368	1.5
163.11070	1.0
165.09064	0.3
169.10175	0.2
171.11641	0.3
175.11191	1.1
185.09747	0.2
185.13225	0.3
189.11115	0.3
189.12672	0.3
203.14323	0.2
223.13229	1.0
227.17882	0.3
245.19006	0.3
249.14809	2.1
261.14853	0.5
262.15671	0.4
263.16580	0.3
273.18439	2.5
274.18793	0.2
291.19501	100.0
292.19849	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	291.195
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.19640	0.4
50.98513	0.4
53.03932	2.3
55.01862	3.1
55.05505	13.4
57.03423	1.3
57.07059	0.9
57.24369	0.3
59.04984	0.6
61.95938	0.5
65.03918	1.2
67.05496	14.7
67.92722	0.4
69.03426	1.7
69.07056	7.7
71.04973	1.1
71.71303	0.6
73.06551	0.4
77.03924	0.4
79.05485	24.9
81.03403	1.2
81.07045	21.3
83.04958	1.7
83.08612	7.0
85.06521	0.8
90.66795	0.3
91.05466	15.1
93.07034	29.3
95.04954	6.2
95.08598	10.4
97.06521	1.0
97.10168	5.3
103.05478	0.6
105.03391	0.5
105.07015	11.6
107.04934	3.7
107.08579	16.5
108.05757	0.6
109.06461	2.3
109.10130	5.1
111.08068	0.9
115.05420	0.9
116.06274	0.6
117.07005	4.7
119.04942	1.5
119.08564	11.1
120.05687	0.6
121.06496	3.2
121.09258	0.6
121.10132	12.0
123.04403	0.5
123.08067	2.3
123.11682	1.2
125.09626	2.8
128.06189	1.1
129.07010	2.6
130.07736	0.8
131.08543	5.5
132.05746	0.5
133.06491	3.6
133.10101	4.9
134.07251	1.1
135.04375	0.5
135.08073	2.5
135.11674	11.8
137.09610	0.9
139.11057	0.4
142.07748	0.5
143.08556	2.4
145.10100	4.9
147.08041	5.2
147.11638	2.9
148.08839	0.4
149.09595	2.2
149.13231	7.0
151.07555	1.6
151.11130	0.4
155.08531	0.7
157.10103	2.4
159.08119	0.6
159.11661	2.8
161.09630	2.3
161.13264	2.1
162.10349	1.3
163.03873	2.2
163.11185	2.3
163.14783	2.0
165.09052	0.5
165.12785	0.5
171.11588	1.8
173.13234	1.1
175.11194	1.3
175.14827	1.6
177.12796	0.8
185.13219	1.1
189.11226	1.0
189.12743	1.1
191.14320	0.5
195.11478	0.4
199.11018	0.4
199.14830	0.5
203.14287	0.7
207.13785	0.7
209.15259	0.6
213.16403	0.6
217.16019	0.6
217.19511	0.7
223.13307	1.5
229.78738	0.4
241.19484	1.4
245.18896	1.0
249.14767	2.8
255.17386	0.9
259.20569	1.9
261.14740	0.5
262.15759	0.6
263.19815	0.5
273.18433	7.2
291.19547	100.0
291.23126	12.2
292.19849	4.9
292.23059	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.195
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03914	2.6
55.01862	20.2
55.05504	11.2
57.03423	16.1
57.07069	0.9
59.44004	0.9
65.03918	2.1
67.05499	22.9
69.03401	3.6
69.07047	7.4
71.04970	2.4
71.08615	1.0
76.69244	1.0
78.14665	1.0
79.05481	39.0
81.03419	2.3
81.07043	23.9
83.04955	2.5
83.08620	5.4
85.06523	3.9
91.05462	33.2
93.07033	26.4
95.04958	8.8
95.08591	12.1
97.06498	3.1
97.10143	3.2
102.07722	1.0
103.05464	1.8
105.07018	19.3
107.04934	11.8
107.08577	28.6
109.06503	67.7
109.10120	4.0
111.08051	1.5
113.05952	1.6
115.05451	3.1
116.06210	1.1
116.67418	0.9
117.07008	14.1
119.04948	1.4
119.08568	10.1
121.06483	4.2
121.10126	7.8
123.08035	4.1
125.09651	1.3
128.06224	2.1
129.07002	6.8
131.08534	15.3
133.06485	2.4
133.10112	5.9
135.08031	100.0
135.11694	5.7
136.08357	2.8
137.09569	2.5
141.06902	1.2
142.07765	1.3
143.08519	6.6
145.06413	1.2
145.10077	9.0
145.42940	1.0
147.08023	4.5
147.11708	2.9
149.09604	8.5
149.13239	3.4
151.07492	1.6
157.10094	6.9
159.08086	1.6
159.11671	4.2
161.09578	9.3
161.13187	2.0
163.03889	3.4
163.11124	3.6
169.10098	1.1
171.11690	3.3
173.13246	1.8
175.11192	3.3
177.12711	1.7
183.11708	2.0
185.13235	1.9
189.12712	1.4
189.16437	1.1
192.72659	0.9
195.11803	0.8
195.13823	1.0
199.11165	0.9
199.14735	3.5
201.12817	2.1
207.13704	1.1
217.15845	17.8
227.17924	1.8
233.15401	1.0
237.16319	1.7
245.18997	3.6
255.17343	2.3
273.18445	21.2
274.18738	1.1
291.19531	56.6
291.22925	2.7
292.19901	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	291.195
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03930	1.2
55.01870	2.5
55.05506	11.1
57.03425	0.7
57.07062	1.2
59.04982	0.8
65.03912	0.6
67.05497	8.9
69.03403	1.6
69.07061	5.4
69.10926	0.4
71.04980	1.1
79.05486	14.1
81.03411	1.1
81.06606	0.7
81.07047	9.7
83.04973	1.1
83.08609	5.2
84.43814	0.5
85.06529	0.9
91.05470	11.6
93.07038	14.2
95.04956	5.9
95.08601	6.0
97.06504	0.8
97.10166	3.8
97.47507	0.4
105.07018	10.1
105.07712	0.5
107.04938	3.4
107.08580	8.4
107.09315	0.5
108.05716	0.7
109.06503	1.5
109.10137	3.0
111.08092	0.7
115.05434	0.9
116.06187	0.6
117.07004	3.7
119.04915	1.6
119.08563	9.0
121.06512	2.4
121.10135	5.5
123.08063	1.9
123.11646	0.6
125.09612	2.2
128.06166	0.8
129.06958	2.4
130.07780	1.2
131.04945	0.5
131.08553	4.0
133.06479	4.0
133.10109	4.0
133.83298	0.5
134.07248	1.6
135.08028	1.4
135.11659	3.8
137.09595	0.8
142.07794	0.5
143.08580	2.2
145.10091	3.4
147.08052	4.6
147.11685	2.9
149.09618	1.9
149.13243	2.8
151.07509	0.7
157.10091	1.4
159.11699	1.2
161.09586	1.6
161.13275	1.4
162.10428	0.9
163.11134	1.5
163.14787	1.3
165.09116	0.7
171.11697	1.2
175.11189	1.3
175.14835	1.7
185.13231	1.2
189.12695	0.5
203.14438	0.7
217.19521	2.1
223.13283	1.8
241.19521	1.4
245.19196	0.8
249.14713	2.6
249.18506	0.9
259.20523	1.7
261.14780	0.5
262.15588	0.6
273.18405	3.2
291.19531	100.0
291.23056	6.7
292.19885	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1949
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03922	4.7
55.01855	3.6
55.05498	19.3
55.23479	1.5
57.03417	6.0
57.07050	6.4
59.04984	2.8
62.61559	1.4
63.06580	1.6
65.03917	2.9
67.05487	27.1
69.03422	14.1
69.06696	1.8
69.07056	32.8
71.04961	6.0
71.08604	4.1
71.70332	2.2
77.03883	2.1
79.05478	31.2
81.03400	19.1
81.07042	53.0
83.04963	9.9
83.08612	15.4
84.04488	3.9
85.02893	1.9
85.06508	5.6
89.03869	2.8
91.04932	1.9
91.05464	26.6
93.07027	47.7
95.04942	8.5
95.08591	44.3
97.06513	10.7
97.10135	6.8
99.04452	2.2
99.08089	2.3
103.05453	2.2
105.07016	29.0
107.01995	1.6
107.04947	8.2
107.08580	40.6
109.02837	7.0
109.06499	36.3
109.10133	22.0
111.04375	3.0
111.08067	10.4
111.11688	4.0
116.06239	2.1
117.03367	2.6
117.06986	7.3
119.04962	9.2
119.08550	21.0
121.06502	6.5
121.10127	53.9
123.08068	12.0
123.11689	13.3
125.09620	9.0
129.06985	4.0
131.08545	12.6
133.06421	6.3
133.10095	14.0
135.04390	5.5
135.08049	16.7
135.11621	10.1
137.09573	5.8
137.13231	4.5
139.11156	4.9
142.07758	2.7
143.08498	6.0
145.02876	3.1
145.10086	12.5
147.04390	25.3
147.08049	4.5
147.11688	8.2
149.09592	19.3
149.13181	9.9
151.07498	18.7
153.05510	2.9
155.08536	3.1
156.09291	2.2
157.10112	11.8
158.10902	2.1
159.04262	1.7
159.08028	6.4
159.11661	3.8
161.09602	6.2
161.13243	6.3
163.03879	25.6
163.07559	1.6
163.11095	5.2
163.14766	5.6
167.10652	100.0
169.10036	2.3
171.11649	6.7
173.09641	3.3
173.13257	9.3
173.14539	2.0
175.11128	6.1
177.05263	1.5
177.16177	2.3
185.13234	2.4
189.12724	7.4
189.16402	1.8
191.10602	11.1
191.14285	9.6
191.17918	2.5
195.20645	1.6
197.13319	2.1
199.11069	3.0
203.03339	2.6
207.13808	10.8
211.14705	2.1
213.16284	2.5
215.14259	8.2
217.12128	3.5
217.15833	3.6
231.08128	2.0
231.17361	3.0
233.11743	2.0
233.15306	17.9
245.18947	2.2
248.08467	1.9
255.17429	6.0
270.59659	1.6
273.18448	16.0
273.25723	5.6
291.08365	9.6
291.16125	2.4
291.19412	33.1
291.22992	3.2
291.23575	3.2
291.26556	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58265	0.6
53.03923	2.9
54.34301	0.7
55.01850	3.5
55.05233	1.0
55.05501	19.1
57.03407	0.9
57.07063	1.6
59.04984	0.9
62.78208	0.8
65.03912	1.9
67.05135	1.3
67.05495	24.8
69.03419	1.8
69.07061	14.2
70.77582	2.1
71.04965	1.6
71.08633	0.9
73.06538	1.1
79.05482	47.5
81.03418	0.9
81.07043	35.1
83.04964	3.1
83.08611	8.2
85.06519	2.4
90.90331	0.8
91.05462	22.4
93.07030	58.8
95.04958	8.1
95.08591	23.5
97.06508	3.4
97.10162	8.3
103.05428	0.9
105.07013	17.1
107.04953	4.8
107.08578	33.8
109.06496	4.8
109.10146	11.3
111.08055	2.5
115.05402	1.1
117.06966	6.4
119.04916	1.9
119.07734	1.2
119.08559	15.3
121.06477	3.5
121.10129	26.2
123.08058	3.4
123.11682	2.2
125.09624	3.7
129.06978	3.9
131.08522	8.1
133.06458	3.2
133.10109	9.4
135.04385	0.8
135.08040	3.2
135.11668	31.4
136.05966	0.7
137.09564	1.3
141.04227	0.8
143.08574	4.4
145.10095	6.9
147.08025	4.9
147.11646	7.4
149.09605	3.3
149.13228	17.5
151.07513	1.3
157.10106	3.1
159.11642	2.9
161.09549	2.4
161.13228	5.0
162.10327	1.6
163.03848	1.6
163.11124	3.5
163.14780	5.1
165.09111	1.0
171.11627	3.3
173.13210	1.9
175.11177	2.1
175.14851	3.0
177.12692	1.6
185.13225	2.4
187.14857	1.0
189.11192	1.1
189.12723	2.2
199.14769	1.4
207.13707	1.3
209.15274	1.5
217.19481	1.2
223.13298	1.9
231.17444	0.9
231.21204	0.8
232.17854	0.8
235.16891	1.2
241.19495	3.2
249.14845	2.9
249.18466	1.5
255.17404	0.9
259.20526	4.3
261.14828	0.8
273.18512	8.4
291.19495	100.0
291.23093	29.6
292.19769	3.0
292.23047	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.8
55.05503	26.3
55.97012	2.0
57.03423	4.3
57.07059	9.6
59.05005	2.2
65.25753	1.6
67.05495	57.2
69.03418	14.4
69.06686	2.6
69.07053	41.5
71.04972	11.2
71.08630	4.4
72.50372	1.7
73.56841	1.6
79.05476	29.0
81.03405	53.7
81.07041	100.0
83.04955	6.3
83.08604	19.9
85.02884	4.1
85.06522	10.2
89.03901	3.8
91.05465	28.7
93.07031	40.8
95.04975	8.4
95.08590	86.6
97.02872	1.8
97.06525	11.3
97.10155	10.1
98.21483	6.7
99.04457	3.7
99.08108	3.5
101.06030	4.4
105.07021	23.4
107.04922	5.7
107.08570	39.0
109.02857	20.7
109.06504	7.7
109.10142	41.8
111.08067	6.3
111.11644	3.8
115.05571	2.1
117.03403	3.7
117.07013	5.5
119.04926	21.4
119.08571	17.2
120.08121	1.9
121.06489	5.2
121.10123	35.6
123.08086	5.7
123.11673	28.8
125.05969	2.5
125.09627	3.7
127.03900	3.0
129.06982	4.8
131.08505	9.4
133.10092	12.2
135.04405	11.1
135.08034	4.9
135.11685	30.1
137.06010	2.0
137.09528	2.5
137.13245	13.4
139.11133	6.5
143.08446	3.3
145.02829	5.7
145.06415	3.1
145.10124	10.1
147.04385	89.7
147.08081	2.4
147.11681	7.0
149.09601	5.9
149.13231	21.0
150.33473	2.0
151.07590	3.0
151.14845	3.0
153.05518	2.2
157.06450	2.9
157.10155	3.0
159.11673	4.6
161.09583	4.1
161.13252	6.2
163.03882	36.5
163.11179	2.9
163.14807	8.9
165.05569	2.1
167.14343	2.4
171.07985	1.9
171.11713	3.3
175.03940	2.0
175.14861	6.1
177.16351	3.9
185.13313	2.0
189.16362	1.8
191.17928	5.2
219.21030	10.0
229.84253	2.0
231.08185	3.2
232.82384	2.1
237.22101	3.6
248.08313	2.6
255.23103	4.3
269.85110	2.0
273.18283	9.0
273.25714	4.0
291.08398	32.2
291.19427	16.6
291.23328	2.8
291.26758	20.9
292.09006	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	291.2677
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
51.87603	0.9
53.03925	3.5
55.01850	3.0
55.05502	22.0
57.07065	13.9
59.04981	2.5
59.27882	1.0
61.60703	0.9
65.03907	1.4
67.05141	1.9
67.05492	37.5
69.03403	3.4
69.07058	59.8
69.55225	9.3
71.04960	3.9
71.08624	7.4
73.06559	1.1
79.05479	22.0
79.98268	1.1
81.03410	8.1
81.07043	100.0
81.25315	1.0
82.07376	1.3
83.04954	3.0
83.08602	20.3
85.02889	1.8
85.06527	12.0
89.03889	1.3
91.05467	11.4
93.07030	40.5
93.73953	1.0
95.04948	1.6
95.08591	92.1
96.08889	1.4
97.02917	1.8
97.06516	7.8
97.10146	7.9
98.20693	1.9
99.08052	6.1
105.07014	13.3
107.08578	51.0
109.02859	4.2
109.06490	2.7
109.10141	51.5
111.08060	11.4
111.11691	7.1
111.26608	1.0
113.09617	1.7
117.03368	1.0
119.04907	3.9
119.08554	13.2
119.78263	1.1
121.10127	33.1
122.10395	1.2
123.08024	2.7
123.11685	54.1
124.11980	1.3
125.09599	3.1
125.13251	1.9
129.07027	1.2
131.08543	2.1
133.10100	7.5
135.04356	1.8
135.11670	30.6
137.09587	1.9
137.13237	26.4
139.11137	6.9
141.12683	1.6
145.10110	3.2
147.04395	14.5
147.11655	10.1
149.13229	24.8
151.07480	1.3
151.11156	1.2
151.14784	3.7
153.12671	6.9
157.10170	1.3
159.11734	1.5
161.13223	6.0
163.03870	10.2
163.14789	14.1
165.05429	1.7
165.16443	1.9
165.29155	1.0
167.14281	4.2
173.13234	1.2
175.14774	3.4
177.16365	11.3
181.15858	1.3
189.16348	4.6
191.17929	5.5
203.17923	4.4
205.19502	2.5
209.18932	1.6
217.19380	4.9
221.19038	2.0
222.24515	1.1
231.08017	1.6
235.20531	2.0
247.24274	2.6
259.07565	1.3
273.18347	1.3
273.25726	10.3
291.08771	5.1
291.19739	4.8
291.26779	44.2
292.27136	3.0
293.25598	0.9
305.37604	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2678
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03931	4.1
55.01849	4.4
55.05506	28.5
57.07076	9.0
59.04970	1.8
65.03926	3.0
66.82325	1.1
67.05499	36.2
69.03425	9.5
69.07063	51.4
71.04974	4.0
71.08611	4.1
71.70518	1.6
79.05485	19.5
81.03413	15.8
81.07048	100.0
83.04966	5.6
83.08614	28.0
84.06332	1.2
85.02884	2.3
85.06525	7.5
85.10167	1.4
89.03892	1.9
91.05469	16.6
93.07036	36.2
95.04958	5.3
95.08597	99.5
96.08897	1.8
97.02869	3.0
97.06516	10.4
97.10156	12.7
99.04435	1.4
99.08075	3.5
100.47605	1.2
105.07027	20.2
107.04916	3.5
107.08582	42.2
109.02863	4.0
109.06506	5.2
109.10146	53.8
110.10473	1.7
111.08077	12.6
111.11704	8.0
113.09599	1.8
115.05370	1.6
117.03344	1.9
117.06976	2.8
119.04939	8.4
119.08565	16.1
121.10134	25.3
123.04421	1.6
123.08041	4.4
123.11701	44.5
125.09605	4.1
125.13213	1.4
127.03859	2.0
129.06955	1.6
131.08527	4.7
133.10114	11.6
135.04381	7.3
135.08086	2.2
135.11681	18.8
137.09616	2.8
137.13225	15.7
139.11137	5.9
141.12714	1.6
143.08554	2.7
145.02850	5.7
145.10063	3.2
147.04391	33.0
147.08023	1.4
147.11678	11.5
148.04706	2.2
149.09584	1.9
149.13237	20.4
151.07520	3.6
151.14767	3.7
153.12711	4.4
157.10072	1.4
159.07916	1.4
159.11719	2.4
161.09653	1.3
161.13266	9.3
163.03894	26.5
163.11073	1.7
163.14825	14.6
164.04230	1.5
165.05402	2.2
165.09052	2.6
165.16345	1.7
167.14340	2.2
173.13266	1.6
175.14763	4.8
177.16377	9.7
179.17844	2.6
185.13168	1.1
189.12759	1.4
189.16319	5.3
191.17888	4.6
203.17950	4.8
207.11887	1.3
207.13786	1.7
209.19070	1.3
217.19516	6.6
231.20824	1.2
233.15236	1.6
235.20509	1.8
245.18933	1.4
248.08284	1.5
249.11331	1.5
273.18469	3.0
273.25699	11.2
284.72757	1.1
291.05896	8.2
291.09009	4.8
291.19437	8.6
291.26749	37.1
292.27090	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	291.2677
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03928	3.8
55.01852	3.9
55.05241	1.6
55.05501	27.1
57.03431	3.0
57.07064	11.5
59.04982	1.9
64.33547	1.2
65.03892	2.0
67.05137	2.1
67.05493	41.2
69.03402	5.6
69.06691	2.2
69.07057	53.6
69.68967	10.4
71.04973	6.9
71.08631	3.1
79.05480	23.5
81.03417	9.4
81.07042	95.8
81.42680	1.2
82.07384	1.4
83.00188	1.3
83.04941	4.1
83.08606	26.8
85.06526	8.7
89.03848	1.6
91.05459	16.7
93.03367	1.5
93.07028	44.3
95.04954	6.5
95.08591	100.0
97.02845	1.5
97.06524	9.6
97.10153	13.5
98.21646	1.5
99.04406	1.6
99.08061	3.1
105.07011	25.8
107.08575	43.8
109.02843	3.7
109.06492	6.2
109.10136	54.8
111.08053	11.5
111.11684	5.2
112.07565	2.4
113.09578	1.4
117.06984	3.8
119.04936	7.7
119.08569	15.8
121.06474	2.2
121.10130	27.0
123.04405	1.7
123.08011	4.1
123.11687	39.8
125.09631	3.2
125.13234	2.9
131.08546	4.9
133.06404	2.1
133.10112	10.2
135.04413	2.6
135.08028	3.1
135.11662	17.9
137.05928	1.8
137.13245	17.8
139.11156	4.1
143.08459	1.9
145.10071	4.4
147.04382	24.9
147.11673	11.3
148.04736	1.7
149.09586	2.4
149.13240	22.5
151.07503	3.4
151.11121	1.8
151.14738	3.3
153.12762	2.7
154.21465	1.7
157.10121	2.9
159.11653	3.2
161.09482	1.7
161.13251	7.1
163.03854	8.6
163.11148	1.6
163.14774	20.8
165.12680	2.4
167.14259	2.1
171.11713	1.5
175.14761	4.1
177.16370	8.5
179.14453	1.4
183.73274	1.2
189.16298	5.0
191.17865	5.1
201.93115	1.4
203.17877	4.5
217.16025	1.3
217.19493	7.7
231.07928	1.7
248.08144	1.2
259.07611	2.2
273.18497	4.8
273.25708	12.4
273.77753	1.2
281.18921	1.2
291.08807	6.0
291.12741	1.7
291.19562	9.2
291.23459	2.8
291.26758	42.4
292.27133	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28431	3.0
67.76186	2.9
69.79026	23.9
98.21403	4.4
119.01891	5.2
132.32603	2.7
143.01845	9.7
150.41068	3.3
161.02943	14.7
161.33301	3.1
161.99516	5.3
173.02888	6.7
203.04007	6.2
208.99623	3.6
213.68835	2.8
293.06293	100.0
294.06839	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	293.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86929	2.5
53.03928	2.9
55.01865	6.2
55.05490	5.2
57.03432	3.1
67.05495	21.8
69.03413	5.8
69.07051	5.7
70.06587	3.8
70.81933	2.5
71.70370	3.3
71.70732	4.0
72.08157	2.9
79.05460	10.6
81.03400	5.6
81.07051	24.4
84.08144	6.9
85.02904	4.0
91.05466	26.9
93.07040	18.6
95.04969	4.8
95.08593	17.5
97.02826	2.8
98.00730	2.8
103.05447	9.5
105.07013	13.8
107.04923	7.4
107.08573	5.3
109.02872	3.0
109.10127	6.5
110.06037	3.8
111.08113	4.0
113.02324	3.6
115.05444	22.7
117.06997	100.0
118.07787	73.5
118.08623	4.4
119.04930	4.1
119.08584	19.9
119.93211	2.9
121.06506	20.5
123.11736	4.9
128.06212	46.2
129.06996	41.8
131.04892	3.6
131.08572	8.8
133.06451	5.3
139.03928	4.1
140.07068	3.8
141.06961	11.2
142.07758	8.8
142.92310	2.6
143.08533	30.1
145.06480	18.7
145.10126	6.5
147.04341	4.3
147.07990	15.7
149.05977	4.4
149.09616	4.0
155.06029	4.5
155.08514	8.2
157.06474	90.4
157.07596	5.3
157.10106	8.4
159.08076	9.7
163.07515	3.2
164.10695	3.5
167.08502	4.0
169.06450	6.1
171.08015	5.7
173.09650	3.5
181.93195	2.7
183.08014	3.8
185.05949	3.6
185.09647	9.0
187.07510	7.9
191.06976	3.6
195.08049	4.5
201.03902	5.6
201.09032	4.5
203.10530	4.7
211.07603	3.2
213.09103	5.0
215.07016	5.6
219.10167	3.4
229.08662	5.9
231.10190	10.9
275.09250	6.7
275.13824	6.6
275.20007	3.3
293.10132	65.0
293.15060	9.1
293.18115	4.6
293.21036	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	293.138
Annotation	40321-98-0
Peak:m/z	Relative Intensity
53.03938	2.8
55.01868	0.4
55.05502	24.1
57.03411	1.3
57.07063	0.4
62.56152	0.3
65.03930	1.5
67.05496	3.1
69.03416	4.3
69.07048	1.3
70.86135	1.0
71.04967	1.3
73.06132	0.5
73.06544	9.3
79.05479	4.2
81.03404	14.0
81.07039	2.4
82.55412	0.3
82.97612	0.3
83.04961	1.0
83.08591	0.7
85.02883	2.1
85.06526	0.4
87.04498	0.5
91.05463	5.8
93.03363	0.7
93.07024	8.2
95.04945	1.7
95.08602	2.3
97.02864	1.4
97.06504	1.0
98.03667	0.4
98.97538	1.1
99.04438	1.0
103.05455	0.7
105.07001	3.3
107.04907	0.8
107.08583	2.3
109.02863	5.0
109.06475	0.8
109.10131	1.6
111.04419	1.1
111.08092	0.5
114.38143	0.4
115.03904	0.3
115.05402	0.6
116.06186	0.5
116.98595	0.5
117.06989	1.1
119.08565	3.0
121.02841	6.1
121.03968	1.1
121.06473	0.7
121.10120	9.1
123.08041	1.2
123.11604	0.5
125.05946	0.4
125.09578	0.4
127.03857	0.6
128.06236	0.5
129.05481	0.5
129.06993	3.1
131.04895	1.0
131.08556	4.6
133.10115	1.1
135.11670	0.9
137.05943	0.6
137.09641	0.5
139.11124	0.4
143.04909	1.2
145.06500	0.8
145.10086	1.0
147.04379	1.0
147.08038	0.6
147.11684	1.0
149.02316	100.0
149.09586	3.9
150.02657	1.1
151.27141	0.4
157.06427	1.0
157.10104	0.4
158.99631	0.4
159.07993	0.6
159.11615	0.7
161.05962	5.3
161.09572	0.4
161.13272	0.6
163.11174	0.4
167.03348	1.6
169.06453	0.4
169.10107	0.4
175.07516	19.4
183.11665	0.4
185.05907	0.8
203.06992	24.1
204.07462	0.4
221.08012	0.5
257.19031	0.4
275.12787	2.8
275.20078	1.9
293.08032	0.4
293.13867	8.2
293.20953	2.7
293.24179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03931	2.3
55.01865	12.9
55.05504	19.1
55.76922	1.3
57.03417	2.9
57.07061	7.7
67.05492	26.0
69.03423	1.4
69.07057	12.2
69.61660	1.3
71.04998	2.4
71.08607	2.1
71.44823	3.5
79.05479	29.7
81.03395	4.7
81.07039	27.8
83.04964	6.3
83.08604	8.8
85.06504	2.9
87.81628	1.4
91.05463	17.5
93.07030	18.3
94.04179	2.3
95.04948	9.6
95.08592	17.2
96.77025	1.5
97.06518	19.0
97.10163	10.6
105.07011	19.1
107.04933	7.3
107.08575	44.9
109.06498	5.9
109.10139	6.8
111.04434	1.9
111.08040	3.2
112.76280	1.6
117.07011	7.8
119.08581	11.6
121.06453	3.5
121.10128	8.0
122.03635	8.5
123.08058	5.3
123.11678	3.9
125.09570	8.2
131.08537	7.8
133.10106	16.5
135.08049	2.8
135.11681	4.5
137.05952	100.0
137.09570	2.2
143.08545	1.6
145.10129	11.0
147.11711	9.2
149.09608	13.4
149.13235	2.8
151.11145	4.9
152.53127	1.5
153.05547	2.1
157.10155	3.4
158.15326	2.1
159.11655	7.4
161.13271	2.8
163.11195	3.6
165.09093	1.4
167.10649	1.5
169.10123	1.9
171.11699	3.1
173.13277	2.2
175.11087	1.5
177.12717	2.8
181.04936	2.1
183.11812	1.8
187.11194	2.8
189.11127	7.0
191.10655	3.9
195.10172	1.9
209.11702	8.7
229.19475	3.5
237.11111	10.1
239.17905	3.8
247.20479	3.8
257.19003	6.4
275.20004	52.6
276.20255	2.2
293.18124	2.0
293.21048	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2105
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03930	6.0
55.01852	9.6
55.05504	23.2
57.03417	2.7
57.07053	3.5
58.43207	2.0
61.64096	2.0
63.64488	1.9
67.05494	44.2
69.03430	3.4
69.07063	24.2
70.88832	4.4
70.89233	4.4
71.04961	3.8
74.99061	1.8
79.05480	42.8
81.03392	5.9
81.07043	100.0
83.04953	7.6
83.08615	12.3
91.05465	30.8
93.07031	29.4
95.04953	19.5
95.08601	30.2
97.06503	7.5
97.10136	6.0
105.07008	36.7
107.04938	8.3
107.08578	22.2
109.06493	28.5
109.10145	14.6
111.08035	6.4
117.07018	10.5
119.08557	28.3
121.06466	4.6
121.10104	15.7
123.08015	16.6
123.11655	8.4
125.09570	3.0
131.08595	11.9
133.10114	19.2
135.08015	5.8
135.11652	7.9
137.05925	4.9
137.09595	9.3
139.11177	2.3
145.10080	10.3
147.11644	23.7
149.09575	11.3
149.13202	3.6
151.11195	6.3
157.10132	4.0
159.11678	6.9
161.13222	5.5
163.11186	10.2
165.12729	3.4
171.11642	3.2
173.13228	7.1
175.11093	3.7
177.12695	3.2
183.11685	3.2
193.12228	2.6
205.12209	2.1
229.19545	3.5
239.17892	4.5
247.20450	6.0
257.18988	7.7
275.20038	69.3
276.20291	3.0
293.21005	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2105
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
55.01865	33.0
55.05500	40.8
55.24018	3.4
57.84103	3.7
59.78044	3.6
67.05494	39.9
69.07063	12.2
70.04077	23.1
79.05479	84.1
81.07055	26.4
83.04974	6.0
83.08602	18.9
91.05476	26.6
91.57353	3.4
93.07021	34.3
95.04965	9.9
95.08563	7.6
97.06514	41.1
97.10156	29.3
97.38274	3.4
105.07015	26.8
107.04932	40.1
107.08574	55.2
109.06510	7.3
109.10140	16.2
117.06982	9.0
119.08571	19.2
121.10124	15.8
123.11723	8.2
125.09609	32.5
129.06926	4.1
131.08571	9.2
133.10081	22.3
135.08037	10.5
135.11615	4.6
145.10147	7.5
147.11667	14.6
149.09581	75.7
151.11223	4.0
153.09109	4.3
159.11687	6.9
161.13194	4.9
173.13222	6.5
189.11246	22.1
229.19556	10.5
239.17982	4.9
247.20587	4.4
257.19040	20.2
261.43991	3.7
275.20044	100.0
276.20288	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	293.2104
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03925	2.2
55.01869	9.0
55.05236	1.7
55.05501	32.2
57.07064	1.5
59.04980	1.9
59.51019	1.4
67.05492	25.5
69.03405	1.8
69.07049	8.8
69.54405	12.9
71.04958	2.3
79.05476	53.7
81.03394	3.3
81.07037	24.7
83.04954	5.4
83.08607	15.2
91.05454	30.8
93.07033	25.9
95.04975	6.9
95.08585	16.2
97.06526	6.8
97.10143	24.5
105.07014	32.7
105.07719	2.6
107.04926	10.4
107.08573	100.0
108.08920	2.1
109.06509	7.3
109.10106	7.0
111.08099	2.5
117.06981	6.2
119.08555	16.1
121.10120	6.7
123.08067	2.9
123.11703	2.9
125.09605	20.6
129.06952	1.8
130.07713	2.0
131.08534	11.1
133.10091	18.6
135.08052	3.6
135.11670	5.3
137.09570	1.8
143.08528	2.6
145.10091	15.2
147.11652	14.2
149.09604	15.8
151.11154	2.9
152.64784	1.5
153.09091	1.6
155.08563	1.6
157.10136	3.1
159.11684	5.8
161.13223	3.7
163.11177	5.2
165.06783	1.6
169.10138	2.1
171.10075	2.6
171.11650	2.7
173.13234	3.5
180.79500	1.4
181.12183	2.2
187.11139	1.5
189.11209	15.5
197.13110	2.2
229.19357	2.3
239.17833	6.0
247.20589	2.4
257.19012	8.0
262.17548	1.4
275.20010	68.4
276.20511	3.9
293.21149	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	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03926	6.8
55.01873	25.5
55.05511	28.5
57.03425	7.9
58.46239	2.5
67.05186	3.1
67.05497	37.2
69.03416	3.2
69.07065	23.8
71.04990	4.8
79.05484	56.4
81.03414	14.6
81.07048	50.0
83.04958	10.4
83.08616	16.2
91.05467	39.1
93.07033	43.2
95.04964	14.4
95.08595	34.0
97.06510	24.9
97.10161	13.4
105.07013	46.1
107.04972	11.5
107.07914	5.0
107.08587	67.6
109.06491	15.2
109.10147	18.1
111.08051	3.6
117.06992	11.4
119.08579	26.0
121.06463	6.2
121.10139	16.8
123.08041	10.2
123.11666	4.2
125.09614	13.6
129.06995	4.6
131.08574	18.0
133.06537	2.6
133.10118	24.4
135.08052	6.7
135.11652	7.9
137.09590	5.1
137.13171	2.8
141.07014	3.0
143.08496	6.7
145.06491	3.7
145.10081	15.4
147.11685	17.9
149.09604	23.9
149.13245	3.7
151.11157	8.5
157.10080	5.9
159.11671	16.1
161.13257	6.0
163.11157	11.1
165.09085	6.1
171.11626	2.9
173.13234	6.4
175.11249	3.3
177.05428	8.7
177.12712	3.9
178.06255	6.1
183.69249	2.6
185.13211	6.9
187.11107	4.1
189.11186	9.3
197.13286	4.8
203.14265	6.1
213.16341	2.8
219.17380	15.6
221.15408	2.9
229.19504	3.2
229.59689	3.5
233.11725	7.5
239.17915	5.4
247.20598	6.5
257.18973	17.0
275.20050	100.0
293.20993	28.4
297.26822	2.4
298.42810	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03930	5.9
55.01870	25.0
55.05502	36.6
56.21103	1.9
57.03434	2.3
57.07058	3.5
59.27142	1.9
65.03925	3.7
67.05499	44.2
69.03410	4.3
69.07066	23.2
70.54829	2.2
70.92986	5.4
71.04954	2.4
79.05484	63.1
81.03407	9.7
81.07046	42.8
83.04971	7.6
83.08609	20.2
85.06558	2.7
87.59237	2.0
91.05467	42.2
93.07026	42.0
95.04977	16.4
95.08591	27.9
97.06511	29.0
97.10152	17.9
105.07019	50.5
107.04954	16.2
107.08580	90.1
109.06522	11.3
109.10141	15.3
111.04432	2.3
111.08083	3.8
116.24995	2.0
117.07028	11.9
119.06108	2.8
119.08568	26.5
121.06490	8.4
121.10125	16.4
122.03671	3.8
123.08050	6.6
123.11692	5.4
125.09616	16.3
129.06975	2.9
131.08569	16.9
133.06453	2.6
133.10123	26.9
133.14090	2.0
135.08037	7.1
135.11652	9.4
137.04936	3.2
137.05969	43.5
137.09578	5.1
141.12779	2.8
143.08549	3.5
145.10136	19.6
147.11700	15.4
149.09612	23.8
149.13266	3.8
151.11159	8.5
155.08583	2.4
155.45810	1.9
157.10124	4.2
159.11717	13.3
161.09558	2.7
161.13229	5.1
163.11156	9.0
165.09100	7.6
169.10155	3.6
171.11742	3.8
173.11676	2.3
173.13239	5.5
177.12753	5.9
183.11758	2.4
187.11154	4.3
189.11215	16.6
197.13301	3.9
223.13167	3.4
229.19499	5.5
239.18004	6.0
247.20590	9.1
257.19022	11.0
275.20029	100.0
276.20352	2.6
293.21042	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03927	5.6
55.01862	7.7
55.05507	22.7
57.03430	3.8
57.07063	8.4
67.05497	42.0
68.52568	1.7
69.03450	2.1
69.07066	39.6
69.56094	17.0
71.04967	3.8
79.05479	40.6
81.03419	5.5
81.07046	100.0
83.04966	7.6
83.08598	10.3
85.06544	3.6
86.31081	1.7
91.05470	37.9
92.01067	2.0
93.07030	32.3
95.04965	18.9
95.05527	2.5
95.08602	28.3
97.06503	6.2
97.10143	5.7
105.03308	2.0
105.07019	40.8
107.04941	9.4
107.08585	26.1
109.06509	21.9
109.10135	21.7
111.08082	6.4
113.06004	2.6
115.07571	6.9
117.07021	9.1
119.08568	36.7
121.06479	4.8
121.10139	13.2
123.08039	8.7
123.11701	7.1
127.07459	2.2
129.01076	3.7
129.07021	3.6
131.08562	15.4
133.06554	2.6
133.10117	27.5
135.08038	8.2
135.11693	7.4
137.09590	10.7
141.01012	4.8
145.10092	15.4
147.08002	2.0
147.11681	17.6
149.09596	11.2
149.13249	3.8
151.11165	8.0
155.02664	2.4
155.08521	2.6
157.10086	2.4
159.11693	8.5
161.09583	2.5
161.13248	3.2
163.11180	8.3
165.12714	3.2
173.13258	5.7
175.11224	4.0
193.12320	2.0
197.07240	19.4
197.13246	2.2
239.17903	3.0
247.20500	7.0
257.19016	7.6
275.20010	52.1
293.21103	37.2
294.10049	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.81941	2.5
53.03925	6.1
53.55271	2.4
55.01865	17.6
55.05500	43.2
57.03418	3.9
57.07066	5.0
59.04990	3.2
61.50731	2.7
65.03923	2.9
66.50685	2.2
67.05492	67.7
69.03398	4.2
69.07057	43.6
70.73982	7.4
71.04979	7.5
71.08627	3.9
79.05476	58.5
81.03405	18.0
81.07042	100.0
83.04974	11.5
83.08613	26.1
85.06509	5.3
91.05457	39.4
92.14777	2.4
93.07030	41.6
95.04944	18.9
95.07995	5.0
95.08585	64.1
95.91509	2.3
97.06515	19.9
97.10150	20.9
105.07009	45.7
107.04929	12.3
107.08581	52.5
109.02834	3.9
109.06519	20.3
109.10146	40.8
110.46476	2.4
111.08035	7.3
117.07028	11.7
118.09646	2.5
119.08566	29.2
120.26214	2.6
121.06464	7.5
121.10136	20.8
123.08034	9.8
123.11646	9.6
125.09614	15.1
129.06979	4.5
131.04913	5.9
131.08568	16.9
133.10101	24.4
135.08011	7.4
135.11674	17.7
137.09593	9.3
137.13220	3.0
139.11160	4.5
145.10085	22.9
147.08044	3.4
147.11671	19.5
149.09596	20.7
149.13220	10.7
151.11137	10.4
157.10138	3.1
159.11650	8.3
161.13217	6.3
163.11176	10.6
165.09070	5.9
165.12672	4.1
168.09206	2.4
169.10138	2.9
171.11723	3.2
173.09528	3.2
173.13248	5.4
175.11115	3.0
177.12706	4.0
183.11803	2.8
187.11017	2.6
187.14674	2.3
189.11203	7.2
193.12244	2.4
197.13197	3.5
210.52475	2.6
223.13329	3.9
229.08678	2.7
239.18062	3.3
247.20549	9.1
251.99864	2.2
254.53606	2.7
257.18997	15.8
275.20007	98.8
288.56650	2.7
291.64380	2.7
293.14612	2.1
293.21085	28.5
293.28345	9.8
301.03671	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	293.2105
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
52.61547	1.1
53.03936	2.4
55.01854	3.5
55.05503	11.2
57.03428	1.3
57.07055	2.8
60.81551	1.2
63.07016	1.3
65.03922	1.8
67.05493	25.1
69.03397	1.4
69.07056	22.9
69.68425	10.1
71.04985	2.8
79.05476	18.0
81.07039	30.3
83.04960	6.6
83.08605	3.8
85.06538	1.8
91.05466	20.0
93.07029	21.7
95.04966	8.8
95.08586	19.1
97.06524	3.4
97.10139	3.0
105.07003	21.6
107.04926	6.0
107.08586	14.4
109.06507	9.8
109.10139	8.6
111.08017	1.4
117.07005	5.3
119.08570	13.0
121.06511	9.7
121.10130	9.3
123.08054	4.8
123.11710	2.9
123.17639	1.3
125.02419	1.3
125.09591	1.5
129.07021	1.6
131.08556	13.7
133.06447	3.0
133.10104	18.7
135.08052	4.4
135.11665	4.4
137.09604	1.7
143.08554	2.4
145.06456	2.7
145.10109	13.0
147.08064	2.2
147.11679	10.9
149.09605	4.4
151.11182	6.7
155.08534	2.4
156.35939	1.5
157.10072	3.5
159.08022	1.5
159.11649	5.6
161.09630	2.0
161.13240	2.9
163.11153	4.7
169.10110	1.5
171.11670	2.3
173.09573	2.5
173.13269	4.6
175.11113	1.9
177.12746	3.2
179.14253	1.5
191.14272	3.1
197.13213	2.3
201.12683	3.1
207.13809	2.4
219.13837	4.7
229.19472	1.9
239.17821	2.7
247.20424	3.0
257.18958	12.6
275.20016	100.0
276.20392	3.6
293.20950	24.6
294.20877	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2105
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03931	19.9
55.01863	26.0
55.05508	32.4
56.44341	4.3
57.03440	4.1
57.07054	8.2
67.05494	68.0
69.03419	3.9
69.07053	36.3
70.04051	17.0
70.04467	9.2
71.69373	3.8
72.71651	4.1
73.67963	4.2
79.05484	47.8
81.03409	24.4
81.07044	86.4
83.04971	13.4
83.08594	17.4
91.05468	35.9
93.07030	53.8
95.01302	3.8
95.04970	23.6
95.08581	43.3
97.06525	27.3
97.10155	4.9
98.20789	8.7
105.07013	56.6
107.04952	18.7
107.08578	38.4
109.06497	14.4
109.10143	17.2
117.06978	11.6
119.08579	30.8
121.06461	8.7
121.10113	15.8
123.08041	11.4
123.11706	7.2
125.09588	13.9
129.07076	5.0
131.08560	21.4
133.06548	5.8
133.10112	33.7
135.08047	10.2
135.11690	11.7
137.09550	8.4
145.10089	18.1
147.11687	12.6
149.09593	15.0
149.13283	6.7
151.11151	5.3
157.10091	6.8
159.11652	23.0
161.13184	10.0
163.11134	9.0
165.12700	4.7
169.10152	5.7
173.13062	7.6
175.11232	6.7
177.12672	7.9
179.14325	9.4
187.11223	4.8
191.10687	6.2
237.11145	6.6
247.20464	8.0
257.19009	11.5
257.93549	4.1
275.20032	100.0
293.21039	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	293.2106
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
51.93544	1.5
53.03930	3.2
53.73944	1.4
55.01849	4.1
55.05506	16.1
57.03424	18.3
57.07056	6.2
58.23851	1.5
67.05492	27.3
68.19599	1.3
69.07059	11.6
71.04971	3.8
79.05482	23.0
81.03391	4.0
81.07037	32.3
83.04968	5.7
83.08612	7.2
84.02150	1.5
85.06525	4.2
88.59126	1.4
91.04922	2.0
91.05467	25.1
93.06495	2.5
93.07029	25.6
95.04946	13.0
95.08591	28.4
97.06497	6.3
97.10148	2.4
98.20657	3.6
99.04409	2.6
99.08057	1.4
105.07009	20.4
107.04928	5.8
107.08572	20.1
108.82336	1.5
109.06491	8.2
109.10137	11.3
111.04457	2.7
111.08060	3.3
117.07008	10.4
119.08566	18.7
121.06488	3.2
121.10127	11.1
123.08033	6.8
123.11710	2.9
125.09617	3.9
129.06975	3.2
131.08539	16.8
133.10139	10.8
135.07997	2.9
135.11667	7.1
137.09607	7.3
143.08556	2.2
145.10094	9.3
147.11667	5.7
149.09599	6.4
149.13234	1.8
151.11140	4.9
155.10609	1.9
157.10164	2.7
159.11670	6.7
161.13217	4.1
163.11156	3.8
173.13182	3.1
177.12794	2.2
180.13461	1.5
181.04874	1.7
185.13153	3.1
189.11110	1.8
191.10661	2.6
197.19159	1.4
201.16383	6.6
203.14265	4.7
209.11720	3.0
219.17404	100.0
220.17805	2.9
221.15413	3.2
229.32280	1.5
237.11189	5.5
239.17885	1.9
247.20587	2.4
257.19031	4.6
275.20010	23.2
293.21057	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.247
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
52.00718	0.8
55.05501	8.9
57.07064	1.2
60.40884	0.8
65.03921	2.3
67.05494	86.0
68.05824	1.8
69.07061	8.4
71.08600	1.0
71.17076	1.2
71.17407	1.4
73.06545	0.9
74.96610	0.8
77.26905	0.7
79.05479	13.9
81.07043	100.0
82.07356	1.4
83.04939	0.8
83.08600	6.2
85.06522	1.5
91.05466	5.0
93.07035	11.4
95.08590	73.4
96.08942	1.2
97.06510	2.2
97.10149	2.6
99.82646	0.7
105.07001	3.4
107.08576	9.9
109.10139	38.9
110.10484	1.5
111.08080	1.1
111.11699	0.9
117.07018	1.3
119.08552	3.6
121.10122	6.9
123.08059	1.7
123.11687	27.4
123.88445	0.9
131.08565	4.1
133.10149	3.7
135.11673	5.7
137.09593	2.3
137.13228	10.6
139.11177	1.1
145.10109	3.5
147.11673	2.4
149.09619	1.4
149.13229	3.9
151.11121	2.0
151.14821	2.2
159.11638	2.5
161.13205	2.6
163.11142	1.5
163.14816	3.8
165.12775	1.3
165.16470	0.8
173.13229	4.4
177.12729	2.5
177.16391	1.8
179.14384	1.1
187.14778	3.7
191.14333	2.4
205.15884	2.0
209.11467	0.8
209.15248	0.8
233.22580	1.1
237.18535	1.1
243.20995	4.9
261.22076	8.3
262.22485	0.9
293.24692	24.0
294.25021	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2835
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
52.76170	1.3
53.03921	5.0
55.01859	3.0
55.05506	28.1
57.06838	1.4
57.07067	17.6
61.35499	1.4
65.03894	2.4
67.05497	42.7
69.03412	3.3
69.07061	54.5
70.25992	2.3
70.26397	6.0
71.04990	3.3
71.08625	7.1
71.64310	1.2
75.65685	1.2
79.05482	22.0
81.03407	9.5
81.07046	92.5
83.04982	2.8
83.08607	39.3
85.02896	2.6
85.06525	12.7
85.10164	3.3
91.05466	12.3
93.07035	33.1
95.04942	5.1
95.08594	100.0
97.02862	1.3
97.06500	5.8
97.10159	18.3
99.08085	7.3
103.05434	1.6
105.07022	9.0
106.48750	1.3
107.04896	2.3
107.08585	31.6
109.02807	3.3
109.06476	4.0
109.10136	58.6
110.06109	1.4
111.08058	8.6
111.11702	9.8
113.09628	2.2
117.07040	2.5
119.04898	1.6
119.08552	7.3
121.10126	24.7
122.10430	1.3
123.08061	1.7
123.11690	36.8
125.09621	5.2
125.13239	3.8
131.04865	2.4
131.08554	3.0
133.10081	4.4
135.07993	1.7
135.11688	11.6
137.12225	2.4
137.13231	28.5
139.11209	3.2
139.14798	2.2
145.10100	3.4
147.04387	4.7
147.11617	4.3
149.09613	4.6
149.13234	24.6
151.14804	6.6
153.12706	3.7
159.11658	1.8
161.13194	1.7
163.11118	2.8
163.14781	7.6
165.16429	2.9
167.14285	6.0
173.13242	3.1
175.11182	1.8
175.14893	1.5
177.16353	2.9
179.17879	3.3
183.11600	1.6
191.17955	2.2
193.39328	1.5
205.19539	2.5
212.67924	1.6
219.21095	2.9
237.22159	2.0
249.25731	2.4
257.18881	1.9
275.20035	13.4
275.27271	3.8
293.13919	2.9
293.21100	8.8
293.28329	45.1
294.21234	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25913	1.0
51.02371	1.5
53.03937	3.4
55.01850	2.8
55.05239	1.6
55.05505	30.0
56.52242	1.1
57.03420	1.7
57.06829	1.6
57.07070	15.6
65.03938	1.9
67.05495	36.8
69.03416	4.2
69.07060	55.2
69.99885	6.7
71.04976	4.1
71.08621	7.8
79.05483	19.1
81.03410	12.3
81.07047	100.0
83.04974	3.0
83.08609	32.4
85.02897	4.8
85.06534	10.4
85.10181	2.5
91.05476	11.4
91.98035	1.0
93.07037	35.5
95.04956	5.9
95.08593	97.1
96.08898	1.3
97.02871	1.5
97.06513	4.7
97.10161	13.0
97.33021	1.1
97.67525	1.1
98.20772	1.6
99.04436	1.8
99.08075	9.4
101.05993	1.8
103.05480	2.5
105.07017	10.2
107.04924	2.4
107.08578	34.6
109.02864	3.9
109.06530	3.9
109.10143	50.8
111.04443	1.7
111.08076	7.2
111.11692	8.6
113.09637	2.8
117.07011	2.8
119.08566	6.6
121.06480	2.3
121.10132	21.8
122.07121	1.2
123.04469	1.5
123.08022	1.4
123.11693	34.7
125.09612	4.3
125.13268	3.5
127.03899	1.9
129.07028	1.1
131.04901	4.6
131.08551	3.3
133.10146	2.6
135.08047	2.3
135.11684	10.0
137.09622	1.4
137.13235	26.7
139.03963	1.3
139.11147	3.1
143.08511	1.8
145.10114	1.6
147.04358	4.3
147.11653	3.8
149.09605	3.2
149.13232	19.0
151.14755	6.7
153.12698	1.9
157.10106	1.7
161.09741	1.3
163.11079	1.4
163.14812	6.4
165.16359	1.7
167.14265	9.5
169.10028	1.2
170.23590	1.4
177.16350	2.7
179.17900	2.7
180.55751	1.3
183.11499	1.7
191.17929	1.4
193.19476	1.3
205.19499	2.8
238.97511	1.3
249.25864	1.4
275.20041	5.0
275.27454	5.4
293.08160	2.8
293.13947	4.5
293.21213	5.1
293.28323	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2833
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
50.04551	1.5
55.01849	1.7
55.05502	28.2
57.07065	22.0
67.05494	34.1
69.03401	1.8
69.07057	56.8
71.08624	8.7
71.15739	3.6
74.25330	1.4
79.05482	14.8
81.03413	1.8
81.07041	92.2
83.08605	36.5
85.06523	14.0
85.10152	3.5
91.05450	7.4
93.07029	28.0
95.04971	2.0
95.08587	100.0
97.06509	4.4
97.10156	16.9
99.08060	10.5
105.06998	4.1
107.08572	37.2
109.10140	55.8
111.08088	9.8
111.11712	9.0
113.09644	2.6
119.08537	2.8
121.10126	20.1
123.11687	46.6
125.09596	6.4
125.13239	5.2
131.04919	2.1
135.11681	11.2
137.13226	29.1
139.11107	3.3
141.95938	1.4
147.04445	1.7
149.02229	1.5
149.13220	30.5
151.14804	4.8
153.12688	4.1
163.14836	7.4
165.16338	3.9
167.14244	12.1
177.16257	2.6
179.17896	2.6
191.17897	1.8
193.19371	2.0
205.19550	2.7
219.21092	1.6
237.25427	1.4
249.25771	2.8
275.27219	8.3
293.28320	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29940	0.5
53.03943	1.5
55.01862	1.6
55.05232	1.2
55.05503	23.7
57.03418	1.8
57.07067	18.1
59.04987	0.9
65.03938	1.0
67.05496	34.7
69.03426	2.3
69.07059	50.9
69.48397	0.6
70.07387	0.7
71.04980	2.8
71.06797	0.5
71.08613	6.9
71.70175	0.5
73.06545	0.6
78.04714	0.6
79.05481	14.0
81.03419	4.4
81.07044	96.6
82.07379	1.6
83.04977	1.5
83.08607	29.1
84.08944	0.7
85.02920	1.0
85.06531	11.7
85.10168	2.6
86.09694	1.0
91.05474	6.8
93.07030	24.9
94.08289	0.5
95.04958	3.2
95.08592	100.0
96.08932	1.9
97.06519	5.0
97.10151	14.6
99.08086	7.1
103.05480	2.1
105.07031	4.9
107.04971	1.3
107.08580	30.7
108.08823	0.6
109.02873	1.0
109.06496	2.6
109.10141	55.7
110.10573	0.7
111.04409	1.1
111.08057	8.4
111.11695	7.5
113.09610	1.4
116.98674	0.6
117.06973	1.4
119.08567	3.8
120.08130	1.1
121.06538	1.2
121.10127	19.0
123.08065	1.5
123.11691	42.8
123.39268	0.6
125.09612	3.5
125.13244	3.9
127.01870	0.6
127.11213	0.7
129.06975	0.9
131.04909	5.3
131.08569	2.1
131.48016	0.6
133.10086	2.2
135.08025	1.4
135.11687	9.6
137.13232	32.6
139.07585	0.7
139.11151	2.2
139.14822	1.2
142.07690	0.8
145.06546	0.8
145.10068	1.3
147.04366	2.1
147.11639	1.6
149.02390	0.7
149.09503	1.4
149.13231	22.4
151.11243	0.6
151.14799	5.1
153.12700	3.5
155.14349	0.7
157.10138	0.7
159.11723	0.9
161.09724	0.6
161.13269	0.8
163.11188	1.1
163.14760	6.6
165.16371	3.0
167.14305	11.8
169.15857	0.9
175.11305	0.6
177.16380	2.3
179.17867	2.9
183.11748	0.6
191.17935	2.1
193.10114	0.7
193.19502	1.7
204.23965	0.6
205.19514	1.2
219.21075	1.7
237.22169	0.9
249.25755	2.2
251.17902	0.6
275.16840	1.0
275.20044	3.3
275.27243	4.6
281.65817	0.6
293.07922	1.4
293.15012	0.8
293.20837	3.0
293.28320	31.2
294.28702	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2834
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03938	4.7
55.01852	3.1
55.05501	28.0
57.03418	2.4
57.07067	15.8
67.05493	37.7
68.13907	1.8
69.03417	6.0
69.07056	49.9
69.59871	12.9
69.60278	2.8
71.04971	5.7
71.08609	9.2
78.37403	1.7
79.05473	24.4
81.03402	14.5
81.07041	100.0
82.07350	1.8
83.04958	4.2
83.08607	26.0
85.02876	4.2
85.06549	11.6
85.10163	2.9
87.04416	1.9
89.19650	2.0
91.05450	18.3
93.07037	35.0
95.04945	6.3
95.08591	91.7
97.02856	2.6
97.06517	8.5
97.10147	14.9
98.21453	1.8
99.08079	6.2
102.15617	1.7
103.05451	6.6
105.07018	16.1
107.04914	4.9
107.08576	33.5
109.02850	4.1
109.06496	5.4
109.10136	52.9
111.08071	6.4
111.11690	6.0
113.09598	2.2
117.06999	3.9
119.04884	2.2
119.08576	10.0
121.06484	2.7
121.10122	20.3
123.08041	3.2
123.10770	2.6
123.11678	37.7
123.22400	1.7
125.09599	5.5
125.13268	2.2
127.03918	2.0
128.06181	3.1
131.04910	20.4
131.08536	5.9
133.10074	10.5
135.04448	1.8
135.08023	2.9
135.11656	11.2
137.05910	2.6
137.09605	1.7
137.13237	20.0
139.11118	2.3
141.06946	2.4
143.08505	2.0
145.10065	4.5
147.04379	6.5
147.11673	7.0
149.02348	4.8
149.05927	2.1
149.09644	4.6
149.13234	20.0
151.14784	6.0
157.06543	2.1
159.11696	4.9
161.09583	2.1
161.13280	4.0
163.11172	3.3
163.14841	4.5
167.14304	8.0
173.13263	2.6
175.11191	1.7
175.14607	2.2
177.16396	3.7
179.17761	2.1
183.11732	2.0
191.18004	2.3
197.13211	2.3
205.19656	2.0
207.08044	1.8
209.19057	2.0
219.21130	2.5
257.18811	2.8
275.16867	2.9
275.20026	13.0
275.27124	2.9
293.08026	1.9
293.14923	5.6
293.17908	3.1
293.20871	8.9
293.28302	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39022	0.5
53.03934	0.8
53.32875	0.5
55.05511	3.2
56.96543	1.7
57.03423	1.2
58.06596	1.0
58.52650	0.5
60.04521	3.9
61.02911	1.5
64.92974	0.6
65.44270	0.5
67.05486	1.4
69.03421	4.5
70.06574	0.6
71.04974	0.7
71.34052	0.9
72.04508	9.9
72.08149	10.7
73.02903	1.0
73.06548	6.7
79.05492	0.9
81.03408	3.2
81.07057	0.6
84.08140	6.1
84.95973	0.6
85.02898	9.9
86.06064	0.6
86.09698	1.0
87.04458	0.9
88.07622	1.4
90.09182	10.8
91.05436	0.7
93.07014	0.6
95.04958	0.7
97.02877	4.6
97.06508	0.9
98.97564	2.8
101.06024	0.6
105.07003	0.8
109.02884	1.3
109.06539	0.7
110.42627	0.6
110.97552	1.1
111.04461	1.1
114.09157	50.6
115.49426	0.5
116.98618	2.4
121.06522	1.2
127.03917	2.0
128.98604	1.6
132.10190	100.0
133.10518	0.8
136.07567	0.6
142.13313	0.6
145.04980	2.1
146.99678	1.0
149.05966	1.2
151.07549	1.0
154.08588	1.3
155.04652	2.0
158.99661	0.8
161.01224	0.7
164.05170	0.8
166.08694	1.1
168.05437	1.8
177.00661	0.9
177.05951	4.0
197.01369	0.6
204.08643	1.5
204.25566	0.6
205.03378	0.6
213.07079	0.6
213.08904	1.6
227.06731	1.0
277.11926	0.7
294.10831	0.8
294.15469	1.5
294.18341	0.7
295.12875	1.2
295.16498	1.3
299.04456	0.9
309.08267	0.8
317.05603	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2062
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.01874	0.4
55.05496	0.2
57.07057	0.6
67.05483	1.0
69.07072	0.5
69.42396	3.0
71.08611	0.4
77.74490	0.3
79.05483	1.1
81.07044	2.6
91.05466	1.1
93.07027	0.5
94.04176	2.4
104.34431	0.3
105.03296	0.3
105.07023	0.3
107.04940	0.4
107.08588	0.6
109.06506	0.8
122.03640	7.8
123.11691	1.9
137.05960	100.0
138.06273	1.5
146.10524	0.3
158.15384	1.2
160.11957	0.3
170.15367	1.3
247.70729	0.3
248.94347	0.2
276.20404	0.8
294.20978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.0
55.01846	16.6
55.05502	8.8
56.96552	7.7
57.03410	19.7
61.02908	7.7
67.05464	22.0
69.03420	73.6
69.07040	9.5
70.06585	11.6
71.01344	8.5
71.04968	14.9
71.69057	8.3
71.69500	7.1
72.08138	6.9
73.02886	7.8
79.05473	33.9
81.03398	44.6
81.07059	27.4
83.04972	6.7
84.04483	6.3
84.08105	29.8
85.02888	48.3
85.06516	5.7
86.09674	9.4
87.04448	13.6
91.05453	45.3
93.07027	31.1
95.04935	16.8
95.08591	53.2
97.02857	21.2
99.04428	15.9
99.05519	5.7
103.03921	5.5
103.05444	11.8
105.07013	87.4
107.04944	23.1
107.08545	16.8
109.02833	16.6
109.06483	31.8
109.10125	7.9
111.04425	7.0
115.03892	7.8
115.05517	11.5
116.07054	8.6
116.61916	4.7
117.07002	23.1
119.04913	9.2
119.08530	13.0
120.08080	22.2
121.02819	6.5
121.06468	22.4
123.04417	10.5
123.08032	27.1
127.03898	20.4
128.06161	5.5
129.06979	13.0
131.04915	57.1
131.08534	12.1
132.95778	14.8
133.06465	73.4
133.10152	4.9
135.04378	8.2
135.08011	22.4
137.05959	6.2
139.11172	4.9
141.06969	5.2
145.06432	21.4
147.04434	8.6
147.08037	11.4
148.03897	5.2
148.07494	6.9
149.05943	22.4
150.07658	24.5
150.96861	16.9
151.07504	94.2
152.07004	5.9
154.76773	5.5
157.06396	6.0
159.07938	10.7
161.05959	8.8
163.03909	11.0
163.07487	14.4
166.08641	11.1
167.08549	5.0
171.07976	10.3
174.96866	27.0
175.07472	15.9
187.07416	12.2
191.20264	5.1
192.97899	7.9
199.07510	4.9
204.97891	5.9
234.99075	7.5
247.09514	7.1
259.09750	6.2
277.10959	19.5
295.01086	5.5
295.11615	100.0
295.16315	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.7
55.01865	2.5
55.05495	2.8
55.90644	0.8
56.05022	2.9
56.96555	11.5
57.03405	2.0
57.07068	0.9
60.95854	1.1
61.02908	4.1
65.03918	2.7
67.05497	9.1
68.05016	10.9
69.03411	10.7
69.07048	2.4
70.03757	0.9
70.06581	6.8
70.90206	3.0
71.04977	2.0
72.08157	2.4
72.81031	1.0
73.02913	4.9
79.05473	8.0
80.05005	4.0
81.03402	14.1
81.07045	7.0
82.03724	1.1
82.06553	1.5
83.04955	3.6
84.04518	2.0
84.05318	0.9
84.08128	100.0
84.96030	2.7
85.02882	11.9
85.06533	2.7
85.08451	1.3
86.06058	0.9
86.09700	5.1
87.04425	1.4
87.10042	1.8
90.09205	1.1
91.05463	10.7
92.05822	0.9
93.07034	2.7
93.42348	0.9
94.06525	0.9
95.04957	6.5
95.08582	2.6
96.08076	1.1
97.02878	9.2
97.06519	1.7
98.06023	2.8
98.97569	10.1
99.04428	2.8
101.00843	1.7
101.20708	1.0
103.05475	1.0
105.07018	3.1
107.04929	4.2
108.04453	1.0
108.08110	1.4
109.02813	2.1
109.06503	4.5
109.10172	1.3
110.07137	13.9
110.97534	1.0
111.04409	4.6
111.08054	1.0
112.07607	3.3
114.05515	8.0
114.09155	3.3
115.03929	1.7
115.09487	1.4
116.07088	2.8
116.98597	8.6
118.06565	1.2
119.01884	6.7
119.04927	3.5
120.08086	1.8
121.01611	1.5
121.06485	6.2
122.06903	1.0
123.04401	5.4
123.08043	1.4
124.07573	2.1
127.03904	2.8
128.02208	1.7
128.98572	2.9
129.10193	1.4
130.06526	1.2
130.08627	20.0
130.12254	1.2
131.01881	6.0
132.10161	3.9
132.95815	1.8
133.01593	1.7
133.03494	1.6
133.05154	1.9
133.09657	2.2
133.10516	2.5
134.06006	2.7
134.99689	5.8
135.04367	2.2
135.08060	1.1
136.07561	21.7
137.02914	2.0
137.05968	2.6
138.05457	2.0
140.07063	1.9
142.03647	0.9
142.04956	5.2
143.01892	2.4
145.03435	1.7
145.04987	1.0
146.08322	1.2
146.99629	4.0
147.04419	3.5
147.06773	1.1
148.04875	1.0
148.07539	12.4
149.01137	1.3
149.02910	1.3
149.05948	6.9
150.05331	1.3
150.07700	4.5
150.96832	1.6
151.03903	1.0
152.07254	4.7
152.08099	6.0
153.00620	0.9
153.07787	2.9
154.08598	64.0
155.01874	2.1
157.01555	1.1
157.03407	2.1
158.99568	2.0
159.05020	1.0
160.07515	1.2
161.01181	2.4
161.02972	2.4
161.04298	0.9
162.96895	0.9
163.02725	2.5
164.07043	8.5
165.00551	1.6
165.05496	2.4
166.08606	46.3
169.03470	3.3
172.07507	0.9
173.01309	1.9
173.02933	3.3
174.96921	3.0
177.00679	4.1
177.04295	1.3
178.08620	2.0
180.07657	6.4
181.07130	1.0
182.08118	1.2
183.03317	1.0
183.04976	1.2
183.06479	1.7
184.04659	1.3
185.01212	2.2
189.00694	2.2
190.08597	2.9
193.00177	2.0
193.03441	1.4
194.55287	0.9
196.04860	1.3
197.02937	2.1
199.04488	1.1
201.00662	1.1
201.04254	1.9
203.03975	1.5
204.04695	1.7
204.06340	1.6
205.09698	7.8
211.02776	1.4
211.04518	2.9
213.00641	1.7
213.10117	1.0
215.02330	1.8
215.11745	3.6
219.01694	1.4
219.05109	1.0
221.03101	1.5
221.05066	2.2
223.04523	2.1
224.04475	1.1
227.02339	1.7
231.14253	1.6
233.12885	3.1
237.02893	1.6
250.14345	12.2
253.05708	2.2
259.10806	2.8
259.13498	1.1
277.11783	33.1
277.14584	1.9
286.07739	1.1
295.06595	1.5
295.09521	2.5
295.12894	32.6
295.16495	71.8
295.97781	1.4
296.16745	1.5
313.07870	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03923	6.0
55.01859	34.7
55.05497	53.5
57.03407	4.4
57.07056	16.1
59.49443	3.2
67.05494	100.0
69.03408	11.2
69.07051	42.4
71.04974	7.8
71.08620	30.9
73.23398	3.6
79.05480	59.6
81.03404	20.6
81.06606	5.5
81.07044	82.3
83.04967	24.8
83.08603	35.7
85.06544	3.9
85.10154	6.3
91.05460	49.2
93.07029	75.8
95.04961	26.7
95.08018	3.7
95.08595	61.1
97.06499	13.4
97.10144	19.2
99.08067	22.9
105.07008	38.9
107.04925	5.0
107.08569	43.1
109.06519	10.4
109.10136	25.8
111.08076	36.5
112.12586	3.2
113.09649	5.8
115.65115	3.3
117.07003	8.3
119.08545	29.8
121.10126	27.3
123.08061	7.6
123.11672	9.1
125.09583	18.4
129.06953	9.1
131.08528	13.5
133.06497	4.3
133.10127	34.2
135.07903	3.8
135.11725	19.8
139.11142	8.2
143.08545	7.8
145.10133	11.2
147.11691	18.1
149.09581	7.2
149.13229	19.6
151.11143	26.0
153.12743	5.3
157.10074	8.5
159.11697	13.7
161.13261	21.1
161.23265	3.9
163.11166	10.7
163.14771	7.5
165.12738	12.4
169.10092	3.8
171.11745	5.2
173.13263	4.8
175.11203	4.8
175.14786	7.5
177.12791	6.0
179.14284	12.4
185.13222	5.7
189.11206	8.2
193.15848	3.7
209.15407	3.8
217.19530	4.0
221.15234	7.9
241.19469	7.5
249.22104	7.0
259.20523	10.9
277.21597	87.6
295.22644	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2263
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.93824	2.5
53.03926	4.1
55.01857	4.6
55.05502	20.7
57.03429	2.4
57.07052	3.8
67.05184	3.5
67.05494	40.9
69.03385	3.0
69.07051	15.4
70.31904	12.5
71.04954	3.8
71.08618	43.2
74.17229	2.3
74.68499	2.4
79.05481	44.5
81.03394	8.0
81.07040	47.5
83.04971	10.8
83.08598	11.8
91.05470	25.3
93.07034	56.7
95.04955	9.4
95.08588	30.7
95.76739	2.5
97.06512	9.6
97.10145	6.4
99.08083	31.1
105.07018	14.7
107.04884	4.0
107.08581	32.2
109.06507	4.5
109.10158	13.3
111.08060	3.5
117.07003	3.7
119.08549	14.4
121.10131	33.4
121.56047	2.7
129.06984	2.9
131.08612	2.5
133.10121	12.3
135.11659	33.5
137.09534	3.3
145.10089	8.2
147.11636	7.5
149.13231	9.6
151.11128	13.8
159.11650	5.8
161.13248	13.9
163.11189	8.2
164.48842	2.6
171.11644	3.1
177.12733	2.8
179.14288	100.0
180.14670	2.6
189.12640	2.8
199.14888	2.6
231.17444	2.7
244.97566	2.5
277.21619	33.4
295.24054	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	295.2264
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03941	26.3
55.01850	8.4
55.05505	39.0
57.03424	3.0
57.07058	12.6
59.04977	3.3
63.12378	2.3
66.91290	2.6
67.05497	74.3
69.03400	3.1
69.07056	52.6
69.49157	19.1
69.49585	6.7
71.04985	7.6
71.08615	6.7
74.50120	2.9
79.05484	50.2
81.03405	93.4
81.07045	72.1
83.04974	25.9
83.08601	15.2
83.81109	2.9
85.06535	4.3
85.10159	4.8
91.05469	31.1
93.07031	51.8
95.04952	51.7
95.05511	4.4
95.08590	31.8
97.06518	5.7
97.10159	10.0
99.08080	5.1
105.07014	29.4
107.08577	26.5
109.06509	14.1
109.10122	23.8
111.08078	6.5
117.07027	8.1
119.08548	22.2
121.06525	3.1
121.10139	15.3
123.11691	12.0
125.09637	12.4
129.06984	4.6
131.08556	6.4
133.10109	22.0
135.08047	6.6
135.11693	9.5
137.09593	4.5
143.08481	6.4
145.10115	5.3
147.08131	2.9
147.11632	14.7
149.09555	4.6
149.13235	7.5
151.11159	59.1
153.09109	6.4
157.10143	6.6
159.11577	3.6
161.13185	15.5
163.14795	4.4
165.12762	11.1
171.11697	7.9
173.13188	4.1
175.11081	3.3
175.14897	3.2
177.12492	3.6
179.14334	8.2
185.13089	4.1
190.43642	3.1
193.12152	3.9
199.14688	3.0
207.13831	4.7
217.19475	5.6
231.21054	14.5
241.19458	6.8
249.22137	7.0
259.20520	13.1
277.21597	100.0
295.24377	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	295.2263
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03925	17.7
55.01872	7.0
55.05484	33.0
57.07064	16.9
63.79482	4.5
65.03998	4.7
66.27747	5.3
67.05499	67.4
69.07063	70.8
69.36574	64.2
71.08611	12.5
77.71892	4.7
79.05491	57.4
81.03401	87.8
81.07038	80.4
81.12703	5.2
83.04971	23.1
83.08593	23.7
91.05462	35.3
93.07019	57.8
95.04948	49.3
95.08591	40.7
97.06493	9.5
97.10146	10.2
98.20744	10.4
105.06994	28.4
107.08553	41.4
108.00665	5.5
109.06500	12.0
109.10118	31.3
111.08077	6.5
117.06982	6.9
119.08548	21.6
121.10106	17.7
123.08049	6.0
123.11625	8.7
125.09649	8.0
131.08536	10.3
133.10088	29.2
135.08003	11.2
135.11674	11.8
137.09598	5.3
137.95126	5.3
142.02660	4.9
143.08574	7.4
145.10121	5.8
147.07982	5.4
147.11627	14.3
149.13206	13.5
151.11206	33.5
153.09029	5.8
157.10204	9.9
159.11687	5.7
161.13245	19.7
163.14822	11.6
165.12750	9.8
169.10033	5.0
171.11694	9.5
173.13266	5.8
175.14839	9.1
176.93044	6.0
179.14288	6.4
185.13278	11.6
221.15506	8.5
241.19508	12.0
249.21974	9.4
259.20486	10.9
265.12219	7.4
277.21567	100.0
295.24213	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	296.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.4
55.05508	8.8
60.04520	8.8
67.05502	5.2
69.07038	1.6
70.73135	0.8
71.04967	2.6
71.12921	0.9
73.02899	2.1
78.85882	0.9
79.05473	6.9
81.03397	5.0
81.07060	6.6
83.04963	1.8
83.08591	5.4
85.02874	2.0
86.09679	3.7
91.05450	4.5
93.07030	7.4
95.04961	6.1
95.08592	8.0
97.10152	1.7
99.04443	1.7
100.11239	100.0
101.02348	5.9
101.11589	1.7
105.07011	2.7
107.04940	66.3
107.08568	2.0
109.06513	1.8
111.04387	2.9
114.12799	5.1
117.06981	2.8
121.06514	8.5
121.10136	4.2
121.57253	0.8
128.10719	1.3
131.08514	2.7
133.06398	0.9
133.10117	1.2
135.08029	1.8
137.05885	1.4
140.10651	3.3
141.06807	0.9
142.12262	14.6
145.10107	1.5
149.06020	1.2
153.05492	5.3
154.12254	4.5
159.11653	3.4
163.07539	1.6
163.14790	1.0
167.07039	1.7
173.13231	2.2
176.14270	1.2
177.12727	52.1
178.13080	1.6
191.14264	9.8
201.12733	2.7
219.13739	6.6
235.07426	1.1
236.16460	2.9
237.14815	36.2
237.17137	1.9
254.17465	2.1
278.17618	1.1
296.18536	48.5
297.19138	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1691
Annotation	(-)-Ovalicin
Peak:m/z	Relative Intensity
51.17385	6.3
53.03922	7.3
53.59784	4.9
54.29851	4.6
55.01852	11.9
55.05501	66.8
57.03426	46.2
57.07071	6.1
67.05497	76.6
69.03419	12.0
69.07048	23.4
69.38741	16.0
69.39147	47.1
71.04971	8.2
71.68347	5.2
79.05472	66.5
81.03391	21.9
81.07040	64.6
83.04947	20.3
83.08609	21.6
85.02908	6.5
91.05459	40.3
93.07027	43.0
95.04974	34.3
95.08588	29.1
97.06531	9.7
97.10159	45.7
105.07024	23.3
107.04941	16.1
107.08599	28.1
109.06500	8.8
109.10120	26.2
111.08087	7.3
117.06998	19.0
119.08562	13.3
121.06484	5.7
121.10091	11.8
122.84128	5.6
125.09623	46.0
131.08556	16.2
133.10114	9.8
135.08032	8.0
143.08543	5.2
145.10063	8.9
149.13185	7.9
152.90849	5.8
155.74144	5.5
159.11676	16.8
169.10092	5.4
177.12697	9.5
189.11153	33.8
205.12260	9.6
223.13248	100.0
297.16870	56.9
297.25925	5.8
302.35776	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	297.242
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
51.52812	1.5
53.03930	1.4
55.05507	17.4
56.25413	1.5
56.96571	2.6
57.01786	1.9
57.03431	8.2
57.07065	18.8
60.15225	1.6
60.69877	1.7
67.05498	29.3
69.03424	1.8
69.07054	16.9
69.72042	12.4
71.01346	9.5
71.04971	2.9
71.08618	16.9
79.05483	8.2
81.07043	35.1
83.04959	3.7
83.08617	9.3
85.06554	2.4
91.05475	4.3
93.07021	10.2
95.08601	30.6
97.06548	2.3
97.10190	8.9
98.20696	3.0
99.08091	5.3
105.07006	5.1
107.08597	6.7
109.10149	18.0
111.08019	2.5
111.11688	2.4
113.06008	2.4
117.06986	2.2
119.08476	2.2
121.10136	7.6
123.11710	4.5
125.09579	3.7
127.07564	2.5
127.23691	1.5
133.10141	3.1
135.11681	5.6
137.13185	2.8
139.11102	2.1
141.12727	8.6
145.10109	1.6
147.11670	2.3
151.14868	1.9
159.11601	2.1
169.15860	14.7
173.13295	3.1
183.13785	100.0
184.14227	2.9
187.14722	1.8
251.23643	22.1
261.22189	3.5
279.23257	12.2
294.67978	1.6
297.18567	2.2
297.21979	3.3
306.84036	1.7
315.89316	1.7
317.96548	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0965
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
50.77605	0.1
53.35311	0.1
57.03406	0.1
61.00850	0.3
61.01145	4.7
62.28044	0.1
69.03410	0.3
71.43414	0.2
75.02692	2.1
78.18414	0.1
83.13742	0.2
94.04031	0.5
97.02888	1.3
103.02155	0.3
119.03561	0.7
136.06168	100.0
137.04556	0.5
137.06633	1.2
145.03174	1.5
163.04253	1.3
176.81281	0.1
190.84004	0.1
298.09686	3.0
299.09894	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55241	1.1
51.07465	1.0
53.03922	1.3
55.01841	1.5
55.05507	2.0
55.48163	1.3
56.96558	95.6
57.03420	3.2
59.05008	1.0
61.02914	3.3
67.05502	3.4
69.03413	7.8
70.06583	2.7
71.04974	1.5
71.70496	1.9
71.95243	3.6
72.08135	1.8
73.02900	4.0
74.97600	1.4
79.05476	5.7
81.03400	13.5
81.07051	5.1
83.04977	3.7
84.04488	1.4
84.08122	4.1
84.96021	47.6
85.02895	13.9
86.00645	1.6
86.09715	1.6
87.04450	1.4
91.03969	1.3
91.05479	5.0
93.07044	2.9
95.04961	4.8
95.08607	1.6
97.02884	8.0
97.06500	2.2
98.06047	2.9
98.97567	55.8
99.04434	2.2
99.97918	1.3
100.07619	1.3
101.00880	3.1
102.97049	10.0
103.02433	1.8
105.00388	1.3
105.07005	1.6
107.04990	3.4
109.02850	3.5
109.06477	2.7
110.97556	50.5
111.04443	5.4
115.02413	1.7
116.98604	58.0
118.03482	1.7
119.01895	19.1
119.04910	2.8
120.08112	2.4
120.98082	2.2
121.01701	1.3
121.06490	3.2
123.04393	4.7
124.99147	1.8
127.03925	4.4
128.98590	100.0
130.93332	1.6
131.00166	1.7
131.01955	6.5
132.01062	1.3
133.03450	3.4
134.05988	1.3
134.99635	43.6
135.04382	2.9
136.06183	4.6
136.99112	3.0
137.02943	5.3
137.05907	2.4
138.05481	14.1
138.09151	2.9
139.00653	3.4
140.00136	2.3
140.07072	1.2
140.98569	3.5
143.00143	11.0
143.01840	2.8
144.98085	1.4
145.01704	2.1
145.03410	5.5
146.99632	86.0
147.04216	1.6
149.01147	1.5
149.02972	1.4
149.05965	2.8
150.05472	2.7
151.00656	1.8
151.09859	1.1
152.00188	4.0
152.05942	1.0
152.07021	6.9
152.98590	1.2
153.00679	9.6
155.00153	18.1
155.01830	2.6
155.07022	2.3
157.01720	4.8
157.03444	4.7
158.01253	2.6
158.99619	9.2
159.01451	1.1
159.03267	2.7
159.04890	1.4
159.06131	1.2
161.01219	14.8
161.02925	6.9
161.06625	1.8
162.99155	1.6
163.00693	1.4
163.02731	1.7
163.04456	3.9
164.07103	3.8
165.00697	9.6
165.02086	1.7
165.05421	2.2
165.99391	1.7
166.07191	6.5
167.00169	10.0
167.01974	1.5
167.07863	2.2
168.06485	2.3
169.01704	4.2
169.03416	3.3
170.01276	5.3
170.99658	6.4
171.01242	2.5
171.05054	2.8
173.01230	26.0
173.02936	4.4
173.06580	1.7
174.97592	2.0
175.02727	1.8
175.04500	3.0
175.08263	2.6
176.02290	1.2
177.00745	9.8
177.02324	2.4
177.04150	1.6
179.00142	3.7
179.02281	1.8
181.01714	8.8
181.03358	2.3
182.99684	12.2
183.03391	2.4
183.05016	3.0
184.00447	2.7
184.04774	1.6
185.01212	27.8
185.02939	6.4
185.06538	2.4
187.02779	7.2
187.04344	1.9
187.08134	2.4
188.07713	1.4
189.00693	11.4
189.02412	2.7
189.04254	1.2
189.06061	3.3
189.07890	1.5
190.95335	1.6
190.98596	1.8
191.00255	2.8
191.02254	6.0
191.03909	2.5
192.98683	2.4
193.01779	2.6
193.03400	1.7
194.99603	11.0
195.01268	1.7
195.04987	1.5
196.99452	2.2
197.01218	13.6
197.02950	2.9
199.02763	16.2
199.04492	4.1
201.00693	25.8
201.02475	2.2
201.04231	1.3
203.02267	10.4
203.04016	3.3
203.07382	1.3
204.05437	1.6
205.07242	1.4
207.01773	4.5
208.02831	1.4
209.01207	23.7
209.03036	3.0
211.02747	4.7
211.04533	3.1
213.00691	22.5
213.02444	2.2
213.04135	1.4
213.06094	3.3
215.02245	8.9
215.04059	1.9
217.01917	2.0
217.03786	4.5
219.01756	8.0
221.01248	5.3
221.03094	1.5
221.05032	3.1
223.04654	1.5
224.02246	2.1
227.02214	30.9
229.03723	1.7
229.05688	1.9
231.01788	4.0
232.96431	2.4
236.02061	1.3
237.02882	3.1
239.02248	15.3
239.04153	3.5
241.05693	2.1
243.01761	1.3
245.03181	14.2
250.03885	1.5
251.04317	2.5
255.06877	1.2
256.96432	2.9
257.03195	20.6
267.13889	1.3
269.03052	1.5
274.97043	8.1
275.04242	11.2
281.05768	2.6
281.11356	1.4
281.14853	1.3
292.98505	2.2
293.05417	1.9
299.04016	22.3
299.09723	14.6
299.12781	6.0
299.16266	2.1
300.10361	2.0
303.04797	1.1
305.11069	1.3
316.99237	1.7
317.05304	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	299.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31154	2.9
53.03927	10.7
55.01869	15.5
55.05505	76.6
57.03200	3.4
57.03431	50.4
57.07064	10.8
59.04963	4.8
65.03931	4.6
67.05495	100.0
69.03413	6.5
69.07055	19.8
71.01343	48.9
71.04984	4.6
73.02898	4.4
79.05485	63.7
81.03419	5.5
81.06604	5.7
81.07047	82.0
83.01331	3.8
83.04964	20.3
83.08604	33.9
85.02911	4.2
87.04460	2.7
89.11136	3.0
91.05462	58.5
93.04642	2.7
93.06449	3.0
93.07032	55.3
95.04977	18.3
95.08591	47.0
97.06516	10.2
97.10163	27.0
99.00763	3.6
103.05399	3.3
103.38541	2.6
105.07008	46.9
107.04929	6.4
107.08576	48.9
108.41853	2.7
109.02818	2.9
109.05152	2.9
109.06493	10.9
109.10140	54.1
111.08076	5.4
117.06993	13.8
119.08571	48.4
121.06487	6.7
121.10131	11.5
123.04462	3.2
123.08002	5.4
123.11723	9.2
125.09599	13.7
127.11197	4.1
128.06177	4.1
129.07079	3.4
131.08546	10.0
131.29836	4.1
133.06488	3.2
133.10114	18.1
135.08040	17.1
135.11682	12.1
137.09605	4.7
137.13237	5.4
143.08578	8.4
145.10164	4.8
147.11676	13.2
149.13255	5.4
151.07549	3.6
151.11116	5.0
153.09082	10.2
155.08533	3.0
157.10092	3.8
159.11656	7.0
161.09602	5.4
161.13260	11.8
171.10095	5.5
173.13263	6.1
183.11702	5.1
195.06459	9.0
197.11684	5.5
201.16487	5.2
203.18008	7.2
217.19469	4.1
225.11185	51.7
229.86830	4.8
243.12187	6.2
253.19412	6.6
299.09497	4.8
299.14896	78.2
299.20096	16.6
299.27402	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	16.2
53.03925	5.6
55.01870	11.6
55.05503	61.2
57.03429	39.5
59.04998	14.3
67.05489	32.1
69.03416	7.4
69.07045	5.9
69.76617	6.5
69.77047	9.8
71.01337	8.7
71.04983	2.8
75.33927	2.5
79.05479	24.8
81.03413	11.3
81.07045	51.3
82.07359	2.8
83.04970	8.3
83.08607	32.3
85.06525	2.8
91.05464	62.1
93.07035	38.2
93.07590	3.7
94.74408	2.3
95.04951	14.0
95.08602	11.8
97.02874	10.5
97.06526	8.7
97.10159	7.4
99.00803	67.1
99.01411	4.4
99.41938	2.4
103.05472	5.4
105.07016	43.5
106.07363	2.6
107.04930	13.6
107.08572	22.0
109.02859	24.4
109.06510	8.7
109.10140	18.5
111.04422	4.2
111.08080	7.2
113.05996	3.0
115.03934	10.3
117.07009	9.5
119.08567	24.4
121.06484	21.7
123.04462	3.5
123.08010	3.0
123.11700	7.4
127.03896	10.8
127.43679	2.2
128.06287	2.9
131.08540	3.4
133.06508	3.9
133.10115	100.0
135.07994	3.3
135.11693	4.3
137.05981	7.0
137.09631	4.0
139.07503	9.0
141.47760	2.3
143.08525	12.6
145.06442	3.8
145.10170	3.4
147.08061	4.5
151.11143	29.7
161.09605	51.5
163.11113	2.3
165.09056	5.5
171.08034	10.3
179.10649	35.6
179.12094	3.3
180.98672	2.4
189.09082	37.4
197.11667	15.3
207.10135	14.8
225.11191	42.9
243.12285	6.7
253.19576	3.3
299.14914	77.4
299.19986	3.5
299.25766	2.8
300.15274	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	299.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.2
55.01855	10.2
55.05503	31.4
57.03424	12.2
57.07055	4.3
57.77253	2.3
61.02905	7.6
67.05496	24.6
68.99768	3.0
69.03417	31.3
69.07057	100.0
69.61552	21.9
71.01375	3.8
71.04971	8.0
73.02895	9.2
76.03984	5.0
77.98789	2.6
79.05480	18.8
81.03397	18.4
81.07041	66.5
83.04973	18.1
83.08601	10.5
85.02911	23.3
85.06525	10.1
91.05460	22.2
93.07027	41.8
95.04964	16.5
95.08588	30.8
97.02878	14.9
97.06526	15.6
99.00780	3.0
99.04435	10.4
99.08057	7.6
101.02380	4.7
103.03918	8.1
103.05476	3.1
105.07014	36.2
106.07322	2.5
107.04947	6.5
107.08582	28.2
109.02862	6.3
109.06512	12.3
109.10136	10.2
111.04414	6.1
111.08090	6.2
111.11707	97.2
115.03902	3.8
115.05444	2.8
117.07019	6.6
119.08553	22.1
121.06490	11.2
121.10135	20.2
123.04391	7.8
123.08064	8.8
123.11675	21.2
127.03877	6.7
129.06996	3.7
131.08553	8.2
133.10109	17.8
134.07167	2.9
135.08003	4.3
135.11691	15.7
137.05917	9.6
137.09547	6.0
137.13234	8.1
139.07526	3.3
139.11177	5.4
139.28539	2.5
141.05429	3.9
142.07742	3.1
143.08524	7.9
145.04927	8.7
145.10066	9.8
147.08006	6.2
147.11661	34.3
149.05948	4.5
149.09586	6.0
149.13249	27.8
151.07491	4.9
151.11140	3.6
153.12749	8.9
155.08485	4.6
157.10030	4.7
159.06429	4.2
159.07800	2.6
159.11620	19.2
161.09613	6.4
161.13249	16.2
163.11143	8.4
163.14877	6.5
163.73093	2.6
165.06999	12.5
165.09099	3.0
165.12744	16.7
167.14233	4.8
168.09186	2.5
171.11676	4.9
173.09572	3.4
173.13200	7.0
175.10989	3.0
175.14775	4.5
177.12749	9.6
179.10664	4.0
179.14273	10.3
183.08022	2.9
185.13210	7.0
187.09669	3.9
189.09125	4.2
189.12727	4.4
191.14259	11.2
192.05643	2.8
193.06474	8.1
197.11765	2.9
199.14842	4.1
203.14325	10.4
205.12360	3.9
207.08159	4.7
207.13795	4.7
209.13321	4.4
209.15219	6.5
211.07521	5.5
215.14285	5.5
217.15895	4.3
219.13809	4.0
220.05168	4.3
221.05977	26.1
221.15422	6.6
223.62849	2.7
224.60500	2.7
225.08989	4.1
227.14297	5.5
233.15353	10.7
235.07533	7.5
239.07025	21.9
239.16364	3.7
242.05844	3.3
245.15384	9.6
249.05344	11.4
250.06175	10.9
253.08505	7.9
257.07907	4.5
263.06989	11.8
263.16400	36.2
264.07675	3.0
267.06378	23.9
268.06906	4.7
271.05771	5.0
281.08008	10.5
281.17444	27.5
284.06775	3.0
285.07568	17.8
299.05685	6.2
299.09073	47.4
299.12439	5.1
299.18393	45.9
300.09805	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	299.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	9.5
55.01850	4.4
55.05503	30.5
57.03432	9.7
67.05496	68.4
69.07039	20.6
70.85940	12.8
71.04988	6.7
75.28091	3.4
79.05482	98.5
81.03412	10.8
81.07047	59.2
83.04965	18.0
83.08608	11.8
85.06547	4.2
87.24760	3.9
88.77441	3.7
91.05464	73.9
93.07032	100.0
93.07587	8.0
95.04964	34.5
95.08595	41.3
97.06515	17.7
97.10194	4.2
100.39677	4.2
101.48521	4.2
105.04535	6.2
105.07022	57.9
107.04938	10.6
107.08596	29.1
109.06535	10.7
109.10154	14.3
115.05447	5.9
117.07037	9.0
119.08581	41.2
121.06429	5.8
121.10102	8.1
123.08070	11.6
127.07523	5.4
129.06993	27.1
131.08604	7.6
133.10135	22.1
135.08038	4.0
137.05981	3.9
142.07643	4.4
143.08496	18.9
145.10106	16.9
147.07959	7.4
147.11662	74.2
155.08601	5.0
161.09604	9.9
161.13260	17.4
171.11636	38.6
189.12759	17.7
195.06548	6.9
207.13773	22.8
237.16280	4.8
281.17465	70.2
299.05600	8.7
299.09024	6.3
299.12720	7.7
299.16553	7.5
299.20181	12.4
306.45981	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	299.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97782	1.2
53.03914	1.5
55.05502	13.4
57.03444	1.2
57.07067	7.8
65.03947	1.1
67.05493	24.1
69.06693	1.5
69.07057	19.3
71.08617	2.2
74.19523	0.9
74.66844	1.1
79.05483	8.4
81.07043	38.6
83.08611	7.3
85.10146	2.0
85.40714	1.2
91.05471	9.5
93.07027	20.1
95.04939	1.4
95.08591	56.2
96.64368	1.1
97.10152	8.1
105.07017	18.8
107.08578	24.0
109.06490	1.2
109.10139	36.1
109.10879	2.3
110.10468	1.6
111.11684	2.2
119.08560	20.4
121.10120	23.0
123.11702	18.2
131.08540	4.7
133.10107	18.9
135.11652	14.1
135.12500	1.4
137.13232	7.5
142.53926	1.2
145.10110	7.2
147.11665	20.9
149.13223	13.6
151.14766	1.8
159.11646	7.4
161.13226	25.1
161.14510	1.7
163.14803	9.2
171.11655	1.4
173.13266	4.5
175.14818	10.1
177.16397	8.7
187.14786	4.0
189.16344	18.2
191.17908	9.5
195.06543	2.9
201.16310	10.4
203.17915	22.0
203.19666	2.0
205.19492	2.1
215.17944	11.0
217.19525	9.7
229.19495	7.5
229.33035	1.3
243.21060	7.0
243.72156	1.2
257.22577	3.4
298.54669	1.0
298.89090	1.1
299.20264	2.5
299.27316	100.0
300.27664	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	300.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69516	0.3
53.75734	0.3
56.96553	0.7
57.03423	0.4
57.67270	0.3
60.04505	0.4
61.02901	0.4
62.01333	0.3
62.35467	0.3
69.03418	0.6
70.06577	0.9
70.89025	1.0
71.01335	1.2
73.02899	0.4
81.03403	0.9
83.42000	0.3
84.08136	0.4
85.02882	1.0
86.06004	0.3
87.04453	0.3
87.41663	0.3
91.05448	0.6
94.03995	0.5
95.04990	0.3
97.02872	0.4
98.06057	0.4
98.97585	0.8
106.04034	0.4
109.05123	0.8
116.98591	0.7
119.03542	0.7
120.08087	0.9
121.05030	0.3
121.06482	0.5
123.06661	1.0
124.05013	0.4
125.04588	0.8
125.06941	0.4
127.06156	0.3
128.04503	0.4
133.05087	1.2
134.99675	0.4
135.05392	0.4
136.06168	100.0
137.04564	1.6
137.06450	1.1
138.07726	0.6
138.09102	1.3
148.06143	0.6
149.05968	0.4
149.07001	0.4
150.07718	1.4
151.06157	4.1
152.05632	1.4
154.07176	0.4
162.07658	0.4
164.05664	5.8
164.06918	0.5
166.07271	0.4
168.05072	0.7
168.07391	0.5
168.08794	6.6
170.06694	0.5
176.05319	0.3
177.00636	0.3
178.07222	18.9
180.05191	0.6
181.05913	0.4
189.28914	0.3
190.07246	1.8
194.06700	0.4
210.06226	0.3
220.08232	0.3
252.07260	3.8
254.08653	0.7
255.06046	0.5
282.08237	1.9
300.06055	0.5
300.09396	5.3
300.13138	3.2
303.07736	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	0.3
55.01838	0.6
55.05473	0.7
57.03405	0.3
64.34334	0.2
64.73621	0.2
65.03900	0.3
67.01820	0.3
67.05498	1.3
68.99765	0.3
69.03391	0.8
69.07056	1.3
71.04961	0.4
71.70695	0.3
71.71059	0.2
76.03918	0.2
79.05486	1.4
81.03398	1.1
81.07043	2.0
81.45625	0.2
83.04947	0.5
83.08571	0.5
85.02856	0.6
85.06498	0.5
91.05469	1.6
93.07048	2.0
95.04910	0.9
95.08607	1.6
97.00122	0.2
97.02850	0.7
97.06483	0.5
105.06976	1.1
107.04908	0.7
107.08577	1.4
109.02830	0.6
109.06502	0.4
109.10123	0.7
111.04406	0.3
111.08050	0.6
115.03883	0.2
115.05392	0.3
116.85009	0.2
117.06936	0.4
119.04910	0.3
119.08538	0.8
121.06445	0.7
121.10085	1.0
123.08019	0.3
125.05945	0.3
127.03857	0.3
128.06165	0.2
129.06989	0.3
131.08469	0.5
133.10054	0.8
135.11649	0.6
136.07549	0.3
137.05917	0.8
137.09508	0.3
139.07452	0.5
139.11113	0.6
141.06947	0.3
142.07819	0.4
143.08484	0.6
145.10100	0.8
147.04390	0.4
147.11639	0.5
149.05931	0.9
149.09599	0.5
151.03821	0.8
151.11166	0.4
152.06209	0.4
153.01765	3.0
153.07036	1.2
155.08472	0.5
157.10027	0.5
159.11636	0.5
161.05823	0.3
163.11116	0.6
165.05589	0.3
165.06987	0.7
166.04874	0.3
167.08496	0.3
169.06442	0.4
171.02893	1.2
171.11659	0.4
173.09581	0.3
175.03864	1.0
175.11238	0.4
181.06433	1.2
182.07204	0.3
183.07899	0.5
187.07451	0.5
189.09183	0.3
191.10609	0.3
195.07996	0.5
197.05846	0.3
198.06689	0.7
199.07440	0.3
199.12471	0.3
201.05426	0.4
209.05959	0.4
212.09253	0.3
213.05524	0.3
213.08934	0.5
215.14278	0.3
217.04936	0.3
223.07547	0.4
226.06169	0.6
227.07024	0.3
227.11749	0.9
229.04956	2.2
240.08908	0.4
241.08672	0.5
245.04442	0.4
251.06708	0.3
255.06700	0.6
255.11298	4.3
257.04456	0.8
258.05197	40.4
259.05524	1.8
265.08817	0.3
269.04379	0.4
269.08032	0.6
273.03925	0.3
283.10037	1.2
286.04666	53.7
287.05008	2.3
301.07028	100.0
301.10529	5.6
301.21637	1.6
302.04199	0.5
302.07291	4.2
302.10349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0694
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.05471	0.1
65.03912	0.2
67.01840	0.1
67.05487	0.1
68.99793	0.1
69.07018	0.2
71.43733	0.2
72.90088	0.1
79.05455	0.1
81.03394	0.2
81.07024	0.2
91.05405	0.1
93.07001	0.3
95.04954	0.1
95.08573	0.2
105.07042	0.1
107.04909	0.1
107.08556	0.2
119.08529	0.1
121.06516	0.1
121.10133	0.2
124.01505	0.1
135.11662	0.2
137.05992	0.1
148.03922	0.6
149.05901	0.4
151.03870	0.1
151.30934	0.1
153.01793	1.9
153.06992	0.1
165.06958	0.1
166.04901	0.3
166.29985	0.1
173.44681	0.1
181.06474	0.1
184.05106	0.1
195.07990	0.1
198.06728	0.1
201.05452	0.1
212.04581	0.2
213.05380	0.2
213.08908	0.1
223.07451	0.1
229.04910	3.0
230.05547	0.3
237.09097	0.1
240.08199	0.1
241.08647	0.1
245.08073	0.1
245.13637	0.1
255.10556	0.3
257.04468	1.4
258.05194	52.3
259.05563	1.7
259.55072	0.1
265.08600	0.2
269.04517	0.2
269.07962	0.1
271.05841	0.1
283.09952	0.3
286.04669	61.3
287.05045	2.1
301.07016	100.0
302.07349	3.8
302.10822	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	301.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.1
54.69493	0.1
55.01859	0.1
66.98888	0.1
67.01846	0.1
67.05468	0.2
68.99780	0.1
69.03407	0.1
69.07050	0.1
69.27946	0.1
69.56075	1.0
73.14554	0.1
79.05458	0.2
81.03385	0.1
81.07016	0.3
82.65545	0.1
86.09676	0.4
86.57439	0.1
91.05423	0.4
93.07005	0.2
95.04934	0.2
95.08561	0.3
97.02847	0.1
97.06501	0.2
98.21420	0.2
105.03391	0.1
105.06978	0.3
107.04917	0.3
107.08538	0.2
109.10122	0.1
111.04360	0.1
119.04945	0.2
119.08522	0.2
121.06435	0.1
127.47323	0.1
131.08495	0.1
133.02725	0.1
137.05901	0.2
142.93047	0.1
145.10063	0.1
147.04410	0.2
149.05920	0.5
151.03877	0.2
152.06186	0.2
153.01785	1.9
153.06972	0.3
155.08549	0.2
157.06331	0.1
159.11620	0.1
163.11162	0.1
165.06955	0.2
167.08577	0.1
169.06526	0.2
175.03850	0.1
181.06407	0.5
183.07997	0.1
184.05144	0.1
191.10718	0.1
195.07962	0.1
197.13162	0.1
198.06677	0.3
199.12308	0.1
201.05515	0.2
203.03195	0.1
209.06021	0.1
210.08943	0.1
211.08791	0.1
212.09445	0.2
213.09187	0.1
227.11697	0.6
229.04921	3.0
230.05530	0.2
240.09013	0.3
241.09456	0.2
245.04376	0.1
255.11241	1.8
256.09518	0.2
257.04419	1.4
258.05188	48.4
259.05545	1.9
269.07980	0.1
273.07584	0.2
283.10886	0.7
286.04660	58.9
287.05014	2.2
301.07004	100.0
302.04541	0.2
302.07327	4.4
302.10794	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0702
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.11451	0.1
57.13955	0.1
67.05483	0.3
69.54676	0.6
69.55106	0.8
91.05412	0.1
98.09463	0.2
105.07015	0.1
111.53904	0.2
122.33382	0.1
147.11668	0.3
149.05934	0.4
153.01788	1.4
229.04895	2.5
230.05553	0.2
257.04361	1.0
258.05194	44.4
259.05560	1.7
269.04312	0.2
286.04666	52.7
287.05020	2.2
301.07007	100.0
302.07361	4.3
307.88791	0.1
309.65311	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	301.1177
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
55.01825	0.3
55.05443	0.3
65.03855	1.6
67.05416	1.0
69.03361	0.3
70.02789	0.9
70.03200	0.4
70.27116	0.2
70.64640	0.2
79.05379	0.7
81.03350	0.2
81.06953	0.7
82.02846	0.3
82.06483	0.2
85.97872	0.2
91.05381	0.8
92.04982	2.9
93.03342	0.2
93.06950	0.6
94.06469	0.6
95.04889	0.5
95.08518	0.5
97.47279	0.3
102.05370	0.2
105.06946	0.3
106.06474	0.4
107.04905	0.3
108.08025	0.5
110.05934	0.3
117.05680	0.5
118.06479	0.5
119.08469	0.3
120.04441	2.0
121.10043	0.3
122.05975	1.3
123.07879	0.2
129.06891	0.5
130.06468	0.5
132.07991	0.3
133.07533	0.2
133.10054	0.3
134.05948	0.4
135.08221	0.2
135.11606	0.3
136.07556	2.6
141.06868	0.5
142.06456	0.3
142.07610	0.3
143.07246	0.4
143.08490	0.4
144.07990	0.5
145.06390	0.3
145.10042	0.3
146.05933	0.4
147.11551	0.6
148.03801	0.5
152.06131	0.5
153.06917	0.6
154.06384	0.6
154.07710	0.6
155.07220	0.4
155.08481	0.4
156.07957	0.6
157.08856	0.4
157.10065	0.3
158.09581	0.5
159.09154	0.5
160.07474	0.6
161.07001	0.7
162.05476	1.8
165.06906	0.9
167.07185	2.0
167.08501	0.6
168.08089	1.2
169.07591	0.5
169.08769	1.1
169.09991	0.3
170.08304	0.9
170.09599	0.5
171.09042	0.3
171.10339	0.3
172.07446	0.7
172.11121	0.4
173.06982	0.9
173.08299	0.5
174.09142	0.4
180.07999	0.5
182.05899	0.5
182.09615	3.2
183.09132	2.6
184.07530	0.9
184.09839	3.1
184.11218	1.3
185.06956	0.5
185.10632	0.6
186.09131	0.3
187.08643	2.4
192.07927	0.4
194.09705	0.3
195.06612	0.5
196.07478	0.7
197.06845	2.2
197.08359	0.8
197.10616	0.5
198.07635	2.2
198.09169	1.0
199.08565	1.1
199.12274	6.9
200.10616	0.9
201.10153	0.3
209.10663	1.2
210.09100	6.1
211.08582	5.5
212.09200	9.4
213.06671	0.4
213.10132	1.7
214.10675	0.2
222.07729	0.4
225.06619	1.7
225.10239	1.2
226.07211	1.0
226.10915	0.7
227.07997	0.9
227.11739	28.0
228.10101	0.5
228.12177	0.6
235.39554	0.2
236.38075	0.2
237.10158	2.2
238.08624	1.8
239.08098	2.8
240.08862	10.3
241.09674	7.0
243.54179	0.2
253.09642	0.6
254.10417	1.1
255.11234	100.0
256.11569	2.8
257.12805	3.2
258.05182	0.5
266.08087	0.3
273.12299	0.8
283.10721	11.9
284.11319	0.3
286.04742	0.4
294.79245	0.2
301.07047	0.9
301.11783	17.7
301.21448	0.6
301.24936	0.2
302.12231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.118
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
53.03926	0.6
55.01856	0.8
55.05495	1.2
56.02246	0.3
58.29845	0.4
59.85378	0.3
65.03925	2.1
65.79398	0.3
67.05507	2.6
69.03414	1.0
69.07043	1.0
69.32212	0.3
70.81543	0.9
70.81881	0.4
71.04973	1.0
77.16873	0.3
79.05463	1.4
81.03394	0.6
81.07049	2.0
83.04956	0.8
83.08610	0.6
85.02876	0.6
91.05467	2.8
92.04974	2.5
93.07029	2.3
94.06543	0.9
95.04958	1.7
95.08586	2.0
97.02870	0.5
97.06518	1.0
103.05382	0.5
105.07017	1.9
106.06546	0.6
107.04914	0.4
107.08575	1.2
108.08083	1.1
109.06493	0.4
109.10143	1.0
110.06017	0.4
111.08059	0.4
115.05424	0.5
117.07013	0.7
119.04891	0.8
119.08543	1.7
120.04465	2.6
121.06487	0.5
121.10103	1.3
122.06006	0.9
123.08021	0.4
123.11678	0.7
128.06212	0.4
129.07005	0.9
130.06392	0.4
131.04887	0.4
131.08521	1.2
132.45734	0.3
133.10110	0.8
134.06007	1.1
135.11641	0.9
136.07568	7.2
137.05951	1.2
141.06960	1.0
142.07741	0.7
143.08566	0.9
144.08063	1.1
145.06464	0.5
145.09023	0.5
145.10031	1.9
147.04341	0.6
147.11678	0.5
148.03928	0.9
149.05923	1.3
150.09154	1.7
151.03839	0.4
151.07610	0.4
152.06165	1.3
153.05539	0.5
153.06966	2.0
154.06483	0.4
154.07756	0.7
155.08519	0.8
156.08055	0.6
157.08846	0.8
157.10002	0.7
158.06053	0.4
158.09639	0.7
159.11632	0.7
160.07602	0.6
162.05528	1.9
163.11098	0.9
164.07040	1.6
165.06960	2.3
166.07712	0.4
167.07256	2.5
167.08618	0.9
168.05736	0.5
168.08020	0.8
169.06439	0.6
169.08859	1.4
170.07185	0.5
170.08412	0.8
170.09648	0.6
170.88527	0.4
171.11681	0.6
172.07489	0.8
172.11215	0.7
173.07054	0.5
173.13309	0.4
175.11182	0.5
177.05421	0.8
181.06419	2.5
182.09630	2.9
183.07829	0.4
183.09201	2.8
184.07573	0.9
184.09848	3.3
184.11253	1.1
186.09180	0.6
187.08723	2.3
194.09758	0.5
195.08109	0.7
195.10432	0.4
196.07347	0.6
197.07060	1.6
197.10785	0.5
198.06375	0.5
198.07857	1.4
198.09396	0.8
199.08745	0.8
199.12296	6.5
200.10692	1.0
200.12482	0.5
208.05150	0.4
209.10764	0.8
210.09103	6.3
210.12732	0.5
211.08676	5.1
212.09256	8.5
213.06769	0.4
213.10211	1.4
214.08627	0.6
219.99461	0.5
223.07414	0.5
225.06601	1.6
225.10223	1.5
226.06261	1.7
226.10880	0.8
227.11766	29.0
228.10124	1.6
228.12166	0.6
237.10252	2.1
238.08609	1.5
239.08080	1.3
240.08911	10.7
241.09534	3.3
251.06958	0.6
253.09578	0.8
254.10521	1.0
255.11255	100.0
256.09280	2.1
256.11670	1.6
257.12833	3.3
258.05191	3.9
269.08072	1.3
273.12256	1.1
273.15903	1.5
283.10712	9.2
283.14362	1.8
283.20569	0.6
286.04831	4.5
286.08054	0.7
301.07040	7.8
301.11441	19.9
301.21552	2.3
302.10214	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.1
61.02902	1.7
66.86633	0.9
67.05485	1.4
67.59774	1.4
69.03419	1.2
69.83502	7.1
70.06563	2.4
71.04967	1.3
72.08140	1.5
79.05463	2.1
81.07034	4.7
84.08125	2.1
85.02880	3.1
86.09742	1.6
91.05450	2.5
93.07031	3.0
95.04954	2.4
95.08576	3.9
96.06841	5.9
98.21445	1.2
105.06972	1.1
107.04945	1.4
107.08582	1.9
119.01897	1.4
119.08533	2.2
121.06476	3.2
121.10119	1.6
125.07064	7.8
131.01826	1.3
133.10132	1.8
139.03865	1.2
139.08563	1.4
140.03433	3.7
143.08592	1.2
145.10118	1.6
147.04263	1.1
149.05930	1.8
155.01866	1.7
159.11674	1.2
171.07607	17.7
173.02927	1.4
203.03940	2.0
216.07779	1.1
221.05011	13.0
231.13582	1.5
250.17065	1.2
269.14890	13.4
301.12518	100.0
301.17642	11.0
301.21597	4.9
302.12863	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.7
70.93754	1.0
70.94103	0.7
98.97578	1.9
101.00852	0.6
111.81867	0.5
116.98610	2.2
119.01896	6.2
122.00227	0.4
132.05087	0.4
134.99670	2.2
137.02954	2.6
138.07028	0.5
147.05173	0.4
149.44839	0.6
153.00812	0.6
158.49829	0.5
160.99554	0.5
175.61530	0.5
177.00926	15.9
178.01038	3.2
179.00645	4.4
180.00851	0.5
200.02461	0.7
201.00815	0.6
203.00662	0.6
216.99356	0.5
217.04071	1.9
218.03606	1.2
219.01979	22.7
220.02014	7.2
220.03749	0.6
221.01735	13.3
222.01894	0.9
225.00743	2.1
242.03546	1.4
243.01924	5.8
244.03221	1.0
253.07475	0.6
258.05029	0.7
260.00189	0.5
260.02570	1.6
260.05075	2.2
261.03036	100.0
262.03156	6.8
263.02951	1.4
266.03458	0.5
276.06268	0.8
278.00708	0.7
278.03494	1.7
278.96967	0.7
279.00256	0.8
279.02396	1.8
282.99814	0.6
284.00098	1.2
284.04715	7.3
285.04694	0.7
296.97903	0.9
297.06366	0.6
301.00998	1.4
302.00467	2.3
302.05627	9.6
302.10049	0.9
303.00836	1.5
303.05389	1.9
320.04901	1.2
320.08319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0871
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
53.03924	0.8
55.01849	0.8
55.05497	0.4
56.04997	0.3
56.96551	3.3
57.03422	1.0
60.04511	0.3
61.02918	1.7
61.16074	0.3
67.05482	0.6
69.03423	4.5
69.07029	0.3
70.06573	1.0
70.19038	1.5
71.04984	0.6
72.08147	1.8
73.02889	1.0
73.78982	0.3
74.06057	0.4
78.03441	1.0
78.06563	0.2
79.05482	0.7
81.03410	5.9
81.07043	0.4
83.04964	0.5
84.08118	1.2
84.96002	0.6
85.02888	8.3
86.03260	0.3
87.04451	0.7
89.48456	0.2
91.03942	0.4
91.05470	0.9
94.02911	0.5
95.04955	1.5
95.08554	0.3
97.02876	3.2
97.06509	1.1
98.97569	2.8
99.04436	0.9
105.04485	0.3
107.04964	0.4
109.02849	0.9
110.97532	0.6
111.04452	1.1
111.08076	0.4
111.82342	0.3
112.07621	0.5
113.95174	0.3
116.97801	0.3
116.98605	2.0
119.04953	0.4
121.05656	0.3
121.06472	0.9
122.02324	1.4
122.05998	1.2
123.04428	1.6
124.07526	0.3
127.03897	1.4
128.98566	1.5
129.10181	0.5
131.01888	0.3
134.05980	0.4
134.99622	0.5
135.04451	0.3
136.06107	0.3
139.07516	0.3
140.03406	100.0
140.06992	2.1
141.03752	0.9
145.04982	1.5
146.99617	1.0
147.04324	0.3
149.05965	1.2
151.03854	0.3
152.07030	0.8
155.00099	0.4
155.02766	0.5
158.99646	1.1
161.01215	0.6
162.99048	0.4
167.07037	1.1
177.00706	1.4
182.54039	0.3
185.01195	0.3
191.02220	0.4
197.01187	0.5
199.02798	0.4
200.71523	0.3
205.00240	0.3
210.04579	0.3
213.00693	0.4
219.01723	0.9
223.01102	0.4
227.02234	0.5
228.15930	0.4
228.84608	0.2
237.02814	0.8
239.02391	0.4
250.17078	1.2
257.03311	0.5
273.08438	0.3
275.04385	0.4
297.06079	0.4
299.04370	1.0
301.68475	0.5
302.08612	1.3
302.11795	0.6
303.10403	0.7
317.05316	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
57.03419	2.3
61.02915	1.6
61.26587	1.1
65.03942	2.2
67.05497	35.9
69.03420	18.4
69.07050	10.0
70.06591	1.7
70.76328	2.6
70.76694	2.2
72.08109	1.2
81.03401	5.5
84.08125	3.3
85.02889	44.6
86.03262	1.4
86.09692	1.4
94.06519	1.7
94.23690	1.2
95.04952	53.0
97.02876	37.1
98.03172	1.3
103.03925	3.0
109.02882	8.1
110.05987	1.2
112.07584	35.0
112.08302	2.4
113.05987	3.7
122.05996	2.1
123.04415	1.4
124.07565	5.7
127.03929	9.0
136.07574	3.8
140.07042	100.0
141.07391	1.4
145.04962	2.8
154.08614	7.6
178.08603	2.4
182.08109	63.3
206.08107	12.5
236.09142	2.2
248.09154	10.4
266.00558	1.3
284.11441	1.5
302.12457	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.6
57.03426	6.6
60.90968	4.8
66.97834	4.9
67.05473	12.7
69.03404	17.3
70.06566	14.7
70.79820	15.8
72.08145	100.0
79.05460	8.5
81.03385	9.4
81.07028	12.0
82.56629	4.7
85.02892	94.8
86.09683	31.9
87.04455	4.9
91.03983	5.7
91.05431	11.4
93.07030	9.6
94.06509	5.8
95.04943	14.3
95.08578	5.6
97.02887	44.7
103.03903	6.2
108.08105	7.3
109.02880	12.7
109.25266	5.2
122.06002	13.7
126.05451	9.7
127.03887	17.1
130.06512	15.7
132.10179	10.7
136.07578	19.4
140.03386	11.2
140.07080	44.2
143.11784	64.5
145.05002	6.7
152.07047	11.6
157.13330	7.7
164.07013	18.8
171.11296	30.0
176.74854	5.6
178.08710	13.1
182.08134	68.8
183.08142	8.1
203.13824	10.1
206.08112	28.1
236.09132	5.9
248.09070	7.0
257.04321	6.7
259.59528	5.7
302.07507	6.9
302.11337	15.7
303.05020	10.3
323.29303	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	302.2068
Annotation	Ala Val Leu
Peak:m/z	Relative Intensity
50.70903	0.8
55.05505	6.4
57.07069	0.8
57.22112	0.7
60.53627	0.7
62.02642	0.6
62.17670	0.7
64.00372	0.7
64.28869	0.7
67.05511	1.6
69.03416	1.0
70.06588	3.6
70.52919	0.7
70.60210	2.9
72.08144	100.0
73.46964	0.7
79.05496	1.1
81.03400	1.2
81.07044	2.1
81.40934	0.8
84.08172	1.4
85.02908	2.6
86.09171	1.3
86.09695	24.7
91.05457	2.1
93.07028	1.0
95.04949	1.3
95.08611	2.7
96.08958	1.0
97.06560	1.1
100.07654	1.4
105.07042	1.1
109.02857	1.1
111.04411	0.8
116.07086	0.8
121.06517	1.2
122.06009	1.1
123.08090	0.9
130.06549	3.1
131.04889	0.8
132.10201	6.5
133.10103	0.8
135.63651	0.7
136.07568	1.5
140.03412	2.2
140.07066	0.7
143.11775	68.5
144.12125	1.3
150.28625	0.7
157.13329	7.3
171.11266	27.5
176.03462	1.0
182.08241	1.4
185.12898	3.3
203.13907	1.6
231.17009	2.7
234.98946	1.0
271.09680	1.0
285.12253	0.9
302.04095	0.9
302.07520	1.4
302.11325	3.1
303.05130	1.8
303.08878	1.5
303.13599	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83322	0.3
56.96555	0.4
64.94469	0.3
70.29422	1.4
76.75596	0.3
98.97570	0.7
101.00853	0.8
113.90643	0.3
116.98605	1.1
119.01083	0.5
119.01901	8.2
119.62351	0.3
120.01992	0.8
121.01604	0.4
123.52841	0.3
128.80965	0.3
129.06886	0.3
134.99683	1.2
135.40553	0.3
135.99870	0.3
137.02945	3.7
140.98819	0.3
153.00728	0.3
158.99829	0.7
177.00929	16.0
178.01047	4.2
179.00685	3.2
180.00681	0.3
181.03549	0.4
182.99832	0.4
184.00012	0.4
193.04091	0.4
199.04527	0.7
200.02469	0.4
200.84158	0.3
201.00949	1.1
217.04080	2.2
218.01715	0.3
218.03639	1.8
219.01978	25.1
219.03636	0.9
220.02084	7.9
221.01753	8.0
222.01843	1.6
225.00790	2.4
226.00955	0.7
234.82381	0.3
234.99969	0.4
236.99661	0.3
242.03566	0.9
243.01923	6.9
244.01984	2.7
245.01833	0.5
256.97580	0.5
261.03009	100.0
262.03140	34.7
263.02823	7.8
266.03491	0.6
277.00906	0.4
278.01126	0.3
278.12546	0.3
279.00839	0.9
280.02167	0.3
282.99945	0.8
284.04620	6.7
284.99951	1.7
285.04739	2.7
285.99954	0.4
286.04681	0.5
301.01007	1.7
303.00787	3.7
303.05377	6.6
304.05273	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0493
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03926	0.1
55.01849	0.3
65.03925	0.4
67.01858	0.5
67.05483	0.4
68.99408	0.1
68.99778	2.8
69.03412	0.2
70.19975	0.3
70.20371	0.2
79.05490	0.1
81.03410	0.7
81.07046	0.1
90.00592	0.1
91.05449	0.3
93.03407	0.7
95.04956	0.9
97.02880	0.2
98.46797	0.1
103.05417	0.1
104.67597	0.1
105.03380	0.3
105.07037	0.2
107.04927	0.3
109.02873	1.2
110.03638	0.2
111.00791	1.8
111.04439	0.2
115.05418	0.2
117.07006	0.4
121.02847	2.3
121.10156	0.1
123.04412	0.8
127.03899	0.4
128.06192	0.2
129.06981	0.1
131.04897	0.3
133.02803	0.2
133.06424	0.2
135.04419	0.5
137.02324	7.4
137.03391	0.3
138.02589	0.2
145.02824	0.3
145.06459	0.9
145.10081	0.1
147.04381	0.1
149.02316	0.8
153.01802	10.5
154.02200	0.2
155.04893	1.2
157.06471	0.3
159.04399	0.3
161.05978	0.7
163.03876	1.3
165.01808	4.4
166.02536	0.5
173.05971	1.5
177.01816	0.2
177.05418	0.4
179.03389	0.3
183.02861	1.7
183.04416	1.0
187.03870	1.1
191.03384	0.4
191.07030	0.2
195.02856	0.5
200.04678	0.1
201.05441	4.3
202.05832	0.1
205.04979	0.4
207.02898	0.3
211.03883	0.4
213.05516	0.3
215.03271	0.2
217.04961	0.1
219.02882	0.3
219.06511	0.5
228.04095	0.7
229.04932	9.5
230.05316	0.4
232.03590	0.1
233.04509	0.1
239.03455	0.5
243.02992	0.1
246.05292	0.2
247.05998	1.3
257.04422	5.4
258.04797	0.2
274.04749	1.3
275.05334	0.4
285.03906	2.3
286.04465	0.2
303.04947	100.0
304.05280	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	303.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.2
55.01858	0.5
56.96532	0.1
57.05400	0.1
61.60890	0.1
65.03910	0.4
67.01879	0.3
67.05482	0.4
68.99780	2.3
69.03416	0.2
69.40044	0.2
69.40441	1.5
71.04949	0.2
76.96745	0.1
79.05485	0.2
81.03406	1.0
81.07040	0.6
82.72929	0.1
91.05470	0.4
93.03372	0.6
93.07043	0.2
95.04950	1.0
95.08591	0.4
103.05443	0.2
105.03342	0.3
105.07021	0.3
105.90030	0.1
107.04922	0.3
107.08530	0.2
109.02859	1.3
109.10095	0.2
111.00787	1.9
111.04481	0.2
115.05434	0.2
117.06985	0.6
119.04979	0.1
119.08534	0.2
121.02847	1.9
121.06467	0.2
121.10119	0.2
123.00774	0.6
123.04398	0.7
123.08004	0.1
127.03894	0.6
131.04910	0.5
133.02814	0.2
133.06461	0.3
135.04431	1.1
136.07570	0.2
137.02321	8.1
137.03326	0.3
137.05934	0.4
143.04929	0.2
145.02811	0.2
145.06454	0.7
146.05974	0.2
147.04366	0.3
149.02309	0.6
151.07509	0.2
153.01805	10.1
155.04865	1.2
157.06448	0.3
159.04395	0.4
161.05922	0.7
163.03897	1.2
163.07339	0.1
165.01828	3.8
166.02527	0.5
168.07936	0.1
169.01283	0.4
173.05991	1.5
177.01817	0.3
179.03305	0.3
183.02869	1.6
183.04413	0.9
187.03880	1.0
188.07080	0.3
191.03345	0.2
195.02872	0.4
200.04547	0.2
201.05434	4.0
205.04932	0.4
207.02870	0.2
211.03926	0.5
213.05458	0.3
215.03510	0.2
219.02994	0.3
219.06477	0.4
228.04173	0.6
229.04935	9.2
230.05353	0.6
233.04459	0.2
239.03409	0.4
245.04530	0.3
247.06035	1.4
256.03790	0.2
257.01666	0.3
257.04395	5.5
258.05072	0.2
259.14377	0.2
261.03958	0.3
274.04675	1.4
275.05423	0.4
285.03882	2.3
285.12283	0.4
286.04596	0.2
303.04947	100.0
304.05298	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	303.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12780	1.7
53.03933	2.7
55.05481	2.2
56.05034	1.9
56.96554	24.7
57.03426	2.6
60.05637	1.7
61.02918	1.9
67.05479	3.7
69.03417	6.8
69.07047	2.0
69.91003	9.7
70.06577	4.2
71.04974	3.4
71.95259	1.9
72.08143	4.1
74.46622	1.7
81.03405	18.8
81.07025	2.4
83.04962	3.8
84.04482	4.2
84.08142	7.6
84.24251	1.7
84.96024	5.6
85.02889	10.3
86.09692	3.3
87.04472	1.7
91.05460	5.5
92.38096	1.7
93.07023	4.5
95.04967	10.5
95.08591	2.8
97.02873	6.1
97.06509	2.2
98.20737	2.7
98.97566	100.0
99.04455	2.6
107.04919	2.1
110.07169	5.6
110.97579	3.8
111.04444	2.3
112.02152	2.4
112.99162	2.3
116.07104	2.1
116.98607	81.7
121.06509	7.5
123.04416	6.7
123.08037	2.3
128.98570	10.0
129.10211	3.0
130.08620	2.3
131.00156	7.8
134.99641	51.1
140.00163	3.7
140.03424	21.9
140.94238	1.7
141.03760	21.1
141.05420	2.9
143.00146	2.9
145.01741	2.5
146.99632	9.3
148.44621	1.7
149.01228	5.2
149.05968	17.9
150.06343	2.3
153.00717	3.8
158.01270	2.5
158.99634	44.8
159.03230	4.8
161.01161	4.7
161.02882	2.0
162.99110	2.0
167.07047	8.8
170.99792	2.2
173.01224	3.5
175.62653	1.8
177.00688	72.2
177.04167	4.0
185.01245	1.8
185.09219	2.2
189.00705	3.8
191.02171	2.3
195.01758	5.1
200.02287	6.7
201.00766	3.7
201.04289	3.4
219.01727	20.9
219.05139	2.0
233.03391	2.1
237.02794	20.9
241.03711	2.8
243.05255	2.5
303.04584	3.4
303.07181	10.6
303.10638	18.2
303.15414	3.6
321.08572	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	303.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.5
55.01851	7.0
55.05490	4.4
56.96553	6.1
57.03413	5.3
61.02903	6.7
66.57224	2.0
69.03410	9.7
69.42307	29.6
69.42679	4.5
70.06583	5.6
70.98128	2.3
71.04613	3.7
71.04983	67.0
71.05379	3.5
72.08136	4.7
73.02896	7.2
73.50979	2.7
79.05480	3.6
81.03419	6.4
82.06596	2.6
82.96408	2.3
83.81503	2.5
84.08105	4.3
85.02890	22.3
97.02855	6.3
97.24007	2.2
98.06037	47.1
98.21545	4.5
98.97539	8.0
99.04445	38.6
101.00894	3.7
101.60526	2.2
109.02762	3.1
110.06036	5.2
114.05532	2.8
115.02382	2.8
115.08684	3.2
116.07072	26.0
116.98573	2.6
119.01896	8.6
119.60869	2.4
124.07571	3.4
127.03897	6.3
131.01915	8.1
138.05508	5.5
140.07076	4.1
142.08624	5.5
145.03397	3.4
148.07579	4.7
152.07019	6.1
157.09583	2.5
161.02872	3.9
163.02701	3.3
171.01350	3.0
173.02957	4.1
176.07092	10.4
178.08604	4.0
181.23788	2.6
183.05142	3.4
188.09129	12.5
189.06082	2.9
190.08647	5.8
201.06076	3.2
203.04102	2.9
204.06552	3.1
207.11136	2.6
213.03409	6.1
218.08099	10.9
221.05046	4.8
231.03429	3.0
235.10684	16.8
238.10780	6.2
250.10698	9.0
267.13303	3.2
285.14426	6.2
303.08005	20.6
303.15518	100.0
304.07971	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	303.0858
Annotation	Homoeriodictyol chalcone
Peak:m/z	Relative Intensity
53.03917	0.6
53.27554	0.4
55.01859	1.0
55.05490	1.3
57.03429	0.5
65.03946	0.4
67.01855	7.2
67.05484	2.1
68.99775	3.6
69.03420	2.7
69.07045	1.3
69.77003	1.7
69.77420	1.2
71.04964	1.1
79.05489	2.6
81.03400	1.1
81.07035	3.4
81.76746	0.4
83.01308	1.0
83.04961	0.9
85.02872	0.6
85.06521	0.8
89.03902	4.9
91.05449	2.8
93.03385	0.5
93.07024	3.3
95.04953	1.4
95.08595	3.2
97.02870	2.0
97.06499	1.8
98.20714	0.5
99.04442	0.5
99.33264	0.4
103.05452	0.9
105.07024	2.9
106.04156	0.5
107.04957	0.9
107.08573	2.1
109.02884	0.8
109.06502	0.8
109.10112	2.0
111.00764	0.9
111.04423	1.4
115.05424	0.4
117.03358	13.8
117.04189	0.8
117.06997	0.7
119.04932	1.4
119.08551	2.8
121.02818	0.4
121.06502	1.1
121.10097	2.1
122.03661	0.8
123.04404	1.8
123.08022	0.6
125.02332	1.4
125.05975	1.1
127.03894	1.0
128.06178	0.7
129.01836	0.9
129.06978	1.1
131.04916	0.5
131.08553	1.0
133.06445	0.5
133.10100	1.9
134.03621	1.0
135.04393	2.3
135.08067	0.8
135.11679	0.7
137.02298	0.6
137.05959	4.7
143.08516	0.8
145.02821	27.2
145.06406	0.5
145.10086	1.7
146.03105	0.7
147.08000	0.5
147.11665	0.8
149.05952	5.6
149.09612	0.5
151.03838	1.6
151.07506	3.4
153.01799	100.0
153.05421	1.4
154.02121	1.2
155.08524	0.6
157.06462	0.4
157.10072	0.8
159.11641	1.0
161.13261	0.6
162.03125	0.6
163.03888	1.5
163.07492	0.5
163.11156	0.6
165.06952	1.0
167.07031	0.5
169.06412	0.8
169.10172	0.6
171.02855	32.8
173.13275	0.8
177.05437	39.6
179.03368	9.2
179.28735	0.4
183.08054	1.0
183.11667	0.6
185.08257	0.5
186.05447	1.2
189.09151	0.7
197.05891	0.6
198.09129	1.3
199.14825	1.2
200.10701	1.1
201.05490	0.5
201.16345	0.5
211.07533	0.7
211.14816	0.6
213.16409	0.6
215.06931	0.5
215.11719	1.0
217.15904	0.9
219.06487	0.9
227.82143	0.5
229.04971	1.0
229.13571	0.6
229.15750	0.5
243.11394	2.2
247.06090	0.5
249.81645	0.4
257.04263	0.6
257.09863	1.3
257.12643	1.0
259.05478	0.8
260.05792	3.6
269.08221	0.9
270.08795	0.6
271.09637	0.8
285.07498	1.7
285.12332	4.3
285.15128	0.8
285.18469	0.4
285.22174	0.8
288.05249	6.2
303.04916	7.4
303.08493	55.9
303.15976	1.1
303.19736	0.9
303.23190	2.5
304.08679	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0858
Annotation	Homoeriodictyol chalcone
Peak:m/z	Relative Intensity
50.80370	0.3
51.06240	0.4
53.03930	0.5
55.01866	0.7
55.05495	0.8
55.25271	0.3
64.27490	0.3
65.03923	0.9
67.01858	7.9
67.05483	1.5
68.99776	4.7
69.03430	2.3
69.07041	0.9
69.65540	1.9
69.65968	1.1
71.04973	0.6
72.94275	0.4
79.05469	0.9
81.03415	1.6
81.07034	1.6
83.01328	1.1
83.08611	0.4
85.02894	0.4
89.03911	4.5
91.05470	2.1
93.03397	0.5
93.07019	1.5
95.04942	1.1
95.08588	1.6
97.02856	2.0
105.07012	1.6
107.08588	1.4
109.06527	0.6
109.10122	0.5
111.00782	1.2
111.04432	1.3
111.08081	0.4
117.03368	13.3
117.04191	0.7
117.07011	0.7
119.04927	0.9
119.08579	1.1
121.02855	0.7
121.10094	1.2
122.03661	0.6
123.04418	1.7
123.08014	0.4
125.02348	0.9
125.05962	0.9
127.03897	1.1
127.11153	0.4
129.01831	0.7
129.06961	0.6
131.04944	0.7
131.08545	0.7
133.10118	0.9
134.03609	1.2
135.04373	1.3
137.02338	2.3
137.03209	0.4
137.05948	4.3
141.07007	0.5
145.02837	27.8
145.06461	0.6
145.10120	0.8
147.11671	1.1
149.02327	0.5
149.05969	4.7
149.09660	0.4
151.03889	1.7
151.07535	3.3
153.01810	100.0
154.02130	1.5
155.04942	0.7
155.10738	0.4
156.74786	0.4
157.10168	0.4
159.04416	0.4
159.08035	0.4
159.11652	0.6
161.05948	0.5
162.03076	0.9
163.03879	2.2
165.01846	1.5
165.07004	0.7
166.02650	0.5
171.02870	29.5
171.11626	0.6
172.03181	0.6
173.06039	0.7
177.05447	34.4
179.03368	8.2
181.06238	0.4
183.02826	0.8
183.04358	0.7
183.08066	1.0
185.07184	0.4
186.05481	0.9
189.09027	0.4
191.06931	0.5
201.05386	1.9
201.08955	0.4
205.04712	0.4
211.07510	1.1
215.07010	0.4
219.06551	1.1
229.04942	3.5
239.07040	0.9
243.10239	0.4
253.05101	0.5
257.04440	1.5
257.08313	0.8
260.05511	0.4
261.07700	0.5
274.04797	0.5
285.04083	0.7
285.07706	1.2
285.12021	0.8
285.22049	0.5
288.05188	0.7
303.04962	29.7
303.08621	44.7
303.23257	1.1
304.05243	1.7
304.08585	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60962	1.4
53.03939	2.4
55.01850	2.4
55.05499	3.7
57.03424	6.6
58.06588	1.8
60.04520	9.6
60.04778	1.5
61.02908	6.1
67.05506	4.4
69.03424	19.7
69.07061	50.0
70.06570	5.3
71.00681	2.1
71.01022	3.5
71.04983	2.9
71.08622	24.3
71.08975	2.9
72.08129	4.1
73.02872	2.0
74.06044	1.8
79.05485	1.7
81.03402	10.3
81.07031	2.2
84.04482	7.9
84.08117	2.2
85.02893	84.5
86.02428	7.7
86.09710	3.1
91.03944	1.8
92.17475	1.6
93.07027	1.7
94.06560	5.0
96.04488	1.7
96.08114	4.7
97.02879	54.3
97.06503	8.1
99.04446	3.3
99.49329	1.7
103.03925	5.6
107.08599	1.7
109.02847	12.9
114.05515	4.0
114.09151	21.6
123.06366	1.9
124.07589	2.5
126.09129	3.7
127.03906	17.0
127.09415	2.5
132.10207	2.6
138.09128	5.8
142.08615	100.0
145.04950	8.8
150.05472	8.5
151.05844	5.4
152.07051	4.4
153.07420	3.9
156.10156	3.3
167.05373	2.5
167.07042	2.8
168.07489	3.8
181.92622	1.8
184.09666	89.1
185.09267	3.4
208.09621	18.0
220.09634	3.3
238.10670	4.6
250.10771	14.1
253.13756	1.6
258.13214	1.9
268.11710	2.8
274.12692	2.4
286.12692	12.2
287.13541	2.0
304.13623	12.4
305.15598	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	305.0178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	2.3
55.01829	2.7
55.05484	1.1
56.96558	100.0
56.96828	3.3
57.03406	3.2
58.99839	1.2
61.02913	4.9
65.03899	1.2
67.05471	2.2
67.13771	1.0
67.18356	1.0
68.78258	1.0
69.03421	8.8
70.06551	2.7
70.28731	4.2
70.98109	17.5
71.01333	4.9
71.04955	3.2
71.95248	5.5
72.08113	2.1
72.47612	0.9
72.96005	2.7
73.02915	5.1
74.97585	2.5
77.00829	1.2
78.71066	0.9
79.05485	6.8
80.05775	1.7
81.03403	15.8
81.04514	5.6
81.06997	3.7
83.04926	4.7
83.05344	1.0
84.08089	2.0
84.96037	7.6
85.02888	15.1
85.06480	4.7
86.99299	1.1
87.04411	2.2
88.99146	10.2
91.03892	1.2
91.05453	5.3
93.06973	3.5
95.04966	6.6
95.06035	3.5
97.02888	11.2
97.06511	1.1
98.03219	1.0
98.06030	1.5
98.35303	1.1
98.97571	86.1
99.04430	2.7
101.00858	11.4
102.00931	1.1
102.96946	1.1
103.02406	2.1
103.05367	1.0
105.00346	1.3
107.00147	2.2
107.04927	5.7
109.02804	3.2
109.06451	2.7
110.97552	9.1
111.04379	4.6
112.99068	2.2
113.00843	2.5
113.02311	1.7
113.03468	1.1
113.04377	1.2
115.00599	1.5
115.02333	3.7
116.07085	1.0
116.98605	54.1
119.01917	25.6
120.01962	1.2
121.01586	3.0
121.03426	1.3
121.06480	8.6
123.04392	2.7
124.95464	5.8
125.06015	1.3
125.07027	5.8
127.03905	4.8
127.04719	1.0
128.02290	1.4
128.98572	11.8
129.03885	2.2
129.05330	1.1
131.00238	5.2
131.01900	22.1
131.05539	14.7
133.01686	4.9
133.03455	10.4
134.99649	23.0
135.04347	3.8
137.00781	1.1
137.02837	3.6
137.05980	1.2
140.00119	2.2
140.98502	2.8
141.06496	1.1
142.96504	12.9
143.00166	6.9
143.01857	9.4
143.05472	2.5
143.07130	1.4
143.08131	20.4
144.01843	1.2
144.97995	2.2
145.01595	4.6
145.03427	12.7
145.04510	1.8
146.99634	11.5
147.01283	2.3
147.03159	1.6
147.04964	2.7
149.01089	2.9
149.02879	3.2
149.05740	5.2
149.06502	12.2
150.06215	2.0
153.00577	4.3
153.05397	1.4
154.96397	1.3
155.01868	15.5
155.05504	2.0
156.02571	4.2
157.01537	2.1
157.03430	8.3
158.99628	10.8
159.03183	2.1
159.04973	5.3
160.00085	1.1
160.97577	7.6
161.00084	1.1
161.01114	12.5
161.02841	18.1
161.05353	1.2
161.06573	16.6
162.03098	2.2
162.99026	4.4
163.02641	3.7
163.04019	1.7
164.04329	1.1
165.00693	6.5
165.05359	1.4
167.05409	1.6
167.06906	2.4
169.03430	1.5
169.07066	1.2
170.95914	4.9
170.99535	4.7
171.04964	2.5
172.97545	6.5
173.01297	2.4
173.02936	23.1
173.06589	14.6
174.99127	7.2
175.02768	2.8
175.04405	4.8
177.00714	13.1
177.04155	2.7
177.05786	1.1
178.98592	1.4
179.02112	4.7
179.07579	5.0
181.03349	1.9
181.04774	4.4
183.06418	1.3
184.97609	6.5
185.01065	4.3
185.02843	7.9
185.04706	2.5
185.06537	15.8
186.06169	3.8
186.56212	1.4
186.99022	4.0
187.04433	2.2
187.08098	4.8
188.95514	1.9
188.97049	29.1
189.00723	10.4
189.02303	2.1
189.05957	3.9
190.98592	20.9
191.02112	4.5
191.03848	2.7
191.07663	1.3
193.00195	10.8
195.01642	1.9
195.06801	1.3
196.04668	1.5
197.02765	3.3
197.04799	1.1
197.06543	6.9
199.04448	2.6
199.08046	3.3
200.02147	1.3
201.00563	2.6
202.04887	2.4
202.98645	14.5
203.02109	11.3
203.03925	10.1
203.05998	2.0
203.07610	24.5
205.00160	11.2
206.98090	16.5
207.01765	7.3
208.99681	5.2
209.06398	4.5
211.01016	1.9
211.04497	1.1
212.96869	2.6
213.03214	2.3
214.00203	1.3
214.05861	1.4
214.98579	5.5
215.00362	1.4
215.02071	1.6
215.04097	1.6
215.07631	28.9
217.00038	4.6
217.03610	2.0
217.05527	1.3
217.09233	5.3
219.01726	6.7
220.99699	12.7
221.03259	3.2
221.05032	27.2
221.06938	1.2
223.01147	6.5
223.04556	1.7
226.03627	1.6
227.07451	4.0
230.95972	1.3
230.98093	20.7
232.99669	9.2
235.01083	3.6
237.02759	7.7
239.00575	1.7
239.07678	7.3
244.99541	4.7
245.05045	19.6
245.08611	4.1
248.99170	10.4
251.00600	2.1
257.08807	4.9
263.00763	19.5
263.03491	1.4
263.06027	3.1
265.05829	2.1
267.03537	1.1
269.08469	1.4
275.10016	7.2
279.09290	1.4
280.09311	1.5
281.01791	14.9
287.09634	5.2
293.05295	1.2
299.02542	2.0
305.01443	2.5
305.05151	14.3
305.10748	81.9
307.06757	1.3
323.02951	1.4
323.06375	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	305.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98210	0.4
53.03935	1.0
55.05510	2.3
55.93549	0.5
57.03436	0.4
57.07092	0.5
65.96010	0.4
67.05497	7.2
69.03413	1.3
69.07053	4.1
71.04997	1.4
71.50415	0.8
73.15670	0.6
77.03933	0.6
79.05475	3.7
81.03416	0.6
81.07041	10.5
83.04972	0.6
83.08614	1.0
85.06538	1.1
91.05461	5.5
93.05779	0.6
93.07040	6.2
94.06574	1.1
95.04950	3.5
95.08598	6.8
97.06513	1.7
99.08086	0.5
105.07024	2.2
107.08578	3.9
108.08105	1.8
109.02810	0.4
109.06506	1.0
109.10134	3.2
111.08045	1.5
113.05957	0.5
115.07642	0.5
117.07019	0.7
119.08537	1.8
121.10117	3.6
122.05996	3.7
123.08041	0.6
123.11697	2.3
124.07575	9.0
125.09618	0.7
126.05495	1.0
131.08527	1.9
133.10120	1.5
135.08008	0.5
135.11656	1.8
136.07558	100.0
137.07916	1.4
137.09564	0.5
138.09135	0.7
139.11183	0.6
139.55229	0.4
140.07065	1.3
145.10062	1.5
147.11659	1.3
149.13223	1.0
150.05504	1.0
151.11147	0.9
152.07053	19.7
159.11679	1.2
164.07045	71.1
165.07388	1.3
166.08569	0.6
170.08112	3.4
175.14819	0.6
182.08102	14.7
187.14738	0.5
191.17903	0.6
215.17912	1.2
233.18925	0.8
239.92725	0.5
245.12897	0.8
251.20020	1.1
269.20932	1.0
287.13785	5.8
287.23639	0.5
304.26727	0.5
305.14926	1.3
305.24619	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1491
Annotation	NSC 177499
Peak:m/z	Relative Intensity
53.03924	0.7
65.03945	0.8
67.05480	3.2
71.15083	1.7
71.49133	0.6
79.05475	1.3
80.04976	0.6
81.07037	1.2
82.06548	0.8
91.05448	1.3
93.05743	0.9
93.07024	0.8
94.06544	4.4
95.04943	1.1
103.05449	0.9
106.06520	1.2
107.07285	0.6
108.08092	17.0
108.08814	1.0
109.06495	0.6
110.06003	5.8
118.06517	5.3
119.07291	5.8
120.08073	8.2
122.06011	4.7
123.06778	1.9
124.07571	10.7
133.07602	1.1
134.05937	0.6
136.07544	100.0
137.08034	0.7
138.09082	0.8
140.07037	0.7
142.08597	10.2
145.07578	0.6
146.05960	5.8
146.08397	1.0
147.06746	2.3
147.09109	1.2
148.07562	6.5
152.07031	2.5
154.08626	3.6
160.07538	1.6
161.06987	1.4
164.07030	43.3
166.08601	0.7
168.08069	1.1
170.08354	1.4
170.09659	1.0
171.09161	0.9
173.07114	0.9
173.10690	4.3
174.07838	2.0
174.11517	0.7
175.08690	0.7
181.08833	1.8
183.09154	1.7
184.09882	1.4
185.10669	1.6
195.09216	1.6
196.11185	2.8
197.10742	2.9
198.07813	1.5
198.11514	3.3
200.10722	0.9
201.10208	4.4
202.10945	0.8
211.08598	1.9
211.12149	1.2
212.09436	2.6
213.10155	6.9
213.13724	3.9
215.11800	0.9
223.12276	1.3
224.10690	3.4
225.10136	5.4
226.10966	9.2
227.08031	0.7
227.11667	1.3
229.13353	0.8
239.07935	0.8
239.11729	1.2
240.08755	1.1
240.12547	3.8
241.09717	6.4
241.13303	23.9
254.10506	3.6
259.14365	31.5
260.14896	0.8
269.12793	42.0
277.15414	2.3
287.13840	39.5
288.14023	0.9
299.89084	0.6
304.41299	0.6
305.14883	75.9
306.15268	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14623	0.8
53.03932	1.9
55.01862	2.9
55.05504	7.2
56.60154	0.8
57.03429	1.9
58.94280	0.8
65.03919	5.0
67.05497	52.4
69.03410	1.2
69.07063	4.9
69.46449	8.1
72.77834	0.8
79.05480	14.6
81.03410	1.5
81.07046	12.3
83.04965	1.9
83.08605	1.6
91.05468	16.8
93.07037	13.6
94.25609	0.7
95.04955	100.0
95.08585	8.8
95.73186	0.8
97.06535	4.0
97.10174	0.8
99.08073	1.0
105.07021	12.4
107.04932	8.2
107.08590	6.2
109.06520	4.0
109.10120	1.9
111.08064	2.4
115.05449	1.2
116.06215	0.8
117.06982	4.9
119.08574	5.8
121.06517	4.7
121.10136	4.3
123.08051	1.6
125.09642	1.2
129.06987	3.3
130.91925	0.9
131.08554	8.6
133.06435	4.2
133.10077	3.7
135.08038	3.3
135.11676	4.4
137.05939	3.2
142.07822	1.0
143.08600	4.0
145.06447	1.3
145.10110	4.6
147.08063	4.8
147.11716	1.1
149.09586	1.6
149.13222	2.0
157.10081	1.5
159.11638	2.5
161.09583	2.4
161.13177	1.3
163.11176	2.1
171.11647	1.4
173.13312	1.3
177.12698	2.4
185.13223	1.9
187.11183	1.1
217.15808	0.8
227.17924	1.2
245.19044	1.4
273.18488	20.7
274.18954	1.1
305.21219	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	305.2107
Annotation	Caribenol B
Peak:m/z	Relative Intensity
51.04471	0.3
53.03926	0.9
55.01862	3.0
55.05505	10.7
57.03421	0.5
58.49876	0.3
58.62939	0.3
59.04972	0.5
65.03925	0.8
67.05498	7.5
67.61617	0.4
69.03407	1.5
69.07053	4.9
70.30234	0.6
70.30644	1.2
71.04981	0.8
73.06524	0.4
79.05482	9.7
81.03424	0.6
81.07046	10.8
83.04952	1.1
83.08606	4.8
88.51245	0.3
91.05474	9.9
93.07037	7.6
95.04959	3.7
95.08594	3.6
97.06522	0.7
97.10165	6.0
103.05453	0.5
105.03416	0.4
105.07017	8.9
107.04945	4.8
107.08576	4.9
108.05708	0.5
109.06503	0.9
109.10151	1.0
111.08044	0.7
115.05415	0.9
115.11134	0.3
116.06195	0.6
117.07014	4.7
119.04944	1.9
119.08566	9.2
120.05730	0.6
121.06484	3.6
121.10123	2.3
123.08021	0.8
125.09618	3.8
128.06209	0.8
129.07002	3.3
130.07768	1.0
131.08551	5.2
133.06474	4.3
133.10153	1.9
134.07266	0.9
135.08025	3.2
135.11635	0.8
137.09618	0.3
141.06963	0.5
143.08546	2.0
144.09320	0.4
145.06429	0.6
145.10118	4.2
147.08026	6.1
149.09587	1.3
149.13245	0.4
157.10059	1.6
159.08066	0.9
159.11681	1.2
161.09549	2.1
161.13249	0.4
162.10359	0.8
163.11150	1.4
171.11618	0.8
173.09615	0.4
175.11162	1.2
185.13181	0.5
187.11150	0.4
189.12761	0.4
203.12695	2.1
237.14677	0.5
245.19133	0.4
255.17436	0.8
263.16217	0.6
273.18454	6.1
287.20020	0.6
305.21075	100.0
306.21442	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	305.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
54.77079	1.1
55.01862	8.2
55.05505	11.4
57.03425	8.6
57.07061	1.4
60.61623	1.0
65.03923	5.0
67.05495	55.3
68.24655	1.2
69.03419	2.8
69.07063	7.3
70.24311	1.1
71.04966	1.9
71.70750	1.7
79.05480	28.5
81.03404	2.3
81.07042	23.4
83.04971	2.6
83.08592	3.0
85.06505	2.6
91.05470	25.1
93.07029	23.8
95.04955	100.0
95.08588	12.0
97.06493	5.7
97.10176	2.3
103.05450	1.9
105.07018	19.9
107.04933	9.9
107.08572	13.0
109.06507	25.4
109.10114	2.8
111.08058	3.7
115.05450	2.8
117.07000	9.5
119.08578	10.2
121.06493	8.6
121.10145	6.2
123.08041	3.1
125.09577	2.4
129.06990	4.1
131.08545	16.4
133.06462	4.7
133.10109	6.2
135.08032	29.4
135.11649	6.7
137.05974	6.5
137.09573	2.5
141.21266	1.1
142.07776	1.4
143.08565	7.3
145.06422	1.2
145.10124	9.4
147.08026	6.1
147.11705	2.6
149.09604	5.0
149.13271	2.7
157.10107	4.1
159.07971	2.1
159.11656	5.4
161.09601	6.5
163.07504	2.2
163.11192	2.4
165.12744	3.2
169.10129	2.2
171.11708	2.7
173.09743	1.3
173.13278	2.0
175.11205	2.2
177.12708	4.8
183.11667	2.4
185.09491	1.9
185.13235	2.9
187.11154	1.9
195.11642	1.6
201.12769	1.5
205.12259	1.3
217.15811	7.0
227.17870	2.3
237.16292	2.1
245.19109	2.2
251.17775	1.1
254.85205	1.2
255.17578	2.5
257.80032	1.4
273.15677	2.0
273.18463	27.7
305.21036	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	305.2466
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03932	7.3
55.01860	9.6
55.05497	28.8
57.03423	5.1
57.07059	12.4
59.04989	7.2
65.03930	5.8
65.87183	2.7
67.05494	39.9
69.03418	17.3
69.07055	39.3
70.06584	24.5
71.04972	23.9
71.08618	5.8
72.08146	3.5
73.06579	3.4
79.05471	48.5
81.03407	9.7
81.07040	100.0
83.04973	10.6
83.08598	15.9
84.08160	3.1
85.02885	5.6
85.06528	8.0
88.07620	7.8
91.05453	39.8
93.07024	79.5
95.04960	18.0
95.08588	73.4
95.23096	2.9
97.06515	21.4
97.10150	12.6
99.04437	6.0
99.08075	10.5
101.70626	3.0
103.05447	4.0
105.07005	67.2
107.04873	5.8
107.08573	91.1
109.02888	7.8
109.06499	13.3
109.10123	47.2
111.08080	6.1
117.03397	3.4
117.07014	11.6
119.04906	3.7
119.08562	57.7
121.06498	11.5
121.10135	56.1
123.04399	8.0
123.08052	9.2
123.11702	18.6
125.09595	12.4
127.03909	5.5
127.11178	21.6
128.06171	3.3
129.06976	8.2
131.04826	3.1
131.08545	22.3
132.10199	4.4
133.06479	7.6
133.10103	39.6
135.08018	10.5
135.10733	4.8
135.11661	42.1
136.07545	8.5
137.05934	9.6
137.09605	6.8
137.13232	8.8
139.11095	6.6
141.06992	4.2
142.07784	5.0
143.08507	11.4
143.10680	5.4
145.02821	5.2
145.10095	32.6
146.11743	5.3
147.04399	4.2
147.08028	9.4
147.11661	57.6
149.05917	5.4
149.09598	7.3
149.13217	44.2
151.07542	4.7
151.11142	12.1
153.12686	3.2
155.08531	3.2
155.10684	6.0
157.08813	2.7
157.10072	17.4
159.08072	4.9
159.11658	27.5
161.05942	3.6
161.09625	6.3
161.13275	13.9
163.07544	6.3
163.11179	7.8
163.14778	9.9
164.07063	2.9
165.12737	5.6
168.05519	3.9
169.10085	4.4
171.11664	10.9
173.13187	17.3
175.07523	3.9
175.11234	4.7
175.14798	9.5
177.05458	9.0
177.12737	5.4
177.16290	5.1
179.07112	4.1
179.14307	5.5
183.11714	4.1
185.13239	10.7
187.11227	3.8
187.14812	8.4
189.16344	12.4
191.17879	3.3
193.15758	3.2
199.14810	9.7
200.20070	14.3
201.16353	39.2
203.03256	3.5
203.14325	4.8
203.17839	14.0
205.12199	3.1
213.05293	3.1
213.16389	7.2
215.17964	3.3
217.19492	5.7
219.17445	5.3
227.17819	3.5
229.19485	3.7
231.17458	5.4
233.13322	3.2
244.22693	26.7
257.08063	8.3
259.16846	4.9
262.06281	3.1
269.22504	14.8
287.13565	4.2
287.16492	15.3
287.23575	27.1
290.90421	3.1
305.05289	7.3
305.10971	3.4
305.14145	12.0
305.17456	24.4
305.21259	10.0
305.24805	44.0
306.17657	4.4
306.26331	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.4
57.03422	1.1
60.04534	0.4
61.02924	1.3
67.05487	0.5
69.03421	4.9
69.59907	1.4
69.60332	2.1
70.06580	1.0
71.04987	0.8
72.08162	0.5
72.98485	0.4
73.02904	0.9
74.06068	3.2
78.03462	0.6
80.05028	0.6
81.03415	2.2
81.07049	0.6
84.41557	0.4
85.02890	17.3
85.06522	0.7
85.37791	0.4
87.04461	1.1
90.02872	0.6
90.03423	4.9
97.02884	4.1
98.06032	0.6
98.99983	2.4
99.04454	1.2
103.03931	0.7
105.25054	0.4
108.04436	0.7
109.02871	2.1
115.03936	0.7
115.47649	0.4
116.07085	1.3
116.98610	0.4
120.06565	0.7
126.01052	100.0
126.05495	3.4
127.01949	2.6
127.03895	4.0
128.02612	1.9
135.04382	0.6
136.07542	0.7
137.05969	1.1
144.02090	82.9
144.06546	1.1
145.02470	0.6
145.04999	1.8
146.05974	1.0
162.09146	0.9
163.03908	2.4
164.04285	0.6
171.86838	0.4
186.03154	1.5
188.07013	0.5
210.03146	0.7
218.79584	0.4
235.96017	0.4
246.14839	0.5
249.99255	0.4
270.13147	0.6
288.06244	1.7
288.11084	0.4
288.14276	0.8
306.07401	3.0
306.17261	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	306.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.1
53.03938	0.1
55.01867	0.1
55.05500	0.3
57.03438	0.1
57.07060	0.2
57.90689	0.1
58.02943	0.3
66.04709	0.2
67.05481	0.3
69.07057	1.6
71.00165	0.2
71.00500	0.1
71.04993	0.1
78.22813	0.1
79.05492	0.7
81.07046	0.9
83.08594	0.2
84.08125	0.2
86.06041	0.1
91.05472	0.7
93.07046	0.5
93.88161	0.1
94.04180	2.2
95.08595	0.4
97.06509	0.5
100.07608	0.4
105.03401	0.1
105.07045	0.2
107.04949	0.3
107.08591	0.7
109.06496	0.4
109.10154	0.8
111.11744	0.1
112.07616	0.1
114.09129	0.5
122.03633	7.2
123.11683	0.2
126.09131	0.4
133.10132	0.7
135.11678	1.2
137.05959	100.0
138.06300	1.1
144.81474	0.1
147.11667	0.1
151.11169	0.4
153.12732	1.2
165.12740	0.1
165.50552	0.1
170.15388	2.2
182.15393	2.7
306.20569	1.3
307.20746	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	306.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67547	0.2
53.03938	0.5
54.21250	0.2
55.01867	1.1
55.05244	0.4
55.05504	8.0
56.05017	0.3
56.96555	0.2
57.07048	0.9
57.63537	0.2
63.84830	0.2
65.03912	0.6
67.05495	11.2
69.03386	0.4
69.07059	9.0
70.51210	0.9
71.08628	0.3
72.04491	0.6
79.05478	2.6
81.07044	8.5
82.06538	0.3
83.05004	0.2
83.08608	2.6
85.05278	2.3
86.06059	1.0
91.05475	1.7
93.07029	2.0
95.04965	0.4
95.07999	0.4
95.08589	5.9
96.08147	0.5
96.08922	0.3
97.06504	0.5
97.10144	0.9
98.06040	17.2
98.21385	0.2
99.06842	0.5
105.07014	1.0
107.08570	1.3
108.08070	0.2
109.06487	0.3
109.10136	2.1
110.09679	0.6
112.07596	2.2
116.42413	0.2
119.08546	1.6
121.10117	0.9
122.09667	0.3
123.11735	0.4
124.07560	0.5
124.11221	0.4
125.08384	0.2
125.09575	0.5
126.09135	0.7
131.08578	0.3
133.10091	0.8
135.11678	0.2
137.05956	2.7
138.09067	0.4
140.10661	0.8
145.10121	0.4
147.11662	0.4
154.12216	1.2
161.13094	0.2
165.21761	0.2
166.12247	0.3
168.13828	0.3
179.08653	0.2
181.09985	0.2
182.15363	0.5
183.11777	0.3
194.15494	0.2
196.16959	0.9
208.16946	0.9
210.18463	0.4
217.46225	0.2
222.18465	0.7
236.20056	0.8
250.21680	0.4
275.20099	0.7
277.28146	0.2
306.27859	100.0
307.24072	0.7
307.28195	2.5
313.69006	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	307.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00652	0.9
55.01852	1.4
56.96547	4.0
57.03398	1.3
57.79929	0.9
58.99843	1.0
60.27256	0.9
61.02911	3.8
65.04047	0.9
67.05494	0.8
69.03403	1.4
70.06567	1.1
71.70319	1.2
73.02915	1.1
77.00868	2.1
79.05502	1.3
81.03418	2.5
81.07025	3.0
82.99852	2.2
84.04470	1.1
84.08131	2.2
85.02896	4.4
95.04924	0.9
97.02876	2.4
98.97588	1.7
101.00871	22.0
102.00934	1.1
103.00617	1.3
103.02429	1.3
113.00852	1.9
115.02424	12.3
116.98665	1.5
117.03953	1.9
119.01904	100.0
120.02005	2.7
121.01644	4.2
121.03485	1.5
126.98759	1.4
127.02348	1.0
127.03933	1.6
128.98627	1.4
129.03964	4.9
130.05016	1.0
131.01891	10.5
131.03505	1.0
133.01659	3.7
133.03453	22.4
135.05188	1.2
137.02943	34.1
138.02992	1.6
139.93256	0.9
142.03503	5.7
143.01857	9.3
144.98042	1.1
144.99797	4.0
145.01614	1.5
145.03426	10.2
146.99591	2.2
147.01346	1.3
147.05013	6.0
149.02954	3.4
151.04507	4.2
155.01869	8.0
156.05035	1.7
157.01613	4.5
157.03459	8.0
159.01395	2.2
159.05069	2.7
159.40450	1.0
160.04488	1.2
161.02948	25.1
163.02705	2.9
163.04526	3.3
165.00639	1.1
168.06546	1.0
168.99782	8.9
171.01360	1.6
173.02942	16.5
174.03072	1.6
175.02731	9.7
175.04535	4.5
177.02419	11.2
184.04486	1.9
185.02939	4.0
187.00880	23.4
187.02592	1.8
187.04483	2.6
189.02434	3.3
191.04012	4.1
196.99316	5.5
197.02994	1.9
198.04367	1.8
199.04338	1.0
200.04071	1.2
201.02394	2.3
203.02336	1.1
203.03966	4.7
205.01932	12.3
205.05510	1.3
207.03467	1.1
208.99631	2.7
210.02466	1.4
214.98357	1.7
215.00337	28.3
216.00516	1.8
217.01874	1.9
217.05582	2.8
219.03523	11.0
221.05045	5.6
227.03976	1.2
229.01883	11.0
229.12219	1.5
232.99364	1.2
233.01404	3.6
235.06616	1.5
238.01924	2.8
239.06087	2.8
245.05052	2.6
247.02933	53.4
247.06795	3.2
247.13179	1.0
248.03177	2.4
253.07832	1.1
265.04086	12.0
265.07346	5.0
270.04468	5.1
275.20078	1.1
277.07599	4.8
289.04114	7.0
289.08493	1.0
307.04941	5.9
307.09103	9.8
307.16058	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
70.40962	1.1
70.41337	0.7
81.07037	0.6
84.15953	0.4
98.98431	0.4
101.00862	0.9
102.79477	0.3
105.07035	0.4
117.99393	0.3
119.01899	6.3
134.99841	0.6
137.02950	2.3
177.00937	16.9
178.01051	0.8
182.99916	0.9
200.02483	0.5
217.04083	2.1
219.01981	24.8
220.02054	1.7
221.01764	1.4
225.00787	2.5
230.33446	0.4
232.02078	0.5
232.89861	0.5
240.05734	0.5
242.03503	0.6
243.01949	7.0
258.06738	1.2
261.03040	100.0
262.03226	5.6
266.03708	0.5
284.01987	0.5
284.04718	7.3
285.04834	0.5
302.03653	0.5
302.05539	1.5
305.08521	0.4
322.52112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81129	5.1
53.67032	5.2
56.96547	10.9
69.03416	6.4
69.53853	21.2
69.54284	22.4
71.05013	4.9
83.04942	5.1
84.08124	5.8
85.02885	10.8
91.32049	4.6
93.29612	4.7
97.02892	8.2
98.87810	5.5
98.97567	9.4
101.00873	29.3
103.02442	5.7
103.72107	5.1
105.86169	6.1
113.00895	5.8
114.05573	6.0
115.02402	8.6
116.98614	7.9
119.01913	82.0
121.01648	6.2
131.01917	25.1
133.03485	25.9
134.99692	5.1
137.02943	18.6
143.01845	16.2
145.01604	5.9
145.03416	29.6
148.53311	5.4
149.02908	5.3
149.06065	5.8
155.01898	23.2
157.03455	16.2
159.05034	6.0
161.02913	29.2
163.02710	6.2
163.04541	15.0
173.02942	35.7
175.02681	15.3
175.04475	13.5
181.05515	11.6
185.02968	10.1
187.00917	10.0
187.02695	7.1
187.04425	10.9
191.03978	8.5
197.02861	6.4
199.04514	6.8
203.04089	7.6
205.02020	7.7
205.05556	13.7
215.00307	17.5
217.05557	17.6
221.05031	13.3
229.01831	8.5
247.02925	24.0
247.06667	16.1
265.07797	11.7
277.07706	7.3
307.08124	100.0
307.16287	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	307.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66891	1.2
53.03940	2.6
55.01864	4.1
55.05503	1.8
56.96553	60.9
57.03421	8.9
60.04503	1.5
60.59130	1.3
61.02914	9.4
65.03943	1.7
67.05495	4.1
69.03417	22.7
70.06580	2.3
70.40721	6.0
70.98095	2.3
71.04991	3.4
71.95258	1.9
72.08148	2.0
73.02906	8.6
74.97585	1.4
79.05478	6.2
81.03400	14.5
81.07053	4.4
82.03736	2.1
83.04971	7.6
84.04507	2.0
84.08119	2.8
84.96012	12.4
85.02890	32.0
85.06551	3.5
86.03245	2.0
87.04456	4.7
88.99141	2.2
91.03963	2.0
91.05456	6.3
93.07028	4.3
95.04938	3.1
96.04475	1.1
97.01467	1.3
97.02874	24.5
97.96809	1.3
98.97565	100.0
99.04440	5.1
99.97861	1.4
100.99130	8.9
101.00876	11.8
101.02382	1.5
102.97064	2.0
103.00635	2.0
103.02426	3.1
107.04966	3.8
107.08593	3.7
109.02872	4.4
109.06516	2.4
110.03138	1.4
110.97546	21.0
111.04424	4.4
112.99119	4.9
113.00853	3.6
114.05557	1.6
115.00626	1.4
115.02428	5.2
116.07086	2.5
116.98604	53.8
119.00195	6.3
119.01896	39.0
119.08585	2.2
120.02128	1.6
121.01665	5.9
121.03478	2.4
123.04365	3.3
123.07999	1.4
124.99067	2.4
127.02435	1.5
127.03896	7.0
128.98584	31.8
131.00162	8.9
131.01866	16.7
133.01682	5.9
133.03441	16.0
133.05157	2.2
134.03546	1.5
134.99631	19.8
135.03207	2.2
135.04297	1.5
137.02902	6.7
137.06033	1.8
137.09518	1.6
138.69797	1.4
139.02444	1.6
139.04063	1.4
140.00209	1.6
140.98570	3.2
143.00182	10.9
143.01848	12.9
144.98079	3.7
145.01700	11.5
145.03442	17.6
145.04955	4.7
146.03491	1.8
146.99628	25.6
147.01355	2.4
147.03195	4.0
147.05019	3.9
149.01224	5.8
149.02885	4.2
151.06271	6.2
152.98566	7.5
153.05569	1.9
155.01845	9.2
155.10716	1.4
156.02617	2.9
157.01625	6.2
157.03450	13.2
158.99638	19.2
159.03146	2.2
159.04944	6.7
161.01228	12.9
161.02943	19.8
162.99133	5.1
163.02760	28.6
163.04431	6.4
163.06395	3.2
165.00732	7.4
165.05467	2.0
168.03432	2.9
169.04399	2.9
170.05112	1.9
170.99625	16.0
171.05049	8.3
171.81888	1.3
172.05154	1.5
173.01262	4.7
173.02965	14.8
175.02762	8.2
175.04518	11.0
175.06261	3.6
177.00694	21.0
177.02283	3.0
177.04141	5.4
177.06023	3.2
178.04901	4.0
179.02275	3.0
179.07422	1.5
181.03708	12.2
181.05055	1.6
182.99606	2.6
183.01743	1.4
185.01347	1.4
185.03006	4.1
187.00862	4.6
187.02765	4.6
187.04517	7.7
187.06343	4.0
189.00681	13.3
189.02333	2.1
189.06117	2.8
190.98630	2.4
191.02269	3.3
191.03929	4.4
191.05637	1.9
192.04591	1.9
193.03816	2.6
195.01700	3.8
198.04630	3.0
199.04500	3.7
201.00720	6.4
201.02351	1.7
201.04123	3.3
201.06006	3.2
203.02261	2.1
203.04013	6.6
205.00403	2.5
205.01973	3.2
205.03751	11.0
205.05582	4.7
205.07515	4.5
207.01765	1.6
207.05220	4.4
210.04576	3.1
211.04607	2.0
215.00319	6.2
217.03754	3.2
217.05476	5.2
217.07434	9.9
219.01733	34.1
219.05257	5.3
221.05035	20.6
223.04727	8.4
226.05901	2.0
229.01909	2.1
229.05531	1.9
231.07138	3.0
237.02788	64.4
238.03232	1.4
245.05058	5.8
247.02757	8.2
247.04781	6.9
247.06970	15.8
251.04552	3.7
255.03885	5.7
259.06656	4.6
260.04346	2.6
261.02786	2.4
261.08255	5.5
265.05554	48.9
265.08127	10.8
269.05356	1.7
279.04059	2.6
279.09308	8.4
283.06961	16.1
285.07037	1.4
289.03918	2.6
293.05359	6.6
295.07016	1.5
305.10629	2.5
307.07364	65.4
307.10657	8.3
308.07275	2.0
319.08685	2.3
321.10358	2.0
325.08041	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	307.168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.6
55.05504	0.6
56.05017	2.5
58.06590	4.2
69.03424	0.9
71.07871	1.0
71.08221	1.1
79.05447	0.9
81.03396	0.9
81.07069	0.8
84.03996	1.3
84.04493	22.9
84.08129	100.0
85.02877	0.7
85.08458	1.4
86.06057	7.2
86.09708	6.3
88.03985	2.3
88.68970	0.6
91.05463	1.0
106.53893	0.7
107.08531	0.6
120.61857	0.6
127.03888	1.4
130.08632	2.4
141.13853	8.5
144.10213	1.1
145.72479	0.7
146.06047	1.2
159.11668	0.6
169.13353	8.3
170.90765	0.6
198.11198	0.7
201.12779	0.6
215.13885	40.2
216.14246	0.9
241.55597	0.7
243.17020	51.6
244.17274	0.8
247.13795	0.7
262.11130	2.8
296.36224	0.6
307.16846	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	307.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41698	2.2
55.01865	17.3
55.05495	14.4
57.03416	6.7
57.07071	3.1
65.03919	2.6
67.05489	28.8
69.03416	17.0
69.07050	11.6
70.06580	5.4
71.01331	6.2
71.04986	26.2
71.61990	5.5
72.84650	2.9
74.06065	13.7
75.06386	4.3
79.05475	39.8
81.03397	20.1
81.07040	27.6
83.04963	15.5
83.08584	8.2
84.08117	4.2
85.02887	41.6
85.06525	20.7
86.09679	4.4
87.04452	4.0
91.05457	24.9
93.07024	28.4
95.01299	5.8
95.04948	22.0
95.08603	16.4
97.02873	8.1
97.06493	8.0
98.98466	4.0
99.04425	11.5
99.08078	4.7
103.03935	9.7
105.07009	18.5
107.04949	37.6
107.08571	26.2
109.02855	9.8
109.06462	7.7
109.10148	6.2
110.06019	3.3
111.04405	9.8
111.08047	6.0
113.02330	10.2
115.03902	2.6
115.05391	2.8
116.07050	7.2
117.07005	8.4
118.42771	2.6
119.04906	3.3
119.08571	11.7
120.55481	2.4
121.06490	13.6
121.10113	12.5
121.84179	2.7
123.04416	27.0
123.08045	6.7
125.09600	26.3
127.03880	18.5
128.00783	5.5
129.05452	4.4
129.06953	9.0
131.04910	3.1
131.08530	10.3
133.06470	11.5
133.10123	12.5
135.04404	13.4
135.08017	7.0
135.11687	3.8
136.06158	6.6
137.05957	6.5
137.09601	3.6
139.11165	3.6
141.05469	5.5
143.08566	7.1
145.04961	21.1
145.06677	2.5
145.10066	7.6
147.04378	15.8
147.07994	5.1
147.11655	7.8
149.09595	29.4
151.07545	3.3
153.05443	12.8
155.07053	7.9
155.08466	3.4
157.06445	2.9
157.10103	10.0
159.07973	3.6
159.11664	3.4
161.05986	5.3
163.03900	14.1
164.07170	3.0
165.05470	34.0
167.07074	4.5
167.10686	3.6
171.11665	11.1
175.07542	4.4
175.11203	6.9
176.58217	2.7
189.09012	3.4
189.12691	13.1
193.12172	4.6
199.11061	4.0
201.12654	4.0
207.13759	7.7
217.12148	20.9
218.10362	2.4
226.40732	2.5
229.12317	6.0
235.13254	100.0
236.13589	2.7
253.14308	42.1
271.15460	6.6
289.11597	7.0
289.15454	2.8
307.08231	3.0
307.12573	10.9
307.16632	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	307.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.1
55.01859	13.8
55.05494	12.0
57.03414	7.9
57.07059	4.1
65.03930	2.9
65.30994	2.4
67.05487	27.8
68.99781	2.6
69.03426	19.2
69.07048	10.9
70.06569	8.3
71.01338	5.8
71.04984	29.5
71.10666	6.2
72.08137	6.5
73.96677	2.8
74.06067	4.9
79.05483	37.6
81.03393	21.8
81.07046	33.1
83.04969	12.1
83.08607	6.9
84.04475	5.5
84.08107	5.3
85.02898	47.2
85.06535	22.3
86.09691	5.5
87.04468	4.6
91.05463	24.8
92.81411	2.6
93.07039	28.8
94.06561	3.7
95.01334	4.6
95.04951	22.7
95.08594	17.5
97.02876	8.1
97.06498	7.3
98.98476	3.9
99.04431	11.6
99.08073	6.6
101.27957	2.7
103.03918	7.2
105.07012	23.0
107.04953	35.3
107.08584	24.5
108.08141	3.2
109.02872	9.7
109.06483	14.5
109.10139	11.5
110.06029	3.9
111.04410	7.8
111.08030	4.7
113.02357	11.2
113.05971	3.9
116.06988	3.4
117.06987	8.1
119.04919	4.0
119.08572	12.2
121.06483	17.5
121.10156	12.4
122.05987	6.4
123.04409	23.6
123.08067	6.4
124.07597	6.0
125.05962	4.4
125.09608	34.3
127.03880	16.7
127.07538	5.6
128.06232	4.3
129.05420	3.3
129.06990	9.8
131.08575	16.1
133.06464	10.5
133.10078	8.8
135.04399	12.8
135.08047	9.6
137.05934	8.6
137.09552	4.0
139.03845	3.4
139.11182	4.1
141.05440	5.6
142.07722	3.3
143.08516	7.4
145.04932	19.5
145.06430	4.1
145.08575	8.1
145.10063	5.4
146.05988	11.1
147.04387	24.6
147.08020	8.7
147.11636	10.2
149.09592	24.6
151.07520	5.6
153.05489	14.0
153.06537	2.7
155.07051	7.9
157.10103	12.4
159.11604	3.2
161.05952	7.3
161.13252	2.6
163.03894	8.5
164.07034	7.1
165.05467	34.1
165.12703	3.3
166.04927	4.2
171.11620	9.6
173.09589	3.1
175.11131	6.5
179.06944	5.9
183.10107	2.8
183.11577	4.3
187.87779	2.6
189.12706	10.3
193.12227	9.4
199.11069	5.5
201.12630	3.8
203.08371	2.6
207.13789	9.4
215.11768	2.6
217.12169	22.9
228.08644	2.9
229.12273	7.0
231.10071	2.8
232.03471	3.0
235.13255	100.0
236.13490	3.6
243.11234	8.9
247.13254	4.5
253.09779	3.3
253.14296	45.5
253.16719	4.9
261.12177	3.1
271.10724	23.4
271.15338	7.2
275.20013	4.6
289.11786	20.6
289.16275	4.5
307.08182	4.7
307.12775	16.4
307.16733	12.4
308.14920	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	307.1898
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
50.07791	5.0
53.03927	8.0
55.01857	17.9
55.05498	52.8
57.03427	35.4
57.07082	6.8
61.61249	4.6
61.69606	4.7
67.05499	66.6
69.03418	15.6
69.07049	22.1
69.64584	22.8
69.65018	22.0
79.05479	55.7
81.03407	14.9
81.07041	67.0
83.04967	11.6
83.08608	30.1
91.05469	48.4
93.07030	37.4
95.04968	25.2
95.08559	29.4
97.06522	11.9
97.10154	43.9
105.07029	35.0
107.04953	30.4
107.08572	44.7
109.06506	23.6
109.10130	12.9
111.08083	6.2
115.05408	6.6
117.06997	19.4
119.08565	39.2
121.02850	9.8
121.06474	16.5
121.10101	12.0
123.08024	5.4
123.11683	5.8
125.09611	35.2
125.10372	5.4
128.06238	9.9
129.07001	14.4
131.08566	23.7
133.06509	12.4
133.10117	13.7
135.08014	22.7
137.05972	7.5
137.09628	12.5
143.08551	13.8
145.06413	8.8
145.10088	19.0
147.08020	11.4
149.09709	7.3
153.09099	10.4
155.08499	9.0
157.10118	15.3
159.08020	48.7
159.11714	14.9
161.09579	8.9
163.03853	28.0
163.07549	8.4
163.11151	7.3
165.07077	5.2
168.09572	5.0
169.10097	11.1
173.09631	7.2
173.13202	6.9
179.08591	7.7
183.11668	10.5
187.14792	12.2
189.11156	13.2
195.11696	11.1
197.13208	8.3
205.12273	5.8
215.14313	12.8
223.14801	7.1
229.12212	12.0
233.13322	10.1
233.15387	23.2
243.17487	7.3
251.14554	6.1
253.15810	6.6
271.16885	31.6
275.20041	18.8
282.46271	6.5
289.17874	100.0
307.09482	10.9
307.20282	32.2
321.64258	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	307.1898
Annotation	Corrin
Peak:m/z	Relative Intensity
51.02375	2.6
53.03933	6.3
55.01864	29.9
55.05501	33.4
57.03426	23.3
57.07056	4.4
59.04984	3.7
65.03899	3.5
67.05490	53.7
69.03406	6.0
69.07067	27.0
71.04981	5.5
75.76081	2.6
76.12719	2.7
79.05478	65.9
81.03404	5.3
81.07043	56.1
83.04967	24.1
83.08595	11.5
85.06508	6.2
91.05457	49.7
93.07027	47.8
95.04954	20.4
95.08588	34.7
95.58566	2.3
97.06515	36.7
97.10171	13.9
98.20692	7.4
99.04399	2.8
99.08107	3.5
99.85459	2.9
105.07008	52.5
107.04931	34.5
107.08571	58.0
109.06496	21.7
109.10134	13.6
111.04427	12.4
111.08044	5.3
115.05386	4.9
116.93052	2.3
117.07021	13.8
119.04974	2.6
119.08553	34.4
121.06490	11.6
121.10134	19.0
123.08044	11.2
123.11642	4.0
125.05911	2.8
125.09609	12.3
128.06163	2.5
129.06967	6.2
130.07921	3.2
131.08556	25.7
133.06482	4.5
133.10110	24.3
135.04395	57.6
135.08035	15.1
135.11635	12.4
137.05962	36.8
137.09589	10.5
138.06256	18.1
143.08502	6.1
145.06471	5.9
145.10112	24.4
147.08003	8.0
147.11650	17.7
149.09579	28.4
149.13234	5.1
151.11156	7.9
155.08537	3.9
157.10115	3.8
159.07999	6.3
159.11681	15.7
161.09642	4.2
161.13240	5.5
163.11134	15.5
165.06975	5.4
165.09103	6.3
165.12733	5.6
166.13081	4.4
169.10034	6.8
171.11656	5.4
173.13196	8.1
175.11162	2.6
177.12755	9.0
178.07710	4.0
183.11678	5.2
185.05945	24.9
187.11104	3.2
187.14830	4.3
189.06915	4.8
189.12805	3.7
189.16302	2.7
190.07727	8.4
191.08513	26.7
197.13300	4.6
201.12804	2.6
202.07831	4.0
203.08519	12.7
203.12782	9.4
205.15820	6.5
209.05859	3.1
211.14798	3.2
215.14287	4.2
215.18060	2.7
219.08008	51.0
223.07541	2.8
224.74054	2.6
229.19521	3.0
231.08026	6.1
233.15356	12.7
239.17908	5.8
243.17468	5.3
247.07526	20.8
247.20563	9.5
249.09056	65.9
250.09398	3.1
251.94199	3.1
257.18903	11.9
259.07541	6.1
261.18469	7.4
262.06174	22.0
263.06583	3.3
266.05731	3.8
271.16992	6.0
275.20013	100.0
276.07721	3.9
276.20389	2.8
277.08566	84.7
278.08865	6.6
279.06531	13.5
289.08527	11.5
289.17932	14.5
289.21429	7.1
290.21979	5.6
292.07135	7.7
307.09616	70.4
307.22601	29.3
308.09814	7.2
319.42703	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	307.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.6
53.03931	10.7
55.01864	24.6
55.05503	47.5
55.59901	1.8
57.03418	9.0
65.03931	3.5
67.05496	57.8
69.03413	4.9
69.07055	28.3
70.23096	8.3
71.04993	5.3
79.05482	59.8
81.03414	14.2
81.07043	83.8
83.04961	15.2
83.08607	27.7
85.06525	3.9
91.05468	45.8
93.06441	3.0
93.07027	50.9
95.04946	22.3
95.08592	39.7
97.06520	28.2
97.10143	17.7
105.07006	49.7
107.04935	30.4
107.08578	72.5
108.08905	3.2
109.06503	26.3
109.10129	16.7
111.04418	6.0
111.08047	6.4
117.06992	13.5
119.08553	34.2
121.02852	4.1
121.06490	13.1
121.10114	27.4
123.04469	3.3
123.08035	8.4
123.11703	4.0
125.09602	23.7
129.06995	5.9
130.07774	2.4
131.08560	24.3
133.06454	3.2
133.10120	23.5
135.08026	17.2
135.11670	14.2
137.09592	7.8
139.11198	1.9
141.07007	2.0
142.07832	2.3
143.08545	8.0
145.06514	2.5
145.10072	24.5
147.08037	3.3
147.11676	21.5
149.09584	23.2
149.13257	6.8
151.11154	9.4
153.09088	5.9
155.00986	2.6
155.08548	4.6
157.10118	8.2
159.08051	3.7
159.11644	16.4
161.09641	2.4
161.13226	7.6
163.03870	3.8
163.07516	7.5
163.11143	16.2
165.09134	4.2
165.12740	6.5
169.10106	6.9
171.11678	4.2
173.09595	5.2
173.13271	8.1
174.60284	2.6
175.11107	4.0
177.09053	2.4
177.12712	5.8
181.11990	2.2
185.13113	2.1
187.11087	4.6
187.14803	3.1
189.12766	3.6
193.12289	3.4
197.13185	2.9
201.12683	4.4
203.12758	13.3
211.14738	2.6
215.14323	3.4
219.13770	5.4
229.19443	4.7
233.15402	4.2
233.18681	3.3
233.61646	2.2
239.17807	9.5
247.20532	10.4
257.18924	16.1
261.18414	2.2
271.16962	3.0
275.20010	100.0
276.20404	6.4
289.17929	14.3
289.21539	7.3
307.19061	8.0
307.22742	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2262
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03919	2.6
54.30273	1.2
55.01867	3.3
55.05503	17.4
56.11295	1.3
57.03405	1.7
57.07060	2.2
59.04972	3.1
65.03908	2.6
67.05495	31.6
68.05815	1.6
69.03405	4.4
69.07058	14.6
70.66975	4.1
71.04986	11.9
73.06524	2.2
79.05484	29.6
81.03387	5.3
81.07043	31.0
83.04963	4.0
83.08626	6.5
85.06501	4.2
87.08062	1.9
91.05460	40.5
92.93147	1.1
93.07034	29.9
95.04959	7.7
95.08590	19.8
97.02838	2.4
97.06525	11.8
97.10120	3.6
99.08025	1.5
103.05471	2.2
105.06334	2.4
105.07013	44.6
107.04934	3.4
107.08575	18.9
108.05759	1.2
109.06503	19.1
109.10135	13.0
111.04374	1.5
111.08055	4.8
117.03342	2.0
117.07005	13.1
119.08559	35.3
121.02851	8.8
121.06501	8.6
121.10127	12.2
123.08059	13.1
123.11704	1.9
125.09588	4.6
129.06964	2.1
130.07689	1.4
131.08531	12.4
133.10110	27.8
135.04446	7.4
135.08029	10.0
135.11699	5.9
137.09579	10.6
139.11166	3.0
141.06946	1.8
143.08487	2.5
145.02815	2.6
145.10098	11.7
147.08029	2.4
147.11673	22.7
147.12794	0.9
149.09595	7.0
149.13202	3.4
150.94666	1.3
151.11160	17.9
153.09097	2.4
155.08484	2.9
157.10120	3.5
159.07953	2.1
159.11676	9.8
161.09515	1.8
161.13280	6.3
163.03880	18.2
163.07477	1.5
163.11171	12.8
165.12733	10.2
169.10104	4.3
171.11621	3.0
173.09554	1.5
173.13234	7.6
177.12711	4.2
179.14281	4.6
183.11681	4.9
187.11179	2.0
187.14774	1.7
189.12645	2.1
191.14165	1.8
195.11699	2.2
197.13208	5.3
201.12686	1.6
209.13232	1.3
210.22720	1.2
211.14804	1.6
213.05403	2.2
215.14200	1.7
215.17857	1.4
219.07990	1.9
219.13803	1.5
220.91757	1.7
229.19514	6.6
233.15250	1.9
239.17960	8.8
247.20558	4.1
249.18512	2.5
257.18945	11.4
275.20020	54.8
275.23010	2.7
275.59659	1.3
276.20352	3.9
277.08408	2.2
289.08698	2.0
289.18100	3.9
289.21622	3.0
307.09827	8.6
307.22620	100.0
308.22949	4.1
317.83432	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.01863	18.1
55.05503	39.6
57.03434	2.5
67.05493	57.8
69.03435	2.9
69.07056	26.2
71.31133	2.8
71.31481	5.6
79.05479	65.6
81.03396	10.0
81.07043	62.1
83.04974	10.2
83.08607	22.2
85.06516	5.6
91.05465	42.2
93.07035	46.6
95.04953	15.3
95.08595	40.4
95.31052	2.9
97.06521	26.1
97.10158	26.5
103.05450	3.1
105.07012	39.5
107.04936	21.1
107.08578	73.7
108.08919	2.9
109.06477	15.9
109.10147	18.6
111.08088	7.1
113.13252	2.5
115.05429	3.9
116.06129	2.5
117.06992	14.4
119.08556	30.9
121.02885	3.0
121.06487	7.2
121.10128	21.3
123.08050	9.3
125.09615	29.4
129.07025	4.9
131.08553	20.7
133.10081	22.5
134.48413	2.4
135.08043	19.5
135.11649	10.0
137.09595	5.3
139.07442	2.8
139.11176	5.6
143.08578	4.1
145.06447	4.3
145.10123	22.3
147.08015	2.8
147.11638	13.5
149.09602	25.0
149.13290	6.1
151.11148	7.4
153.09109	4.8
155.10612	2.8
157.10065	3.6
159.11652	12.9
161.09576	4.6
161.13202	8.2
163.03870	3.2
163.11165	16.1
165.09135	4.2
165.12727	3.6
171.11711	5.8
173.09618	4.0
173.13194	9.4
175.11108	3.9
177.12695	4.9
183.11603	5.5
197.13254	3.5
201.12691	4.7
203.12726	18.4
204.10376	2.7
223.14606	3.4
229.19489	5.8
233.15390	3.7
239.17935	8.1
247.20535	8.9
257.19012	16.4
275.20038	100.0
275.23035	5.6
276.20279	7.0
289.18225	3.4
289.21527	6.4
307.22614	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2261
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03922	5.0
55.01861	11.9
55.05504	29.4
57.03417	5.8
57.07054	3.2
59.04976	2.4
65.03928	4.6
67.05136	3.3
67.05493	65.8
69.03400	3.0
69.07055	30.8
70.42307	6.9
71.04980	5.5
73.06516	2.1
79.05476	45.2
80.05827	2.1
81.03412	8.1
81.07042	91.3
83.04959	8.8
83.08608	17.6
85.06520	4.9
91.05463	44.0
93.07026	46.9
93.07529	1.2
95.04954	43.3
95.08591	49.2
95.09198	2.6
97.06525	17.3
97.10139	7.1
98.06040	3.8
99.08074	2.9
103.05404	1.6
105.07014	55.3
107.04922	8.4
107.08578	32.5
109.06500	22.5
109.10136	23.6
111.08070	5.2
115.05461	2.7
117.06978	15.1
119.08563	52.1
121.06467	8.3
121.10130	24.0
123.08048	21.3
123.11705	8.2
125.09602	4.3
129.06999	5.1
130.07710	1.9
131.08556	24.5
133.06546	1.7
133.10114	34.9
135.08017	11.4
135.11673	10.8
137.05989	1.6
137.09579	16.5
138.06233	2.0
139.11247	1.7
143.08528	7.0
145.10083	20.4
147.08026	3.2
147.11656	27.6
149.09563	12.7
149.13249	5.0
151.11156	8.9
155.08536	3.1
157.10103	4.9
159.11661	16.2
161.09570	2.3
161.13223	6.5
163.11195	9.0
165.12737	6.3
169.10077	3.5
171.11682	5.6
173.09572	2.4
173.13226	14.4
175.11121	5.4
175.14787	2.1
177.12672	5.2
183.11673	5.8
185.13263	6.1
187.11195	2.0
187.14854	3.0
189.12717	2.8
191.14232	2.3
195.15509	1.6
197.13246	5.1
199.14830	2.2
201.12671	4.3
203.14340	2.9
205.15709	2.5
207.13844	3.4
211.14839	3.2
219.13908	2.5
219.17390	10.9
229.19449	5.7
233.15233	2.9
233.19022	2.2
235.16931	2.2
237.16385	3.0
239.17981	4.3
247.20558	10.7
257.18985	14.9
273.11722	1.6
275.20023	100.0
276.20413	5.7
289.21591	10.0
307.22513	36.8
307.28049	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	307.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	6.5
55.01863	23.9
55.05500	29.8
57.03434	10.3
57.07049	3.2
59.04976	3.0
60.23811	1.6
65.03923	4.0
67.05496	43.0
67.72305	1.9
69.03415	5.3
69.07050	24.8
69.45143	20.3
71.04975	3.0
79.05482	43.8
81.03413	11.1
81.07044	50.5
83.04980	16.2
83.08593	11.1
85.06503	3.9
85.10180	2.0
91.05465	33.0
93.07025	39.6
95.04938	15.1
95.08594	28.2
97.06509	30.8
97.10145	12.6
98.21432	3.6
99.08080	2.9
103.05464	2.3
105.07014	41.0
107.04935	20.9
107.07913	3.4
107.08578	53.1
109.06504	13.8
109.10125	14.9
111.04428	6.1
111.08044	3.4
117.07002	13.1
119.08565	25.5
121.06473	9.6
121.10120	17.6
123.08053	9.4
123.11678	6.2
125.09628	16.7
128.06194	3.4
129.07016	4.5
131.08537	17.8
133.06493	4.5
133.10123	24.9
135.04391	20.0
135.08012	13.8
135.11679	13.0
137.05975	20.3
137.09607	5.6
138.06291	15.5
139.11133	2.5
143.08511	3.4
145.06418	3.3
145.10106	19.6
147.08069	2.8
147.11652	15.1
149.09605	25.3
149.13219	4.9
151.11131	9.5
153.07101	2.5
153.09055	2.3
155.08543	4.5
157.10068	5.1
159.08067	3.9
159.11690	13.8
161.09566	3.2
161.13232	6.0
163.03886	2.9
163.11180	10.2
165.09064	5.6
165.12769	3.3
166.13025	6.1
166.30595	1.9
169.10089	2.4
171.11702	5.1
173.13237	6.2
175.11180	3.6
177.12695	9.9
182.37663	1.9
183.11606	4.9
185.05966	10.0
185.13423	2.2
187.11147	5.0
189.12714	4.6
191.08502	7.8
191.14229	2.1
197.13126	2.9
201.12590	1.9
203.12759	8.4
205.12137	2.8
206.07251	2.1
219.08000	13.5
229.19524	4.2
231.07954	2.4
233.15273	5.5
234.06647	2.3
239.17868	8.4
247.07506	4.9
247.20583	9.0
249.09007	20.2
257.18954	12.4
262.06155	4.9
271.16901	2.4
275.20013	100.0
276.20404	2.6
277.08585	23.1
289.17944	5.0
289.21521	5.9
290.21924	4.7
292.07431	2.4
307.09634	18.8
307.22583	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	307.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.5
55.01870	26.9
55.05505	29.7
57.03438	3.8
57.07064	5.9
57.33002	3.1
59.05011	3.7
67.05497	46.1
69.03421	3.7
69.07064	27.5
69.54314	28.8
71.04987	6.5
79.05489	52.3
81.03402	10.7
81.06598	5.4
81.07049	61.7
83.04971	7.7
83.08639	16.0
85.06538	3.9
87.83936	2.9
88.40967	3.1
91.05474	49.2
93.07032	52.0
95.04963	24.5
95.08600	35.2
97.06524	34.8
97.10176	15.1
98.20689	4.0
99.06039	3.1
105.07023	51.8
107.04948	20.4
107.08585	66.4
109.02794	3.1
109.06515	19.1
109.10156	16.1
117.07005	20.2
119.08571	31.3
121.02872	7.5
121.06496	11.6
121.10132	20.1
123.08047	9.9
123.11724	5.8
124.46032	2.8
125.09629	20.9
129.07014	8.7
130.07761	3.1
131.08548	24.2
133.06511	3.8
133.10103	30.1
135.04401	7.3
135.08046	15.4
135.11664	15.1
137.05954	31.3
137.09578	7.1
138.06291	25.4
143.08537	10.0
145.06432	2.8
145.10109	28.6
147.08061	4.4
147.11699	18.7
149.09651	20.4
149.13194	6.6
151.11206	9.8
153.09134	3.6
153.12857	3.0
154.07756	3.2
155.08430	4.6
157.10147	10.9
159.08034	3.3
159.11667	17.3
161.09602	4.8
161.13246	6.2
163.03882	9.9
163.11150	8.6
165.09106	5.4
165.12717	4.0
168.09367	2.8
169.10094	6.4
171.11687	8.3
173.09608	3.1
173.13248	13.5
175.11079	3.7
177.12761	6.7
179.08580	4.9
180.09183	5.0
181.10080	7.0
183.11702	8.1
185.09589	3.3
185.13162	6.9
187.11217	4.4
187.14847	7.7
193.10126	4.6
195.11780	6.8
197.13194	5.6
201.12848	3.5
203.12770	10.2
207.11752	6.7
208.12407	3.5
209.13228	8.5
211.14742	4.5
218.11020	3.5
219.11678	5.4
221.13228	5.2
223.14830	7.4
229.19376	6.4
233.13278	3.7
234.13872	3.6
235.14813	3.4
237.16335	4.4
239.17963	5.7
247.20529	11.4
249.16418	14.9
251.14346	3.7
257.18903	12.5
263.17899	3.8
275.20035	100.0
289.21658	9.8
307.19943	29.4
307.23291	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	307.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46000	1.8
52.59509	1.9
53.03937	5.3
53.22537	1.8
55.01864	29.3
55.05502	41.4
57.03413	2.7
59.04964	2.3
61.64262	2.0
65.03921	2.5
67.05490	50.0
68.35767	1.7
69.03395	3.5
69.07060	25.4
69.45412	18.4
71.04968	4.3
79.05481	63.3
80.75825	1.9
81.02994	1.9
81.03403	8.0
81.07043	50.1
83.04974	6.3
83.08594	15.8
91.05467	38.9
93.06430	3.1
93.07026	49.0
93.07588	3.6
95.04951	15.1
95.08591	28.7
97.06516	28.7
97.10146	19.6
103.05467	2.4
105.07009	46.9
107.04944	17.5
107.08575	84.2
108.08911	2.2
109.06519	10.5
109.10132	13.7
111.08051	5.5
115.05479	2.4
117.06998	16.6
119.08552	27.8
120.97996	1.9
121.06478	5.6
121.10137	16.3
123.08070	5.6
123.11675	5.4
125.09617	26.0
129.07004	6.1
131.08565	18.4
133.10095	26.5
135.07166	2.3
135.08018	12.2
135.11664	9.0
137.09610	4.8
143.08519	2.4
145.10103	20.1
147.11655	16.7
149.09604	30.8
149.13229	4.1
151.11188	9.2
153.09116	5.1
157.10097	3.9
157.12274	2.8
159.08246	1.9
159.11642	13.3
161.09550	3.1
161.13239	6.1
163.11203	10.6
163.95151	2.0
165.09131	4.0
169.10168	3.3
173.13258	8.6
175.11316	2.9
177.12685	4.1
183.11685	3.6
187.11176	4.5
191.14308	2.3
197.13242	3.1
201.12787	2.3
203.12756	16.5
208.84993	2.3
215.17934	2.5
219.13780	2.2
229.19470	6.1
233.24806	2.1
239.17947	4.6
247.20522	10.9
257.19022	16.1
275.20004	100.0
276.20291	4.6
288.58368	2.1
289.21698	7.9
307.22675	23.4
307.28214	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	307.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.0
55.01849	2.5
55.05500	25.7
57.03422	6.5
57.07065	9.7
65.03941	2.6
67.05494	84.8
69.03419	11.9
69.07055	44.7
69.68262	5.5
69.68668	16.5
71.04987	15.1
71.08616	2.9
74.06039	2.1
75.57724	2.2
77.03882	3.0
78.07344	2.2
79.05483	44.6
81.03405	8.8
81.07045	100.0
83.04958	7.1
83.08617	20.1
85.02904	5.0
85.06522	14.7
87.04473	2.4
89.03899	2.8
91.05473	29.9
93.07027	44.9
95.04943	9.1
95.08598	52.7
97.02876	4.2
97.06498	14.1
97.10169	8.5
98.20754	2.3
101.05996	8.3
105.07014	23.3
107.04939	3.2
107.08570	24.3
109.02870	4.3
109.06464	5.4
109.10144	26.0
111.08069	5.9
113.05989	3.7
115.07522	2.3
117.03332	5.0
119.08553	20.3
121.10115	30.5
123.08031	4.7
123.11694	10.6
127.03848	3.2
127.07528	4.5
131.08527	3.6
133.10120	20.2
135.04401	11.6
135.11679	25.4
137.09590	2.6
137.13255	6.3
142.86864	2.4
143.08507	2.4
145.02803	8.2
147.11671	14.7
149.13190	13.9
151.11110	3.4
159.07890	3.0
161.13200	10.8
163.03886	54.2
164.07002	2.5
173.13348	2.1
175.14796	4.6
217.19472	19.6
230.07982	2.6
235.20480	13.6
253.21622	24.9
261.52563	2.5
264.07770	2.3
271.22644	2.9
307.08435	7.1
307.19006	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	307.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08158	2.9
53.03926	3.5
55.01868	4.0
55.05500	28.7
57.03404	6.2
57.07058	9.9
58.53358	3.1
63.80837	2.9
67.05492	78.7
69.03406	7.1
69.07053	53.0
70.03925	19.2
70.04237	3.4
71.04973	14.1
79.05472	42.7
81.03387	9.3
81.07041	100.0
83.04969	4.7
83.08599	21.0
85.06524	9.8
90.31025	3.3
91.05466	22.6
93.07030	49.4
95.04952	10.4
95.08591	54.3
97.02898	5.2
97.06509	21.1
97.10140	8.9
98.20782	5.3
99.08085	3.8
105.07018	23.7
107.08583	30.9
109.02836	5.2
109.06551	6.7
109.10142	25.6
110.06047	3.9
111.08057	6.9
111.11710	4.9
113.17759	4.0
119.08571	17.1
121.10127	32.2
123.08036	4.0
123.11687	9.7
124.07573	16.2
131.08528	5.4
133.10101	16.4
135.04379	6.8
135.07968	3.3
135.11662	34.7
135.61664	3.0
136.07545	14.1
137.02325	3.1
137.13239	3.5
138.05432	7.4
138.09081	5.8
138.45364	3.0
143.08514	3.2
145.02783	4.0
145.08595	3.1
147.11687	7.5
149.13249	16.4
153.12766	5.8
161.09549	3.3
161.13260	8.1
163.03897	27.5
164.07022	17.7
166.04999	5.0
189.67249	3.4
191.17967	3.5
206.11679	4.7
217.19473	12.3
222.98677	3.0
235.20544	11.7
253.21581	8.9
260.09103	10.2
262.10684	8.2
271.22794	4.0
289.18530	4.3
290.10190	16.5
299.65961	3.2
303.12634	3.6
304.40921	3.1
307.08261	5.3
307.12952	9.3
307.19669	5.2
313.18546	2.9
315.56473	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	307.2624
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03922	4.2
55.01859	3.1
55.05498	12.5
57.03401	1.6
57.07055	6.1
58.65445	1.0
59.04971	2.4
66.30051	1.1
67.05193	1.4
67.05495	16.9
69.03417	18.4
69.07056	71.4
70.67593	2.3
70.67963	2.5
71.04965	3.4
71.08597	2.0
71.32346	1.3
77.05251	1.2
79.05479	18.6
81.03409	17.5
81.07043	100.0
83.08606	9.1
83.14903	1.1
85.02897	1.4
85.06531	4.5
85.12716	1.3
89.03883	7.9
89.06013	1.6
91.05451	12.9
93.07027	45.3
95.04939	3.6
95.08589	35.4
97.02882	10.8
97.06503	10.4
97.10133	2.3
97.60761	1.1
99.04424	1.3
99.08109	1.9
105.07018	19.1
107.04935	2.9
107.08578	42.7
109.02845	5.1
109.06504	9.0
109.10133	24.6
110.15932	1.2
111.08054	15.1
111.11692	15.8
112.36719	1.2
117.03369	11.5
117.06978	1.7
119.08553	9.2
121.10125	18.2
122.35851	1.2
123.08087	3.3
123.11687	25.5
123.61174	1.4
127.03878	3.2
129.06970	1.4
131.04701	1.2
131.08531	2.3
133.10117	19.4
135.04393	21.0
135.11671	6.6
137.13232	3.9
139.11153	19.2
141.06673	1.1
145.02840	14.0
145.10110	2.2
147.11655	7.7
149.13223	4.4
151.11156	39.0
151.14720	1.3
152.20531	1.2
153.12708	3.4
159.11681	2.1
161.13170	1.8
163.03874	99.0
163.14801	2.2
164.04225	4.2
165.12689	10.1
169.12178	3.9
173.13197	2.4
175.14735	1.6
177.16261	1.2
271.24109	1.5
277.25150	1.7
289.25293	6.4
307.08047	18.4
307.26364	26.2
314.89957	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2628
Annotation	Trixagodiol C
Peak:m/z	Relative Intensity
53.03929	2.9
55.01857	4.0
55.05513	8.1
57.03424	0.9
57.07072	5.2
58.55626	0.8
59.04990	2.0
59.30300	1.0
62.86914	0.8
67.05499	15.9
69.03426	6.9
69.06688	1.9
69.07059	35.3
70.67072	1.0
70.67420	2.5
71.04964	3.2
71.08601	1.1
73.74660	0.9
79.05486	14.7
81.03429	5.0
81.03811	1.0
81.07049	100.0
82.07361	1.4
83.04963	2.2
83.08608	7.8
85.06517	5.2
89.03894	0.8
91.05470	13.5
93.07034	40.4
95.04951	6.8
95.08596	26.7
96.78599	0.8
97.02911	2.0
97.06511	10.8
97.10145	4.5
99.04433	1.7
99.08057	2.2
105.07017	15.9
107.08586	41.5
107.09327	2.0
109.02876	1.4
109.06507	9.4
109.10149	25.8
111.08074	34.1
111.11710	8.3
117.03324	1.1
117.06952	0.8
119.08578	4.9
121.10142	9.8
123.08070	2.0
123.11694	22.0
125.09638	1.3
127.03851	1.8
131.08524	2.3
133.10120	23.0
135.04410	4.4
135.08018	1.6
135.11696	6.4
137.09567	1.9
137.13261	4.2
139.11171	14.5
145.02798	1.5
145.10118	2.3
147.11676	5.7
149.13263	4.5
151.11169	46.1
153.12700	1.6
157.10063	1.2
159.11652	2.4
161.13229	2.8
163.03885	16.6
163.11147	1.0
163.14795	3.6
165.12730	4.9
169.12210	5.5
173.13193	1.6
175.14825	2.5
177.12695	1.0
177.16408	3.0
183.08070	1.0
187.14764	1.1
189.16338	0.9
191.17906	1.8
201.16325	1.4
203.17963	1.0
207.17418	1.4
219.08104	1.2
245.22589	1.2
271.16776	0.9
271.24194	3.2
277.25232	1.8
289.17874	1.1
289.25223	10.2
292.07254	1.0
307.08197	4.2
307.26303	33.8
308.26697	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98565	2.1
51.46840	1.9
51.88174	2.0
52.91130	1.8
53.03927	2.5
55.01860	4.4
55.05497	5.4
56.05009	4.6
56.96535	3.5
57.03426	4.7
61.02905	7.9
65.60522	2.3
67.05479	8.7
68.04996	2.9
69.03419	23.4
69.07037	3.7
70.04084	5.4
70.06577	7.9
71.04978	6.5
71.69041	2.2
71.69442	2.6
72.08134	9.2
73.02904	3.0
74.06070	5.9
76.02209	5.1
79.05486	2.9
81.03394	8.9
81.07044	4.1
83.04955	3.5
84.04503	5.3
84.08133	26.2
85.02900	27.7
85.06551	11.5
86.06034	3.3
87.04458	3.3
88.07622	4.4
90.03344	2.7
91.05456	6.7
93.07008	5.8
95.04949	3.1
95.08599	2.1
97.02881	11.5
98.06025	3.4
98.97553	6.0
99.04435	4.0
102.09153	23.3
105.07034	3.0
107.04939	2.5
109.02847	6.6
109.06487	2.4
110.06016	8.6
111.04420	9.6
111.08070	29.4
112.07529	2.2
113.02354	2.7
116.98587	4.7
119.04962	2.4
121.06528	2.9
122.06033	2.8
123.04471	3.7
127.03893	7.5
128.07080	2.3
128.10698	47.8
128.11604	4.2
129.09099	21.1
130.12262	5.4
135.06670	2.6
136.06158	6.5
145.04942	5.0
146.08075	2.2
146.11739	100.0
147.04384	6.8
149.05978	6.2
150.05505	6.4
153.67393	2.0
162.02107	2.9
165.05644	2.4
177.08850	6.0
204.08673	7.7
206.10057	3.0
290.16043	2.2
308.11401	3.0
308.17053	41.1
309.10898	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	308.2214
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
51.02359	0.2
55.05501	0.6
57.03424	0.2
57.07050	0.9
58.02931	0.3
59.57059	0.2
66.04678	0.3
67.05505	0.4
68.22699	0.2
69.07063	1.0
70.04061	0.4
71.08607	0.7
79.05487	1.1
81.07053	2.7
83.08607	0.2
84.04509	0.2
91.05439	1.1
93.07029	0.7
94.04168	2.5
95.04948	0.4
95.08598	1.2
96.16513	0.2
97.06545	0.3
97.10926	0.2
99.08085	0.3
105.03432	0.2
105.07021	0.6
107.04916	0.6
107.08588	0.5
109.06480	0.6
109.10135	0.4
117.03265	0.2
119.08541	0.4
121.10085	0.3
122.03626	7.0
133.10083	0.3
135.04396	0.4
137.05952	100.0
137.13232	0.7
138.06279	2.4
145.59479	0.2
147.04407	0.4
163.03838	1.1
165.12685	0.3
168.50168	0.2
172.16953	1.2
184.16940	2.3
243.45674	0.2
268.26495	0.2
291.19839	0.4
291.23172	1.4
308.22165	0.3
308.25699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.05497	0.7
57.03420	0.6
57.07061	0.3
61.02902	0.4
65.03922	1.1
67.05482	1.0
67.39987	0.3
68.50051	0.3
69.03423	3.8
69.07062	0.7
71.04974	0.5
71.08620	0.4
73.02911	0.5
79.05492	0.5
81.02939	0.5
81.03405	7.2
81.07048	1.8
83.04977	0.5
83.08607	0.4
85.02896	4.0
89.03893	0.7
91.05473	10.5
92.40277	0.2
93.07018	0.8
95.04978	0.3
95.08591	1.2
97.02902	1.3
97.03388	0.3
97.87375	0.3
98.21450	0.9
99.04446	1.1
105.06981	0.4
107.04937	0.4
107.08573	0.6
109.02855	2.7
109.10146	1.0
117.03371	0.7
119.04925	26.8
119.08522	0.5
120.05275	0.6
121.10104	0.5
123.04373	0.3
123.11670	0.4
127.03907	1.0
129.07027	0.2
135.04411	1.6
135.11749	0.3
145.02856	0.9
147.04388	100.0
148.04716	2.2
160.41934	0.2
163.03882	7.6
165.05475	3.7
177.05595	0.4
229.85619	0.4
243.39783	0.3
247.51306	0.3
283.24524	0.3
291.08582	6.1
309.09473	1.4
313.54407	0.3
334.33331	0.3
334.37607	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29647	0.4
51.01582	0.4
53.03926	1.0
54.12403	0.4
55.01865	0.6
55.05505	2.3
57.03418	1.1
57.07055	0.4
63.02336	0.5
65.03918	1.3
67.05495	2.8
69.03421	5.2
69.07062	7.0
71.04970	1.3
71.25127	1.0
79.05468	1.8
81.03405	8.9
81.07038	5.9
83.04968	2.3
83.08605	1.4
85.02885	5.6
85.06518	0.7
89.03886	2.0
91.04926	0.6
91.05467	12.2
93.07041	2.2
95.04943	0.9
95.08592	4.0
97.02878	2.1
97.10125	1.0
98.98428	0.8
99.04447	1.1
99.08073	1.0
105.07017	1.1
107.04924	0.9
107.08536	1.9
109.02870	3.0
109.06502	0.6
109.10142	3.2
111.04397	1.1
111.11693	1.5
113.21368	0.4
117.03378	2.6
117.06979	0.4
119.04926	24.3
119.08564	1.4
120.05247	0.6
121.06471	0.4
121.10114	1.2
123.04368	0.8
123.08070	0.6
123.11681	1.4
127.03871	1.3
131.08513	0.5
133.10101	0.7
135.03432	0.7
135.04390	7.3
135.11656	0.4
137.09663	0.6
137.13234	0.6
139.11153	1.1
143.08487	0.4
145.02808	5.1
145.06456	0.4
145.10078	0.6
147.04382	100.0
148.04716	1.6
149.13313	0.8
154.52165	0.4
157.10104	1.0
163.03879	37.0
163.14795	0.8
164.04240	0.9
165.05476	3.0
234.06868	0.4
237.00752	0.6
249.09084	0.5
251.18071	0.5
277.08615	0.8
280.96121	0.4
291.08615	6.2
291.26910	0.8
309.09464	3.1
309.21982	0.4
309.27756	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47714	0.4
53.03927	1.3
55.01861	1.0
55.05503	2.0
56.96565	0.6
57.03423	1.1
59.04996	0.8
60.64533	0.4
60.67771	0.4
65.03925	0.7
67.05489	1.6
69.03418	5.8
69.07054	3.0
69.50162	3.2
69.50581	0.9
71.04974	1.9
79.05483	1.7
81.03403	9.6
81.07046	4.0
83.04968	2.5
83.08595	1.0
85.02892	5.6
85.06516	0.5
89.03902	3.2
91.05466	12.5
93.07021	2.4
95.04974	0.8
95.08575	3.1
97.02879	1.9
98.98463	1.1
99.04433	1.3
99.08069	0.7
105.07009	1.3
107.04941	1.3
107.08564	1.3
109.02863	3.8
109.10124	1.9
111.04427	1.2
111.08083	0.9
117.03359	4.7
119.04918	25.7
119.08563	1.2
120.05260	0.7
121.10104	1.2
123.08037	2.3
123.11688	1.3
127.03883	1.9
131.08609	0.8
133.10149	0.6
135.03343	0.7
135.04391	11.2
135.11650	0.6
137.13235	0.5
139.11148	0.6
145.01640	0.7
145.02823	7.2
145.10066	0.8
147.04384	100.0
148.04698	2.2
149.13203	0.8
163.03879	54.5
164.04251	1.1
165.05466	3.3
234.06726	0.6
255.01668	0.5
267.89517	0.4
273.07556	0.4
277.08612	1.3
291.08563	7.8
291.19473	0.5
291.26492	0.5
309.09592	2.7
309.21954	0.6
309.27890	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
57.03419	1.0
60.77930	0.3
65.03925	0.9
65.22101	0.3
69.03422	6.7
69.07054	1.0
69.76604	2.4
71.01345	0.4
71.04984	0.6
79.05477	0.3
81.03411	3.2
81.07036	1.1
83.89821	0.4
85.02893	3.8
85.32986	0.3
91.05469	9.1
93.07029	0.6
95.08588	0.9
97.02881	13.0
99.04432	1.2
101.02338	0.5
105.49547	0.3
109.02854	1.4
109.10114	0.7
111.08122	0.4
119.04927	22.3
120.05250	0.5
123.82497	0.3
127.03893	1.2
135.04402	0.6
145.02802	0.4
147.04390	100.0
148.04703	1.7
149.40646	0.3
163.03897	4.1
163.14655	0.3
165.05447	5.4
206.57573	0.3
277.08542	0.4
291.08578	3.4
309.09622	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	309.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01861	1.0
55.05478	0.9
57.03420	1.4
61.02899	0.7
65.03925	1.1
67.05505	2.7
69.03416	7.0
69.06145	0.5
69.07050	1.1
70.06601	0.5
71.01347	0.6
71.04971	2.1
71.62022	0.5
73.02888	0.7
79.05476	2.7
81.02939	0.8
81.03403	11.5
81.07038	3.1
83.04983	3.4
83.08595	0.9
85.02893	6.6
85.06554	0.7
86.09660	0.6
89.03902	4.6
91.04914	1.0
91.05462	13.3
93.07025	2.2
95.04951	1.4
95.08596	2.5
97.02874	4.5
97.06490	0.5
98.97565	0.8
99.04408	1.4
105.07003	1.6
107.04947	2.4
107.08552	1.2
109.02851	3.5
109.06509	1.0
109.10117	1.4
111.04393	2.0
117.03349	6.0
117.06997	0.7
119.04921	28.4
119.08554	1.8
120.05260	0.6
121.06489	0.7
121.10154	1.2
123.04408	1.9
123.08080	0.8
125.09624	0.6
127.03900	2.0
129.06981	1.5
131.08505	1.0
133.10136	1.1
135.04393	11.4
136.07564	2.2
137.09608	0.6
145.02827	7.6
145.10072	0.7
146.11771	0.6
147.04384	100.0
148.04733	1.9
153.09052	0.5
161.05948	0.7
163.03879	61.3
164.04228	1.0
165.05472	4.3
177.00638	0.7
177.05417	0.5
189.05487	0.5
206.07176	0.6
211.97598	0.6
221.05960	0.6
221.09612	0.9
233.15520	0.6
234.06618	1.0
248.08104	0.6
249.09378	0.8
251.07002	1.0
273.07602	0.6
277.08575	1.0
281.11700	2.3
291.08600	8.2
291.19452	0.8
309.09515	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	309.2054
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03934	6.3
55.01856	8.5
55.05503	52.2
56.59173	1.9
57.03419	10.6
57.07060	4.0
59.04995	3.2
65.03918	3.9
67.05499	42.3
67.79041	2.1
69.03424	6.1
69.07051	22.9
69.38512	5.0
69.38918	20.4
70.04070	11.8
79.05481	34.9
81.03416	9.6
81.07043	44.3
83.04966	8.6
83.08604	27.9
85.02906	4.2
85.06527	3.2
85.42584	2.0
89.35136	1.9
91.05477	22.6
93.07027	30.3
95.04955	14.2
95.08594	30.8
97.06519	5.0
97.10156	40.0
98.21481	4.5
105.07013	19.9
107.04939	12.6
107.08588	22.8
109.02880	2.8
109.06522	4.9
109.10141	18.4
111.04429	6.0
111.08093	3.7
117.07003	6.7
119.04957	4.6
119.08578	21.2
121.06522	3.9
121.10146	13.4
123.04454	3.5
123.08057	22.4
123.11707	4.3
125.09614	30.1
129.07048	3.9
131.08566	8.6
133.10086	11.6
134.27122	1.8
135.04413	5.9
135.08052	5.7
135.11688	4.2
137.09608	4.0
140.84468	2.1
143.08551	6.0
145.10129	6.5
147.04411	6.5
147.08015	5.3
147.11728	5.0
149.09651	3.6
153.09001	2.3
157.10086	4.9
159.11702	2.5
161.09550	2.5
163.03879	21.0
163.11223	2.9
165.09116	3.2
167.08580	3.6
169.10127	2.9
171.11659	4.7
175.11180	3.8
175.14909	2.7
179.14371	2.5
183.11592	2.3
185.13145	2.7
189.11209	19.4
189.16380	3.0
193.12221	3.8
199.14862	3.1
211.13268	3.7
217.15834	3.7
223.13277	3.1
233.15323	2.6
249.14755	3.7
255.17380	4.1
273.18423	17.8
277.21661	2.7
291.19482	100.0
292.19714	5.3
309.20694	13.9
309.24329	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2056
Annotation	Soraphen O
Peak:m/z	Relative Intensity
51.62278	1.5
53.03931	9.6
55.01860	6.5
55.05508	16.4
57.03426	18.5
57.07061	3.2
58.51132	1.6
58.69407	1.3
59.04983	1.8
63.79444	1.5
64.33704	1.3
65.03920	3.4
66.25649	1.7
67.05498	43.9
69.03413	8.8
69.07054	15.8
70.06597	1.6
71.04985	11.1
77.01672	1.4
79.05482	40.3
81.03405	19.8
81.07046	60.2
83.04968	12.6
83.08615	7.3
85.02889	3.2
85.06527	6.1
89.03911	7.0
91.04922	3.0
91.05467	43.7
91.06032	2.3
93.07028	41.1
95.04956	17.5
95.08594	33.9
96.08919	1.6
97.06506	14.1
97.10147	2.4
98.20660	3.5
98.98457	2.1
99.08073	7.4
103.05466	2.7
105.07028	25.1
107.04933	14.1
107.08578	26.1
109.02859	1.9
109.06498	21.0
109.10124	13.4
110.91771	1.6
111.04427	4.1
111.08035	4.4
113.06017	2.0
117.03383	9.1
117.07004	13.2
119.04939	7.3
119.08559	22.6
119.78370	1.5
121.06495	4.4
121.10120	15.8
123.04375	4.7
123.08064	10.2
123.11707	3.8
125.09624	2.6
127.07516	4.9
129.06998	4.7
130.06483	4.8
131.04956	1.6
131.08556	17.2
133.06445	1.7
133.10112	18.2
135.04413	19.9
135.08038	8.8
135.11650	9.2
136.06105	1.5
137.09587	3.7
139.07529	2.3
142.07709	1.6
143.08566	7.4
145.02832	13.2
145.06447	4.6
145.10068	9.7
147.04381	35.0
147.08029	5.9
147.11661	6.7
149.09589	5.3
149.13240	2.4
151.11143	3.5
153.09091	2.3
155.01076	2.1
155.08530	1.7
157.10106	8.2
159.07932	1.8
159.11671	8.2
161.09564	4.8
161.13199	1.5
163.03891	100.0
164.04181	2.3
165.05467	1.7
165.12758	1.9
169.10054	2.4
171.11679	4.1
173.13239	3.6
175.11172	2.5
177.12675	3.1
181.10143	1.8
183.11728	3.2
185.13248	3.0
187.11143	3.3
189.12749	3.0
189.16345	4.0
192.06555	4.8
195.13818	2.3
199.14780	6.2
217.15843	9.3
219.13669	2.1
221.15338	2.2
233.00247	1.4
233.15297	1.8
235.16913	4.3
241.14386	3.2
241.59680	1.4
242.14362	1.6
245.18956	2.5
255.17482	1.8
263.20108	2.0
273.18420	13.7
277.21173	1.5
291.19473	30.9
309.12411	8.8
309.20465	14.5
309.25674	2.8
315.86615	1.5
331.72424	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2056
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.12527	3.5
55.01854	10.7
55.05507	49.2
57.03426	29.9
57.07061	6.3
59.04982	4.6
60.38565	4.8
67.05500	57.2
69.03416	18.4
69.07053	21.7
70.06573	7.4
71.04984	7.1
71.71185	7.1
77.85752	3.7
79.05479	51.6
81.03413	7.2
81.07043	72.4
82.26883	4.3
83.04967	12.6
83.08610	22.1
85.02907	5.0
85.06521	7.0
89.03928	6.4
91.05462	54.7
93.07052	35.3
95.04962	21.6
95.08585	34.1
97.02870	7.5
97.06487	9.6
97.10149	20.0
98.98435	5.8
99.04469	4.6
99.08081	7.0
100.11175	5.2
105.07013	34.6
107.04941	17.5
107.08584	30.9
109.02917	4.6
109.06499	20.2
109.10143	21.5
111.04424	7.9
111.07998	5.2
112.07577	4.9
115.05441	5.7
117.03321	9.4
117.06995	21.1
119.04935	28.8
119.08549	57.2
121.06466	13.1
121.10126	16.5
123.08054	11.1
123.11696	8.4
125.09618	16.1
129.06978	13.8
130.07774	5.6
131.08551	19.2
133.06396	4.2
133.10129	19.3
135.04388	16.8
135.08008	8.9
135.11690	6.3
137.09579	7.3
143.08511	8.2
145.02812	9.4
145.10114	19.5
147.04399	100.0
147.08058	23.1
147.11646	10.7
148.04736	4.3
149.09602	7.0
151.88350	3.9
155.08598	5.9
157.10091	10.0
159.11678	9.5
161.09660	5.6
163.03886	90.1
163.11176	5.8
164.04262	6.1
169.10031	4.3
171.11699	9.3
173.13206	10.0
178.07550	4.1
182.15422	24.7
189.11171	6.8
199.14839	11.4
210.14915	23.1
217.15884	10.9
219.13861	7.0
249.07076	7.3
249.14749	4.9
255.17435	4.8
273.18442	30.8
274.18729	5.2
291.08719	4.4
291.19467	53.1
293.06720	4.3
309.10324	4.5
309.21127	6.4
309.25186	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	309.2055
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03930	1.8
55.01855	4.5
55.05496	6.0
57.03429	30.9
67.05499	28.8
69.07059	3.7
69.61717	7.1
69.62135	4.4
71.04974	3.9
79.05473	12.0
80.17545	1.8
81.03375	2.2
81.07039	14.1
83.08604	2.7
85.03615	1.7
85.06528	33.8
91.05475	11.6
93.07034	12.7
95.04389	2.7
95.04957	32.5
95.08586	8.0
97.06524	1.8
98.21428	2.8
105.07056	7.9
107.04928	2.9
107.08586	9.1
109.06503	37.4
109.10117	1.9
113.05987	100.0
117.06994	5.8
119.08560	6.6
121.10114	5.8
123.08022	2.2
129.07031	2.2
131.08569	7.6
133.10107	4.3
133.13974	1.4
135.08032	32.9
135.11668	2.1
143.08562	2.5
145.10110	4.0
147.04390	4.5
147.08026	2.5
147.11632	2.8
149.09564	3.3
157.10095	3.5
159.11707	4.9
161.09576	5.4
163.03867	6.0
163.11140	2.2
171.11642	2.2
175.11148	2.1
177.12724	2.0
183.11719	1.6
199.14836	2.1
217.15858	12.1
234.01103	1.4
255.17474	1.8
273.18411	12.1
291.19507	41.8
292.19882	2.0
309.20920	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2055
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03929	2.7
55.01860	6.1
55.05503	33.4
57.03429	2.2
57.07051	2.2
65.03889	1.6
67.05144	1.3
67.05497	21.9
69.03410	3.9
69.07061	15.3
71.04968	2.1
79.05482	20.2
81.03391	4.1
81.06608	1.8
81.07050	23.4
82.57820	1.1
83.04958	5.8
83.08605	18.7
87.21074	1.1
91.05463	13.5
93.07033	16.1
95.04966	5.8
95.08611	10.9
96.12043	1.3
97.06493	3.6
97.10156	24.3
98.20655	2.6
103.05483	1.4
105.07025	10.4
107.04939	4.6
107.08569	14.2
109.02925	1.8
109.06493	3.7
109.10140	3.7
111.04444	2.5
111.08035	2.8
117.07005	5.0
119.04914	1.4
119.08561	11.2
120.65659	1.1
121.06476	2.3
121.10091	6.7
123.08033	8.5
123.11707	1.7
125.09623	16.3
129.06989	3.4
131.08533	5.9
133.06444	2.3
133.10107	4.2
135.04381	2.6
135.08015	3.0
135.11673	3.0
137.09587	2.7
143.08528	2.1
143.10677	1.9
145.10139	3.4
147.08022	4.1
147.11668	4.1
149.09605	2.5
151.11192	1.5
153.09070	1.7
159.11676	2.6
161.09610	3.3
161.67104	1.2
162.10390	1.4
163.03885	9.2
163.11127	2.1
165.09100	4.9
171.11716	1.8
173.09502	1.7
175.11136	2.4
181.12231	1.4
189.11189	9.8
196.66490	1.4
223.13181	2.7
249.14899	2.0
255.17427	1.4
273.18445	10.5
277.21451	2.0
291.19513	100.0
292.19937	4.4
309.07639	1.8
309.20654	5.4
309.24118	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2055
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03941	8.1
55.01866	15.8
55.05506	36.5
55.42755	2.5
55.88297	2.7
57.03417	6.5
57.07067	6.4
59.05001	2.8
65.03933	7.1
67.05494	77.5
68.37948	2.7
69.03414	5.8
69.07063	28.6
69.71575	5.1
69.71983	18.0
71.04980	10.9
71.08622	3.3
71.64644	2.6
79.05481	46.3
81.03394	10.7
81.07045	94.8
81.07539	4.5
83.04973	16.0
83.08594	15.1
85.02899	2.6
85.06523	8.2
91.05471	53.4
93.07032	50.0
95.04951	12.4
95.08596	40.3
97.06509	10.8
97.10135	8.2
99.04481	4.4
99.08064	5.9
105.07020	58.3
107.04942	10.2
107.08577	54.6
109.06509	13.4
109.10143	88.1
111.04420	8.5
111.08071	11.3
113.06036	4.5
117.07017	7.6
119.07999	2.2
119.08591	22.5
121.06491	12.8
121.10115	17.6
123.04389	4.0
123.08043	9.1
123.11682	16.6
125.09605	6.5
129.07005	4.5
131.08563	14.2
133.06464	6.3
133.10112	100.0
135.04382	3.6
135.08023	6.8
135.11656	13.0
137.09598	4.5
139.07527	9.4
143.08530	11.0
145.10074	12.8
147.08046	11.7
147.11667	9.5
149.09555	8.7
151.11169	62.7
157.10123	7.8
159.08145	3.2
159.11723	5.1
161.09593	10.5
161.13155	4.8
163.03882	15.9
163.11151	5.1
165.09167	3.5
165.12657	2.4
169.12216	12.8
171.11690	7.2
173.13112	3.6
175.11151	4.2
175.14764	3.1
177.12740	4.3
179.10603	4.3
179.14270	3.0
181.08542	4.6
185.13228	3.8
189.12752	4.8
193.12137	3.0
203.14352	4.3
207.13832	4.4
215.12755	4.9
227.17921	3.8
245.19080	19.8
255.17368	6.2
263.20059	12.5
273.18475	34.1
277.21536	3.8
291.19492	69.1
292.20032	3.9
296.05777	2.4
309.20596	22.9
309.24506	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	15.7
55.01852	5.6
55.05506	31.6
55.55641	3.3
57.03411	4.2
57.07051	8.2
58.04243	3.0
59.59255	3.2
60.33890	3.7
65.76360	3.6
67.05500	72.1
69.06728	5.6
69.07065	51.1
71.05004	3.3
71.08629	22.6
71.23711	6.6
71.69312	3.1
72.26197	3.6
79.05481	45.1
81.03416	58.8
81.07047	70.2
83.04956	18.5
83.08626	19.6
85.06519	3.5
85.10184	4.9
91.05473	32.7
93.07034	57.0
95.04961	44.3
95.08593	38.6
97.06500	7.4
97.10168	11.6
99.08084	19.2
105.07027	30.2
107.08591	37.4
109.06512	11.9
109.10150	21.0
113.09593	3.3
117.07045	7.6
119.08568	18.5
121.06510	7.0
121.10101	18.0
123.08008	6.0
123.11696	8.5
125.09616	16.1
129.06964	4.4
131.08575	9.2
133.10089	20.2
135.11649	15.9
137.13321	3.7
145.10075	8.7
147.11684	11.2
149.13261	12.6
151.11162	52.2
153.09012	4.1
157.10156	5.1
159.11737	4.0
161.13179	16.5
163.03914	7.3
163.11179	4.6
163.14799	7.7
165.12775	10.0
171.11603	7.9
173.13268	6.7
175.11206	6.8
175.14807	6.9
179.10631	3.6
179.14386	21.6
189.12679	5.3
193.12206	7.5
199.14795	5.2
203.12831	10.5
207.13670	3.4
217.19519	4.7
231.17465	4.4
231.21101	10.9
241.19252	6.7
249.22141	4.6
259.20520	10.6
262.67142	3.6
277.21597	100.0
296.69415	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2419
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
52.46550	1.0
53.03922	4.1
55.01866	2.6
55.05502	22.4
55.88070	1.1
57.03416	4.1
57.07045	3.6
57.14085	1.2
64.43557	1.0
65.03931	1.9
67.05492	46.8
67.78342	1.1
69.07054	16.4
71.04971	2.4
71.08621	51.9
71.63714	2.8
77.03891	1.4
79.05022	1.8
79.05483	45.6
81.03407	9.0
81.07044	47.7
83.04967	13.0
83.08603	9.8
85.06517	2.1
91.04931	1.7
91.05470	28.4
93.07030	57.7
95.04954	12.0
95.08588	35.9
97.06515	8.7
97.10149	2.5
99.07433	2.2
99.08080	42.7
105.07007	18.1
106.92865	1.5
107.04945	6.7
107.08573	27.3
109.06483	4.4
109.10131	11.5
111.08028	1.3
113.09632	1.6
116.00926	1.1
117.06977	5.0
119.08562	14.3
121.06456	1.5
121.10129	30.2
123.08031	3.8
123.11674	1.9
127.11217	1.6
129.06963	1.7
131.08553	4.4
133.10100	11.9
135.07851	1.2
135.11671	37.2
137.09598	4.7
139.11188	1.7
141.09096	3.4
143.08568	2.8
145.10080	5.0
147.11649	5.0
149.13240	11.1
151.11139	19.6
153.12715	3.2
157.10110	2.7
159.11644	3.6
161.13264	11.3
163.11156	6.2
163.14850	2.5
165.12775	2.0
167.10646	2.4
171.11673	4.1
174.96390	1.2
175.14862	2.5
177.12721	3.5
179.14287	100.0
180.14589	3.0
181.12227	1.5
185.13277	1.8
188.58308	1.2
189.12755	2.2
193.23029	1.2
195.13785	2.7
207.13797	1.3
221.15402	3.3
235.16853	3.6
239.71767	1.1
241.19467	1.5
259.20535	4.7
277.21597	43.1
278.22006	1.2
309.24350	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.242
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03936	12.3
55.01871	16.0
55.05503	46.3
55.97237	2.6
55.97545	2.8
57.03426	8.3
57.07058	11.3
62.45337	2.6
62.63119	2.5
67.05497	82.3
69.03413	20.6
69.07056	49.2
69.44263	27.2
71.04987	9.2
71.08617	32.8
77.91089	2.6
79.05025	4.6
79.05481	64.2
79.05930	4.7
81.03400	27.0
81.07052	87.4
83.04968	27.4
83.08603	23.3
85.06530	5.9
85.10182	15.1
89.03896	3.3
91.05471	43.9
93.07031	67.5
93.07583	4.6
95.04966	22.2
95.05521	4.0
95.08598	66.0
97.06509	22.6
97.10147	19.9
99.08076	37.8
105.07013	34.2
107.04949	12.8
107.08588	38.2
109.06491	15.0
109.10148	35.3
111.08074	15.3
113.09641	16.2
117.03386	8.5
117.07019	7.6
119.08575	27.1
121.06492	3.8
121.10144	26.3
123.08053	28.7
123.11700	7.9
125.05994	5.5
125.09624	22.5
129.06998	9.0
131.08548	16.1
133.10100	27.4
135.04408	11.3
135.08052	6.8
135.11685	32.2
137.09610	7.7
139.11160	6.4
142.07741	3.6
143.08542	6.6
145.02811	9.2
145.10118	10.0
147.04404	11.6
147.11676	15.4
149.09598	5.3
149.13234	13.4
151.07532	3.0
151.11147	29.9
153.09108	5.4
153.12729	10.2
155.08577	3.2
155.10667	5.2
157.10085	13.0
159.08073	2.6
159.11707	7.7
161.09619	4.1
161.13237	18.4
163.03876	55.0
163.11186	9.6
163.14818	6.9
165.12712	21.7
171.11705	7.9
173.13347	6.3
175.11230	4.0
175.14754	9.6
177.12881	3.2
179.14340	13.2
181.12132	4.0
183.11505	2.9
185.13214	7.5
185.61087	3.0
187.14877	3.1
189.12746	3.9
189.16264	3.8
193.15869	3.0
199.14803	6.0
203.12790	11.5
205.80884	3.2
217.19476	4.8
221.15434	3.0
235.16861	6.9
241.19464	9.9
249.22083	7.6
259.20490	13.1
277.21582	100.0
278.22086	5.0
291.19666	3.6
291.23041	4.4
309.24402	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	309.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.7
51.08279	0.6
53.03927	2.4
55.01870	3.4
55.05501	11.6
57.03422	2.1
57.07067	6.4
57.83338	0.7
59.04985	2.6
65.03926	1.6
67.05498	15.9
69.03417	9.2
69.07058	27.0
71.04984	5.9
71.08609	2.3
71.53391	0.7
73.06539	0.7
79.05482	9.0
81.03410	7.0
81.07047	36.3
83.04972	2.6
83.08109	0.8
83.08603	15.0
85.02882	5.8
85.06532	4.9
85.10159	0.7
89.03886	3.3
89.05994	0.8
91.04923	1.0
91.05470	15.1
92.05762	0.7
93.07035	17.8
95.04955	3.4
95.08592	40.4
95.96059	0.6
97.02886	7.6
97.06521	4.2
97.10135	5.1
98.20685	2.0
99.04456	0.9
99.08067	2.5
105.07008	6.8
107.04935	1.3
107.08582	13.7
109.02845	3.2
109.06489	2.0
109.10141	16.2
111.08071	27.9
111.11706	2.8
113.09611	0.8
115.07559	0.7
117.03345	2.6
119.04928	27.8
119.08558	4.3
120.05251	1.5
121.10129	8.1
123.08031	2.5
123.11697	11.3
125.09604	3.1
125.13210	0.9
127.03893	1.7
133.10103	3.7
135.04387	7.3
135.11671	6.1
137.05954	1.0
137.09593	1.0
137.13245	4.0
139.11162	2.9
145.02859	5.2
145.10068	0.9
147.04390	100.0
147.11688	4.3
148.04716	5.5
149.13243	7.7
151.11191	1.0
151.14754	0.7
153.12758	1.4
157.10095	0.9
159.11646	1.0
161.13232	3.0
163.03883	37.2
163.14824	2.3
164.04243	2.8
165.05508	4.5
165.12737	2.0
166.72382	0.7
167.14333	1.2
175.14821	1.3
177.16362	1.8
179.14330	1.0
179.18021	1.7
181.10300	0.7
185.13303	0.8
189.16365	0.7
203.17944	1.0
209.19037	1.9
226.75572	0.7
261.25815	1.4
273.25845	2.9
277.08578	1.2
279.26782	1.6
281.11700	1.1
291.08557	5.8
291.19696	0.9
291.26782	4.7
309.09857	2.5
309.22156	1.1
309.28006	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	309.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.2
54.71301	0.6
55.01852	1.9
55.05502	5.7
57.03424	1.2
57.07065	5.2
65.03926	1.4
67.05498	8.1
69.03427	6.2
69.07055	16.9
69.44496	7.4
70.06566	0.8
70.21072	0.6
71.04981	1.0
71.08607	3.1
74.19999	0.6
79.05483	7.1
81.03407	10.1
81.07042	28.2
82.21636	0.7
83.04969	1.5
83.08605	6.3
85.02892	4.8
85.06532	8.5
89.03915	1.1
91.05463	13.9
92.05792	0.9
93.07023	10.1
93.51540	0.6
93.84810	0.7
95.04947	0.9
95.06034	0.6
95.08002	1.3
95.08593	20.3
97.02895	3.3
97.03426	0.7
97.06511	1.8
97.10131	2.4
98.21472	1.5
99.04459	1.0
99.08080	4.9
105.07003	2.9
107.04936	0.8
107.08582	11.0
109.02862	3.9
109.10143	14.4
111.08067	6.5
111.11712	1.6
113.09653	1.2
117.03320	3.4
117.06934	0.8
119.04920	27.5
119.08551	2.8
120.05259	1.6
121.10138	8.2
123.04458	1.0
123.08068	0.8
123.11686	14.0
125.09589	1.1
125.13249	1.1
127.03845	1.2
128.49521	0.6
133.10085	2.0
135.04398	5.6
135.11674	6.2
137.09549	0.9
137.13223	5.6
139.11226	1.6
141.30533	0.7
145.02805	3.4
145.10046	1.0
147.04387	100.0
147.11641	1.6
148.04712	5.2
149.13255	6.0
151.14821	1.0
153.12701	2.8
161.13286	1.3
162.64954	0.6
163.03880	24.3
163.14728	2.1
164.04251	1.7
165.05484	3.5
165.06828	0.8
167.14243	1.5
171.13841	1.0
177.16374	1.9
193.19418	1.0
277.08630	1.6
281.11661	0.8
291.08594	5.2
291.26773	4.3
309.10144	1.3
309.21680	0.9
309.27759	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	309.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	44.6
57.07065	44.4
67.05492	50.9
69.07060	100.0
71.08615	29.4
71.71663	11.2
73.54317	7.7
81.07041	98.0
83.08598	52.9
85.06521	10.3
85.10166	10.1
93.07050	11.0
95.08584	92.5
97.10143	46.1
97.33198	7.0
102.43467	7.6
104.66524	8.0
105.07015	8.0
107.44796	9.2
109.10157	65.4
111.11684	22.5
121.60480	8.0
123.11688	30.0
125.13259	20.1
137.13219	9.4
167.96208	7.7
196.05188	7.2
201.98029	7.6
205.76091	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	310.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50195	2.9
52.21920	3.3
55.15577	3.1
57.03422	5.3
57.07050	5.5
61.02921	6.9
67.05490	14.0
69.03418	11.1
69.07066	5.6
70.06576	7.6
71.04974	11.4
71.70290	3.2
71.70676	4.8
72.08137	3.7
76.02204	4.3
78.01775	4.9
79.05450	4.3
81.03416	10.2
81.07029	4.6
83.04973	4.1
84.04494	5.5
84.08131	9.4
85.02891	48.4
85.06540	7.5
86.09702	3.5
91.05463	8.2
93.07025	4.7
95.04965	19.9
97.02862	12.1
98.97571	4.8
99.04461	5.0
105.07027	7.8
107.04924	4.8
109.02853	8.6
113.05981	50.7
119.04900	3.5
120.08078	6.0
121.06511	5.9
127.03943	8.0
131.07022	100.0
131.08011	5.1
133.06454	12.9
136.06281	4.1
136.07593	6.6
145.04935	10.0
147.04395	5.2
149.05968	12.1
176.11343	3.2
234.30881	3.3
241.04932	3.4
310.30945	3.9
311.11328	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	311.1119
Annotation	trans-Cinnamoyl beta-D-glucoside
Peak:m/z	Relative Intensity
53.03931	2.5
55.01848	1.2
55.62062	0.6
57.03420	2.5
61.02910	2.7
69.03423	10.8
70.06573	1.9
71.04971	0.7
71.06783	0.6
71.07132	1.7
73.02898	1.9
79.05479	5.0
81.03401	3.4
85.02897	13.2
87.04446	2.5
91.03935	1.3
91.05441	2.8
93.07017	4.1
95.04961	2.8
97.02871	6.2
99.04444	1.7
103.05441	4.3
105.07016	50.8
106.07368	1.0
107.04964	0.6
109.02863	2.3
115.05399	0.7
118.04140	1.2
121.06487	29.0
122.06811	0.7
127.03881	4.9
131.04901	1.7
133.06471	100.0
134.03613	0.9
134.06827	2.1
145.04933	1.1
149.05960	67.1
150.06291	2.0
167.06981	0.9
191.07103	1.0
311.11276	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	311.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
53.14638	0.6
55.01856	1.5
57.03426	1.6
61.02909	3.1
69.03425	10.1
69.07033	0.8
70.06579	2.9
71.04981	0.8
71.20990	1.8
71.64780	0.7
73.02892	1.5
79.05477	5.9
81.03414	4.2
84.08130	1.3
84.88680	0.7
85.02889	12.4
87.04449	1.9
91.05457	3.5
91.92887	0.7
93.07030	4.8
95.04957	2.9
97.02866	4.2
99.04433	1.2
103.05427	3.2
105.07014	54.5
106.07316	1.6
108.45695	0.7
109.02861	1.6
109.78550	0.7
110.06003	1.5
111.04501	0.7
115.51392	0.8
118.04164	1.1
119.04884	0.8
121.06496	24.1
124.07533	0.8
127.03897	3.7
131.04912	4.0
133.06471	100.0
134.03603	1.3
134.06813	2.6
136.07539	2.2
145.04936	1.9
145.06491	0.8
147.04387	1.4
149.05957	46.7
150.06332	1.9
151.07527	1.0
154.08614	1.1
167.07030	1.8
190.67522	0.8
191.06927	1.0
311.11148	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	311.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	4.1
55.01854	2.5
55.05487	3.0
55.67689	1.1
57.03122	1.1
57.03410	2.7
61.02877	1.2
66.53722	1.1
67.05482	4.1
69.03424	11.5
69.07041	1.4
71.04937	1.4
71.37234	2.4
79.05081	1.9
79.05483	22.5
81.03408	11.8
81.07043	8.6
85.02889	7.3
91.05476	16.4
93.07034	45.8
94.04153	4.8
95.04939	5.7
95.08600	3.5
97.02878	4.4
97.06514	2.8
99.04436	1.9
103.05441	3.3
105.07020	21.5
107.04922	3.6
107.08588	13.1
109.02866	7.8
109.06515	6.0
115.05458	2.5
116.06212	2.6
117.06998	1.8
117.93925	1.1
119.04967	1.5
119.08588	7.1
120.58717	1.1
121.06496	3.1
121.10129	63.7
122.03636	11.0
122.10460	1.2
123.08069	2.6
123.11664	2.7
125.68341	1.2
127.03934	3.0
128.06186	2.7
129.06972	4.9
131.04968	2.7
131.08534	5.7
133.06560	6.0
133.07391	1.4
133.10179	1.5
134.47202	1.2
135.53288	1.1
137.05963	100.0
138.06206	1.9
139.11153	1.6
144.05624	3.5
145.06396	1.9
145.10150	2.0
147.04343	3.1
147.07970	2.5
149.05971	6.1
149.09612	23.8
151.07451	1.7
155.04877	9.8
155.06013	1.7
156.05679	1.7
159.08040	9.7
161.05962	12.4
165.07004	4.3
167.10667	5.1
172.05142	3.6
175.07526	4.0
177.06999	1.7
180.09300	1.6
187.07527	24.1
188.07806	1.3
189.06894	6.4
190.07762	24.6
191.08527	53.7
192.08865	2.4
201.07062	1.8
202.07724	1.7
205.06491	3.2
207.08026	5.6
208.08778	7.2
218.07234	17.6
219.08029	68.8
220.08775	9.4
221.05951	3.8
225.09030	1.6
233.09616	2.4
235.07495	8.5
236.08281	15.1
237.09045	3.3
246.06729	2.7
247.07524	27.6
248.08195	5.1
249.08995	2.2
251.10646	90.1
252.10976	5.6
253.08598	8.6
261.08972	3.4
263.06934	2.4
264.07785	10.4
265.08533	4.9
267.10159	1.7
268.10718	1.3
279.10129	64.0
280.10718	6.6
281.08020	11.6
293.13651	4.3
296.10376	12.9
311.12711	65.6
312.13098	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01844	1.7
55.05494	2.2
57.03421	1.5
65.03918	1.3
67.05489	2.6
69.03415	7.2
69.07053	1.8
70.07146	2.7
70.07551	4.6
71.04987	2.2
79.05482	16.3
81.03413	11.1
81.07033	4.8
85.02884	7.4
88.69415	1.1
91.05473	15.4
93.07030	31.2
94.04171	5.2
95.04949	3.0
95.08589	4.1
97.02892	2.4
99.04442	2.0
103.05467	2.8
105.04537	1.5
105.07021	13.9
107.04932	3.9
107.08582	7.8
109.02863	4.7
109.06490	7.1
114.25679	1.2
115.05442	3.9
116.06203	2.5
119.08563	6.4
121.06474	5.3
121.10130	37.3
122.03625	12.6
123.08088	3.5
127.03884	1.6
128.06206	3.9
129.06993	5.8
131.04904	1.7
131.08566	4.3
133.06459	5.2
137.05954	100.0
138.06308	1.2
144.05716	4.1
145.06439	2.0
147.04390	1.5
147.08107	1.8
149.05984	6.5
149.09581	12.6
155.04877	8.2
159.08026	10.9
161.05956	15.1
161.09610	1.7
165.06999	3.6
167.07059	1.5
167.10696	1.6
172.05241	2.9
175.07550	3.3
179.08598	1.9
180.09354	2.3
187.07526	30.2
189.06973	7.4
190.07745	29.2
190.57108	1.3
191.08533	55.8
192.08983	2.4
197.07071	2.2
201.07195	1.3
202.07750	2.7
203.08580	2.2
205.06516	3.6
207.07994	6.6
208.08777	8.8
217.06459	1.4
218.07236	20.0
219.08015	73.9
220.08691	10.4
221.06042	1.9
225.06657	3.2
225.08878	1.9
233.09630	2.6
235.07520	8.2
236.08260	17.0
237.09151	3.7
246.06686	1.9
247.07513	28.1
248.08258	3.7
249.05624	1.4
249.09023	1.7
250.07344	4.7
250.09848	1.3
251.10648	86.2
252.11169	3.6
253.06050	3.8
253.08636	7.7
261.09085	3.8
263.07101	3.5
264.07755	9.6
265.08545	4.4
266.05759	1.6
268.10977	1.5
278.06833	3.5
278.09470	1.5
279.10120	66.5
280.10834	7.3
281.08023	9.9
283.09656	1.7
283.13211	1.5
293.09094	2.2
293.13959	2.4
295.09552	1.6
296.10406	10.8
309.11017	2.3
311.12796	57.3
312.13196	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	311.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16650	1.8
50.92656	2.0
53.03926	4.6
55.01847	3.6
55.05484	5.4
57.03413	3.4
65.03929	2.2
67.05477	4.4
69.03417	20.3
69.07043	2.3
70.81816	5.3
71.04960	4.0
71.71146	2.0
77.51722	1.5
79.05482	28.2
80.05793	1.9
81.03410	30.7
81.07042	9.6
83.08554	1.8
84.43770	1.9
85.02890	14.0
89.03914	2.5
91.05478	24.7
93.07031	69.7
94.04185	3.5
94.07284	2.1
95.04922	7.6
95.08574	4.8
97.02859	7.4
97.06503	1.9
99.04423	2.7
103.05432	5.0
103.06298	1.5
105.06351	2.1
105.07012	36.6
107.04897	5.7
107.08022	1.5
107.08587	14.2
109.02881	11.2
109.06509	7.9
109.10131	2.2
111.08036	2.9
115.05399	4.8
116.06216	1.9
119.08545	9.1
120.72411	1.5
121.06470	6.1
121.10130	100.0
122.03620	10.8
122.28764	1.6
123.07999	5.0
123.11646	3.0
127.03868	5.9
128.06163	3.3
129.06932	7.3
131.04878	3.3
131.08516	10.6
133.06450	6.0
133.07535	2.1
137.05959	86.8
138.06261	3.7
139.11121	6.1
144.05621	2.9
145.10104	2.6
147.04366	2.9
147.13954	1.6
149.02280	2.7
149.05927	5.9
149.09593	50.3
155.04851	6.3
159.08006	7.2
160.73178	1.9
161.05959	15.1
165.06918	3.0
167.10614	5.8
172.05194	2.5
175.07491	4.9
180.09291	2.2
187.07516	25.8
189.06921	6.4
190.07764	22.5
191.06827	2.7
191.08533	51.3
192.08824	1.8
201.06894	1.9
205.06418	4.5
207.07985	7.1
208.08762	7.6
218.07246	17.4
219.08028	74.5
220.08615	8.5
221.05908	4.5
229.07657	2.4
233.09511	3.5
235.07448	10.3
236.08316	16.4
237.08798	2.4
247.07513	26.4
248.08148	3.1
251.10646	82.8
252.11047	3.9
253.08530	7.0
261.08932	3.4
263.07028	2.3
264.07733	10.6
265.08463	3.9
266.05481	1.8
267.10114	1.9
279.10126	68.5
280.10660	6.5
281.08041	7.6
283.13040	1.8
293.13794	16.2
293.20496	2.2
296.10367	12.2
303.63361	1.9
309.11273	2.8
311.09256	4.3
311.12643	59.1
312.12842	3.3
327.22668	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.3
55.01841	2.8
55.05478	3.7
57.03409	3.6
60.44278	1.1
65.98286	1.1
67.05483	4.3
69.03053	1.5
69.03415	21.7
69.07030	1.6
70.60332	4.2
71.04951	3.1
73.02885	2.3
75.04446	1.5
79.05477	21.8
81.03406	26.7
81.07045	9.6
83.08638	1.3
85.02887	13.3
87.04433	1.8
91.04937	1.3
91.05464	22.8
93.07026	56.4
93.70937	1.1
94.04158	4.4
95.04964	6.0
95.08569	5.0
97.02853	3.9
97.06496	1.3
99.04408	4.7
103.05406	3.9
105.07015	28.6
106.47618	1.3
107.04911	4.0
107.08576	12.7
109.02853	13.1
109.06478	6.5
109.10078	2.0
111.08020	2.6
115.05415	3.5
116.06200	2.1
119.07842	1.3
119.08559	13.2
121.06519	6.7
121.10124	100.0
122.03626	7.6
122.10429	2.3
123.08011	4.7
123.11658	2.1
125.09586	2.0
127.03840	5.3
128.06145	3.1
129.06950	4.1
131.08551	9.7
133.06412	5.3
133.07407	1.7
133.10100	1.8
135.11575	1.7
137.05952	75.3
138.06230	1.8
139.11102	4.5
141.06934	1.6
141.91615	1.1
144.05618	1.8
145.04930	1.2
145.06410	1.9
145.10052	1.5
147.04375	1.6
147.07959	1.6
148.04700	1.3
149.02284	2.9
149.05974	5.9
149.09595	54.9
155.04913	6.1
159.08047	7.6
161.05968	13.6
165.06888	3.4
167.07065	1.5
167.10625	8.0
172.05096	2.1
175.07494	3.3
179.08527	1.6
187.07509	27.0
189.06920	5.3
190.07738	20.8
191.06802	2.4
191.08524	40.6
192.08961	2.3
201.07108	1.2
202.07620	2.9
203.08549	2.1
205.06400	3.3
207.08075	5.7
208.08768	6.4
218.07277	12.5
219.07999	52.0
220.08611	7.7
221.05862	2.5
225.09094	1.4
233.09470	2.0
235.07526	8.2
236.08315	11.5
237.08910	2.0
246.06639	2.4
247.07492	26.6
248.08099	3.1
249.08972	1.6
251.10626	76.1
252.10963	4.1
253.08493	4.5
257.35101	1.2
261.09012	2.7
263.06894	2.0
264.07742	7.4
265.08490	2.8
278.09366	1.7
279.10120	59.4
280.10797	5.9
281.07947	5.9
283.09616	2.0
293.13788	18.7
296.10428	9.2
311.09497	3.2
311.12628	52.3
312.12991	2.7
334.47440	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75361	1.3
53.03936	8.9
55.01863	2.0
55.05495	4.4
57.03411	5.8
65.48855	1.3
67.05486	4.0
69.03415	19.0
69.07047	2.3
70.59307	3.1
70.59662	3.3
71.04987	2.1
73.02890	2.2
79.05476	30.6
81.03397	30.3
81.07030	6.4
85.02892	17.7
87.04490	2.4
91.05471	28.9
93.07027	99.1
94.07352	1.6
95.04932	6.3
95.08600	4.9
97.02866	7.0
97.06473	3.1
99.04433	3.4
103.05414	2.0
105.04509	1.6
105.07008	20.8
106.07843	1.6
107.04925	3.4
107.08571	21.8
109.02851	14.2
109.06507	4.0
111.08036	2.5
117.06973	2.3
119.08564	16.0
121.06475	5.0
121.10121	100.0
122.10423	2.5
123.08041	3.6
123.11672	2.7
127.03886	6.5
129.06914	1.6
131.08517	10.3
133.10109	4.5
135.11670	2.0
137.05940	7.3
139.11160	2.1
143.08533	1.5
145.10048	2.1
147.04388	3.3
147.08011	1.5
149.09584	41.6
167.10631	6.6
177.40091	1.5
187.48457	1.4
191.08501	3.0
219.07970	5.2
244.19595	1.4
247.07570	1.8
251.10675	5.1
279.10086	5.2
293.13712	9.1
311.12354	3.0
311.15402	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	311.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.1
53.26115	1.0
55.01852	3.0
55.05492	5.7
56.35942	1.0
57.03426	5.7
59.04994	1.2
65.03948	1.5
66.20860	1.1
67.05493	6.6
69.03420	25.0
69.07039	2.7
71.01321	1.3
71.04974	4.9
71.31935	3.0
73.02898	1.5
79.05485	33.3
81.03410	27.7
81.07041	9.7
81.41112	1.0
83.04941	1.3
83.08614	1.4
84.07061	1.1
85.02895	15.4
86.17284	1.0
87.04428	1.3
91.05470	25.6
93.07032	96.7
95.04958	8.7
95.08594	5.9
97.02879	7.3
97.06510	3.3
99.04430	3.7
103.05461	1.8
105.07012	24.1
107.04947	4.3
107.08582	20.6
109.02871	10.8
109.06517	5.1
109.10153	2.3
111.04414	1.7
111.08073	2.5
115.05414	2.3
116.06212	1.6
117.07011	2.7
119.08588	19.5
121.06505	5.4
121.10132	100.0
122.10457	2.0
123.08066	4.3
123.11681	3.6
125.09586	1.3
127.03902	5.6
129.07028	2.3
131.08557	10.6
133.10135	5.4
135.08084	1.4
135.11661	2.9
137.05952	7.5
137.09581	1.1
139.11121	1.5
142.07791	1.1
145.06415	1.1
145.10089	3.6
147.04367	2.4
147.08026	2.9
147.11653	2.1
148.04706	1.6
149.04942	2.4
149.09595	32.2
150.06755	1.2
150.10088	1.4
153.05516	1.5
157.10091	1.7
159.04353	1.2
159.08086	1.3
159.11656	1.1
161.05975	1.3
163.03911	1.6
163.11179	1.2
167.08548	1.3
167.10699	8.6
171.04320	1.3
172.09012	1.2
183.11716	1.4
187.07504	1.6
190.07715	1.7
191.08583	3.0
205.06563	1.5
208.04201	1.3
219.07932	3.7
235.07726	1.1
236.08380	1.5
247.07498	1.5
251.06999	3.0
251.10661	4.8
267.06427	1.5
267.13831	1.2
279.10034	5.3
282.17050	1.0
293.08139	2.5
293.13873	8.5
311.05923	1.3
311.09058	7.1
311.12766	7.2
311.15982	2.0
311.23248	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2211
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.03941	6.0
55.01865	24.3
55.05505	40.3
56.40049	1.8
57.03426	8.5
57.07060	7.3
67.05493	38.2
69.03423	11.1
69.07059	32.9
71.04977	9.0
71.70958	3.4
77.03879	2.4
79.05022	3.6
79.05480	61.7
81.03400	7.9
81.07050	60.6
83.04973	23.6
83.08611	22.5
85.02888	3.6
85.06532	1.9
89.07960	2.5
91.05470	32.9
93.07033	49.2
95.04965	16.1
95.08594	35.5
97.02888	2.4
97.06519	100.0
97.10153	28.8
99.08080	4.5
105.07012	28.6
107.04939	6.2
107.08574	71.9
109.02872	2.5
109.06486	8.5
109.10140	13.4
111.04420	9.1
111.08047	6.0
113.05962	11.7
117.07002	8.8
119.08562	17.9
121.06487	6.1
121.10137	25.6
123.08059	5.9
123.11685	3.6
125.05971	5.2
125.09615	47.5
128.06131	3.2
129.06979	10.2
131.08543	12.1
133.10100	13.6
135.08032	5.5
135.11673	12.2
137.05939	10.1
137.09531	2.6
139.11153	4.8
141.06973	9.1
143.08569	5.7
144.09340	2.1
145.06433	2.4
145.10075	11.6
147.07945	2.5
147.10474	2.1
147.11621	11.5
147.27185	2.6
149.05980	2.5
149.09602	12.5
150.06656	2.5
151.11259	2.3
153.06981	3.7
153.12756	9.7
154.07784	4.8
155.08522	5.9
157.10094	6.9
159.08057	2.8
159.11690	9.4
161.13188	2.9
163.09979	2.4
163.11073	11.1
165.06970	5.7
167.08533	6.5
167.10680	5.6
169.06432	7.5
169.10115	13.8
171.07983	2.2
171.11624	3.7
173.09605	5.4
173.13232	2.6
177.12767	7.2
178.07848	3.0
179.08508	5.3
181.06454	7.3
181.10149	3.7
181.12241	6.1
182.07178	5.2
183.08069	4.1
183.11713	6.7
184.05150	7.7
185.05939	4.3
185.09566	6.3
186.06706	4.2
187.07553	4.6
187.11188	4.7
189.11215	19.9
189.12775	3.0
190.07668	3.8
191.08556	6.9
193.09955	2.2
195.08043	6.3
195.11653	3.4
195.13629	3.1
196.08849	2.2
197.05919	2.6
197.09544	16.4
197.13007	2.3
199.07506	5.0
199.11234	4.5
201.09032	3.4
207.07983	5.3
209.09726	3.7
211.07706	2.9
211.11240	20.8
211.13162	4.1
213.09091	21.3
213.14743	2.5
214.09705	3.0
215.07146	2.6
215.10617	27.9
219.07976	6.9
221.09657	3.3
223.11290	2.8
223.13159	11.8
225.09065	6.6
227.10689	3.5
231.10080	3.2
236.08363	2.9
237.12802	3.7
238.09923	4.0
239.10556	5.7
239.14168	4.4
239.17999	3.2
241.12196	3.6
241.14420	3.0
247.07628	5.7
247.20638	2.2
251.10680	12.4
257.19028	6.6
264.11371	8.5
265.15927	2.2
267.06470	2.9
267.13818	13.6
269.11728	2.9
274.64713	2.5
275.20013	46.1
279.10129	3.4
283.16721	4.3
284.45480	2.5
293.08011	3.0
293.15442	16.4
293.21100	27.5
293.24484	3.1
311.09021	17.8
311.12720	24.3
311.16360	72.7
311.19922	6.2
311.23120	3.3
312.16605	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	311.2574
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03933	2.6
55.01851	1.5
55.05503	63.1
57.03428	23.7
57.06798	1.5
57.07067	28.2
67.05489	11.0
69.07056	65.3
69.61686	6.5
71.08624	14.2
73.02892	1.4
73.06522	1.3
73.30630	0.8
79.05479	6.4
81.07044	12.8
83.04984	1.1
83.08604	55.4
85.10181	6.1
90.06367	0.9
93.07016	7.4
95.08589	9.1
97.06528	5.6
97.10155	36.6
98.20702	1.9
107.08572	4.9
109.10125	3.0
111.08066	3.3
111.11704	11.5
121.10129	6.2
123.11697	1.7
125.09649	1.3
125.13261	2.3
135.11682	6.4
137.13156	1.1
139.08130	0.8
139.11174	2.0
149.13252	3.7
157.98364	1.0
163.14771	1.4
167.14311	1.0
169.33984	1.0
171.17204	0.9
183.10310	0.8
219.20985	1.3
237.22066	1.6
310.32666	0.9
311.25751	100.0
312.26093	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	311.2575
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03934	1.8
55.01851	3.1
55.05502	65.4
55.58277	1.0
57.03160	1.4
57.03428	24.4
57.06793	1.9
57.07065	28.7
60.93023	1.0
67.05501	12.5
69.07056	63.7
70.07384	1.1
71.08618	16.5
73.02898	1.2
74.80309	1.0
79.05487	6.7
81.07040	14.5
83.04929	1.0
83.08604	53.9
85.10159	6.1
85.65689	1.1
90.68520	1.1
91.05488	1.6
93.07030	8.2
95.08598	11.5
97.06512	5.8
97.10154	38.4
99.08019	1.4
106.12910	1.0
107.08588	6.7
109.10130	4.0
111.08064	2.4
111.11702	12.6
121.10104	8.4
123.11679	2.3
125.09616	2.4
125.13262	2.6
130.37016	1.1
135.11662	5.1
137.13322	1.5
139.11122	1.6
149.13232	4.2
163.14862	1.8
209.11691	1.3
219.20996	2.1
229.69173	1.2
262.73962	1.0
311.25751	100.0
312.26138	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2576
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
52.65928	3.4
55.01635	4.1
55.01872	60.9
55.05508	47.8
57.03429	7.0
57.07060	14.1
67.05499	70.9
69.07059	100.0
71.04984	6.6
71.08621	18.1
71.73808	3.0
76.42464	3.4
79.05474	34.5
81.07053	66.9
83.04964	15.0
83.08613	52.6
85.10176	4.0
91.05460	11.1
93.07030	59.5
95.04953	4.2
95.08595	64.6
96.08945	4.2
97.06515	14.4
97.10145	20.3
98.21442	9.4
99.08112	7.0
99.62837	3.5
105.06989	8.2
107.08582	37.2
109.10128	34.0
111.08076	9.5
111.11695	4.1
113.09583	4.2
115.54408	3.2
117.06998	7.1
119.08520	6.4
121.10130	37.9
123.11677	14.6
125.09625	10.1
131.08549	11.3
133.10107	5.2
135.04414	13.7
135.05383	3.4
135.08064	11.6
135.11676	38.1
137.09648	4.6
137.13240	9.7
145.10083	10.8
147.11603	9.2
149.09604	10.5
149.13164	6.9
151.14821	4.5
153.09082	3.7
153.12730	66.0
159.11696	6.6
161.09599	16.8
161.13268	3.6
163.11201	5.1
163.14835	4.2
167.10651	5.1
173.11745	8.0
173.13174	4.7
187.14848	4.8
197.07849	3.4
209.11737	12.8
219.21098	3.5
233.22650	17.1
237.11195	10.7
243.20993	11.0
251.23683	7.0
261.22049	26.6
279.23184	72.2
311.16263	10.2
311.25745	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	311.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	11.0
55.01854	12.2
55.05503	37.0
57.03411	10.0
57.07065	25.5
67.05486	38.3
69.03415	21.4
69.06693	5.0
69.07061	100.0
70.04427	15.6
71.04958	4.7
71.08603	11.0
79.05482	55.9
81.03408	22.6
81.07047	98.9
83.04951	10.7
83.08603	46.1
85.02881	12.5
85.06528	24.6
85.10168	3.0
89.37147	2.5
91.05469	27.5
93.07027	90.9
94.04238	2.8
95.04961	9.9
95.08595	80.0
97.02871	5.9
97.06517	49.4
97.10155	24.8
98.20766	3.2
99.04424	4.6
99.08073	29.4
103.05454	5.0
105.07003	27.1
107.04906	7.9
107.08569	46.6
109.02840	5.2
109.06506	5.0
109.10136	48.2
111.08044	20.9
111.11703	11.2
115.05438	3.0
117.06987	3.3
119.08539	16.0
121.06477	5.9
121.10123	86.8
122.10414	4.0
123.11694	35.5
125.09586	9.0
125.13205	6.5
127.03919	3.7
128.06097	3.0
129.06973	8.3
131.08533	14.3
133.10078	5.2
135.04411	3.7
135.11644	11.7
137.05948	36.2
137.13196	10.8
139.11082	2.9
141.06970	5.3
143.08507	4.6
145.06410	3.6
145.10103	6.2
147.04404	8.4
147.07977	4.1
147.11687	3.9
148.04747	4.6
149.06007	3.0
149.09598	25.3
149.13210	18.2
154.07669	3.1
157.10118	4.8
159.04344	4.3
159.11600	3.2
161.05968	3.5
163.14760	6.4
165.06883	4.8
166.07614	3.0
167.10699	4.5
167.14369	4.4
169.10080	6.6
171.11670	4.5
173.09631	3.9
173.13232	3.7
178.07823	3.1
179.08577	4.4
181.06407	4.6
181.16000	2.9
182.07304	3.4
183.07938	4.8
184.05142	4.5
185.06000	3.8
185.13087	4.7
187.07515	12.3
190.07747	5.8
191.08525	20.5
192.09142	2.8
195.07945	4.8
197.09576	6.9
197.13152	3.6
199.07520	8.4
201.09042	4.4
205.09946	3.0
208.08804	3.1
211.11124	9.5
213.09143	13.9
214.09692	5.5
214.17975	10.1
215.10645	17.9
218.07242	4.4
219.08029	18.5
220.08528	5.5
223.11057	3.6
225.09038	5.5
231.10086	4.9
235.07422	3.8
236.08302	4.7
238.09724	4.3
247.07487	8.0
248.08203	3.9
251.06877	3.8
251.10625	26.9
253.12054	3.8
264.11389	5.1
267.06454	3.3
267.13748	9.9
275.20132	3.3
279.10077	20.1
280.10760	5.1
293.08133	4.4
293.15170	9.4
293.28299	29.0
311.09042	34.4
311.12668	24.8
311.16315	39.5
311.19885	4.9
311.23578	8.8
311.29443	22.7
312.09384	4.0
312.16653	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	312.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.3
53.12645	2.0
55.01860	7.9
55.05510	2.3
56.96560	32.2
57.03421	17.2
61.02918	49.8
62.96859	2.0
64.13380	2.0
67.05505	3.5
69.03420	27.7
69.43917	10.7
69.44344	11.0
70.06575	18.2
71.04991	5.0
73.02907	25.5
79.05476	9.1
81.03407	15.0
81.07039	4.6
83.04987	2.9
84.08128	9.3
84.96021	5.9
85.02890	57.6
85.08468	3.4
86.03232	4.7
86.09726	4.4
87.04453	8.2
88.99167	2.8
91.03944	5.0
91.05458	11.5
93.07026	8.7
95.04966	9.9
95.08633	2.5
97.02884	30.8
97.06506	3.7
98.01282	2.1
98.97568	57.3
99.04441	7.0
101.00795	6.2
102.96865	2.4
103.05447	4.0
104.01263	2.9
104.10757	13.1
105.04487	2.6
107.01760	2.8
107.04939	6.8
109.02885	7.4
109.06490	2.7
110.01252	13.6
110.97522	10.5
111.04441	3.8
115.03937	2.8
116.98608	30.2
119.01834	30.9
121.06487	65.3
123.04405	4.3
124.99957	3.0
125.01769	4.2
126.02464	2.5
127.03908	16.8
128.01363	4.7
128.02293	38.1
128.98596	15.1
131.00175	3.4
131.01886	8.0
131.04881	5.0
133.01630	3.1
133.03445	9.7
133.04991	3.0
134.02368	2.6
134.03549	3.0
134.99629	10.8
135.03079	2.6
135.04356	4.0
136.07629	2.6
137.01869	3.9
137.02820	17.9
137.06004	4.1
140.02260	3.0
143.00142	4.2
143.01915	5.0
145.01604	2.8
145.03477	5.2
145.04924	8.0
146.02271	3.7
146.99666	14.9
147.04405	3.0
149.04736	4.7
149.05954	100.0
149.54932	2.6
150.03635	2.5
150.06343	11.2
151.03908	2.4
153.01250	2.9
155.01810	3.0
155.02905	5.0
157.03526	2.8
158.99619	13.6
159.05063	2.6
160.02097	2.5
160.97600	3.5
161.01248	6.7
161.02911	16.1
162.01776	8.2
162.03130	2.6
163.02669	2.8
165.00716	9.0
165.05411	2.7
167.06996	9.8
168.01810	5.4
170.01424	3.0
170.03394	7.0
170.99620	7.6
173.01315	2.4
173.02988	7.6
174.99092	5.9
175.02776	3.0
175.04623	3.6
177.00735	18.8
177.02315	5.5
177.03952	2.6
178.03058	4.9
180.08795	13.3
182.03394	4.3
183.02301	19.6
184.03014	2.5
184.97516	5.5
185.02863	4.8
186.03081	3.0
186.98985	3.1
188.97076	9.0
189.00685	16.7
189.02168	3.6
189.06071	2.4
191.02281	4.4
191.03975	7.7
192.02847	16.1
192.04659	5.6
192.54836	2.9
193.00157	4.6
200.04358	16.6
201.00690	5.8
202.09471	2.3
202.98660	8.3
203.03989	3.8
203.53552	2.9
204.02840	7.7
205.00201	9.9
206.04439	5.8
206.98134	4.9
207.01772	10.0
213.03331	57.8
213.05235	4.4
213.12312	4.3
213.53590	6.5
215.00500	4.1
215.04970	4.6
217.00284	6.5
219.01686	15.9
220.55951	2.9
221.05017	5.2
222.03810	17.3
222.05569	3.8
223.01143	4.8
223.04547	2.9
224.54111	2.7
230.57524	4.7
230.98097	9.1
231.01518	2.4
233.54660	8.0
235.01184	3.8
236.97583	2.5
237.02774	17.6
247.01244	8.1
248.99194	3.1
263.00745	6.6
275.00626	3.5
277.05582	4.1
279.09171	3.3
295.06781	17.0
305.01764	4.1
307.03546	2.6
312.08676	3.9
312.14099	5.2
312.20258	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	312.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.4
55.05483	3.1
57.03429	5.5
61.02916	7.1
69.03424	16.3
69.07066	15.1
69.96996	7.8
69.97410	6.3
70.06585	7.7
71.04987	3.8
73.02908	5.1
79.05465	2.4
80.05045	2.1
81.03403	4.9
83.01323	2.6
84.08126	2.7
85.02891	100.0
87.08105	16.0
91.03962	7.1
93.07019	3.1
97.02879	20.8
98.20841	4.3
99.04435	5.8
103.05420	4.2
109.02880	6.9
110.06036	4.6
111.04368	2.6
111.64886	2.3
122.37669	2.6
127.03887	24.5
133.08586	4.3
134.06021	3.3
136.00674	2.2
145.04930	43.6
150.05516	3.5
151.03917	5.2
163.06036	7.1
180.08659	3.4
231.09059	3.0
280.10275	3.8
306.70728	2.4
312.12729	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1276
Annotation	(Z)-4-Hydroxy-cinnamyl alcohol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.37310	0.4
53.03936	1.2
54.30651	0.4
55.01854	0.8
57.03411	0.6
62.80165	0.4
64.57816	0.4
67.05492	2.3
69.03400	1.9
70.06607	0.7
70.59438	1.8
71.04947	0.4
79.05478	8.0
81.03398	2.7
81.07037	1.7
85.02885	1.6
87.40234	0.4
91.05470	5.2
93.03384	0.6
93.07034	2.2
94.04177	0.7
94.07391	0.5
94.65481	0.5
95.04948	2.0
95.08589	3.6
97.02871	1.2
103.05427	2.8
105.07013	48.5
106.07369	0.8
107.04935	3.0
107.08569	6.3
109.02863	0.9
109.06512	2.4
109.10164	0.9
115.05427	0.4
118.04126	0.5
119.06017	0.5
119.08604	0.7
121.06493	0.9
121.10111	0.8
123.04413	1.3
123.08031	1.6
123.11714	0.7
125.05951	1.0
127.03903	0.9
133.06467	100.0
134.06801	1.5
135.04391	1.5
135.08028	29.5
137.05931	1.3
142.07826	0.5
145.06502	0.7
147.08031	1.0
149.05994	0.8
151.03871	2.0
151.07513	38.4
152.07861	0.9
163.03865	0.7
163.07561	1.1
165.05457	0.4
175.07512	0.9
189.05464	0.5
189.09216	0.6
193.04955	3.1
193.06441	0.4
193.08534	2.2
193.76508	0.4
221.06081	0.5
225.05464	0.6
277.10608	2.4
295.11755	1.0
313.07187	0.7
313.13104	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1276
Annotation	Manglieside A
Peak:m/z	Relative Intensity
51.52457	0.9
52.87955	0.9
53.03933	11.3
55.01848	4.6
55.05508	4.9
57.03431	5.6
57.07054	2.9
61.02921	6.2
65.03922	2.3
67.05138	1.2
67.05493	19.4
69.03419	21.3
69.07055	1.8
70.06567	5.1
71.01322	1.8
71.04974	6.3
71.08612	1.9
71.19700	1.8
71.20035	2.2
72.08145	1.4
73.02896	3.1
77.03925	1.4
79.05469	20.0
81.03402	65.5
81.07040	56.8
83.04958	1.8
84.04491	1.8
84.08103	2.2
85.02891	29.2
85.10162	1.3
86.09660	2.5
89.02374	4.7
91.04998	1.4
91.05467	15.3
93.07028	28.4
95.04950	9.2
95.08588	49.1
95.09204	2.4
96.37826	1.0
97.02871	8.9
97.06493	1.8
99.04449	7.2
101.02343	1.6
103.05439	10.6
105.07011	52.8
106.07355	1.2
107.04897	2.7
107.08584	5.1
109.02857	22.7
109.06518	11.3
109.10151	2.1
111.04420	3.7
117.06983	3.1
119.04942	1.4
119.08549	4.0
121.06489	3.0
121.10047	1.3
123.04438	1.7
123.08044	100.0
124.08372	2.0
125.05959	1.8
127.03899	15.7
129.07013	2.1
131.04906	3.7
131.08542	1.9
131.72643	1.1
133.06467	51.1
133.10205	1.3
134.06783	1.3
135.08005	3.9
136.06181	2.4
137.05911	1.7
137.09590	1.3
142.07811	1.4
143.08496	1.5
145.04927	1.6
145.06482	2.3
147.04430	2.3
147.08009	2.2
149.05923	1.6
151.03893	27.2
151.05025	2.3
151.07510	52.4
151.08740	2.6
151.11026	1.4
152.07941	1.2
155.03357	2.3
156.08359	1.6
159.07991	1.3
161.05901	1.7
161.09604	1.3
163.07491	1.6
163.27264	1.0
165.05472	1.1
165.06799	1.4
165.09189	1.4
166.08591	1.6
167.08502	1.1
169.04883	1.9
170.91113	1.2
173.04427	2.3
185.09535	2.0
195.07974	1.2
204.08060	2.7
210.11290	2.8
213.09100	2.1
215.04912	1.1
216.66786	1.3
231.10216	1.2
232.07587	2.4
236.06987	8.2
250.08559	9.8
277.10596	1.2
295.08078	2.9
295.11502	2.2
296.09103	6.9
298.10764	1.2
313.07117	1.9
313.12903	13.6
313.27213	5.8
314.13980	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	313.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05273	0.8
55.05502	9.0
57.03427	23.2
57.07065	61.9
67.05490	12.1
69.07052	11.4
71.04974	1.1
71.08617	40.4
71.63208	1.4
79.05497	1.4
81.06600	1.3
81.07040	15.6
83.04907	0.8
83.08604	13.7
85.06523	1.7
85.09677	1.1
85.10169	21.5
85.10679	1.1
89.06010	3.9
93.07012	1.2
95.08590	22.8
97.10153	6.1
97.40225	0.7
99.11692	1.3
103.07542	2.5
109.10130	10.3
111.11674	1.1
123.11690	5.0
125.13208	1.1
137.13226	2.4
165.16321	1.0
192.78467	0.7
206.28577	0.7
221.22461	1.0
239.23686	4.4
257.24658	4.9
307.23758	0.8
313.27310	100.0
314.27625	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28762	1.9
55.05488	8.2
57.03202	2.1
57.03429	24.8
57.06803	3.9
57.07066	67.1
67.05502	11.3
69.07048	13.9
70.89317	6.6
71.08250	3.3
71.08624	44.2
81.07034	15.8
83.08604	12.2
85.10169	24.5
89.06017	5.3
93.07009	2.0
95.08586	28.0
97.10153	5.9
103.07559	3.5
109.10140	12.1
123.11680	4.5
142.51744	2.1
147.95021	2.0
211.74934	2.0
239.23625	3.3
257.24734	6.1
298.10666	4.1
313.27313	100.0
314.13800	7.4
314.27612	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	313.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45945	0.8
55.05499	8.8
57.03427	21.6
57.07066	65.1
62.97174	0.7
67.05497	12.0
69.07051	11.4
70.96844	2.5
71.08619	40.8
72.91682	0.8
76.66874	0.7
79.05458	1.2
81.07043	16.4
82.26423	0.8
83.08601	11.8
85.09670	1.5
85.10165	22.4
89.06028	2.8
93.07018	1.0
95.08592	23.1
97.06480	0.8
97.10146	6.7
99.11741	0.9
103.07582	2.4
105.07161	0.8
109.10143	11.5
111.11668	1.5
117.09165	1.4
123.11674	5.0
132.05682	0.8
134.25964	0.8
137.13240	1.9
178.29855	0.8
212.55867	0.7
221.22722	1.1
237.09813	1.0
239.23698	3.6
257.24719	6.4
279.81155	0.9
298.27396	1.2
313.27316	100.0
314.27606	3.0
319.82605	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	10.4
57.03429	23.7
57.07067	62.3
58.07397	0.7
63.76346	0.6
67.05497	11.6
69.07055	12.2
71.08619	40.1
75.04465	1.2
79.05469	2.4
81.07043	14.8
83.08611	13.5
85.06515	0.8
85.09681	1.3
85.10173	22.7
89.06010	3.2
91.92087	0.6
93.07031	1.4
95.08595	24.9
97.10159	6.3
98.20671	1.7
99.08068	0.8
99.11691	1.4
103.07565	2.2
109.10144	11.3
111.08062	0.7
111.11718	1.5
117.09092	1.2
123.11702	4.7
135.11703	0.7
137.13184	1.3
138.73941	0.6
154.73463	0.6
174.47145	0.6
229.77911	1.0
239.23691	4.9
257.24725	6.2
298.27139	0.7
308.40390	0.8
313.27325	100.0
314.27707	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	314.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.7
57.03408	0.5
57.07047	0.4
61.01133	1.7
69.03418	2.1
69.06997	0.3
70.06574	1.1
70.14307	1.8
71.01349	0.4
71.04993	0.4
72.08134	0.6
75.02685	0.4
79.05469	1.0
81.03419	0.6
81.07044	0.4
83.04978	0.4
84.04498	0.3
84.08133	0.5
85.02882	1.3
86.09683	1.1
86.99040	0.4
87.02699	0.3
89.00661	0.3
91.05459	1.1
93.07077	0.5
94.04031	0.4
95.08563	0.5
97.02874	38.3
97.65656	0.3
98.03204	0.4
98.97588	0.4
103.02151	0.5
103.05464	1.9
105.06994	0.4
106.06490	0.4
107.04937	1.1
119.03566	0.6
121.06579	0.3
122.75540	0.3
124.07536	0.5
127.03900	0.4
129.10173	0.4
131.04924	0.9
131.15225	0.3
134.05980	6.4
135.05350	0.6
135.07999	0.3
136.06158	100.0
136.63176	0.3
137.04562	0.9
137.06491	1.0
138.06354	0.3
141.10194	0.4
143.01610	2.0
148.06171	0.9
148.07562	0.5
151.07462	0.4
152.04456	0.3
152.05638	1.4
152.07030	1.2
152.10573	0.4
157.09688	0.4
161.02670	0.8
162.07722	0.7
163.03966	0.5
164.05650	5.1
164.06915	0.6
166.08629	1.6
178.07217	2.4
179.03638	1.6
203.05698	0.3
248.07790	0.7
296.08063	3.4
298.10657	1.5
299.11526	0.4
314.09158	6.0
314.13809	6.2
314.19009	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01876	0.4
55.05494	0.4
56.96558	1.5
57.03428	0.5
57.83888	0.2
61.01139	1.3
67.02987	0.3
67.05499	0.5
69.03411	2.6
69.68108	2.0
70.06590	0.7
70.57883	0.3
73.02923	0.4
78.88325	0.3
79.05495	0.6
81.03408	0.8
81.07056	0.4
83.05003	0.4
84.08159	0.4
84.96026	0.5
85.02895	1.1
86.99026	0.4
87.02714	0.3
91.05453	0.5
94.04039	0.3
97.02878	43.6
98.03221	0.8
98.97556	1.4
99.04466	0.3
108.08103	7.6
110.97595	0.4
113.02390	0.3
114.09180	0.6
116.98611	1.1
119.03536	0.7
123.06806	0.9
124.07560	1.5
127.03954	0.5
131.01894	0.4
132.10204	0.8
134.06013	1.0
134.09599	0.6
135.04453	0.3
135.05423	0.6
136.06166	100.0
137.04572	0.8
137.06516	1.2
143.01585	2.5
146.99675	0.4
148.06187	1.1
150.00758	0.3
152.07047	6.1
152.10716	0.8
154.08624	0.5
158.99620	0.3
161.02740	1.1
162.07774	0.5
164.05659	6.1
164.06920	0.5
173.01320	0.3
177.00719	0.6
177.05899	0.3
178.07207	2.8
179.03703	1.6
189.00781	0.3
197.02924	0.5
200.58952	0.3
219.01723	0.4
220.08235	0.5
223.04695	0.3
232.08319	0.5
237.02809	0.4
248.07712	0.7
250.09450	0.6
278.06924	0.7
296.08066	2.8
296.11066	0.4
314.09067	6.5
314.12326	6.5
314.15912	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1229
Annotation	N-methylanthraniloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.05492	0.9
61.02926	0.8
62.22049	0.6
62.66301	0.7
65.03920	1.2
67.05477	1.5
69.03418	2.7
69.51371	7.2
70.06584	3.2
72.08146	1.7
79.05482	2.7
81.03395	1.0
81.07025	1.2
84.04483	2.0
85.02882	5.4
86.09715	4.1
87.04463	1.0
91.05463	13.2
93.07082	0.8
97.02895	5.5
98.06003	0.8
98.21486	1.6
103.03983	1.3
106.06535	15.5
107.04933	0.9
108.08142	1.0
109.02869	1.3
109.06509	3.0
110.06017	0.9
116.04958	3.6
116.07078	1.0
120.02031	0.7
124.07575	1.7
126.33091	0.7
127.03922	1.4
133.64806	0.7
134.05994	100.0
135.06342	1.3
136.06178	7.1
136.07216	1.0
137.05956	1.0
150.05489	0.9
152.01642	1.4
152.05974	0.6
152.07045	15.6
152.10695	1.2
153.05467	0.8
158.76509	0.8
298.10715	2.8
299.11517	1.3
314.13638	3.6
315.14120	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32999	1.2
55.01852	1.1
56.05027	1.1
56.96547	1.1
57.93133	1.2
65.03930	1.7
69.03407	3.0
70.06572	3.6
71.04967	1.3
72.08157	1.9
79.05481	2.2
81.03352	1.2
84.04507	1.5
85.02872	7.4
86.09672	5.8
91.05470	13.6
91.78349	1.3
95.04961	1.9
97.02884	7.4
106.06539	13.9
106.56913	1.2
107.04935	2.0
107.08556	1.8
108.08121	1.9
108.17178	1.4
109.02857	1.8
109.06508	5.0
110.06050	1.9
116.04962	2.5
119.06028	1.6
126.75175	1.2
127.03933	1.8
132.08098	1.1
134.05997	100.0
135.06381	1.3
136.06172	11.3
137.05986	1.5
152.07048	15.3
152.10678	5.0
157.09711	1.6
180.99384	1.2
200.58833	1.2
219.98532	1.3
296.11441	1.2
298.10715	3.5
299.11484	2.0
314.14044	9.0
314.27609	1.3
315.13928	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1045
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
52.01167	0.7
55.01848	0.8
69.03409	2.0
70.00763	0.7
70.06573	1.9
70.48759	1.8
70.49156	1.5
72.93787	0.9
79.05498	0.9
81.03413	0.9
82.06566	2.0
84.08139	1.2
85.02876	2.0
86.09708	1.2
91.05449	1.9
95.04987	1.3
95.22068	0.8
96.04469	1.3
97.02884	1.9
103.05435	0.9
107.04998	1.0
119.01937	0.9
127.03909	1.3
135.08026	1.8
139.05017	2.2
151.07573	1.1
153.06610	0.9
153.09097	1.9
154.31523	0.8
164.07072	1.1
165.77473	0.8
168.72580	0.9
169.06049	1.8
185.04254	1.3
193.06082	1.9
195.07657	1.2
221.04944	1.0
223.07117	3.4
225.06165	0.9
279.09940	1.0
285.08221	2.0
315.10452	100.0
316.10776	3.0
316.14084	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1221
Annotation	Magnaldehyde C
Peak:m/z	Relative Intensity
55.01859	3.1
67.05496	5.9
69.03433	4.3
70.21872	16.0
79.05485	8.4
81.03427	3.9
81.07053	16.0
85.02910	9.3
91.05482	13.0
93.07046	10.8
95.04961	11.0
95.08591	3.7
97.02895	4.4
105.07025	21.7
107.04958	7.2
109.06494	13.9
111.04404	3.6
115.27319	3.8
119.05001	5.4
119.08621	3.8
121.06506	9.1
127.03879	4.3
128.06227	4.7
129.06979	4.6
131.04929	49.3
132.05699	100.0
133.06479	34.5
135.08067	9.3
137.06012	7.6
141.06891	4.5
142.07820	4.0
145.06485	34.2
147.04411	4.7
149.05943	32.0
153.07016	3.7
153.09082	6.0
155.08548	11.0
159.04433	8.6
161.05981	11.0
165.05594	6.7
165.06949	31.8
166.07787	9.6
167.08571	9.4
169.10136	5.6
178.07715	5.2
179.08562	12.1
180.09314	18.4
181.06546	4.7
181.10187	7.5
182.07245	7.6
183.08040	11.0
185.09607	3.4
193.10057	5.4
195.08061	5.9
195.11691	25.2
196.08922	4.1
197.09605	8.7
199.07477	4.7
207.08032	7.9
207.38356	3.1
208.08817	11.6
209.09634	7.0
211.07527	9.0
213.09140	3.9
213.12794	7.4
218.07262	3.7
221.05893	8.7
223.11156	41.3
224.08305	6.4
225.09093	11.8
226.09752	8.1
233.09592	4.3
235.07484	7.9
236.08351	20.1
237.09100	7.6
239.06854	3.7
239.10652	4.2
240.11522	8.2
241.12288	10.1
242.09364	3.7
250.09792	8.1
251.10664	54.6
254.09236	6.1
255.10083	3.5
264.07742	3.7
268.10968	4.4
269.11722	39.5
279.10153	40.7
297.11194	45.5
315.12216	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81096	0.6
55.01844	0.9
55.05476	0.9
57.03429	0.6
57.08903	0.5
59.21260	0.5
65.03905	1.5
67.05495	3.0
68.09581	0.5
69.03417	1.0
69.07047	1.3
70.13758	3.1
79.05452	1.8
79.55550	0.5
80.81098	0.5
81.07011	2.1
83.04922	0.9
91.05446	2.2
92.04967	1.7
93.03350	0.7
93.07030	1.4
94.06560	0.7
95.01297	0.5
95.04951	1.4
95.08570	2.2
97.06487	2.5
98.21349	1.0
103.05460	0.7
105.06995	1.9
106.57542	0.5
107.04922	1.0
107.08575	1.1
108.04466	0.6
109.02805	1.2
109.06545	0.6
109.10120	1.1
111.08033	0.6
115.05423	0.7
117.07011	1.1
119.08556	1.4
120.04465	3.4
120.52702	0.5
121.10091	1.1
122.05978	1.1
126.44920	0.7
128.06148	0.6
129.07022	0.9
131.04878	0.9
131.08521	0.8
133.10091	0.8
134.06012	0.6
135.04321	0.6
135.08012	1.2
136.07565	2.7
137.05951	1.2
141.01723	0.9
141.06898	0.9
142.06464	0.6
143.07281	0.8
143.08487	1.6
144.08052	1.2
145.10056	1.2
146.06015	0.6
147.11610	0.7
148.03903	3.0
149.05954	0.8
149.09579	0.7
151.07535	0.7
152.06181	1.2
153.01787	1.4
153.06975	0.8
154.06514	1.4
154.07762	1.3
154.61760	0.6
155.08473	1.2
156.08035	1.0
157.08862	0.6
157.10071	1.2
159.11700	1.0
160.33046	0.5
161.05891	0.7
161.07079	1.0
162.05476	2.0
163.03864	0.9
165.01840	2.6
165.06956	2.2
167.07211	2.5
167.08476	1.3
168.08029	2.8
169.07584	0.8
169.08894	1.4
169.10126	1.6
170.08334	1.9
170.09631	1.0
172.07561	1.0
173.08311	1.0
182.09618	3.4
183.02881	4.1
183.06683	0.9
183.09149	2.1
184.07585	1.4
184.09732	2.7
184.11395	2.7
185.10675	1.6
186.09154	1.2
187.08604	2.1
189.10341	0.9
194.09732	0.9
196.07549	1.1
197.06961	3.8
197.08620	0.9
198.07671	6.5
198.09186	1.6
199.08521	1.3
199.12300	7.7
201.09102	0.7
209.10518	0.6
210.09126	12.5
211.08578	7.9
212.09180	12.1
212.10919	2.4
213.10181	8.4
222.07916	0.7
225.06538	3.3
225.10152	1.0
226.07149	5.2
226.10780	0.9
227.08116	1.5
227.11754	28.0
237.10179	2.3
238.08519	4.5
239.08070	3.2
240.08908	14.6
241.09692	35.2
253.09622	1.0
254.10493	1.0
255.11255	100.0
256.11594	2.3
257.04407	1.5
266.07834	0.8
269.08075	1.7
283.10736	82.2
284.11014	2.6
285.03925	3.5
287.05463	1.2
297.07477	0.9
313.03452	1.7
315.04965	22.4
315.08524	1.8
315.13068	8.3
315.19440	1.0
315.23328	1.7
315.26727	0.6
316.05353	1.3
331.04538	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08578	2.3
53.03940	5.2
55.01842	5.4
55.05491	5.4
55.88110	2.8
56.96572	3.1
57.03421	8.0
57.07056	4.0
57.91064	2.9
61.02913	7.3
65.27600	3.0
67.05485	11.5
69.03421	22.9
69.07063	7.2
70.06576	10.2
71.01369	3.2
71.04980	8.0
71.69627	4.7
72.08141	6.9
73.02909	6.0
79.05486	16.2
81.03403	9.4
81.07052	18.3
83.04980	4.7
84.04477	3.2
84.08104	5.5
85.02891	43.0
85.06525	4.3
86.09678	10.6
87.04474	3.1
91.05438	15.6
93.07033	23.0
95.04929	9.1
95.08591	100.0
97.02870	36.8
97.06510	7.2
98.03202	12.1
98.97623	3.0
99.04465	5.6
103.05459	4.6
105.07011	17.7
107.04952	9.2
107.08575	42.5
109.02856	8.3
109.06502	10.1
109.10142	6.1
111.04439	4.1
115.03938	4.0
116.07116	3.1
119.07309	24.4
119.08585	12.1
121.06516	4.0
121.10121	12.0
123.04395	3.9
123.08021	5.6
123.11695	10.7
127.03912	7.5
129.05475	3.0
129.10217	5.1
131.04898	4.6
131.08553	6.2
133.06471	3.6
133.10127	6.8
134.05969	7.7
135.06784	3.6
135.08031	18.9
135.09154	9.5
135.11673	33.2
136.05142	2.9
136.06157	46.4
137.06667	19.5
137.09569	10.6
137.13219	21.8
141.24953	2.9
145.04985	6.5
145.10100	5.4
149.09576	4.3
151.07541	3.0
151.11195	7.9
153.05464	3.4
153.09097	16.0
153.10229	4.8
153.12712	16.4
154.08597	7.8
157.10143	4.5
159.11674	4.2
161.06026	4.1
161.09747	4.0
163.07596	4.1
165.07065	3.8
165.12753	4.4
205.06693	4.0
254.11810	3.6
269.12946	5.6
287.09467	3.5
297.11557	4.7
297.16766	4.2
298.10657	4.2
315.04932	4.0
315.09146	5.2
315.14096	17.8
315.19608	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	315.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.6
55.01861	8.2
55.05490	16.0
57.03415	10.9
57.07064	6.6
58.78643	4.0
67.05500	30.8
69.03420	26.8
69.07042	14.8
70.30002	13.5
70.30415	8.2
71.04980	25.6
79.05479	34.1
81.03418	27.1
81.07044	44.3
83.04948	9.7
83.08601	6.3
85.02468	4.5
85.02902	63.2
85.06513	8.3
87.04414	4.9
89.12289	4.8
91.05469	28.0
93.07037	74.8
95.04926	14.0
95.08607	42.5
97.02899	21.6
97.06494	14.5
99.04414	7.8
103.03945	9.3
103.05443	5.5
105.07021	34.5
107.04924	7.4
107.08577	100.0
108.02549	4.0
109.02853	9.4
109.06502	21.2
109.10126	31.0
111.04414	7.8
111.08044	7.9
113.09621	7.1
115.05450	7.8
117.06967	9.0
119.08585	38.2
121.06483	8.1
121.10122	17.3
123.04395	12.4
123.07996	5.3
123.11649	5.3
125.05978	6.7
125.09551	4.6
127.03883	10.3
129.06946	5.6
129.09094	11.7
131.08545	16.4
133.05066	3.6
133.06403	6.1
133.10114	14.5
135.04398	5.4
135.08043	7.9
135.11676	75.0
137.02290	11.7
137.05969	4.1
137.09618	7.5
139.78210	4.8
143.08482	11.4
145.10091	15.3
147.08022	8.6
147.11653	17.3
149.13246	5.3
151.11151	10.1
153.12712	28.7
155.06987	4.5
157.10063	10.6
159.11679	10.0
161.05980	4.9
161.13152	4.9
163.03874	12.5
163.11140	10.3
165.12772	19.8
173.09546	5.3
175.11150	10.0
177.12701	8.0
183.11646	5.3
189.12740	5.9
193.12325	4.4
201.12811	4.0
204.58318	4.0
206.79863	4.1
222.52310	4.4
223.07471	5.3
231.13741	7.2
243.13753	6.5
249.14713	5.2
251.06894	4.3
261.14743	11.8
279.15994	8.9
297.17114	8.9
315.05045	32.3
315.18030	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.8
55.01854	1.1
56.96555	11.1
57.03422	2.2
59.68209	0.5
61.02925	2.5
65.03915	1.2
67.05494	4.0
69.03409	5.8
70.06570	1.4
70.98109	0.5
71.01325	0.6
71.04967	1.1
71.19251	0.9
71.19594	0.6
71.95242	0.9
72.08160	0.6
73.02899	2.2
74.97581	0.5
77.00918	0.5
79.05479	3.1
80.04993	0.6
81.03404	4.7
81.07055	3.2
83.04971	1.2
84.04473	0.6
84.08123	1.7
84.96021	1.5
85.02890	9.4
85.06548	0.5
86.09708	0.6
87.04441	1.7
88.99097	0.8
91.03941	0.6
91.05456	8.9
93.05759	1.3
93.07049	0.6
94.81593	0.5
95.04935	2.4
97.02875	7.0
97.06484	0.5
98.03196	0.5
98.97562	7.4
99.04427	1.1
101.00871	0.9
106.06552	1.0
107.04921	1.4
107.07353	0.7
108.08105	9.4
109.02868	1.7
109.06485	2.2
109.08395	0.7
110.97533	0.7
111.04426	1.6
116.98610	5.8
118.06517	1.9
119.01921	5.0
119.04932	4.6
120.01934	1.1
121.01551	0.6
121.06467	1.1
122.07102	0.7
123.04424	1.9
123.06726	1.2
124.07574	1.1
127.03931	2.4
128.02452	0.5
128.98587	3.2
129.10190	0.6
131.00166	1.0
131.01845	2.6
132.02002	1.6
133.01666	0.8
133.03404	1.2
134.05948	0.7
134.99637	2.4
135.04362	0.9
135.06155	0.6
136.07553	100.0
137.02907	1.2
137.05952	29.8
138.05486	0.7
138.09126	1.5
143.00153	0.6
143.01889	1.9
145.01691	0.6
145.03462	1.1
145.04913	0.8
146.99626	2.7
147.01363	0.8
147.03200	0.9
147.04288	0.6
147.70663	0.5
149.02887	1.8
149.04832	0.5
149.05919	1.2
152.05692	1.4
152.07030	1.7
154.08601	54.7
156.39212	0.4
157.03468	1.0
158.04903	1.0
158.99670	1.3
159.03088	0.5
160.06451	0.9
161.01239	0.9
161.02913	2.5
162.03195	0.6
162.99190	0.6
163.00858	0.4
163.04338	0.5
164.07004	0.7
165.00658	0.7
165.05428	0.6
165.07387	2.1
167.00160	0.5
167.06990	0.5
169.03384	1.3
170.03569	0.9
170.05063	0.9
170.99638	0.6
171.01364	0.5
171.05057	0.9
172.08203	0.7
173.01245	0.9
173.02914	1.5
174.99113	0.5
175.00740	0.5
177.00691	2.4
177.04251	0.7
178.07384	0.5
179.02316	0.5
181.01668	0.7
181.03427	0.5
185.01218	0.9
185.02792	0.8
187.04434	0.7
188.97021	0.8
189.00702	1.2
189.02432	0.7
190.09192	0.8
190.98587	1.4
191.02280	0.6
191.03970	0.5
192.04117	0.6
195.03186	0.6
197.01244	1.0
197.02838	0.7
198.03116	2.0
199.02698	0.9
201.04185	0.7
203.02328	1.1
203.04015	0.7
205.00200	0.7
206.03654	0.9
206.06943	1.7
212.04753	0.7
213.00710	0.9
214.09222	0.7
215.00337	0.6
215.02133	1.2
219.01772	2.0
221.05106	0.8
223.04507	0.9
224.04620	1.4
224.07956	4.1
226.05945	1.8
232.99629	0.7
237.02843	2.9
239.02159	0.6
256.04877	1.2
257.01361	1.3
274.06000	1.7
274.97498	1.2
275.02396	0.7
284.06503	0.6
284.57156	0.6
292.98712	0.7
299.04504	0.5
301.07953	0.6
302.05359	0.9
305.11029	0.8
316.13831	60.6
317.14240	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0651
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
51.73112	0.1
55.24529	0.1
59.71783	0.1
65.03925	0.8
67.05495	0.1
68.19174	0.1
68.99782	0.6
69.07031	0.1
71.31046	0.2
71.31387	0.3
77.86393	0.1
81.07031	0.3
88.51301	0.1
92.02610	3.3
93.02844	0.2
93.03389	2.7
94.04150	0.2
95.01267	0.2
95.08604	0.2
108.02011	0.2
109.02843	0.2
111.00774	0.3
117.06964	0.1
120.02068	0.3
121.02853	2.2
122.03660	0.3
122.85426	0.1
123.04398	0.2
124.01548	0.2
124.05179	0.2
126.03107	1.3
130.66615	0.1
137.02280	0.6
137.05884	0.2
139.03891	1.6
145.06465	0.2
145.44783	0.1
149.02303	0.2
150.03053	0.2
151.03864	1.5
151.07588	0.1
151.08862	0.2
152.01013	0.2
153.01802	17.8
154.02135	0.2
155.04880	0.3
159.04404	0.2
163.03871	0.4
165.01811	1.1
166.02617	0.3
170.02103	0.2
173.05977	0.5
176.04617	0.2
177.01837	0.3
177.05450	0.4
179.03352	0.3
183.02879	0.3
183.04393	0.4
187.03836	0.4
189.05362	0.2
190.06229	0.3
192.04065	0.2
194.02147	0.1
200.04660	0.8
201.05420	1.9
203.03381	1.7
204.04140	0.2
206.52815	0.1
207.06113	0.2
211.03821	0.2
217.04944	3.5
218.05742	1.3
219.02759	0.6
228.04131	3.6
229.04932	7.3
230.05502	0.3
231.02884	1.1
232.03589	0.3
237.64777	0.1
239.03358	0.2
243.06587	0.3
245.04398	3.5
246.05202	3.0
256.03696	0.7
257.04434	4.3
258.04944	0.3
260.03113	0.8
261.07602	0.5
271.06006	0.5
273.03879	3.3
274.04678	7.5
275.05267	0.2
284.03110	0.8
285.03897	8.8
286.04480	0.4
287.01877	0.2
288.06247	0.4
301.03409	0.5
302.04166	23.5
303.04556	0.9
317.06509	100.0
318.06866	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	317.065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.4
55.05482	0.5
65.03915	0.8
67.01845	0.2
67.05477	0.7
68.99770	0.7
69.03408	0.4
69.07036	0.6
70.44289	0.9
71.04975	0.3
78.67350	0.2
79.05476	0.5
79.84380	0.2
81.03395	0.5
81.07051	1.1
85.02898	0.3
85.05331	0.2
85.06516	0.2
91.05463	0.3
92.02605	4.0
93.02847	0.2
93.03387	3.2
93.07007	0.7
95.04928	0.3
95.08578	0.9
97.02879	0.4
97.06503	0.3
99.08055	0.2
105.03349	0.2
105.07008	0.6
107.04982	0.2
107.08546	0.6
109.02859	0.8
109.06480	0.5
109.10108	0.5
111.00790	0.5
117.07013	0.3
119.08499	0.4
121.02849	2.3
121.06501	0.4
121.10091	0.3
122.03628	0.4
123.08028	0.2
126.03094	1.7
131.04916	0.3
133.02808	0.2
133.10149	0.3
135.08020	0.4
135.11732	0.3
137.02293	0.6
137.05931	0.4
137.09631	0.2
137.13199	0.2
138.03020	0.2
139.03867	1.8
143.08562	0.2
145.06474	0.4
145.10004	0.3
147.07959	0.2
149.02289	0.2
149.09566	0.3
150.03033	0.2
151.03902	1.5
153.01802	19.5
154.02083	0.2
155.04857	0.5
157.10091	0.2
159.11603	0.2
163.03877	0.3
165.01775	0.9
166.02638	0.3
170.02029	0.2
172.05124	0.2
173.05965	0.5
177.05424	0.6
179.03348	0.4
183.02898	0.4
183.04358	0.4
184.05124	0.2
187.03877	0.4
190.06161	0.5
192.04166	0.3
193.06340	0.2
200.04646	0.6
201.05453	2.0
203.03345	1.8
217.04930	2.8
218.05693	1.4
219.02916	0.9
228.04126	3.5
229.04921	8.9
231.02879	1.5
232.03497	0.3
233.04428	0.2
239.03339	0.2
243.06427	0.5
245.04404	4.6
246.05183	3.7
253.08809	0.3
256.03693	0.6
257.04428	4.7
257.09015	0.3
258.05023	0.2
259.02295	0.2
260.03070	0.7
261.07510	0.5
271.05835	0.3
273.03873	3.6
274.04669	8.4
284.03137	1.0
285.03885	8.1
286.04562	0.4
287.01852	0.3
288.06293	0.4
299.09491	0.5
299.20099	0.2
301.03464	0.5
302.04163	24.3
303.04535	0.6
317.06506	100.0
318.06851	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0651
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
55.05484	0.4
60.27421	0.2
67.05494	1.6
69.07040	0.7
71.04965	0.3
71.70171	0.3
71.70596	0.3
77.74949	0.2
79.05459	0.8
81.03383	0.3
81.07040	1.4
83.04926	0.2
83.08576	0.3
91.05447	0.9
93.07020	1.3
95.08580	1.8
97.06492	0.9
102.05495	0.3
105.07002	0.9
107.08564	1.0
109.02901	0.2
109.06490	0.5
109.10111	0.8
111.30421	0.2
113.09634	0.4
119.08542	0.6
121.06445	0.5
121.10132	0.5
125.05938	0.2
129.06993	0.3
131.04912	0.4
131.08548	0.6
133.10130	0.5
135.08009	0.4
135.11612	0.4
137.05931	0.3
137.09596	0.2
142.07751	0.2
143.08485	0.3
145.10085	0.5
147.11655	1.0
153.01785	1.7
157.06482	0.3
159.11674	0.2
165.05482	0.3
167.06079	0.3
171.11670	0.2
173.13228	0.3
175.07457	0.2
180.45673	0.2
185.07101	0.3
192.04153	0.5
193.08496	0.2
194.67653	0.2
197.05922	0.4
200.04611	0.6
203.03329	1.2
203.07043	0.5
213.06606	0.2
217.04901	0.9
218.05678	0.4
228.04112	1.4
243.06667	0.3
245.04552	0.3
273.03833	1.8
274.04681	39.8
275.04907	2.2
281.24762	0.3
299.09662	0.3
299.20163	0.3
302.04172	44.2
303.04547	2.3
317.06516	100.0
318.06851	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	317.1593
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
53.03930	1.6
55.01855	1.5
55.05494	1.4
56.69799	0.6
57.03425	4.1
59.04959	0.9
61.02920	5.7
67.05496	6.6
69.03421	16.7
69.07065	1.7
70.06565	1.6
71.04975	2.4
71.09425	1.3
71.09782	0.9
73.02906	2.7
78.45760	0.6
79.05474	2.5
81.03413	6.1
81.07050	1.6
83.01344	0.9
83.04922	0.6
84.04470	0.7
84.08145	0.7
85.02898	35.5
86.09701	1.4
87.04469	3.5
91.03926	2.4
91.05461	2.5
93.07036	16.0
94.07353	0.6
95.04977	0.9
95.08595	46.4
96.08902	0.7
97.02891	11.9
99.04453	3.4
105.07014	1.4
107.04952	0.6
107.08565	1.4
109.02872	4.8
109.06490	1.3
109.10153	3.4
111.04428	0.6
119.08544	3.1
125.09629	1.0
127.03906	8.4
137.05916	0.9
137.09604	7.0
145.04938	8.2
151.07498	0.6
155.10655	100.0
156.11090	1.5
161.09554	0.8
163.42178	0.7
230.15799	0.6
234.31972	0.7
287.10147	1.5
288.10962	0.6
299.10214	1.6
317.11923	7.2
317.15408	1.2
317.21240	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.8
55.01858	10.5
55.05505	24.6
55.51617	3.9
57.03419	13.6
59.04990	6.0
59.94603	4.5
61.02922	9.6
61.53504	3.8
67.05492	28.8
69.03418	32.8
69.07061	49.2
70.95249	9.7
71.01354	6.2
71.04982	10.2
74.06925	4.7
79.05478	23.8
81.03412	36.8
81.07044	100.0
83.04968	12.0
83.08604	21.3
84.08130	5.6
85.02886	28.4
85.06522	21.8
86.09689	12.6
91.05444	15.9
93.07034	38.3
95.04942	26.9
95.08605	47.9
97.02875	32.5
97.06513	20.6
99.04444	9.5
99.08082	30.9
103.03944	6.7
105.07039	33.9
107.04939	7.3
107.08567	27.2
109.06492	18.5
109.10131	16.6
111.04445	7.0
111.08054	15.8
111.11703	11.6
119.08588	22.7
121.06481	14.9
121.10094	12.3
123.04420	16.2
123.08054	6.4
123.11681	11.9
127.03932	5.7
129.09079	7.8
131.08571	9.1
133.06485	6.0
133.10133	13.8
135.08057	12.8
135.11626	7.3
137.04924	4.1
137.05951	9.0
137.09596	9.4
137.13225	9.4
139.11125	8.9
141.05469	8.8
143.08504	7.6
145.10095	8.4
147.08046	9.3
147.11655	15.4
149.13235	15.5
151.07500	8.6
153.12700	28.1
155.10637	10.2
157.10193	6.2
159.08018	4.5
159.11676	15.5
161.09637	5.7
161.13229	14.1
163.14807	5.3
165.06966	4.9
165.12718	9.9
173.13249	8.0
175.07474	4.8
177.12727	8.2
179.14299	10.2
189.12756	5.9
191.14247	5.8
195.13754	7.4
203.14297	7.2
207.59087	4.1
215.14146	5.0
221.15398	13.4
233.15338	7.0
239.16383	18.3
245.15166	7.1
251.16434	13.5
253.08568	7.0
263.16333	13.6
267.06381	5.3
279.28488	4.0
281.17419	15.7
299.05646	5.0
299.09192	13.0
299.18536	5.7
317.06598	8.2
317.10727	7.0
317.19522	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	317.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74957	3.7
55.01852	13.1
55.05502	32.3
57.03412	5.4
57.07068	3.7
61.02899	7.0
67.05491	27.4
69.03422	31.0
69.07053	46.5
70.28900	12.0
70.29292	9.0
71.01345	5.7
71.04975	10.6
73.02888	7.4
73.06527	3.6
77.76360	4.0
79.05483	20.1
81.03411	38.0
81.06605	7.1
81.07047	100.0
83.04966	13.1
83.08604	28.5
85.02889	21.4
85.06523	15.3
91.05475	17.9
93.07016	46.3
93.07526	5.7
95.04949	24.3
95.08591	59.9
97.02885	29.0
97.06524	21.4
98.20753	4.4
99.04454	8.8
99.08065	41.5
103.03965	9.2
105.06995	33.7
107.08556	31.8
109.02840	6.1
109.06486	27.2
109.10158	13.6
111.04427	9.8
111.08065	10.0
111.11710	15.1
113.09643	8.1
117.07034	5.8
119.08579	20.7
121.06490	13.3
121.10123	16.4
123.04406	18.1
123.08048	12.0
123.11681	13.8
125.09685	5.3
131.08583	8.7
133.06508	4.2
133.10103	10.9
135.08064	15.1
135.11684	9.9
137.13223	9.8
139.11148	7.2
141.05441	9.2
142.38182	3.8
143.08592	10.9
145.04778	4.2
145.10133	7.5
147.07948	5.4
147.11687	20.8
149.13205	22.9
151.07452	6.6
153.01778	10.8
153.12726	33.1
157.10153	7.7
159.11673	15.2
160.05534	4.1
161.13258	16.5
163.14809	7.3
165.12718	14.4
177.12775	7.9
179.14304	8.8
189.12724	6.5
191.14270	7.8
203.14323	7.3
209.15303	4.1
221.15294	11.2
223.24498	4.4
224.31247	4.1
229.04901	5.0
233.15314	9.4
239.16425	17.6
245.15337	9.8
251.16328	8.6
263.16470	13.8
267.06482	4.1
274.04602	5.4
281.17499	11.9
285.03839	4.8
299.09064	7.1
299.18466	8.5
302.04108	15.6
317.06628	44.2
317.10016	7.9
317.19693	4.8
318.06992	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2106
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
50.76691	2.7
54.70788	2.1
55.01857	2.6
55.05509	15.5
57.03428	2.5
57.07050	10.1
59.04987	6.1
65.03924	3.1
67.05497	61.3
69.03406	6.3
69.07053	8.1
69.56078	21.4
70.06560	5.0
71.04967	5.4
79.05476	9.2
81.07045	33.2
83.04975	3.2
83.08592	5.5
85.06503	2.6
88.07644	10.6
91.05476	17.7
93.07026	25.1
95.04948	29.8
95.08601	26.8
97.06505	9.4
101.81753	2.1
102.09145	6.4
105.07021	17.2
107.08588	51.2
108.05729	2.9
109.06508	20.8
109.10144	100.0
110.10457	2.7
111.07995	2.7
111.69527	2.2
112.46194	2.2
117.06972	5.0
119.04955	2.3
119.08562	70.4
121.06477	7.2
121.10157	10.7
123.08053	28.2
125.05959	3.7
131.08540	7.6
133.06500	4.1
133.10112	14.4
135.08083	13.6
135.11717	3.7
137.05945	4.0
137.09595	80.1
139.07489	4.8
142.07721	3.0
143.08514	5.9
145.10103	10.5
147.07991	5.7
147.11655	5.6
149.09610	7.9
151.07518	74.1
153.05446	6.1
156.09323	2.8
157.10120	7.0
159.08026	3.2
159.11685	8.0
161.09619	11.9
161.13266	2.9
163.11157	7.0
165.09062	9.1
169.10091	2.3
171.11658	8.4
173.09624	3.4
173.13214	5.3
175.11201	3.0
177.09079	3.7
181.08537	7.1
181.12151	5.0
183.11600	2.8
185.13338	2.2
187.26337	2.0
189.12706	41.1
191.10651	2.9
191.14236	3.2
199.11180	2.8
203.14204	4.1
207.13776	37.5
215.14314	4.8
217.12173	3.4
217.15659	3.0
219.13762	3.6
219.24429	2.4
221.15298	5.1
233.15329	2.9
237.14850	6.5
243.13876	10.8
256.26379	18.7
259.16708	3.2
260.44174	2.2
261.14868	4.2
281.18854	4.2
299.20020	14.0
317.21075	85.3
318.21307	3.6
318.30011	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	317.2106
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
52.48975	2.2
53.03943	4.5
55.01863	3.7
55.05500	17.7
57.07055	8.1
59.04980	7.3
60.14591	2.5
66.06503	3.1
67.05148	3.1
67.05493	62.1
69.03397	7.1
69.07056	10.2
69.37751	2.5
69.56979	2.4
70.06567	3.5
70.23062	5.1
70.23447	5.6
73.94622	2.3
79.05470	16.4
81.07042	44.2
83.04948	4.7
83.08597	7.8
84.60726	2.6
85.06515	4.4
88.07616	6.2
91.05470	18.8
93.07034	22.2
95.04960	35.6
95.08588	32.0
97.06496	8.8
102.09151	2.5
105.07014	20.4
107.04913	3.6
107.08577	53.7
109.06516	23.1
109.09403	4.9
109.10143	100.0
117.06969	6.5
119.08569	62.5
121.06466	8.2
121.10139	13.1
121.46570	2.3
123.08045	33.1
126.72497	2.4
129.06987	3.9
130.07724	2.4
131.08528	7.0
133.06487	4.6
133.10120	17.7
135.08012	11.1
135.11662	5.1
137.05968	3.5
137.08586	5.2
137.09593	77.2
139.07498	5.1
141.06961	3.1
142.07774	3.7
143.08568	7.0
144.09235	3.1
145.10121	14.9
147.08049	6.3
147.11624	6.9
149.09566	9.7
149.13159	2.9
151.07513	75.1
153.05418	3.7
156.09325	7.0
157.10107	7.7
159.07980	3.8
159.11659	5.3
161.09612	15.0
163.11147	7.0
165.09074	10.6
167.07091	4.0
169.10138	3.4
171.11664	5.3
173.09676	5.4
173.13144	2.9
175.11060	3.6
177.09094	6.9
179.10579	3.0
181.08511	7.6
181.12190	3.0
183.11659	6.0
185.13184	3.1
187.11104	2.9
189.12720	33.4
191.10565	4.0
197.13200	3.3
198.97163	2.8
199.10994	3.1
201.12794	3.6
203.14185	5.1
203.86435	3.0
207.13744	29.8
213.16264	4.0
215.14243	5.3
217.12248	3.6
221.15331	9.7
233.15442	2.9
237.14841	8.4
243.13763	11.6
256.26337	10.0
259.16827	3.7
261.14789	2.7
273.31369	2.7
281.18933	4.5
299.20078	11.6
317.21048	96.6
317.28879	3.4
318.21384	4.5
318.29968	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2105
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
51.38799	3.3
55.01849	4.4
55.05505	19.5
56.05022	12.5
56.74276	3.3
57.05385	3.7
57.06835	2.9
57.07068	25.0
58.07399	4.7
59.04996	3.8
60.04509	6.6
65.03942	5.8
67.05492	55.9
69.03409	6.3
69.07063	60.9
70.06569	11.7
71.08606	9.5
71.71526	6.0
74.06072	25.7
75.06414	5.1
79.05476	24.3
81.03416	5.1
81.07050	59.6
83.04974	4.7
83.08614	5.5
85.06551	3.9
85.10194	5.3
88.07620	70.5
89.07939	15.0
91.05467	22.1
93.07029	35.8
95.04952	11.0
95.08595	81.2
97.06513	11.1
105.07020	43.5
105.07677	5.1
106.08646	17.9
107.04916	3.7
107.08553	47.7
107.09103	3.1
109.06509	10.5
109.10133	68.6
110.10495	5.4
111.04459	21.3
111.08071	5.2
117.06991	10.4
119.08556	69.5
120.06596	3.6
121.06491	10.0
121.10131	25.9
123.08078	22.3
123.11685	25.9
128.06244	5.5
129.06996	4.7
131.08517	19.2
133.06526	5.5
133.10107	35.4
135.08051	12.7
135.11682	14.4
136.86661	3.3
137.05959	4.2
137.09598	45.7
137.13228	26.6
138.71623	3.6
141.06972	4.6
142.07739	5.6
143.08563	12.3
144.09261	4.3
145.10112	29.6
147.08035	19.8
147.11665	24.7
149.09586	6.6
149.13261	6.1
150.77858	3.6
151.07552	7.6
151.11159	15.2
153.09113	4.0
155.08511	8.8
156.09264	3.7
157.10114	13.4
159.08029	7.1
159.11679	22.0
161.09604	8.4
161.13217	13.6
162.87852	3.8
163.11163	5.0
165.09122	6.1
169.10143	8.4
171.11682	15.6
173.09616	9.8
173.13249	15.5
175.07480	5.2
175.11116	6.8
175.14748	6.0
177.09137	4.8
182.10800	4.4
183.11700	4.0
185.13237	7.6
187.11086	8.5
187.14795	10.0
189.12741	6.9
189.16331	6.0
197.11519	3.9
197.13257	13.9
199.11182	4.0
200.25693	3.3
201.12782	8.8
201.16360	6.1
202.34335	3.6
203.10641	3.9
205.15799	6.6
211.14809	9.8
213.12740	3.7
213.16472	7.0
215.14279	9.4
215.17946	5.3
217.12198	11.6
219.13882	5.2
227.17752	4.0
229.12180	8.3
231.13725	6.8
233.15378	5.6
235.13107	5.3
239.14371	6.3
239.17932	9.9
243.13815	21.0
253.19548	8.1
257.15359	5.6
257.19003	13.1
261.14871	11.5
271.20538	4.1
271.28171	18.7
273.18613	3.8
275.20093	18.0
281.19009	8.3
299.20007	45.2
299.23187	5.5
299.27502	4.4
317.06540	13.8
317.17902	2.6
317.21082	91.5
317.28729	100.0
317.32425	87.2
318.30154	16.8
332.62979	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	317.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.7
54.00911	1.6
55.01856	4.0
55.05500	12.0
56.07142	1.7
57.03434	2.5
57.07059	3.5
58.09947	2.0
65.03927	2.6
66.47300	1.7
67.05492	49.7
69.03398	3.1
69.07050	23.3
71.04975	21.8
71.70997	3.3
79.05479	22.7
81.03399	3.0
81.07040	41.5
83.04955	4.8
83.08604	5.3
85.06530	15.0
91.05463	19.7
93.07029	29.0
95.04954	6.7
95.08585	100.0
97.06509	17.2
97.10160	3.9
99.08074	4.6
105.06994	15.7
107.04974	2.7
107.08570	20.0
109.02850	4.7
109.06490	2.0
109.10133	22.5
111.08087	5.2
113.09624	37.9
113.10375	3.1
117.07030	2.6
119.08561	11.1
121.06493	2.3
121.10123	21.3
123.08022	1.7
123.11721	9.9
127.11240	2.6
129.06981	3.6
131.05037	1.7
131.08531	5.4
133.10130	11.9
135.11670	16.7
137.05914	2.7
137.09627	3.0
137.13177	2.5
139.11183	2.4
141.06940	2.3
143.08641	2.0
145.02838	2.0
145.06435	2.3
145.10091	7.0
147.11674	5.9
149.09616	2.5
149.13223	6.8
150.27400	1.7
151.07524	3.6
153.01830	4.6
155.08554	3.4
157.10109	3.4
159.08069	2.3
159.11661	4.0
161.09561	1.9
161.13246	9.3
163.11171	2.3
163.14810	7.1
165.06900	3.7
166.08615	2.5
167.03406	3.9
169.10101	2.0
171.11603	2.6
175.07549	3.8
175.14735	3.6
177.05528	3.1
179.14351	2.1
181.10072	3.0
183.07948	2.2
187.07518	4.0
189.09251	1.6
189.16383	1.8
195.07904	2.5
197.05946	2.8
199.07567	3.1
203.06978	2.0
211.07561	6.3
215.07066	2.2
221.06053	1.9
227.06998	2.7
239.07173	2.4
245.22598	5.2
255.06725	3.2
257.07974	4.5
263.23682	9.1
279.67383	2.0
281.24710	12.5
287.09964	2.5
299.09125	5.3
299.16351	2.1
302.04221	2.8
317.06506	12.1
317.10199	18.7
317.13956	6.7
317.17715	4.5
317.20816	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	318.104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	12.0
55.05494	5.4
56.96558	16.2
57.03420	15.7
61.02911	6.9
67.05490	9.4
69.03419	20.0
69.07028	5.7
70.04053	10.7
70.06557	3.7
71.01325	6.3
71.02462	17.0
71.04872	4.5
71.70053	6.4
72.05630	3.9
72.08151	34.5
73.02892	11.0
81.03400	51.9
82.04076	4.0
83.04909	6.4
84.04504	6.6
84.08119	9.7
84.96011	5.0
85.02895	30.3
85.06529	15.8
86.09695	100.0
89.03490	8.5
91.05468	13.8
93.07034	8.5
94.10799	3.1
95.04955	20.5
97.02895	19.8
97.05103	11.3
97.72892	3.6
98.03530	42.1
98.05904	9.8
98.97580	19.5
99.04366	6.9
100.05083	7.5
102.05525	7.3
103.05473	5.6
108.04334	4.3
109.02863	5.9
109.05100	8.7
110.97552	4.0
111.04399	8.6
113.04556	4.5
115.03912	9.2
115.06136	32.4
116.98603	18.9
119.01851	4.1
119.04945	5.4
121.06467	20.2
123.04418	19.8
124.03812	9.4
125.04582	12.5
125.06963	80.6
125.75120	3.2
126.05361	28.3
126.07787	20.5
127.06184	5.2
128.98611	6.5
133.04932	13.1
134.99634	10.1
136.06160	48.1
137.04553	7.5
138.05504	34.0
140.04475	4.3
141.04025	7.1
141.06435	23.9
142.07198	3.9
143.05605	50.8
146.99620	8.9
149.01189	4.6
149.05925	12.5
152.05638	9.6
153.05299	6.5
153.06438	64.2
154.07242	32.7
156.06572	21.4
156.10141	3.8
157.04803	6.5
157.13344	39.1
158.06749	5.1
158.97374	4.4
158.99651	8.7
160.06039	4.3
161.01175	11.8
164.05650	10.1
167.07019	13.8
168.86557	3.5
169.05890	5.6
170.06717	4.4
174.00758	3.8
174.96890	10.6
177.00708	9.3
177.08669	9.8
182.06683	10.1
185.01094	4.8
185.12827	11.0
185.16458	10.8
186.06206	36.4
191.02214	5.8
196.08264	8.2
198.07697	5.2
203.08963	3.6
204.05368	4.2
205.03859	3.9
210.06252	5.3
211.06894	5.8
213.00751	4.7
219.01852	5.5
219.23294	3.4
234.98988	13.1
237.02840	5.3
257.03326	5.4
257.11133	17.6
271.04855	7.4
275.09854	13.3
285.10645	18.5
309.08377	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	318.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77702	0.4
53.03919	0.3
55.01839	0.6
55.05486	0.8
57.03417	1.3
60.04496	1.2
61.02898	1.1
61.61288	0.3
67.05477	1.2
69.03410	4.2
69.07047	1.3
69.76031	2.7
70.06568	0.8
71.04980	0.6
72.08148	1.9
73.02878	0.8
77.71928	0.3
79.05490	0.8
80.05032	0.4
81.03384	1.1
81.07040	0.4
82.06552	1.9
83.04980	0.5
83.08620	0.4
84.08131	0.4
85.02895	6.8
86.09694	4.6
87.04452	0.8
87.05541	0.7
91.03968	0.4
91.05472	0.4
93.07036	2.1
95.08599	2.3
96.04476	3.1
96.08122	2.3
97.02881	2.6
97.05248	2.3
97.06517	1.0
98.09660	0.4
99.04390	0.5
100.07590	1.0
107.04939	0.4
108.08099	0.6
109.02859	1.1
109.06490	0.8
110.06010	4.7
110.09660	3.7
111.08061	1.0
114.09140	0.5
120.08073	1.0
121.06481	0.9
125.08347	0.6
126.09127	8.7
126.10053	0.5
127.03883	1.6
128.10681	0.4
131.82216	0.3
134.06041	0.4
138.09117	21.3
139.07520	1.4
145.04930	0.8
150.09036	0.4
156.10175	100.0
157.08553	0.5
157.10582	1.8
159.11246	1.4
168.10155	0.9
173.12878	2.6
175.67537	0.4
180.10257	0.9
187.10735	0.4
198.11159	0.5
201.12369	1.0
227.78342	0.4
250.12834	0.4
254.11850	0.4
255.11223	0.3
272.13150	0.5
301.11743	2.1
318.15240	1.5
319.12595	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
55.01866	3.1
55.05494	2.8
56.96547	3.4
57.03422	5.0
61.02911	9.1
69.03420	23.2
70.06582	3.2
71.04986	3.1
71.39093	4.9
72.08144	6.1
73.02911	4.0
81.03400	8.7
81.07041	3.1
84.04501	4.1
85.02892	100.0
86.09679	19.2
87.04449	3.2
88.03978	3.0
91.03960	5.1
93.07033	7.9
97.02878	21.6
99.04428	4.4
109.02860	8.6
110.05966	2.4
121.06492	66.3
127.03901	21.2
132.10205	3.2
138.05487	6.4
138.09119	4.9
139.07591	3.2
145.04953	31.9
145.06171	3.0
149.05930	3.1
156.06511	4.9
156.10130	11.5
159.07802	2.9
163.05991	4.5
180.08690	14.8
187.07486	10.5
189.12360	4.3
201.12329	8.1
205.08566	7.3
217.08733	2.6
229.08517	2.6
318.15442	4.1
319.13586	27.4
327.14194	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	319.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75687	9.0
56.96561	36.9
61.02920	29.6
66.45074	9.9
69.03422	26.4
70.92272	21.8
73.02901	23.2
81.03384	20.4
85.02898	49.8
90.69008	9.8
95.04945	15.6
97.02894	20.8
97.06487	11.0
98.21412	11.2
98.97593	50.8
101.00866	39.4
103.02404	23.0
106.90685	9.8
110.97501	9.8
114.54271	10.3
115.02351	14.5
116.98624	30.7
117.03912	14.4
119.01904	100.0
120.01954	13.7
121.01686	11.0
121.06491	35.0
127.03906	12.9
128.98579	15.7
131.01891	39.4
133.03453	61.7
135.05005	19.8
137.02940	17.5
142.06438	11.2
143.01891	36.3
145.03426	49.1
146.99664	14.6
147.01340	25.0
149.01152	10.8
149.02913	15.4
149.05997	48.6
155.01855	34.4
157.03461	24.9
161.02965	55.4
163.04506	21.9
163.94958	9.5
173.02942	49.9
173.06622	15.3
175.02730	10.2
175.04488	16.6
177.00691	12.9
185.02881	24.8
187.04555	16.2
189.00861	10.2
189.02408	29.4
197.03152	10.7
199.00874	10.9
199.04347	13.8
201.02492	16.6
201.06143	12.7
203.04015	17.5
207.03452	24.8
208.99600	12.0
213.03409	20.9
217.02077	22.7
219.01682	14.5
220.04111	11.7
221.05057	36.5
231.03581	20.8
235.02921	18.0
243.03517	22.9
245.05106	42.7
259.03400	17.6
259.06619	55.2
277.04065	16.8
277.07526	13.3
291.09372	18.4
319.07953	41.7
319.10004	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	29.3
61.02916	29.5
62.34641	5.7
69.03422	6.7
70.95533	13.3
73.02892	12.7
75.08258	6.2
85.02901	21.6
98.97590	9.4
100.99147	7.2
101.00868	18.1
103.02447	6.0
104.01527	5.3
105.02146	7.1
107.65854	6.8
109.02878	7.2
109.93392	5.7
115.02471	10.4
116.98603	10.0
117.04024	9.9
119.01900	69.6
121.01663	9.4
127.03869	11.2
131.01863	30.7
131.97321	6.5
133.03447	28.8
135.03069	8.3
135.04948	7.8
137.02885	6.9
143.01889	22.9
145.03432	33.8
145.04831	5.0
146.99596	8.3
147.01321	12.2
149.01161	8.4
149.02925	8.6
155.01837	9.9
157.03484	17.4
161.02902	46.8
163.02634	8.5
173.02956	37.6
185.02856	9.0
188.97169	6.2
189.02455	13.3
189.82545	6.6
190.02740	5.6
190.98637	10.4
191.02252	8.5
191.03915	14.8
199.00858	7.9
201.06143	7.0
203.04022	10.6
208.99649	17.8
209.03171	13.3
213.03329	7.0
215.03967	8.7
217.02010	12.3
220.04277	12.0
221.05066	14.1
231.03421	16.6
243.03416	16.2
245.01361	10.3
249.04665	11.1
259.01126	20.8
259.06723	13.6
287.02573	9.5
301.04007	9.3
319.10364	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1171
Annotation	5-Methoxy-8-(1,1-dimethyl-2,3-dihydroxypropyl)-psoralen
Peak:m/z	Relative Intensity
51.83221	1.5
55.01851	1.5
57.03414	2.0
57.81918	1.3
61.19790	1.8
67.05495	3.7
68.99783	4.1
69.03400	2.9
69.07054	2.5
73.02904	1.5
76.13618	1.4
79.05480	3.7
81.03395	2.4
81.07056	2.8
83.04945	1.9
85.02869	2.1
91.05482	3.3
93.07033	3.9
95.04964	4.2
95.08590	4.1
95.64696	1.3
98.02863	1.4
98.20718	3.3
105.06998	4.2
107.08580	3.9
109.02850	2.7
109.06552	1.9
109.10155	2.8
115.05431	1.9
117.06978	1.8
119.08562	3.0
121.10110	2.7
126.09101	2.3
129.06949	1.9
133.02856	1.9
133.06519	1.4
133.10091	2.3
139.11130	1.7
145.10156	3.5
147.04451	1.4
147.11711	1.5
149.09579	1.7
151.03911	8.1
151.04886	1.5
151.11177	1.9
152.06165	3.0
153.01772	1.9
153.06956	3.2
155.08517	2.6
157.10115	1.8
159.11685	1.5
161.09502	1.5
165.06978	6.0
166.04968	5.2
166.07616	1.9
166.80363	1.5
167.08534	6.4
168.05507	1.5
169.06458	5.9
173.05965	1.7
176.06140	2.7
177.05568	2.6
177.06911	9.6
178.07700	4.3
179.08540	4.4
181.06496	6.5
182.07356	1.8
183.04562	2.1
183.07968	2.8
184.05237	1.7
185.05927	2.2
187.03906	7.8
187.07544	2.3
189.06981	1.5
193.04889	1.5
193.06441	2.2
194.07208	11.9
195.08035	11.2
197.05986	9.5
198.06615	2.5
199.07498	4.1
205.06461	18.4
206.07152	7.9
207.08022	3.4
209.09554	12.3
210.06664	2.3
211.07558	4.0
212.08133	7.8
213.05536	3.6
213.09073	5.5
219.08002	2.2
221.05936	4.1
222.06715	14.5
223.07507	16.4
224.08231	2.4
225.05438	14.8
226.06152	3.1
227.06952	7.6
227.10559	10.8
229.04948	6.4
233.05928	8.1
234.06653	9.1
235.07423	2.9
237.05460	2.6
237.09056	21.2
239.03378	2.3
239.07048	3.3
240.07779	23.4
241.08426	9.7
243.06470	6.0
250.06236	10.1
251.06958	11.3
252.07768	10.9
253.04910	5.6
253.08617	2.3
254.05693	2.0
255.06496	5.5
255.10123	53.6
256.10522	3.5
257.04391	7.1
257.07770	1.5
258.08905	3.3
259.09650	2.0
265.08545	31.8
268.07269	9.3
269.08093	12.1
270.08804	6.2
271.06036	11.8
271.10464	5.2
272.06653	11.3
273.07953	2.5
273.11191	11.5
283.09601	93.3
284.10019	4.1
286.08228	7.9
301.10663	100.0
302.11090	5.7
304.09296	2.0
319.04266	1.9
319.11996	25.5
319.22678	2.4
320.12155	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.6
61.47239	0.5
65.03927	7.2
66.03443	0.6
69.03420	0.7
71.44198	1.0
72.51459	0.5
72.73965	0.6
79.05458	1.6
81.05782	1.4
81.07022	1.0
82.06531	0.7
91.05447	0.8
92.04989	9.3
94.06561	1.2
95.04943	0.6
96.04488	0.9
96.08114	7.8
97.06519	0.8
106.06516	0.7
109.06488	2.0
110.06019	1.0
118.70441	0.6
120.04423	1.6
122.06004	3.0
124.07574	7.1
126.09137	17.5
131.07257	0.7
132.08064	0.7
134.05940	0.6
136.03836	0.5
138.05429	1.5
138.09105	5.2
148.03847	3.4
150.05467	2.0
150.09108	1.7
152.07043	48.2
153.07346	1.3
154.06432	0.8
157.08829	0.8
164.03383	1.9
166.04971	100.0
167.05315	2.3
167.07275	0.8
168.06601	0.8
168.07983	0.7
169.07611	0.7
169.08875	0.8
171.09171	0.9
172.07556	0.8
172.11197	0.9
174.05487	1.4
174.09132	1.1
176.03389	16.8
178.04910	1.1
182.04463	19.6
182.08205	0.7
182.09673	0.8
183.09125	1.0
184.07582	0.6
184.09918	1.4
185.08394	1.4
185.10583	0.6
186.09171	0.9
186.11478	1.4
187.08609	0.9
194.04449	11.4
196.09943	0.9
197.07030	0.9
198.07768	1.9
198.09314	1.2
198.97923	0.5
199.08546	3.2
199.12251	1.1
200.10759	4.7
209.10686	1.9
211.08549	1.6
211.12216	0.9
212.09286	4.3
213.10188	1.2
215.08051	2.9
215.11781	0.5
216.06406	0.6
217.13258	0.7
225.06610	0.9
225.10159	4.2
226.10951	1.1
227.08112	2.2
227.11731	7.7
228.10352	4.7
229.09644	0.9
229.13303	2.4
230.08028	1.3
230.10362	0.7
233.09178	5.3
237.10118	1.2
239.08073	1.5
240.08777	4.8
241.09726	2.8
242.10442	1.6
243.11249	2.3
244.08418	0.6
245.09186	2.3
245.12968	1.0
253.09668	8.9
254.08063	1.6
255.07735	1.2
255.11235	8.2
257.09232	4.3
257.12823	3.7
259.07135	5.9
261.12375	3.6
265.09885	1.0
270.09863	2.5
271.10736	21.8
272.09012	2.8
272.11542	1.1
273.08704	2.8
273.12262	4.8
283.10730	75.6
284.11148	3.1
288.10986	2.4
289.11771	14.3
289.14978	0.7
290.12161	0.7
301.11777	60.8
302.12158	3.4
319.12830	64.8
320.12982	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	319.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.05503	1.2
56.04794	1.0
56.05030	9.4
56.34639	0.9
57.05808	1.7
60.05627	2.4
64.63070	0.7
65.03938	4.4
66.59533	0.8
67.05470	1.1
69.03397	3.1
69.04558	0.9
69.07063	2.0
70.06579	5.7
71.04970	2.9
71.28136	1.7
79.05463	3.2
81.03384	2.7
81.05787	0.9
81.07027	1.5
81.39845	0.9
83.06094	4.8
84.04471	1.6
84.08121	1.4
85.02884	3.8
86.09686	3.0
87.88810	0.7
91.05443	2.1
92.04998	5.6
93.07024	1.3
94.06510	1.1
95.04964	1.5
95.06065	2.7
96.04462	0.8
96.08121	6.4
97.02863	1.8
97.04020	0.8
97.06503	2.4
104.04975	1.1
105.06979	1.2
106.06506	2.1
109.02863	1.2
109.06457	1.1
111.05547	8.8
111.08086	1.1
112.05084	1.3
112.08701	1.3
113.05984	1.0
113.07124	5.7
118.06548	1.5
120.04463	5.7
121.10133	1.4
122.06014	1.2
123.05515	2.6
124.07584	5.4
126.06593	4.8
126.09150	8.3
127.03885	1.4
127.07431	1.8
128.08208	0.9
130.06473	2.2
132.04442	18.1
132.08070	2.5
134.06003	5.6
136.07483	1.2
137.04631	2.5
137.05852	1.0
138.05424	1.2
138.09113	2.4
139.11163	3.2
140.08167	3.8
144.08044	0.9
146.05995	1.1
148.03894	3.3
150.05492	11.7
151.03879	1.3
151.06129	8.9
152.07045	27.2
153.01801	1.0
156.06683	1.0
157.08630	2.1
157.12189	4.1
159.09196	1.7
164.03413	1.3
165.06599	1.2
166.04980	57.2
167.05284	1.9
174.05531	2.1
176.03419	8.5
176.07071	2.5
177.05382	1.3
178.04968	1.2
182.04492	10.0
184.09932	1.3
185.06902	1.4
187.08647	6.1
188.07018	1.8
189.06557	1.6
194.04495	7.6
198.07825	2.1
199.08653	1.5
200.10660	3.4
202.09749	5.7
203.08127	6.5
211.08629	1.7
212.09428	3.8
213.10110	1.0
215.08232	1.8
225.10210	2.3
226.10883	1.0
227.08159	1.6
227.11703	5.3
228.10197	3.5
230.09183	3.1
231.07629	35.6
232.10765	2.1
233.09111	5.4
233.13969	9.2
239.08104	1.6
240.08806	3.9
241.09694	2.7
242.09184	2.5
245.09174	2.0
253.09715	4.1
254.07910	0.9
255.11270	5.6
257.10083	5.1
257.12836	1.9
259.07092	4.2
259.11890	30.6
260.10205	2.6
261.12402	1.8
270.09888	1.2
271.10794	10.7
272.08987	1.7
273.08444	1.2
273.12250	2.5
277.12930	100.0
278.13239	2.9
283.10730	40.1
284.11206	6.5
288.11121	1.3
289.11844	8.6
293.50122	0.9
301.11749	41.3
301.43774	0.9
302.12433	63.9
303.12656	1.7
319.04480	3.2
319.12274	13.4
319.15591	79.4
320.15350	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	319.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.2
55.01852	5.1
55.05504	2.7
56.96551	1.7
57.03418	2.5
65.03924	2.3
66.52130	1.5
67.05497	9.7
67.05791	1.5
68.78778	1.5
69.03407	6.5
69.07061	1.6
69.84781	1.4
70.06576	3.5
71.04957	2.5
71.70481	1.8
72.08140	4.9
79.05486	24.3
81.03400	7.0
81.07051	18.6
83.04955	4.0
85.02886	6.4
86.09695	5.2
91.05458	25.7
93.03403	1.7
93.07039	16.4
95.04959	12.6
95.08617	10.5
97.02884	3.5
97.06535	2.8
98.06066	2.2
98.97565	3.2
103.05444	6.8
105.07015	22.6
107.04937	7.5
107.08563	6.4
109.06499	8.9
115.05416	5.4
116.07033	3.1
117.06993	8.1
119.04929	16.4
119.08573	3.5
121.06497	11.0
123.04413	2.9
123.08065	4.8
125.05968	2.8
128.06250	3.7
129.07018	8.7
131.04904	100.0
131.08524	6.5
133.06476	36.6
134.06892	1.6
135.08031	6.1
136.07516	1.7
139.07526	2.5
140.13753	1.6
141.06960	5.9
143.08536	6.6
145.06419	4.4
145.10112	2.0
147.07988	4.6
149.05963	23.6
151.07516	12.6
152.37814	1.9
153.06966	3.2
154.07802	2.2
155.08594	7.5
157.06480	2.6
157.10091	2.5
159.08026	7.0
163.07465	2.5
165.06995	6.4
166.04932	3.3
166.07745	3.1
167.08546	5.9
169.06396	2.0
169.08667	3.1
169.10106	3.9
171.08061	2.7
175.07556	2.3
178.07758	4.8
179.08488	6.2
180.09326	2.0
181.06454	1.5
181.10098	6.1
183.07979	2.4
183.11594	2.1
185.09567	3.8
189.08655	1.9
193.10132	4.5
194.10826	2.0
195.08037	2.3
195.11646	2.5
197.09521	2.5
197.13219	2.0
201.09068	1.7
205.10127	1.9
207.11740	3.4
209.09596	2.7
209.13184	3.7
211.11133	2.6
213.12701	2.1
219.11760	3.4
221.09573	3.2
223.11180	4.8
225.12782	4.5
234.98999	3.2
237.12738	5.0
239.10828	2.0
241.12231	2.7
243.13864	2.6
253.12111	4.1
255.13824	4.3
257.11642	2.0
260.28156	2.1
265.12143	2.2
271.13199	9.1
273.14816	2.7
283.10471	3.2
283.13217	5.6
289.14322	1.9
290.45096	1.9
301.12180	2.5
301.14511	15.1
319.13538	18.7
319.15408	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00208	2.0
51.46243	1.9
52.67915	2.0
53.03933	2.5
55.01852	6.8
55.05499	12.1
57.03425	4.7
57.07064	2.5
58.65341	2.1
60.04524	1.9
63.96581	2.1
65.03934	2.8
67.05499	44.3
69.03422	10.0
69.07057	13.6
69.59428	7.1
69.59856	9.4
71.04983	24.2
73.02895	2.8
79.05476	28.1
79.36727	2.3
81.03397	9.9
81.07046	41.2
83.04972	11.5
83.08598	4.5
84.00025	2.2
85.02892	7.9
85.06548	13.5
91.05465	22.6
92.05003	2.8
93.07030	26.3
95.04948	15.4
95.08580	22.2
96.08135	3.3
97.02896	3.5
97.06525	10.7
99.08095	10.1
103.05512	2.1
105.07024	15.4
107.04948	5.1
107.08576	13.4
107.15352	2.0
109.02878	6.1
109.06513	18.1
109.10159	14.4
111.04444	4.2
111.08067	6.2
113.05997	8.2
113.09553	3.6
115.03905	3.5
117.06992	7.7
119.04884	3.5
119.08566	16.2
120.04397	2.2
121.06446	2.4
121.10133	17.7
123.04427	3.2
123.08064	4.8
123.11713	3.8
124.07577	9.6
125.05965	15.1
125.09595	3.0
126.09129	16.4
127.11166	2.5
129.05457	5.4
131.08546	15.7
133.10133	7.9
135.08028	4.8
135.11632	5.1
137.02336	3.0
137.05962	13.5
137.09607	5.8
138.05486	4.6
138.09081	11.8
139.11130	3.0
141.06987	3.4
143.07033	7.0
143.08528	3.3
145.06421	4.4
145.10107	8.6
147.08034	4.8
147.11623	5.6
148.03865	2.1
149.05946	7.2
149.09566	4.7
151.03931	6.8
151.07516	3.6
153.01823	2.7
153.06911	3.0
153.09026	2.7
155.07005	4.5
157.10114	2.7
157.12166	5.4
159.08040	2.7
159.11664	3.1
161.13245	4.4
165.09122	2.6
166.04958	26.0
169.08568	3.2
173.13193	2.5
175.11218	3.0
177.05473	11.5
183.11789	2.8
184.09865	3.1
187.11121	3.0
187.14775	13.3
194.04491	11.9
195.07997	2.3
199.08736	3.4
201.16399	2.8
205.06393	3.2
205.15881	5.3
211.08667	3.6
212.09386	6.6
213.10181	2.7
219.17303	2.9
223.07394	3.4
223.17009	3.1
225.10248	5.9
226.10970	9.4
227.11905	13.0
227.13814	2.7
228.10175	3.3
229.15872	5.8
243.07689	6.3
247.16957	8.0
255.11472	12.8
257.09180	4.8
259.10825	3.9
265.08716	2.8
265.18066	10.8
270.09982	16.6
271.10764	13.0
272.11517	34.6
273.07840	2.6
273.12335	47.1
274.12527	2.8
283.10571	18.1
283.19019	10.0
301.11792	100.0
302.12149	8.9
319.04614	3.7
319.12692	21.9
320.13004	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	319.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.5
55.05503	17.9
67.05492	33.8
67.19354	2.6
69.07059	16.9
71.08595	3.6
71.70976	4.5
79.05480	65.8
79.50463	2.8
81.06600	4.2
81.07043	49.4
83.08608	6.5
85.06511	3.7
91.05455	24.5
93.07025	100.0
95.04961	6.1
95.08589	35.7
105.06975	13.4
107.08572	46.8
109.10143	17.3
119.08562	13.6
121.10120	49.0
123.11689	3.9
131.08554	4.4
133.10124	11.3
135.11667	46.7
145.10109	4.9
147.11681	7.5
149.09595	2.8
149.13228	35.1
159.11714	4.6
163.14824	14.5
173.13185	4.4
177.16403	3.1
215.92108	2.9
284.83044	3.0
287.23688	5.8
319.26285	50.6
319.30017	3.6
320.26114	5.0
320.57797	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	321.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97492	2.4
56.96566	15.6
57.03414	2.8
58.99846	3.5
61.02915	6.2
69.03420	9.6
69.71005	17.0
73.02901	4.5
75.21915	2.1
77.00880	5.6
77.01286	2.1
80.29463	2.4
81.03413	4.6
81.04497	2.4
84.08127	3.1
84.96021	3.5
85.02883	9.0
90.58218	2.0
95.06083	5.7
97.02878	5.7
98.20766	4.4
98.97569	24.5
101.00860	23.9
105.00343	2.7
109.02844	2.9
110.97586	3.9
111.05542	16.8
111.53524	2.1
111.84718	2.0
112.53795	2.3
115.02393	2.6
116.82021	2.3
116.98625	16.1
119.01904	99.9
119.02753	5.3
120.02014	4.1
121.01624	4.6
123.05527	14.1
127.02404	5.4
128.98599	5.8
130.04939	2.4
131.01880	15.8
133.03502	3.3
134.99652	7.3
137.02927	14.5
139.00629	2.4
141.06564	29.4
143.00157	5.3
143.01878	31.9
145.03444	49.8
146.99611	11.5
147.01376	3.5
149.01218	2.7
153.00601	2.5
155.01823	12.5
157.03452	12.6
158.99533	4.8
159.07629	15.6
160.01270	3.2
161.01379	5.3
161.02927	68.9
163.04488	9.0
169.01820	7.9
169.03278	2.7
170.99866	4.2
171.01346	22.5
173.02956	28.9
175.01740	4.2
175.04492	5.8
177.00734	14.2
179.03961	2.3
184.04552	3.1
185.02979	10.2
187.04532	3.4
189.00867	4.8
189.02432	68.0
189.03963	2.5
190.02507	3.0
191.03999	9.0
193.19649	2.2
195.01425	3.9
197.02869	5.1
201.00710	4.9
201.02411	28.4
202.88376	2.6
203.00703	3.9
203.02359	5.1
203.04021	24.4
204.01703	3.1
207.01797	3.5
211.02895	5.5
212.04198	4.9
213.02434	11.8
213.92886	2.1
214.96550	2.4
215.04117	3.0
219.01552	11.9
219.03662	16.9
220.03433	6.9
221.01749	8.9
221.05029	100.0
222.05234	3.3
229.03986	5.7
231.03368	4.1
232.03398	4.0
233.05074	29.8
234.05171	3.3
235.70247	2.4
237.02837	9.8
239.06039	11.4
241.03931	9.7
245.04994	24.8
246.00337	3.1
247.03931	6.2
249.53004	2.6
251.06010	2.8
255.03856	8.4
256.04236	3.9
256.97449	13.3
258.00281	4.0
261.04575	46.0
262.04645	2.8
263.06152	21.9
275.06165	3.8
279.05756	29.8
298.18515	3.1
298.98358	14.3
302.06995	2.4
303.05527	16.1
311.52579	2.8
316.19690	3.2
321.06680	34.2
342.68933	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	321.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99784	3.5
58.33716	3.0
70.22177	14.5
70.22587	7.9
74.01315	3.1
81.03376	7.4
98.97533	5.2
101.00864	14.8
113.00848	3.7
115.02412	10.0
116.98680	3.7
119.01900	36.4
129.03911	4.1
130.46935	3.4
131.01892	10.6
133.03464	25.2
137.02945	3.7
141.06561	7.2
143.01917	8.5
145.03491	8.8
147.05043	5.8
155.01869	11.7
159.05005	10.1
161.02911	13.4
171.04987	11.4
173.02905	9.9
177.06071	8.7
183.04993	4.7
187.00841	5.2
189.06039	10.0
195.07175	3.6
203.03952	4.3
205.01981	4.5
215.00346	7.9
219.03627	3.8
219.07042	19.9
221.05064	15.1
229.01926	5.2
231.07149	13.1
233.08655	3.6
245.05104	7.3
247.02950	15.6
255.07027	6.2
261.08191	18.3
279.09250	25.8
280.09595	3.7
304.76016	4.8
321.09723	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.05494	1.0
57.03416	0.8
57.07058	0.8
67.05482	2.7
68.31419	0.5
69.03402	0.8
69.07043	1.8
70.88028	2.2
79.05468	2.2
81.03388	1.6
81.07038	3.0
83.04974	0.8
83.08604	1.4
91.05435	1.4
93.07015	2.5
95.04932	1.1
95.08593	3.1
96.91962	0.6
97.06522	0.9
105.06998	1.7
107.04981	0.6
107.08560	1.9
109.02858	1.5
109.06469	0.7
109.10116	1.6
117.03377	0.6
117.06962	1.0
119.08526	1.5
121.10133	1.2
121.59834	0.6
123.08025	2.8
131.08543	1.4
133.10057	1.1
135.11688	0.9
138.50739	0.6
141.08981	0.7
145.02788	1.0
145.10074	1.0
145.49500	0.6
151.07532	4.0
159.11620	0.7
169.02632	0.7
177.05435	1.4
183.11742	0.6
195.01971	0.6
207.13722	2.4
263.06876	0.9
303.23172	1.3
321.16672	100.0
322.17111	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	321.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.9
55.05497	1.9
55.53650	0.7
60.04495	0.9
66.32056	0.7
67.05499	2.6
69.03432	4.0
69.07063	3.1
71.04981	2.9
71.38662	0.8
71.38988	1.7
79.05480	2.1
81.03407	6.2
81.07030	3.9
83.04984	1.2
85.02893	2.3
86.09693	94.7
87.10029	1.4
89.03918	0.9
89.98373	0.8
90.69756	0.7
91.05470	4.5
93.07032	4.5
95.04964	1.4
95.08593	3.2
97.06494	1.4
103.05446	4.8
105.07038	4.1
107.04969	1.4
107.08584	3.0
109.02869	2.5
109.10122	2.2
117.03368	2.1
119.08556	3.1
120.08087	100.0
121.06527	1.5
121.08432	2.6
121.10133	3.4
123.08029	1.3
123.11706	1.6
125.09595	1.2
127.03899	1.1
127.11181	1.2
128.10698	45.7
129.11096	1.1
131.04930	2.7
131.08505	0.8
133.10139	2.2
135.11670	0.9
143.08597	1.0
145.02820	5.7
145.10123	2.2
147.04388	1.0
147.11624	1.3
149.05981	2.4
151.11171	2.6
156.10173	11.2
157.10155	1.2
160.22008	0.8
163.11282	0.9
166.08612	56.3
167.08922	0.9
175.14883	0.8
177.05450	5.9
183.11763	1.0
185.13254	1.2
193.16049	0.8
221.15405	1.6
231.68877	0.8
253.03729	0.8
268.31985	0.7
285.62317	0.8
303.23071	0.9
321.09509	3.7
321.17242	1.2
321.25653	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	321.242
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
53.03922	1.3
54.68420	0.5
55.01849	1.6
55.05267	0.7
55.05500	7.6
57.03426	5.0
57.07058	3.0
65.11984	0.5
67.05495	7.0
69.03403	0.5
69.07063	6.0
71.04974	1.3
71.08598	1.7
71.87152	0.5
79.05487	6.1
81.03384	0.6
81.07041	10.0
83.04585	0.5
83.04974	5.6
83.08614	3.5
85.06508	2.0
91.05467	5.7
93.07018	6.3
95.04943	1.7
95.08593	10.2
97.02872	0.9
97.06492	1.7
97.10136	2.0
99.04440	0.6
99.08073	1.6
104.34278	0.5
105.07028	5.0
107.04938	5.6
107.08574	5.8
109.06504	13.8
109.10145	3.4
111.04420	2.7
111.08046	2.3
112.67838	0.5
112.99996	2.1
117.06995	1.8
119.08566	5.6
121.06490	1.4
121.10126	4.7
122.07269	1.3
123.08048	49.5
123.11649	0.8
124.08353	0.9
125.06031	0.9
125.09618	0.7
125.53925	0.5
129.06967	1.6
131.08534	3.3
133.06441	1.1
133.10112	4.0
135.08022	5.9
135.11646	1.7
137.05959	0.6
137.09622	2.9
137.13203	0.8
139.11171	1.1
143.08495	1.3
145.06462	1.0
145.10098	2.8
147.08032	1.9
147.11674	1.4
149.09621	1.6
149.13199	1.2
151.07477	1.3
155.08437	0.7
157.10085	1.1
159.08049	2.0
159.11682	1.5
161.09572	1.9
161.13219	1.1
163.11128	2.1
165.09100	0.7
165.12662	0.9
167.14258	1.3
169.02577	2.3
169.10121	1.1
171.11647	1.0
173.09586	1.3
173.13228	0.9
175.11079	0.7
177.12708	1.5
179.14279	46.9
180.14597	1.5
183.11690	1.4
185.13303	0.8
187.11171	0.8
187.14752	1.6
191.14255	1.0
193.15871	1.1
197.13110	0.8
205.15785	2.3
215.14227	1.5
233.15314	3.8
243.17409	1.0
247.16858	0.6
261.18442	2.1
261.22260	0.9
265.17935	14.7
271.16885	2.1
279.19278	0.6
289.17896	6.5
303.23172	3.7
321.24182	100.0
322.24591	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	322.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
54.26497	1.3
55.01847	1.3
55.05489	2.4
56.05016	3.6
57.03424	13.1
61.02920	8.3
69.03418	18.1
69.07057	3.0
70.06582	7.6
70.16396	7.7
71.04966	5.1
73.02897	3.6
79.05491	1.8
81.03397	8.3
81.07034	7.0
84.08128	13.0
85.02890	45.0
85.06529	20.5
86.09694	21.6
87.04439	3.2
88.07625	1.5
91.03938	3.1
92.22844	1.2
97.02870	17.3
97.06496	2.4
98.09679	16.8
99.04411	2.1
99.08076	28.6
102.09174	22.4
109.02840	6.3
112.11214	1.3
116.10712	40.9
124.11225	3.4
127.03882	9.2
136.07509	1.9
142.12238	12.2
144.13774	2.7
145.04936	9.1
160.13303	100.0
161.13614	2.3
164.07007	2.8
182.08055	3.0
184.64798	1.3
208.25087	1.4
235.42496	1.4
252.16280	1.2
264.14459	5.2
322.18558	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	322.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.6
57.07064	1.8
60.04516	1.3
60.83651	0.8
62.06079	100.0
65.13567	0.8
67.05494	18.3
69.03415	1.0
69.07047	5.3
69.45535	6.0
69.45963	2.2
69.95692	0.8
70.55615	0.8
70.64173	0.8
79.05487	12.0
81.07044	20.8
81.17065	0.8
83.08600	3.7
91.05467	5.9
93.07031	14.3
95.04951	1.1
95.08594	15.8
97.10149	3.5
98.06068	1.0
102.80074	0.8
105.07016	4.4
107.08576	8.2
109.10147	5.9
117.06969	1.3
119.08572	2.8
121.06522	0.9
121.10134	5.7
121.74810	0.7
123.11675	2.3
125.09573	1.9
131.08556	2.8
133.10101	2.9
135.08060	1.1
135.11703	3.0
140.43022	0.9
145.10091	2.6
147.11613	1.7
149.13268	2.4
159.11609	1.0
163.14743	1.9
173.13182	1.2
177.16449	1.2
187.14845	1.5
243.21017	2.4
253.02885	1.0
261.22052	4.2
273.18350	1.1
291.19513	13.4
301.89096	0.8
304.26346	2.1
305.21127	2.3
305.24640	2.0
322.27402	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	323.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36442	4.0
56.83762	3.8
57.58965	4.5
70.21626	19.8
70.22030	10.5
73.58334	5.0
94.93050	4.1
96.81783	5.1
98.21371	4.9
120.76057	5.3
168.24911	4.5
278.18268	4.6
301.44827	5.8
323.07336	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01862	0.6
55.05510	1.8
57.03417	0.5
63.02361	0.4
66.77316	0.2
67.05487	1.2
67.97643	0.2
69.03418	5.4
69.07053	0.3
69.93156	1.6
71.01339	0.6
71.04984	1.0
75.02932	0.2
78.04709	0.3
79.05476	0.9
81.03412	1.9
81.07043	1.7
81.41858	0.2
83.04966	4.6
83.08611	0.3
84.56377	0.2
85.02888	1.8
85.06512	0.5
87.93502	0.2
89.03898	7.6
89.04438	0.4
91.05457	1.2
93.07033	0.8
95.04965	0.7
95.08591	1.1
97.00657	0.2
97.02872	0.7
97.06519	0.5
97.10176	0.3
97.30084	0.2
99.04446	0.8
102.96888	0.2
103.05450	0.8
105.07017	0.9
106.04175	0.6
107.08568	0.8
109.02889	0.7
109.06508	0.4
109.10133	0.6
111.04430	2.9
117.03362	23.7
117.07018	0.4
118.03661	0.3
119.08601	0.7
121.06493	0.4
121.10162	0.5
122.03623	0.3
123.08032	0.4
123.11643	0.3
127.03890	1.9
127.85853	0.2
129.05507	0.3
129.06932	0.4
131.04909	1.2
131.08543	0.4
133.06447	0.5
133.10107	0.5
134.03584	2.1
135.04416	2.1
135.08005	0.3
135.11682	0.3
137.05952	5.4
143.04903	0.7
143.08583	0.4
145.02824	57.1
145.10054	0.4
146.03127	1.9
147.04402	0.5
149.05957	8.3
150.06337	0.3
151.07494	0.6
157.06416	0.2
158.05998	0.3
159.11688	0.3
160.05206	0.6
161.05956	1.9
161.13232	0.3
162.03101	0.5
163.03870	1.2
163.07524	0.7
171.08038	0.5
175.07571	1.1
177.05441	100.0
178.05782	3.2
179.07004	2.6
181.06400	0.3
183.11522	0.2
185.06068	0.3
186.05490	1.7
189.05359	0.4
189.09154	0.4
190.97552	0.2
191.07021	1.2
195.06485	0.6
199.07506	0.9
201.05478	0.4
203.06970	0.7
203.08568	0.6
205.04898	1.3
207.06519	0.7
213.05379	0.3
215.07077	0.4
217.08569	0.4
219.06419	0.5
227.07088	0.6
229.04929	0.3
231.06383	1.9
233.07893	0.3
241.08730	0.3
245.08112	0.6
247.05858	0.4
248.08215	0.6
259.07452	0.7
263.08820	0.5
265.08536	0.3
269.07928	0.4
276.07797	0.3
287.09070	2.4
291.07101	0.3
291.10031	1.9
305.10184	2.3
305.17569	0.4
323.11176	4.4
323.18289	1.6
323.27234	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	4.7
68.32759	1.4
69.03419	1.8
70.88980	4.9
81.03368	2.0
81.07034	2.6
84.08143	10.2
85.02896	2.1
87.80364	1.4
91.05421	3.3
93.07114	2.0
94.06532	5.2
95.04958	3.9
96.08105	1.5
97.03857	1.3
97.11205	1.5
108.08101	19.0
110.06000	7.3
118.06516	7.2
119.07306	4.3
120.08071	9.6
122.06007	5.8
124.07562	9.1
132.02045	1.4
132.08116	2.1
135.04474	2.2
136.07558	100.0
142.08609	7.0
146.06000	6.5
146.08427	1.7
146.09593	1.7
147.06792	2.0
148.07544	5.3
152.07004	1.6
154.08574	5.4
160.07535	2.7
161.02101	1.7
161.07004	2.1
162.05476	14.3
164.07043	38.9
167.07153	1.6
173.07251	1.6
173.10765	4.9
181.08820	3.6
184.09932	2.5
185.10774	1.9
196.11182	3.7
197.10750	3.0
198.11423	3.2
201.10222	5.8
211.08704	3.4
212.09355	2.6
213.10248	4.9
213.13773	3.3
215.03401	1.9
223.12086	2.6
224.07257	1.7
224.10622	2.9
225.10233	6.3
226.10980	7.8
241.09653	4.6
241.13322	25.0
259.14401	24.8
260.14532	1.8
269.12820	35.2
277.15561	1.8
287.13882	39.0
288.14029	2.7
305.14923	61.9
306.15295	3.8
323.06827	1.8
323.12396	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
61.53027	1.5
67.05483	3.1
70.93882	2.3
70.94220	3.5
82.83507	1.8
89.95898	1.4
90.14790	1.5
91.05443	2.1
94.06524	5.6
95.04927	1.8
108.08103	17.9
110.06035	5.2
118.06528	5.1
119.07267	4.8
120.08080	6.0
122.06004	4.6
123.06783	2.4
124.07571	11.0
136.07556	100.0
142.08644	9.8
146.05997	2.7
147.06735	2.8
148.07526	5.5
152.06982	1.7
154.08528	3.3
162.05479	5.9
164.07033	33.6
166.08630	2.9
173.10727	4.2
195.09097	2.5
197.10732	2.4
198.11447	3.0
201.10208	4.5
204.49876	1.7
211.08636	3.2
213.10149	7.5
213.13800	2.2
215.11707	1.6
224.10600	4.0
225.10080	5.6
226.10982	6.2
240.12508	2.5
241.09654	6.1
241.13326	19.0
249.20105	1.7
259.14377	31.7
260.14581	2.3
269.12823	36.6
270.13135	2.3
277.15323	3.6
287.13843	35.4
288.14157	2.8
305.14890	60.6
306.15320	3.5
317.64761	1.7
339.23907	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1849
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
53.03941	6.1
55.01874	4.2
55.05273	1.0
55.05506	12.7
57.03411	2.3
57.07058	0.9
59.05000	1.0
65.03917	1.9
67.05497	25.7
69.03422	100.0
69.07059	8.0
69.46235	6.1
69.46666	3.0
70.03773	0.9
71.01347	1.7
71.04979	4.7
79.05486	19.1
81.03406	37.4
81.07046	28.6
82.04187	0.9
83.04970	18.4
83.08619	5.8
85.02890	3.8
85.06516	2.3
86.08495	0.9
87.04439	1.0
88.97046	0.8
91.05470	18.3
93.07032	20.8
95.01328	1.7
95.04963	9.6
95.08000	1.4
95.08595	21.8
97.02898	5.7
97.06534	10.6
97.10160	2.9
99.04450	3.8
99.08067	1.6
103.05433	1.8
105.07012	15.4
106.06570	0.8
107.04971	5.4
107.08585	11.6
109.02863	12.1
109.06509	9.8
109.10141	11.5
110.03687	2.2
111.04429	5.3
111.08073	2.8
113.00011	9.0
113.05972	1.2
115.03965	1.1
115.05425	2.1
117.07009	5.9
119.04890	1.0
119.08566	13.3
121.06505	8.7
121.10139	5.0
123.04406	3.5
123.08085	4.4
123.11676	1.5
125.02324	1.7
125.05979	1.4
125.09583	1.8
127.03902	10.0
128.06221	1.2
129.07030	4.1
131.04918	1.2
131.08534	9.4
133.06508	3.9
133.10110	7.2
135.04404	1.3
135.08049	8.8
135.11671	3.4
137.05923	2.3
137.09602	1.7
139.07503	1.0
141.06979	1.2
143.08565	3.5
145.02805	1.6
145.06430	1.5
145.10130	5.4
147.08037	2.6
147.11646	4.0
149.05956	3.2
149.09601	2.4
149.13216	2.7
151.07529	19.3
151.08725	1.1
151.11050	0.8
155.08510	2.2
157.10132	3.5
159.08018	3.3
159.11682	3.8
161.05951	2.2
161.09592	2.2
161.13237	4.2
163.07520	1.4
163.11143	1.4
165.09030	1.0
169.02605	11.0
169.10127	1.2
171.11679	3.6
173.09604	1.6
173.11722	4.5
173.13248	5.0
175.07617	1.1
175.11137	1.2
175.14711	1.8
176.14397	1.1
177.05510	3.1
177.09036	1.4
177.12766	1.4
179.14285	1.7
181.10066	1.0
183.11699	3.3
185.13219	2.2
187.11115	0.9
187.14778	1.3
189.09212	0.8
189.12712	2.9
191.14301	3.6
195.11781	1.0
195.13724	1.7
199.14885	1.0
201.12764	3.7
203.10683	1.0
203.14507	0.8
205.12079	0.9
207.13800	2.7
209.15297	5.6
213.16554	0.8
217.15741	0.8
219.13808	4.8
225.12842	1.3
225.14874	3.7
227.16312	1.1
233.15314	1.2
235.17056	1.8
237.14807	21.5
237.17110	1.2
253.19481	1.2
259.16977	2.5
263.16406	4.2
269.15436	1.4
277.17892	3.1
287.16385	7.0
291.10135	1.6
305.17416	15.0
323.12457	2.1
323.18500	82.4
323.27179	2.5
324.18951	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	323.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.6
53.73953	0.9
55.01862	4.4
55.05499	13.5
57.03415	3.0
57.07053	1.1
65.03925	2.5
67.05143	1.2
67.05495	25.2
69.03419	100.0
69.07061	8.8
70.03739	2.1
71.01320	1.8
71.04976	4.9
73.97388	0.8
79.05482	19.7
81.03403	42.2
81.07043	30.2
83.04515	1.2
83.04973	21.1
83.08603	6.9
83.61937	1.0
85.02872	3.5
85.06519	3.1
87.04424	1.1
91.05465	19.4
93.07027	24.1
95.01316	1.2
95.04958	11.2
95.08588	19.1
97.02874	6.7
97.06515	11.6
97.10129	3.2
98.21547	1.8
99.04434	4.0
99.08057	1.0
102.94781	0.9
103.05444	1.8
105.07015	18.1
107.04934	5.4
107.08575	13.2
109.02853	12.9
109.06506	9.2
109.10139	9.8
110.03679	1.4
111.04445	7.3
111.08051	3.3
112.99953	1.6
113.05987	1.3
115.05473	1.6
117.06996	7.8
118.82220	0.8
119.08562	13.3
121.06490	8.6
121.10128	5.7
123.04398	2.8
123.08028	4.3
125.02341	1.9
125.05997	1.3
125.09627	2.1
127.03019	1.3
127.03903	10.9
128.06155	1.2
129.06998	4.6
131.04871	1.1
131.08549	12.9
133.06436	4.2
133.10081	6.9
135.04393	1.1
135.08026	7.1
135.11676	2.5
137.05943	6.0
137.09583	2.8
141.06927	1.4
142.34653	1.0
143.08549	2.9
145.02844	2.1
145.06471	1.4
145.10080	5.2
147.08052	2.4
147.11627	4.7
149.05943	3.5
149.09561	3.3
149.13263	1.8
151.07512	22.3
152.07912	0.9
152.52652	0.9
155.08534	2.2
156.09431	0.9
157.10085	3.7
159.07979	1.9
159.10304	1.3
159.11690	3.8
161.05943	2.5
161.09596	2.7
161.13197	4.5
163.07555	1.3
163.11180	1.6
165.09027	0.9
169.02553	1.7
171.08054	1.3
171.11658	2.5
173.09555	2.5
173.11703	5.0
173.13229	5.6
175.07581	1.9
175.11163	2.3
175.14691	1.1
177.05450	2.9
177.09087	1.4
177.12711	2.0
179.14201	1.3
180.76802	1.2
183.11671	1.8
185.09528	1.7
185.13272	1.2
189.12711	2.3
191.14244	3.9
193.08389	1.2
195.11520	1.2
195.13736	1.2
197.13243	1.7
199.11160	1.1
201.12712	4.7
202.07771	1.7
203.08527	1.4
207.10007	1.1
207.11916	1.3
207.13744	4.4
209.15361	8.6
213.12662	0.9
219.08127	1.1
219.13725	6.0
220.08826	0.9
225.14789	3.8
231.08046	2.5
233.15297	1.3
235.16888	2.8
237.14818	22.3
238.15283	1.1
245.15295	1.6
248.08229	2.3
249.14810	1.9
252.31361	1.0
255.15736	1.2
259.07501	4.2
259.16824	2.3
260.07907	1.2
263.10696	1.1
263.16357	4.5
271.35800	1.0
275.16370	1.0
276.07834	1.7
277.17996	3.9
287.16269	6.1
291.10101	3.6
305.17416	16.1
306.17566	1.5
309.07370	0.9
323.13123	4.4
323.18475	86.2
324.18845	7.6
343.17743	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1849
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
53.03925	4.3
55.01849	3.7
55.05504	12.4
57.03417	2.4
65.03924	1.2
67.05492	20.9
68.27081	0.9
69.03418	100.0
69.07058	5.8
69.07365	1.1
69.24051	0.9
69.49451	8.9
70.03748	1.3
70.04397	1.0
71.01321	2.0
71.04966	4.1
79.05482	15.0
81.02943	2.0
81.03402	35.7
81.07043	28.0
83.04965	16.7
83.08595	5.5
85.02880	2.4
85.06519	2.8
87.04480	0.9
91.05459	13.6
93.07027	19.4
95.04962	9.5
95.08588	19.3
97.02872	5.7
97.06504	9.5
97.10158	3.4
99.04432	3.2
99.08059	1.0
105.07014	14.4
107.04938	3.5
107.08579	10.1
109.02861	13.1
109.06503	11.5
109.10152	7.6
110.03593	1.1
111.04416	5.6
111.08086	3.0
112.99992	1.5
115.05412	1.2
117.06963	5.9
119.05002	0.9
119.08572	10.7
121.06489	8.2
121.10121	4.4
123.04399	2.5
123.08028	5.2
124.93442	1.0
125.02295	1.3
125.09630	2.1
127.03883	8.2
129.06947	2.9
131.04897	1.5
131.08566	6.8
133.06461	3.9
133.10135	4.9
135.08057	4.4
135.11696	2.5
137.05936	2.3
137.09615	2.1
143.08511	3.5
145.06454	2.0
145.10123	5.3
147.08054	2.3
147.11642	4.1
149.02335	1.9
149.05948	2.3
149.09593	2.3
149.13197	1.5
151.07518	21.6
157.10074	2.9
159.08034	3.0
159.11667	3.6
161.05908	1.6
161.09561	2.7
161.13231	5.1
163.07500	1.6
163.11148	1.7
169.02559	2.6
171.08067	1.1
171.11688	2.0
173.09477	1.3
173.11702	3.9
173.13214	4.1
175.07515	1.6
175.11195	1.7
175.14912	1.0
177.05431	1.2
177.12729	2.1
179.14255	1.3
181.08537	1.0
185.13188	1.3
189.09143	1.4
189.12694	1.6
191.14290	3.0
193.78612	1.0
195.13748	2.2
199.11086	1.1
201.12723	2.9
207.13811	2.6
209.15349	8.3
219.13710	5.8
225.14848	4.1
227.14413	1.2
235.16823	1.8
237.14819	21.4
249.15013	1.2
255.15822	1.2
259.16888	1.4
263.16397	3.4
269.15433	1.0
275.16412	1.4
277.17920	3.2
287.16385	4.0
293.17407	1.1
305.17404	11.0
323.18491	83.8
324.18802	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	3.3
55.01851	6.2
55.05504	40.9
57.03418	6.0
57.07047	2.5
58.39344	2.2
67.05491	28.7
69.03410	5.0
69.07061	18.2
71.04964	4.4
71.71690	2.1
71.72377	2.1
79.05476	24.9
81.03386	5.3
81.07050	26.8
83.04954	6.5
83.08606	18.8
85.88373	1.9
91.05456	16.8
93.07034	18.6
95.04929	13.9
95.08605	19.2
97.02869	2.7
97.06535	3.7
97.10155	32.1
99.08061	1.8
105.07024	13.7
107.04932	6.1
107.08572	21.3
109.06438	2.1
109.10123	7.4
117.06987	5.1
119.08556	15.0
121.06490	2.9
121.10123	8.5
123.08061	14.1
123.11664	3.3
125.09597	26.9
129.06944	3.0
130.07724	1.6
131.08528	6.6
133.06445	3.9
133.10063	3.7
135.08022	7.1
135.11639	3.3
136.98923	2.0
137.06000	2.4
137.09590	4.5
143.08513	4.0
145.10080	7.0
147.08038	6.4
147.11626	3.9
149.05891	2.2
149.09596	3.2
153.09091	3.9
157.10056	3.7
157.12263	2.4
159.11684	2.5
161.09621	2.3
161.13161	2.4
163.11194	2.2
165.09152	3.4
171.10086	2.6
175.11073	2.8
185.13364	1.8
193.12253	3.7
203.12729	15.6
221.11613	1.9
223.13245	12.2
225.14763	3.2
245.18832	2.0
273.18439	17.2
291.19498	100.0
292.19803	5.6
295.43021	1.9
301.47363	2.0
305.21063	23.5
306.21384	2.3
312.87936	2.0
323.22171	14.0
323.25925	5.6
326.10556	1.8
346.30038	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.6
55.01865	13.7
55.05502	38.7
56.04222	2.5
57.03411	7.0
57.07062	3.7
59.04977	3.6
60.46877	2.5
65.03919	5.8
67.05499	79.1
69.03399	10.3
69.07057	26.6
69.84138	17.6
71.04983	6.0
79.05482	61.2
81.03416	4.6
81.07047	100.0
83.01324	5.1
83.04966	26.6
83.08601	16.4
85.02885	4.3
85.06546	12.2
91.05468	65.3
93.07034	69.2
95.04948	20.1
95.08599	33.4
97.02879	3.8
97.06512	11.6
97.10159	8.8
98.21474	2.3
99.08040	3.1
105.07021	62.0
107.04949	14.9
107.08586	58.2
109.06471	15.1
109.10144	59.7
111.04425	7.9
111.08050	8.6
117.07012	12.0
119.08572	28.8
119.84443	2.8
120.16674	2.7
121.06496	18.7
121.10120	20.7
123.04429	5.3
123.08015	10.8
123.11681	16.0
125.05956	5.2
125.09609	4.3
128.06184	5.4
129.06978	9.1
131.04958	2.8
131.08562	23.1
133.06502	17.1
133.10117	97.5
135.08040	9.8
135.11653	10.4
137.05930	5.4
137.09615	7.5
139.07513	11.0
143.08524	11.5
145.10085	9.2
147.08044	16.9
147.11650	11.2
149.09584	16.5
149.13165	3.6
151.11157	85.4
156.09511	2.6
157.10071	7.4
159.08058	3.4
159.11681	6.0
161.09592	14.4
161.13268	4.0
163.11168	7.0
165.09148	3.2
170.97203	2.4
171.11658	9.2
173.09645	5.4
173.13214	3.1
175.11154	8.1
177.09079	13.2
179.10707	13.2
183.13760	23.1
187.11179	3.2
189.12682	6.2
195.13715	3.5
199.11211	3.4
203.14360	4.6
207.13673	3.3
212.96114	3.0
217.12230	4.0
227.17960	3.9
229.14276	3.4
245.18887	16.7
255.17484	5.1
263.20059	17.4
273.18497	44.5
291.19513	68.6
292.19785	4.3
305.21091	14.8
323.22125	43.2
324.22379	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	323.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78750	1.1
55.01854	4.3
55.05511	5.6
57.03428	29.7
57.07061	1.4
67.05499	23.0
67.20594	1.3
69.07063	3.6
70.24300	5.4
71.04988	3.9
71.07518	1.2
79.05489	10.5
81.07050	10.2
83.04984	1.1
83.08617	1.5
85.06537	33.2
91.05468	8.7
93.07031	8.7
95.04959	35.3
95.08607	8.2
97.06541	1.9
105.07001	6.6
107.04930	2.2
107.08575	9.3
109.06507	30.7
109.10149	2.5
111.04385	1.4
111.08063	1.2
113.05992	100.0
117.07001	5.0
119.08555	3.5
121.10123	2.4
123.08043	2.0
123.11655	1.2
129.06976	2.8
131.08551	7.8
131.21539	1.0
133.10124	3.6
135.08035	24.5
135.11668	3.3
137.09651	1.2
143.08498	2.6
145.10124	4.5
147.08104	2.0
149.09596	3.0
157.10078	2.2
159.11691	2.5
161.09605	4.7
163.11195	2.3
171.11653	2.1
173.13263	1.7
175.11113	1.7
199.14819	2.5
201.12784	2.2
217.15891	7.8
219.13928	1.5
255.17494	1.7
273.18457	11.8
291.19513	30.5
292.19760	1.6
305.21234	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.1
55.01870	20.1
55.05506	49.5
57.03438	7.1
57.07058	6.4
59.04984	5.7
64.97743	2.7
65.03928	5.3
66.10039	3.0
67.05496	80.4
69.03425	10.1
69.07058	28.5
70.00259	12.7
70.00684	8.1
71.04980	10.3
74.70701	3.0
79.05487	67.3
81.07043	93.1
83.01334	4.8
83.04965	26.1
83.08614	16.7
85.02909	4.1
85.06536	6.2
91.05470	63.2
93.07033	77.1
95.04948	21.7
95.08605	50.3
97.02869	3.9
97.06521	10.9
97.10168	6.8
99.08064	3.9
105.07020	64.1
107.04963	17.3
107.08588	52.2
109.02857	5.1
109.06504	22.9
109.10149	50.8
109.34697	3.5
111.04422	7.8
111.08071	16.5
115.05453	3.7
117.07003	13.9
119.08582	27.0
121.06492	25.4
121.10127	20.9
123.04431	7.7
123.08055	12.3
123.11709	13.1
125.05973	6.5
125.09586	3.7
128.06264	4.1
129.07001	11.4
131.08551	18.9
133.06496	19.8
133.10114	84.4
134.10452	5.4
135.08046	12.2
135.11679	14.0
137.06033	4.4
137.09613	8.1
139.07527	11.4
143.08556	14.5
145.06422	4.8
145.10110	15.5
147.08037	17.7
147.11687	11.0
149.06067	4.1
149.09615	15.1
149.13275	4.6
151.11154	60.6
157.10120	7.6
159.08076	4.1
159.11661	7.1
160.92110	3.1
161.09601	19.2
161.13278	5.2
163.11131	4.1
165.09073	6.0
171.11658	11.1
175.11172	8.9
177.09027	4.8
177.12712	4.2
179.10640	13.3
179.14235	4.1
179.61626	3.2
181.08577	5.7
183.13760	23.8
185.13214	4.7
187.11185	7.3
189.12737	7.4
193.12268	3.7
203.14240	6.4
207.13802	5.0
211.13382	5.0
213.12791	4.1
217.12302	3.6
223.13254	5.0
227.17931	6.3
245.18994	22.9
255.17361	6.4
263.20120	28.7
273.18448	53.0
291.19510	100.0
292.19934	8.8
305.21124	9.2
323.22180	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2164
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.03935	0.6
55.01849	0.9
55.05497	1.7
56.96545	0.5
57.03421	0.9
57.07066	0.6
60.82943	0.5
62.24338	0.4
66.43098	0.5
67.05493	4.4
68.22375	0.5
69.03431	3.5
69.07062	10.3
69.36008	5.5
72.84569	0.4
79.05489	3.8
81.03400	1.9
81.07046	7.7
83.04963	3.9
85.02898	1.4
86.09695	100.0
87.10015	1.5
89.03902	1.7
91.05471	9.5
92.05820	0.7
93.07026	12.5
95.04959	3.0
95.08607	2.8
97.02878	4.2
97.06525	0.8
98.20646	1.2
105.07014	13.9
107.04955	1.1
107.08588	3.1
109.06512	10.0
109.10151	1.8
111.08061	2.6
111.44558	0.5
117.03374	3.0
117.07030	0.8
119.08587	4.2
121.06487	0.6
121.10143	1.0
123.08093	0.9
128.10716	5.0
129.06960	1.1
131.08551	4.6
132.10190	30.2
133.06458	0.8
133.10112	19.2
134.10521	0.8
135.04399	5.2
135.08072	0.6
145.02812	4.0
147.11664	13.5
149.09608	1.5
149.13268	0.9
151.07536	2.7
151.11159	43.1
152.11528	1.1
156.10182	1.3
163.03885	29.3
165.12784	1.6
175.11176	3.7
192.13968	0.6
193.12218	4.4
210.14915	0.6
214.76851	0.5
222.14859	1.4
260.20029	6.3
278.21112	24.9
279.21542	1.8
302.39917	0.5
306.20554	3.5
324.21616	13.9
325.09418	1.6
325.21930	1.1
337.61700	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.5
55.01850	0.6
57.03413	0.6
66.41433	0.3
69.03403	2.5
69.87321	1.3
69.87756	0.9
71.04979	0.4
73.02887	1.0
78.03944	0.3
79.05458	1.0
81.03387	1.4
81.07021	0.6
83.04982	0.4
85.02877	1.5
89.03894	1.7
91.05457	0.8
93.07048	0.6
95.04951	0.5
97.02867	3.2
98.20657	0.4
99.04432	0.6
105.03380	0.6
105.07022	0.7
107.04917	0.4
107.08549	0.8
109.02847	0.8
115.05412	1.7
117.03368	2.6
117.06989	0.4
120.04424	1.4
121.06428	0.3
121.10096	0.6
123.08029	0.5
124.07652	0.3
127.03887	0.9
130.02869	2.1
130.06470	1.1
133.02786	1.4
135.04390	5.4
135.08037	0.5
137.05954	1.0
140.38736	0.3
142.06511	2.3
145.02826	3.1
145.05095	0.3
146.05922	0.5
147.07973	0.5
148.03835	0.5
152.04922	0.4
152.14392	0.4
154.06438	0.7
162.05460	0.7
163.03876	21.2
163.07457	0.5
164.06975	0.7
169.07571	4.2
170.05977	16.3
171.06235	0.5
175.07506	0.4
179.06055	0.4
180.04295	0.4
181.07556	1.1
182.06006	0.8
184.07561	0.5
184.65811	0.3
188.06953	0.4
191.08099	1.0
195.09189	0.8
196.07547	0.7
197.07040	17.3
198.05469	13.6
198.07237	0.6
201.05617	0.4
205.07649	0.4
209.07100	1.4
216.06590	1.6
223.08603	1.8
224.07086	0.7
224.09314	0.8
225.06540	48.8
226.05099	2.3
226.06606	2.2
235.04976	0.4
235.08618	1.6
237.06540	1.3
238.07521	0.4
250.07344	2.9
251.04564	0.9
251.08138	4.5
253.06032	21.4
253.09666	1.1
254.06331	0.7
263.08047	1.2
266.06836	0.5
279.07565	2.6
280.08447	0.4
281.09216	0.4
297.08710	1.4
307.08041	0.4
325.08124	100.0
326.08490	4.6
340.22336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.2
54.80975	1.7
55.01866	7.3
55.05502	8.7
56.05022	1.8
56.96560	51.4
57.03429	11.7
59.04985	2.5
60.95837	2.3
61.02916	15.8
65.03929	5.3
67.05488	10.9
69.03425	45.3
70.03756	2.6
70.06588	4.9
71.01339	12.8
71.04987	5.5
71.70119	2.8
71.95250	2.9
72.04478	2.7
72.08146	5.4
73.02905	12.0
74.06070	4.0
74.97592	2.7
79.05488	36.2
79.95696	2.0
81.03402	57.8
81.07041	22.3
82.03748	2.4
82.04175	2.0
82.06580	2.0
83.04969	19.2
84.08129	21.2
84.96026	21.9
85.02898	51.3
85.06516	2.2
86.06059	1.9
86.09711	2.7
87.04471	4.1
91.03954	2.4
91.05472	36.9
93.07043	4.7
95.04959	29.2
97.02276	2.1
97.02876	31.3
97.06515	5.2
98.06046	3.0
98.97570	42.9
99.04462	6.3
101.00895	4.8
101.02338	2.1
102.97050	3.2
103.00611	2.1
103.05488	3.8
105.00362	4.5
105.01038	2.1
105.07003	2.0
107.04948	27.8
108.05323	2.2
109.02906	9.9
109.06507	14.5
110.97541	10.8
111.04426	18.6
112.05257	1.9
112.99132	2.3
113.00874	2.8
113.03484	2.5
113.05976	3.1
114.10252	1.9
115.02369	11.3
115.03912	2.0
116.01174	1.9
116.98605	33.5
117.02090	2.0
117.04014	2.7
118.06535	4.2
119.01881	24.0
119.04926	21.7
120.02072	2.7
120.98031	2.7
121.01649	4.4
121.02890	3.5
121.06500	8.6
122.07110	1.8
123.02109	2.3
123.04411	28.6
125.00948	1.9
125.05980	3.6
125.46842	1.7
126.02681	2.0
127.02480	2.3
127.03897	12.7
128.10713	3.7
128.98582	19.2
129.01985	2.0
131.00191	2.8
131.01880	19.7
131.04944	2.9
133.01682	3.9
133.03476	11.9
133.07628	6.2
134.05998	2.2
134.99644	25.4
135.03284	3.7
135.04306	24.0
136.04701	2.3
136.06197	3.9
137.02946	5.2
137.05959	11.2
138.02528	3.4
139.02541	3.1
139.03923	4.6
140.00208	1.8
140.98651	3.1
141.03923	2.1
143.00179	4.2
143.01836	13.4
144.98047	2.9
145.01718	2.8
145.03442	11.3
145.04999	5.7
145.07591	100.0
146.08154	2.1
146.99623	18.1
147.03214	3.8
147.04276	13.9
148.07402	2.1
149.02985	2.6
149.05940	17.6
150.02774	2.0
151.02585	2.0
151.03911	3.2
153.04282	2.2
153.05443	9.4
154.03868	1.9
155.00179	5.3
155.01907	6.4
157.03459	12.9
158.99637	18.8
159.05084	4.0
161.01257	8.0
161.02959	29.0
161.06580	2.9
162.99200	3.7
163.02669	4.6
163.03996	13.6
163.06448	2.8
163.08652	64.2
164.07108	2.4
165.00793	3.7
165.04164	2.6
165.05434	14.6
166.08656	2.0
167.00128	3.1
167.05661	2.2
167.07033	4.6
168.98253	2.4
169.01888	3.7
169.03433	22.3
170.03432	3.7
170.99664	5.6
171.03181	3.0
171.05025	9.0
173.01279	7.1
173.02985	11.0
173.06621	2.4
174.99103	9.5
175.02774	4.7
175.04506	3.9
177.00726	31.0
179.00357	2.4
179.02225	3.2
179.04050	5.2
181.00256	2.1
181.01718	5.5
181.03496	13.7
181.04996	16.5
182.03656	2.2
182.99696	3.7
183.03426	3.9
183.05048	11.8
183.06563	8.7
185.01256	8.6
185.02998	10.2
186.99194	5.7
187.02859	3.7
187.04500	7.3
189.00740	8.0
189.02417	2.0
190.98799	2.2
191.02281	2.3
191.03932	3.5
193.00212	3.6
193.01863	4.0
193.03468	11.1
193.08315	3.3
193.09854	4.7
194.99826	2.9
195.05049	15.2
196.02925	3.1
197.01265	6.9
197.02995	15.3
197.06619	3.7
199.02802	7.0
199.04585	14.6
201.00716	9.3
201.04201	9.3
201.05943	3.5
203.02357	4.0
203.04063	12.4
205.00209	2.6
205.03656	5.9
207.05132	5.9
209.01270	5.7
209.03908	7.1
209.06612	3.4
210.04742	7.8
210.54918	3.1
211.02740	7.1
211.04614	15.4
213.00708	12.3
213.04306	2.6
213.06206	5.8
215.02260	5.3
215.04170	5.6
215.07852	2.1
217.00313	2.7
217.05627	5.3
218.04492	4.7
219.01852	13.2
219.05246	5.7
221.03047	5.9
221.05017	4.8
222.05087	2.1
223.01083	3.4
223.04515	20.0
223.08107	2.1
224.04913	2.2
225.00684	6.0
226.05933	3.2
227.02280	7.8
227.04128	9.2
229.00375	2.6
229.03778	4.6
229.05734	4.1
231.01790	3.0
234.99678	3.2
235.04335	4.0
237.00853	3.5
237.02879	8.7
237.06155	2.6
239.02264	6.6
239.04164	5.3
241.03633	2.7
241.05673	14.6
243.01814	2.7
244.09062	2.1
245.02957	2.4
245.05110	5.5
247.04572	5.5
249.06271	3.2
253.05742	4.3
255.01581	3.9
257.03391	7.3
261.03134	7.9
261.06064	3.1
263.03961	4.3
263.14163	3.4
265.05701	5.9
277.01202	2.9
277.05710	3.4
280.05893	2.9
281.15131	5.5
283.00122	3.4
283.06631	5.4
289.05655	3.9
299.04456	2.4
300.97766	2.4
301.00790	10.2
305.10883	3.9
307.06735	4.4
307.17123	3.7
314.21182	2.1
317.05502	2.9
325.07962	21.7
325.14044	75.0
325.18173	9.9
329.05402	2.3
337.33252	2.2
343.08917	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	325.0912
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03931	1.0
57.03414	1.4
63.02367	0.4
65.78762	0.3
69.03419	6.9
71.01324	1.0
71.04972	0.5
71.16601	0.4
71.16912	0.6
79.05458	0.9
81.03403	3.5
85.02882	4.5
89.03911	6.6
91.05457	0.5
97.02885	18.4
99.04440	0.8
101.02354	1.2
103.88724	0.4
107.04958	2.4
109.02866	1.4
117.03362	8.8
127.03899	1.5
129.35712	0.4
135.04399	19.3
136.04739	0.3
136.52301	0.4
141.60301	0.4
145.02838	12.2
146.03235	0.4
163.03882	100.0
164.04251	2.5
181.04977	3.6
193.59177	0.4
265.06937	0.7
307.08026	2.6
325.09100	5.9
325.12680	0.4
342.03992	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0912
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03928	1.1
54.46286	0.3
57.03430	1.9
63.02357	0.5
69.03419	7.9
69.62401	2.3
70.73824	0.3
71.01329	1.0
71.04969	0.6
73.02926	0.3
74.85490	0.3
79.05470	1.5
81.03400	3.5
85.02892	3.2
89.03360	0.4
89.03906	8.5
90.53123	0.3
95.04951	0.5
97.02879	14.6
99.04427	1.1
101.02355	1.0
107.04949	2.7
109.02857	1.0
117.03366	10.9
118.07359	0.3
127.03890	1.2
135.04396	21.7
136.04659	0.4
137.06053	0.3
145.01680	0.7
145.02827	13.6
146.03168	0.4
163.03882	100.0
164.04222	3.1
175.07532	0.6
181.04961	2.8
187.32138	0.3
192.05550	0.3
212.01707	0.3
220.09486	0.3
230.22090	0.3
265.06976	0.5
307.08127	2.1
325.09116	5.4
325.13428	0.4
325.14151	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
54.44913	0.3
57.03426	1.7
69.03416	7.3
69.63232	3.1
71.01325	0.5
71.04980	0.7
79.05463	1.0
81.03404	3.1
81.41863	0.3
85.02892	4.0
89.03902	6.1
94.30560	0.3
95.04965	0.4
97.02876	14.4
99.04440	0.9
100.91647	0.3
101.02390	0.5
107.04948	2.4
107.08595	0.4
109.02863	1.0
115.14293	0.4
117.03369	9.2
118.07568	0.3
127.03831	0.9
134.05669	0.3
135.04398	19.3
137.05952	0.6
145.02821	13.4
146.03127	0.5
163.03876	100.0
164.04207	2.6
166.48924	0.4
176.37016	0.4
181.04863	2.3
250.21887	0.4
307.08057	1.8
325.09113	4.4
343.75919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0912
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03928	1.1
57.03423	1.3
57.21660	0.4
58.95386	0.4
63.02362	0.5
69.03420	5.7
69.56207	0.9
69.56618	2.7
71.01321	0.7
79.05468	1.1
81.03402	2.7
81.07034	0.4
85.02895	3.4
89.03898	5.0
97.02881	15.0
99.04433	1.1
101.02358	0.4
107.04941	2.6
109.02880	1.0
117.03357	8.8
119.32761	0.3
119.71150	0.4
127.03885	1.4
135.04391	16.9
145.02823	13.1
145.03941	0.9
153.85049	0.4
163.03880	100.0
164.04231	2.0
181.04955	2.8
186.55519	0.4
201.49126	0.4
245.03891	0.4
307.08026	2.5
325.09137	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	325.0913
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03934	1.0
55.01857	0.5
55.05520	0.4
57.03416	0.8
57.78798	0.3
69.03418	7.6
69.07037	0.4
70.25404	1.3
71.01340	0.7
79.05476	1.1
81.03402	3.0
85.02892	4.2
89.03909	7.1
91.05451	0.6
95.04961	0.7
96.53563	0.3
97.02875	16.0
99.04429	0.9
101.02356	0.8
107.04934	2.4
107.08592	0.4
109.02873	1.4
117.03366	9.6
119.04988	0.3
127.03889	0.9
133.02849	0.6
135.04396	20.6
137.05940	0.5
137.88635	0.4
145.02821	14.4
163.03877	100.0
164.04231	2.7
181.04951	3.3
201.05490	0.3
204.80740	0.3
210.98007	0.3
253.29741	0.3
294.89972	0.4
307.07925	2.0
315.50595	0.4
325.09091	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	325.0912
Annotation	Skimmin
Peak:m/z	Relative Intensity
50.58151	0.2
53.03927	0.8
55.01853	0.4
57.03446	1.2
65.34349	0.2
67.05483	0.3
69.03420	7.5
70.69498	1.0
71.01331	0.7
71.04974	0.6
73.02876	0.3
79.05476	1.8
81.03403	3.0
81.07035	0.8
85.02893	4.1
89.03903	7.0
91.05443	0.7
93.07027	0.4
95.04961	0.5
95.08618	0.3
97.02878	14.4
99.04430	1.0
101.02326	0.8
103.59586	0.2
104.47823	0.3
105.06982	0.3
107.04951	1.9
107.08589	0.8
109.02861	0.8
117.02552	0.5
117.03363	9.2
122.78659	0.2
127.03912	1.5
133.02823	0.6
135.04399	20.8
135.08012	0.3
136.04779	0.4
137.05940	0.8
145.02831	14.7
147.95464	0.2
163.03882	100.0
164.04242	2.3
175.07527	0.6
181.04945	3.0
259.05951	0.3
307.08026	2.7
325.09180	5.5
325.13275	0.5
331.78683	0.2
335.57382	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19519	0.7
53.03923	3.2
55.01853	3.0
55.27554	0.7
57.03407	3.3
58.78766	0.7
59.04980	0.8
61.02925	0.7
69.03417	22.3
70.85571	2.4
71.01323	1.8
71.04980	5.1
73.02888	1.3
79.05463	1.3
81.03400	16.1
85.02877	2.7
85.03342	0.7
89.03870	3.8
91.05433	1.5
97.02871	5.7
99.04426	6.8
107.04934	2.2
117.03374	5.3
117.05470	2.3
118.06528	6.0
127.03889	1.0
135.04395	9.4
137.05959	3.5
145.02829	7.9
145.07570	8.1
147.08173	0.9
147.09154	7.5
148.01103	0.7
162.07819	0.9
163.03873	47.2
163.08662	1.6
164.04184	2.0
166.25322	0.8
166.48206	0.8
173.07072	14.0
175.08667	5.4
181.04901	1.5
191.08121	100.0
192.08386	2.6
233.09218	1.0
289.11758	2.2
307.12830	30.3
308.13190	2.2
325.09418	2.0
325.13834	18.6
329.04776	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01868	1.8
57.03431	3.0
61.02916	0.8
68.38063	0.4
69.03422	17.0
70.95257	1.0
71.01334	1.4
71.04979	4.5
73.02901	0.8
75.04459	0.4
81.03406	17.4
82.03718	0.4
82.31072	0.3
85.02882	1.6
89.03888	1.7
89.07117	0.3
91.05449	1.0
97.02873	4.2
99.04436	6.6
107.04942	0.6
109.02811	0.6
116.04954	0.6
117.03330	1.7
117.05466	2.0
118.05752	0.6
118.06516	5.7
127.03899	0.5
135.04396	5.1
135.09274	0.3
137.05992	0.4
145.02823	4.0
145.07585	6.9
147.08051	0.5
147.09152	7.9
151.07344	0.4
162.07866	1.4
162.40172	0.3
163.03885	30.4
163.08604	1.0
164.04221	1.4
173.05609	0.6
173.07091	12.0
173.11552	0.4
175.08665	6.1
181.04877	0.9
190.07410	0.5
191.08128	100.0
192.08499	3.4
205.09798	0.5
213.10060	0.4
233.09224	1.1
289.11838	2.2
300.72852	0.3
307.12842	30.1
308.13239	1.2
325.09286	1.6
325.13882	18.9
326.14182	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1392
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03923	1.0
55.01880	1.8
55.05482	1.2
56.05021	0.3
56.96556	7.2
57.03420	1.3
59.04985	0.5
61.02914	2.0
65.03931	2.0
65.34798	0.4
67.05492	3.5
69.03419	9.6
69.07042	0.4
69.72146	1.6
69.72562	0.6
70.03745	0.4
70.06567	0.6
71.01342	1.1
71.04967	0.9
71.95242	0.3
72.04480	0.4
72.08128	0.8
73.02901	1.8
74.06069	0.5
74.97601	0.4
75.68210	0.3
79.05484	9.6
80.05792	0.4
81.03408	8.6
81.07050	4.5
82.03741	0.4
82.04174	0.8
83.01310	0.6
83.04559	0.4
83.04974	3.6
84.08127	2.4
84.96019	3.1
85.02892	7.2
85.06525	0.6
86.03200	0.4
87.04449	1.6
91.03908	0.8
91.04917	0.6
91.05467	8.4
92.05820	0.5
93.07037	0.7
95.01316	0.4
95.04955	6.7
96.05325	0.5
97.02869	5.9
97.06518	1.3
97.96795	1.4
98.06064	0.6
98.20705	0.7
98.97567	10.8
99.04423	0.9
101.00835	0.4
102.96990	0.4
103.05435	0.5
105.04517	0.4
107.04951	6.4
108.05241	0.4
109.02863	1.4
109.06507	2.7
110.97552	1.9
111.04427	4.3
112.05206	2.1
113.05981	1.0
115.02357	0.4
115.97811	1.1
116.97762	0.4
116.98602	7.5
117.05734	0.7
117.99008	0.3
118.06533	4.1
119.01881	2.8
119.04927	3.6
121.02872	0.5
121.06466	1.4
122.01275	0.4
122.06034	0.5
123.04418	6.9
124.04774	0.6
125.05980	1.0
127.02406	0.4
127.03883	1.9
128.98607	4.6
130.08720	0.4
131.01904	1.8
131.04912	0.5
133.03450	0.6
133.07584	4.6
134.03479	0.5
134.05957	0.6
134.99654	4.0
135.04398	5.1
136.07452	0.3
137.02957	0.5
137.05959	2.7
139.03908	0.3
140.00180	0.4
143.00162	0.7
143.01881	1.3
145.07585	100.0
146.06061	0.4
146.08086	2.7
146.99643	3.3
147.04375	3.2
147.09125	0.7
149.05951	2.4
150.05450	1.0
150.07715	0.7
152.05644	0.9
153.00761	0.3
153.05447	1.0
153.06509	0.7
154.03882	0.4
154.94110	0.4
155.00104	1.0
155.01878	0.9
156.07739	0.3
156.98087	0.7
157.01520	0.4
157.03481	0.7
157.98808	0.5
158.99641	4.5
160.02016	0.5
161.01215	1.2
161.02913	2.0
161.98331	0.4
162.05304	0.4
162.99078	0.6
163.02708	0.8
163.03926	0.8
163.05049	5.5
163.08643	62.1
164.05719	0.4
164.07037	0.9
164.08919	1.7
165.00670	1.0
165.05493	2.8
167.06944	0.6
169.01656	0.5
169.03435	1.3
170.99622	0.9
171.03110	0.6
171.05080	0.6
172.95261	0.5
173.01216	1.7
173.02968	1.2
174.53984	0.7
174.99135	2.6
175.02788	0.6
175.04472	0.8
177.00693	5.5
179.00230	0.4
179.02083	0.4
181.01706	0.6
181.03412	1.1
181.04887	0.6
182.99713	0.6
183.05037	0.8
183.06522	2.7
185.01173	2.0
185.02853	0.7
185.06572	0.5
186.03606	0.5
186.99168	0.8
187.02641	0.7
187.04378	0.4
189.00691	1.1
193.00160	0.8
193.01794	0.4
193.03470	1.3
193.08310	1.6
193.09854	0.6
194.03455	0.3
194.99570	0.4
195.05003	0.7
196.04356	0.4
197.01227	1.1
197.02759	0.6
197.06560	0.5
198.99139	1.0
199.02773	1.3
199.04478	0.6
200.02116	0.5
201.00702	1.3
201.04169	3.4
201.05927	0.7
201.54372	0.5
203.02216	0.9
203.03957	0.8
204.03151	0.3
205.03635	1.4
207.05061	0.6
209.01114	0.8
209.03990	1.6
210.01950	0.4
210.04675	1.8
211.02689	1.5
211.04533	1.8
213.00662	0.8
215.02304	1.0
215.07608	0.5
217.00211	1.2
217.03732	0.6
218.01012	0.4
219.01787	2.9
219.05135	0.4
221.01172	0.8
221.04997	0.8
223.02731	0.4
223.04530	2.1
225.00616	1.0
225.05896	0.4
226.05824	0.5
227.02136	1.5
228.02881	0.9
229.00211	0.8
229.03767	0.7
231.01561	0.4
235.04610	1.4
235.10832	0.4
236.04294	0.4
237.00650	0.8
237.02782	2.1
239.02249	1.4
243.01747	0.8
247.04570	0.8
253.05659	0.6
255.01691	1.7
257.03320	1.4
257.06992	0.5
259.01331	0.4
259.04422	0.3
265.05563	0.8
265.56909	2.1
266.07095	0.5
267.01657	0.7
269.03333	0.8
271.01639	0.3
271.04764	0.5
273.02841	0.9
275.04156	0.7
277.05389	0.4
279.01596	0.7
281.03290	0.9
283.06613	0.7
287.04385	0.5
287.09750	0.6
295.06961	0.3
297.02765	0.8
299.04593	0.3
305.10748	0.5
307.06543	0.7
315.03888	0.6
319.03436	1.9
325.13907	69.6
326.14343	2.9
329.05283	0.5
339.03885	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.3
53.03922	0.9
55.01873	0.4
55.05518	0.3
57.03433	1.2
61.02914	0.4
63.02365	0.3
65.05804	0.2
67.05485	0.4
69.03419	7.3
69.99715	1.5
71.01334	0.9
71.04967	0.7
73.02914	0.3
77.03910	0.3
79.05499	1.3
81.03402	3.1
81.07059	0.5
85.02892	4.0
87.76224	0.3
89.03906	6.4
91.05443	1.2
95.04951	0.4
95.08569	0.4
97.02879	14.4
98.03190	0.4
98.21552	0.3
99.04422	1.1
100.91633	0.2
101.02352	0.7
103.05437	0.7
104.06197	0.3
105.06992	0.4
107.04939	2.3
107.08553	0.6
109.02855	1.3
109.10180	0.3
115.05441	0.7
117.03360	8.9
117.06995	1.1
118.03683	0.3
119.04954	0.3
119.08551	1.0
122.03642	0.8
127.03912	1.4
128.06209	0.3
129.06969	1.1
131.04912	2.0
132.05673	0.8
135.04398	18.5
136.04697	0.6
137.05960	11.4
138.06236	0.4
141.06998	1.4
145.02827	13.0
145.06496	0.5
146.03148	0.5
147.04283	0.3
147.08043	3.7
151.07478	0.3
155.09662	0.2
157.06459	0.3
158.07137	0.3
160.05190	0.6
161.05936	0.9
163.03880	100.0
163.07506	2.0
164.04210	4.2
169.06445	2.7
175.07529	10.5
181.04935	2.6
187.07465	0.4
189.09071	1.0
201.09029	1.4
233.09572	0.5
240.40233	0.2
261.09009	0.4
265.11935	0.4
268.19028	0.2
293.11520	0.5
297.10971	0.3
307.08032	2.4
325.09192	4.4
325.14273	6.4
326.09479	0.3
326.14630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1434
Annotation	Hinokitiol glucoside
Peak:m/z	Relative Intensity
52.78983	0.4
53.03928	1.7
55.01855	1.6
55.05492	0.9
57.03436	4.0
61.02918	7.7
67.05488	2.0
69.03419	24.1
70.06583	0.8
71.01320	0.7
71.04990	2.3
72.08146	1.4
73.02908	4.2
79.05489	0.8
81.03408	8.5
81.07053	0.9
83.01347	0.9
83.04953	0.5
85.02893	33.8
86.09693	0.9
87.04459	6.0
89.06019	8.0
91.03933	2.8
91.05470	2.1
93.07034	1.5
95.04943	0.9
95.08598	7.1
97.02880	17.2
98.98451	100.0
99.04425	3.1
101.02374	1.1
105.07011	0.9
107.08588	0.7
109.02859	4.5
109.10150	1.3
112.02159	0.8
115.03872	1.0
116.99495	2.8
117.07034	0.6
119.04928	0.6
119.08557	1.4
123.08054	5.4
124.07576	0.5
127.03896	11.3
131.08601	0.4
133.06502	1.1
133.08566	3.9
134.04582	1.4
135.04388	0.5
137.05980	0.8
137.09596	1.1
138.09070	0.4
140.01022	0.4
145.04955	8.0
147.04362	0.6
147.08031	2.7
149.09612	7.4
163.03888	0.9
163.07520	2.4
164.04237	0.5
165.02258	0.8
165.09093	50.9
166.09496	1.4
174.99205	13.0
177.11250	0.7
182.04950	5.0
186.02219	0.8
208.02837	4.9
226.10980	0.4
251.00038	1.6
295.09027	0.4
327.14371	27.8
328.14688	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32756	2.1
53.03933	7.6
55.01844	2.7
55.05494	10.0
57.03426	3.6
57.07074	3.0
67.05492	22.1
69.07053	11.8
69.41525	18.4
71.04992	3.2
79.05484	19.3
81.03385	2.5
81.07052	26.4
83.08607	4.8
84.52788	2.2
91.05469	30.0
91.64016	2.1
93.07030	55.3
93.07590	4.7
95.04954	59.8
95.08006	3.7
95.08591	46.3
97.06498	8.6
98.98454	100.0
105.07018	44.7
107.08572	26.1
109.06500	9.5
109.10165	18.4
111.66786	2.2
115.05410	4.1
116.06323	2.3
116.99490	2.3
117.07011	14.0
119.08568	48.0
121.06494	16.6
121.10120	25.3
123.08051	6.7
123.11664	4.9
129.06972	6.9
130.07768	6.1
131.08571	20.5
133.10114	32.3
135.08051	7.6
135.11673	9.4
137.09584	3.1
142.07735	11.2
143.08513	16.5
144.09390	3.6
145.06500	2.7
145.10098	35.1
147.11610	10.6
149.09579	3.0
149.13258	3.0
152.06171	13.9
153.06947	8.4
155.08513	7.9
156.09312	7.7
157.10100	26.4
158.10867	3.7
159.08174	4.6
159.11681	26.5
161.09605	11.7
161.13260	5.4
167.08514	5.0
168.05695	4.6
169.10086	11.8
170.10815	3.2
171.11710	10.7
172.86479	2.7
173.09637	2.5
173.13226	12.7
174.99176	10.8
175.11223	2.8
175.14807	13.2
181.10072	4.1
183.11705	8.6
185.13280	7.3
187.11134	4.5
187.14825	10.5
195.11632	3.9
197.13225	8.8
199.14804	5.3
201.16287	4.6
209.13213	5.4
211.14894	5.3
213.16310	3.0
215.02487	3.0
217.15907	5.2
223.14914	4.0
225.16170	3.5
227.14412	3.5
228.09178	3.5
229.15895	3.0
233.03578	8.6
234.03870	2.9
235.14807	4.6
251.04735	7.4
253.15923	3.1
291.20929	2.6
309.22086	7.7
327.07721	36.0
327.23026	16.5
328.08176	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	3.2
54.34639	1.6
54.76321	1.9
55.01851	2.2
55.05502	10.7
57.07055	4.4
57.47521	1.8
67.05496	20.9
69.07056	12.2
71.07608	6.6
75.58137	2.1
79.05486	16.4
81.03397	2.5
81.07040	21.8
83.08582	3.9
91.05462	26.2
93.07034	50.3
95.04949	53.4
95.08592	32.4
97.06510	11.1
98.98454	100.0
103.05438	2.8
105.07021	33.9
107.04951	2.1
107.08566	25.2
109.06499	8.0
109.10134	14.1
111.08035	2.5
111.28638	1.7
115.05439	5.9
116.99477	2.6
117.06982	10.4
119.08557	46.8
121.06514	12.3
121.10139	21.7
123.08060	8.1
123.11720	4.1
128.06204	4.3
129.07019	5.4
130.07774	4.1
131.08531	16.5
133.06494	2.1
133.10114	32.4
135.08055	5.7
135.11671	12.3
137.09634	3.5
142.07741	6.0
143.08549	16.3
145.10101	27.9
147.08061	2.3
147.11696	11.5
149.09558	4.0
149.13188	2.6
155.08501	3.9
156.09332	5.3
157.10123	21.7
158.10872	5.6
159.08020	3.2
159.11656	27.8
161.09615	6.6
161.13199	3.7
167.08549	3.0
169.10115	10.3
170.10889	2.6
171.11584	9.5
173.09435	2.1
173.13225	9.8
174.99191	13.2
175.11232	3.0
175.14795	15.6
179.08467	3.6
181.10081	4.0
182.10852	2.7
183.11737	10.1
184.12320	2.5
185.13188	6.0
187.11159	6.7
187.14801	11.2
193.10095	3.0
197.13287	5.4
199.14784	8.4
201.12880	2.7
201.16383	2.5
205.15884	2.8
209.13239	6.9
211.14824	7.4
213.16353	3.9
217.15811	4.7
221.13300	4.0
223.14784	2.5
225.16371	2.6
229.15942	3.0
235.14838	3.5
269.71628	2.0
309.22055	5.3
327.08145	2.3
327.23077	11.7
328.88235	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65600	0.5
55.01857	1.5
55.05504	19.2
57.03427	0.8
63.35936	0.6
64.73773	0.5
67.05499	5.8
69.03398	2.7
69.07070	5.5
70.30816	3.0
72.99618	0.5
73.27132	0.5
79.05482	9.7
80.31699	0.6
81.07048	5.4
83.04976	2.1
83.08614	14.1
85.06548	0.6
87.14169	0.5
91.05482	4.2
93.07026	3.0
94.94287	0.5
95.04961	0.7
95.08604	2.9
97.06520	5.3
97.10158	27.6
98.98454	100.0
105.07007	4.7
107.08582	28.7
109.06477	1.2
109.10117	1.0
111.08028	0.6
116.99500	4.1
117.07029	1.1
119.08556	1.8
121.10152	1.5
123.66970	0.6
124.11204	0.8
125.09621	22.0
128.30969	0.6
129.06941	0.6
131.08528	1.2
133.06456	0.7
133.10129	3.4
135.08023	1.4
140.01053	1.1
143.10663	1.3
145.10074	3.0
147.11679	2.5
149.09579	1.1
149.13226	0.7
153.09096	1.3
157.10164	0.7
159.11713	1.0
161.13216	0.9
163.11237	0.7
171.10139	1.8
174.99228	8.5
175.99620	0.6
176.98943	3.4
181.12189	0.9
185.13287	0.6
187.11218	0.7
189.11208	34.8
215.10684	1.7
231.38463	0.6
239.18002	0.6
247.20892	0.5
251.00114	0.8
252.99779	0.9
257.19009	2.4
275.20029	18.1
293.21146	1.7
329.17392	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17429	0.4
53.03957	0.4
55.01854	0.5
55.05501	1.6
57.03426	0.6
60.95839	1.1
67.05499	2.9
67.05786	0.5
69.07047	2.5
71.04953	0.4
71.71434	0.7
75.90670	0.4
79.05460	2.5
81.07045	3.9
83.08623	0.7
91.05477	1.7
93.07024	2.2
95.04940	1.1
95.08598	2.2
97.06514	2.0
98.09660	0.9
98.98448	100.0
105.07017	1.7
107.08562	1.3
109.06522	0.8
109.10207	0.5
116.99483	3.9
119.08568	2.0
121.10138	0.9
123.11695	0.5
133.10101	1.4
135.08093	0.5
135.11661	1.3
137.09544	0.5
140.01068	1.0
143.29134	0.5
145.10083	0.7
147.11696	0.9
149.09601	0.6
157.10095	0.5
159.11752	0.8
161.13232	0.4
174.99188	7.3
175.99533	0.6
176.98912	2.9
181.12236	0.9
195.13702	0.5
233.11543	0.5
250.99947	0.7
252.99767	0.8
275.19992	1.2
328.23831	0.6
329.17563	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
55.01847	1.6
55.05490	3.5
56.93368	0.9
57.03426	5.8
59.04980	1.9
61.02908	1.6
67.05495	4.7
69.03426	6.9
69.07065	2.2
69.45577	6.7
69.46004	2.8
71.04970	1.3
75.04465	5.4
79.05486	13.8
81.03396	3.5
81.07044	13.8
83.04960	2.0
85.02900	21.5
87.04456	3.8
91.05476	12.6
93.07033	66.7
95.04952	8.3
95.08596	8.9
97.02885	5.6
97.06504	3.2
98.98457	100.0
99.04449	1.8
103.05439	1.3
105.07031	10.3
107.04939	1.4
107.08572	5.5
109.02853	2.0
109.06521	2.2
111.04422	2.0
111.08054	8.0
115.03930	1.6
116.99494	3.8
117.07035	1.4
119.08591	4.7
121.06485	1.9
121.10130	89.8
122.10435	1.1
123.08047	3.6
123.11682	3.0
125.05970	4.2
127.03893	3.6
131.08545	3.7
133.10109	2.1
135.08170	0.9
135.11613	1.5
137.05959	3.1
139.11188	12.2
143.08521	1.2
145.04938	2.0
145.10150	1.4
149.09613	7.8
151.07599	1.5
153.05429	1.4
161.05966	1.6
163.03885	1.1
163.11189	1.3
167.10670	9.4
174.99191	7.0
176.98906	3.6
191.10670	1.6
205.04771	1.2
215.10492	1.3
217.40405	0.9
222.30571	1.0
223.07516	2.2
248.61189	0.9
251.07013	1.8
269.08096	1.5
283.09698	2.6
315.08887	1.5
329.10251	1.9
330.10727	1.1
335.97433	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1743
Annotation	Triptoquinone A
Peak:m/z	Relative Intensity
55.01871	6.1
55.05500	4.9
57.03427	7.6
67.05494	4.7
69.03384	1.1
69.06749	0.8
69.07069	11.3
71.10035	1.1
71.10385	2.8
79.05485	14.2
81.03381	2.4
81.07040	8.0
83.04978	3.2
83.08601	1.6
87.67950	0.9
91.05467	3.2
93.07014	2.8
95.04959	2.2
95.08584	3.9
97.06517	77.4
98.98452	100.0
99.08031	1.4
100.98870	1.0
103.05433	1.5
105.07008	2.6
107.04929	1.4
107.08582	1.6
109.10139	1.3
115.03883	2.3
115.05421	2.2
116.99498	2.0
117.06989	3.4
119.04926	1.5
119.08558	2.3
121.10107	1.1
128.06219	3.2
129.06961	4.3
131.04887	2.0
131.08545	2.8
133.06456	1.8
133.10126	1.2
137.05956	4.1
141.06949	3.5
142.07701	1.2
143.08522	3.8
144.05667	1.6
145.06444	4.4
145.10106	1.0
147.08051	1.2
149.05885	1.0
153.06961	1.6
154.07753	3.2
155.08539	2.1
157.06465	3.9
157.10089	2.6
159.08038	5.3
159.11636	1.4
161.05933	3.3
161.09593	1.1
161.13249	1.8
163.07533	1.2
165.06955	1.1
166.07497	1.2
167.08430	1.7
168.05695	1.3
169.06464	2.9
169.10097	6.1
171.07997	3.0
171.11687	1.5
173.05998	5.3
173.09610	3.4
174.06654	0.9
174.54990	0.9
174.99193	9.0
175.07530	3.0
176.98868	5.1
177.09143	1.7
181.06433	1.6
181.10040	1.2
182.07205	1.4
183.08054	2.3
183.11633	1.6
184.05200	2.0
185.05983	3.7
185.09584	5.7
186.06766	2.7
187.07503	4.1
187.11154	2.4
189.09044	2.0
189.12373	0.9
193.10161	1.6
195.08022	2.7
197.09569	7.0
198.10255	1.3
199.07506	4.2
199.11078	3.4
201.09131	7.0
203.07027	3.7
203.10655	2.2
205.12251	1.6
211.07590	2.0
211.11186	4.8
213.09103	12.2
214.09894	3.1
215.10640	42.0
216.10814	0.9
216.63933	1.0
223.11153	1.2
225.09151	2.9
227.10606	1.6
229.08539	1.9
229.12231	6.6
231.10132	4.3
232.10872	4.6
233.11746	11.5
238.09912	1.3
239.10590	3.8
239.14291	2.8
241.12192	1.6
243.10078	3.7
252.99709	1.3
255.13702	2.8
257.11682	2.6
257.15390	1.7
259.13187	1.6
261.11124	2.6
264.11401	1.0
265.15686	1.1
267.13733	5.2
283.16901	2.7
285.11798	1.7
285.14789	9.6
287.12735	5.7
293.15308	2.0
311.13071	1.6
311.16391	18.4
329.17392	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1093
Annotation	Fluridone
Peak:m/z	Relative Intensity
52.09283	0.3
55.05497	0.3
58.30822	0.3
62.28354	0.3
67.05479	0.7
69.03419	0.6
69.42728	0.3
71.04989	0.4
71.50108	0.6
73.25347	0.3
80.11385	0.3
81.03397	0.3
81.06675	0.3
81.07047	3.3
85.02894	0.4
93.07042	0.4
95.04900	0.6
95.08582	0.6
97.02884	0.4
97.06396	0.3
97.10143	0.4
98.98451	5.9
123.11691	2.7
151.11171	0.7
152.06203	2.6
153.06821	0.4
154.04086	0.5
155.04916	0.3
156.89456	0.3
169.12090	0.4
174.99284	0.4
176.98813	0.4
180.05649	3.4
181.06393	0.7
194.03656	2.3
196.05164	1.0
197.05872	0.5
198.06735	0.8
198.74173	0.3
208.05167	53.8
209.05644	2.7
211.03900	2.5
212.04623	1.4
216.62822	0.3
222.03015	1.7
224.04684	1.6
225.05408	3.1
226.06195	3.2
227.06879	1.6
229.04916	1.3
236.04657	11.5
237.05067	1.1
238.06241	0.5
239.03348	0.6
239.07048	0.4
240.04138	8.4
241.04732	0.9
241.08440	2.0
244.07277	0.7
250.02562	0.4
253.04953	1.0
254.05724	13.5
255.06346	1.4
256.07199	0.4
257.01959	0.2
257.04428	5.7
257.08081	0.5
264.04190	1.6
267.06439	1.0
268.03625	4.6
269.08057	37.7
270.05530	0.4
270.08459	2.2
271.05984	3.2
271.09552	1.2
272.06744	6.2
273.07269	0.6
282.05197	5.6
283.05701	0.8
285.07800	0.4
286.04706	1.6
286.08368	1.0
287.09097	5.0
297.07535	1.6
299.05591	0.8
299.09039	0.8
300.06216	4.6
301.06958	4.6
310.08798	0.6
313.07965	0.7
314.07684	0.4
315.08578	100.0
316.08939	6.5
330.10941	86.5
331.07889	0.5
331.11478	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	330.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
57.03415	2.0
61.02910	2.6
67.05489	6.8
69.03421	6.6
69.07035	3.5
69.17398	0.8
70.06575	2.7
70.59837	3.0
71.04955	1.3
73.02907	1.8
79.05492	1.0
81.03395	3.1
81.07021	0.9
83.40333	0.8
84.08153	0.8
85.02893	12.1
86.09688	1.1
87.04435	2.2
93.07004	1.0
93.36626	0.8
94.06554	7.3
95.04933	2.2
95.06825	0.8
95.08605	0.8
97.02901	4.7
97.06522	1.0
98.98454	93.8
99.04446	1.5
100.98875	1.3
105.07021	1.2
106.06534	1.8
107.04944	1.2
107.31661	0.9
109.02821	2.2
116.07063	1.1
116.99467	3.6
121.06419	1.4
122.06007	15.7
127.03884	3.5
138.05385	1.1
140.07022	4.0
145.04927	1.5
149.05951	1.2
150.05479	76.1
151.05919	0.9
151.07480	1.3
151.08630	1.2
152.07014	1.0
168.06544	100.0
169.06898	1.8
169.09708	1.6
174.99202	3.6
176.98882	6.0
215.13919	1.0
217.95120	0.9
294.09830	1.1
312.10754	1.4
330.11783	31.8
331.13043	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	330.1179
Annotation	Lithospermoside
Peak:m/z	Relative Intensity
52.97477	0.5
53.03934	1.2
55.01860	0.7
55.05502	0.4
56.05029	0.6
57.03419	1.5
57.31919	0.4
61.02908	1.9
65.03913	0.7
67.05187	0.6
67.05499	8.8
69.03424	6.2
69.07050	1.1
69.89116	2.1
69.89529	1.1
70.06586	4.2
72.99231	0.5
73.02901	1.4
74.06069	0.5
81.03388	2.6
81.07018	0.4
84.08104	0.5
84.27408	0.5
85.02892	10.9
86.09688	2.3
87.04446	1.6
91.03889	0.5
94.06553	8.3
95.04969	0.9
97.02889	3.0
98.21415	1.0
98.98454	48.3
99.04427	0.5
100.98874	0.6
105.70219	0.5
106.06532	2.0
107.00567	0.4
109.02869	1.3
116.07076	1.5
116.99487	2.0
121.06471	0.7
122.06011	18.7
122.06779	0.7
124.07535	1.0
127.03889	2.8
136.07471	1.1
140.07065	2.5
145.04953	1.5
149.06007	1.1
150.05478	81.7
151.05824	1.2
152.07088	0.8
168.06537	100.0
169.06909	2.7
174.99147	2.3
176.98891	2.7
312.10709	1.1
330.11774	30.5
331.12640	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1172
Annotation	(2R)-5-Hydroxy-7,2',3'-trimethoxyflavanone
Peak:m/z	Relative Intensity
51.09130	0.6
53.00293	0.8
53.03938	1.3
55.01859	2.0
55.05507	6.0
57.03431	1.7
57.07065	2.1
60.89151	0.8
61.36438	1.0
62.19352	0.9
65.03927	1.2
67.01863	8.2
67.05499	13.2
68.99786	1.5
69.03419	5.7
69.07056	4.0
70.04858	2.9
70.05296	2.1
71.04974	5.7
79.05484	6.5
81.03406	5.1
81.07047	45.1
83.04973	2.3
83.08605	2.3
85.02888	4.9
85.06518	4.7
89.03898	1.1
89.06014	1.3
91.05470	6.1
93.07032	7.8
95.04961	6.2
95.08588	11.6
97.02867	2.2
97.06516	3.5
97.10171	4.6
98.06890	1.1
98.98455	100.0
99.04441	2.8
99.08099	0.9
100.98888	2.3
103.05460	2.0
105.03391	2.2
105.07037	5.8
107.04932	2.0
107.08589	3.9
109.02872	3.0
109.06516	3.9
109.10133	3.9
111.04443	5.8
111.08054	1.6
115.53875	0.8
116.99464	3.5
117.03380	2.0
117.07003	1.4
118.04149	1.1
119.04933	2.6
119.08553	2.6
120.05682	1.2
121.10145	2.1
123.03617	1.2
123.04416	14.4
123.08054	1.6
123.11688	26.1
127.03915	2.4
129.07013	1.0
131.04922	0.9
131.08530	1.0
132.05705	2.7
133.02834	14.0
133.06482	2.6
133.10118	5.3
135.04385	2.9
135.08017	1.4
135.11667	1.1
137.05936	3.9
137.09602	0.9
139.03902	1.1
139.07539	1.8
140.01056	0.9
141.12704	1.2
143.08566	1.6
145.02849	1.0
145.10132	2.5
147.04395	3.0
147.11668	1.6
148.05191	7.5
149.05904	0.8
151.03873	9.7
151.07526	3.5
151.11205	4.8
155.08566	1.6
157.06485	1.5
157.10106	1.8
157.92038	0.7
159.11690	2.1
160.05203	3.3
161.05972	1.3
161.13322	1.1
163.03885	11.6
163.07530	17.5
165.05588	1.5
165.06889	1.5
165.09155	2.5
167.03381	89.6
168.03746	2.1
169.06493	0.9
169.10031	0.9
169.12247	6.2
171.11662	1.1
174.99232	4.1
175.03928	2.6
176.04759	3.6
176.98869	7.2
177.05486	1.5
181.04938	1.0
181.06447	1.7
183.07971	1.7
185.04436	28.9
187.07573	0.8
187.13280	6.3
191.03334	3.0
191.07008	71.6
192.07364	1.2
193.04926	10.3
193.06491	0.8
194.58174	0.7
197.05997	0.8
209.05667	0.9
210.06758	1.2
211.07565	1.6
213.05370	1.0
215.07014	0.8
226.71696	0.7
227.07048	1.6
228.07767	1.0
229.08528	1.5
238.06216	0.9
243.28975	0.8
250.09624	1.9
253.08580	1.3
255.06400	1.5
256.07034	1.0
270.08527	1.0
271.09634	1.7
287.05753	0.8
289.10770	1.3
295.06143	1.0
306.50412	0.7
313.07059	3.1
313.10800	1.4
313.16870	2.8
313.21252	0.9
315.04901	2.2
316.08890	1.3
331.08139	5.1
331.11713	58.3
331.18097	3.2
331.22739	2.3
332.11853	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1283
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
53.03928	0.4
55.01868	2.8
55.05488	1.4
57.03422	0.4
57.07047	0.5
57.12513	0.3
61.87197	0.3
65.03905	0.4
67.05494	2.6
69.03413	1.7
69.07043	1.1
71.04965	1.7
71.25333	0.5
71.25655	0.6
73.02859	0.4
79.05462	1.2
80.04988	0.5
81.03391	1.2
81.07044	11.6
82.06531	0.6
83.08618	0.6
85.02885	1.2
85.06516	1.0
88.13423	0.4
91.05450	0.7
93.07006	1.7
94.06544	2.0
95.04922	1.2
95.08593	2.4
97.02879	0.6
97.06516	0.8
97.10140	1.2
98.06026	0.5
98.98453	6.6
101.78430	0.4
105.07026	0.9
106.06554	2.2
107.08566	0.8
108.04456	4.8
108.08069	0.7
109.02826	0.6
109.06505	0.6
109.10141	0.4
110.06021	1.0
111.08029	0.4
119.08586	0.6
120.08057	0.9
121.10107	0.4
122.05991	3.6
123.04379	0.4
123.11693	7.2
124.07536	0.7
127.11150	0.3
130.06442	0.4
132.08034	0.7
133.07520	0.5
133.10115	1.0
134.06029	2.9
135.11716	0.4
136.03905	2.8
136.07533	0.6
137.05936	1.0
140.07051	0.7
144.08099	0.5
147.10541	0.3
148.03886	0.5
148.07565	1.5
150.05452	1.4
151.11162	1.2
152.06981	0.4
156.08003	0.7
157.08810	0.4
158.09627	1.4
159.09160	0.4
160.07564	0.5
161.07076	1.5
162.05475	7.5
163.06232	0.9
164.07043	2.4
166.04956	0.6
168.06580	1.5
168.07961	0.6
169.07596	1.0
169.12190	1.8
170.08171	1.4
170.09641	2.1
172.11188	0.4
173.07098	0.4
173.10727	1.4
176.07037	2.2
182.08263	0.5
183.09137	1.2
184.07564	1.5
184.11182	1.0
185.10713	1.1
186.07753	2.2
186.09265	0.5
187.08633	3.0
187.13301	1.3
189.06580	8.4
194.08072	0.9
194.09662	0.4
196.09914	0.6
197.08337	0.5
197.10634	0.6
198.09088	1.5
199.08565	0.9
200.09407	1.6
201.10202	6.7
202.08759	0.5
202.10756	0.5
203.08098	2.7
206.58179	0.4
211.08624	1.7
211.12305	0.6
212.07156	0.7
212.08949	0.4
212.10692	1.6
213.06641	0.7
213.10228	2.4
214.07339	1.7
214.10793	0.9
215.08144	12.6
215.11633	4.8
223.08423	0.4
224.09315	0.6
225.10187	1.7
226.08611	1.5
226.10880	0.6
227.08096	1.6
227.11789	0.5
228.08731	0.9
229.06134	1.0
229.09697	12.4
229.13184	2.5
230.10272	0.4
231.11226	0.8
238.24289	0.5
239.08160	1.0
239.11777	2.5
240.10158	1.3
241.09756	2.1
242.10466	1.2
243.07614	3.1
243.11255	6.6
247.14296	0.6
249.30400	0.4
251.07845	0.7
253.09575	1.0
254.10480	1.1
255.11249	1.2
257.09186	10.1
257.12790	6.9
258.09634	0.5
259.10587	0.8
261.12366	0.6
267.11243	4.3
268.09659	0.8
269.09247	0.8
271.10754	7.0
275.13834	3.3
280.08258	0.7
285.12289	11.6
295.10669	3.9
303.13409	4.0
313.08594	0.4
313.11761	20.3
331.12820	100.0
332.13217	3.1
333.31839	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1381
Annotation	Antirrhide
Peak:m/z	Relative Intensity
53.03933	3.9
55.01852	5.3
55.05487	2.5
57.03421	4.8
67.05496	11.5
69.03426	13.3
71.01530	3.6
71.04967	2.8
79.05477	31.3
81.03401	16.0
81.07041	9.1
83.04956	4.6
84.04493	2.4
85.02886	13.1
86.09692	2.9
91.05454	12.5
93.07030	19.9
95.04971	11.5
95.08586	21.3
97.02877	5.7
97.06503	1.9
98.98450	88.0
99.04430	3.3
100.98843	2.2
103.05434	7.2
103.28430	1.8
104.29719	1.9
105.07014	62.0
106.07384	2.3
107.04921	17.6
107.08561	7.5
108.08101	3.0
109.02844	5.5
109.06482	6.4
115.05417	2.6
116.99477	2.6
117.06927	2.6
119.04938	2.7
121.06501	7.9
123.08038	9.6
124.48142	1.6
125.05952	2.5
127.03916	9.9
129.06978	2.0
131.04909	8.2
131.08545	2.4
133.06467	29.3
135.08008	2.9
139.07483	8.6
143.08440	2.1
145.04971	3.1
145.06570	1.7
149.05952	4.1
151.07521	100.0
152.06950	2.3
163.07487	3.7
167.07005	5.7
169.04944	1.8
169.07089	3.1
169.08517	19.3
169.09770	3.5
174.99178	2.5
176.98900	5.5
179.07011	4.7
181.08525	3.5
187.09621	4.8
188.05539	1.7
197.08034	5.0
223.09746	3.7
253.10938	1.8
265.10846	1.9
277.10675	5.3
295.11795	3.6
309.06549	1.7
314.12320	1.6
331.13733	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1745
Annotation	8-Epiiridodial glucoside
Peak:m/z	Relative Intensity
50.42299	0.6
53.03938	2.3
55.05235	0.8
55.05503	12.1
57.03419	2.3
57.07057	4.0
59.04986	2.2
64.73624	0.6
65.03943	0.8
67.05495	21.6
69.03419	11.3
69.07050	6.2
70.13332	1.2
70.13741	2.8
71.04984	8.4
74.30156	0.7
79.05476	8.4
81.03403	10.4
81.07043	100.0
82.07384	2.9
83.04980	0.9
83.08607	2.3
85.02893	11.0
85.06531	6.0
89.06031	2.3
91.05467	3.4
93.07034	11.5
95.04948	6.7
95.08595	20.1
96.08933	0.6
96.23523	0.7
97.02874	3.5
97.06528	2.7
97.10162	9.3
98.98454	36.8
99.04454	2.7
99.08077	2.6
100.98895	1.4
105.00842	0.7
105.07004	5.5
106.46789	0.6
107.08579	6.4
109.02850	4.7
109.06478	3.4
109.10148	2.9
111.08072	2.6
113.05991	0.7
116.99474	1.2
117.07056	1.4
119.08581	1.5
121.06522	0.9
121.10132	2.5
123.04414	5.7
123.08057	1.3
123.11689	64.0
124.12038	1.9
127.03915	3.9
127.11051	0.8
129.07027	0.7
131.04938	0.6
131.08551	1.4
133.02861	2.9
133.10120	4.9
135.04401	1.1
137.05934	1.7
141.12727	2.9
141.24220	0.9
143.28572	0.8
145.10120	2.4
151.03915	1.6
151.11162	12.5
152.04607	0.8
159.11700	1.0
163.03848	4.4
167.03436	1.5
169.10080	0.9
169.12213	15.9
169.13560	1.1
173.13318	0.9
174.99202	1.5
175.03850	0.8
176.98950	2.4
182.40320	0.7
187.13258	13.2
187.14864	0.9
188.13622	0.8
191.03415	1.0
191.10861	0.9
211.07564	0.7
211.15010	0.7
213.05495	1.0
213.16495	0.7
228.07683	0.7
277.21826	0.8
283.22507	0.6
287.05347	1.1
301.07303	0.8
313.07181	2.2
313.16583	2.2
315.05151	2.5
316.05829	2.1
325.10556	0.7
331.08170	11.5
331.11792	5.9
331.17462	7.4
331.22989	0.9
332.12274	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1748
Annotation	8-Epiiridodial glucoside
Peak:m/z	Relative Intensity
53.03933	2.7
55.01856	1.7
55.05507	12.3
55.22498	0.7
57.03431	2.5
57.07070	3.6
59.04998	1.6
61.02903	0.8
61.74020	0.6
62.06072	1.0
64.62363	0.6
65.03951	1.5
67.05497	21.5
69.03420	11.0
69.07053	6.8
70.13130	3.6
71.04987	12.4
77.03917	0.7
79.05483	10.1
79.84517	0.7
81.03413	9.6
81.07047	100.0
82.07372	1.8
83.05009	1.2
83.08604	3.1
83.58173	0.8
85.02893	11.2
85.06532	6.4
89.06017	2.1
91.05485	4.7
93.07037	11.3
95.04946	6.5
95.08598	20.2
97.02866	3.5
97.06538	2.2
97.10155	9.2
98.98456	45.4
99.04449	2.1
99.08074	1.8
100.11252	1.5
100.98885	1.3
105.03413	1.1
105.07009	6.2
105.89510	0.7
107.04939	0.9
107.08598	5.5
109.02872	5.2
109.06532	2.5
109.10132	4.2
111.08091	3.7
113.05990	0.9
116.99471	1.2
119.08591	1.1
121.10141	3.1
123.04421	8.2
123.08022	1.7
123.11694	65.2
124.12053	1.4
125.09653	1.6
127.03910	4.1
131.08563	1.0
133.02834	7.7
133.10132	6.4
135.04425	2.0
137.05988	2.6
141.12746	2.3
145.02841	0.9
145.10054	1.0
147.04396	1.5
147.11627	1.0
149.09663	1.0
151.03896	5.6
151.11166	12.2
157.10110	1.4
159.11618	1.1
161.13263	0.9
163.03899	6.8
165.06963	1.7
169.10097	0.9
169.12221	15.7
174.99240	1.2
175.03923	1.5
176.98962	2.5
177.05460	1.1
181.06464	1.6
187.13281	15.5
188.13620	1.0
197.06029	0.9
197.13120	0.7
211.07458	1.6
225.09131	0.7
227.07042	0.8
238.06358	1.0
239.07028	0.9
241.04871	0.8
271.09543	1.0
277.21442	1.0
313.07449	2.6
313.16626	3.8
315.05026	1.1
316.09052	2.1
331.08368	1.0
331.11740	12.2
331.17422	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	331.1745
Annotation	8-Epiiridodial glucoside
Peak:m/z	Relative Intensity
53.03940	2.3
54.50854	0.7
55.01853	0.7
55.05503	12.0
57.03422	2.4
57.07072	4.1
59.05000	1.3
59.98262	0.6
61.02917	0.9
67.05495	20.8
69.03420	10.0
69.07066	5.3
71.04975	8.8
71.43725	1.0
79.05475	6.9
81.03403	10.2
81.07042	100.0
82.07388	2.0
83.08604	2.4
85.02892	12.0
85.06533	5.8
89.06019	2.0
91.05470	2.1
93.07034	9.7
95.04951	5.3
95.08590	16.9
97.02878	4.3
97.06541	1.0
97.10156	10.5
98.98449	15.4
99.04437	2.6
99.08089	1.6
105.07030	3.6
106.89415	0.8
107.08588	5.7
109.02846	4.3
109.06524	3.1
109.10093	3.6
111.08051	4.7
113.06002	0.9
119.08553	1.0
121.10123	2.1
123.04412	1.3
123.08072	2.2
123.11685	66.1
124.12037	1.6
127.03925	3.8
127.07532	0.8
131.08551	1.0
133.10106	5.4
141.12729	2.6
151.11148	14.2
152.11459	1.0
163.03937	1.1
169.12212	19.1
176.98936	1.2
187.13261	11.1
195.05565	1.0
208.05118	1.9
209.05499	4.5
210.06752	0.8
225.06625	1.2
237.05003	0.8
239.08260	0.8
241.04713	0.9
255.06253	1.4
256.07162	1.0
258.04919	1.0
270.08353	3.5
271.06976	2.0
271.09637	2.9
272.06665	0.9
273.07361	1.1
283.05713	0.8
284.06769	0.8
285.08609	2.7
288.09445	0.8
295.07162	1.4
299.09195	1.5
302.07346	0.9
313.08102	5.1
313.16473	3.4
314.08334	0.9
316.08957	11.6
316.57034	0.7
317.09268	0.9
331.11691	14.2
331.17438	6.5
332.11533	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50051	0.4
53.03929	1.7
55.01867	0.9
55.05503	10.7
57.03439	2.1
57.07069	3.5
59.04990	1.1
61.02905	1.0
65.03935	1.0
67.05134	1.0
67.05495	18.2
69.03422	8.0
69.07053	5.4
69.62344	4.0
71.04981	8.5
71.76012	0.4
73.32904	0.4
79.05481	7.0
81.03407	7.2
81.07044	84.0
82.07380	2.0
83.04975	0.7
83.08617	2.2
85.02890	8.1
85.06528	6.3
89.06020	2.0
91.05477	4.0
93.06440	0.5
93.07029	9.1
95.04951	5.0
95.08591	16.2
97.02871	3.7
97.06509	1.3
97.10157	8.2
98.98453	31.1
99.04434	2.6
99.08072	1.3
99.59982	0.5
100.98885	0.8
105.07008	3.9
107.08585	4.6
109.02859	3.1
109.06515	3.4
109.10132	3.1
111.04412	0.5
111.08070	1.9
113.06015	1.1
116.99489	1.5
119.08566	1.2
121.10140	2.9
123.04388	2.8
123.08064	2.0
123.11691	53.0
124.12039	1.3
127.03905	3.8
127.07547	0.7
128.06210	0.5
129.07014	0.4
131.04904	0.5
131.08569	0.9
133.02843	1.9
133.10109	4.1
135.04408	0.6
135.08014	0.5
135.11662	1.1
137.02307	0.5
137.05963	1.8
139.11150	0.7
140.04889	0.5
141.06935	0.6
141.12708	2.6
147.04420	0.9
147.11720	0.4
149.05942	0.7
151.03888	1.8
151.11169	10.7
153.01814	1.8
153.06967	1.1
154.02615	1.1
155.05957	0.7
157.10149	0.7
161.05998	1.2
163.02567	0.6
163.03906	1.8
165.06969	1.4
169.07590	1.3
169.12215	14.2
174.99210	1.2
175.03908	0.6
175.07468	0.6
176.98911	2.4
177.05469	0.7
178.02524	0.9
181.06279	1.0
182.07219	0.7
183.05550	0.6
187.13275	12.8
188.13664	0.5
195.05536	1.6
195.08092	0.7
199.64262	0.5
209.05621	1.0
211.07439	0.8
213.06769	0.5
214.06145	0.8
225.06645	1.6
225.08961	0.8
229.08485	0.6
238.06190	0.5
239.08096	1.0
242.05688	5.7
243.05980	0.5
253.08542	1.5
258.05157	5.9
267.07605	1.0
269.04465	0.9
270.05225	14.0
270.08185	0.9
271.06955	2.6
273.03857	3.0
274.04413	0.5
277.05881	0.6
277.21570	1.4
285.03757	1.5
285.08691	2.6
285.11447	0.7
286.04691	1.6
287.05432	6.6
295.07086	1.5
299.05447	1.1
301.03369	3.2
302.04169	4.8
313.03452	2.8
313.08044	5.5
313.16574	2.7
314.08530	1.0
315.04950	59.3
316.05518	10.4
316.08987	1.3
317.09662	0.5
331.08078	100.0
331.11499	6.1
331.17053	6.9
332.08420	10.2
332.12323	1.0
332.18015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1747
Annotation	8-Epiiridodial glucoside
Peak:m/z	Relative Intensity
53.03942	3.0
55.01865	1.2
55.05503	12.6
55.09675	0.6
56.05833	0.6
57.03428	2.3
57.07066	4.9
59.04989	1.7
61.02912	1.3
61.81454	0.5
65.03927	1.4
67.05496	20.4
69.03421	10.3
69.07062	6.0
70.24873	1.3
70.25291	2.0
71.04983	9.9
77.03930	1.0
79.05482	8.8
80.05824	0.6
81.03412	9.0
81.07047	100.0
82.07383	1.7
83.04980	1.1
83.08615	2.5
85.02900	8.3
85.06536	6.2
86.09704	0.9
89.03920	0.7
89.06020	1.9
91.05479	3.7
93.07033	10.5
95.04954	7.1
95.08592	19.1
96.08858	0.6
97.02879	3.6
97.06539	1.4
97.10156	8.3
98.98457	33.7
99.04456	2.3
99.08072	1.9
100.11237	0.7
100.98863	0.8
103.05451	1.1
105.03400	1.0
105.07014	4.7
107.04945	1.6
107.08599	5.9
109.02863	4.6
109.06496	2.7
109.10159	3.0
111.08060	2.9
113.06010	1.0
117.03381	1.3
117.07021	1.0
117.26095	0.5
119.08587	1.4
120.08094	2.2
121.06438	0.7
121.10109	3.0
123.04417	15.4
123.08070	1.6
123.11693	63.3
124.12057	2.1
125.09648	0.7
127.03893	3.4
131.04971	0.7
131.08549	1.2
133.02847	15.3
133.10109	5.0
135.04384	1.8
135.11708	1.2
137.05960	2.0
141.12712	2.8
144.08095	1.3
145.02853	1.7
145.10085	1.1
147.04497	0.8
147.11647	0.8
149.05963	0.8
150.09915	0.5
151.03903	9.5
151.11163	12.5
152.04631	1.3
153.06923	0.7
157.06506	0.8
163.03888	12.8
164.04207	1.0
165.06989	1.1
167.07092	1.0
169.10030	0.8
169.12215	16.2
169.13574	1.0
170.12561	0.7
173.13190	0.9
174.99242	1.4
176.98961	2.4
177.05524	0.9
181.04970	1.0
181.06548	0.9
182.07227	0.6
183.08040	0.9
187.13277	15.8
187.14868	1.0
191.03419	1.7
209.05774	0.8
210.06616	0.6
211.07535	1.1
213.05434	0.6
226.06088	0.7
227.07021	0.6
241.08621	1.2
242.05563	0.7
252.99597	0.6
256.07590	0.7
267.06674	0.7
269.08176	0.7
270.05228	1.2
271.06985	0.6
271.10092	0.8
277.21646	0.7
313.03830	0.5
313.07385	2.3
313.11697	0.5
313.16266	3.1
315.05005	2.1
316.09232	0.7
331.08124	3.6
331.11707	9.4
331.17545	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	331.2239
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
52.54538	0.9
55.05503	1.3
57.03410	1.9
57.07057	2.0
67.05483	2.8
69.07040	1.0
69.97934	5.8
70.08773	1.0
79.05507	1.3
81.07047	1.3
91.05463	2.4
95.08564	1.8
98.98454	66.4
100.98873	1.6
105.06992	2.4
116.99507	2.1
118.70980	0.9
119.08542	1.5
131.08546	2.4
140.01070	1.9
143.08501	1.4
145.10112	13.4
159.11609	1.6
171.11601	1.5
174.99208	4.0
175.03928	1.1
176.98943	4.4
194.36494	1.1
197.13220	1.7
205.15543	1.1
257.18860	2.0
266.40863	0.9
331.22391	100.0
332.22754	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	10.0
57.03409	9.0
57.07066	97.3
58.64207	2.0
67.05499	31.0
68.76900	2.0
69.07053	15.8
70.76643	6.4
71.08250	4.0
71.08620	63.2
81.07044	43.5
83.08601	21.3
85.10166	33.2
93.07021	5.5
95.08590	54.5
97.10165	11.9
98.98454	100.0
100.98838	2.0
109.10139	28.0
111.11720	4.2
116.99495	3.8
119.08530	2.9
121.16546	1.9
123.08050	2.7
123.11671	9.2
125.13239	3.5
137.13199	6.1
151.14751	2.3
174.99205	3.6
176.98904	10.2
225.30293	1.9
229.19501	2.7
239.23682	14.8
257.24692	4.9
274.59009	2.7
313.23917	3.8
313.27328	58.0
314.27542	3.2
331.08176	2.4
331.26355	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2836
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
51.34297	2.5
55.05509	11.3
57.03430	6.4
57.07063	100.0
67.05492	26.1
67.85292	2.1
69.02646	2.2
69.07059	15.0
69.59758	22.1
69.85297	2.4
70.06593	2.2
71.08618	72.9
73.88297	2.1
75.04471	4.2
79.05477	2.4
79.75169	2.3
81.07043	34.6
83.08611	24.5
85.10173	36.7
88.07635	5.2
93.07071	3.2
95.08591	49.1
97.10174	9.8
98.98450	68.6
99.11704	4.5
105.07033	2.2
107.08564	2.6
109.10146	28.6
110.27005	2.3
111.11687	2.8
112.74541	2.3
123.11703	11.2
137.13245	5.0
146.33682	2.2
174.99420	2.8
176.98943	3.1
179.61989	2.3
239.23611	19.6
257.24875	7.8
313.27332	53.8
313.32761	3.0
315.41968	2.4
331.33939	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	331.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.0
57.03418	4.2
57.07069	70.5
62.29037	1.5
67.05497	17.9
69.07053	13.3
69.59006	2.9
69.59403	13.1
71.08621	49.7
71.15742	1.4
75.04446	3.3
81.07050	28.4
83.08608	17.0
85.10169	26.5
87.44089	1.7
93.07013	3.1
95.08587	39.9
97.10149	8.8
98.98454	100.0
105.07002	2.3
107.08530	1.8
109.10132	18.6
111.11705	2.4
112.60815	1.5
116.99490	5.9
123.11707	8.7
137.13229	3.1
137.91786	1.7
174.99110	3.8
176.98950	7.3
239.23631	13.4
245.15524	1.6
257.24774	5.2
313.27328	41.2
331.22424	2.5
331.33939	8.4
332.25757	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.7
57.03413	4.5
57.07070	56.5
59.45317	1.2
59.87138	1.2
67.05495	15.2
69.07063	8.5
70.06585	10.2
70.96075	3.8
71.06896	2.3
71.08623	40.4
79.05471	2.7
81.07041	18.1
83.08612	13.7
85.06547	1.7
85.10162	20.0
88.07628	10.5
89.07930	3.5
91.05488	1.4
93.07040	1.6
95.08595	25.0
97.10181	7.3
98.98454	74.3
99.11747	2.3
102.09158	3.7
103.09507	2.7
106.08686	6.7
109.10158	12.7
111.11761	1.6
116.99473	2.4
119.08503	1.4
123.11737	7.0
137.13228	1.8
159.11641	1.2
160.17892	1.3
162.32800	1.2
165.16408	1.7
174.99225	2.1
175.54340	1.4
176.98895	4.9
221.22504	1.7
239.23630	10.1
247.09518	1.6
257.24622	2.2
313.27368	24.8
313.32813	7.3
331.07886	2.0
331.33948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
57.03404	1.7
61.02911	2.6
65.03903	1.5
67.05487	2.6
69.03108	0.5
69.03418	6.8
69.64134	1.0
69.64553	2.9
71.04955	0.6
73.02882	2.3
79.05468	1.5
81.03420	2.4
81.05761	0.6
81.07031	0.9
85.02457	0.7
85.02895	8.8
87.04455	1.4
91.03938	0.8
93.05762	0.6
96.08099	0.7
97.02894	4.0
99.04405	1.0
101.02384	0.6
104.10715	0.6
106.06551	4.6
108.08100	100.0
109.02869	1.4
109.08456	1.3
119.01913	0.9
123.06794	4.2
124.07574	17.4
127.03888	2.4
134.05998	10.5
136.07542	13.8
141.69731	0.6
145.04999	0.9
152.07043	70.8
153.07420	1.0
154.08643	1.5
161.05542	1.8
170.06076	1.8
170.08067	6.2
201.86807	0.5
219.07149	0.8
242.08218	0.8
245.05235	0.5
247.29311	0.5
291.52982	0.5
314.12280	29.7
315.12772	1.0
321.10431	1.8
332.13623	35.1
333.13950	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1335
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03936	0.9
57.03418	1.5
61.02909	2.7
65.03924	1.3
67.05482	2.3
69.03416	6.7
71.04946	0.7
71.14075	0.5
71.14388	0.4
73.02908	2.1
79.05460	1.5
81.03404	1.4
81.05755	0.3
81.07035	1.1
82.06557	0.4
85.02891	7.0
85.04703	0.3
87.04454	1.2
93.05775	0.9
94.06564	0.3
96.08105	1.3
97.02884	3.7
99.04434	0.9
106.06533	4.9
108.08096	100.0
109.02841	0.9
109.08426	1.3
120.90678	0.3
123.06786	4.4
124.07570	16.3
127.03905	1.0
134.05991	10.5
136.07556	14.2
136.08620	0.6
138.09123	0.4
145.04974	0.4
150.05508	0.5
152.07037	69.0
153.07393	1.0
154.08594	1.9
170.08084	7.9
244.02859	0.4
269.20142	0.3
314.12271	37.9
315.12555	0.7
332.13336	49.1
333.13666	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0962
Annotation	3'-Deoxydryopteric acid
Peak:m/z	Relative Intensity
53.03910	1.2
53.15118	0.7
53.50533	0.6
55.01840	0.9
55.05488	2.5
55.44634	0.6
63.45954	0.7
65.03922	1.5
67.01833	2.4
67.05495	4.6
69.03420	1.6
69.07069	3.4
70.60278	2.4
71.04970	2.0
72.89193	0.7
79.05479	3.5
81.07036	4.9
82.66163	0.6
83.04948	1.8
83.08585	0.9
85.06527	1.7
91.05449	3.1
93.07039	4.6
94.04165	1.8
95.04941	2.0
95.08595	4.5
96.58930	0.7
97.06517	1.7
98.98452	5.6
99.04443	0.8
105.03351	2.0
105.06989	2.7
107.04916	1.8
107.08559	3.3
109.02855	1.3
109.06506	2.1
109.10126	1.8
111.04434	4.5
117.07020	1.0
119.08524	1.3
121.02892	1.0
121.06465	1.1
121.10116	1.8
122.03635	4.6
123.04435	1.5
123.11643	0.9
125.05988	8.8
129.10245	0.9
131.08537	1.1
133.02831	8.2
133.10094	1.0
135.04391	14.6
135.11664	1.4
137.05951	61.3
138.06299	2.0
141.05417	2.5
147.03050	0.7
147.04366	1.3
149.05957	4.7
150.03186	0.9
151.03825	2.2
153.05450	5.9
157.10092	1.0
159.07964	0.9
161.02338	2.7
161.05939	1.9
163.03880	52.1
164.04269	1.2
164.07010	5.0
165.05434	4.7
166.02574	0.8
167.03375	100.0
167.07043	1.9
168.03761	2.6
171.07977	2.0
171.11659	0.9
181.04950	10.5
183.02872	1.5
184.05130	1.5
185.04324	1.6
193.04916	6.2
197.05901	1.2
198.06699	3.6
199.07516	4.9
201.05476	1.6
209.04401	24.4
209.06352	1.4
210.06541	0.6
212.04726	2.3
213.05457	1.9
213.09070	1.0
216.07683	1.2
217.04947	1.9
218.47368	0.8
226.06224	2.4
227.06984	16.1
228.07491	0.9
229.04877	3.2
241.04956	1.6
241.08597	1.1
243.06496	5.2
244.07259	2.0
255.06458	9.9
256.07150	2.4
257.04251	1.2
259.09628	45.9
260.09952	1.5
261.73291	0.8
271.05984	2.1
272.06656	2.5
283.05789	1.1
286.08279	2.2
287.09091	54.1
288.09641	4.0
300.06326	1.8
301.07111	0.8
301.10446	0.9
315.08578	13.9
316.08945	1.2
332.87854	0.7
333.09561	7.3
333.20633	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1902
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
51.61868	1.5
53.03056	1.6
53.03920	5.3
54.60842	1.9
55.01862	5.2
55.05497	5.3
57.03436	10.0
57.07073	21.7
59.04998	15.3
61.02921	12.4
62.87235	1.8
67.05505	15.2
69.03424	39.7
69.07056	14.5
70.86033	6.3
71.04984	12.6
73.02901	6.4
73.72237	1.4
79.05462	3.4
81.03400	14.3
81.07050	11.9
83.08590	6.0
85.02892	100.0
85.06521	18.6
86.09686	1.8
87.04466	5.3
91.03942	6.1
91.05444	2.9
93.07023	7.0
95.04960	7.6
95.08587	75.6
97.02888	27.2
97.06507	9.0
98.98449	9.5
99.04428	6.4
99.08076	20.4
107.08582	15.2
109.02877	11.4
109.06515	11.7
109.10135	24.9
111.08076	12.2
111.11708	3.5
113.09630	78.8
119.08595	2.2
123.11638	1.7
127.03897	25.5
127.11177	53.5
135.11658	21.6
137.09680	2.1
137.13232	4.2
145.04932	21.8
153.12726	98.3
155.14294	9.5
163.06047	2.7
164.07050	5.6
171.13773	57.4
174.13162	2.1
177.12733	2.1
213.14897	4.3
227.11766	2.4
255.11816	2.2
270.10123	4.1
301.11795	14.1
315.09955	2.4
315.13272	1.9
333.14221	7.6
333.18967	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	333.2418
Annotation	Dendrinolide
Peak:m/z	Relative Intensity
51.02359	1.1
51.67447	0.5
53.00291	0.5
53.03918	2.3
55.01865	4.3
55.05502	14.3
56.96545	0.6
57.03426	26.5
57.07077	3.0
57.07306	0.6
57.32995	0.4
59.04964	0.6
65.03942	2.8
67.05492	42.7
69.03423	0.9
69.07054	13.9
71.04980	2.9
71.08604	1.0
71.69992	0.6
73.02882	2.0
77.03887	1.0
79.05478	52.4
81.03412	4.1
81.07040	54.2
82.07372	0.9
83.04961	2.0
83.08593	6.7
85.06504	2.0
88.07605	1.4
91.05462	51.3
93.07026	64.4
94.07333	1.3
95.04954	6.1
95.08587	38.5
97.06510	3.7
97.10147	2.7
98.98008	0.4
98.98469	4.4
99.04409	1.0
99.08050	1.5
101.06009	0.6
103.03919	3.7
103.05478	0.6
105.07009	59.9
106.07332	1.3
107.04918	1.1
107.08570	36.8
108.08826	0.6
109.06483	2.2
109.10137	12.3
111.08029	1.5
113.09560	0.6
115.05444	0.7
117.06997	13.2
119.08559	46.4
120.08869	0.9
121.06467	1.6
121.10122	28.4
122.10456	0.6
123.08038	1.4
123.11676	3.5
125.09583	1.2
125.31955	0.5
128.06168	1.6
129.05460	11.5
129.06947	7.7
130.07762	1.3
131.08540	23.6
132.08972	0.5
132.10146	0.7
133.10103	35.2
134.10442	0.9
135.08012	2.2
135.11667	26.5
137.09566	1.4
137.13231	1.0
141.06923	0.6
142.07709	1.3
143.07323	0.9
143.08527	7.9
144.09145	0.7
145.10091	22.6
146.10583	0.5
147.07996	1.3
147.11661	25.6
148.12019	0.8
149.09583	2.2
149.13234	16.5
150.13539	0.6
151.11090	0.7
153.08983	0.5
155.06996	5.5
156.09172	0.6
157.10101	8.8
159.11656	19.4
160.11987	0.8
161.09641	0.7
161.13229	22.5
162.13544	0.7
163.11130	2.1
163.14780	6.8
169.08652	1.0
169.10056	1.2
170.10890	0.6
171.10173	1.0
171.11644	13.4
173.13231	14.5
175.11131	1.5
175.14792	11.2
177.12706	2.3
177.16327	1.0
183.10136	0.7
183.11670	0.6
184.01393	0.5
185.11560	0.6
185.13216	11.7
186.13675	0.5
187.14774	3.8
189.12697	1.8
189.16389	1.2
191.14218	0.8
191.17815	0.5
195.13689	0.6
197.13243	0.7
199.14793	7.3
201.16365	1.0
202.13446	0.6
203.14299	1.1
213.16330	2.9
215.14438	0.5
215.17891	8.0
217.15987	0.9
217.19495	7.0
218.99013	0.5
221.13324	0.6
221.15384	0.6
231.17352	0.7
231.21045	2.5
233.15422	0.7
235.16917	0.8
239.17781	0.6
241.19464	45.6
242.19759	2.5
242.24713	1.5
243.21051	5.1
259.20523	22.5
260.20874	1.0
275.19998	2.5
277.21451	3.9
289.21609	1.5
297.22220	1.0
315.23129	5.2
333.24167	100.0
334.24786	4.4
334.29416	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0734
Annotation	sn-Glycero-3-phospho-1-inositol
Peak:m/z	Relative Intensity
65.81944	5.2
70.07487	23.8
113.86049	5.5
116.83322	5.6
161.02971	10.3
293.10760	7.4
308.27155	5.9
335.07321	100.0
335.11075	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	335.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91461	6.3
62.34774	5.8
70.08159	35.5
71.77518	6.3
119.01924	9.7
123.05547	18.6
131.01852	9.4
139.89677	6.6
143.01863	9.9
145.03502	7.0
157.55746	5.7
183.78517	6.6
184.17703	5.9
245.04967	8.4
255.43723	5.8
273.31955	6.8
303.05444	7.9
311.05859	6.7
335.07217	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
55.05497	2.0
56.96557	27.9
57.03419	1.8
58.06555	0.9
58.99832	1.2
60.04514	1.0
61.02918	1.0
65.03920	1.1
67.05499	2.9
69.03424	7.1
70.06580	4.0
70.50333	3.5
70.98101	5.3
71.04978	1.3
72.08155	0.9
73.02905	1.8
73.06537	1.4
74.97582	1.6
77.00922	1.1
79.05479	3.6
81.03403	4.0
81.07056	2.4
82.99830	2.1
83.04955	2.1
84.04498	1.5
84.08125	2.3
84.96014	2.5
85.02904	8.7
86.03242	0.9
86.09678	1.1
87.04467	0.9
88.99155	3.2
91.05466	3.9
93.07020	1.5
95.04976	3.1
95.08578	1.2
97.02872	7.6
97.06489	1.9
98.97567	21.1
99.04442	1.8
100.99115	2.0
101.00861	13.8
103.02431	1.6
107.00166	1.1
107.04949	2.0
108.08102	2.8
109.08417	1.8
110.97570	2.5
111.04472	1.7
112.07610	1.2
113.00826	4.5
114.09151	3.5
115.02421	3.9
116.98589	12.4
119.01902	46.8
119.04936	1.3
120.08113	2.1
121.01611	1.3
121.03525	0.9
123.04410	2.8
123.05531	6.0
124.02552	1.0
127.03925	2.3
128.98552	6.5
129.03969	2.2
130.08653	2.2
131.00215	1.5
131.01894	25.0
131.05595	7.3
132.10130	1.6
133.01691	2.1
133.03439	7.1
134.99631	4.1
137.00760	1.1
137.02921	6.8
137.05991	2.0
139.03911	1.0
142.03485	1.6
142.08572	1.1
143.01877	65.6
144.01955	1.0
144.98062	5.2
145.01704	3.4
145.03435	9.2
146.99622	9.6
147.01382	2.1
147.04990	3.3
149.02986	5.0
149.06624	11.7
151.04482	1.5
152.07053	1.7
153.07390	1.2
155.01862	23.9
155.05608	2.1
155.54791	1.9
156.02635	3.1
156.10187	1.5
157.03452	2.9
158.99632	6.0
159.05016	3.9
161.02933	98.6
162.03127	2.6
162.99138	7.5
163.02777	3.0
163.04469	1.7
164.05196	1.4
165.00648	6.9
167.05554	1.6
170.99648	1.1
171.05038	3.0
172.97569	1.6
173.02945	23.9
173.04936	1.9
173.06564	31.4
173.08080	1.6
173.12845	2.6
174.06787	1.6
175.04510	2.4
177.00670	7.9
177.06049	3.9
179.02182	1.1
179.05693	1.2
181.00215	2.6
183.01746	1.0
184.04526	6.0
185.03017	1.7
185.04872	1.9
185.06567	33.6
187.02815	1.7
187.08122	7.9
189.00719	1.2
189.06128	1.2
190.98631	5.9
191.02238	1.2
191.05872	3.8
191.07651	9.4
196.04613	2.1
196.08165	1.2
197.06590	2.7
199.06367	1.0
199.08197	2.2
201.00723	1.1
201.06061	2.2
203.03944	7.5
203.07619	18.8
205.00166	10.8
205.09248	1.2
208.08131	1.0
208.99716	1.8
209.06834	2.0
215.05795	2.2
215.07654	14.4
217.09230	1.1
218.98033	0.9
219.01709	6.2
219.07179	1.6
221.05008	24.8
221.68704	1.0
222.05174	1.4
223.01221	16.2
223.04710	1.0
227.07616	3.5
232.99728	3.7
233.08728	4.8
237.02759	10.6
241.02341	1.7
244.58023	2.1
245.05057	1.8
245.08839	1.7
247.01239	4.0
251.00671	2.1
257.08716	5.2
265.02164	1.7
275.00726	1.5
275.09744	43.6
276.10159	1.6
293.10770	100.0
294.10953	2.2
298.11420	1.1
307.07126	2.8
309.08578	2.4
316.12390	4.6
317.13028	1.7
321.08527	1.2
335.02924	1.7
335.11884	30.7
339.09439	1.5
346.67883	1.0
353.11130	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
65.03934	3.9
67.05499	3.7
68.26380	0.7
69.07060	100.0
69.65197	6.5
79.05472	1.4
80.05000	1.1
81.07040	6.4
91.05445	1.5
92.04987	3.8
93.07030	2.1
94.06567	4.1
95.04956	1.6
95.08595	1.3
96.08128	0.8
97.06522	18.2
105.06998	1.1
109.06510	1.2
117.07069	1.0
119.03676	1.2
119.08589	1.1
120.04464	1.6
121.05219	0.9
121.06489	0.9
122.06016	9.9
124.07577	2.4
125.05981	1.6
131.07324	0.9
137.05988	2.7
138.05467	6.2
139.05815	0.8
140.07045	6.4
144.08055	2.8
145.08844	2.3
145.10091	1.1
146.09648	3.8
147.04369	1.0
150.05482	80.1
151.05891	1.7
152.03439	0.9
152.06944	0.9
157.08849	2.6
158.09615	0.9
159.10307	1.4
160.07600	1.8
161.08354	3.8
162.09169	2.4
164.03355	0.8
165.04172	1.2
166.04987	32.8
166.06389	1.7
168.06549	1.4
172.07579	3.1
172.11203	3.5
173.08351	1.9
174.09161	1.8
174.12784	7.0
176.03410	7.4
178.04987	2.5
182.04410	1.3
185.08385	1.5
186.07590	1.8
188.07040	0.8
188.10583	1.0
190.08690	1.0
190.12218	4.6
192.02913	2.1
194.04454	4.1
198.07726	1.8
200.06960	1.0
200.10689	8.8
202.12265	7.0
204.10225	1.2
206.11655	0.9
213.10229	1.4
216.10191	3.7
218.08276	2.0
218.11725	30.5
226.08640	1.3
228.10181	17.5
229.13425	1.6
230.11641	0.9
234.11188	3.7
243.11288	1.3
244.09677	2.3
245.12828	2.0
246.11241	27.5
255.11150	1.4
256.09683	2.3
257.09152	1.6
261.08542	1.2
261.12372	0.7
271.10757	4.3
272.09134	3.9
273.12335	4.4
274.10733	2.4
284.73337	0.8
287.10257	9.0
289.11737	9.2
290.10150	2.4
299.10242	5.9
317.11279	27.6
318.09811	0.9
335.12369	21.0
335.16351	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93492	0.8
53.03947	1.2
55.01867	0.9
55.05502	3.6
57.03429	0.9
67.05495	10.5
69.03429	1.6
69.07070	4.7
70.32253	1.0
71.04977	2.0
71.22078	1.0
71.70901	1.4
78.55186	0.9
79.05486	3.8
81.03403	3.1
81.07036	8.3
83.04987	1.9
83.08616	1.8
85.02890	1.1
85.06551	1.5
91.05448	5.6
93.07040	6.1
94.06560	5.7
95.04957	2.8
95.08591	13.4
97.06503	2.2
99.08057	1.4
105.07016	3.7
106.72266	1.0
107.08573	4.7
109.02865	3.5
109.06493	1.1
109.10148	3.7
113.09612	4.6
119.08567	3.4
120.08088	11.3
121.06516	1.4
121.10133	3.0
122.06010	14.9
123.07986	1.2
123.11687	2.3
131.08572	2.2
133.10159	2.2
135.11644	3.0
136.07550	58.6
137.07846	1.1
140.07040	1.4
143.08521	0.9
145.10117	4.0
147.04404	1.1
147.11678	1.9
149.13232	1.7
151.11212	1.7
163.14795	1.4
164.07039	100.0
165.07408	3.0
166.08679	2.0
171.11639	0.9
182.08102	68.6
183.08458	1.3
185.13109	1.1
271.10806	4.0
317.14938	2.4
335.12308	2.1
335.19873	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	335.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	31.7
56.96557	32.5
60.22042	23.8
67.05484	56.6
69.03413	88.7
70.06573	43.0
70.18040	41.0
70.18443	69.7
79.05481	37.6
81.03403	57.6
81.07035	45.8
84.04500	27.4
84.08160	28.4
85.02892	100.0
91.05468	53.9
92.63187	27.2
92.81245	27.0
93.07059	84.3
95.04939	24.2
95.08597	71.6
97.02856	59.5
98.97569	61.4
98.98434	49.1
105.07018	26.9
107.08572	51.4
108.57824	23.3
109.02835	36.5
109.10160	55.0
116.98560	35.6
119.08574	71.4
121.06487	85.9
123.05559	52.5
131.04915	39.8
133.10246	30.2
135.52084	26.5
137.05927	43.9
137.09613	91.2
138.05399	26.0
149.05995	83.9
149.94418	25.4
155.10719	35.6
158.99692	25.2
174.11296	68.1
177.00670	47.2
196.05484	33.6
256.06564	23.6
317.11298	53.1
335.12811	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	335.2575
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03908	1.8
55.05503	13.7
56.05548	1.8
57.03433	18.3
57.07044	1.8
65.03916	2.0
67.05496	68.2
69.07055	18.9
69.12455	1.8
70.84162	6.1
71.04981	3.1
72.19493	1.7
78.21847	1.9
78.44743	2.1
79.05486	31.8
81.07046	66.3
83.08600	6.3
85.06528	1.8
90.41516	1.9
91.05463	14.2
93.07025	39.5
95.04958	3.5
95.08010	3.2
95.08595	60.2
97.06494	3.2
97.09184	1.8
97.10150	2.6
97.65754	1.7
105.07010	13.6
107.08577	21.6
109.10132	27.9
117.06989	5.0
119.08581	11.6
121.10147	22.2
123.11701	10.3
130.69150	1.7
131.08569	8.4
133.10112	6.5
135.11685	16.0
137.13214	5.0
145.10100	8.3
147.11650	6.7
149.13239	9.2
159.11652	6.6
161.13187	6.3
163.14806	6.5
173.13223	6.8
175.14783	1.9
177.16418	2.4
187.14735	3.5
243.20990	7.3
261.22086	14.3
335.25760	100.0
336.26089	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	335.2574
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.67954	2.2
53.03926	2.8
53.50708	1.8
55.05501	20.0
56.64670	1.9
57.03424	24.9
60.89949	1.9
65.03911	4.5
67.05492	100.0
67.34595	2.0
68.27766	2.1
69.07056	21.4
71.04991	1.9
71.52419	1.7
71.71555	3.3
71.71950	2.7
79.05479	43.8
81.07043	86.2
83.08617	9.1
85.06522	2.1
91.05461	26.9
93.07033	50.6
95.04958	3.8
95.08589	70.8
97.06484	2.9
97.10114	2.6
102.55001	1.8
105.07010	16.6
107.08566	24.7
109.06503	2.0
109.10146	23.5
117.07001	4.8
119.08542	14.2
121.10118	19.7
123.08004	2.0
123.11669	8.8
131.08549	7.3
133.10066	9.5
135.11667	13.8
137.13284	2.5
145.10123	4.8
147.11668	7.3
149.13205	4.6
159.11642	5.6
161.13200	4.2
173.13214	5.2
243.21056	3.4
261.22165	7.7
335.25748	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	335.2573
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.84480	1.2
52.32161	1.3
53.03930	3.7
55.05241	1.3
55.05503	23.0
57.03426	24.8
57.07041	1.7
62.23896	1.5
65.03923	4.7
66.72491	1.4
67.05495	100.0
69.06739	1.9
69.07058	23.4
69.42305	15.6
71.04982	1.9
79.05482	46.2
81.07045	87.0
83.04970	2.4
83.08611	9.1
85.06548	1.8
91.05469	23.6
93.07034	57.1
95.04946	5.2
95.08592	70.4
96.18787	1.4
97.06532	2.7
97.10132	2.7
105.07007	16.1
107.08575	24.7
109.06522	2.2
109.10141	25.5
117.06985	6.2
119.08542	10.2
121.10123	19.9
123.11700	9.6
131.08521	7.5
133.10110	11.8
135.11665	13.4
137.13219	2.6
145.10106	5.8
147.11644	5.2
149.13249	5.7
159.11676	5.1
161.13252	6.6
163.14844	2.4
173.13268	4.9
177.25800	1.4
187.14803	2.1
201.16411	1.6
243.21046	3.1
261.22095	7.4
335.25754	88.0
336.25989	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2575
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02353	1.2
53.03933	3.4
55.01855	1.7
55.05504	22.7
57.03163	1.5
57.03434	27.9
57.07057	3.0
63.12153	1.3
65.03915	4.1
65.11533	1.2
65.28399	1.3
67.05496	100.0
69.07061	21.6
69.65788	9.3
71.04977	3.0
72.55111	1.1
79.05481	53.0
81.07046	89.8
83.04952	2.5
83.08608	10.5
85.06510	2.8
91.04923	1.8
91.05467	26.6
93.07031	56.1
95.04957	5.9
95.08595	77.0
97.06522	4.0
97.10144	4.6
98.21542	1.6
105.07012	17.9
107.08582	31.2
109.06518	2.5
109.10141	32.7
111.08079	2.7
117.06989	6.7
119.08582	13.8
121.10128	27.8
123.08080	1.4
123.11670	10.2
131.08540	11.1
133.10095	11.5
135.11681	17.2
137.09612	1.4
137.13260	3.6
145.10112	9.8
147.11652	5.2
149.13245	9.3
159.11676	5.4
161.13264	5.9
163.14815	4.0
173.13268	6.0
175.14783	3.3
177.09259	1.3
177.16385	1.8
187.14793	2.8
225.02179	1.4
243.21042	5.9
261.22104	7.4
317.24725	3.9
335.25769	100.0
336.26028	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2574
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03919	4.1
53.26706	1.2
55.01865	1.4
55.05501	24.5
57.03164	1.7
57.03428	26.0
57.07054	4.0
65.03918	3.6
67.05492	98.4
69.07056	22.9
69.78066	8.2
71.04965	2.7
78.09499	1.0
79.05019	2.2
79.05479	47.9
81.07042	93.5
82.74577	1.1
83.04956	2.4
83.08607	8.2
85.06525	1.8
91.05460	24.7
93.07026	49.5
95.04944	4.7
95.08591	69.7
97.06491	3.5
97.10165	3.5
98.21396	1.2
99.08082	1.3
105.07008	16.4
107.07906	1.9
107.08577	23.3
109.06483	2.0
109.10139	26.9
111.08078	1.8
117.06990	5.3
119.08560	12.0
121.10127	19.3
123.11679	8.8
131.08531	6.8
133.10106	9.4
135.11679	14.0
145.10092	6.6
147.11630	6.4
149.13261	8.5
159.11650	4.7
161.13261	4.5
163.14778	1.7
173.13222	3.7
175.14838	1.4
177.16434	1.4
187.14836	2.2
229.04576	1.3
243.21054	1.7
261.22211	5.3
281.40063	1.3
308.66354	1.2
317.24536	1.1
335.25745	100.0
336.26013	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03934	4.0
53.16581	1.7
55.01850	3.2
55.05506	17.7
57.03434	28.1
57.07061	5.9
65.03920	3.8
67.05499	89.7
69.06743	1.5
69.07067	18.0
69.56761	11.2
71.08621	1.6
77.03882	1.3
78.25473	1.2
79.05485	53.7
81.07049	100.0
82.07346	1.6
83.04964	2.5
83.08607	10.6
85.06554	2.7
86.24995	1.2
89.38008	1.0
91.05473	26.6
92.05763	1.1
93.07036	66.1
95.04963	6.6
95.08597	82.7
96.08923	1.2
97.06531	3.9
97.10173	5.7
99.08109	1.8
105.07021	22.4
107.04944	1.2
107.08583	37.0
109.06519	2.8
109.10146	28.7
111.08068	2.6
111.11808	1.3
113.09607	1.5
117.07020	8.8
119.08564	16.5
121.10135	32.6
123.11710	12.0
123.82644	1.3
129.05469	4.4
131.08563	17.7
133.10115	14.0
135.11670	16.3
137.09589	1.5
137.13213	6.5
144.09341	1.2
145.10126	13.1
147.11664	9.0
149.09616	1.9
149.13235	12.3
151.14812	1.4
155.07034	1.6
159.11667	10.2
161.13255	7.0
163.11201	2.5
163.14798	10.5
173.13248	10.9
175.14766	3.7
177.12701	2.0
177.16417	2.9
185.13116	1.2
187.14847	4.8
201.16470	1.7
217.19507	2.4
219.21031	2.0
233.22617	2.8
243.21071	20.6
245.22659	2.7
261.22119	16.5
279.23288	2.4
317.24768	7.9
318.24799	1.3
335.25769	93.0
336.26102	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2575
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02373	0.8
52.07999	0.6
53.03931	2.6
54.52125	0.5
55.01869	3.6
55.05502	21.9
57.03427	22.0
57.07072	7.0
60.19287	0.8
63.60423	0.6
65.03938	3.5
67.05495	93.3
69.07063	21.3
71.04981	2.7
71.08617	2.6
77.03947	0.7
79.05482	65.3
80.73347	0.6
81.03414	2.0
81.07043	100.0
82.07372	1.1
83.04977	2.7
83.08608	12.0
85.06521	4.1
85.10164	1.1
89.13719	0.6
91.05466	42.8
93.07031	79.5
94.07372	1.2
95.04955	7.6
95.08593	79.9
96.08900	0.7
97.06519	4.3
97.10148	4.8
99.08088	1.9
103.03951	0.9
103.05434	0.7
105.04514	1.7
105.07012	33.2
107.08577	47.3
109.06487	3.4
109.10140	30.9
111.08056	2.1
111.11732	0.6
113.00015	0.8
113.09573	1.1
115.05437	0.8
116.97266	0.9
117.07003	13.2
119.08565	25.8
121.06485	1.1
121.10129	35.9
123.08053	2.1
123.11691	11.4
125.09646	1.5
129.05453	5.2
129.07016	2.2
130.07779	0.7
131.08545	23.2
133.10112	22.4
133.11134	0.9
135.08023	1.2
135.11673	24.2
137.09613	1.6
137.13246	4.3
143.08543	1.8
145.10104	18.4
147.11674	15.3
149.09639	1.5
149.13231	13.9
151.14809	2.6
155.07089	1.6
155.08392	0.7
157.10083	1.6
159.11693	12.5
161.13246	11.7
163.11183	2.5
163.14789	8.7
165.12759	1.0
169.02541	1.6
171.11679	2.1
173.13242	11.2
175.14795	5.2
177.12831	1.1
177.16356	4.7
179.14145	1.1
183.11650	0.9
185.13197	1.1
187.14807	6.4
189.16365	2.4
191.14291	2.2
197.13275	1.5
201.16338	2.4
205.15926	0.9
211.91055	0.7
213.16296	0.9
215.17877	1.5
217.15895	0.9
217.19495	3.0
219.20988	1.4
233.15193	0.8
233.22615	2.2
235.16907	0.8
243.21054	22.6
245.22612	1.7
261.19162	0.8
261.22098	19.6
275.20023	1.1
275.23660	0.7
276.44818	0.7
277.21631	1.7
279.23071	1.5
291.23123	1.4
299.23569	1.4
317.24698	17.0
318.25180	0.8
335.25775	85.0
336.25998	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2573
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02390	1.2
53.03931	5.0
53.32327	1.3
53.86304	1.1
55.05502	23.9
57.03153	2.0
57.03428	30.1
57.07063	3.6
65.03925	5.8
67.05492	97.5
69.07053	23.4
69.36726	8.0
69.37154	6.8
71.04974	6.0
77.53265	1.3
79.05479	62.8
81.07042	100.0
83.04958	1.7
83.08603	10.3
85.06546	2.8
91.05463	37.0
93.00543	1.4
93.06425	2.3
93.07026	60.7
95.04952	8.4
95.08588	79.7
97.06525	4.4
97.10163	3.3
99.08082	2.7
103.05467	1.4
105.07010	26.6
107.08572	35.4
109.06496	3.7
109.10134	31.1
111.08077	1.4
115.05511	1.1
116.06226	2.1
117.07010	7.4
119.08568	27.8
121.10128	27.8
121.10964	1.8
123.08070	3.5
123.11662	11.9
128.06192	1.6
129.06992	4.9
130.07866	1.3
131.08551	21.1
133.10101	25.9
135.08051	3.8
135.11674	16.2
136.29669	1.6
137.09616	2.4
137.13269	2.1
141.06923	1.6
142.07773	3.5
143.08549	6.5
145.10110	16.0
147.11642	12.1
147.12534	1.1
149.09598	2.7
149.13254	9.7
151.11154	1.4
155.08519	2.8
156.09404	3.2
157.10109	7.4
158.10915	2.6
159.11649	10.9
161.13170	7.1
163.11275	1.4
163.14845	5.9
169.10095	3.6
170.10976	1.5
171.11696	5.7
173.13237	15.9
175.14850	5.6
179.08536	1.9
181.10190	1.7
182.10927	1.7
183.11703	1.8
185.13269	3.0
187.14742	6.7
195.11685	2.4
196.12366	1.9
197.13257	5.1
199.14833	3.7
207.11592	1.7
207.60324	1.6
209.13319	2.9
211.14876	2.0
221.13280	1.8
223.14842	2.0
233.81415	1.4
235.14781	1.8
237.16371	1.6
242.33517	1.2
243.21014	6.7
247.14590	1.9
261.22141	10.4
292.22058	1.2
317.24927	3.1
335.25854	96.2
336.26190	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	335.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.0
53.03920	3.7
55.01855	1.3
55.05505	22.1
57.03428	22.0
57.07058	2.8
64.99222	1.0
65.03918	2.6
67.05493	78.5
69.06693	1.2
69.07056	20.2
70.88065	3.6
71.04999	1.1
74.58031	1.0
79.05479	41.9
81.07043	76.2
82.07359	1.2
83.04941	2.1
83.08604	8.8
85.06533	1.8
91.05460	23.5
93.07029	51.7
95.04959	3.1
95.08589	67.2
96.08926	1.3
97.06496	4.0
97.10126	2.4
103.63303	1.0
105.07015	17.7
107.08573	26.3
109.06531	1.7
109.10140	29.2
110.10591	1.0
111.08073	1.8
115.12906	1.1
117.06992	5.6
119.08565	14.7
121.10135	19.9
123.08052	2.5
123.11706	10.0
129.05453	2.1
131.08549	9.3
133.10121	11.2
135.11664	17.3
136.91689	1.0
137.09558	1.3
137.13210	3.5
145.10097	9.1
147.11659	7.7
149.13222	11.8
159.11687	6.0
161.13231	8.1
163.14789	3.7
165.12708	1.1
171.11646	1.4
173.13205	6.0
175.14803	3.8
177.16318	1.6
187.14758	3.7
189.16292	1.3
201.22025	1.0
205.15970	1.4
221.73128	1.2
243.21074	9.0
261.22043	12.5
279.23050	1.2
290.22849	1.2
290.56046	1.0
317.24646	4.1
335.25742	100.0
336.26022	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	335.2573
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.98137	1.0
52.04853	1.0
53.03922	3.8
55.01860	1.3
55.05503	18.8
57.03166	1.0
57.03428	19.9
57.07050	3.4
65.03922	2.6
66.35019	1.0
67.05494	76.1
69.07059	18.9
71.04982	1.7
71.19578	1.7
79.05479	49.4
80.05786	1.5
81.07043	82.5
83.04961	1.6
83.08617	10.9
85.06487	1.2
89.16646	0.9
89.23190	1.0
91.05465	18.8
91.08067	1.0
93.07029	50.2
95.04948	4.0
95.08588	64.8
96.08919	1.4
97.06499	3.0
97.10139	2.4
99.08107	1.1
105.07008	13.7
106.51942	1.0
107.08572	28.6
109.06476	2.8
109.10138	25.1
111.08057	1.8
111.11696	1.1
117.07024	4.6
119.08549	12.3
121.10127	19.7
123.08042	1.4
123.11693	9.8
125.09651	1.3
126.20059	1.0
129.05391	1.1
131.08542	9.0
133.10091	10.5
135.11679	14.3
137.09569	1.1
137.13240	2.8
144.23167	0.9
145.10094	8.1
147.11731	5.9
147.12688	1.2
149.09663	1.3
149.13237	7.0
159.11696	6.0
161.13211	6.0
163.11157	1.4
163.14798	3.9
164.96373	0.9
173.11955	1.0
173.13243	5.8
175.14761	2.7
187.14774	3.6
191.14313	1.3
201.16428	1.8
243.21033	5.3
261.22046	10.4
317.24817	3.3
335.25751	100.0
336.26086	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.6
55.01862	7.9
55.05502	26.4
57.03423	6.5
57.07059	7.3
59.04998	3.1
65.03935	3.5
67.05496	85.1
69.03416	9.9
69.07062	53.9
70.96777	7.3
71.04983	78.7
77.03955	2.3
79.05483	42.0
79.05922	3.4
81.03401	9.1
81.07047	100.0
83.04962	10.6
83.08602	17.7
84.08147	2.9
85.02889	5.6
85.06543	26.6
91.05469	25.7
93.07032	65.5
95.04952	6.6
95.08594	79.3
97.02865	3.3
97.06516	25.0
97.10163	8.5
99.04448	3.7
99.08058	4.5
105.07013	29.2
107.04975	2.9
107.08584	39.6
108.08871	2.7
109.02879	7.8
109.06503	5.8
109.10148	39.8
111.04456	3.1
111.08056	14.3
111.11713	5.7
113.09644	2.7
115.05435	2.9
117.06990	5.6
119.08578	21.3
121.06502	4.3
121.10132	57.1
123.04396	2.3
123.08047	4.7
123.11696	17.5
125.09585	5.6
127.03860	3.2
129.06958	3.6
131.08574	11.3
133.10100	21.5
135.11674	51.4
135.12659	4.6
136.07581	2.9
137.05954	5.0
137.09677	2.9
137.13232	6.5
139.11180	8.6
142.07753	3.2
143.08582	6.1
145.10054	11.9
146.05991	4.3
147.11670	8.1
149.05934	3.5
149.09576	5.6
149.13248	19.3
151.11136	2.8
152.07103	2.9
153.12726	7.0
155.08571	2.5
157.10110	2.9
159.11630	6.3
161.05920	3.0
161.09616	3.2
161.13274	8.3
163.11201	4.0
163.14838	14.9
165.12756	3.7
169.10045	3.1
171.08086	2.8
171.11714	2.7
173.13251	2.9
175.14894	6.9
177.05435	2.3
177.16464	3.6
187.14868	5.5
189.12686	2.6
191.10672	3.2
203.18094	3.2
215.14290	4.5
245.22649	7.5
247.07695	2.9
259.14462	3.3
263.23685	39.3
281.24710	48.3
292.19119	3.9
299.16214	2.7
299.25748	20.9
300.08670	3.1
317.17578	4.6
335.12231	2.8
335.18408	14.6
336.21777	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	337.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36582	0.7
54.40003	0.9
54.68024	0.8
56.96556	57.4
61.02902	0.9
69.03403	1.7
70.44533	3.6
70.98112	15.3
71.04991	0.9
71.95231	3.4
74.97596	2.4
79.05479	1.0
81.03389	2.0
83.04952	0.9
84.96022	10.4
85.02880	3.1
88.98646	0.9
88.99148	8.9
95.04914	1.1
97.02837	2.4
98.06032	1.1
98.97565	97.6
100.99133	0.8
102.97047	1.5
107.00160	2.3
110.96780	1.6
110.97551	26.7
112.99112	14.7
115.00664	2.9
116.98604	48.4
118.28394	1.1
119.01862	1.0
124.95445	6.1
124.99074	1.1
126.96964	1.0
127.00655	1.0
128.98584	36.1
131.00148	17.6
131.01793	0.8
133.01700	7.6
134.99644	15.3
140.00166	1.7
140.98534	3.3
142.96472	6.3
143.00131	6.4
144.98070	4.5
145.01672	2.3
145.03427	1.0
146.99628	27.9
149.01205	8.9
151.02710	5.0
152.94920	1.1
152.98573	4.6
156.98099	1.7
157.01634	1.8
157.34218	0.8
158.99632	18.0
160.97520	2.6
161.01189	6.2
161.02760	1.4
161.04539	0.8
162.99109	3.2
163.02731	1.0
165.00699	15.1
167.02194	1.4
170.01173	0.9
170.95950	6.2
170.99625	10.6
171.05038	1.3
173.01201	1.2
174.99121	3.7
175.02771	7.9
177.00691	19.1
179.02208	2.7
183.01770	1.2
184.97519	4.9
187.02701	1.7
188.97060	21.4
189.00673	20.4
190.98663	1.4
191.02196	2.4
193.00182	5.7
193.03799	5.8
195.01682	1.9
198.99055	1.0
201.00558	4.3
201.04111	1.0
202.98581	9.8
205.00139	6.4
205.03674	1.4
206.98140	11.0
207.01726	14.3
211.04794	1.4
212.97054	3.5
214.98486	1.1
217.00204	5.0
217.03831	4.0
219.01736	34.6
220.99681	7.2
221.04996	1.2
223.01251	4.7
224.99164	1.6
225.02785	1.1
229.03772	1.4
230.98065	21.5
232.99669	1.7
235.01216	4.9
235.04857	3.2
237.02791	57.2
238.03140	1.1
239.00642	1.9
242.03372	1.4
244.99658	9.6
247.01207	1.2
248.99127	8.9
249.02750	2.1
253.02223	0.9
253.99696	1.2
255.03786	3.2
260.04352	1.3
263.00717	37.9
267.03809	2.3
275.04333	2.0
277.02301	11.5
277.05884	33.9
281.01752	5.4
284.11917	0.9
286.02240	1.7
293.05426	1.7
295.06961	100.0
296.07303	2.3
305.01611	1.7
318.08572	3.4
337.08041	32.2
347.05499	1.0
355.09106	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	337.0802
Annotation	[1S-(1alpha,2beta,5alpha)]-4-Bromo-5-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-2-methylphenol acetate
Peak:m/z	Relative Intensity
56.96556	57.4
57.03418	1.5
61.02919	1.1
69.03432	1.9
69.57298	7.5
70.98106	13.0
71.04987	1.1
71.95253	3.9
73.02869	0.8
74.97586	2.9
76.24466	0.8
81.03382	1.0
83.04958	0.9
84.96021	9.8
85.02872	3.6
88.99149	9.1
97.02850	2.4
98.97567	100.0
101.00872	0.9
107.00172	1.3
110.96796	0.9
110.97556	26.9
112.99115	14.3
115.00681	2.9
116.98603	46.4
119.01921	1.7
124.95443	3.4
124.99078	1.2
126.97002	1.4
127.00660	0.9
127.03934	1.1
128.98587	35.0
131.00145	19.5
131.01871	1.7
133.01686	8.5
133.03426	0.8
134.99643	14.7
140.00139	1.4
140.98590	4.7
142.96513	7.0
143.00140	5.6
144.98038	3.7
145.01686	2.7
146.99631	27.6
148.00064	0.8
149.01204	9.2
151.02780	4.8
152.94925	1.2
152.98584	5.1
153.00568	1.0
156.98042	2.0
157.01630	1.0
158.99622	22.0
160.97559	4.1
161.01231	7.4
161.02641	1.2
162.99086	3.1
163.02676	1.0
165.00682	13.2
167.02252	0.9
170.95975	4.8
170.99615	9.1
172.97551	1.1
173.01198	2.8
173.02809	1.1
173.98396	1.1
174.99165	3.9
175.02747	8.3
177.00688	18.7
179.02214	2.0
181.00148	1.0
183.01753	1.7
184.97539	3.7
186.98846	1.3
187.06277	1.0
188.97040	17.1
189.00656	14.9
190.98589	2.5
191.02220	2.4
193.00169	2.6
193.03827	6.6
195.01764	1.7
201.00609	4.3
202.98619	7.3
205.00194	3.8
205.03732	1.7
206.98137	9.7
207.01750	11.3
211.02864	1.5
211.04753	1.4
212.97025	2.7
217.00166	3.7
217.03751	5.1
219.01750	36.3
220.02043	1.2
220.99634	5.4
223.01192	4.4
224.99127	2.0
225.02679	1.2
229.03798	1.6
230.95956	0.9
230.98079	19.9
232.99570	1.0
235.01270	4.1
235.04878	3.0
237.02788	55.8
238.03175	1.7
239.00655	1.4
244.99646	11.1
247.01143	1.2
248.99232	8.6
249.02710	1.8
255.03854	3.0
260.04367	1.3
263.00717	33.4
267.03790	1.8
275.04285	1.2
277.02280	10.0
277.05875	29.7
278.06091	1.7
281.01663	5.0
286.02374	1.2
293.05542	1.8
295.06958	99.2
296.07214	3.6
305.01743	2.0
318.08508	3.3
337.08002	33.2
338.08145	2.0
352.54785	0.8
355.08948	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	337.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51446	5.5
51.59092	4.9
70.71261	5.9
70.71603	13.1
84.17015	5.1
91.73823	6.0
101.68874	6.2
119.01903	10.9
130.38280	5.0
145.03439	9.0
149.18005	6.6
155.01949	7.3
157.03384	6.1
173.02821	6.6
217.02037	7.5
218.54308	6.6
235.06583	6.9
337.08862	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21727	4.3
53.68014	3.9
55.57927	3.8
66.59606	4.4
67.15082	4.3
69.72616	36.7
105.15585	4.4
119.01901	15.5
124.27730	4.2
133.03453	4.5
145.03461	13.0
157.03459	8.4
173.02968	6.4
202.94453	4.6
217.01930	9.7
220.97137	5.4
235.02858	8.0
314.68875	4.5
337.08820	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1064
Annotation	(+)-Hatomarubigin A
Peak:m/z	Relative Intensity
51.02375	0.8
53.03933	1.4
67.05484	1.5
69.07037	1.0
70.83588	1.8
71.04979	6.9
77.03927	1.1
79.05481	4.7
81.07034	1.7
91.05467	2.6
95.04965	2.7
95.08597	1.2
98.21468	0.8
103.05478	0.9
104.94463	0.7
105.03383	2.3
115.05434	3.0
117.07001	1.3
128.06213	2.3
129.06990	15.4
131.04921	2.2
133.02815	3.2
135.04391	100.0
139.05391	1.0
143.04889	1.6
145.06479	1.5
147.04398	4.1
149.02330	1.5
149.05988	6.8
153.06960	2.9
155.04916	1.0
157.06477	7.4
159.04353	1.7
161.05956	2.5
163.03893	3.5
165.06917	1.5
167.04976	1.2
172.05110	1.2
173.05954	12.0
174.06659	1.2
175.03912	3.9
175.07497	3.2
177.05455	3.2
177.06883	1.0
178.07724	1.1
179.08560	1.7
181.06438	1.3
185.05945	35.1
187.07550	10.5
189.07021	2.4
190.07747	3.4
191.08559	5.5
197.05914	6.7
202.07741	5.9
203.08524	34.8
205.06421	1.9
209.05943	24.8
209.07803	1.6
215.06956	14.1
218.07240	3.1
219.08008	9.8
221.05952	1.3
221.09673	1.1
222.06808	1.4
223.07449	1.2
224.04593	0.9
225.05374	1.8
231.08017	27.9
233.05911	1.1
233.09758	1.0
234.06839	1.2
235.07500	3.0
237.05446	10.2
238.06067	1.1
239.06941	1.3
246.06738	10.5
247.07581	3.6
249.09076	11.3
251.06973	1.0
251.10521	1.0
259.07535	7.1
260.08240	1.1
261.09067	26.9
262.06210	3.4
262.09259	1.6
263.07037	3.6
266.05698	21.9
266.08563	1.0
267.06479	41.5
268.06830	1.1
274.06229	6.2
275.06625	1.4
277.08609	10.7
279.06482	16.2
279.09637	1.4
280.06958	1.1
281.08090	1.6
289.08551	47.7
290.05728	1.3
290.08893	2.2
291.06540	1.0
292.07263	1.5
293.08087	4.7
298.66409	0.9
299.74759	0.9
303.06393	2.7
304.07071	5.4
307.09619	7.4
309.11240	2.1
319.09586	28.3
320.09796	1.0
337.10681	18.5
337.26425	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19093	1.2
65.03928	7.5
65.89657	1.2
67.05505	1.2
69.03380	1.7
69.07079	1.4
70.06573	1.4
71.43418	1.9
71.89732	1.2
72.08143	1.4
79.05481	2.4
81.05753	1.7
81.07057	2.0
84.04487	1.3
92.04996	9.9
92.56966	1.3
96.04458	1.8
96.08114	7.9
97.06522	1.9
102.06696	1.4
103.20318	1.3
104.05040	1.3
105.95409	1.2
106.06570	2.3
110.06012	2.0
120.08076	2.0
122.06007	5.5
124.07579	6.3
126.09146	15.3
138.05504	2.1
138.09099	5.0
144.08119	2.0
148.03922	3.6
150.05490	4.5
152.03421	1.7
152.07050	50.2
158.09567	1.8
164.03438	2.4
166.04977	100.0
167.05244	2.1
171.09056	1.3
172.11368	1.3
176.03400	18.4
177.05540	1.5
182.04463	19.0
184.09915	2.8
194.04468	12.4
198.07870	4.2
199.08662	5.0
200.10707	5.8
211.08643	2.9
212.09357	6.2
215.08066	2.1
225.10236	4.2
227.08113	2.3
227.11717	7.7
228.10110	4.9
228.12276	1.4
229.13280	2.7
233.09221	4.0
239.08212	2.4
240.08768	7.1
241.09602	4.7
243.11301	2.4
245.09200	3.6
253.09625	4.5
255.11247	9.5
257.09180	5.1
257.12830	2.4
259.07062	5.4
261.12366	3.1
270.09946	4.0
271.10730	15.7
272.08951	2.5
273.08780	2.2
273.12271	4.3
283.10730	68.1
284.11047	4.4
288.11160	2.4
289.11801	10.2
301.11798	61.8
302.12164	2.7
319.12836	71.6
320.13095	1.7
337.13992	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
57.36355	1.5
64.57902	1.4
65.03924	6.6
67.05504	1.8
69.07033	2.4
69.59990	1.3
70.76457	3.3
70.76823	2.7
79.05505	2.4
81.07041	2.6
91.05487	1.7
92.04996	11.2
92.55634	1.4
92.96837	1.7
95.04955	2.2
96.08111	9.3
105.06999	1.6
109.02859	2.0
109.06485	3.2
109.10131	1.4
124.07573	6.8
126.09162	13.6
138.05464	2.1
138.09125	4.6
148.03958	3.6
150.21915	1.7
152.07047	52.5
152.10519	1.6
162.96851	1.4
164.03383	3.2
166.04979	100.0
167.05367	2.0
171.06772	1.6
171.09076	1.4
172.11201	1.6
176.03386	16.1
182.04463	15.6
184.09882	1.9
190.82071	1.6
194.04512	11.9
198.07820	4.2
199.08684	3.2
200.10672	4.3
209.10779	1.4
211.08603	2.7
212.09436	6.3
215.08006	1.5
225.10355	3.1
226.10849	1.8
227.11726	6.9
228.10234	3.0
229.13315	2.2
233.09203	4.5
240.08916	5.0
241.09702	4.4
245.09189	2.3
253.09656	6.5
255.11314	8.8
257.09137	4.7
257.12759	2.8
259.07077	4.1
261.12372	3.5
270.09854	3.2
271.10690	14.7
273.08807	2.0
273.12402	5.0
283.10748	75.1
284.11041	4.2
289.11737	12.9
301.11774	55.6
302.12320	2.7
319.12839	71.1
320.13138	5.4
353.73880	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34307	0.8
53.03927	1.3
55.01850	3.1
55.05475	1.1
57.03425	1.7
63.02384	1.0
63.17620	0.9
65.03941	1.2
67.05485	6.1
69.03407	3.4
69.07034	1.2
70.06570	1.1
70.11500	5.3
73.02899	1.2
74.89948	0.9
79.05484	20.5
81.03399	5.5
81.07039	14.0
83.04964	1.8
85.02877	2.3
91.05455	13.5
93.07022	11.1
94.04148	1.0
95.04970	6.0
95.08592	12.2
97.02902	1.7
97.06526	1.2
103.05443	3.9
105.04553	1.0
105.07012	23.5
107.04925	11.2
107.08578	8.2
109.06489	12.1
110.03577	1.0
111.08070	1.3
115.05411	4.2
117.06998	3.7
117.40911	0.8
119.04916	9.5
121.06480	5.4
123.08048	7.7
129.06969	1.2
131.04904	100.0
132.05255	2.8
133.06474	23.8
133.07510	1.8
135.08023	9.7
139.07449	1.5
149.04851	1.8
149.05965	22.8
151.07504	30.9
153.09084	11.2
161.07053	2.7
163.07462	1.1
165.07004	1.0
165.43707	1.0
167.07008	4.4
167.08481	1.6
169.08612	4.2
171.10194	1.7
179.06973	1.0
179.08450	1.5
181.10101	1.1
183.53113	1.1
209.13120	1.1
237.12656	1.0
255.13657	1.6
273.12097	1.2
273.14816	1.0
283.13174	1.3
289.14493	1.4
291.13361	1.2
301.14279	2.8
319.12729	4.3
319.15790	2.0
326.66089	1.0
337.09875	1.9
337.13379	3.3
337.17169	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	337.185
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05473	11.3
67.11382	5.4
69.03406	5.7
70.83240	15.8
81.07030	11.6
81.40254	6.1
81.85423	6.1
85.02916	5.8
93.07023	17.8
95.08587	100.0
109.15981	6.4
121.10141	12.1
122.06032	15.0
136.06168	21.9
139.11150	82.5
157.12213	35.5
175.13242	15.8
262.37222	6.6
347.50027	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	337.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41780	1.5
53.03925	3.3
55.01855	5.9
55.05505	22.7
56.52356	1.3
57.03426	13.2
57.07064	20.2
58.07367	1.7
58.60507	1.5
59.93384	1.5
61.02916	4.9
67.05493	23.7
69.03418	18.0
69.07060	16.2
69.38030	1.3
69.49368	11.7
71.01327	5.0
71.04977	9.9
73.02906	12.0
73.06551	4.4
75.04466	1.7
79.05476	34.1
81.03413	5.2
81.06602	3.0
81.07045	38.8
82.07382	1.7
83.04976	10.3
83.08627	8.4
85.02886	12.2
85.06526	20.6
87.04446	2.8
91.05463	19.8
93.07024	17.6
95.04945	6.5
95.08601	16.8
97.02867	2.5
97.06528	4.7
97.10144	2.6
98.21445	3.4
98.66020	1.4
99.04441	9.2
99.08073	3.4
103.03934	4.6
103.07594	2.8
105.07035	3.7
107.08581	10.0
109.06503	23.3
109.10166	2.7
111.04414	5.2
111.08060	35.1
115.03917	5.6
115.07556	5.1
117.07027	2.3
121.10126	1.9
123.08038	4.1
123.11688	2.0
125.09628	5.9
127.00015	1.5
127.07531	20.3
129.05458	3.0
129.09100	4.7
133.10106	34.6
135.08026	5.1
141.09113	3.0
144.68684	1.7
145.08752	1.9
149.09599	100.0
150.09964	2.5
152.41164	1.6
153.09059	25.9
159.10136	1.4
171.10152	21.8
171.11606	2.4
189.11195	6.7
204.92581	1.6
265.68954	1.6
275.77856	1.5
310.25134	1.6
337.27383	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.273
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
52.46592	0.9
53.01852	1.0
53.03928	3.6
55.01851	2.2
55.05502	42.8
57.03162	1.7
57.03426	25.7
57.07063	7.5
65.03920	3.6
67.05491	94.8
68.05822	2.3
69.03393	1.1
69.07053	48.7
71.05003	1.7
71.08608	2.3
71.15708	3.0
79.05478	25.1
80.05791	2.4
81.07042	88.4
82.07374	3.3
83.04984	3.7
83.08601	25.3
85.06506	2.9
85.10167	1.1
91.05458	15.1
91.62905	1.0
93.07022	21.5
94.07361	1.5
95.04933	2.9
95.08585	67.9
96.08898	3.0
97.06518	5.5
97.10149	12.1
105.07014	11.7
107.08567	12.3
109.10139	26.4
110.10500	1.4
111.08063	2.7
111.11707	1.9
113.09631	2.2
119.08545	7.3
121.10123	10.1
123.08053	1.5
123.11687	9.4
125.09601	2.1
131.60432	1.0
133.10103	9.1
135.11690	5.1
137.09604	1.4
137.13228	4.1
144.02664	1.1
146.96323	1.1
147.11646	5.7
149.13210	2.5
151.14833	1.5
161.13258	3.7
163.14864	2.7
165.12733	1.3
165.16354	1.7
175.14781	4.1
179.14297	1.2
189.16451	1.1
245.22595	2.9
263.23660	6.2
337.27298	100.0
338.27682	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	339.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66896	0.9
52.99537	0.7
55.01852	1.0
55.48198	0.7
61.63084	0.7
67.05488	0.7
70.06577	0.9
70.28262	0.7
71.04868	2.4
79.05465	1.5
79.96037	0.8
81.03416	1.7
81.07029	0.9
85.02871	2.5
89.03892	4.9
91.05453	1.5
93.07013	1.2
95.01298	2.2
95.04931	1.4
97.02858	1.0
103.05424	2.3
107.04918	1.9
109.02863	0.9
110.06015	2.0
111.04396	0.6
114.25185	0.7
117.03371	8.2
117.07020	1.0
118.85040	0.8
119.04914	1.4
120.08082	0.9
121.02837	1.5
121.06496	0.9
122.05974	1.4
123.04398	2.6
129.91862	0.7
131.04907	2.2
135.04396	22.5
136.06151	1.6
136.07616	1.2
137.05936	1.6
140.07037	1.1
141.01794	2.3
145.02814	12.0
145.06343	1.1
147.04391	26.5
149.02283	2.8
149.05928	4.5
151.03899	0.9
152.07095	1.4
153.39308	0.8
154.08578	0.9
159.04390	1.8
161.05928	1.2
163.03880	99.6
164.04221	2.8
164.07083	1.0
170.08047	1.1
175.03885	4.2
177.01842	3.6
177.03987	1.8
177.05424	9.6
179.03404	1.0
187.03909	2.3
189.05426	2.3
190.06183	0.8
191.03290	1.2
192.60405	0.8
193.05005	1.5
203.03358	100.0
204.03697	3.2
205.04971	4.0
207.02904	1.2
213.05521	1.3
215.03345	4.7
219.03021	1.9
229.04921	2.3
231.02864	11.4
231.06537	0.9
233.04466	3.7
260.08871	0.9
261.03915	5.2
279.04877	7.1
291.04953	5.3
293.15170	1.0
303.13281	1.2
321.06009	1.1
321.14325	2.2
339.06979	5.4
339.10599	1.2
339.15338	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.107
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03945	1.1
55.05497	0.8
57.03429	1.1
61.02930	0.5
63.02375	0.5
65.20269	0.4
67.05504	0.8
67.80889	0.3
69.03416	5.4
69.07053	0.8
69.58292	2.8
71.01346	0.4
71.04974	0.8
78.04687	0.6
79.05488	0.7
81.03407	11.4
81.07055	1.3
83.08621	0.5
85.02888	3.9
89.03902	7.3
91.05458	1.4
93.07038	1.5
94.99095	0.3
95.04940	0.6
95.08602	1.6
97.02890	2.3
98.20691	0.6
99.04464	1.2
103.05505	0.4
105.07033	0.9
106.04155	0.6
107.04955	0.4
107.08598	1.0
109.02857	3.7
109.10146	0.6
111.04414	0.4
117.03365	24.5
118.03719	0.6
119.08583	1.1
121.10125	1.0
124.05218	0.4
127.03903	1.8
131.08525	0.7
133.10129	0.6
134.03633	2.1
135.04405	1.8
137.05946	0.7
143.08487	0.6
145.02827	57.0
145.10083	0.9
146.03165	1.6
147.04555	0.4
147.11674	0.8
149.05959	8.7
150.06221	0.4
155.08496	0.4
155.56763	0.4
158.06018	0.4
159.11646	0.5
162.03156	0.5
163.03911	1.1
169.10109	0.7
171.11749	0.7
173.13254	0.5
174.77051	0.4
177.05446	100.0
178.02419	0.4
178.05794	4.5
186.05490	1.3
187.14780	0.5
195.06564	2.6
195.11742	0.4
197.13200	0.7
223.14816	0.6
235.07643	0.5
239.63722	0.5
251.10583	0.4
279.08624	0.5
293.22623	2.2
303.08298	0.4
307.09335	0.7
311.23364	0.6
321.09644	10.9
339.10675	3.2
339.23224	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	339.1068
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.01599	0.2
51.22971	0.2
52.08464	0.2
53.03926	1.0
55.01870	0.4
55.05504	0.5
57.03427	1.7
63.02377	0.6
66.55406	0.2
67.05502	0.6
69.03039	0.4
69.03417	8.4
69.07071	0.2
71.01346	0.9
71.02484	0.6
71.04984	1.0
73.02911	0.4
73.64677	0.2
78.04701	0.3
79.05487	0.6
81.03401	4.5
81.07056	0.8
85.02888	4.2
89.03896	7.7
89.04440	0.4
90.04237	0.2
91.05476	1.1
93.07027	0.9
95.04951	0.5
95.08607	0.6
97.02876	14.5
97.06515	0.4
99.04430	1.3
101.02387	0.8
103.05423	0.5
105.06990	0.5
106.04151	0.5
107.08582	0.7
109.02839	1.8
109.10118	0.2
117.03357	26.5
118.03694	0.5
119.04942	0.5
119.08535	0.4
121.06479	0.2
121.10148	0.2
122.05981	0.2
124.05289	0.3
127.03897	1.7
128.06099	0.2
129.06990	0.6
131.04930	0.2
131.08566	0.5
133.10068	0.2
134.03596	1.9
135.04390	4.9
136.04747	0.2
137.05925	1.1
143.08536	0.4
144.30029	0.2
145.02823	62.0
146.03165	1.9
149.02441	0.2
149.05952	8.4
151.07565	0.3
153.05482	0.2
153.07043	0.2
155.08536	0.2
157.10109	0.2
161.06027	0.3
162.03081	0.5
163.03860	1.7
171.11684	0.3
172.03915	0.2
174.06731	0.3
175.07503	0.4
177.05437	100.0
178.05794	3.3
186.05441	1.4
187.07491	1.3
189.09018	0.8
195.06485	3.1
199.14861	0.5
203.08478	0.7
217.08548	1.0
219.07985	0.7
220.08752	0.2
231.08005	0.8
236.08362	0.3
236.42242	0.3
247.07428	0.4
248.08257	0.5
249.05511	0.2
251.10559	0.4
259.07672	0.3
260.08102	0.3
261.09088	0.5
263.06802	0.2
263.10620	0.5
264.07849	0.4
276.07626	0.4
279.08694	0.2
279.10333	0.4
289.08527	0.6
291.10013	1.1
294.08646	0.3
307.09631	0.4
309.11105	0.6
311.12726	0.4
321.09409	3.5
339.10620	7.2
339.22958	0.5
340.10974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1221
Annotation	Demethoxycurcumin
Peak:m/z	Relative Intensity
53.03935	4.1
55.05487	2.3
65.03947	2.4
66.43993	1.6
67.05486	5.5
69.03409	4.4
69.07071	3.1
69.56170	16.4
71.04980	9.5
79.05498	8.2
81.03400	6.0
81.07043	6.8
85.06534	1.9
89.03912	4.0
91.05464	7.8
93.07024	3.0
95.04955	5.1
95.08596	5.5
97.02866	4.1
97.06487	2.6
98.21568	2.7
103.05471	3.7
105.07011	5.6
107.04942	1.7
107.08570	4.2
109.02853	2.2
109.06491	1.9
109.10135	2.3
111.04426	4.9
115.05450	4.9
116.84163	1.7
117.03368	7.8
117.06989	3.8
119.04870	2.0
119.08555	2.7
121.10112	2.8
122.03619	3.9
123.04454	2.7
127.03925	2.0
128.06227	3.2
129.06958	15.8
131.04904	3.7
131.08536	4.6
133.02838	4.8
133.10088	2.2
135.04388	100.0
135.11684	2.8
137.05946	43.4
139.07478	1.6
143.04916	2.1
143.08549	2.0
144.05650	6.7
145.02826	17.3
145.06467	5.0
147.04419	6.8
147.11623	2.5
149.05960	11.1
149.13228	2.3
151.03877	2.3
151.07494	5.0
154.07767	1.7
157.06499	8.4
159.11673	2.8
160.05284	2.2
161.06004	3.2
163.07602	1.9
165.05470	4.4
165.06886	3.4
171.11690	2.4
172.05212	7.9
173.05940	13.3
174.06732	8.6
175.03909	5.0
175.07500	8.9
177.05440	41.7
178.05826	2.3
179.07054	2.5
179.14140	1.6
185.05875	10.4
187.07497	43.6
187.09065	3.1
188.07910	2.6
189.09138	10.8
191.08574	4.6
193.10071	2.4
198.06871	1.9
199.07518	4.5
202.07785	4.6
203.06747	1.4
203.08516	29.4
205.06429	3.9
209.05936	20.5
210.06679	2.6
211.07446	13.1
212.60857	1.6
215.07062	7.2
217.08514	13.2
218.07211	3.6
219.08066	12.5
220.08803	5.4
225.05457	12.7
226.06190	4.2
226.81102	1.9
231.08012	26.6
232.08675	4.5
233.06021	4.0
233.09482	2.3
235.07506	2.4
236.08304	3.7
237.05389	11.2
237.09029	2.3
238.06181	16.3
239.06966	10.3
240.07578	2.0
241.08502	2.0
246.06752	7.1
247.07530	7.2
248.08340	19.1
249.09045	5.7
251.07028	1.8
251.10655	5.8
252.07909	2.8
253.04814	8.8
254.05710	12.1
259.07535	9.5
260.08188	3.3
261.09103	18.0
263.07089	5.6
263.10669	17.2
264.07654	4.0
265.08478	2.5
266.05789	4.2
267.06372	2.2
268.07251	24.1
269.08023	52.6
270.08411	2.1
274.06335	3.3
275.07025	3.7
276.07806	11.6
277.08487	8.2
278.09387	2.3
279.10129	6.9
281.08038	14.6
289.08524	44.1
290.09186	4.7
291.06528	7.6
291.10089	24.9
293.08112	2.3
293.22522	3.4
294.08905	6.8
295.09653	6.6
305.07986	2.3
306.08823	6.1
307.09552	4.2
309.11234	14.6
311.12750	4.0
321.11160	39.9
339.12265	30.6
339.16092	3.8
339.23193	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	339.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.6
55.01873	35.2
55.05513	27.0
57.03424	28.5
57.07061	16.4
65.03934	5.5
67.05499	72.3
69.07051	23.0
70.83060	14.0
74.65257	3.9
77.03989	3.6
79.05482	68.9
79.24799	4.1
81.03396	15.9
81.07045	87.9
83.04965	34.2
83.08596	11.7
85.06505	11.5
88.07600	11.0
91.05465	78.3
93.07033	50.3
94.09161	4.5
95.04955	81.4
95.08595	42.7
97.02876	9.1
97.06495	12.4
97.10150	8.6
98.07343	5.7
105.07019	62.8
107.04943	100.0
107.08580	23.6
108.05744	7.6
109.06512	43.4
109.10130	16.2
111.04437	13.4
111.08070	8.4
112.05204	15.5
113.05979	13.4
115.05404	8.1
117.07015	30.3
119.04901	5.3
119.08584	35.8
120.05682	4.1
120.54477	3.9
121.06482	26.0
121.10123	16.2
122.07302	21.6
123.04379	12.4
123.08054	10.9
123.11632	5.2
125.06004	5.3
128.06290	5.5
129.06979	13.0
131.08546	45.5
133.06477	27.6
133.10126	20.3
135.08023	19.4
135.11673	13.0
141.07002	5.8
143.08549	13.2
145.06471	22.7
145.10135	25.9
147.08032	31.1
147.11687	7.5
149.02303	17.2
149.05916	5.0
149.09593	8.8
151.07562	8.3
151.11107	4.7
155.08490	7.9
157.10165	7.3
159.07988	4.7
159.11674	18.3
161.09634	24.3
161.13223	5.9
162.10323	5.8
163.11168	12.4
165.09119	11.1
169.10101	6.9
171.11711	14.2
173.13281	13.8
177.05444	5.6
177.12743	8.7
187.14783	11.4
193.04938	32.5
197.13240	12.3
202.07248	4.6
205.15796	10.5
213.35379	4.7
215.14278	21.0
224.65614	17.7
233.15331	95.6
256.26291	8.5
265.17978	42.8
273.18436	17.5
275.40411	4.5
290.18826	7.4
304.20206	7.0
305.21228	7.6
339.27655	69.5
339.77859	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	339.2887
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
52.94385	0.9
53.03920	1.5
55.01860	0.8
55.05503	34.6
56.05817	1.1
57.03429	16.8
57.06795	1.0
57.07066	16.2
67.05492	24.2
69.07056	46.7
71.04972	0.9
71.08621	7.9
72.07283	0.7
72.72543	1.1
79.05481	10.3
81.07046	26.9
83.04959	2.0
83.08604	29.4
85.06516	1.8
85.10168	3.9
91.05441	2.0
93.07025	13.1
95.08589	28.2
97.06499	4.3
97.10153	19.6
99.08112	1.1
105.06995	1.5
107.08576	9.2
109.10131	12.8
111.08057	3.7
111.11697	4.6
121.10125	13.6
123.11694	3.8
125.09599	2.4
125.13210	1.7
131.08537	1.0
135.11670	10.0
137.13190	1.2
139.11136	2.0
145.10123	1.0
146.22395	0.9
147.11739	1.0
149.05978	1.2
149.13269	5.1
153.12691	2.3
163.14821	2.3
177.16360	1.4
192.00078	0.8
195.13657	0.8
232.94734	0.9
247.24124	2.4
265.25208	3.9
283.17239	1.2
317.81509	0.9
339.28903	100.0
340.29367	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0863
Annotation	AESCULIN
Peak:m/z	Relative Intensity
53.15420	0.3
58.50080	0.3
67.05449	0.3
69.03407	0.9
70.95811	0.6
70.96150	0.3
73.02944	0.3
78.13076	0.3
79.09818	0.3
81.03386	0.3
84.08131	0.3
85.02921	1.3
97.02877	0.9
101.93805	0.2
105.03362	0.5
109.02841	0.3
117.03390	0.3
123.04417	10.6
127.03913	0.3
133.02832	9.1
135.04404	1.3
151.03888	3.6
179.03371	100.0
180.03722	3.0
319.23758	0.3
341.08521	1.0
359.02747	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.01865	1.9
57.03424	2.9
61.02898	0.7
67.05470	0.8
69.03420	13.8
70.06554	1.1
71.01328	0.9
71.04984	5.2
71.70284	0.5
71.70644	0.4
72.01662	0.4
72.08125	0.4
73.02898	0.6
79.05450	1.1
79.70255	0.4
81.03403	17.1
81.07020	0.9
84.04474	0.5
84.08111	0.8
85.02869	1.2
86.09651	0.5
87.04430	0.5
91.05758	1.2
93.07009	0.4
95.04925	0.6
95.08574	0.9
97.02846	0.9
99.04440	6.5
103.05431	1.0
105.03346	0.5
105.06973	1.6
106.06490	0.5
107.04948	0.8
107.08579	0.6
109.06481	0.7
111.04414	0.4
117.05474	1.5
117.06964	0.4
119.04897	0.4
119.06097	0.5
119.08502	0.5
121.06438	0.9
123.04391	0.9
127.03934	0.4
129.06975	0.7
131.04910	0.7
132.07985	0.4
133.02824	0.6
133.06526	0.8
133.07593	4.5
134.05966	1.7
135.04378	1.0
135.08017	0.4
135.09120	0.6
136.06163	4.5
137.05957	7.7
147.04347	0.5
149.05943	1.3
151.03806	0.6
151.07468	0.9
153.05377	0.5
161.05920	1.1
161.07088	9.3
162.07648	1.2
163.03911	1.0
163.07449	1.0
163.08640	6.8
172.05270	0.5
174.06715	0.7
175.07494	1.1
177.05376	0.8
178.07324	1.1
179.03369	24.0
179.08189	1.2
179.10379	0.4
180.03714	0.8
187.07544	3.5
189.06578	7.0
189.09070	1.2
191.06607	0.4
191.08170	6.7
203.08522	0.9
206.06902	0.6
207.07623	100.0
208.07954	2.2
217.08543	1.6
219.07968	1.1
220.08717	0.6
231.08026	1.0
247.07555	1.0
247.10818	0.7
248.08289	1.0
249.08765	1.3
251.10562	0.7
263.10675	1.3
265.08481	0.5
271.09488	0.5
275.84360	0.4
279.10001	0.8
287.10266	0.9
291.10043	2.6
296.10553	0.6
305.11429	1.5
309.11041	0.5
311.12766	1.6
323.12354	36.5
324.12543	1.0
341.13452	29.0
342.13861	0.7
359.02820	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1378
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03932	0.8
55.01865	0.7
57.65400	0.5
63.75335	0.5
67.05501	0.8
68.79540	0.5
68.81314	0.6
69.03395	1.2
69.70584	0.6
69.70954	4.8
79.05493	2.1
81.07047	1.8
85.02927	0.6
91.05450	3.0
93.07024	1.7
94.04168	3.2
95.04961	1.0
97.02905	0.6
98.20725	1.2
103.05445	2.6
105.07008	0.9
107.04942	1.5
109.06491	2.1
111.04425	1.0
115.05428	1.4
119.04926	1.4
121.06418	0.6
121.10149	0.8
122.03634	7.9
128.06206	1.5
129.06990	6.5
131.04916	4.2
131.08572	0.9
132.96625	0.6
133.02899	1.0
137.05956	100.0
138.06325	1.3
143.08556	0.9
144.05653	2.7
145.06480	1.6
146.07240	0.8
147.04343	0.9
149.05879	1.1
151.03874	0.9
151.07518	2.9
153.05426	1.4
157.06413	3.5
158.07201	1.4
159.04405	1.0
159.08086	1.1
160.05174	1.9
161.05989	2.1
163.07567	1.7
165.05502	1.6
167.06934	0.8
171.08025	1.3
172.05151	3.7
174.06754	9.2
175.07515	7.8
177.05516	1.0
179.07025	0.9
184.05226	0.8
187.07523	25.4
188.07991	0.6
188.96626	0.6
189.09076	11.6
190.07747	1.6
191.07056	0.8
191.08540	3.6
199.07565	3.9
201.81937	0.6
202.07750	4.0
203.06802	1.2
203.08521	12.3
205.06467	1.7
205.08450	0.9
208.08823	1.9
211.07533	2.0
217.08545	16.5
217.10529	1.2
218.07260	1.8
219.08015	8.6
220.08772	4.7
225.08961	0.8
227.06955	1.2
231.08009	14.6
232.08826	3.2
233.05933	1.7
233.09602	1.8
234.06607	0.8
235.07547	2.7
236.08293	3.0
237.09102	2.7
239.06902	0.9
240.07744	1.3
245.09459	0.8
247.07474	6.8
248.08278	14.8
249.09009	2.5
250.06247	1.1
251.10699	4.7
253.08527	2.2
256.07468	0.9
259.07532	4.8
260.08261	3.2
261.05341	0.9
261.09131	3.2
262.09802	1.1
263.07111	1.8
263.10620	14.4
263.13474	0.8
264.07785	2.6
264.10547	0.8
265.08566	4.7
267.27899	0.6
268.07291	1.0
270.08862	2.2
271.09683	4.1
276.07800	8.0
277.08490	3.9
278.05826	0.8
278.09341	0.7
279.10117	10.2
280.07635	0.6
280.10867	2.2
281.08047	2.5
281.11090	0.6
283.09650	1.4
291.10117	31.5
292.10672	3.8
293.08032	3.8
293.11334	1.4
295.09680	1.2
295.13376	0.7
296.10355	6.7
297.10934	1.8
305.11795	1.0
308.10425	3.9
309.11160	1.6
311.12717	11.5
313.14038	0.9
323.12717	26.3
324.13263	0.9
324.28412	0.7
341.09695	1.3
341.13785	24.2
342.14084	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.6
55.05499	5.9
67.05485	1.1
69.07057	1.7
71.31228	2.9
71.31571	1.5
79.05466	4.1
81.07063	2.0
82.06575	1.3
83.08594	3.6
91.05442	5.6
94.04176	3.0
95.04940	1.5
95.08588	2.5
100.07672	1.3
100.11227	13.6
101.11560	3.7
103.05441	1.6
105.06414	1.3
105.06999	6.8
107.05004	1.5
109.06474	3.8
111.04432	2.0
112.07535	1.2
115.05420	5.0
117.07011	3.1
117.37476	1.2
119.08556	4.3
122.03642	10.2
124.05110	1.4
128.06212	3.6
129.06989	4.2
131.04895	1.9
132.05672	3.6
133.06454	5.4
133.51605	1.2
137.05956	100.0
138.06287	3.0
141.11429	2.3
145.06424	2.0
147.04411	2.4
147.08029	4.8
149.06009	3.3
151.07477	1.5
157.06447	1.7
159.08017	2.1
160.05157	3.1
161.05904	7.0
163.07471	1.5
164.14490	1.5
167.07153	1.3
171.08105	1.8
174.06747	1.5
175.07530	39.4
178.07730	1.5
179.03462	1.4
182.15331	3.8
183.15648	2.4
187.07520	11.9
189.09087	4.1
190.07780	3.9
191.08553	8.4
193.77779	1.4
199.07532	7.7
202.07739	4.5
203.08522	7.0
209.16484	2.9
210.14819	3.9
211.07458	2.0
211.15266	2.5
213.17709	1.3
213.67899	2.6
217.08511	1.7
218.07202	1.8
219.08072	10.8
220.08702	2.6
227.17506	1.6
227.67549	2.9
231.07990	7.1
232.08484	1.6
235.07556	2.5
236.08215	2.0
247.07483	4.0
248.08189	4.5
249.08932	2.4
251.10643	11.0
259.07565	3.6
263.10611	5.6
265.08646	1.5
270.08582	1.4
271.09525	2.2
276.72650	1.6
277.08548	2.8
277.22858	2.9
277.33948	1.3
279.10123	7.9
281.11798	1.5
287.16180	1.3
291.10114	9.2
292.10876	3.1
296.10461	2.1
308.10263	1.3
309.11157	2.9
311.12778	9.8
323.12796	6.0
341.10242	1.5
341.13937	7.2
343.30545	4.3
344.30719	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1378
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
53.03928	1.5
55.01875	3.4
55.02083	0.8
55.05481	1.3
57.03419	0.7
57.07066	0.8
65.03940	1.3
66.04694	0.6
67.05497	4.3
68.46655	0.7
69.03408	2.8
69.07047	1.9
70.06590	0.7
70.80430	1.0
70.80762	1.2
71.04974	1.4
77.03925	1.0
79.05472	5.7
81.03401	4.6
81.07026	4.6
81.49615	0.6
83.04987	1.6
83.08601	2.0
84.14283	0.6
85.02878	2.0
85.06533	1.4
91.05450	8.4
93.07042	4.5
94.04164	2.5
95.04934	2.4
95.08593	4.2
95.97288	0.7
96.53712	0.8
97.02879	0.8
97.06519	1.5
100.11205	1.5
102.16710	0.7
103.05447	38.6
104.05786	0.8
105.03384	1.6
105.07011	8.0
107.04926	2.7
107.08575	3.4
109.02843	1.2
109.06483	3.1
109.10162	1.8
111.04417	1.2
115.05426	5.6
116.06199	0.7
117.03349	0.7
117.07006	4.8
118.06535	0.6
119.04906	1.3
119.08548	3.4
120.05701	4.2
121.06493	2.1
121.10082	1.1
122.03619	7.6
123.04490	1.6
123.08033	0.8
124.75942	0.7
125.05937	1.4
127.03867	1.4
128.06210	5.7
129.06982	16.1
131.04904	53.3
131.08510	1.5
132.05650	0.9
133.02835	1.8
133.06432	3.4
133.10132	1.8
135.04416	1.4
135.08002	4.8
137.05951	100.0
138.06320	1.4
139.05466	0.7
143.08478	1.3
144.05688	1.2
145.02808	0.9
145.06441	4.4
145.10150	0.8
146.03181	1.2
147.04370	1.3
147.08046	1.8
147.11636	1.4
148.05145	2.5
149.05919	2.3
149.09599	0.9
151.03897	1.8
151.07495	1.8
153.05457	2.2
155.05959	0.9
155.08582	1.0
156.05661	1.6
157.06483	11.1
157.10056	1.0
159.04372	4.4
159.07990	2.4
160.05125	1.7
161.05948	8.6
161.09537	1.1
161.13220	2.2
162.06772	1.7
163.03876	1.6
163.07515	26.9
167.04906	2.2
167.07051	2.8
171.07964	1.2
172.05237	1.7
173.05954	16.5
174.05252	0.7
174.06694	4.1
175.07539	10.8
177.05453	3.5
177.09029	0.9
178.05771	0.7
179.03374	3.3
179.05849	1.6
179.08543	1.0
182.15491	0.9
184.05141	1.1
185.05951	7.3
187.03787	0.7
187.07509	11.1
188.08289	1.0
189.09097	7.9
191.06992	28.7
191.08423	1.5
193.10165	1.1
199.07509	8.0
202.06212	1.7
202.07840	2.5
203.08517	6.0
205.06589	1.4
205.08632	2.4
206.07231	1.5
211.07478	2.5
217.08566	21.8
217.10542	1.5
218.07295	0.9
219.08067	3.7
220.08766	2.1
221.09621	1.2
223.07515	0.9
227.07010	1.6
231.08076	6.8
232.08688	1.8
234.06696	1.3
235.07542	1.5
236.08046	0.7
237.09023	1.7
239.07001	1.3
247.07555	2.1
248.08318	6.1
249.09119	2.4
251.10641	1.6
256.07291	1.3
259.07501	5.7
260.08139	1.1
261.09152	1.2
262.06314	0.9
263.07278	1.1
263.10657	5.4
264.07727	0.9
264.11356	0.7
265.08542	2.8
266.09048	0.8
270.08759	1.7
271.09668	3.5
275.06998	0.9
276.07800	4.8
277.08652	2.7
279.10175	2.6
280.10965	0.8
281.08273	1.3
281.11664	2.7
291.10114	22.7
291.13348	1.3
292.10764	2.5
293.08075	1.5
294.08829	0.9
296.10364	1.5
297.11160	2.1
305.17264	0.8
308.10440	2.4
309.11130	2.6
311.12820	2.7
317.70041	0.7
323.09717	1.2
323.12772	25.3
326.11432	0.8
341.10089	1.6
341.13797	20.5
341.20554	1.2
341.24640	0.9
342.14252	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1379
Annotation	Obovaten
Peak:m/z	Relative Intensity
56.38625	1.7
60.35144	1.5
61.77384	1.4
66.25848	1.7
69.07076	1.7
71.05911	4.8
75.34959	1.6
81.07056	3.3
81.59938	1.5
88.19123	2.0
91.05464	6.9
94.04168	4.6
103.05387	2.3
105.07005	5.2
107.04932	4.5
109.06459	2.7
115.05448	4.0
119.08559	2.6
122.03647	8.6
128.06219	2.9
129.06969	5.9
130.06503	23.6
131.04901	2.2
132.05705	4.1
133.06464	4.6
134.10208	1.7
137.05963	100.0
138.06361	2.1
145.06453	1.7
147.07997	5.3
159.08043	4.2
160.05164	2.4
161.05963	11.7
161.74658	1.6
162.06746	1.7
166.04958	4.2
167.06998	2.7
175.07535	39.4
187.07529	11.3
189.09012	3.2
190.07729	5.1
191.08583	8.8
199.07481	6.1
202.07748	3.6
203.08524	7.0
206.07213	2.0
218.07230	4.1
219.08035	13.4
220.08688	2.9
221.09596	2.0
231.08011	7.3
234.06702	2.0
235.07396	2.3
247.07573	4.8
248.08244	4.3
249.09024	2.4
251.10687	12.0
259.07455	3.9
263.10764	2.8
277.08472	5.1
279.10034	10.4
281.07990	2.2
281.11685	4.5
291.09970	8.9
292.10852	2.6
293.07910	1.8
309.11127	3.6
311.12738	5.1
323.12540	4.0
341.13821	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	341.1377
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
53.03952	1.0
57.54086	0.9
63.29293	0.9
65.03921	1.0
67.05489	1.7
69.03422	1.3
69.07042	1.0
70.83442	1.9
70.83810	2.0
77.51987	0.9
79.05473	2.8
81.03416	1.9
81.07023	3.3
85.02887	1.4
85.06516	1.0
91.05453	8.6
93.07024	1.9
94.04176	3.6
95.04940	2.3
95.08582	2.0
105.07037	4.6
107.04933	3.4
109.02856	1.6
109.06484	1.5
111.04391	1.4
115.05435	4.1
117.06995	4.0
119.04982	2.2
119.08559	8.0
121.06483	2.9
121.10105	0.9
122.03639	9.0
128.06180	3.0
129.06992	8.1
131.04855	2.4
131.08586	1.4
132.05687	8.0
133.06436	1.6
135.04399	7.8
137.05952	100.0
138.06400	2.4
138.35982	1.2
145.02785	1.7
145.06480	3.0
147.04385	5.6
147.08020	11.0
149.02318	1.5
149.05962	2.5
149.09491	1.0
151.03891	2.7
151.07527	3.3
155.04904	1.7
157.06505	3.3
159.08063	2.3
160.05167	6.0
161.05914	8.1
161.09650	1.5
163.03802	1.6
167.07010	2.9
171.08031	1.7
172.05214	1.0
174.06793	1.6
175.07518	73.5
176.07854	2.2
177.05482	2.3
177.09090	6.5
179.05751	1.3
179.07101	2.0
179.08449	1.4
185.05960	2.6
187.07500	10.3
189.09091	3.6
190.07816	2.8
191.08527	5.4
191.60149	1.1
202.07762	2.7
203.08527	3.1
205.06691	1.0
205.08589	1.4
207.08032	1.5
217.08517	5.8
218.07204	1.4
219.08086	7.1
220.08850	2.7
221.09615	2.2
231.08061	5.6
232.08717	1.2
233.05997	1.6
234.06691	1.5
235.07590	2.0
236.08124	1.3
247.07445	3.9
248.08324	4.6
249.09041	3.2
251.07068	1.2
251.08194	1.1
251.10602	7.6
259.07443	3.0
262.06223	1.3
263.07025	1.2
263.10666	2.2
264.07785	1.5
265.08484	2.1
266.09302	1.2
271.09793	1.7
276.07706	2.3
277.08542	2.9
279.10019	7.6
281.08215	1.4
281.11694	4.2
283.09583	1.5
291.07401	1.1
291.10123	6.0
293.08044	1.5
296.10385	1.1
309.11166	7.4
311.09293	1.9
311.12634	9.1
313.13962	1.2
323.12833	6.7
341.10248	2.1
341.13824	16.6
342.14194	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1379
Annotation	Obovaten
Peak:m/z	Relative Intensity
53.03938	1.9
53.36673	1.4
55.01862	3.8
57.03418	1.9
65.03913	1.8
67.05479	2.6
69.03404	4.1
69.06068	1.4
69.07033	1.8
69.53512	12.5
78.04690	3.6
79.05482	17.3
81.03394	2.7
81.07034	3.9
83.04962	2.1
84.04469	2.5
91.05463	10.4
93.07018	6.2
94.04194	2.4
94.07343	2.0
95.04980	7.3
97.02886	2.7
103.05447	5.7
105.03353	1.7
105.07008	23.7
106.04163	2.0
107.04936	25.1
107.08583	1.7
109.06522	1.7
111.04404	1.7
115.05428	9.4
116.06231	3.5
117.07022	2.5
119.04935	2.3
119.08608	2.2
121.10132	4.0
122.03624	2.4
122.10458	1.8
123.04404	9.4
124.05188	6.3
125.05986	2.2
128.06189	13.8
129.06990	49.3
131.04895	6.0
131.08534	4.5
133.02817	4.6
133.06468	13.8
133.10091	1.9
135.04387	5.8
137.05942	25.6
144.05695	11.5
145.06482	8.0
146.03564	1.5
147.04404	2.3
147.07941	2.1
151.03870	4.2
152.04634	3.2
152.06262	1.7
153.05528	7.3
153.06566	1.4
155.04884	13.2
155.05956	2.4
156.05682	3.5
159.08031	29.7
161.05954	33.2
161.09592	5.8
163.03891	2.1
165.06978	4.6
167.07027	65.6
167.08475	4.1
169.06418	2.6
172.05176	6.6
174.07620	3.5
175.07549	9.9
176.06404	1.7
177.05569	1.8
177.06978	3.6
177.09145	1.7
178.07732	12.2
179.03369	9.4
179.07043	3.8
179.08539	4.0
181.06493	2.5
187.07518	100.0
188.07870	2.0
189.06982	11.9
189.09048	5.4
190.07680	5.3
191.07007	2.6
191.08542	9.1
193.10121	6.3
195.08023	5.0
201.08975	2.1
202.07713	11.4
203.08525	15.6
205.06503	12.9
206.07228	21.2
207.07990	5.9
217.06451	8.0
217.08501	3.0
218.07217	4.6
219.08038	13.7
220.08791	7.3
221.06105	2.8
221.09601	26.1
222.06853	1.9
223.07439	7.7
231.08025	11.1
233.05898	6.8
234.06702	23.5
235.07512	13.1
236.08235	2.5
237.09047	5.4
238.09792	2.3
240.07788	1.5
245.05867	3.3
247.07524	6.7
248.08282	9.9
249.09067	40.3
250.06325	2.6
250.09720	4.5
251.06981	17.7
252.07616	2.4
259.07504	1.7
261.05515	2.9
262.06271	5.4
263.07068	6.8
263.10468	2.3
265.08649	10.1
266.09341	13.5
267.10089	1.8
276.07837	4.6
277.08566	25.5
278.09232	4.8
279.06451	8.9
279.10089	5.0
280.10641	3.2
281.11697	73.7
282.12036	2.7
283.09454	3.2
291.10077	6.0
293.08035	6.2
294.08786	9.6
295.09567	6.6
308.10370	2.7
309.11145	85.1
310.11786	10.3
311.09122	13.8
311.12537	3.0
313.14267	2.2
323.12747	4.1
325.10605	2.5
326.11386	7.2
341.10098	3.9
341.13806	65.4
342.14069	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	11.6
55.01851	13.5
55.02086	3.4
55.05500	23.5
57.03425	5.9
57.57055	3.3
67.05496	78.2
69.03098	4.3
69.03421	62.6
69.06725	2.9
69.07051	20.8
69.61329	27.8
71.04990	20.0
79.05482	49.8
81.03404	68.9
81.07045	100.0
83.04965	37.7
83.08593	13.3
85.02887	17.0
85.06508	11.5
85.69538	3.0
87.04449	6.6
91.05460	51.6
91.64649	3.3
93.07024	59.3
95.01335	4.8
95.04948	21.5
95.08588	75.4
97.02871	25.8
97.06520	27.2
97.10148	6.3
98.20731	5.6
99.04433	8.4
99.08055	3.5
103.05410	4.0
105.07015	44.7
107.04927	13.7
107.08571	34.8
109.02869	15.0
109.06518	18.4
109.10139	27.9
111.04392	12.4
111.08051	7.7
113.00017	7.9
113.05934	3.8
115.05447	7.8
117.06990	20.4
119.08562	40.2
121.06506	19.9
121.10139	21.3
122.03621	6.1
123.04418	7.3
123.08031	18.4
125.05968	5.9
125.09618	3.3
127.03904	25.9
128.06146	3.1
129.05495	3.9
129.07011	17.4
131.04887	6.5
131.08543	24.2
133.06473	13.2
133.10117	23.4
135.04396	12.6
135.08002	17.9
135.11655	12.8
137.05951	60.8
137.09563	7.5
137.13210	7.5
137.80392	3.3
141.06949	3.4
143.08533	12.3
145.02792	6.1
145.06467	7.3
145.10109	12.8
147.03365	4.6
147.04414	5.1
147.08011	12.5
147.11653	11.2
149.05991	8.4
149.09538	6.1
149.13202	9.2
151.03888	4.2
151.07512	26.1
155.08524	6.4
157.10103	9.9
159.08043	9.6
159.11662	9.2
161.05948	9.1
161.09543	5.2
161.13223	29.1
163.07439	4.7
167.07047	8.8
169.02541	5.5
169.08624	3.1
169.10089	5.3
171.11652	11.7
173.11743	8.3
173.13266	9.2
173.37715	3.5
175.07538	18.8
177.05399	10.5
177.09091	6.5
177.12724	9.9
178.05766	4.6
178.07745	3.7
179.03392	4.0
179.14268	13.9
185.13242	4.6
187.07516	17.6
189.09059	5.3
189.12682	5.7
191.08485	3.6
191.14224	3.1
203.14276	3.6
205.06451	3.5
207.13745	9.9
209.13286	3.1
209.15312	11.0
211.07509	6.4
217.08554	7.5
219.07959	6.0
219.13786	7.6
221.09477	5.0
221.15259	6.7
225.14795	10.4
229.14226	5.6
231.08011	6.5
233.15350	4.3
235.07460	5.8
237.14693	22.0
239.07001	5.0
245.15396	3.9
247.07506	4.7
248.08244	8.9
249.09059	6.3
249.14893	4.1
251.16382	10.8
259.07471	3.5
259.16953	4.8
261.14810	5.1
263.10529	7.6
263.16400	10.1
265.08624	3.5
271.09589	7.7
275.16385	5.5
276.07864	3.6
277.08664	6.8
277.17963	8.6
279.10046	6.7
281.11618	5.1
287.16360	12.7
291.10037	9.4
293.17355	3.7
305.17386	39.8
309.11072	10.4
311.12640	4.1
323.12653	7.9
323.18454	54.2
324.18774	4.4
333.43628	3.1
341.10275	6.6
341.13812	20.9
341.19711	17.7
341.24628	3.9
360.55933	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	14.2
55.01869	11.2
55.05504	36.6
57.03428	12.3
65.03903	4.3
67.05495	70.0
69.03419	69.3
69.07050	35.7
70.83905	9.5
71.01358	6.2
71.04982	21.4
73.02925	3.9
74.43321	3.0
79.05482	59.3
80.55344	2.5
81.03413	82.2
81.07047	100.0
82.07389	3.2
83.04966	44.1
83.08604	15.4
85.02900	18.7
85.06539	10.6
87.04445	5.7
91.05463	64.6
93.07028	62.8
93.07584	4.6
95.01335	4.0
95.04955	35.2
95.08597	87.2
97.02874	35.3
97.06519	27.8
97.10152	6.0
99.04436	16.5
99.08098	8.9
103.03909	5.7
103.05473	5.3
105.07018	63.2
107.04953	14.3
107.08588	37.5
109.02853	22.5
109.06507	31.0
109.10159	21.1
111.04436	11.2
111.08067	9.3
115.03917	4.4
115.05442	7.6
117.07011	28.7
119.04941	4.1
119.08560	43.9
121.06524	18.6
121.10112	21.9
123.04425	10.8
123.08060	21.8
125.05944	4.5
125.09602	7.3
127.03891	24.0
128.06226	8.8
129.05519	3.3
129.06982	20.7
131.04913	8.9
131.08539	30.4
133.02773	3.0
133.06488	17.2
133.10129	29.9
135.04378	5.0
135.08017	21.8
135.11674	16.9
137.05984	45.2
137.09599	8.5
137.13246	3.4
139.07552	6.6
141.06918	4.2
143.08472	13.7
145.02841	8.5
145.06464	9.1
145.10120	19.0
147.03394	3.8
147.04446	3.2
147.08037	12.5
147.11711	8.5
149.05995	8.2
149.09596	8.3
149.13293	6.3
151.03894	3.4
151.07498	36.0
153.09164	5.1
155.08498	4.6
155.10681	3.9
156.09294	4.1
157.06490	5.9
157.10121	7.5
159.08084	7.4
159.11713	12.7
161.05965	6.1
161.09630	6.4
161.13219	35.5
163.07567	9.4
165.09048	3.6
167.07033	6.3
167.08392	5.0
169.08614	3.5
169.10052	3.0
171.08049	7.9
171.11641	8.5
172.05244	4.3
173.09557	6.6
173.11765	7.7
173.13254	11.0
174.67053	2.8
175.07564	14.5
175.11218	3.3
177.05478	12.6
177.12759	7.1
178.05812	5.1
179.05925	5.2
179.14272	16.3
183.11696	3.6
185.09595	6.3
185.13191	4.6
187.07462	17.2
188.03548	3.8
189.09116	6.0
189.12767	5.2
191.08459	3.8
191.14259	5.4
195.11826	3.0
199.07637	5.4
199.14818	4.6
201.12782	5.8
203.08714	4.6
205.15872	4.7
207.08061	4.0
207.13834	10.1
209.13480	3.9
209.15352	9.8
213.12642	4.7
217.08620	6.2
219.08081	6.7
219.13805	9.1
221.15306	6.0
223.16875	6.8
225.14876	12.2
226.25217	3.3
231.08084	5.4
233.15492	6.8
235.17049	4.4
237.14806	18.1
241.16020	4.0
245.15379	4.2
247.07639	2.8
248.08255	4.1
249.08922	5.0
249.14833	6.3
251.10825	3.6
251.14162	3.7
251.16429	18.4
259.16922	5.7
262.06348	3.7
263.16415	12.7
269.15302	5.1
275.16406	5.0
276.07739	5.0
277.08551	6.1
277.18021	5.4
281.11630	7.2
287.16464	19.5
291.10141	7.7
293.17465	8.7
298.12195	3.3
305.17444	49.2
309.10971	7.5
311.12784	5.2
323.12662	7.7
323.18445	69.6
324.18765	4.0
341.06641	3.8
341.10242	7.8
341.13754	14.3
341.19669	26.7
341.24753	7.4
341.28476	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	14.0
55.01860	14.2
55.05507	29.5
55.64030	2.8
57.03430	7.4
57.07058	5.8
59.87673	2.5
62.13712	2.7
67.05495	62.7
69.03421	59.2
69.07053	23.7
71.01345	5.7
71.04969	22.2
71.71273	4.0
79.05478	53.2
81.03404	78.8
81.07044	100.0
83.04961	35.2
83.08612	18.3
84.85313	2.9
85.02904	17.7
85.06551	7.3
91.05453	54.5
91.05952	3.4
93.07024	60.1
95.01317	3.8
95.04947	20.9
95.08589	84.2
97.02865	23.3
97.06523	24.4
97.10172	8.5
99.04436	12.8
99.08083	5.9
103.03957	3.9
103.05476	4.8
105.07011	45.0
107.04945	9.1
107.08582	33.2
109.02814	13.4
109.06494	20.3
109.10138	22.7
111.04404	6.4
111.08081	7.9
113.09610	3.1
115.03897	3.3
115.05404	4.0
117.07011	17.2
119.08564	53.1
121.06497	18.5
121.10130	20.6
123.04432	5.1
123.08054	15.7
123.11704	3.5
125.05983	6.9
125.09658	4.2
127.03892	18.5
127.07583	3.5
128.06218	3.3
129.06979	13.7
131.04871	4.1
131.08530	22.9
133.06493	11.4
133.10115	24.4
135.04434	3.9
135.08035	14.1
135.11679	14.3
137.05966	8.4
137.09537	5.7
137.13266	5.9
141.06935	5.1
141.07924	3.0
142.07727	3.5
143.08507	10.2
145.06412	5.0
145.10097	18.5
147.08032	10.5
147.11685	12.0
149.02303	5.9
149.05971	7.1
149.09595	6.2
149.13217	6.2
151.07518	42.4
153.17696	2.9
155.08553	7.9
157.06432	3.0
157.10117	8.7
159.08015	5.2
159.11703	11.2
161.06082	3.2
161.09644	8.5
161.13240	29.0
163.07545	3.6
165.09100	2.9
167.08492	3.3
169.10124	5.0
171.11667	7.1
173.09695	4.3
173.11734	7.4
173.13248	11.7
175.07440	3.8
175.11198	5.8
175.14815	4.7
177.12737	7.6
179.14297	12.7
181.10121	3.1
183.11711	3.4
187.14886	4.1
189.12814	6.9
195.13835	5.1
197.13300	5.8
199.14801	6.7
201.12811	3.9
207.13773	9.0
209.15323	9.8
219.13837	7.6
221.15401	6.1
225.14818	12.1
233.15294	6.8
235.16827	4.1
237.14841	13.9
245.15268	4.6
249.14940	7.9
251.14127	4.5
251.16315	13.5
259.16925	6.2
263.16379	8.7
275.16425	5.7
277.17975	9.1
287.16388	19.9
293.17188	5.9
295.24185	11.4
305.17453	43.2
306.17896	3.9
323.18460	60.8
341.19864	19.8
341.24719	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	341.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62317	2.5
53.03934	15.0
55.01863	13.4
55.05505	32.0
57.03421	9.7
57.07051	4.5
65.03921	5.1
67.05495	60.3
69.03420	56.1
69.07063	28.3
70.84377	3.1
70.84717	6.3
71.01331	4.3
71.04969	18.7
71.68914	2.7
73.06573	2.7
79.05486	56.5
81.03410	76.0
81.07046	90.9
83.04965	37.2
83.08618	13.5
85.02898	21.3
85.06518	13.3
87.04430	4.0
91.05463	52.8
93.07034	67.4
94.46642	2.8
95.01309	5.1
95.04955	29.1
95.08591	81.5
96.03658	2.9
97.02885	26.5
97.06517	35.4
97.10139	7.3
99.04439	14.6
99.08087	9.3
103.05440	9.4
105.04486	2.5
105.07015	62.8
107.04922	15.4
107.08580	30.4
109.02853	15.9
109.06485	24.8
109.10168	25.1
111.04408	9.6
111.08063	7.1
115.03924	5.0
115.05412	7.0
117.03307	3.7
117.07010	21.1
119.04928	5.9
119.08559	41.5
120.02047	3.1
121.06509	20.3
121.10129	18.5
122.03626	7.2
123.04395	8.1
123.08057	14.9
125.09607	3.5
127.03883	14.9
128.06146	6.1
129.05397	3.0
129.06995	19.6
131.04901	9.2
131.08543	20.2
132.05661	3.7
133.02884	4.3
133.06470	15.7
133.10107	23.6
135.04367	12.7
135.08041	14.5
135.11670	13.5
137.05957	100.0
137.09570	8.0
137.13220	3.4
139.07497	3.9
141.06976	5.0
143.08531	9.5
144.05736	3.5
145.02817	5.8
145.06425	5.9
145.10112	12.4
147.04364	7.3
147.08049	11.7
147.11694	8.5
149.05963	11.8
149.09576	6.7
149.13257	5.0
151.03888	4.6
151.07510	39.5
157.06522	4.6
157.10077	5.8
159.08000	11.5
159.11684	13.0
161.05931	14.1
161.09613	7.4
161.13222	31.5
163.07498	6.1
163.11127	4.4
165.08990	3.1
167.07008	12.9
167.08371	3.6
167.30505	2.9
169.10095	4.4
171.07986	7.1
171.11694	7.0
172.05197	3.6
173.09630	4.7
173.11722	7.5
173.13248	8.4
175.07544	34.2
175.10934	3.0
175.14856	4.1
177.05476	10.5
177.09050	3.9
177.12727	7.1
179.03328	3.1
179.05872	4.7
179.14201	14.2
181.06392	3.4
181.10065	4.2
185.09616	4.4
185.13213	5.3
187.03963	5.3
187.07506	24.8
189.07100	4.0
189.09119	8.2
189.12715	7.8
191.08487	4.8
191.14243	4.0
195.08107	4.5
195.13846	3.7
196.08560	2.8
199.07481	5.2
201.12679	4.7
202.07681	5.4
203.08553	7.7
203.14169	3.7
207.08015	4.2
207.13789	9.1
209.15314	9.2
211.07526	3.9
217.08620	5.8
218.07216	4.2
219.08069	11.1
219.13747	7.5
221.09575	6.6
221.15276	8.1
225.14827	7.5
227.14401	4.5
231.07996	8.5
233.15385	5.9
235.07530	4.4
236.08255	3.7
237.14838	21.4
239.06946	3.7
245.15468	4.1
247.07520	9.4
248.08328	10.6
249.09099	8.7
249.14870	7.1
251.10745	7.6
251.16350	11.7
259.07471	6.2
259.17004	4.3
259.38409	3.2
263.10706	8.2
263.16370	11.5
265.08517	5.5
269.15286	5.8
271.09631	7.2
275.16312	4.1
276.08029	4.0
277.08643	6.4
277.17920	6.9
279.10269	5.6
280.10837	3.6
281.11658	9.6
287.13214	3.4
287.16306	22.1
291.10159	16.8
293.08072	4.9
293.17517	6.0
296.10291	5.0
305.17462	39.9
308.10242	5.0
309.11166	11.1
311.12781	10.3
323.12589	8.0
323.18478	66.1
324.18924	3.2
341.10199	10.0
341.13763	22.3
341.19751	21.2
341.24210	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	341.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23134	3.2
53.03935	9.8
55.01852	12.6
55.05506	30.7
57.03428	6.6
57.07057	3.6
63.48584	3.2
65.03935	3.7
67.05495	76.6
69.03426	57.2
69.07055	32.0
70.78445	11.6
71.01317	6.0
71.04974	15.8
73.02879	3.9
73.89173	3.2
79.05485	57.2
81.02940	4.9
81.03404	77.0
81.07046	100.0
83.04968	38.2
83.08607	19.4
85.02897	19.2
85.06531	10.2
91.05455	53.1
93.07037	65.2
95.04942	24.0
95.08585	80.3
97.02874	32.0
97.06511	33.2
97.10139	10.4
98.79873	3.4
99.04437	11.2
99.08077	4.3
103.05447	3.8
105.07018	56.8
107.04950	15.1
107.08575	32.5
109.02866	14.3
109.06486	23.6
109.10137	21.1
111.04414	7.6
111.08070	9.6
115.03912	5.0
115.05424	4.3
115.30653	3.2
116.37104	3.5
117.07008	19.1
119.08563	50.8
121.06503	16.7
121.10144	13.1
123.04419	5.4
123.08061	18.5
123.11666	4.5
125.06022	6.5
125.09600	5.6
127.03910	20.6
128.06195	5.6
129.07005	13.5
131.04895	5.2
131.08548	23.0
133.06458	13.7
133.10112	29.6
135.04404	8.7
135.08005	15.6
135.11665	12.5
137.05968	26.4
137.09602	5.5
137.13226	3.5
142.07791	5.2
143.08530	8.1
145.06468	5.7
145.10104	12.6
147.07990	7.9
147.11664	14.4
149.02309	8.9
149.05978	11.2
149.09544	6.0
149.13174	4.4
151.07507	38.7
155.10596	4.3
157.10114	10.9
159.08078	7.4
159.11679	10.8
161.06007	4.9
161.09581	6.7
161.13222	28.6
163.07571	6.4
163.11238	6.0
167.07103	5.1
169.02655	4.5
169.10054	5.1
170.28667	3.2
171.11635	8.9
173.09622	4.2
173.11765	8.0
173.13269	9.2
175.07472	5.9
175.11198	5.3
177.12709	6.1
179.14302	11.3
183.11668	5.7
185.09541	3.8
185.13263	4.7
187.07504	10.0
187.14778	4.9
189.12726	7.3
190.25955	3.4
191.14192	4.9
195.13808	5.1
203.14336	4.8
207.13765	8.1
209.13414	6.9
209.15359	11.3
217.08630	7.1
219.13843	8.5
221.09605	4.8
221.15213	5.6
223.16925	5.2
225.14864	9.8
233.15282	5.4
237.14723	18.9
248.08470	4.0
249.14662	5.1
251.16379	17.2
259.16962	3.7
263.16385	9.4
269.15137	5.9
277.17972	5.3
287.16440	18.2
293.17520	8.8
305.17450	43.0
309.11194	9.6
323.09061	4.0
323.18484	63.5
341.13681	10.5
341.19769	23.4
341.24170	5.5
341.28055	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	341.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16352	2.5
53.03933	11.2
55.01866	15.5
55.05273	3.0
55.05502	29.7
57.03412	9.6
57.07053	4.1
65.03916	4.5
67.05497	61.4
69.03094	4.0
69.03423	56.0
69.07049	26.0
70.13123	16.1
71.01324	3.7
71.04984	22.9
77.03906	3.9
79.05485	56.5
81.02944	3.8
81.03407	73.2
81.07047	99.5
83.04964	37.8
83.08592	19.0
85.02887	21.5
85.06521	8.3
87.40743	2.8
91.05462	53.2
91.92357	2.7
93.06501	4.8
93.07029	61.5
94.07326	3.7
95.01293	3.1
95.04954	30.9
95.08006	4.4
95.08592	81.7
95.09190	4.5
97.02875	29.4
97.06522	26.8
97.10143	7.5
98.20612	3.4
99.04433	10.8
99.08096	4.8
100.11221	3.5
103.05446	7.0
105.07013	64.0
107.04929	11.4
107.08575	38.2
109.02859	17.7
109.06506	23.9
109.10133	25.8
111.04436	5.9
111.08059	10.5
115.05418	6.8
117.06990	22.7
119.08570	58.7
121.06496	20.5
121.10120	22.1
122.03616	11.0
123.04398	6.6
123.08041	21.6
123.11687	6.0
125.05933	5.3
125.09574	8.0
127.03908	20.3
128.06207	7.7
129.07021	20.8
131.04904	9.9
131.08537	24.1
133.02853	5.5
133.06471	14.6
133.10109	32.3
135.04375	10.1
135.08047	19.2
135.11665	15.2
137.05959	100.0
137.09595	6.0
137.13191	4.1
138.06221	2.8
139.11174	3.0
141.06902	4.9
142.07799	3.8
143.04814	3.2
143.08540	14.1
144.05641	3.8
145.02853	3.9
145.06447	8.1
145.10112	15.2
147.04402	3.0
147.08012	8.5
147.11673	12.5
149.02293	4.4
149.05962	10.6
149.09558	5.0
149.13210	7.2
151.03928	3.8
151.07529	39.2
155.08514	5.6
157.06493	3.5
157.10092	12.8
159.08031	9.6
159.11638	11.8
160.05180	4.3
161.05946	8.5
161.09590	8.4
161.13216	29.3
162.06767	4.8
163.07484	6.5
163.11197	6.2
165.05472	4.7
165.06979	3.4
167.07056	4.2
169.10104	5.4
171.08012	5.6
171.11632	9.1
173.09587	4.8
173.11749	9.4
173.13261	10.9
174.06763	6.2
175.07533	23.0
175.11075	4.6
177.05380	6.1
177.09003	4.7
177.12700	5.7
179.14217	14.3
182.15436	3.5
183.11650	8.3
185.13268	9.0
187.07515	27.5
187.11214	4.1
187.14813	4.4
189.09117	10.3
189.12706	7.8
190.07759	3.4
191.08597	4.0
195.13744	6.4
199.07443	8.0
199.14847	4.0
201.12639	4.7
203.08496	10.8
203.10416	3.7
203.14377	3.7
205.15973	4.2
207.13721	8.8
209.13437	4.5
209.15312	12.0
210.14682	4.0
211.07535	13.2
217.08513	10.7
219.08012	10.9
219.13776	5.0
220.08705	4.9
221.15326	4.5
223.16925	4.3
225.14789	9.2
227.06964	9.5
231.08032	9.4
232.08571	4.6
233.15276	5.4
235.16852	4.3
237.14828	20.1
239.07117	7.0
240.07794	6.3
245.15326	5.6
247.07487	6.9
248.08383	18.8
249.09106	7.7
249.14728	3.8
251.10638	6.3
251.16373	13.3
255.06381	4.9
256.07077	3.8
259.16702	4.0
260.08246	2.9
263.10635	10.2
263.16379	10.1
264.07700	3.5
265.08615	4.5
268.07364	3.1
269.15329	7.0
269.22784	3.7
270.08798	10.2
271.09601	20.7
272.09647	3.4
275.16428	4.4
276.07758	8.4
277.08417	3.9
277.17966	6.8
279.10046	8.3
281.11734	3.9
283.09555	5.9
287.16455	17.1
291.10110	28.9
292.10712	5.5
293.08176	3.2
293.17441	5.6
296.10156	4.2
297.11154	5.4
305.17389	40.9
309.11084	4.7
311.12537	8.0
323.12836	22.1
323.18460	52.1
324.18646	6.0
341.10092	5.1
341.13739	21.1
341.20020	25.0
341.24600	5.2
341.28287	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	341.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	11.9
55.01866	17.7
55.05505	31.0
56.01794	2.8
57.03422	9.3
57.07056	7.0
57.97966	2.7
67.05493	63.4
69.03419	60.4
69.07056	27.5
69.34343	2.7
69.55058	30.1
71.01337	5.1
71.04977	18.9
75.21728	2.7
79.05486	54.5
81.03403	79.6
81.07043	100.0
83.04969	41.8
83.08611	20.8
85.02881	19.5
85.06516	13.2
91.05459	61.4
93.07032	74.9
95.01310	4.2
95.04966	23.5
95.08587	87.3
95.09184	5.1
97.02872	30.9
97.06514	36.6
97.10135	7.6
99.04427	9.8
99.08063	6.4
103.03888	3.8
103.05460	3.4
105.07008	64.1
107.04930	11.6
107.08568	36.9
109.02882	20.4
109.06489	27.1
109.10127	25.8
111.04427	8.3
111.08047	9.7
115.03947	6.3
115.05452	3.7
117.07008	24.5
119.08559	45.6
121.06490	23.5
121.10128	17.5
123.04391	7.5
123.08044	20.7
125.09615	6.7
127.03924	24.6
128.06174	5.2
129.05518	3.8
129.07010	23.9
131.04926	4.1
131.08551	28.0
133.06441	15.4
133.10127	29.7
135.04388	6.4
135.08049	20.0
135.11668	13.7
137.05952	36.2
137.09579	7.1
137.13329	3.5
141.06960	6.9
142.07776	4.6
143.08531	14.8
145.06459	9.8
145.10081	15.4
146.03569	3.3
147.07999	15.4
147.11655	12.8
149.05960	10.2
149.09605	8.4
149.13248	10.0
151.07506	40.9
151.11098	3.4
155.08571	6.9
157.06396	4.8
157.10074	12.2
159.04483	3.3
159.08011	7.0
159.11681	12.9
161.05966	9.3
161.09605	11.6
161.13229	32.1
163.03922	6.0
163.07526	5.2
163.11217	5.9
165.06970	5.6
167.07065	5.1
167.08492	3.4
169.06361	4.0
169.08693	4.0
169.10101	5.0
171.07971	5.7
171.11641	8.4
173.09558	6.2
173.11790	6.5
173.13231	11.8
175.07489	10.7
175.11136	5.3
175.14665	3.7
177.05457	4.5
177.09236	3.3
177.12692	5.6
179.14272	18.2
181.10069	4.4
182.46552	3.5
183.11687	8.4
185.09471	3.7
185.13205	4.4
187.03886	5.7
187.07555	10.9
189.09091	4.4
189.12723	6.4
197.13248	4.1
199.14737	3.9
201.12779	4.0
203.08569	3.8
203.14328	5.2
205.12257	4.1
207.13774	10.9
209.13451	4.0
209.15392	15.1
213.12735	4.1
217.08519	4.8
219.13766	11.1
221.15300	7.7
223.16873	4.7
225.14769	17.6
227.14360	4.3
233.15396	4.9
237.14732	19.7
245.15390	3.5
249.09042	4.3
249.14893	6.2
251.16435	12.3
257.15506	3.9
259.16791	7.1
263.16348	10.6
265.08734	4.5
275.16431	6.3
277.17938	7.5
287.16342	17.2
291.10077	6.8
293.17551	8.0
305.17410	45.2
309.10709	4.2
323.09204	3.9
323.12744	3.9
323.18466	68.6
341.10120	9.0
341.13733	9.2
341.20624	35.0
341.24872	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	341.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.8
55.01866	13.7
55.05503	35.3
57.03422	7.4
63.98612	2.4
65.03926	3.9
67.05495	74.3
68.99763	2.6
69.03424	59.1
69.07047	22.5
70.06885	8.5
70.07304	7.1
71.01350	4.2
71.04987	19.2
79.05487	59.4
81.03410	84.1
81.07044	100.0
83.04974	44.1
83.08619	18.3
85.02905	22.0
85.06525	11.2
86.28533	2.7
87.04417	3.3
91.05465	53.7
93.07029	65.8
93.78263	2.6
95.04950	25.9
95.08003	5.8
95.08595	92.9
97.02878	34.5
97.06519	27.9
97.10159	7.8
99.04453	14.8
99.08093	5.9
105.04488	2.8
105.07014	53.1
107.04957	9.8
107.08591	35.7
109.02867	17.6
109.06512	27.6
109.10140	22.6
111.04432	11.4
111.08071	6.7
115.03936	5.2
115.05466	5.4
117.07005	22.1
119.04911	3.0
119.08572	55.7
121.06503	20.5
121.10120	16.7
123.04433	3.5
123.08076	17.8
123.62993	2.6
123.73634	2.5
125.09585	6.1
127.03907	25.5
128.06232	5.7
129.06992	8.8
131.04922	3.8
131.08533	27.0
133.06474	11.5
133.10104	29.9
135.08073	17.3
135.11694	17.2
137.05977	15.2
137.09598	5.2
137.13242	5.1
139.07544	5.2
141.07028	4.3
143.08557	12.0
145.06532	4.0
145.10104	18.4
147.08041	11.5
147.11653	11.9
149.05980	5.9
149.09647	4.3
149.13245	5.8
150.02571	2.4
151.07536	32.9
153.09032	2.4
155.08551	5.7
155.10751	4.4
157.06462	2.8
157.10159	10.4
159.08070	7.9
159.11703	10.9
161.05969	3.2
161.09637	6.0
161.13240	38.7
163.07556	4.5
163.11212	3.7
165.07036	2.7
167.07082	3.6
169.10158	3.2
171.08055	4.0
171.11690	8.0
173.11728	8.9
173.13274	13.9
175.07513	6.4
175.11110	3.9
175.14824	4.1
177.12714	7.3
179.14252	16.0
183.11696	7.4
185.13249	10.6
187.07521	4.9
187.14821	5.2
189.12729	9.6
191.14256	5.6
195.13780	4.2
197.13281	5.4
201.12720	6.5
203.14380	3.4
205.15781	3.8
207.11732	2.4
207.13843	9.1
209.15361	9.9
213.16469	3.4
219.13789	9.9
221.15414	6.5
223.16953	3.3
225.14838	12.3
227.28105	3.2
229.14288	3.2
233.15358	8.2
235.16803	4.7
237.14824	22.3
245.15457	3.0
249.14886	6.5
251.16414	16.3
259.16946	4.2
263.16473	11.5
269.15283	4.4
269.22675	4.8
275.16431	6.0
276.45093	2.9
277.18042	10.3
281.17554	5.2
287.16470	21.0
293.17664	5.6
305.17395	46.4
323.18494	70.6
323.27448	4.0
324.18951	3.7
341.19717	22.9
341.24774	6.6
341.28357	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	341.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	19.7
55.01859	18.2
55.05495	33.8
57.03422	8.5
59.24162	6.6
63.33528	6.9
65.03951	6.3
67.05488	76.8
69.03413	71.0
69.07043	32.1
70.06782	14.1
70.07191	20.2
71.04977	17.3
78.87718	5.8
79.05484	59.6
81.03397	98.6
81.07040	100.0
83.04961	38.9
83.08587	18.9
85.02890	22.5
85.06528	24.2
91.05459	72.4
93.07033	61.1
95.04940	25.6
95.08588	93.7
97.02876	40.9
97.06508	44.6
99.04409	14.2
99.08129	7.2
103.05457	9.5
103.57265	5.9
105.06998	59.3
105.69688	6.2
107.04904	12.3
107.08571	26.7
109.02843	24.7
109.06514	30.4
109.10122	26.1
111.04364	7.7
111.08080	15.6
115.03909	8.6
115.05383	7.7
117.06989	24.7
119.08543	64.2
121.06505	24.8
121.10122	18.5
123.04401	10.8
123.08048	18.2
125.09604	6.3
127.03878	18.3
129.06970	10.0
131.03351	6.5
131.08524	28.7
133.06444	16.0
133.10104	24.4
135.04384	8.6
135.08023	10.2
135.11708	11.0
137.05949	31.8
137.09607	7.9
141.06946	9.4
143.08553	10.4
145.06422	9.9
145.10112	25.1
147.08064	13.1
147.11671	10.6
149.02306	8.7
149.05994	6.2
149.13237	7.8
149.30716	6.3
149.43884	7.3
151.07497	39.1
155.08421	9.7
157.10153	10.1
159.11620	18.4
161.05936	8.9
161.13239	31.3
167.04700	5.8
171.11586	11.4
173.11742	12.5
173.13254	18.4
177.12660	6.6
179.14287	24.6
181.06490	6.0
187.03850	13.3
187.14624	8.2
189.12740	10.1
195.13731	10.5
207.13657	8.6
209.15292	12.5
219.13676	10.3
225.14810	14.8
237.14777	28.6
239.14751	6.7
251.16393	11.1
263.16165	8.3
275.16245	7.0
287.16351	25.7
305.17432	67.8
323.18481	76.8
341.19620	28.1
341.24548	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	341.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	14.7
55.01847	12.2
55.05507	40.0
57.03424	9.3
61.60881	3.6
65.03920	4.7
67.05492	63.5
68.99778	3.8
69.03419	60.6
69.07065	27.4
70.67198	3.8
71.04975	22.4
73.02926	4.6
79.05072	6.5
79.05486	56.0
81.03405	76.7
81.07046	100.0
83.04967	40.0
83.08611	19.9
85.02906	20.8
85.06522	11.2
87.04465	4.0
91.05460	59.3
93.07025	58.4
95.04955	32.0
95.08592	75.5
97.02911	26.6
97.06513	29.1
97.10139	9.9
98.20652	7.6
99.04436	15.8
99.08102	6.6
103.05439	5.4
105.07020	54.8
107.04926	11.5
107.08600	30.0
108.07970	4.7
108.11282	3.8
109.02876	16.3
109.06505	24.9
109.10160	28.0
111.04414	8.5
111.08028	10.6
115.05466	6.3
117.07011	20.3
119.08562	44.7
121.06487	20.0
121.10123	18.1
123.04405	4.6
123.08039	13.0
124.15948	4.0
125.05926	4.4
125.09580	6.5
127.03899	28.9
128.06200	8.7
129.06976	11.1
131.08562	24.7
133.06474	11.2
133.10124	25.3
135.04381	5.4
135.08054	18.7
135.11671	10.4
137.05965	33.8
137.09622	7.8
139.07535	4.8
139.11211	4.9
141.06935	4.2
143.08543	9.9
145.06502	6.5
145.10120	15.8
147.04337	4.5
147.07993	9.9
147.11668	9.7
149.05949	11.5
149.09561	7.9
149.13254	6.5
151.07503	30.1
155.08502	8.8
157.06490	4.9
157.10091	12.1
157.55768	4.2
159.08000	12.3
159.11681	15.3
161.06009	4.2
161.09642	4.6
161.13260	25.6
163.07529	5.9
163.11145	5.0
167.07140	3.8
167.08470	4.9
169.10109	11.5
171.08047	5.7
171.11667	9.4
173.11771	7.9
173.13210	8.1
175.07477	8.3
175.11177	3.9
177.12825	6.5
179.14311	17.1
183.11676	9.0
185.13252	5.8
187.07552	7.7
187.34863	4.0
189.09102	9.7
189.12650	7.2
191.14307	4.1
193.15869	4.0
195.13896	5.2
199.14763	4.5
207.13770	9.6
209.13420	5.4
209.15355	12.8
211.11070	6.4
217.08470	5.3
219.08009	6.2
219.13791	9.0
221.15323	4.5
223.16904	5.2
223.98160	3.8
225.14847	12.2
233.15388	6.1
237.14851	14.6
248.08513	4.6
249.90515	5.1
251.16386	13.3
257.15247	6.1
259.16800	5.7
261.14847	4.3
263.16336	9.1
269.15332	8.5
271.12146	6.6
275.16266	5.2
277.17917	11.8
287.16385	22.6
291.10077	8.3
293.17340	9.4
305.17407	52.0
309.10953	4.7
311.12738	5.3
323.12769	5.0
323.18405	68.2
341.10025	6.9
341.14005	8.0
341.21204	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.7
55.01868	5.4
55.05501	25.5
56.96555	3.1
57.03432	2.5
57.07063	6.2
65.03937	3.4
65.70110	1.4
67.05499	45.6
69.03419	21.5
69.07059	23.4
71.04977	7.4
71.70241	2.9
71.94082	1.8
72.93777	5.2
77.03868	2.3
79.05480	36.9
81.03406	26.0
81.07046	65.1
83.04969	15.5
83.08596	14.7
85.02879	7.6
85.06535	5.7
90.94847	2.0
91.05454	41.1
93.07030	68.3
93.15937	1.7
95.04958	12.6
95.08592	90.5
97.02888	10.7
97.06510	12.3
97.10166	4.7
99.04437	6.3
99.08091	12.6
103.05447	3.5
105.06326	3.9
105.07019	59.7
107.04942	4.8
107.08575	77.9
109.02868	3.4
109.06496	12.0
109.10137	40.5
110.63643	1.6
111.04422	3.5
111.08068	3.7
113.09606	2.0
113.96405	9.9
115.05502	2.7
117.06992	15.7
119.04952	1.8
119.08560	100.0
121.06467	6.8
121.10120	38.0
123.04442	2.8
123.08056	8.8
123.11693	14.5
125.05951	3.3
125.09608	4.1
127.03890	7.9
128.06204	2.6
129.05406	1.9
129.06987	12.1
129.62042	1.9
131.08551	37.9
131.97414	9.3
133.06467	6.0
133.10112	49.9
134.79848	1.7
135.08032	7.0
135.11668	29.2
137.05963	7.7
137.09615	4.0
137.13205	6.0
141.06949	3.6
142.07782	2.2
143.08524	16.3
145.06425	1.8
145.10101	37.6
147.08069	3.9
147.11664	37.8
149.05933	4.0
149.09589	3.2
149.13257	11.6
151.07535	13.7
151.11142	2.8
151.14818	1.9
153.09120	5.7
154.99037	6.3
155.08539	4.8
155.10632	1.9
156.09340	2.5
157.10091	18.4
158.10919	2.7
159.08052	4.1
159.11674	34.7
161.13246	32.6
163.07542	4.9
163.14812	6.8
169.02660	2.0
169.08839	1.9
169.10101	11.5
171.07954	2.6
171.11670	14.7
171.51784	1.6
173.11760	3.9
173.13213	34.9
175.07509	2.0
175.14815	12.3
177.09096	1.9
177.12762	5.2
177.16360	2.8
179.03499	1.6
179.14302	3.8
181.10129	2.6
183.11642	10.9
185.13225	16.0
187.14790	29.2
187.16389	3.1
188.15512	2.0
189.09244	1.8
189.11194	1.8
189.12799	3.2
189.16400	10.1
191.14313	5.2
195.11719	2.1
197.13235	5.1
199.11252	2.0
199.14816	19.5
201.16339	17.9
203.14268	5.7
205.12325	2.0
205.15894	3.8
207.13762	3.1
209.13475	2.2
209.15399	4.7
211.14755	8.0
213.16344	12.7
215.14345	3.4
215.17911	3.1
219.13768	5.0
221.15382	3.9
223.16873	1.8
225.14528	2.2
225.16577	8.3
226.17117	3.3
227.17955	6.5
229.14313	4.0
233.15376	6.8
237.14836	5.0
239.17918	6.1
245.15393	5.4
247.12447	2.0
249.18692	2.7
251.16357	4.1
253.12468	1.8
253.19592	13.0
254.23949	1.9
259.16895	3.9
259.63995	2.3
263.16376	4.1
267.20987	5.0
269.22610	40.3
271.17026	2.7
277.18109	3.0
281.22412	1.7
287.16312	5.9
293.17453	2.9
295.24149	20.3
305.17361	15.2
313.25418	1.6
323.18546	19.2
323.23557	3.7
323.27136	19.1
341.13724	2.4
341.20035	7.1
341.24634	27.3
341.28397	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09936	1.4
53.03920	1.6
55.05493	1.8
56.05016	1.9
57.03413	3.5
57.07054	1.7
67.05480	3.1
69.03410	6.2
69.07050	3.8
70.06559	3.3
71.04977	3.1
71.08608	3.1
71.70240	2.0
73.02889	2.4
79.05457	3.9
80.05007	2.6
81.03383	4.5
81.07037	11.4
82.02937	3.2
83.04956	2.5
84.04472	3.0
84.08136	1.6
85.02895	16.5
85.06524	3.1
86.09693	3.1
87.04438	2.0
91.05420	1.8
93.07021	2.3
95.04963	7.6
97.02882	4.1
97.07638	3.7
98.97594	1.5
99.04436	2.4
99.05544	5.9
99.08080	12.8
102.05531	2.0
103.07560	2.5
105.06987	4.5
107.08580	2.1
108.04441	2.0
109.02855	2.6
109.06496	11.6
110.06018	2.5
111.05549	24.2
116.07054	1.6
117.09107	53.9
117.21317	1.6
120.08075	1.6
121.06533	1.6
122.09643	5.3
123.04335	1.7
123.07997	1.7
125.07092	14.2
126.05494	5.8
127.03903	5.1
127.05003	4.2
127.07530	31.1
131.04839	1.7
133.06476	2.5
136.06137	2.4
137.05949	6.4
138.05402	2.8
138.09085	1.6
139.05003	39.3
139.12254	2.2
145.04945	2.7
145.08502	2.6
150.09120	8.3
152.07045	1.9
152.10646	3.3
153.06538	3.3
162.05475	2.2
162.09119	2.1
163.07498	2.0
163.09680	11.3
164.06998	1.7
165.09134	2.4
166.05008	1.6
166.08574	2.1
167.07007	1.6
167.11766	20.6
168.10239	2.0
179.03328	10.6
180.03711	13.1
180.06358	3.6
180.10077	3.4
181.04955	7.6
187.07509	1.8
195.11253	100.0
196.11551	2.0
223.10771	5.2
261.41251	1.5
296.10913	1.5
324.15631	19.9
342.13586	2.5
343.13687	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	342.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29701	1.3
57.03425	8.0
57.07051	2.0
61.02906	2.1
69.03407	9.4
70.06589	3.7
70.22623	1.4
70.83884	4.8
71.04972	3.3
71.08612	6.3
73.46667	1.5
79.05476	2.1
79.90324	1.3
81.03385	5.1
81.07039	14.7
81.79132	1.5
84.08143	1.5
85.02888	14.5
85.06522	1.8
86.09677	1.8
93.07016	2.4
95.04973	2.7
95.86520	1.5
97.02871	6.8
99.08071	18.1
100.14215	1.4
103.07523	9.1
109.02857	2.0
109.06503	14.3
117.09109	100.0
119.04912	1.9
120.08110	2.4
123.04359	2.1
124.07542	1.7
127.03904	4.9
127.07533	44.3
131.69864	1.5
133.06462	1.9
135.08026	1.8
137.05977	4.4
138.05424	2.1
138.09161	1.9
145.04958	2.2
147.04408	1.7
152.07001	2.9
162.09171	2.0
163.09634	25.5
179.03395	2.4
180.03741	1.9
180.06444	2.9
180.10117	3.1
181.04939	6.8
181.65356	1.5
190.33607	1.4
192.30058	1.5
207.07561	4.2
208.07907	7.2
227.10515	1.7
275.27454	1.5
293.49615	1.6
314.12408	1.6
324.12897	3.8
342.13770	3.6
358.56247	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.9
54.70804	1.5
55.01870	2.8
55.05509	9.3
55.05717	1.5
56.96539	1.4
57.03415	3.6
57.07064	14.4
61.02912	3.1
61.77885	1.3
62.04362	1.4
67.05480	1.5
69.03407	9.6
69.07047	2.2
70.06570	6.7
71.04980	1.5
71.08572	1.3
71.59594	3.7
73.02877	2.9
76.32870	1.5
79.05472	4.3
81.03399	6.9
81.07025	6.4
83.04958	2.9
83.08599	5.1
83.64719	1.6
84.04472	2.3
85.02888	22.2
85.43183	1.4
86.09692	4.0
87.04445	1.9
89.06017	40.6
91.05469	2.5
93.07026	4.3
95.04988	3.6
95.08577	3.5
96.08912	2.5
96.42327	1.4
97.02876	7.7
97.06517	3.6
101.09639	18.5
105.07023	3.6
107.04913	1.9
107.07047	42.0
107.08584	3.5
109.02856	5.4
117.07016	1.9
121.06424	2.4
123.04356	1.9
127.03897	5.1
130.20840	1.6
133.02824	4.1
137.02325	1.8
137.05978	10.5
138.06282	4.1
138.09145	1.9
140.04575	1.9
145.04944	2.5
149.06013	1.5
151.03819	2.5
153.05441	1.5
155.11745	2.2
163.07455	2.1
163.11108	3.7
163.13269	100.0
164.13568	2.9
170.02638	1.7
175.07468	3.3
180.06509	2.0
181.04938	26.2
181.12138	2.0
183.11209	2.1
185.86986	1.6
187.07466	2.4
188.07845	2.6
195.11261	1.7
225.12248	2.6
290.53641	1.5
292.10431	3.4
305.90323	1.9
324.13089	2.2
342.14920	5.0
342.26355	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	342.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80349	1.5
53.03938	2.8
55.01859	7.1
55.05503	58.3
57.55171	1.8
58.91276	1.8
60.37916	1.9
61.21596	1.7
67.05490	19.0
69.03434	8.7
69.07061	24.6
70.15228	3.8
70.15645	6.7
73.06548	1.9
74.41336	1.7
79.05479	34.5
81.07047	21.0
83.04984	5.4
83.08608	32.5
91.05470	14.8
93.07033	19.3
95.04967	3.2
95.08611	13.0
97.06528	5.4
97.10155	86.5
98.20717	2.3
105.07009	17.8
107.04940	3.7
107.08579	95.1
108.08955	2.0
109.06503	3.8
109.10144	5.6
110.33344	1.7
111.08054	4.6
117.07014	4.2
119.08587	11.1
121.10143	4.6
123.07993	2.2
124.11182	2.6
125.09616	87.5
131.08569	5.8
133.10115	9.0
135.08026	20.6
135.11697	3.4
145.10109	10.9
147.11650	7.1
149.09593	4.2
151.07594	1.9
153.09087	13.9
157.10141	1.7
157.12228	10.5
159.11684	6.3
163.11201	3.7
171.10205	2.8
171.11591	2.1
173.13319	2.7
181.12213	3.3
189.42502	1.8
193.12267	1.7
197.55920	1.7
203.12753	100.0
229.19467	2.1
239.17923	6.9
249.18750	1.9
257.19043	9.9
257.21353	1.8
258.81213	1.8
264.78754	1.5
275.20010	39.0
289.21490	11.5
307.22665	6.7
343.22870	2.5
349.97055	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.5
55.13102	0.2
57.07069	9.3
58.06586	1.4
62.05798	0.3
62.06085	3.0
66.02644	0.2
66.34959	0.2
67.05488	0.4
69.07040	0.4
70.90456	0.5
70.90813	0.2
71.08624	4.5
72.08142	1.4
74.06058	0.2
79.05486	0.3
80.18509	0.2
81.07040	0.8
85.10172	0.9
93.07035	0.3
95.08611	0.9
102.83315	0.2
105.07018	0.3
107.08588	0.6
108.58469	0.2
109.10146	0.3
114.07635	0.2
119.08599	0.2
123.11638	0.2
135.11662	0.4
156.17451	1.7
170.18903	0.3
172.16954	0.2
174.18507	5.4
180.97881	0.2
202.21635	0.3
212.23721	1.3
230.24760	4.8
260.98721	0.2
277.30292	0.2
298.34583	0.3
324.36282	1.0
325.28650	0.2
342.37268	100.0
343.30164	0.4
343.37604	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	343.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	6.4
56.96568	3.5
57.03421	3.5
58.31845	2.9
59.37850	2.7
61.01154	2.8
69.03420	7.8
70.06574	9.5
70.85055	2.7
71.08515	7.8
73.02914	3.3
79.05485	13.7
81.03403	8.7
81.07037	6.0
85.02895	26.0
86.09690	4.5
91.05403	7.5
95.04971	6.4
95.06071	4.6
95.08610	4.1
97.02879	10.1
98.97561	4.3
103.05436	4.6
103.28141	3.6
105.07021	67.1
107.04951	2.7
107.08548	3.2
109.02846	3.6
110.07168	17.4
115.05470	3.4
116.98630	4.8
119.04921	13.9
121.06455	8.4
122.03603	4.8
123.04501	3.2
127.03903	3.3
131.04871	3.6
133.06470	100.0
137.05946	85.4
138.06300	5.6
145.04927	3.7
147.04382	61.4
149.05939	16.8
151.07561	3.0
163.03954	3.2
164.01669	14.3
165.05473	35.8
165.09090	50.8
166.06161	10.5
181.04927	10.1
182.02661	8.4
187.14746	3.2
194.05687	5.5
196.98451	2.8
219.01639	3.5
325.14951	11.1
339.07486	6.9
343.13580	23.2
344.13687	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	343.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33616	0.7
53.03922	2.0
55.01850	2.6
55.05491	1.5
57.03426	3.7
57.07065	1.5
61.02917	4.8
61.86240	0.6
65.03918	0.8
65.99582	0.7
67.05493	2.1
69.03419	17.3
69.07041	1.8
70.06564	1.0
70.65629	1.6
70.65997	1.3
71.04997	3.1
72.08134	0.7
73.02901	2.2
79.05492	4.6
81.03403	7.0
81.07044	9.7
83.04961	6.8
83.08592	0.8
84.08131	1.0
85.02895	39.2
85.06541	1.2
86.09707	1.3
87.04444	2.5
91.03929	2.2
91.05458	5.0
93.07036	10.0
95.04960	20.1
95.08582	2.0
97.02883	10.7
97.06525	3.2
98.20783	0.9
99.04446	3.7
103.03929	0.7
103.05450	0.9
105.07018	10.0
107.04938	2.9
107.08579	11.0
109.01698	0.7
109.02882	3.8
109.06488	2.8
115.03947	1.0
117.06983	3.6
119.04957	1.0
119.08566	4.6
121.06508	5.0
121.10127	12.6
123.08060	1.2
125.05121	0.9
125.05978	12.3
127.03899	8.0
129.06972	0.8
130.07776	3.1
133.06444	1.3
133.10136	1.5
135.08047	2.0
135.11682	5.8
137.05971	4.3
137.09570	1.2
143.08548	1.6
145.04930	6.9
145.10109	19.9
147.04399	2.2
147.08034	1.2
148.08823	1.0
151.03821	0.7
151.07530	1.0
161.09615	2.1
163.11163	100.0
164.07034	1.3
164.11504	2.9
165.09068	1.6
165.12708	0.8
167.07048	1.5
168.59962	0.7
175.11154	1.5
180.23384	0.7
181.04904	4.0
181.08505	1.2
181.12215	20.0
182.12518	0.7
183.10156	1.2
193.12335	1.0
199.08296	0.7
205.12212	2.8
223.13326	1.9
229.12132	0.8
241.08876	0.6
265.08707	0.8
293.08081	0.9
307.15427	1.9
325.10547	1.2
343.13684	6.7
356.62427	0.7
368.74573	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.7
55.01849	4.4
55.05499	3.9
57.03428	8.0
57.07051	2.4
59.04962	2.1
61.02919	14.5
61.20215	2.0
65.03905	2.8
67.05499	3.5
69.03421	30.0
69.07053	2.5
69.72002	7.8
69.72408	3.1
70.06585	3.9
71.01344	2.3
71.04968	5.4
71.84047	1.8
72.08142	3.3
73.02881	5.4
75.46769	1.5
76.63589	1.7
79.05475	7.7
81.03408	15.8
81.07040	12.6
82.07373	2.3
83.04967	9.1
85.02892	85.4
85.06505	1.8
86.09690	2.8
87.04448	3.8
91.03933	4.6
91.05462	8.7
93.07033	16.7
95.04949	37.9
95.08587	11.0
97.02876	26.2
97.06521	4.8
97.45876	2.1
98.21424	3.3
99.04433	6.2
103.03934	2.2
103.05419	1.6
105.07005	13.3
107.04899	2.6
107.08580	14.7
109.02848	8.5
109.06505	18.6
109.10152	3.8
111.04412	1.6
117.06997	6.1
119.08573	9.8
121.06470	6.9
121.10134	16.8
123.08051	5.2
125.05969	8.9
125.09546	1.8
127.03905	17.5
130.07759	4.2
133.02835	1.8
133.10118	3.7
135.08035	7.2
135.11685	12.8
137.06015	4.9
137.09615	2.7
143.08528	2.4
145.04919	18.0
145.10101	15.6
147.11664	5.4
149.05977	1.8
150.98766	1.5
155.05815	1.5
161.09636	3.1
163.06169	1.6
163.07526	4.7
163.11154	100.0
164.11522	2.8
165.05507	2.5
165.12717	7.8
174.83502	1.7
175.11147	3.2
181.04924	14.3
181.12201	58.8
182.12564	1.8
185.09286	1.6
197.46730	1.7
205.12170	2.4
210.18114	1.6
213.05698	1.7
213.36284	1.7
223.13260	3.8
265.00385	1.9
266.98047	1.9
274.59262	1.7
297.10913	1.6
307.15134	2.7
332.56219	1.7
343.17798	1.6
343.23373	1.8
363.30792	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2264
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03933	5.8
55.01849	5.7
55.05498	17.2
57.03420	8.8
57.07076	9.1
57.97330	1.8
59.04974	6.2
63.01043	2.0
65.03938	3.0
67.05497	30.3
69.03419	12.1
69.07045	8.3
69.42457	19.5
71.04984	22.1
79.05486	29.7
81.03383	4.2
81.07050	29.0
83.04959	6.4
83.08627	2.4
83.37196	2.3
85.06523	4.5
91.04922	2.9
91.05466	40.7
93.07035	79.9
94.76850	1.6
95.04957	61.4
95.08593	98.0
96.05280	1.9
96.08924	2.6
96.41589	1.8
97.06525	19.0
99.04319	1.8
103.05447	4.9
103.43415	1.9
105.07015	100.0
105.99227	1.9
106.07331	3.7
107.04941	4.4
107.08584	62.0
108.08875	2.4
109.06494	18.3
109.10140	5.8
111.08085	4.3
115.05450	9.9
117.07005	35.5
119.08560	34.0
121.06485	15.2
121.10124	19.7
123.08051	28.1
125.06000	2.7
128.06194	6.0
129.07014	5.3
129.88867	2.1
130.07753	23.4
131.08568	11.5
133.06447	7.7
133.10118	20.7
135.08031	29.8
135.11691	15.1
137.05981	2.9
137.09599	7.9
141.06995	2.7
142.07788	4.7
143.08521	11.3
145.06497	2.5
145.10107	89.3
146.10371	2.2
147.08022	16.9
147.11668	6.2
149.09607	6.3
151.07516	52.4
153.09062	3.8
155.08498	4.6
156.09346	3.3
157.10129	11.0
158.44295	1.9
159.08022	5.8
159.11641	10.6
160.08701	2.3
161.09573	11.6
161.13249	4.2
163.07503	2.3
163.11153	70.8
165.09116	22.1
168.06085	2.0
169.10100	4.7
171.08022	2.6
171.11684	8.9
173.09698	5.2
173.13269	5.3
175.11159	4.5
175.32907	1.9
177.09097	5.0
179.06990	3.9
181.10136	4.7
181.12048	1.8
183.11671	5.4
187.11137	10.1
189.12743	13.1
191.10696	3.1
191.14308	4.9
195.11615	3.1
197.13200	2.7
199.11160	2.5
199.14668	2.8
201.12729	2.9
203.14297	11.8
207.12018	2.3
207.13661	9.2
209.13341	2.6
209.15358	5.3
215.14290	4.9
217.12289	3.0
221.15332	32.2
223.14735	3.8
225.12590	2.7
233.15294	3.7
239.17943	2.3
241.15828	3.8
263.16397	6.0
269.15311	4.6
286.19196	5.5
287.20084	2.8
312.75043	2.1
325.21478	10.9
343.22635	91.7
343.26801	4.5
344.22983	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	343.2263
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03939	6.0
55.01851	9.3
55.05502	21.2
57.03416	10.7
57.07069	12.2
58.03333	2.7
59.04971	6.7
65.03932	3.6
67.05190	2.7
67.05498	33.3
69.03419	12.8
69.07059	7.5
70.96406	3.6
71.04982	28.4
79.05478	26.7
81.03386	5.3
81.07043	38.2
81.95831	2.3
83.04952	7.3
85.06516	7.1
91.05474	39.7
93.07030	81.8
95.04955	75.3
95.08592	95.1
96.34393	2.5
97.06517	24.8
98.20753	2.8
103.05409	2.8
105.07016	96.1
105.07719	4.8
106.07310	2.2
107.04941	5.1
107.08578	64.1
109.06499	20.6
109.10157	11.1
111.08009	2.6
115.05437	8.1
117.07000	37.2
119.08569	38.1
121.06510	18.7
121.10114	18.6
122.07253	3.0
122.10485	2.6
123.08045	38.3
125.06004	3.1
128.06204	3.5
129.06990	7.4
130.07782	19.0
131.08549	10.2
133.06458	5.2
133.10112	25.1
135.08029	35.9
135.11700	18.5
137.05962	3.1
137.09595	9.3
142.07790	5.4
143.08542	18.0
145.06403	3.0
145.10109	100.0
146.10416	4.2
147.08005	19.9
147.11679	8.0
149.09586	8.4
151.07527	55.6
153.09091	5.1
155.08459	3.1
157.10120	11.6
159.07979	6.5
159.11678	11.1
161.09608	9.4
161.13208	5.1
163.07565	2.9
163.11171	78.0
165.09096	18.2
166.09261	2.2
169.10179	3.6
170.10960	2.4
171.11653	6.0
173.09610	7.1
173.13272	4.2
175.11139	6.5
177.09070	6.5
179.06990	5.2
182.10838	3.1
183.11705	5.1
185.09567	3.0
185.13214	3.7
187.11179	6.9
187.14859	2.7
189.09059	3.7
189.12778	16.5
189.16321	5.7
191.10638	3.3
191.14288	4.1
197.13226	4.4
201.12819	4.6
203.14331	10.2
207.10052	4.0
207.13756	6.3
209.15421	5.9
213.12820	3.5
215.14304	4.8
217.12311	3.1
221.13245	4.4
221.15315	34.1
223.14771	2.9
224.72916	2.7
227.14203	2.8
233.15367	3.9
241.15948	2.4
245.15320	3.8
263.16446	6.7
269.15274	4.1
274.19244	3.1
276.38525	2.6
286.19235	8.4
287.19788	3.1
325.21570	12.7
343.22638	87.3
344.23035	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2262
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.33043	2.0
53.03934	7.0
55.01855	6.4
55.05500	24.8
55.99233	2.2
56.72022	2.0
57.03429	11.3
57.07070	11.4
59.04983	6.6
65.03911	3.7
65.14155	2.0
67.05499	35.2
68.70522	2.8
69.03429	13.1
69.07057	8.9
70.06731	10.7
71.04986	27.0
79.05482	32.3
81.03407	5.0
81.07051	35.6
83.04961	6.7
83.08619	2.8
85.06528	6.4
91.05466	46.8
93.07034	84.6
95.04953	71.1
95.08592	96.3
97.06512	23.5
97.10170	4.1
105.07014	98.5
107.04926	6.2
107.08575	71.3
109.06496	19.7
109.10139	7.3
111.08057	4.0
115.05444	10.8
117.07006	38.9
119.08565	39.9
121.06492	22.2
121.10113	24.3
121.14713	2.6
122.07197	2.5
123.08051	35.0
125.05959	5.5
125.09578	2.8
128.06227	5.1
129.06946	6.4
130.07782	18.1
131.08588	11.1
133.06491	8.6
133.10121	23.8
135.08034	35.1
135.11702	14.9
137.05991	4.2
137.09579	6.8
141.07014	3.1
142.07753	4.5
143.08551	14.1
145.06393	3.0
145.10104	91.5
147.07986	12.8
147.11671	6.1
149.09601	8.6
149.13226	3.5
151.07515	53.2
153.09055	5.5
155.08565	2.6
156.09294	4.3
157.10110	9.9
159.08066	5.0
159.11729	12.5
161.09596	11.0
161.13171	5.0
163.07455	2.7
163.11159	78.1
164.11371	2.4
165.09103	24.7
169.10139	4.5
171.11681	6.0
173.09605	6.2
173.13293	4.3
175.11130	5.9
177.09109	5.5
179.07022	5.6
181.10106	2.7
182.10913	3.4
183.11652	3.2
185.13248	4.5
187.11119	8.6
189.12624	11.7
191.14304	3.8
195.11662	4.8
197.13275	5.0
199.11105	3.9
201.12808	2.1
203.12634	2.9
203.14348	12.3
207.10091	3.2
207.11992	3.0
207.13855	10.2
209.13347	5.2
209.15387	3.9
213.12671	2.6
215.14343	5.6
217.12238	3.6
219.13528	2.8
221.15332	38.6
225.12822	4.0
231.81183	2.6
233.15419	6.8
243.13840	3.0
245.15210	3.2
263.16330	13.0
269.15463	4.8
270.55008	2.3
274.19131	3.1
286.19269	7.3
287.16650	3.3
287.19946	5.4
297.22003	2.5
325.21652	10.2
341.33713	2.3
343.22638	100.0
343.26257	8.0
344.23050	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	343.2262
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03930	4.9
54.59185	2.6
55.01854	5.8
55.05514	15.6
57.03412	10.7
57.07051	9.0
57.50127	2.5
59.04982	4.0
65.03884	2.9
67.05496	21.0
67.22073	2.5
69.03401	11.6
69.07037	7.2
70.30199	12.8
71.04974	18.8
72.03595	2.7
79.05491	26.4
81.03394	3.9
81.07049	33.2
83.04949	4.6
85.06516	4.5
91.05460	28.8
93.07030	68.1
95.04395	5.0
95.04954	53.0
95.08006	4.4
95.08598	85.3
97.06532	16.3
103.05453	3.6
105.06337	4.7
105.07011	77.5
107.04920	4.7
107.08578	55.4
109.06493	20.5
109.10099	7.0
115.05425	8.4
117.07001	29.1
119.08544	31.9
119.76626	2.6
121.06462	15.4
121.10106	16.6
122.07224	3.5
123.08052	27.1
128.06175	5.1
129.06970	7.3
130.07759	19.8
131.08522	11.9
133.06479	6.3
133.10112	17.7
135.08046	28.0
135.11662	14.8
137.05984	2.7
137.09555	8.6
142.07770	3.5
143.08458	12.8
145.10098	85.5
146.10510	3.1
147.08047	11.1
147.11620	5.0
149.09561	8.2
151.06367	3.3
151.07529	47.7
153.09108	3.6
155.08479	3.9
156.09283	2.8
157.10088	9.0
159.08064	7.2
159.11629	8.6
161.09596	6.2
161.13298	3.8
163.07512	6.3
163.11151	68.4
165.09093	17.8
169.10100	3.2
171.11665	7.6
173.09604	6.5
175.11124	5.0
175.14732	3.3
177.09125	6.6
179.07022	4.9
179.08453	3.3
181.10138	3.2
183.11679	5.7
185.13173	3.6
187.11177	3.7
189.12823	13.2
191.14281	2.8
197.13211	3.2
203.14276	11.3
207.13721	6.9
209.15379	4.9
215.14333	3.8
221.15269	27.3
222.15645	3.4
233.15326	3.4
263.16446	7.3
286.19247	5.6
287.16522	4.0
297.21936	2.8
325.21637	10.3
343.22607	100.0
343.26727	5.2
344.22916	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	12.9
57.07058	6.9
61.29408	1.9
62.07853	2.3
67.05494	20.5
69.07058	22.0
71.04991	5.1
71.08612	3.9
79.05495	10.7
79.05856	2.2
81.07043	88.5
81.38707	2.4
83.08589	7.5
85.06515	14.4
91.05473	12.4
93.06503	3.1
93.07028	35.2
95.04950	5.7
95.08591	100.0
97.06521	3.4
97.10138	8.3
98.20718	3.9
105.07021	22.6
107.08579	41.1
109.06528	3.0
109.10146	47.5
110.10461	2.3
111.11707	2.9
113.09603	2.8
117.06968	3.2
119.08571	25.8
121.10123	28.3
123.08038	3.7
123.11692	31.6
125.09637	4.2
129.06941	2.1
131.08539	9.3
133.10098	22.8
135.08038	3.5
135.11671	33.8
137.09592	5.7
137.13226	36.7
139.11128	3.4
143.08478	3.5
145.10114	18.6
147.11668	18.5
149.13217	21.8
151.11163	3.3
151.14774	8.2
153.12730	3.1
157.10007	2.9
159.11684	16.2
161.13257	14.1
163.11169	5.0
163.14810	17.0
165.12662	3.7
165.16331	2.4
171.11615	3.1
173.13187	12.1
175.14806	10.0
177.12721	4.3
177.16385	10.4
179.14427	2.1
185.13246	3.7
187.14799	9.6
189.16374	19.8
191.14304	4.7
191.17918	7.3
201.16356	15.0
203.17862	9.9
205.15874	9.3
205.19418	4.4
207.17392	7.8
213.16267	2.3
215.17944	11.7
217.19424	5.4
219.17374	4.0
227.17903	4.0
229.19423	5.0
233.18956	3.2
240.23090	2.7
241.19519	4.9
255.21112	4.2
259.24075	2.5
269.22467	4.4
285.25613	2.3
323.92526	2.3
325.28864	55.2
343.22769	2.8
343.26221	2.9
343.29871	78.6
344.30249	2.9
363.39932	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	15.0
57.07065	12.5
67.05486	30.4
69.07050	24.3
71.04964	4.6
71.70801	3.7
78.55437	2.3
79.05486	14.5
81.07046	85.9
82.07361	3.9
83.08611	11.9
85.06541	12.4
91.05462	11.5
93.07021	37.8
95.04932	2.8
95.08591	100.0
95.09202	5.1
97.10152	8.2
102.55865	2.5
104.82495	2.4
105.07014	23.9
107.08574	44.8
108.08877	2.5
109.06503	2.8
109.10141	50.1
113.09607	3.4
117.06952	2.4
119.08572	31.9
120.86359	2.5
121.10126	39.8
123.08031	2.2
123.11684	37.2
127.63232	2.3
131.08525	8.4
133.10120	22.5
135.11671	27.0
137.09622	3.7
137.13220	33.6
143.08559	4.7
145.10101	16.7
147.11664	19.5
149.13208	20.1
151.11148	3.7
151.14722	5.2
153.12624	3.0
157.10117	4.8
159.11684	17.5
161.13219	17.2
163.11137	4.1
163.14804	18.2
165.12675	3.8
167.64175	2.4
171.11656	4.4
173.13231	10.9
175.14833	9.5
177.12692	2.7
177.16341	10.4
179.14265	3.1
185.13251	3.0
186.44026	2.5
187.14810	12.7
189.16354	14.3
191.14288	8.3
191.17873	8.1
199.14645	3.4
201.16280	11.1
203.17921	7.7
205.15881	5.2
207.17386	11.6
213.16324	5.3
215.17906	10.8
217.19435	5.4
219.17397	3.7
229.19495	6.2
240.23248	4.1
241.19574	5.3
243.21178	2.7
255.21082	3.1
257.22684	2.7
269.22659	5.2
283.24353	2.4
285.25497	5.1
290.57376	2.7
293.75204	2.6
299.27350	4.2
325.28836	40.0
326.28824	3.5
343.25864	3.7
343.29947	73.1
343.37427	34.6
344.30362	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	344.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.0
61.02905	1.2
64.68751	0.6
65.03932	0.8
69.03423	3.3
70.06565	1.1
71.04991	0.5
71.14608	1.6
73.81380	0.5
77.83665	0.5
81.03403	1.1
85.02892	17.8
86.09687	1.0
91.05470	4.7
97.02885	4.8
109.02878	1.6
110.07166	0.6
119.04925	19.5
120.05230	0.8
123.04409	2.2
127.03899	3.0
145.04924	3.2
147.04385	100.0
148.04712	3.3
164.06934	0.6
165.05455	54.0
166.05774	1.4
180.08698	1.6
182.08121	0.6
326.66562	0.6
330.23187	0.7
336.13943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14031	0.5
53.03925	0.7
55.01847	0.5
57.03420	1.6
61.02906	1.6
64.01998	0.5
65.03926	0.7
67.05480	0.7
69.03420	3.6
70.06579	2.0
70.56001	1.8
71.04961	1.0
72.08128	0.7
73.02914	0.9
73.03294	0.5
80.04987	0.4
81.03394	2.1
83.93338	0.5
84.08132	0.6
85.02894	17.1
86.09682	1.9
86.55917	0.5
87.04446	0.5
91.05476	5.8
95.04982	0.9
97.02879	4.2
99.04446	0.8
101.32856	0.5
104.16143	0.5
109.02879	1.6
109.06454	0.8
116.07056	1.6
119.04931	18.8
120.05246	0.6
123.04388	2.2
127.03899	3.5
134.99535	0.6
136.06152	0.5
136.07597	0.5
137.05946	1.8
145.04942	2.3
147.04387	100.0
148.04720	2.7
153.05492	0.6
164.07033	0.9
165.05460	46.7
166.05821	1.6
180.08696	1.5
182.08109	1.4
183.06631	0.6
189.23286	0.5
299.10428	0.7
337.07254	0.6
344.13483	0.8
344.19812	0.6
345.11322	0.8
345.15622	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.9
54.51815	2.4
55.01867	3.7
55.05504	8.1
57.03421	9.7
60.34299	3.1
65.35657	2.7
67.05495	28.8
69.03408	2.8
69.07056	24.1
70.62140	6.9
71.04979	9.0
73.02911	3.4
79.05487	20.4
81.03416	15.1
81.07036	18.8
83.04956	5.5
83.08607	5.0
86.95863	2.8
91.05470	15.8
93.07039	14.7
95.04959	19.7
95.08596	11.7
97.06519	100.0
98.20703	3.0
99.08083	3.5
105.07017	15.0
107.08582	7.0
109.06506	9.4
109.10147	9.4
111.07996	3.1
115.07581	21.9
116.10670	2.5
117.07008	6.4
119.08551	7.2
121.06498	3.7
121.10126	7.0
123.08062	2.8
129.06941	2.9
131.08554	9.7
133.10114	8.1
135.08028	5.2
135.11723	3.2
145.10126	4.4
149.13205	4.6
157.10204	2.9
159.07907	3.0
159.11694	5.0
177.12721	5.9
195.13858	4.1
223.13332	5.7
231.89923	2.6
273.18539	3.2
291.19650	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	344.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28888	6.8
55.01865	9.6
55.05487	26.2
56.05016	9.3
57.07058	30.3
67.05486	39.6
69.07050	22.1
70.06552	7.8
70.23519	28.5
71.08612	22.0
74.06055	29.4
79.05486	31.4
81.07043	54.4
83.04979	9.3
83.08598	15.7
88.07623	64.6
91.05453	30.5
93.07047	51.3
95.04942	12.1
95.08572	31.3
98.20805	12.5
99.08082	14.6
100.11197	16.1
105.07030	11.2
106.08645	10.2
106.90081	8.1
107.08533	18.2
109.10123	20.0
119.08547	18.7
121.10111	20.2
123.08054	9.5
133.10097	17.0
139.11145	26.1
145.10107	12.9
147.11678	12.8
153.41414	7.3
159.11693	12.5
161.13264	12.6
177.12766	9.1
239.00815	9.1
277.21646	17.8
298.31009	14.9
344.31500	100.0
344.35236	38.6
348.68204	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	344.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.01865	3.3
55.05505	56.4
59.05014	2.3
60.04499	2.6
67.05500	24.3
69.03414	7.2
69.07056	14.0
71.08616	9.0
71.71717	3.1
76.02091	2.3
79.05490	22.6
81.07056	20.2
83.04959	3.8
83.08598	32.6
91.05449	5.0
91.54978	2.8
92.17748	2.3
93.07024	13.7
95.04956	4.2
95.08585	9.1
97.10155	75.5
99.08076	9.3
105.06995	2.5
107.08576	35.5
109.06561	2.1
109.10117	8.1
111.08071	3.4
117.06982	5.3
119.08569	5.5
121.10143	4.2
123.11705	3.1
125.09615	72.6
126.09972	3.3
126.12810	3.0
133.10135	3.1
135.08058	18.6
135.11661	4.7
143.08537	2.4
145.10066	2.7
147.11674	3.9
149.13214	3.9
151.11177	4.4
153.09111	16.9
157.12210	6.4
161.13208	3.3
163.14735	2.7
171.10179	4.0
175.14700	2.9
193.15958	2.9
203.12759	100.0
204.13141	4.4
225.18500	3.7
241.19519	3.3
259.20575	3.3
277.21603	37.9
278.22009	2.6
291.23257	6.7
309.24310	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1177
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
55.01863	16.2
55.05502	37.3
69.03423	51.2
70.06578	13.8
70.84399	21.9
71.01309	6.2
71.04984	10.8
72.08147	16.9
73.02911	11.3
73.06548	84.7
74.93092	5.5
79.05479	23.6
81.03400	26.8
81.07049	33.2
84.04519	7.2
84.08102	9.0
85.02893	42.8
86.09698	17.0
87.04427	7.0
91.05491	29.5
93.07016	6.6
95.04956	19.2
95.08584	7.3
97.02863	19.5
99.04425	10.0
101.05999	79.3
107.04933	12.0
109.02879	14.2
109.06501	56.1
119.04931	20.1
119.08488	7.1
121.06433	8.3
123.04382	13.8
127.03889	15.2
135.04291	6.8
136.07518	7.0
137.05956	89.0
147.04395	32.6
148.04706	25.6
149.05951	10.3
151.07515	6.7
165.05450	82.4
166.05991	7.2
167.06984	9.8
183.04997	8.5
183.06517	100.0
184.09639	6.2
186.02119	6.0
273.06122	7.0
345.11450	20.3
345.15295	31.1
356.14648	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	345.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84128	0.6
53.03946	1.1
53.53693	0.7
54.51215	0.7
55.01863	0.9
55.05239	0.9
55.05504	18.5
58.99577	4.7
67.05484	1.7
67.22709	0.6
68.05009	1.0
69.03426	1.3
70.06573	0.9
71.70307	1.3
76.03995	1.0
79.05459	1.8
80.05003	15.6
81.07042	3.5
83.08606	16.3
84.04495	5.0
85.02864	1.1
86.06054	1.5
86.99036	2.9
88.02174	1.3
91.05456	2.1
93.07037	1.6
95.08591	2.2
96.04476	2.0
97.01105	0.7
97.02847	0.6
98.06064	0.9
103.05444	0.8
105.06998	1.7
107.08575	1.9
108.04477	3.9
109.06474	1.0
109.10109	1.5
111.43473	0.8
114.03736	14.2
116.01661	17.8
118.09467	0.8
119.08566	2.3
121.10097	0.9
123.08047	0.8
123.11700	0.9
125.09627	0.9
129.07263	0.9
133.10162	1.1
136.03899	3.5
137.05952	3.0
137.09612	0.8
139.05742	1.6
142.03200	100.0
143.03488	1.4
143.08440	0.9
144.01117	4.7
144.04782	0.8
147.08032	1.0
147.11603	1.0
159.08371	15.9
159.11676	0.7
161.09561	0.8
162.02176	16.9
170.02684	32.7
199.05266	5.0
211.07175	1.3
227.04951	4.7
242.12051	3.5
245.05873	14.9
252.10440	0.9
257.90506	0.6
262.11133	5.4
263.88327	0.7
265.73746	0.6
270.11554	1.9
313.10703	1.3
345.13531	1.4
359.50388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33054	0.5
53.03924	0.9
55.01842	0.9
55.05243	1.0
55.05503	17.4
57.02642	0.5
58.99562	5.2
59.72342	0.6
61.01138	1.0
67.05489	2.5
67.89111	0.6
68.05003	1.6
69.03416	3.9
69.07035	0.7
70.06561	0.7
71.04968	1.6
71.70103	0.7
73.01112	0.7
76.03983	1.2
79.05470	2.2
80.05003	14.8
81.03384	1.3
81.07046	3.5
83.08603	10.7
84.04516	3.6
85.02869	1.1
86.06056	1.3
86.99026	2.8
88.02190	1.3
91.05460	1.9
93.07030	2.8
95.04949	0.7
95.08598	2.8
96.04471	1.8
97.01102	0.6
97.02843	0.8
97.06517	0.9
99.02663	0.7
99.08086	0.6
99.74724	0.6
105.07018	1.8
107.04932	0.9
107.08569	1.7
108.04431	3.5
109.06498	0.8
111.04380	0.6
111.08033	0.5
114.03735	16.3
115.05800	0.6
116.01660	14.1
117.07036	0.9
117.17550	0.5
118.13753	0.5
119.08576	2.0
121.10147	0.9
123.08014	1.2
131.08545	1.0
133.10109	0.7
136.03928	2.6
137.05956	2.1
137.09589	1.7
139.05737	2.4
142.03195	100.0
143.03517	1.7
143.08553	0.8
144.01131	5.2
144.04778	0.8
145.10109	1.1
146.22098	0.6
147.04428	0.7
147.11700	0.6
153.05360	0.7
159.08359	10.9
160.36914	0.5
161.06117	0.7
162.02167	15.0
165.09073	1.0
170.02682	33.3
171.02940	0.9
199.05351	6.0
199.67342	0.5
224.11055	0.8
227.04762	5.2
242.12094	1.9
245.05879	14.8
245.13031	0.8
256.29449	0.6
262.11047	4.6
270.11569	1.3
299.10031	0.9
313.10742	0.8
341.13916	0.6
345.10599	1.0
345.20572	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	2.1
51.20225	2.2
53.03938	4.2
55.01864	5.2
55.05496	16.8
55.14787	2.3
57.03427	34.0
58.03796	2.6
65.03896	3.5
67.05497	42.4
69.03419	13.8
69.07062	11.6
70.06594	10.8
71.04978	11.8
71.69733	4.3
72.08130	3.7
73.02889	2.8
79.05481	37.4
81.03390	5.8
81.06603	3.2
81.07047	39.5
83.04968	5.0
83.08604	7.1
84.04489	3.0
84.08125	4.3
85.02894	9.9
85.06517	22.2
86.09687	12.8
91.05465	28.8
93.07030	82.0
94.07362	2.4
95.04945	7.8
95.08595	97.9
96.08902	2.1
96.36867	2.6
97.02866	3.8
97.06524	11.3
98.05824	2.2
99.04411	2.4
103.05419	3.5
105.07018	14.9
107.04947	4.4
107.08586	48.9
109.06482	7.5
109.10145	16.2
111.08047	20.0
116.07060	2.9
117.07002	3.0
119.08567	19.1
121.06474	5.2
121.10123	32.7
122.03659	3.5
122.06027	3.2
123.08046	14.5
123.11668	7.2
125.05943	2.8
125.09579	6.3
128.48300	2.3
129.06958	2.6
129.72267	2.0
131.04909	4.0
131.08536	5.2
133.10121	3.4
135.11647	8.3
136.07553	5.5
137.05966	54.5
137.09575	8.8
138.06281	3.5
141.07025	2.8
145.10104	6.0
146.11737	6.4
147.08023	5.3
147.11703	10.5
149.13239	100.0
150.13573	4.6
151.07526	5.8
153.12714	5.1
157.10101	2.2
159.09105	2.6
159.11664	2.9
161.05917	2.5
163.11177	2.6
164.07027	3.1
165.05484	2.7
165.06914	2.7
165.09090	9.0
165.12775	4.2
167.07016	5.6
167.14322	12.5
172.03963	2.7
179.08540	2.6
181.06432	3.6
183.10162	5.6
183.13780	6.4
184.13396	2.5
187.10980	2.7
187.14413	2.8
191.07040	5.0
201.11217	4.5
204.06392	3.9
207.08098	3.2
223.07462	2.7
225.09000	3.3
234.06613	2.6
235.07565	4.5
265.08325	2.8
273.18448	5.1
282.11496	3.2
291.19476	3.8
295.09506	3.4
300.12186	6.5
309.20755	4.4
323.94446	2.3
327.12549	2.7
345.14325	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	345.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55129	3.1
55.01857	7.8
55.05512	21.7
57.03407	5.8
57.07055	8.0
59.04978	4.7
62.78183	2.9
65.03921	3.8
67.05190	3.3
67.05498	40.5
68.99771	11.9
69.03423	19.6
69.07057	39.7
70.06564	3.8
71.04986	14.5
71.05303	3.1
71.08603	6.7
71.69972	3.7
72.08137	3.6
73.02905	3.2
74.06056	9.8
74.69595	2.7
75.06397	3.3
79.05478	29.1
81.03397	10.2
81.07043	100.0
82.07375	3.6
83.04967	8.4
83.08607	16.4
85.02867	12.5
85.06528	18.1
86.09686	7.2
91.05462	26.5
92.07100	8.9
93.07011	50.3
93.07558	3.5
95.04977	15.7
95.08586	77.9
97.02863	4.6
97.06529	17.6
97.10149	6.2
99.04420	5.1
99.08063	10.2
103.05421	4.3
105.07004	33.5
107.04942	10.7
107.08566	37.8
109.02843	7.9
109.06471	6.4
109.10128	50.4
111.04391	3.1
111.08043	14.4
111.11691	5.8
117.06976	5.7
118.62685	3.9
119.04929	4.8
119.08572	22.4
121.06497	5.2
121.10139	25.4
123.04402	6.2
123.08041	10.5
123.11684	30.8
125.09571	5.2
127.07485	3.5
129.06976	6.6
131.04897	11.4
131.08522	13.6
133.10089	14.2
135.04384	8.2
135.08005	6.5
135.11707	15.5
137.02347	7.4
137.05927	23.0
137.09541	10.2
137.13249	18.6
141.06866	4.3
142.07739	3.8
143.08530	9.8
145.06438	4.3
145.10112	12.7
147.04422	3.9
147.07999	6.3
147.11653	12.2
149.06009	4.5
149.13229	15.7
151.03900	9.7
151.07498	13.4
151.14784	3.0
151.38168	3.2
153.05489	3.4
153.06905	5.0
153.12659	3.3
155.08513	5.9
157.10075	11.3
159.08031	7.1
159.11705	8.2
161.05945	6.3
161.09550	3.5
161.13148	9.3
163.03896	3.9
163.07474	5.3
163.11142	3.3
163.14803	8.8
165.05475	4.2
165.09108	9.2
165.12718	5.5
167.06999	11.6
167.08345	3.7
169.10097	7.4
171.11787	6.4
173.05960	4.1
173.09648	4.8
173.13126	6.5
175.07527	6.6
176.04768	3.2
177.05496	3.0
177.16380	4.4
178.07866	3.9
179.03387	13.1
179.17886	3.8
181.10051	4.9
183.11717	6.6
185.09483	3.3
191.06949	16.8
197.13199	3.7
199.11124	3.9
199.14706	5.2
201.09003	5.9
202.03123	3.3
205.19450	4.9
207.08046	4.6
211.14749	3.6
213.12808	4.1
215.14558	3.5
225.10236	9.8
225.16267	3.3
235.20694	3.6
249.16289	3.3
253.09612	9.7
263.12839	4.2
266.05893	3.4
267.10162	3.7
273.25571	3.3
279.26959	4.1
285.07275	3.3
291.26917	10.4
295.09561	8.7
299.09933	7.5
313.03363	3.1
313.10684	15.7
327.09402	22.6
327.15817	4.1
327.19556	7.6
327.23419	3.4
327.27072	7.1
328.24445	3.3
329.06400	5.7
345.10355	53.4
345.20789	17.4
345.24530	6.3
346.11008	8.7
346.16995	3.3
346.21017	4.0
356.70697	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	346.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01491	0.3
53.03939	0.9
55.01874	0.9
55.05501	0.3
56.96556	3.8
57.03428	1.1
61.02917	1.6
65.03942	1.1
67.05502	1.4
69.03422	5.6
70.06593	1.7
71.01331	0.4
71.04988	0.8
71.69899	0.5
71.70313	0.4
72.08151	1.3
73.02917	1.4
79.05486	2.8
80.58569	0.3
81.03406	3.7
81.07059	1.1
82.03753	0.3
83.04973	0.9
84.04517	0.5
84.08145	1.1
84.96034	1.2
85.02893	6.7
86.09705	0.4
87.04468	0.9
87.05548	0.3
88.03974	0.7
91.03959	0.6
91.05450	2.7
92.05013	0.7
93.07013	0.6
94.06543	0.3
95.04949	2.1
97.02874	3.1
98.06090	0.3
98.97572	3.1
99.04447	0.6
102.05553	0.4
107.04944	1.3
108.04517	0.3
108.05330	0.3
108.08109	0.6
109.02877	0.9
109.06493	0.6
110.06030	0.7
110.09676	0.5
110.97565	1.3
111.04427	1.2
112.08722	0.4
115.03893	0.3
116.07102	0.4
116.98601	2.6
117.99065	0.4
119.01874	1.7
119.04945	0.7
120.04467	0.9
121.06506	0.4
122.06027	0.6
123.04415	2.3
123.05263	0.3
123.06808	0.4
124.04780	0.5
124.07599	0.5
126.05510	0.5
127.03905	1.5
127.04934	0.5
128.98575	1.7
129.05464	0.8
131.01909	0.8
133.03430	0.5
134.06004	0.8
134.99646	1.3
135.04413	0.8
136.07565	2.0
137.05965	1.0
137.08339	2.6
138.05473	3.8
138.09093	0.8
143.00136	0.5
143.01913	0.8
145.03456	0.6
145.04900	0.9
146.99632	1.4
147.01384	0.4
147.04338	0.9
148.03914	46.9
148.07515	2.6
149.02985	0.7
149.04250	1.2
149.05940	0.7
150.05515	0.5
152.05769	0.4
152.07063	1.1
157.03445	0.5
158.99652	1.4
161.01244	0.7
161.02945	1.2
163.04440	0.4
165.00755	0.4
165.05481	0.8
166.04974	96.9
166.08612	9.2
167.05348	2.3
167.06747	0.4
168.06512	0.5
169.03430	0.4
170.99670	0.9
171.02966	0.4
173.01251	0.8
173.02927	0.8
174.99097	0.9
175.00697	0.3
177.00691	2.2
183.04979	0.4
183.06511	0.8
184.06029	100.0
185.01212	0.7
185.06349	2.1
189.00661	0.9
191.03944	0.5
197.01208	0.5
201.02159	0.7
201.04160	0.6
203.04083	0.4
209.01250	0.4
213.00658	0.5
219.01524	2.2
221.04970	0.6
225.05946	0.4
227.02132	0.6
234.56512	0.5
237.00632	0.7
237.02753	2.4
248.99103	0.4
255.01686	1.1
256.06940	0.4
273.02753	0.8
285.61813	0.3
287.02228	0.4
328.10144	0.4
329.05667	0.5
345.05869	1.0
346.11115	2.8
346.14847	10.5
347.06360	2.0
349.46918	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
53.79717	1.7
55.01867	4.2
55.69044	1.5
56.04991	1.5
57.03426	7.4
61.02926	10.5
61.48870	1.5
62.50963	1.6
65.41468	1.8
65.70432	1.5
69.03419	19.4
69.07066	3.2
70.06573	4.5
71.04977	5.0
71.70565	2.3
71.70956	2.5
72.08149	7.8
73.02901	4.8
74.06071	3.0
79.05484	3.8
81.03393	9.0
81.07083	1.7
84.04491	6.1
84.08129	4.6
85.02895	100.0
86.09695	48.5
86.10205	3.4
88.04009	2.4
91.03936	5.8
91.05473	4.7
93.07033	1.9
97.02878	27.8
99.04432	3.9
102.05531	2.2
103.05451	9.0
105.36908	1.6
107.04968	2.4
109.02873	10.8
120.08122	2.0
121.06490	79.2
124.07622	2.0
127.03907	23.5
130.05025	1.7
131.04924	2.6
137.05920	2.0
138.09154	2.7
139.07562	2.3
140.01563	1.7
142.68672	1.6
143.08463	1.7
144.06519	2.7
145.04935	37.3
149.05980	4.7
157.13361	5.5
162.07614	6.2
163.06000	7.3
167.07047	9.5
180.08673	1.9
184.09615	2.8
199.18056	7.1
215.14059	2.4
227.17497	2.4
233.14638	1.7
234.45625	1.7
247.84756	1.6
300.10876	3.3
302.11465	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	7.0
57.03421	7.4
59.25962	2.8
61.02916	10.7
69.03420	19.8
69.07053	7.5
69.98779	19.0
70.06583	10.4
71.04978	4.1
72.08144	8.7
73.02893	6.0
73.28797	2.7
79.05492	4.7
81.03415	10.8
81.07041	4.2
84.04477	6.1
84.08089	4.7
84.71362	2.8
85.02898	88.7
86.09696	100.0
86.75108	2.9
87.04476	3.3
88.77672	2.7
91.03917	2.9
91.05447	4.8
91.52204	2.9
95.04969	4.5
97.02877	33.8
101.04813	2.8
102.05603	3.2
103.05478	3.8
105.07031	2.7
107.04938	54.4
109.02879	8.3
109.06544	4.2
109.10159	2.9
119.04877	4.0
121.06520	9.5
123.07974	3.3
127.03899	21.7
137.06001	6.4
138.09143	3.3
145.04916	25.4
147.04388	7.4
149.05956	22.1
163.06064	4.2
165.05484	3.1
165.09131	3.4
166.08618	8.1
167.07059	14.6
173.06046	6.1
180.08684	7.2
182.08148	4.1
182.39868	2.9
187.37566	3.0
199.18011	32.5
215.07074	6.0
215.13980	4.1
227.17563	10.1
232.99681	4.0
233.08298	2.8
250.98111	2.7
272.10291	2.9
300.12320	4.9
301.12537	17.7
306.42322	3.0
328.13202	2.9
329.11511	2.8
346.15338	4.6
347.12997	26.0
347.16241	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	346.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	24.4
57.03408	13.1
63.04012	4.3
67.05490	69.2
69.07046	29.0
71.04977	9.8
71.70749	9.6
79.05460	16.9
79.49843	4.2
81.03388	5.4
81.07034	34.8
83.04976	9.5
83.08598	19.2
86.49741	4.2
91.05480	21.4
93.07041	22.2
95.04960	9.0
95.08614	20.7
97.06522	53.4
97.10141	17.7
105.07008	18.0
107.08589	27.3
109.10131	58.2
111.08052	5.7
117.06953	5.4
119.08589	21.6
121.10149	12.5
125.09560	15.6
131.08597	9.7
133.10103	12.4
135.07997	5.1
135.11644	5.6
137.05945	15.1
137.09505	5.7
142.07799	5.3
145.10168	6.1
147.04414	4.7
155.10641	20.8
159.11711	7.0
161.05862	9.1
161.13206	4.8
173.11719	100.0
173.13127	8.3
183.62674	5.4
189.11221	11.7
208.29308	4.9
215.10822	5.9
229.12204	4.8
233.11620	32.6
274.09714	8.2
275.19983	15.5
301.07068	32.0
303.20493	4.5
311.16321	5.5
329.17529	24.3
347.18433	6.7
355.53607	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	347.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01875	0.9
55.05497	1.6
65.03936	1.4
67.01860	3.9
67.05497	2.0
68.99776	1.5
69.03419	0.9
69.07049	1.0
69.52401	1.6
69.52800	6.3
71.04967	0.8
77.03933	0.7
79.01838	1.0
79.05473	2.8
79.91265	0.8
81.07051	1.6
83.04971	0.8
90.04671	1.1
91.05467	6.5
92.02589	0.9
93.03394	0.8
93.07034	1.4
95.04951	2.4
95.08599	1.8
97.06524	1.9
101.31927	0.7
105.07016	1.8
107.04939	7.2
107.08549	1.6
108.05706	5.5
109.02892	0.7
109.06480	2.2
109.10138	1.1
110.03664	1.2
111.04420	2.8
119.04911	4.8
119.08513	1.1
121.06453	1.7
121.10149	0.9
123.08071	2.0
124.05191	4.4
125.02332	2.0
125.05978	5.8
129.06985	0.8
131.08560	1.6
133.10127	1.4
135.04388	15.0
135.08003	0.7
136.05182	5.0
136.07510	0.8
137.05969	9.7
139.07489	5.1
141.05464	3.4
141.06476	0.6
143.08470	1.1
147.04387	4.9
147.11708	1.1
148.01512	1.4
148.05180	1.9
149.02295	2.9
149.05943	1.4
149.69067	0.8
151.07515	98.1
152.07866	2.9
153.05443	6.8
157.10088	1.6
159.11653	1.1
160.01511	0.8
161.13197	0.9
163.03883	36.8
163.07515	3.1
164.04669	8.5
165.05455	1.5
166.02705	0.8
167.03372	100.0
167.07069	2.7
168.03856	2.4
169.10071	0.7
175.03853	5.6
175.07475	1.6
176.04591	1.2
178.02600	0.8
179.06992	8.4
181.04926	11.1
182.33995	0.7
185.04398	4.3
189.09125	0.8
192.04117	2.5
193.04886	4.8
194.02155	0.9
196.66548	0.7
197.06058	0.7
198.06752	1.0
199.07410	0.9
203.06966	0.9
207.04472	0.9
207.06485	29.3
209.04410	50.8
210.04762	2.4
211.07452	2.6
213.09109	0.8
215.06888	1.0
227.06964	2.7
229.08649	3.5
231.06448	2.7
233.11685	0.9
241.08484	4.2
242.09303	1.0
243.06284	1.4
255.06432	6.2
257.08011	1.2
258.08710	1.2
267.06470	1.3
270.08899	7.2
271.05978	1.1
273.11169	29.8
274.11407	1.5
285.07422	1.7
286.08246	2.0
287.08823	0.7
300.09857	1.6
301.10651	41.9
302.10983	2.7
309.03812	0.7
313.07068	1.4
329.10110	10.6
347.07147	1.4
347.08414	1.7
347.11484	8.2
347.22388	1.2
347.27036	1.8
353.41736	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.112
Annotation	5,2'-Dihydroxy-6,7,6'-trimethoxyflavanone
Peak:m/z	Relative Intensity
50.08644	0.2
53.03947	0.3
55.01869	0.5
55.05509	0.5
57.03431	0.9
65.03915	0.4
67.05489	1.4
68.99767	1.6
69.03418	15.4
69.07066	1.1
69.52661	2.0
71.04997	0.3
73.69305	0.2
79.05486	1.2
81.03400	0.7
81.07047	1.4
83.04974	1.0
83.08618	0.4
85.02908	0.4
85.06541	0.3
89.03912	0.4
91.05464	1.4
92.18067	0.2
93.03398	0.3
93.07035	0.9
94.71641	0.2
95.04967	0.7
95.08588	1.0
97.06514	4.8
97.07101	0.4
105.03411	0.3
105.07014	0.9
107.04930	0.3
107.08595	0.7
109.02876	1.0
109.06478	0.6
109.10133	0.8
111.04411	1.4
111.97612	0.2
117.03394	0.3
117.06993	0.3
119.08559	0.7
121.06501	0.4
121.10120	0.6
123.04467	0.3
123.08048	0.3
123.11732	0.3
128.06125	0.2
129.06960	0.5
131.04897	0.3
131.08557	0.7
133.10107	0.5
135.04396	0.5
135.11647	0.2
136.07541	1.1
137.02293	2.6
137.05954	2.9
143.08578	0.4
145.10120	0.6
147.04417	0.4
147.11626	0.4
147.17661	0.2
149.05946	0.7
149.09554	0.4
149.13229	0.4
151.03893	1.1
151.07506	0.8
153.05421	0.3
155.03360	1.1
155.08495	0.3
156.09254	0.3
157.10077	0.5
159.11700	0.4
159.53648	0.2
161.02293	0.6
161.05934	0.7
163.03928	0.6
164.07008	0.6
171.11755	0.3
173.06097	0.3
173.09636	0.2
175.07550	0.3
177.05443	2.6
179.03365	100.0
180.03703	3.9
185.09688	0.3
187.07498	0.3
189.09117	0.4
197.04420	67.1
198.04759	2.0
201.08992	0.3
205.04927	1.3
213.09273	0.3
215.10609	0.5
229.12274	0.4
229.65184	0.3
233.11664	3.2
241.08508	0.2
259.09631	0.3
273.18503	0.3
274.09537	0.7
279.06647	0.3
285.14911	0.6
287.09201	1.1
287.12207	0.3
303.15918	0.4
311.08881	0.5
312.50861	0.2
329.10147	17.2
329.16827	1.8
329.20972	0.4
330.10406	1.4
330.13766	0.2
347.07535	0.4
347.11292	3.2
347.18393	0.6
347.22162	0.4
348.11288	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1231
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
53.03939	1.7
53.46371	0.7
55.01862	5.1
55.05494	2.6
56.96560	6.1
57.03410	2.6
65.03928	1.1
67.05480	2.7
69.03403	1.8
69.07052	1.9
71.04978	10.1
71.70263	1.4
79.05476	3.1
81.03391	2.6
81.07028	3.3
83.04979	4.3
84.08101	0.9
84.96037	1.8
85.02891	12.3
85.06531	1.1
89.03898	2.6
91.05463	3.8
93.07024	3.7
95.04944	3.0
95.08585	1.9
97.02888	5.0
97.06499	1.0
98.97556	3.8
99.08064	0.9
105.07007	2.1
107.04916	1.9
107.08578	1.5
109.02892	1.5
109.06496	1.0
109.10166	1.6
111.04393	0.9
116.98595	3.9
117.03354	1.5
117.07040	0.9
119.04922	1.4
119.08535	1.8
121.06533	1.3
121.10120	2.3
122.06011	1.5
123.04411	1.4
123.11655	1.0
124.07565	3.5
126.05501	0.9
127.03863	1.0
128.98555	0.8
129.05473	2.4
131.08521	1.3
133.10153	1.3
134.05995	2.0
135.04382	6.1
136.07553	25.6
137.05984	2.1
139.11092	1.2
143.08485	1.6
145.02817	3.6
145.06445	0.8
145.10083	0.8
147.04398	2.4
147.11731	1.1
151.73825	0.9
152.03465	1.3
152.07076	5.6
153.05408	1.0
155.08482	1.1
157.10138	0.9
158.01222	0.9
158.32971	0.8
158.99562	1.1
159.11592	1.0
160.05173	0.8
162.05496	1.7
163.03883	17.1
164.04219	1.5
164.07048	23.8
165.09102	1.0
167.07217	1.3
170.08266	1.1
172.07480	1.3
173.01265	0.9
177.00687	1.4
178.04941	2.9
181.08508	0.9
182.09581	1.0
183.09052	1.1
184.00375	1.2
184.07573	0.9
185.07123	3.5
187.04980	1.9
189.00711	1.0
196.07761	0.8
197.07199	1.3
199.08615	6.8
201.00623	0.9
201.06567	5.0
201.10257	1.1
205.06001	1.1
209.01189	1.3
209.07211	1.2
210.09111	1.6
211.02776	1.7
211.08810	1.7
212.09203	0.9
213.00560	1.0
213.06619	7.9
213.10098	4.2
219.01611	1.5
219.07622	1.5
224.09135	2.2
225.00764	0.8
225.06667	1.1
226.07240	0.9
227.02216	3.0
227.08136	7.4
227.11719	2.8
229.09761	4.0
231.07697	3.9
237.00725	1.7
237.02927	0.9
237.10260	3.3
238.08638	2.0
239.11775	1.1
241.09692	6.7
243.11205	1.1
245.05818	1.0
245.09116	2.4
251.02356	0.9
251.07999	1.2
255.01791	6.6
255.07629	11.4
255.11226	6.8
257.09164	2.2
257.12866	1.6
259.10748	1.1
265.09662	3.6
266.07907	1.3
267.07620	2.1
269.03403	1.1
269.09155	9.5
273.02734	5.7
273.08701	6.6
273.11475	1.2
275.10162	0.8
283.10730	21.8
287.10291	4.0
287.13736	1.8
293.09250	5.8
301.11746	5.2
303.13370	0.8
311.10211	40.4
312.10583	2.4
319.12790	2.2
329.11264	77.7
330.11520	5.9
347.12338	100.0
347.16104	3.6
348.12708	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	347.1328
Annotation	Decaloside
Peak:m/z	Relative Intensity
53.03932	1.8
55.01849	2.6
66.53011	1.0
68.28425	1.0
69.03419	1.5
70.06575	1.2
71.70335	1.6
71.70695	1.2
79.05494	7.5
79.88178	1.0
81.03419	2.7
83.04961	1.3
84.04438	1.0
85.02879	3.2
86.09665	1.5
91.05475	7.4
93.07025	12.5
95.04951	7.7
97.02890	2.1
97.06487	2.6
103.05459	3.5
104.20744	1.1
105.04529	1.5
107.04921	4.8
109.02777	1.0
109.06463	1.4
121.06490	40.3
122.06769	1.7
125.05972	1.8
129.85747	1.2
131.04849	2.4
134.03647	1.3
136.06175	1.7
137.06053	1.2
139.07562	1.8
149.05960	100.0
150.06262	3.7
167.07021	32.4
168.07376	1.2
275.30600	1.1
329.10684	1.4
347.12912	5.4
347.16641	2.8
348.13962	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1694
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
50.42884	3.1
53.03933	5.5
54.44034	2.9
55.01856	3.1
55.05489	9.5
57.03431	7.5
57.07070	3.0
61.02929	3.5
67.05476	14.1
69.03420	6.0
69.07052	3.3
70.28910	9.3
70.29312	7.7
70.40576	3.0
71.04942	4.0
75.04468	12.3
79.05480	17.0
81.03408	34.6
81.07048	21.4
83.04957	6.8
83.08595	8.2
85.02882	27.2
91.05467	26.3
93.06431	4.6
93.07030	92.2
94.07317	3.4
95.04957	17.7
95.08587	11.2
97.02867	5.4
97.06490	3.8
98.20830	4.4
98.98447	11.8
105.06998	14.5
107.08577	11.5
109.02859	3.6
109.06446	3.6
109.10126	7.4
111.08038	14.6
119.08540	8.7
121.10130	100.0
123.08036	7.2
123.11692	5.3
127.03900	4.1
129.06950	5.5
131.08543	7.3
133.10080	6.9
136.07512	4.8
139.11191	16.4
141.48398	3.1
143.43506	3.1
144.02791	3.6
145.04916	5.0
145.10057	7.3
149.09602	10.9
155.01015	17.3
164.07062	4.0
167.10643	19.8
173.13231	4.6
186.63271	3.1
193.12207	27.3
203.64160	3.6
259.10962	4.0
311.10141	7.7
329.11319	12.3
347.12076	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	347.1695
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01858	4.1
55.05487	4.1
55.98256	2.8
57.03421	4.3
58.29607	3.1
62.63175	2.9
67.05486	8.7
68.83051	2.3
69.03419	4.6
69.07059	3.6
70.65146	9.6
79.05483	7.9
81.03418	5.2
81.07049	45.7
83.05006	2.9
84.08160	3.6
85.02898	10.6
89.49304	2.8
91.05459	5.5
92.04997	9.8
93.07045	21.1
95.04907	3.6
95.08614	8.5
96.04446	4.4
97.02873	3.5
97.06458	2.8
105.07013	2.8
107.04912	2.9
107.08593	3.2
109.06519	3.1
109.10143	7.0
119.08520	3.4
120.04494	4.2
121.10120	28.7
123.11671	6.0
125.05954	6.5
129.10219	3.5
131.08499	3.3
137.05957	4.7
138.05484	9.6
139.11172	10.9
142.77570	2.5
149.09529	5.2
164.07060	9.1
166.04979	7.4
167.10640	8.0
182.08203	5.7
185.11710	100.0
198.09120	8.3
199.08720	5.1
208.06125	3.3
212.10655	4.0
213.06511	4.0
213.10243	6.1
226.08609	10.0
227.08081	3.3
227.11937	3.1
228.12305	2.7
230.31038	3.0
233.65059	2.7
241.09746	17.5
255.11237	6.1
268.09662	8.4
269.09286	5.5
283.10773	4.2
284.09174	4.3
286.10858	5.0
287.10159	11.6
301.11774	11.6
311.10083	5.0
319.12787	3.4
320.03891	2.7
329.11185	8.6
347.12375	68.3
347.16635	5.6
348.12686	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	347.1697
Annotation	Rehmapicroside
Peak:m/z	Relative Intensity
55.01849	6.1
56.92712	6.7
57.03409	8.8
67.05493	23.9
69.03439	18.6
69.07064	10.4
69.44407	23.8
69.44830	35.5
71.05009	13.6
75.04459	14.8
79.05489	17.6
81.07045	36.3
83.08601	12.7
85.02896	23.8
85.06539	17.7
91.05464	20.0
93.07029	76.2
95.04921	6.1
95.08599	23.5
97.02882	10.9
105.07040	16.0
107.08591	18.9
109.10163	21.3
111.04445	7.3
111.08054	29.4
121.10136	68.2
123.08066	13.4
133.10123	12.0
136.06183	9.6
137.05948	6.6
137.09528	7.3
149.09608	13.5
149.13217	14.8
151.07426	6.6
167.10674	64.9
167.14307	6.7
185.11725	100.0
185.15295	31.4
294.99094	7.8
311.56210	6.1
347.12177	12.4
347.16187	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	347.1847
Annotation	Maoecrystal C
Peak:m/z	Relative Intensity
53.03940	3.5
55.01862	8.6
55.05497	8.1
56.13396	1.8
56.96551	4.9
57.03427	26.0
58.23041	1.7
67.05489	16.1
69.03414	4.5
69.07058	17.6
70.49452	8.3
71.04977	26.4
79.05476	24.4
81.03389	7.5
81.07039	12.0
83.04964	6.9
83.08610	4.1
85.02892	30.4
87.04464	2.1
91.05463	26.8
93.07018	12.9
95.04419	2.2
95.04917	11.1
95.08585	10.2
97.06510	100.0
97.10171	2.2
98.06809	3.6
98.67693	1.8
98.97576	8.9
99.08076	3.6
105.06996	12.0
107.04958	4.0
107.08600	8.7
109.02869	2.2
109.06495	5.0
109.10146	3.9
110.06085	2.3
111.04411	1.8
115.05424	4.1
116.98614	4.6
117.07007	8.4
119.04939	5.7
119.08546	11.6
121.06470	5.1
121.10132	7.0
123.04443	4.9
128.06172	3.5
129.05515	4.1
129.06998	6.3
131.04909	3.5
131.08539	8.1
133.06459	5.5
133.10106	7.4
134.99637	3.6
135.08075	3.8
135.11613	3.5
137.05954	44.3
141.06941	4.3
142.07724	2.4
143.04875	2.5
143.08575	3.3
144.05702	2.5
145.06505	6.5
145.10101	5.0
146.99609	2.3
147.04388	3.6
147.08025	5.2
147.11690	2.7
149.05960	3.8
149.09605	2.7
153.06993	2.4
155.08499	3.5
157.06473	6.8
157.10095	6.2
158.99632	4.7
159.04407	2.9
159.08008	6.9
159.11707	4.1
160.05150	2.2
161.05956	8.4
161.09610	2.2
163.03899	2.8
163.07507	4.5
167.08417	2.1
169.06529	2.3
169.10120	3.0
171.04417	2.1
171.08060	4.4
171.11652	4.4
173.05962	5.1
173.09659	2.4
175.07573	7.9
175.11110	4.1
175.14882	1.9
177.00748	4.2
177.09067	4.4
183.11600	2.6
185.09616	2.8
186.06728	3.3
187.07532	6.8
187.11105	2.2
189.05522	2.4
189.09048	6.4
191.06969	11.6
193.12241	5.3
195.11685	3.4
197.09647	2.6
198.06482	2.5
201.09067	3.5
202.07439	3.9
203.06947	2.6
205.08536	9.8
209.13206	2.3
211.11331	2.6
211.13161	2.3
213.09009	9.2
214.09846	2.0
215.10643	16.4
217.15756	2.3
227.11876	2.4
229.12288	4.0
231.10129	2.6
233.11684	61.6
234.11943	2.2
240.09029	1.9
241.09697	3.7
243.10133	3.7
255.11279	13.0
255.13722	3.3
257.11874	3.0
265.03671	2.1
265.08908	2.0
273.18567	5.3
274.09525	22.8
274.59692	10.0
276.20395	2.2
283.10751	13.5
285.14777	7.9
287.13025	5.8
291.13974	2.2
301.07141	2.1
303.15915	4.5
311.16321	11.0
313.78085	2.4
315.13364	6.9
318.38373	2.3
329.17410	55.5
330.17813	4.1
347.18454	19.5
347.22278	9.1
347.26141	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	348.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
54.86570	1.5
55.01869	2.1
56.05019	2.1
56.96555	2.5
57.03425	4.4
61.02903	5.8
67.70740	1.6
68.04987	1.6
69.03416	12.5
70.02071	10.9
70.06576	3.7
71.04980	2.3
72.08128	2.3
73.02891	3.8
79.05460	3.6
81.03403	3.9
84.08118	4.7
85.02887	24.8
86.09682	3.5
87.04452	1.7
97.02888	12.0
98.97581	7.1
99.04443	2.7
101.00861	9.0
105.07034	1.7
107.04971	2.1
109.02845	3.0
111.04408	1.8
113.00817	1.7
115.02405	1.8
116.98581	3.0
119.01898	35.7
120.02063	2.0
121.06489	5.6
127.03885	5.1
131.01865	12.6
133.03461	7.3
136.06174	5.5
137.02846	2.2
138.05479	3.3
143.01865	10.3
144.02002	3.2
145.01663	2.0
145.03436	5.5
145.04979	3.1
146.99736	1.8
149.05959	6.0
150.05447	2.7
151.07526	1.9
155.01862	4.7
157.03433	4.3
161.02922	12.1
162.03102	5.5
168.06549	3.7
168.99800	8.9
171.05002	3.1
173.02925	5.8
175.04541	2.5
176.06065	1.8
176.56078	2.9
177.04169	4.1
177.05884	3.0
185.06529	2.4
186.04654	3.6
186.14882	6.9
187.00841	9.5
187.04477	3.7
189.06084	2.1
191.03935	2.3
196.99306	2.1
203.03961	5.2
204.04062	2.4
205.05605	5.8
215.00317	22.6
221.05003	8.2
223.04709	2.1
223.06604	6.5
229.01947	6.9
239.06094	2.6
245.05168	5.0
247.02995	19.0
259.02887	2.0
259.06622	6.5
267.07184	3.0
270.04568	2.6
274.01550	2.0
288.09494	2.8
289.04126	4.0
289.11050	4.1
307.05316	2.0
339.51270	1.6
348.10562	100.0
348.20062	7.0
349.09512	24.8
351.11404	2.7
352.11639	4.4
353.11072	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07843	0.5
67.05493	1.5
69.03401	1.4
71.54443	0.8
73.02886	0.6
79.05485	1.8
81.03409	5.4
81.07040	1.2
85.02887	3.7
91.05438	0.9
93.07018	1.7
94.04176	0.8
95.08608	5.7
97.02883	0.9
105.07016	7.9
107.04927	1.1
109.02797	0.6
109.06499	1.7
123.08059	8.1
127.03870	0.7
133.06468	19.7
138.80931	0.6
145.04906	1.0
151.07521	100.0
152.07828	1.3
169.08583	0.8
302.07474	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.6
63.71415	1.0
64.28034	0.9
67.05492	1.7
69.77112	7.1
79.05485	5.3
81.07022	1.7
83.95313	1.0
84.04465	1.1
85.02899	1.1
91.05476	1.8
95.04918	1.7
95.08619	1.5
98.20683	1.2
103.05446	2.7
105.07014	40.9
109.06496	2.8
123.08052	35.0
133.06471	100.0
151.07515	17.5
224.26801	1.0
326.73309	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.4
62.27400	1.0
67.05487	1.5
68.92604	1.0
69.03402	1.1
69.64098	9.0
70.06559	1.3
70.92760	1.1
78.31680	1.2
79.05483	6.4
81.07025	3.2
84.04488	3.4
84.08138	1.4
85.02876	3.5
91.05442	2.7
95.04967	2.7
95.08602	1.9
97.02793	1.2
98.20719	2.7
98.83134	1.1
103.05427	3.9
105.06337	2.1
105.07018	38.4
109.06474	3.1
121.06506	1.8
122.02777	1.1
123.08049	30.9
127.03839	2.5
131.04961	1.1
133.06471	100.0
136.06149	3.2
145.04965	1.1
151.07524	19.9
158.05952	1.3
202.08942	1.9
215.57347	1.3
218.19283	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.5
56.05027	11.2
56.96553	6.2
57.03426	2.2
58.06582	4.7
60.04506	5.0
61.02920	1.4
67.05487	2.7
69.03418	5.9
69.07049	3.9
70.06564	4.4
71.04971	1.9
71.70319	1.5
72.08133	4.3
74.06068	23.0
79.05463	2.1
81.03385	2.8
83.04961	2.2
84.04501	12.1
84.08125	4.4
85.02902	12.3
86.06042	3.4
86.09693	67.3
87.05570	2.8
88.03972	2.7
91.05441	1.8
92.00281	1.3
93.07025	3.3
95.04955	3.2
97.02875	5.0
98.97559	9.6
100.07594	2.2
101.07124	19.3
102.05519	2.5
105.07021	2.0
107.04922	2.1
107.08571	1.6
109.02865	2.2
109.06503	2.5
110.97535	2.3
112.08698	1.8
116.92103	1.2
116.98596	7.6
119.01913	2.7
119.46512	1.3
121.06506	10.4
123.04426	1.6
124.11222	1.8
126.05552	1.4
126.09167	2.9
128.10678	2.2
128.98595	3.2
131.01933	1.8
131.04956	2.4
133.06438	1.9
134.99683	3.3
136.06165	42.2
142.12259	8.2
143.00073	1.5
143.11766	6.1
144.06412	1.4
145.04880	1.9
146.99666	2.5
148.05995	3.2
149.05980	17.3
151.07605	1.6
155.01816	2.0
158.99681	2.7
161.01213	2.3
161.02737	1.7
161.88356	1.3
167.07024	10.7
168.06454	2.5
173.12830	15.6
177.00667	2.9
183.55719	2.0
187.02780	2.9
187.08134	3.6
187.14386	100.0
188.14735	2.4
199.08182	5.0
201.12308	2.7
205.03786	2.3
215.13887	24.1
217.09154	1.9
219.01645	6.6
221.05020	3.2
228.48647	1.6
237.02803	10.1
247.12820	3.5
260.04224	1.6
289.11285	14.9
303.07419	2.7
307.12329	4.9
321.08487	4.9
330.17661	2.8
331.06918	5.4
348.06665	2.0
348.10214	2.8
348.17697	2.1
349.08145	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	349.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87386	2.2
53.77578	2.5
55.01861	2.8
56.96558	5.9
57.03416	3.9
61.02914	4.8
69.03407	9.4
70.54593	9.6
79.05488	4.6
81.03401	10.1
84.08089	3.3
85.02876	17.2
87.04424	3.0
91.05446	4.4
93.07017	3.3
97.02861	8.8
98.97557	10.6
101.00864	46.8
103.02402	4.2
107.04882	3.9
113.00860	8.3
115.02412	4.9
116.98607	3.7
119.01900	100.0
120.01981	5.2
121.06465	5.0
127.03901	5.2
131.01888	36.9
133.03430	17.2
137.02921	11.1
142.03525	3.3
143.01849	20.9
144.01962	2.7
144.99796	4.9
145.01608	4.4
145.03426	9.2
146.99759	2.8
149.02882	8.0
149.05959	6.5
155.01875	15.0
157.03462	10.6
161.02940	25.9
168.99780	29.5
169.06822	9.3
171.05055	6.8
173.02908	16.8
175.04427	3.6
177.02489	3.5
180.99785	3.0
185.03027	4.5
187.00850	34.8
187.04637	6.3
187.07942	11.3
191.03978	6.4
196.99294	13.9
199.00877	8.0
199.08104	5.2
201.02431	4.0
203.03885	7.4
205.05573	6.9
205.09067	5.4
215.00340	84.3
216.00502	3.3
217.49083	2.9
219.01620	3.7
219.03564	5.7
221.04984	16.2
223.06516	7.2
229.01897	26.1
231.03481	8.3
237.02693	5.9
238.01799	4.4
239.06050	5.4
241.01979	3.4
245.05032	9.1
247.02953	81.1
247.05338	4.4
247.06792	3.8
248.03181	5.5
259.02905	10.7
259.06717	4.4
263.06033	3.3
289.04193	16.1
289.11414	15.8
307.08768	4.0
307.12347	7.1
317.03470	11.4
349.08920	44.0
349.13278	5.0
350.09662	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1488
Annotation	Angeloside
Peak:m/z	Relative Intensity
50.46564	1.5
53.03932	4.2
55.01854	2.3
55.05507	1.9
56.96533	1.6
57.03407	2.5
60.31464	1.6
61.02914	9.4
67.05489	8.6
69.03416	10.7
69.07088	1.8
70.12215	8.8
71.04991	1.6
79.05476	35.2
79.09541	1.9
81.03389	8.7
81.07040	12.8
83.04968	4.1
85.02885	29.6
91.05468	31.3
93.07028	63.0
95.04942	4.9
95.08591	37.1
97.02878	4.3
97.06518	13.4
99.04420	2.7
103.05466	3.6
105.07013	100.0
106.07379	2.4
107.04945	2.9
107.08605	9.2
109.02859	5.6
109.06513	15.1
121.06499	10.3
123.08048	14.9
127.03922	5.0
131.04932	2.1
133.06461	9.1
139.07521	61.6
141.09062	2.7
145.04916	2.9
151.07520	54.4
152.07883	2.2
154.49358	1.6
161.02916	1.5
169.08586	15.3
172.47862	1.5
172.99817	1.8
187.09633	54.0
349.08609	3.2
349.14450	2.0
371.65283	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.1
55.01873	15.0
55.05504	38.6
57.03429	24.2
58.65254	1.8
65.03924	4.7
67.05495	54.5
69.07060	31.7
70.96185	3.9
71.04990	2.9
79.05482	94.5
80.05820	2.3
81.03433	3.0
81.07046	50.1
83.04960	10.6
83.08607	14.7
85.06520	3.1
89.76629	1.5
91.05466	59.4
93.07034	51.4
95.04954	10.9
95.08596	27.1
97.06525	15.2
97.10172	13.5
98.98464	4.2
99.08113	1.7
103.05452	3.2
105.04498	1.8
105.07017	68.1
105.07724	3.3
107.04944	23.4
107.08578	100.0
108.08926	1.9
109.06485	8.5
109.10139	17.4
111.08048	5.0
113.00001	10.7
115.05465	2.1
116.77374	1.6
117.06996	15.7
119.08564	39.3
121.06496	6.4
121.10135	18.7
123.08081	4.7
123.11727	5.1
125.09616	15.3
128.06126	1.7
129.06998	6.9
131.08553	30.7
133.10114	34.6
133.11127	1.8
135.08073	8.8
135.11658	15.2
137.09637	2.6
141.07004	2.2
143.08537	9.0
145.06435	2.1
145.10107	66.0
147.08028	2.1
147.11668	29.0
147.12735	2.7
149.09602	21.8
149.13268	5.6
151.11188	2.8
155.01038	5.1
155.08531	4.7
157.10114	7.7
159.11662	21.9
161.09621	3.1
161.13243	8.8
163.11169	9.4
169.02597	12.5
169.10135	5.5
171.10297	2.6
171.11673	10.5
173.11859	3.4
173.13277	8.2
175.11182	2.1
177.12769	4.8
181.12210	2.8
183.00706	1.6
183.11694	7.3
185.13293	4.6
187.11111	2.6
187.14810	1.9
189.11249	12.1
195.13879	1.9
197.13327	5.1
203.14336	2.4
205.12173	1.7
215.14471	1.7
219.13892	2.1
219.17493	5.0
229.19542	6.0
239.17889	15.7
247.20544	3.1
257.18964	43.3
275.20032	71.9
276.20538	3.2
296.49222	1.5
349.19568	3.1
349.23749	56.9
349.28012	3.5
350.24084	3.1
371.01804	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.0
55.01862	17.0
55.05504	36.8
57.03426	23.4
57.07061	3.3
57.75147	2.3
59.04984	2.8
60.62741	2.1
65.03928	6.8
67.05493	62.5
69.03421	2.4
69.07054	36.3
69.70665	12.6
71.04969	4.3
75.04490	2.9
79.05482	100.0
80.05795	2.2
81.03410	5.1
81.07041	62.5
83.04971	9.8
83.08593	16.7
85.06529	3.0
86.09670	2.2
91.05463	78.3
93.07030	57.4
93.07584	4.4
95.01342	3.0
95.04952	16.4
95.08595	36.3
95.11412	2.1
97.06516	20.3
97.10146	11.8
98.21467	3.8
99.08060	3.2
103.05476	3.4
105.07011	81.9
107.04951	25.0
107.08574	93.4
108.08939	2.2
109.06515	10.3
109.10126	18.6
111.08084	4.6
115.05447	3.4
117.07004	29.8
119.08562	48.4
121.06478	6.5
121.10134	21.5
123.08104	5.9
123.11711	3.7
125.09564	11.1
129.07030	10.8
131.08554	36.1
133.10098	42.3
135.08064	8.0
135.11678	11.7
137.09621	2.1
141.06973	5.1
142.07741	2.4
143.08525	15.1
145.06459	3.7
145.10101	78.0
146.10402	2.2
147.11664	38.9
149.09592	23.9
149.13246	3.9
151.11221	3.8
155.08540	6.1
157.10123	11.8
159.11671	30.6
161.09593	3.1
161.13249	13.5
163.11183	8.9
169.10098	6.1
171.10313	3.8
171.11658	16.2
173.13242	13.8
175.14795	2.9
177.12750	3.8
179.14331	4.9
183.11707	9.7
185.13264	8.5
186.61928	2.2
187.11293	3.7
187.14818	3.3
189.11215	7.5
197.13274	7.0
203.14397	3.5
211.14865	3.9
219.17473	4.3
229.19429	4.0
239.17932	18.7
247.20599	6.5
257.18961	46.5
275.20023	61.4
276.20328	4.4
292.10202	2.0
302.69370	2.1
331.22650	2.3
349.23740	80.8
350.24362	4.3
350.29065	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	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81263	2.0
51.13239	2.1
53.03928	14.0
55.01865	29.9
55.05500	49.4
57.03193	2.2
57.03430	21.5
65.03922	2.7
66.81843	2.1
67.05135	3.8
67.05492	74.0
68.62638	2.0
69.03427	4.5
69.07056	50.4
70.23403	10.9
71.04958	6.0
72.93819	1.9
79.05481	100.0
80.05791	2.1
81.03413	21.0
81.07042	72.8
83.04973	24.7
83.08603	13.4
85.06497	4.4
91.05466	60.2
93.07029	77.3
95.01306	10.1
95.04958	21.3
95.07999	3.7
95.08583	37.4
97.06519	37.6
97.10146	11.3
99.08078	2.4
99.86159	1.9
103.05416	3.0
105.07009	72.1
105.67216	1.9
107.04935	38.9
107.08577	49.6
108.08923	2.6
109.06494	10.0
109.10135	23.2
111.08064	6.8
113.06009	2.4
117.06982	20.7
117.54977	2.2
119.08563	41.3
121.06489	6.8
121.10123	20.9
121.20891	2.1
123.04437	2.4
123.08042	8.5
123.11674	7.3
125.09637	11.8
129.06961	4.1
131.08549	27.5
133.10109	44.8
134.10445	2.6
135.08026	8.8
135.11644	10.3
141.06895	2.4
143.08557	5.6
145.06459	4.6
145.10078	21.3
147.11642	20.7
149.09601	36.4
149.13197	6.9
151.11191	2.6
155.08519	2.2
157.10078	4.6
159.11653	14.0
161.13254	9.9
163.11108	4.9
163.14778	2.7
165.09111	2.7
169.10124	6.1
171.11696	7.5
173.11816	1.9
173.13255	6.9
175.11177	2.7
177.12772	6.5
179.14272	19.6
183.11661	5.2
187.11107	3.9
189.11188	2.9
205.12213	3.7
209.15364	2.6
229.19391	4.5
239.17963	3.9
247.20575	2.4
257.18939	8.7
275.20035	63.3
276.20322	6.2
344.46753	2.4
349.23639	42.1
350.23706	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	349.2367
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03936	8.1
55.01860	18.4
55.05503	38.8
57.03426	24.3
57.07066	2.7
65.03924	4.3
67.05497	74.2
68.05834	2.5
69.03407	2.5
69.07059	48.0
70.91973	2.4
71.04977	4.6
79.05022	5.3
79.05482	97.7
81.03391	6.7
81.07047	66.8
83.04955	12.0
83.08604	16.4
85.02859	2.4
85.06539	4.3
91.05466	70.7
91.73383	2.1
93.07030	62.8
94.07361	2.5
95.01300	4.7
95.04956	14.7
95.08594	43.6
97.06522	29.5
97.10155	12.0
98.98517	2.6
103.05469	3.0
105.07012	93.0
106.07321	2.5
107.04943	30.7
107.08581	84.4
109.06500	9.1
109.10143	19.4
111.08075	4.7
113.00002	7.2
116.06190	2.5
117.07006	24.7
118.70710	2.1
119.08558	46.2
121.06516	5.6
121.10120	22.4
123.08046	5.2
123.11676	4.7
125.09621	15.5
129.06985	5.1
130.07762	3.7
131.08562	35.4
133.10106	47.5
135.08034	7.7
135.11681	20.2
137.09595	4.0
141.07002	4.9
143.08534	9.5
145.06502	2.9
145.10100	70.9
147.11678	37.4
149.09592	27.6
149.13260	8.7
155.08528	2.7
157.10165	11.1
159.08076	2.4
159.11664	28.2
161.09579	4.5
161.13181	11.9
163.11192	14.8
163.14767	2.6
169.02637	5.3
169.10104	8.7
171.11652	9.1
172.58777	2.2
173.11827	3.4
173.13251	11.0
175.11139	2.3
176.98917	2.3
177.12692	7.2
179.14273	6.3
183.11636	7.9
185.01064	2.7
187.11255	5.0
187.14847	3.9
189.11169	8.6
189.12695	2.5
197.13248	8.5
205.12262	2.2
229.19417	7.1
239.17902	16.6
247.20622	6.0
257.16449	4.5
257.18961	43.9
275.20032	76.3
276.20306	3.0
316.18726	2.9
328.08749	2.8
331.22443	3.9
349.23679	100.0
350.23840	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	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	18.1
55.01859	24.2
55.05502	34.7
57.03425	27.9
57.07049	2.0
63.27298	1.3
65.03912	5.0
67.05495	83.4
69.03392	2.1
69.07056	67.1
69.72585	11.1
70.07362	1.4
71.04970	4.7
73.66219	1.3
74.34327	1.4
77.03908	2.2
79.05479	84.9
80.05807	1.5
81.03402	35.1
81.07040	96.7
82.07378	1.6
83.04969	20.0
83.08604	14.7
85.06514	4.6
89.21436	1.5
91.05463	83.2
92.05794	2.2
93.07029	70.2
95.01314	19.7
95.04959	26.7
95.08588	56.2
97.06517	42.7
97.07169	1.9
97.10159	8.1
99.08081	4.5
103.05431	4.3
105.04488	1.7
105.07009	100.0
106.07358	2.0
107.04933	43.7
107.08573	51.2
109.06480	11.4
109.10138	18.6
111.04447	2.4
111.08073	5.1
113.09632	2.0
115.05397	2.6
117.06998	30.9
119.08565	54.1
121.06483	9.4
121.10129	20.7
123.04416	4.8
123.08059	11.8
123.11697	4.3
125.09592	6.8
129.06969	6.1
131.08542	37.4
133.06479	4.0
133.10106	55.7
134.00308	1.3
134.10451	2.4
135.08023	9.1
135.11668	18.3
137.09596	7.1
139.07530	2.9
141.06973	5.3
143.08548	7.1
145.06493	6.9
145.10101	34.3
147.11650	26.7
149.09612	22.7
149.13219	9.8
151.11165	3.4
155.08565	3.3
157.10118	8.2
159.08034	3.3
159.11662	27.0
161.09637	1.8
161.13242	11.0
163.11139	9.8
163.14813	2.0
165.09045	2.9
169.10123	6.0
171.11708	4.0
173.13219	9.6
175.14815	2.0
177.12674	10.6
179.14291	25.0
183.11708	3.8
185.13193	1.9
187.11142	10.1
187.14832	2.0
189.12802	2.1
195.13828	1.8
197.13171	4.0
199.31657	1.7
205.12140	3.7
210.06479	1.5
213.16443	1.8
219.17369	5.2
223.66257	1.6
229.19496	3.4
239.17857	2.9
241.14345	3.9
247.20601	5.7
257.18958	12.8
259.53870	1.4
275.20020	67.6
276.20325	4.0
349.17368	2.0
349.23688	41.1
349.27686	1.8
350.24161	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	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57302	2.1
53.03938	23.9
55.01869	16.7
55.05509	24.3
57.03429	20.2
65.03934	3.7
67.05498	74.4
69.03401	2.4
69.06689	3.4
69.07060	65.8
70.20406	2.0
71.04963	4.8
71.44966	2.6
71.45320	5.0
79.05485	58.7
80.94521	2.2
81.03411	33.3
81.07050	92.1
83.04971	14.4
83.08616	11.7
91.05470	74.7
91.06032	4.1
93.07032	56.3
95.01319	28.6
95.04956	26.6
95.08600	57.4
97.06532	20.9
97.10145	6.8
99.08082	2.7
103.05443	4.6
105.07019	100.0
106.07378	2.6
107.04942	50.1
107.08588	26.2
109.06498	7.8
109.10113	10.7
111.04501	2.4
111.08058	4.6
117.06998	24.1
119.08570	51.0
121.06475	7.4
121.10110	13.2
123.04408	4.2
123.08049	11.2
123.11665	3.2
125.09584	2.5
129.06947	4.8
130.07780	2.5
131.08556	37.4
133.10117	54.6
135.08051	5.0
135.11697	15.1
137.09581	3.9
141.06937	2.5
143.08543	7.2
145.06429	9.3
145.10092	25.4
146.37917	2.3
147.11687	19.6
149.09612	9.3
149.13258	8.4
151.11267	2.5
155.08481	3.7
157.10126	3.7
159.11690	25.5
161.13193	12.2
163.11162	8.4
165.09109	6.9
169.10117	6.0
171.11714	5.6
173.13255	4.5
177.12770	11.5
179.14278	28.6
183.11758	3.3
187.11171	9.2
195.13844	2.9
205.12274	3.4
220.08870	2.4
229.19485	3.0
241.14346	6.6
247.20596	5.2
257.19061	10.2
275.20044	59.4
349.23724	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	19.2
55.01868	24.4
55.05504	29.6
56.96544	1.5
57.03431	24.6
58.98520	1.4
61.29737	1.6
64.74580	1.5
65.03928	5.0
67.05498	80.9
68.08931	1.3
69.03413	4.0
69.06684	3.3
69.07062	67.9
70.40031	1.4
70.83576	3.0
71.04988	6.5
77.03938	1.5
79.05482	70.6
81.03410	33.5
81.07043	94.9
82.07404	1.4
83.04971	16.0
83.08604	15.2
85.06529	4.9
91.05469	79.7
92.05819	1.9
93.07033	75.0
94.07362	2.1
95.01311	24.1
95.04956	24.2
95.08591	62.6
97.06516	32.0
97.10149	6.4
98.98512	2.1
99.08098	3.0
103.05466	3.3
105.07015	100.0
106.07339	2.3
107.04945	44.0
107.08581	38.6
109.06506	10.4
109.10132	13.0
111.04482	2.5
111.08069	5.4
113.00004	29.9
113.09624	1.7
115.05434	3.2
117.07006	30.0
117.76601	1.4
119.08569	49.4
120.08894	1.3
121.06488	11.3
121.10117	15.0
123.04450	7.6
123.08042	11.5
123.11641	2.0
125.09625	4.6
128.06155	1.6
129.06979	6.7
130.07855	1.5
131.08556	31.4
132.08949	1.4
133.06505	3.2
133.10112	58.8
135.08057	7.2
135.11678	20.9
137.09618	4.7
139.07501	1.9
141.07002	4.1
143.08545	6.3
145.06450	7.5
145.10120	33.4
147.08026	2.8
147.11679	25.9
149.09625	15.3
149.13222	11.6
151.07477	2.0
151.11197	3.0
154.07733	1.9
155.01018	2.1
155.08528	2.7
157.10106	6.0
159.08040	3.6
159.11684	25.8
161.09599	2.9
161.13243	9.3
163.11136	10.1
165.09135	1.9
169.02585	26.9
169.10144	5.5
171.11731	4.7
173.13223	6.8
174.13551	1.9
175.14767	1.8
177.12738	11.2
179.10686	1.6
179.14291	30.7
181.12259	2.0
183.11707	4.5
185.13278	2.6
186.47406	1.4
187.11148	9.3
187.14737	2.1
195.13782	3.6
197.13268	4.0
201.12772	1.7
205.12189	3.1
215.17966	2.0
219.90794	1.5
229.19434	3.0
233.15457	1.8
239.17952	3.3
247.16890	1.8
247.20578	4.5
257.18942	10.0
264.60336	1.8
267.09033	2.1
275.20023	61.4
276.20349	2.0
285.10117	2.9
286.10449	1.5
337.46387	1.4
349.19644	2.0
349.23743	37.0
350.24139	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42577	2.7
53.03938	12.8
55.01862	27.5
55.05500	35.8
57.03428	43.5
57.07065	2.6
62.81476	2.1
65.03932	7.1
67.05495	95.1
69.03439	5.6
69.07056	68.0
70.31145	10.8
71.04979	5.0
79.05482	85.0
81.03410	12.2
81.07043	97.8
83.04972	17.3
83.08606	14.0
85.06523	12.1
91.05464	95.6
93.06429	4.4
93.07029	84.3
95.01321	9.0
95.04957	25.3
95.08591	67.8
97.06508	39.7
97.10162	5.8
99.04463	4.0
99.08086	2.5
105.04490	2.3
105.07011	100.0
107.04935	27.6
107.08569	50.3
109.06524	12.9
109.10125	17.8
111.08097	7.9
113.09611	2.9
117.06998	37.2
119.08562	61.6
120.56165	2.4
121.06496	10.2
121.10124	24.1
123.04414	2.7
123.08073	10.2
123.11692	6.1
125.09610	5.2
128.48668	2.5
129.06992	7.0
130.07761	2.2
131.08543	50.2
133.06490	3.2
133.10107	54.6
134.66022	2.3
135.08035	8.1
135.11670	18.0
137.09641	7.1
141.06955	6.0
143.06763	2.6
143.08559	7.7
145.10098	47.8
147.11659	28.9
149.09602	19.8
149.13255	8.7
151.11156	5.7
152.30307	2.5
155.08537	5.4
157.10118	10.8
159.11679	32.7
161.09698	2.7
161.13251	14.2
163.11174	17.9
165.09132	4.9
165.12762	3.6
169.10135	5.7
169.80916	2.5
171.11700	6.7
173.13232	15.3
175.14870	2.6
177.12744	9.4
179.14323	20.4
183.11674	6.3
185.13277	7.3
187.11191	7.5
187.14868	3.0
189.11125	3.5
197.13307	4.8
201.16405	4.5
203.14284	4.9
207.18555	2.3
219.17407	54.0
219.19514	3.1
220.17940	2.8
229.15839	2.6
229.19495	7.7
239.17964	10.8
247.20654	5.7
257.19006	27.3
275.20035	69.4
276.20459	4.6
349.23734	82.0
349.27533	4.1
350.24042	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.1
52.55905	1.4
53.03936	7.5
55.01865	15.6
55.05504	45.6
56.96547	1.8
57.03424	20.5
57.07057	1.7
65.03926	4.4
67.05493	60.8
69.03408	2.7
69.07056	35.1
70.07387	1.5
71.04980	5.0
71.08985	2.3
71.09293	1.9
74.35796	1.4
79.05480	100.0
80.25536	1.4
81.03400	6.5
81.07043	55.5
82.07324	1.3
83.04949	11.2
83.08605	15.6
85.02899	2.0
85.06524	4.7
91.05465	69.4
93.07031	60.0
95.01305	2.7
95.04963	16.9
95.08590	34.8
97.06520	17.7
97.10159	14.0
102.84212	1.4
103.05471	1.7
105.07011	75.5
107.04934	22.7
107.08572	92.9
108.08913	1.6
108.55949	1.8
109.02847	1.9
109.06513	13.1
109.10139	19.5
111.08060	2.6
112.56637	1.3
114.55614	1.6
115.05440	2.1
117.06993	21.6
119.06076	1.6
119.08559	44.6
120.08069	3.4
121.06494	7.5
121.10128	17.5
123.08050	4.9
123.11665	3.7
125.09586	12.6
128.06221	2.4
129.06973	10.5
130.07773	2.3
131.08553	36.0
133.06451	1.9
133.10104	36.1
133.11115	1.8
134.10440	1.9
135.08047	8.2
135.11697	10.0
137.09569	2.7
141.06982	5.0
142.07840	1.8
143.08556	11.0
144.09337	1.7
145.06473	2.9
145.08963	3.4
145.10104	59.6
145.11226	3.5
147.07945	1.9
147.11653	31.8
149.09589	26.1
149.13254	4.9
151.11174	2.8
155.08563	4.4
155.70686	1.6
157.10089	8.1
159.08020	1.7
159.11678	23.9
161.09601	3.9
161.13226	10.4
163.11142	10.9
164.24109	1.4
165.07008	1.9
165.12610	2.3
169.10117	6.7
171.10252	2.4
171.11626	9.5
173.11862	2.1
173.13211	8.0
175.11180	2.4
177.12711	4.4
179.14308	5.9
181.12169	2.1
183.11618	8.1
185.13277	5.5
187.11191	3.6
189.11244	10.2
189.12747	2.6
195.11635	7.5
197.13295	8.0
199.14848	2.4
201.12759	3.9
201.16261	2.4
203.14249	2.1
205.12320	3.7
207.08098	1.8
209.09521	1.6
219.17386	3.1
223.11200	1.7
229.19421	7.7
236.11510	1.5
237.12646	2.5
237.86641	1.5
239.17932	12.7
247.20590	3.2
257.18958	38.9
258.19397	2.4
269.12204	1.7
275.20029	62.4
276.20407	4.5
331.22568	4.0
349.24136	48.5
350.23837	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	350.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04691	2.9
53.81843	2.4
55.05492	2.9
61.87007	2.5
67.05497	3.7
70.06560	7.0
71.62296	2.5
71.62652	6.5
76.87234	2.9
79.05473	13.2
79.92049	2.6
81.03365	2.8
81.07040	4.4
83.71486	2.5
84.04491	3.0
86.09689	8.8
91.05457	7.5
93.07027	14.1
95.04956	28.1
107.08587	52.3
109.06525	4.1
111.08086	3.5
117.07021	7.7
119.04852	3.6
120.08055	9.5
125.09558	3.3
135.08035	77.9
141.65590	2.8
145.06424	2.8
153.09093	100.0
188.07085	5.3
193.35506	2.8
195.79459	2.7
260.26428	3.0
350.16840	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	350.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05459	2.4
55.01882	5.9
55.05499	12.6
57.03429	3.2
67.05485	13.7
69.03413	4.0
70.06574	15.2
70.55992	9.7
71.04995	5.7
72.08135	16.1
72.44224	2.3
73.02929	2.9
79.05491	18.4
80.50900	2.6
81.03413	3.7
81.07057	10.2
82.07415	3.3
83.04987	6.0
83.08605	13.8
84.04479	14.6
84.08140	6.0
84.73814	2.4
85.02908	9.8
85.06530	13.1
86.09705	4.1
88.46661	2.4
91.05478	8.7
93.07026	14.7
95.04992	4.4
95.08596	20.1
97.02898	6.2
98.20757	3.1
99.04449	11.9
101.09663	2.8
105.07050	5.8
107.04951	9.5
107.08569	39.3
109.02932	2.7
109.06572	2.6
109.10151	3.8
111.04444	7.0
117.06969	12.7
119.08526	2.8
122.06000	4.3
123.08052	3.4
125.09634	7.6
127.03885	3.5
127.10741	2.4
129.10226	2.7
133.06485	3.2
135.08028	28.8
135.11676	46.9
135.12663	4.3
137.05888	2.9
151.07561	3.8
153.09077	43.5
153.12781	7.8
170.11784	2.9
171.10146	100.0
188.07013	3.6
189.05249	5.9
203.07086	4.7
203.09076	3.0
205.08904	8.7
222.11485	3.7
231.06485	3.8
244.09715	2.6
246.11148	14.0
272.09296	5.9
290.10144	2.7
350.12308	3.9
350.16302	4.2
350.20157	3.7
351.10452	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.1
55.01887	6.5
55.11390	3.7
57.03416	6.8
61.02903	5.4
67.05492	6.4
69.03418	24.3
70.06549	7.4
70.72295	16.0
79.05478	26.9
79.05878	3.6
81.03392	6.4
81.07045	5.1
84.04534	4.7
84.08125	7.4
84.96026	6.1
85.02882	33.9
91.05453	23.5
93.06448	4.6
93.07027	93.5
95.04947	5.6
95.08595	9.6
97.02883	13.1
98.97527	8.3
105.07012	8.6
107.04935	6.5
107.08567	37.7
115.05405	5.1
116.07087	4.5
116.98649	7.4
117.06986	12.0
119.08569	27.6
121.06509	14.8
123.08060	26.0
127.03954	7.9
131.04900	5.8
135.08032	100.0
149.05963	28.9
153.09096	44.1
237.02794	8.9
312.33472	4.4
351.10278	5.8
359.17233	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	350.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06893	5.1
55.05499	31.3
57.03409	6.1
60.04510	8.6
67.05502	9.0
69.03401	9.2
69.52187	9.1
69.52589	52.8
70.06582	20.4
79.05476	8.2
81.03413	11.2
81.07069	7.1
82.06581	9.7
83.04975	11.9
83.08593	13.4
85.02904	10.6
86.09688	21.3
90.45882	5.2
91.05466	13.0
92.29764	5.6
93.07041	38.4
95.04924	6.8
95.08583	11.6
98.20730	13.7
100.07605	7.7
100.11240	100.0
101.11576	15.7
105.07027	7.1
107.04945	7.2
107.08575	30.5
109.02850	7.2
111.04395	10.3
120.08089	24.8
128.07077	10.2
135.11673	28.1
139.75389	6.3
141.61575	7.9
147.04375	12.5
157.13359	12.4
161.05855	7.3
175.14595	7.8
182.15390	23.0
189.05542	6.2
209.16411	15.8
210.14867	24.7
211.15280	10.1
213.67960	11.8
227.17566	13.4
227.67720	23.0
277.22879	27.8
317.84555	7.0
326.28247	7.0
343.30688	20.9
344.30951	17.6
346.41431	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	350.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57774	7.7
55.05491	31.8
57.35593	7.4
67.05467	13.1
69.03417	14.7
69.07048	10.8
70.06574	18.5
79.05470	10.8
81.03394	9.0
81.07014	12.6
83.08607	19.9
84.08112	9.4
85.02896	12.5
86.09679	24.5
91.05470	11.3
93.07030	31.6
95.08617	9.1
96.93013	7.6
100.11243	100.0
101.11552	24.7
107.08570	25.9
111.04423	12.2
120.08086	16.7
134.38176	7.8
135.11682	14.0
136.18474	7.0
147.04352	8.5
182.15428	14.5
183.15704	11.8
209.16524	16.0
210.14893	30.5
211.15118	11.4
227.17503	15.9
228.17944	10.0
229.65768	11.5
276.72507	11.2
277.22910	30.5
277.73160	12.2
285.74081	8.9
343.30640	16.6
344.30954	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	351.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	2.4
57.03421	2.1
58.99866	1.8
59.22083	1.6
61.02927	1.7
65.02711	1.7
69.03417	4.9
70.59281	1.5
71.55225	2.1
71.55579	2.7
77.00881	1.8
81.03375	3.7
83.62321	1.7
85.02874	6.3
88.71790	1.6
97.02874	4.2
98.97526	2.5
101.00872	19.1
103.00610	4.3
103.02406	6.9
105.00401	1.5
109.02863	2.3
109.09015	1.5
113.00847	5.5
115.02399	5.7
119.01903	47.5
120.01949	3.0
121.01653	13.2
121.03479	2.6
127.02383	4.1
129.03984	8.0
131.01880	34.5
133.01622	4.8
133.03432	21.4
134.03580	1.7
135.03188	1.8
137.02907	6.9
139.02446	2.3
143.01878	15.6
145.01649	2.3
145.03436	35.3
146.99414	1.6
147.01372	5.3
147.05002	13.0
149.02919	6.0
151.04503	3.1
153.03963	5.5
155.01877	30.2
157.03445	25.4
159.03299	1.5
159.05019	7.1
160.02159	3.7
161.02942	21.5
163.02655	3.9
163.04469	4.9
165.06004	3.0
167.01857	4.7
169.03416	6.2
170.99579	4.8
171.05000	38.9
173.02936	42.6
173.06442	2.1
174.03104	1.7
175.02872	2.1
175.04500	9.9
177.02423	2.6
181.03432	3.6
183.05000	4.6
185.02965	17.1
185.06508	2.6
187.04536	10.3
189.00793	3.6
189.02396	3.8
189.06042	13.2
191.03944	4.5
194.06757	1.7
196.04483	2.2
197.02945	5.6
198.99113	2.0
199.04434	8.0
201.06046	5.3
203.02304	2.8
203.03993	14.0
207.05276	2.9
207.07159	6.8
209.02924	4.0
215.03992	4.5
217.00093	11.3
217.05566	3.1
221.03223	2.3
221.05031	16.0
225.06123	2.8
225.08211	5.4
229.05528	3.5
231.01706	5.1
231.03619	2.5
231.07117	3.6
235.06668	20.1
237.02750	2.1
245.04990	6.0
247.06721	8.0
249.02730	10.9
249.08185	15.1
253.07677	23.2
257.05096	9.5
261.02664	2.4
261.08179	16.3
263.09845	1.9
265.04041	2.8
273.08124	5.6
279.09323	9.6
285.08133	2.5
289.07639	36.5
291.09055	8.9
301.03888	6.3
305.07013	3.4
309.10248	2.1
319.04929	2.1
321.10260	2.7
333.06610	38.3
351.07169	24.5
351.11990	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43697	2.1
56.96555	4.0
57.03415	4.3
61.02901	9.4
64.38000	2.2
65.41315	2.4
69.03408	8.9
70.08072	12.7
73.02898	4.5
77.00910	5.5
81.03432	4.4
82.99844	2.6
84.04487	5.9
84.08149	3.3
85.02882	9.8
85.03374	2.4
88.98466	2.3
91.03944	5.2
97.02874	10.4
98.97581	9.0
101.00858	18.9
102.05532	3.3
103.02431	8.2
109.02866	3.4
113.00867	3.8
115.02382	4.9
116.24903	2.3
116.98607	4.3
119.01907	47.4
120.02005	2.3
121.03479	4.4
127.02406	7.2
127.03886	4.8
128.98615	4.1
129.02097	6.3
130.04988	3.8
131.01884	21.4
133.03444	28.5
136.37260	2.5
137.01912	2.5
137.02916	5.3
139.02376	2.9
140.08324	2.2
143.01883	25.8
145.03435	52.4
147.01387	12.2
148.06009	5.2
149.02902	4.2
151.04488	11.5
152.02380	4.9
155.01855	25.0
156.02623	6.3
157.03423	32.6
158.99603	2.8
159.04988	3.8
161.02945	46.3
163.04501	4.2
167.03030	3.3
169.03397	3.8
170.03465	9.1
171.01367	4.3
173.02928	43.1
174.03709	4.4
175.04515	30.6
177.00676	4.6
177.02370	3.5
179.02863	2.6
180.03703	4.3
182.03435	8.3
185.01309	3.7
185.02931	29.9
187.04504	16.3
188.03389	3.7
188.53508	3.3
189.02423	10.1
191.03816	3.5
194.03500	3.4
196.04414	3.4
197.02917	6.4
198.02979	11.1
199.06104	2.9
201.02458	9.3
203.00703	6.7
203.02194	5.1
203.03984	81.5
204.04082	5.2
207.03473	2.8
210.03104	5.4
211.53062	2.5
212.04492	40.3
212.54579	14.3
213.04526	5.1
214.96506	3.6
215.03944	17.4
219.01717	4.0
221.01805	13.8
221.05032	100.0
222.05180	4.9
226.05562	3.0
228.98167	3.8
231.03542	4.9
232.03314	3.0
233.05045	8.9
237.02870	5.0
239.06168	17.7
243.03482	6.5
245.05058	94.4
246.05211	5.9
247.07014	3.1
254.99609	3.6
255.03731	4.7
261.04602	24.8
262.05331	2.8
263.06094	88.2
264.06232	4.8
269.56064	2.9
270.05038	6.4
270.55347	4.2
270.98956	2.7
271.05417	4.8
273.01303	3.8
273.04572	7.8
275.06161	8.7
279.05695	31.7
284.06619	47.8
284.56659	19.7
285.06641	3.6
287.08102	3.1
291.02469	3.1
291.05521	33.5
293.07159	19.9
293.57300	5.5
298.98514	3.1
303.05664	11.8
304.57950	7.3
305.08710	5.4
309.03394	6.5
309.06625	41.6
321.06644	8.8
321.54214	2.3
333.08209	10.9
351.07529	67.8
352.08145	4.5
368.83786	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	351.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79818	0.5
53.03955	0.6
55.01864	0.6
55.05502	0.7
56.96560	19.2
57.03413	0.7
61.02911	1.0
67.05495	1.1
69.03413	4.2
69.80457	1.2
69.80868	2.9
70.06575	1.0
70.98121	0.6
71.04977	0.8
71.95229	0.6
72.08147	1.6
73.02912	0.9
74.97578	0.5
75.60667	0.6
79.05467	2.8
81.03396	2.7
81.07041	2.5
83.04959	1.0
84.04479	0.6
84.08131	2.1
84.96018	3.9
85.02897	5.8
87.04462	0.8
91.05464	2.0
93.07024	1.1
95.04955	2.5
95.08576	0.9
97.02879	3.1
98.21419	1.1
98.97572	96.3
101.00867	1.4
109.02853	1.3
109.06502	1.1
110.97545	6.8
111.04424	1.4
112.99126	1.4
116.98609	66.5
117.03989	0.9
117.98994	0.6
119.01897	5.5
119.04879	1.2
120.01955	0.8
121.01649	1.1
123.04408	2.3
127.00698	0.7
127.02424	0.7
127.03874	1.4
128.98589	11.4
129.02220	0.7
131.00125	2.2
131.01881	0.9
133.03491	0.9
134.05992	0.9
134.99648	28.2
135.04358	0.9
137.05908	1.5
140.00194	3.6
143.00140	1.6
143.01875	1.7
144.98122	0.8
145.01678	2.2
145.03413	4.5
145.04898	0.6
146.99626	8.5
147.01378	1.2
147.03233	4.7
147.04300	0.9
149.01155	1.7
149.02957	0.7
152.00259	0.7
152.07094	1.0
152.98596	1.4
153.00656	2.3
155.01923	1.1
157.03447	0.8
158.01265	1.0
158.99637	35.6
161.01254	4.4
161.02913	4.9
162.81870	0.6
162.99104	2.5
163.02740	3.8
163.04471	1.6
165.00679	1.3
165.04324	3.8
165.05524	1.0
169.03439	0.6
170.01199	1.2
170.99637	4.9
171.01381	4.0
171.03296	3.0
171.04626	0.6
173.01312	0.9
173.02953	1.9
175.02692	1.2
177.00697	45.6
179.02307	1.0
187.02856	1.0
187.04501	1.3
188.05772	0.8
189.00682	3.4
189.02431	9.6
189.04317	13.4
193.03789	1.0
195.01741	4.1
200.02374	4.0
201.00674	1.3
201.02432	0.8
207.03401	2.5
207.05360	3.2
212.05986	0.7
213.00598	0.9
213.06155	0.6
219.01738	12.1
219.05170	0.8
221.04939	0.8
223.01228	0.7
231.03479	18.2
231.05463	3.0
232.03719	1.2
232.73204	0.7
237.02795	25.8
238.03290	0.8
241.94951	0.7
242.03392	0.9
249.04443	3.6
255.03780	1.4
260.04437	1.4
291.04193	1.3
291.07471	29.6
309.08533	100.0
310.08859	2.7
332.10114	8.3
351.09558	28.1
351.19043	1.1
352.09879	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	21.7
60.32377	0.6
63.81705	0.6
69.03414	1.5
70.06583	0.9
70.76432	2.0
75.89083	0.5
81.03410	2.8
84.08134	2.6
84.96024	6.6
85.02876	2.4
95.04977	1.0
97.02872	1.8
98.97567	94.3
110.97550	11.5
112.99126	2.3
115.52663	0.7
116.98607	46.4
117.98997	0.8
119.01902	1.1
123.04401	1.0
124.99120	0.8
127.00684	1.0
127.03877	1.1
128.98584	16.1
129.02220	1.5
131.00174	3.1
134.99637	13.5
140.00188	2.1
140.98566	1.6
143.00131	4.2
144.13863	0.8
144.98091	2.3
145.01721	4.9
145.03433	1.2
146.99634	8.2
147.03271	8.4
149.01234	1.7
152.98599	3.1
158.99637	29.1
161.01212	4.5
161.02939	1.1
162.99147	2.5
163.02791	4.7
165.00737	0.8
165.04332	8.5
167.07071	1.1
170.99643	4.6
171.03249	1.4
175.02768	1.5
177.00687	29.3
178.01062	1.1
189.00761	4.2
189.02505	1.1
189.04309	9.2
193.03816	1.7
195.01712	3.3
200.02303	1.7
201.00691	2.0
203.05934	1.1
207.05315	4.4
213.04224	0.7
217.03827	0.9
219.01738	23.5
219.05208	1.3
231.03442	2.6
231.05464	3.7
234.98973	1.1
237.02782	39.5
242.03241	0.8
249.06438	2.3
255.03865	2.7
260.04367	1.7
291.07465	34.6
292.07837	1.7
309.08527	100.0
310.08829	3.8
332.10120	5.5
351.09631	21.2
351.18973	2.0
352.09756	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05456	1.4
57.03317	0.6
64.40672	0.7
67.05439	1.6
69.03353	1.5
69.07010	0.8
70.92854	1.5
79.05391	1.8
81.06963	2.0
85.02838	0.6
91.05375	2.1
93.06947	2.6
95.04902	0.7
95.08500	2.0
97.02811	0.8
105.06928	2.1
107.04885	1.3
107.08521	1.4
109.02776	1.2
109.06408	1.2
109.10078	1.5
117.06935	1.1
119.08440	1.8
121.10113	1.5
129.06870	0.6
131.04823	0.8
131.08499	0.8
133.10043	1.5
135.37440	0.7
137.05902	0.8
143.08476	1.1
145.10039	1.0
147.04305	1.1
147.11656	0.7
159.07922	0.7
161.05896	1.7
177.05318	0.8
179.42410	0.6
189.05359	1.7
189.06995	1.9
190.07655	2.7
191.08430	1.8
192.09091	1.3
199.07376	1.4
202.07742	7.8
203.08553	3.3
205.06400	3.4
206.07236	0.8
207.06378	1.3
215.08601	3.4
217.06534	1.0
218.07259	3.8
219.08018	7.9
220.08751	4.5
229.06355	1.3
230.07210	7.6
231.08035	11.2
232.08679	2.7
233.05859	3.6
233.09543	1.2
234.06627	1.6
237.09082	0.9
242.07178	1.9
243.08035	1.6
245.05872	1.7
245.09572	1.6
246.06668	4.8
247.05144	1.0
247.07498	10.4
248.08264	8.5
249.08977	1.6
258.06812	5.2
259.07513	8.2
260.08322	5.4
261.05484	4.8
261.09003	2.3
262.06183	2.3
262.09729	1.1
263.10654	4.1
265.08597	1.9
273.05969	1.5
273.09048	18.1
274.06180	2.9
274.09515	1.6
275.07028	6.1
276.07745	18.2
277.08472	5.7
286.06256	1.0
287.06967	1.6
288.07709	0.8
289.04913	3.6
289.08530	9.3
290.06009	1.4
290.09302	12.6
291.10043	13.8
293.08029	3.6
301.08514	8.9
302.09097	1.3
303.06500	1.6
304.07248	16.1
305.07980	10.0
308.10428	1.1
318.08826	2.1
319.09598	100.0
320.10275	16.0
323.12479	0.9
336.09946	2.0
351.12219	35.3
351.26733	1.0
352.12601	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	14.1
67.05476	22.4
69.07047	13.6
70.06586	7.5
70.32800	30.9
72.08107	8.1
76.58917	7.5
79.05492	23.6
81.07021	31.1
83.08590	16.5
84.08125	11.2
85.02881	22.2
85.06519	8.5
91.05469	10.3
93.07027	71.8
95.08597	82.4
102.73028	9.0
105.07040	9.4
107.08576	74.5
109.02825	9.6
109.10126	38.8
120.05412	8.0
123.11682	22.7
135.11678	100.0
138.31276	8.7
153.12711	36.2
171.13753	25.9
189.05338	14.0
189.14810	23.6
309.47305	10.9
351.10504	36.2
351.15732	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	351.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31121	10.1
59.69402	12.5
67.05470	18.1
68.72187	10.2
69.03426	22.1
70.85954	39.9
71.33601	11.0
75.42658	12.7
79.05466	18.9
81.07057	23.0
85.02859	13.2
91.05446	24.0
93.07008	31.7
95.08609	100.0
105.07051	14.5
107.08570	56.2
109.10154	15.4
110.06042	16.3
119.08660	13.0
122.06057	16.4
133.10126	13.6
135.11642	28.9
138.05505	23.0
151.07503	27.1
152.06940	15.6
153.12749	48.4
180.06578	37.6
198.07631	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2009
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
51.16758	11.9
53.37041	11.7
53.64552	13.1
55.05515	22.4
55.68197	12.2
66.28069	13.7
67.05481	25.7
69.03419	23.5
69.07055	23.4
70.06576	35.6
70.26084	26.7
70.26482	31.8
71.05018	18.4
72.93414	12.8
79.05485	28.8
81.03393	22.0
81.07048	93.4
83.08596	13.2
84.08135	16.4
85.06512	19.0
86.09695	27.3
91.05475	53.1
93.07044	69.0
93.99258	13.3
95.04961	37.9
95.08595	100.0
97.02879	14.2
99.04465	17.6
105.07041	36.7
107.08566	61.5
109.06490	22.1
109.10143	15.8
119.08556	28.7
121.06496	20.2
121.10137	23.0
123.11687	36.1
125.06019	16.5
127.03870	17.0
127.19411	12.2
132.10202	16.6
133.10182	14.8
135.11658	50.1
137.05934	17.2
147.04465	20.6
147.07953	15.6
147.11687	17.8
153.12723	74.1
161.13310	17.0
166.08569	17.7
187.13213	13.6
302.89194	14.5
303.28305	12.3
303.60767	13.2
351.18271	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	351.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92548	2.4
55.01854	2.1
55.05487	4.2
57.03424	3.5
64.62395	2.3
67.05495	11.1
68.52389	2.1
69.03412	3.9
69.07044	5.3
70.06567	4.6
71.04974	3.3
71.10155	6.1
71.15725	2.6
79.05461	6.5
81.03410	5.6
81.07034	11.0
83.04958	3.0
83.08590	2.7
84.08116	3.0
84.66443	2.0
85.02885	5.3
85.06512	7.1
88.03986	2.5
91.05465	7.5
93.07002	9.8
95.04951	4.0
95.08594	100.0
96.76051	1.9
97.02880	5.2
97.06509	6.3
105.06995	6.2
107.08543	14.9
109.02882	4.4
109.10124	5.7
109.70585	2.3
113.25555	2.2
118.37676	2.0
119.08526	4.4
123.11736	2.5
127.03893	3.4
129.07002	2.6
135.11646	13.8
136.07558	2.7
137.05942	2.9
147.08003	2.6
148.07579	2.7
153.12717	32.4
155.10635	3.8
164.07016	3.6
170.08089	3.7
171.13815	3.3
189.14824	7.5
248.43044	2.3
281.92288	2.4
293.35220	2.4
351.15131	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	351.2007
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
53.03908	4.1
54.08147	3.2
55.05488	4.3
57.03426	7.3
59.26973	3.0
67.05486	15.1
69.03386	4.6
69.07053	6.9
70.06576	14.2
70.13341	8.7
70.13737	6.3
71.04986	3.5
72.08141	7.3
76.09125	3.6
79.05476	10.8
81.03410	8.0
81.07032	13.6
83.04954	6.0
83.19512	3.1
84.08134	6.4
85.02882	12.7
86.09684	5.8
91.05466	15.7
93.07027	15.7
94.06609	3.9
95.04933	6.3
95.08586	100.0
97.02817	4.7
97.06477	5.1
98.20788	6.6
101.92453	3.4
105.07011	11.5
107.04977	6.4
107.08569	11.6
109.02877	6.5
109.10133	9.7
112.07601	4.7
116.07073	6.3
118.06525	16.0
119.04949	5.3
119.08545	8.6
121.06424	4.3
121.10152	5.6
122.05998	5.2
124.07564	3.7
127.03941	5.6
127.11203	4.9
131.04956	3.9
131.11832	4.3
135.04359	3.6
135.07985	5.4
135.11667	12.3
136.07570	5.8
137.00528	17.4
144.08078	9.8
145.10092	5.7
146.06001	31.2
147.04410	5.6
147.11671	4.2
150.05490	4.3
152.07043	4.3
153.12724	28.9
161.09599	4.6
162.05501	6.5
164.07108	3.5
166.04999	7.4
170.08093	8.4
171.13760	6.1
173.13225	4.8
182.04407	3.6
182.08151	8.3
188.07021	43.8
207.07823	5.8
207.11433	3.5
208.06062	7.6
218.02568	3.9
280.02652	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.5
55.01871	2.8
55.05507	14.6
57.03423	6.4
57.07083	3.7
65.03916	2.0
65.30278	2.1
67.05499	46.7
69.07056	12.5
69.55302	18.2
71.04977	3.2
71.08618	7.1
74.37240	1.9
76.06626	1.9
79.05486	57.1
81.03417	2.4
81.07047	55.8
83.04975	3.2
83.08605	8.5
85.06540	3.1
88.72262	2.1
91.05468	66.2
93.07034	70.4
95.04945	6.4
95.08589	38.2
97.06525	4.3
97.10184	3.2
99.08085	11.6
105.07015	62.4
107.04910	2.5
107.08588	47.3
109.10147	13.0
111.08093	2.3
117.07020	13.7
119.08567	63.1
121.10129	37.2
123.08093	3.5
123.11710	3.2
125.09570	4.1
126.32032	2.3
129.07016	13.1
131.08559	23.0
133.09167	4.4
133.10117	53.1
135.08078	2.8
135.11674	29.9
137.09628	1.9
143.08565	13.7
145.10097	24.7
147.11676	55.3
149.09601	4.5
149.13249	23.2
151.11174	6.0
157.10074	10.1
159.11708	23.7
161.13248	42.7
163.11140	4.7
163.14854	7.9
171.11693	18.5
173.13203	13.1
175.14764	15.5
177.12750	3.4
185.13245	17.3
187.14839	4.6
189.12695	2.5
189.16409	2.3
199.14836	6.2
203.14322	3.4
213.16420	4.2
217.19489	3.1
231.17464	4.0
231.21077	9.0
241.19466	38.9
242.19742	2.6
259.20544	100.0
260.20923	6.3
277.21603	6.3
281.80521	2.4
333.24091	2.4
351.25287	61.2
352.25653	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
54.57421	1.0
54.82785	1.0
55.01863	1.2
55.05504	18.4
57.03429	10.2
57.07059	2.9
65.03938	1.3
67.05499	47.9
69.07058	16.4
69.18096	1.2
69.64548	5.9
69.64951	2.9
71.04988	2.6
71.08602	1.6
75.04458	3.8
75.60094	0.9
77.03905	1.3
79.05486	73.0
81.07047	58.9
81.07529	2.7
82.07366	1.1
83.04971	2.3
83.08623	7.0
85.06525	3.2
91.05466	54.0
93.07033	100.0
94.07345	1.8
95.04965	7.4
95.08595	42.7
96.08963	1.3
97.06509	3.1
97.10148	4.8
99.08064	5.2
103.84516	1.1
105.04453	1.2
105.07016	62.4
107.08582	60.2
109.06553	2.4
109.10136	19.2
111.08057	2.7
115.05376	1.2
117.07003	13.8
119.08562	55.9
120.08855	1.4
121.10136	48.0
122.10527	1.2
123.08054	1.5
123.11692	4.5
125.09624	1.6
128.06139	1.5
129.07016	8.7
131.08556	20.5
131.09457	2.0
133.10117	48.3
135.07994	1.8
135.11674	50.3
136.11989	1.1
137.09586	2.6
137.84569	1.0
139.11174	1.1
142.07776	1.0
143.08540	7.9
144.09047	0.9
145.10106	21.1
147.08058	1.5
147.11667	53.8
149.09621	3.2
149.13248	32.0
149.14445	1.8
151.11172	2.4
157.10103	10.2
159.11679	20.5
161.09583	1.5
161.13237	37.4
162.13600	2.1
163.11151	3.4
163.14801	10.1
165.12860	1.1
171.11671	11.5
173.13281	10.6
175.11137	1.7
175.14813	17.5
175.16391	1.6
177.12733	4.0
177.16400	1.5
179.14297	3.2
185.13258	16.6
187.14821	3.0
189.12746	3.2
189.16417	2.3
191.14311	1.9
198.61705	1.1
199.14780	8.4
201.16379	1.7
203.14317	1.9
213.16336	5.1
215.18011	1.7
217.15903	2.3
217.19502	3.2
218.05676	1.2
221.15340	1.6
231.17441	1.5
231.21048	8.8
235.16826	1.7
241.19479	40.2
242.19826	1.5
259.20547	94.8
260.20929	3.9
267.66895	1.1
270.01382	1.1
277.21616	16.7
314.93634	1.1
333.24252	9.7
351.25272	71.0
352.25687	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
53.77454	1.9
55.05499	17.8
57.03421	6.8
65.03935	2.8
67.05492	53.6
69.07052	16.6
69.59085	13.3
69.59495	3.8
70.30072	1.7
71.04990	3.6
71.08611	3.1
75.04459	3.3
79.05019	3.9
79.05480	64.5
81.07046	53.5
81.07390	1.2
83.08600	7.3
85.06521	5.2
91.05463	64.1
91.50368	2.0
93.07026	95.9
95.04941	7.5
95.08588	39.9
97.10168	3.1
98.21412	2.8
99.08073	7.1
105.04482	3.4
105.07013	80.7
107.08574	50.7
109.10146	12.6
111.08094	2.1
113.09605	3.5
117.07006	18.6
119.08555	66.9
121.10121	43.1
123.11677	2.7
129.06985	11.9
131.08557	26.2
133.10110	51.4
135.11667	36.9
142.07733	3.5
143.08493	13.1
145.10095	29.0
147.11664	63.4
149.09685	3.2
149.13269	20.8
151.11143	2.6
157.10121	11.7
159.11699	23.9
161.13240	34.5
163.11143	4.1
163.14804	4.9
171.11673	15.5
173.13242	11.4
175.11176	2.8
175.14806	19.9
177.12822	2.2
179.14328	3.0
179.66527	2.0
185.13220	17.9
187.14812	4.4
188.94060	2.3
189.12680	2.7
199.14807	5.7
203.14157	2.3
213.16412	7.3
231.17439	2.5
231.21022	9.0
241.19470	36.2
259.20544	100.0
260.20807	3.3
277.21579	7.4
333.24197	4.1
351.25250	57.4
352.25677	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
55.01858	3.3
55.05502	19.5
57.03427	18.9
57.07059	3.6
59.45005	0.9
60.36634	0.9
62.67715	0.9
64.69670	1.0
65.03921	2.3
67.05493	51.0
69.03429	1.6
69.07055	18.9
69.67220	2.2
69.67625	7.4
71.04951	2.1
71.08621	55.5
73.70269	0.9
77.03920	1.2
78.40498	0.9
79.05479	44.8
79.82186	1.1
81.03416	8.5
81.07044	52.3
81.39218	0.9
82.07370	1.1
83.04965	12.0
83.08601	12.3
85.06535	3.0
91.05467	33.1
93.07030	56.8
94.07345	0.9
95.04951	11.3
95.08591	35.0
97.06506	10.1
97.10155	3.9
99.08080	37.2
105.07011	22.0
107.04955	7.4
107.08570	29.6
107.97451	1.0
109.06506	4.9
109.10132	15.5
111.08092	3.0
113.09633	3.3
115.05437	1.0
117.06998	5.0
118.50362	1.1
119.08562	20.2
121.06466	1.0
121.10124	25.7
123.08052	2.6
123.11687	2.5
125.09623	1.3
127.11160	1.8
129.06961	2.6
131.08571	5.4
133.10117	15.7
135.08096	1.0
135.11671	35.0
136.11867	1.2
137.09566	4.6
137.13213	1.5
141.09099	4.1
143.08542	2.6
145.10138	4.7
147.11688	6.2
149.13232	11.6
151.11156	19.4
153.12704	1.5
157.10075	2.3
159.11716	5.5
161.13214	16.1
163.11157	6.7
163.14827	1.9
165.12733	1.7
167.10669	3.0
171.11630	2.0
173.13264	2.0
174.75191	1.0
175.14813	2.0
177.12761	3.9
179.14282	100.0
180.14668	2.9
185.13266	2.8
189.12740	2.6
189.16377	1.1
199.14771	2.2
207.13914	2.0
213.16168	1.3
215.37164	1.0
221.15338	2.7
231.21066	1.1
235.16808	5.8
241.19502	2.6
259.20459	5.7
277.21591	36.0
278.21765	0.9
351.25281	24.8
351.29895	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.01871	2.7
55.05503	18.9
57.03416	9.5
57.07066	5.1
65.03950	2.5
67.05492	55.8
69.07053	15.7
69.62569	9.1
69.62998	7.6
71.04990	3.2
75.04458	2.7
77.03919	2.4
78.65490	1.6
79.05484	70.1
81.07045	59.5
83.08604	10.3
85.06537	6.1
89.37777	1.6
91.05462	58.1
93.07030	100.0
93.77451	1.7
95.04955	7.1
95.08588	44.4
97.06526	4.9
97.10165	4.3
99.08073	4.4
105.04451	2.4
105.06328	3.9
105.07016	64.4
107.08577	61.2
107.09315	1.7
109.06454	3.7
109.10137	14.5
117.06998	14.0
119.08563	59.8
121.10130	42.6
123.11691	3.9
128.06287	1.9
129.06985	8.3
129.74327	1.6
131.08557	22.7
133.09169	3.8
133.10110	52.8
134.79352	1.6
135.08018	2.0
135.11670	43.3
135.12650	3.1
137.05899	2.6
137.09607	2.4
139.11090	2.0
143.08548	13.0
144.09315	2.4
145.10110	22.4
147.11665	45.1
149.09579	2.1
149.13235	26.6
151.11258	1.8
157.10049	10.6
159.11632	17.4
161.13232	37.3
163.11160	5.3
163.14803	7.0
167.10606	1.8
171.11667	13.7
172.07329	1.7
173.13208	10.9
175.11299	3.8
175.14795	20.9
177.12767	4.5
185.13220	14.2
187.14767	4.1
189.12679	3.5
189.16309	2.3
199.14757	5.6
203.14349	2.4
207.74605	1.8
213.16373	6.4
213.74156	1.6
217.15718	1.8
217.19511	7.5
231.17467	5.2
231.21077	9.4
241.19429	32.8
259.20544	96.6
260.20868	3.8
277.18839	2.5
277.21591	17.6
312.54523	1.8
333.24179	6.9
351.25272	54.6
352.25473	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	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94195	1.6
53.03936	5.7
55.01872	3.3
55.05505	18.7
55.37998	1.6
57.03431	11.1
57.07047	4.3
65.03925	3.1
67.05494	56.6
68.05807	2.2
69.07063	13.8
70.23567	8.1
71.04966	3.7
71.08607	5.3
75.04454	2.5
79.05016	3.8
79.05480	74.3
81.03394	1.7
81.07042	68.5
82.07354	2.1
83.04956	4.0
83.08611	9.3
85.06506	4.0
91.05461	64.0
93.07030	100.0
95.04943	7.6
95.08002	3.6
95.08588	43.1
97.06498	5.6
97.10184	3.6
99.08076	5.8
104.90288	1.7
105.07017	62.3
105.07719	3.1
107.08575	57.7
109.06552	2.4
109.09630	1.4
109.10160	15.8
110.56621	1.6
111.08088	2.9
117.06990	10.8
118.76727	1.8
119.08561	58.3
121.06499	1.9
121.10133	47.5
123.11670	3.4
129.06956	10.9
129.27759	1.8
131.08539	21.2
133.10118	51.3
134.10410	2.3
135.07994	3.6
135.11670	47.6
137.09583	3.6
139.11185	1.7
143.08507	8.5
145.10110	21.4
147.11655	49.3
148.12036	1.8
149.09581	3.0
149.13232	29.0
151.11107	2.4
153.64703	1.7
157.10144	11.3
159.11662	19.1
161.13231	45.0
163.11153	5.2
163.14793	12.7
165.12814	1.9
171.11661	15.4
173.13248	11.9
175.11264	2.8
175.14790	17.7
177.12718	4.4
179.14319	5.7
185.13213	14.8
187.14809	3.5
189.12804	3.0
191.14328	2.1
199.14792	7.8
203.14285	2.4
207.13800	2.1
213.16331	4.0
217.19504	7.0
221.15408	1.9
225.02718	1.8
231.17467	2.7
231.20949	11.2
241.19487	37.0
242.19801	1.9
259.20547	96.1
260.20901	5.4
273.87332	1.9
277.21616	22.6
333.24103	11.2
351.25253	58.7
352.25604	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	351.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.8
55.01853	2.7
55.05499	16.1
56.41378	1.6
57.03421	5.3
57.07069	4.3
67.05491	37.3
69.07067	14.0
69.91095	11.2
71.04986	2.4
71.08588	2.2
79.05479	54.5
81.07040	46.5
83.08611	4.7
85.06519	3.7
86.68693	1.5
91.05462	55.1
93.07029	74.4
95.04961	6.8
95.08585	25.7
97.03320	1.7
97.06514	4.2
97.10119	2.8
99.08079	7.1
105.07008	60.8
107.04958	2.2
107.08579	47.5
109.10153	12.1
113.09636	3.0
114.97924	1.9
117.06991	16.4
119.08569	52.8
121.10114	30.5
123.11689	3.5
128.06230	1.8
129.06969	9.8
131.08542	19.6
133.08528	2.2
133.10110	42.6
135.11674	35.7
135.84584	1.8
143.08556	10.2
145.10077	22.0
147.08151	1.8
147.11670	48.3
149.09570	2.8
149.13232	20.5
151.11212	3.0
157.10083	13.0
159.11658	18.3
161.13220	35.7
163.11143	2.9
163.14790	5.0
171.11673	12.7
173.13170	10.0
175.14787	19.4
177.12659	3.6
179.14279	4.3
185.13258	16.4
187.14786	3.7
189.12674	4.3
199.14803	5.9
203.14343	2.9
213.16400	5.2
217.15735	1.9
217.19585	2.8
224.18179	1.8
226.99625	1.7
231.17447	3.5
231.21086	9.4
241.19473	32.3
259.20541	100.0
260.20966	2.5
270.31393	2.0
277.21588	4.9
351.25229	51.4
352.25513	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.4
53.31899	2.8
55.01865	15.6
55.05503	28.1
57.03434	35.0
57.07067	3.0
65.03931	3.0
66.51565	2.4
67.05141	4.5
67.05492	79.3
69.07059	51.6
69.63808	7.1
69.64231	16.3
71.04959	7.7
71.08598	5.4
79.05482	70.8
81.03414	3.4
81.07043	100.0
83.04983	5.6
83.08216	2.6
83.08613	24.9
85.06506	8.1
91.05466	52.3
93.07031	91.2
95.04974	14.0
95.08002	5.0
95.08593	77.5
97.06510	17.4
97.10155	7.3
98.58040	2.5
99.08067	10.6
103.05512	2.9
105.07010	63.2
107.04868	3.2
107.08579	52.5
109.06496	7.1
109.10135	30.5
111.08057	10.8
117.07004	16.2
119.08566	55.4
121.06467	3.2
121.10123	48.0
123.08055	7.3
123.11671	5.5
125.09636	6.8
128.06175	3.0
129.06984	9.0
131.08557	24.6
133.10103	41.2
135.08006	4.5
135.11658	31.1
137.09586	4.8
143.08554	7.0
145.10103	23.8
147.11668	51.5
149.09610	4.6
149.13223	24.3
149.80992	3.1
151.11176	6.1
157.10086	7.8
159.11705	20.2
161.13231	29.4
163.11174	4.6
163.14764	8.6
165.12724	7.4
171.11703	14.7
173.13237	11.2
175.11169	4.3
175.14795	10.8
177.12650	3.0
179.14348	3.6
185.13271	9.2
187.14825	10.3
189.12714	6.2
199.14784	5.8
205.15858	4.9
207.13779	4.2
212.49083	2.8
213.16322	4.5
221.19077	4.3
231.21008	6.3
241.19467	20.7
259.20563	62.2
277.21564	35.0
333.24271	6.1
351.25272	90.5
352.25720	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	352.196
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	6.0
67.05474	22.1
69.03407	10.3
69.52386	61.6
70.06563	7.1
71.04986	6.9
71.11484	6.3
72.08121	18.3
79.05476	71.8
81.03400	7.9
81.07039	15.9
85.02885	27.7
86.09663	8.7
91.05458	22.3
93.07012	13.4
94.26559	5.6
94.76603	5.3
95.04967	6.6
95.08590	22.3
97.02893	11.7
97.06526	36.6
98.21548	6.6
98.40806	5.9
99.04416	5.9
107.08600	27.9
107.41541	6.6
109.02882	8.7
109.10124	24.3
112.61176	6.5
116.98550	6.1
117.07069	5.6
119.08562	50.2
120.08079	27.3
125.09605	35.6
136.07509	7.2
137.09596	100.0
145.04912	8.2
155.10605	50.2
166.08578	14.0
190.08560	14.3
200.25212	5.8
203.03500	6.9
232.57390	5.8
288.27795	6.3
304.07538	6.8
304.70059	6.7
333.40338	6.4
352.17258	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	353.0839
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
55.33405	4.8
55.55853	4.6
62.10107	3.7
65.09799	4.0
69.80132	3.8
70.07138	17.8
70.07554	6.5
84.97099	4.2
98.21382	5.0
118.55271	4.0
119.96419	3.9
141.87297	4.7
167.64453	4.6
168.34834	4.8
213.47311	3.9
230.86653	4.6
353.08417	100.0
354.08777	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	353.1013
Annotation	Rubiginone D2
Peak:m/z	Relative Intensity
51.06646	1.6
54.78468	1.6
55.01866	21.7
59.40775	1.7
59.56506	1.6
66.46731	1.5
69.87918	9.3
79.05476	5.0
81.07027	1.9
86.24531	1.9
89.03905	2.3
95.04926	2.5
103.05441	16.5
105.03358	2.4
115.05422	9.5
117.03383	1.8
117.06995	2.5
122.72618	1.5
125.66057	1.5
127.05457	1.7
130.09596	1.6
131.04893	28.4
135.04396	71.2
143.04895	15.0
145.02914	2.2
145.06506	2.5
147.04396	20.0
147.43573	1.6
149.02348	11.4
151.03897	2.4
155.04898	20.8
157.02917	2.4
159.04384	32.9
161.05966	17.7
163.03914	6.6
165.07002	6.4
173.05956	16.5
175.03900	9.7
175.07619	1.7
177.06905	2.7
179.08589	2.1
183.04364	5.3
185.05981	16.7
187.03854	8.4
189.05478	3.4
189.06981	6.7
190.07738	3.9
191.08540	14.7
193.06499	4.6
194.07166	1.9
201.05435	100.0
202.05705	2.4
203.06895	2.2
205.06473	8.1
209.06013	2.9
210.71912	1.5
213.05424	9.8
217.06532	2.3
218.07300	2.2
219.08046	28.5
221.05945	6.2
222.06688	17.4
223.07523	17.6
231.06435	7.6
233.05995	4.3
235.07491	14.3
247.07478	17.3
248.07974	1.7
249.09035	15.8
250.06232	10.2
251.06993	13.4
259.07529	9.1
262.06226	4.7
263.07098	7.6
266.05676	3.3
267.06451	1.9
275.06992	13.3
277.08585	21.1
279.06555	6.0
280.07275	52.8
281.08017	20.5
291.06549	1.9
292.07352	4.1
293.08002	15.1
294.08530	1.9
302.03979	1.6
305.08084	31.9
306.08426	2.0
307.09619	22.1
308.09952	2.2
317.08063	6.1
323.09125	3.9
335.09082	84.7
336.09372	8.1
351.86960	1.8
353.10199	21.5
354.10376	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1014
Annotation	Savinin
Peak:m/z	Relative Intensity
51.02369	0.5
53.03938	0.7
55.01852	0.8
55.05490	0.9
57.07057	0.5
58.57968	0.3
65.03900	0.3
67.05501	2.4
69.07045	0.5
71.08604	0.8
77.03912	0.6
79.05488	4.4
81.03389	0.3
81.07046	2.9
85.29359	0.3
89.83876	0.3
91.05459	1.2
93.07030	1.9
95.04948	1.2
95.08578	2.7
98.21484	0.5
99.08068	0.5
103.05458	0.5
105.03372	0.8
105.07028	0.9
107.08579	1.4
109.10140	1.3
110.82246	0.3
113.09586	0.3
115.05446	2.3
117.07001	1.4
119.08556	1.4
121.10114	1.2
123.11680	0.3
131.04948	1.1
131.08549	0.7
133.10118	1.0
135.04395	100.0
135.11647	1.0
136.04745	2.2
143.04904	3.5
143.08539	0.4
145.06476	0.5
145.10100	1.3
147.04388	0.7
147.11668	0.4
149.02319	10.9
149.03357	0.4
149.05994	0.3
149.13252	0.7
150.02748	0.4
151.14893	0.3
155.04898	0.5
159.04440	0.5
159.11684	0.7
161.05925	0.7
162.78503	0.3
163.03926	0.3
165.06895	0.4
173.05951	2.6
173.13313	0.7
175.07324	0.3
175.14690	0.4
179.14189	0.3
185.05911	0.6
187.14714	0.4
189.07072	0.4
191.08575	0.4
201.05463	4.9
203.07042	3.2
219.07925	0.9
223.07446	0.4
235.07463	0.5
243.21049	0.4
247.07452	0.7
249.09210	0.4
250.06171	0.5
261.22229	1.5
262.06161	0.3
263.07040	0.4
277.08624	0.5
280.07260	1.3
293.07877	0.3
305.07941	1.3
307.09637	0.6
307.24243	0.6
323.09103	9.5
324.09418	0.5
335.09094	2.0
339.11920	0.3
353.10156	19.8
353.24564	1.8
354.10403	1.2
379.06378	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.05495	0.5
57.45918	0.4
63.93184	0.3
69.03409	1.5
69.07048	0.8
70.12660	2.1
71.04979	0.4
79.05486	0.8
81.03423	0.3
81.07040	0.5
83.04943	0.5
83.08582	0.4
85.02872	0.6
91.05445	0.8
92.79665	0.3
93.07019	1.3
95.04940	1.0
95.08599	0.6
97.02879	0.9
97.06533	0.5
105.06982	1.0
107.08559	2.3
109.06499	0.7
119.08557	1.1
121.06491	0.7
121.10128	1.8
123.08080	1.0
125.05903	0.4
127.03941	0.6
131.08551	0.7
133.10092	1.0
135.04457	0.4
135.08022	1.0
135.11684	0.8
145.10101	0.7
147.11647	1.0
148.79651	0.3
149.09561	0.4
149.13226	1.1
151.07478	0.6
163.14830	0.6
173.13206	1.3
175.14774	1.2
185.04160	0.6
191.06816	1.6
191.14297	4.2
203.05234	1.1
209.15408	0.4
273.05679	0.4
303.65936	0.4
321.11118	0.7
353.12015	100.0
354.12442	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.12
Annotation	Unknow
Peak:m/z	Relative Intensity
63.25183	0.7
67.05460	0.8
71.14919	1.3
71.15259	1.2
81.07055	1.0
87.64350	0.7
101.58779	0.6
105.07011	1.0
107.04939	0.6
107.08572	0.8
118.06544	3.0
119.08487	0.7
123.08072	1.1
135.08009	0.8
137.04739	0.6
143.07312	0.8
144.08052	1.9
146.05986	5.4
146.64600	0.6
148.07579	1.2
166.08623	10.3
169.34520	0.6
173.05737	3.2
174.75627	0.6
177.05452	0.8
185.04190	6.1
188.07071	5.5
203.05246	27.0
218.99365	0.7
231.04730	13.0
233.09337	0.7
353.11966	100.0
354.12247	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	353.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89570	0.4
55.99887	0.5
57.03411	0.8
57.07073	0.4
67.05499	0.6
69.03416	1.7
69.07046	1.2
70.06595	0.6
70.83681	0.5
70.84026	1.1
81.03398	0.6
81.07027	1.0
83.04961	0.7
83.08604	0.6
84.08170	0.5
85.02882	2.0
85.06521	0.5
90.25294	0.5
91.05454	0.8
93.07017	1.0
95.04948	0.8
95.08560	1.1
97.02867	0.7
99.04465	0.5
105.07023	1.2
107.08582	1.4
109.06513	0.8
109.10155	0.5
118.06523	1.9
119.08569	0.6
121.06437	0.4
121.10105	1.5
123.08030	0.9
127.03889	0.7
131.08571	0.6
133.06453	0.5
133.10089	0.8
135.08020	1.2
137.19121	0.5
143.07332	0.5
144.08054	1.0
146.05991	5.1
147.11679	0.5
149.09563	0.8
163.14758	0.9
166.08630	6.9
170.06017	0.5
173.05713	2.3
173.13222	1.1
185.04196	6.9
188.07045	3.4
191.06752	0.6
191.14287	6.8
203.05243	23.5
231.04713	13.8
280.34015	0.5
353.11993	100.0
354.08380	0.4
354.12183	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41461	0.5
53.03926	0.6
55.01829	1.3
55.05459	0.9
57.03384	0.8
57.07015	0.8
58.63835	0.5
66.90171	0.6
67.05433	3.0
69.03361	2.3
69.03680	0.5
69.07053	3.1
71.04929	3.1
71.08575	0.8
71.14051	0.6
71.70164	1.1
72.08109	0.7
73.02885	0.9
79.05416	1.8
81.03354	1.6
81.07042	13.0
83.04914	1.4
85.02872	3.5
85.06533	4.2
86.09644	1.1
91.05459	4.2
93.06969	2.4
95.04906	1.9
95.08014	0.7
95.08578	9.0
97.02824	1.6
97.06525	0.7
97.10069	0.7
99.08024	2.0
103.03905	1.0
105.06949	2.6
107.08527	2.6
109.02824	1.3
109.06441	0.8
109.10094	1.6
115.05392	2.7
117.07001	3.1
118.06519	35.1
119.04843	0.7
119.06803	0.7
119.08553	3.5
120.08046	0.6
120.75684	0.6
121.06444	1.8
121.10058	1.2
123.06698	0.7
123.07996	0.8
124.07530	0.7
127.03886	1.4
130.06464	2.5
131.08482	1.4
132.08058	0.7
133.05173	2.5
133.10063	1.4
134.05975	1.3
135.04337	0.6
135.07993	1.9
135.11626	0.6
136.07512	0.7
137.09608	0.9
137.13249	3.2
142.06505	2.9
143.07263	3.9
144.08064	17.9
145.06419	1.2
145.10042	1.9
146.05978	75.3
147.06290	1.6
147.11615	1.8
148.07541	19.3
148.47853	0.7
149.07851	0.7
149.09557	1.5
150.05452	2.0
152.07031	2.2
155.14268	9.6
160.07507	1.8
161.05852	0.6
163.03827	1.3
163.08647	1.3
163.11131	1.0
166.08604	100.0
167.08937	2.4
170.05981	6.0
173.09590	1.6
173.13228	1.7
173.15331	5.9
175.11148	0.6
175.14824	0.9
187.07593	0.6
188.07030	66.3
189.07364	2.3
191.10666	1.0
191.14294	4.7
191.16380	1.9
203.10728	0.7
206.08034	1.3
224.09212	2.4
225.08684	0.9
244.03316	0.6
321.11060	1.3
335.12292	1.1
353.15176	36.0
353.19302	1.2
354.15167	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	353.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
54.15627	0.9
55.01854	1.0
55.05502	16.2
57.03423	4.9
57.07062	5.2
58.50761	1.0
65.03924	2.4
67.05494	94.7
69.07056	12.7
70.41976	3.4
71.04977	4.5
75.04453	2.1
79.05480	47.2
81.07043	100.0
82.07370	1.1
83.08598	6.6
85.06528	2.3
91.05460	21.1
93.07032	61.3
95.04942	4.7
95.08591	70.6
96.90779	1.0
97.06493	3.1
97.10147	4.0
99.08067	3.4
105.07014	18.9
105.85071	0.9
107.08578	42.2
109.10139	36.5
111.11739	1.1
117.07008	9.6
119.08565	18.1
121.10127	36.6
123.08050	1.6
123.11690	19.2
129.07018	1.1
131.08543	20.4
133.10104	14.1
135.11668	25.8
137.13243	7.4
139.11206	1.3
144.09296	1.1
145.10095	16.1
147.11668	10.1
149.13254	20.3
151.11208	1.3
151.14746	1.2
151.28896	1.1
153.12726	1.5
159.11681	16.9
161.13225	9.0
163.14766	12.5
163.15820	1.2
165.12782	1.4
173.13234	18.7
175.14870	2.3
177.12715	1.2
177.16344	4.1
179.14291	1.5
187.14812	9.2
189.16434	1.1
201.16272	2.6
205.15904	1.2
219.17470	1.1
233.22639	3.8
243.21053	23.1
244.21356	1.6
253.41202	0.9
261.22101	95.1
262.22458	5.1
263.23694	1.8
279.23077	3.8
281.10559	3.0
335.25775	5.9
353.26810	22.2
353.31198	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77015	2.1
55.05504	14.1
56.12836	2.2
57.03426	4.8
57.07053	5.7
65.03937	4.2
67.05495	89.4
69.07059	12.3
69.64803	7.9
69.65221	9.7
71.08609	4.1
79.05481	54.6
81.07043	100.0
83.08593	10.0
85.06514	4.7
89.17938	2.0
91.05477	29.6
91.11636	2.3
92.05835	2.6
93.07030	62.6
95.04935	5.1
95.08006	4.4
95.08595	79.5
96.08872	2.6
97.06496	4.3
97.10188	3.8
99.08057	5.4
105.07008	18.6
107.08574	42.1
109.06458	2.1
109.10137	30.8
111.08089	2.5
115.05412	2.1
117.07014	9.7
119.08549	14.5
121.10114	33.1
123.08046	3.7
123.11719	14.5
131.08539	25.4
133.10081	10.0
135.11678	29.6
137.13196	10.7
145.10118	13.1
147.11676	8.3
149.13229	22.1
151.14799	2.8
159.11667	16.2
161.13222	7.0
163.11151	2.4
163.14816	17.7
165.12711	2.5
173.13220	14.3
175.14810	2.6
177.16339	5.6
187.14868	10.5
233.22588	6.6
243.21075	30.1
244.21428	2.8
261.22083	70.9
262.22305	5.6
279.23053	2.9
335.25717	9.3
353.26910	5.9
372.19974	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	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03933	2.5
55.01846	1.3
55.05502	17.7
57.03414	4.1
57.07066	6.8
65.03912	3.8
65.07594	1.1
65.48696	1.0
67.05495	100.0
68.05828	2.3
68.69922	1.0
69.07053	15.5
70.96885	2.6
71.04973	1.4
71.08614	5.3
79.05481	61.9
80.05794	1.6
81.07043	98.3
82.07362	1.6
83.04948	2.9
83.08614	7.8
85.06509	4.8
85.10151	2.0
91.04926	1.9
91.05467	31.1
91.06036	1.6
92.05790	1.6
93.07032	78.7
94.07360	2.6
95.04942	4.8
95.08591	74.4
96.08920	1.6
96.14644	1.1
97.06493	5.2
97.10146	3.5
99.08078	5.8
105.07012	22.2
107.08576	48.1
109.06488	2.0
109.10138	29.1
111.08081	2.9
113.09618	3.5
117.06998	11.8
119.08540	15.6
121.10125	34.0
123.08146	1.1
123.11685	15.1
131.08549	27.5
133.10118	11.9
135.07988	1.6
135.11673	27.8
137.09624	2.1
137.13220	7.5
139.11201	1.2
145.10121	16.5
147.11661	12.7
149.09700	1.2
149.13228	26.0
151.14799	4.8
153.12775	2.4
159.11679	12.0
161.13278	12.4
163.11121	1.8
163.14809	18.1
165.16418	1.6
173.13252	19.4
175.14822	5.4
177.12720	2.6
177.16396	7.6
187.14764	9.8
191.14211	2.1
201.16335	3.0
205.15878	2.3
215.17908	1.7
233.19073	2.0
233.22633	7.5
243.21040	35.5
261.22110	82.4
262.22528	2.6
277.39087	1.2
279.23166	2.8
335.25705	5.9
353.27081	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	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.93128	0.9
53.03926	1.9
54.29480	0.9
55.05272	1.2
55.05505	13.9
57.03427	7.1
57.07069	4.3
61.60063	0.8
65.03917	2.3
67.05495	90.9
69.07054	11.0
71.04967	2.7
71.08628	1.1
75.04473	1.8
75.96742	0.7
79.05484	41.0
81.07045	100.0
82.07360	1.2
83.04956	1.4
83.08604	6.5
85.06515	1.3
85.52519	0.9
91.05463	19.3
93.07031	49.3
95.04942	3.2
95.08591	74.2
96.08905	1.3
97.06500	2.3
97.10163	3.0
99.08078	1.8
105.06320	1.3
105.07017	16.9
107.08580	31.4
109.06497	2.4
109.10139	37.5
111.08076	2.2
113.09618	1.2
117.07014	8.0
119.08571	12.9
121.10126	29.1
123.08049	1.9
123.11690	22.8
125.09646	1.2
127.11182	1.2
131.08546	19.9
133.10114	12.7
135.11676	24.0
137.09561	1.5
137.13231	8.3
139.11142	1.8
145.10107	14.2
147.11653	10.6
149.13242	17.9
150.98399	0.9
151.11183	1.0
151.14790	2.7
153.12674	1.8
159.11673	12.1
159.76137	1.0
161.13261	9.3
163.11137	1.3
163.14841	11.9
165.12695	1.9
172.49156	0.9
173.13263	14.5
175.14850	2.6
177.12735	1.5
177.16385	4.2
179.14195	1.9
187.14798	10.2
191.14235	1.2
201.16325	3.0
204.85645	1.0
205.15799	1.4
219.17424	1.1
229.33009	1.2
233.22617	2.6
243.21062	21.8
244.21373	1.1
261.22113	85.3
262.22455	3.9
263.23746	1.4
279.23215	6.8
317.24713	1.2
335.25751	11.8
353.26865	24.1
354.27298	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03927	2.3
53.63169	1.5
55.05498	12.0
57.03426	5.4
57.07067	3.8
63.07390	1.7
65.03930	3.1
67.05496	91.7
68.05823	3.0
69.07062	11.9
70.02335	11.1
71.04983	3.0
71.08583	1.9
77.97207	1.7
79.05482	39.7
81.07046	100.0
83.08591	8.9
91.05463	16.9
93.07030	47.5
93.07586	3.3
95.04968	2.3
95.08595	70.4
96.08926	2.3
97.06508	3.6
97.10172	3.1
105.07029	14.5
107.08579	37.7
107.09245	3.2
109.10142	38.8
109.97684	1.7
110.10441	2.1
117.07030	6.5
119.08559	14.4
121.10130	30.1
123.11699	17.6
131.08548	15.4
133.10126	14.0
135.11676	28.0
137.09648	1.7
137.13214	7.8
145.10104	13.2
147.11687	7.7
149.13229	20.5
151.14748	1.9
153.12668	1.9
159.11650	11.3
161.13228	10.7
163.14781	11.8
173.13242	13.9
175.14830	2.4
177.12834	2.1
177.16310	4.1
187.14812	8.2
191.14403	2.6
205.15848	2.6
233.22664	2.9
243.21071	18.4
261.22113	82.7
262.22455	5.1
279.23227	6.7
311.40680	1.9
317.25085	1.7
332.26379	1.9
335.25867	7.3
353.26813	19.3
354.27408	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.4
55.05505	16.1
55.82060	2.0
57.03421	5.7
57.07060	3.5
65.03914	2.9
67.00384	1.7
67.05495	100.0
69.07052	14.3
69.59978	15.0
69.60376	3.5
71.04982	2.5
75.04481	1.7
79.05019	2.9
79.05485	53.3
81.07043	100.0
81.69403	1.8
82.07336	1.9
82.62619	1.9
83.08596	7.7
85.06525	3.4
91.05466	27.8
93.07027	67.1
94.07365	2.6
95.04938	6.9
95.08591	69.0
97.06526	3.4
97.10140	3.8
98.21430	3.0
99.08046	3.2
105.07024	16.2
105.71562	2.0
107.07914	2.8
107.08584	43.6
109.10149	39.9
117.06980	8.4
119.08559	16.8
121.10127	33.7
123.11010	1.8
123.11710	21.0
131.08553	24.7
133.10118	12.5
135.11693	28.3
135.12683	3.4
137.13246	7.5
141.33167	1.9
145.10118	16.6
147.11652	8.4
149.13235	22.7
151.14699	2.4
154.60310	1.7
159.11667	15.5
161.13194	9.1
163.14827	12.5
173.13251	15.6
175.14784	2.8
177.16383	4.7
178.97601	1.7
179.14336	1.7
187.14824	8.4
188.22630	1.8
195.78912	1.6
201.16396	3.3
205.15851	1.8
233.22633	4.9
243.21057	18.3
261.22116	95.4
262.22412	6.6
279.23264	2.7
335.25696	4.3
353.26910	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	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03949	4.1
55.05503	18.3
57.03421	9.5
57.07060	5.4
57.62946	2.8
67.05493	91.4
67.57873	3.2
69.07045	14.1
69.69135	19.3
69.69540	5.9
75.04501	3.3
79.05480	44.3
81.07041	100.0
82.07371	4.0
83.08599	8.2
91.05468	19.5
93.07030	50.9
95.08593	68.9
98.20734	5.4
105.07018	13.5
107.08590	29.9
109.10128	40.1
113.74167	2.9
117.06950	6.0
119.08567	12.1
121.09525	2.7
121.10159	28.5
123.11681	24.4
131.08522	18.8
133.10106	16.7
135.11652	20.8
137.13235	8.8
145.10104	13.6
147.11684	9.4
148.67099	3.2
149.13232	15.8
151.14871	3.6
159.11652	13.4
161.13252	6.4
163.14839	14.3
163.58183	3.0
173.13258	13.7
187.14804	7.3
209.86264	3.6
243.21075	18.4
261.22098	84.5
262.22348	3.3
279.23215	5.3
335.25784	10.9
353.26880	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	10.5
57.03423	4.9
57.07057	3.7
65.03928	2.3
67.05494	79.8
69.07063	12.5
70.12457	7.0
71.04972	3.8
71.08646	1.3
76.83628	1.1
79.05482	36.9
81.07046	85.4
83.04997	2.7
83.08601	8.4
85.06546	1.8
86.21915	1.5
91.05472	21.7
93.07030	54.3
95.04951	2.2
95.08595	63.2
96.08971	1.7
97.06511	3.2
97.10149	3.3
98.20740	2.0
99.08096	3.3
105.04485	1.5
105.07008	16.5
107.08584	37.7
108.08965	1.9
109.10141	33.8
111.08029	2.4
111.11653	1.8
113.09642	1.7
114.39597	1.2
117.07005	10.5
119.08568	14.1
121.10136	34.2
123.08067	1.6
123.11699	22.3
131.08543	22.6
131.09445	1.9
133.10109	12.1
133.32536	1.4
135.11684	30.5
137.09636	1.7
137.13281	9.3
139.11201	1.5
145.10094	16.2
146.10536	1.4
147.11661	9.1
149.13245	22.8
151.14799	4.1
159.11665	14.8
161.13228	10.6
163.14787	14.7
165.12813	1.4
173.13222	18.0
175.14828	4.4
177.12695	1.7
177.16368	6.0
187.14804	10.9
201.16382	3.8
210.94234	1.2
218.63638	1.3
219.17401	1.4
233.22658	5.2
237.39426	1.3
243.21033	23.6
261.22116	100.0
262.22458	4.6
279.23148	3.9
335.25720	6.1
353.26797	25.4
353.30734	2.1
354.27185	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.01391	1.6
53.03935	3.8
53.31796	1.6
55.01857	4.1
55.05498	18.2
57.03414	4.8
57.07045	7.2
58.90753	1.5
60.32829	1.7
64.39095	1.6
65.03924	3.5
67.05495	88.1
68.05811	2.7
69.07054	16.3
71.04958	2.0
71.08608	4.5
71.31535	4.4
71.31873	2.1
79.05481	55.7
80.05787	2.5
81.07045	100.0
83.04940	1.9
83.08611	10.4
85.06504	5.1
85.10171	4.2
91.05466	33.9
91.06020	2.8
93.07030	65.9
95.04940	4.8
95.08591	81.1
96.08910	1.7
97.06513	5.0
97.10133	5.0
99.08080	5.4
105.07008	23.5
107.08572	41.5
108.08862	2.4
109.06486	2.8
109.10137	31.9
113.09589	3.6
115.05395	1.8
117.07008	9.7
119.08563	15.9
121.10123	32.1
123.11697	14.1
129.07036	1.9
131.08542	21.7
133.10080	17.4
135.04395	68.2
135.11679	25.9
136.04726	2.1
137.13229	5.1
143.04884	2.2
143.08556	3.1
145.10106	19.1
147.11673	11.8
149.02287	5.4
149.13226	21.3
151.14821	2.8
159.11674	16.5
159.68098	2.0
161.13223	13.9
163.14804	21.1
165.12668	2.5
166.95070	1.7
173.13235	18.0
175.14799	5.8
177.16324	9.3
179.14186	2.3
187.14809	11.9
191.14362	2.4
201.05420	4.8
201.16293	5.2
205.15923	2.4
211.14706	1.9
223.14452	1.8
233.22568	6.9
243.13808	2.0
243.21059	27.7
261.22122	73.4
262.22400	6.7
279.19449	2.3
279.22885	2.5
307.23996	5.9
322.18414	2.4
323.09079	8.0
330.65677	2.0
335.09009	2.7
335.25885	9.5
353.10117	11.8
353.24030	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	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03928	3.9
55.01864	2.2
55.05502	17.4
57.02451	1.3
57.03408	4.4
57.07074	6.9
59.64433	1.4
65.03915	4.0
67.05495	96.8
68.05821	1.7
69.07055	16.2
69.90981	1.3
71.04967	3.0
71.08610	5.5
71.71402	2.3
72.84848	1.4
75.04454	1.8
79.05483	58.1
81.07045	100.0
82.07363	2.2
83.04950	3.3
83.08600	9.3
85.06528	4.7
85.10142	2.0
88.60495	1.4
91.05463	25.8
93.07032	65.5
94.07365	2.8
95.04942	6.5
95.08592	78.0
97.06498	4.4
97.10137	3.9
99.08076	7.3
105.07008	26.2
107.08579	43.2
109.06486	2.7
109.10136	31.1
113.09635	3.4
117.07011	9.5
119.08570	19.7
121.10118	31.9
123.08060	1.8
123.11691	12.8
123.82098	1.5
125.09540	1.9
129.05481	1.5
131.08553	28.4
133.10103	13.1
135.11678	26.4
137.09592	3.0
137.13210	6.9
139.11203	2.0
143.08572	1.8
145.10092	17.5
147.11690	9.7
149.09514	1.5
149.13235	21.5
151.14775	2.9
153.12683	1.9
157.10103	3.2
159.11684	15.6
161.13237	10.7
163.11168	2.2
163.14792	17.8
165.12782	2.0
171.11595	2.2
173.13263	16.5
175.14766	4.4
177.16364	5.3
179.14326	2.6
187.14806	10.5
191.14172	1.6
201.16295	3.5
201.41212	1.4
233.22589	7.8
243.21034	32.0
261.22101	72.3
262.22375	3.6
279.23178	4.0
285.10977	1.4
307.24356	1.5
335.25958	8.6
353.24222	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	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.6
55.01855	6.0
55.05509	22.5
56.96559	13.5
57.03428	3.7
57.07058	7.1
61.02900	5.4
65.03915	2.6
67.05135	5.0
67.05499	98.5
69.03428	3.8
69.07056	17.6
71.08607	12.5
71.70878	2.5
71.71293	4.5
71.71664	3.5
79.05482	64.5
80.05804	5.2
81.03389	5.8
81.07047	100.0
83.04973	4.9
83.08617	15.2
85.02885	5.8
85.06540	5.0
85.10164	2.8
91.03930	5.6
91.05473	46.7
93.07040	76.7
94.07344	3.1
95.04936	11.1
95.08598	78.2
97.02863	4.3
97.06513	8.1
97.10155	7.0
99.08077	7.8
105.07027	29.4
107.08579	54.3
109.06506	4.7
109.10148	31.1
110.37202	3.1
117.07014	15.9
119.08575	27.7
121.09370	4.9
121.10143	42.0
123.11682	15.4
125.09652	3.4
129.06960	4.0
131.08565	28.5
133.10133	20.2
135.04376	8.8
135.08052	3.6
135.11684	34.0
137.13205	5.9
139.11131	3.0
143.08530	4.0
145.10132	22.2
147.11658	19.7
149.09546	3.1
149.13258	25.3
151.11153	3.4
154.12241	5.4
157.10039	4.3
159.11707	16.7
161.09628	3.8
161.13222	11.1
163.11186	6.2
163.14815	17.6
171.11644	5.9
173.13310	14.1
175.14833	10.3
177.16310	6.2
179.14346	4.9
179.96596	2.9
187.14790	13.6
191.14378	3.2
199.06313	3.7
201.05432	4.3
203.05936	2.8
205.21658	2.9
211.14780	3.2
214.09242	2.8
233.22647	7.2
243.21034	31.9
246.06685	2.7
254.85159	3.0
255.09024	7.8
261.22113	83.3
262.22406	4.0
263.09521	3.6
279.23041	3.0
281.10522	17.0
281.17624	7.3
283.08560	13.1
283.15396	4.2
299.11533	9.2
301.09500	10.8
304.12064	5.6
335.09094	4.2
335.25769	4.6
353.09921	3.3
353.24969	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	354.1177
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
51.41049	0.3
53.03927	0.4
57.03417	0.5
59.71871	0.4
61.02900	0.7
67.05476	0.3
69.03431	2.0
69.95437	0.3
70.06586	0.4
70.82214	1.0
70.82563	0.3
73.02901	0.6
73.25942	0.3
73.42706	0.3
77.03929	0.4
81.03394	1.0
84.94539	0.3
85.02888	3.5
87.04443	0.6
91.03938	0.4
91.05408	1.8
94.06551	4.3
95.04952	0.7
97.02856	1.1
99.04436	0.4
105.03349	0.6
117.05700	0.6
118.06520	6.9
119.04875	0.3
122.06003	4.8
127.03888	0.9
132.22215	0.3
134.05933	0.8
136.07658	0.4
145.05037	0.6
146.05984	16.7
147.06703	0.6
150.05441	1.2
162.05473	1.4
164.05768	0.6
164.07034	7.4
165.07462	0.4
174.05475	100.0
175.05879	2.1
176.07108	0.7
192.06519	49.8
193.06856	1.0
336.10760	1.4
354.11777	45.8
355.12122	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1907
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
56.10288	0.6
56.96550	0.7
57.03413	1.1
69.03413	2.7
69.42355	0.6
69.58465	0.6
70.06580	0.7
71.69913	1.3
73.02890	2.8
73.04735	3.2
81.03389	1.7
81.57042	0.7
85.02908	3.5
87.04458	3.7
89.12184	0.6
91.05785	12.2
93.07050	0.8
97.02863	1.5
98.97546	1.0
99.04431	2.4
101.02332	0.6
101.50368	0.6
109.02835	0.8
113.05975	2.0
116.07052	0.8
120.69765	0.6
127.03864	0.9
131.07051	1.8
136.07535	1.0
138.60324	0.6
148.11182	14.6
149.06013	0.6
149.11443	0.7
149.88310	0.7
157.08577	1.3
174.12796	0.7
192.13797	54.8
193.14137	2.4
213.62869	0.7
268.97897	3.2
285.00934	4.5
303.01987	1.1
354.19049	100.0
355.06943	5.4
355.13803	2.6
355.19357	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	354.3361
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
51.54882	1.5
54.08144	1.5
55.05504	9.3
57.07072	13.6
58.02962	2.4
58.06592	14.0
60.04512	16.8
67.05494	7.7
69.07063	17.8
70.02899	1.9
70.06574	5.3
71.04984	1.9
71.08621	9.5
71.70744	1.8
72.08155	1.8
74.06064	2.3
81.07042	19.3
82.06564	2.1
83.08613	10.5
84.08125	4.6
85.10158	4.4
86.06060	4.2
87.06855	1.6
93.07085	1.7
95.08585	18.7
97.10162	7.9
98.09669	2.2
109.10142	6.5
111.11683	4.6
123.11694	3.1
154.67245	1.6
155.64879	1.8
156.04990	1.6
185.86493	1.7
199.88690	2.0
219.69745	1.6
241.66673	1.8
268.30026	6.9
274.73038	1.6
294.31458	3.5
306.31445	2.7
307.29840	2.7
308.33136	2.4
324.32544	2.4
326.34140	4.6
336.32544	12.3
350.14154	1.6
354.16669	1.7
354.33606	100.0
355.33777	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	355.117
Annotation	(+)-EI 1507-1
Peak:m/z	Relative Intensity
53.03936	1.6
55.01869	10.1
55.05498	3.8
62.28004	1.0
65.03962	1.2
65.25268	1.1
65.61036	1.1
67.05500	7.1
68.82946	1.1
69.03409	4.2
69.07045	2.3
71.04981	2.5
71.70833	1.4
79.05498	7.8
81.03402	8.8
81.07044	11.0
83.04975	1.8
83.08622	2.5
83.28531	1.1
85.02880	2.1
85.06532	2.9
86.93484	1.0
89.03889	1.7
91.05463	4.7
91.05879	2.0
93.07025	4.9
95.04951	4.4
95.08579	6.6
97.06503	8.6
98.17943	1.1
103.05447	6.8
105.03397	2.1
105.07011	7.3
107.04932	2.4
107.08599	5.6
109.02847	2.7
109.06503	2.1
109.10143	4.9
111.04431	2.2
111.08075	1.5
115.05440	6.8
117.03359	2.2
117.06998	2.7
118.04096	1.1
119.04894	1.6
119.08545	6.2
121.06525	2.1
121.10129	4.1
122.03656	1.5
123.08009	1.6
123.11678	2.3
129.06947	2.5
131.04890	16.4
131.08595	3.1
133.10098	3.0
135.04391	100.0
135.11690	2.2
136.04726	3.3
137.05956	26.7
137.09584	1.3
143.04892	9.9
145.02823	1.7
145.06450	3.3
145.10063	1.9
146.03590	3.0
147.04391	3.8
147.11693	5.2
149.02281	5.3
149.05946	11.0
149.09593	2.0
151.03896	13.6
151.07491	2.3
152.04300	1.2
153.06862	1.2
155.04880	8.3
157.10141	2.6
159.04405	2.5
159.11693	2.4
160.05196	5.9
161.05966	17.8
161.09608	1.4
161.13239	1.6
163.03889	3.2
163.07582	1.7
165.05484	1.2
165.06935	2.1
165.12727	2.4
167.07117	2.4
167.08490	1.7
171.04411	1.3
171.11742	1.5
173.05928	3.8
173.09373	1.2
173.13258	1.3
175.03909	4.1
175.07523	13.4
175.11140	1.2
177.05481	2.6
179.08563	1.6
181.06422	1.9
183.04324	1.8
185.05945	1.8
185.09709	1.3
187.07513	6.1
188.04652	2.1
189.05399	3.8
189.07007	2.5
189.09113	1.3
190.07805	1.3
191.08542	4.6
193.06487	1.5
193.12193	1.6
197.13370	1.1
199.03986	1.3
201.05441	15.4
203.06996	61.4
204.07410	2.1
205.06506	4.4
205.08490	2.8
207.08011	3.0
209.06023	2.1
210.06807	1.3
211.07404	1.5
213.05513	2.7
215.06970	6.0
217.06601	1.3
218.07207	2.0
219.08051	10.3
220.05128	1.5
221.05952	2.9
222.06866	1.7
223.07449	3.5
225.05487	1.7
225.09081	2.1
233.06006	2.4
233.08112	3.1
234.06734	2.5
235.07445	5.3
236.08389	2.2
237.09094	1.8
239.07022	2.5
245.98201	1.2
246.06531	1.3
247.07501	8.0
249.09074	3.8
250.06226	1.6
251.06964	4.4
251.10605	2.2
252.07664	1.5
253.08527	1.4
262.06158	1.9
263.07007	3.4
264.07794	2.6
265.08517	3.5
267.06528	16.6
267.09549	2.3
267.13724	1.4
268.07001	2.4
269.08096	1.8
275.07019	2.5
277.08560	9.0
278.09265	1.9
279.10089	3.5
282.08865	18.9
283.09457	4.0
285.00842	2.6
293.08060	2.8
294.08676	2.7
295.09589	5.4
296.10196	1.2
304.07391	2.4
305.07996	9.5
307.09579	8.0
309.11121	10.9
311.12531	1.4
319.09576	2.3
323.09039	2.6
325.10672	11.2
326.11505	1.3
327.12320	1.5
337.10678	45.5
337.14151	2.1
338.11078	4.7
355.07370	1.9
355.11685	28.3
355.15530	3.8
355.22375	2.5
355.26270	2.9
356.12143	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17574	0.5
53.03922	0.5
55.01841	1.0
55.05492	0.9
56.05011	0.6
57.03429	1.4
61.03964	0.5
63.09964	0.5
64.65437	0.4
67.05476	1.9
69.03418	1.8
69.43497	3.3
69.43929	2.2
70.06583	1.5
71.04974	0.9
72.08138	0.7
73.04744	1.8
79.05492	0.8
81.03393	1.5
81.07024	1.9
83.04971	0.7
84.08128	0.9
85.02877	1.5
85.06497	0.7
86.09686	0.8
91.05771	5.2
93.07023	2.4
95.04946	1.8
95.08579	1.5
97.02869	0.6
97.06511	1.7
105.07020	1.9
107.08552	1.8
109.02883	0.9
109.06517	0.9
109.10127	1.6
111.04446	0.6
115.05430	1.1
117.06976	0.6
119.04925	0.8
119.08566	1.9
120.08860	0.7
121.02861	0.6
121.06441	1.0
121.10088	1.1
122.06011	0.6
127.03943	0.7
128.41243	0.6
131.04955	0.7
133.10094	1.2
135.08017	1.2
136.04965	0.7
136.07446	0.6
137.05936	3.9
137.09583	1.1
147.04382	1.2
147.08072	0.9
147.11647	1.1
151.03871	1.1
151.07513	0.8
153.09061	0.6
161.05986	0.9
162.06706	0.7
165.12744	0.8
167.07005	0.7
175.03896	1.5
175.07263	4.2
175.11174	1.3
177.05458	0.6
177.16382	0.6
185.04161	3.6
193.04971	2.8
194.04454	0.6
201.05444	5.4
203.05231	33.7
204.05638	0.5
223.07420	0.6
231.04741	4.3
234.06784	0.8
268.97702	0.8
277.08743	0.8
281.08206	0.7
285.00949	2.4
293.07959	0.6
294.05072	1.6
297.07690	0.7
305.08157	0.9
306.45844	0.5
323.09180	1.6
337.06982	2.3
337.10666	1.1
355.13571	100.0
356.13980	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	0.9
58.84659	1.1
58.97749	1.0
69.03397	1.3
69.07042	1.3
71.69992	1.1
73.04749	7.5
73.77082	1.1
79.05498	1.3
79.64714	1.0
80.42326	1.0
85.02879	2.9
85.52343	1.2
91.05794	40.1
93.03677	1.1
93.07095	1.4
95.08585	1.3
114.07320	1.9
121.06456	2.2
123.08040	2.3
148.07558	1.5
149.05951	3.9
203.05246	9.5
237.02896	1.8
246.82253	1.1
268.97818	8.7
270.95886	1.3
285.00949	10.5
286.01007	1.7
303.01971	4.4
338.13525	1.6
355.07162	11.2
355.13586	100.0
356.13376	5.6
356.17429	1.8
373.08029	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1535
Annotation	3'-Methoxyglabridin
Peak:m/z	Relative Intensity
50.59702	0.6
55.01845	0.7
70.51083	1.7
78.04684	1.8
79.05477	2.3
81.07047	0.8
83.08604	0.6
91.05453	7.2
95.04943	1.0
103.05470	1.9
104.06232	1.6
105.07021	9.0
106.04163	0.7
106.07407	0.6
107.04952	3.6
109.10130	0.8
115.05432	7.5
117.07002	4.4
119.04987	0.7
119.07712	0.8
119.08559	7.0
123.04391	3.3
124.05209	1.6
128.06209	3.0
129.06990	4.5
131.04942	2.8
132.05696	5.3
133.06483	6.7
133.10051	0.6
137.05952	2.2
141.06964	14.6
143.05000	0.7
143.06067	0.9
145.06447	2.4
147.04350	1.1
147.08034	21.0
149.05986	0.7
152.04659	1.1
154.31914	0.6
157.06454	1.4
158.07214	1.3
159.08029	1.1
160.05194	4.6
161.05963	11.9
163.07613	0.7
167.07019	55.1
168.07307	1.0
169.06464	19.3
170.07213	1.0
173.06029	0.6
174.06688	1.0
175.07524	100.0
176.07869	2.6
177.05482	0.5
186.06752	1.7
187.07428	1.5
189.09065	5.0
191.07025	3.3
193.08586	26.2
194.08896	1.1
201.05377	3.7
201.09094	7.8
203.08507	0.7
220.08842	0.6
231.08144	1.3
233.06291	0.6
248.08380	0.7
259.07526	1.2
263.10538	1.1
265.08459	0.6
277.08646	0.6
279.06473	0.7
291.09872	1.1
293.17722	0.7
295.09860	0.6
305.08206	0.9
309.11121	0.7
322.11740	0.7
323.12518	1.7
337.10541	1.6
355.11115	1.3
355.15335	22.3
356.15741	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62749	1.1
53.03917	1.7
53.94163	1.4
55.01864	2.3
55.05497	4.0
57.03423	4.3
57.07059	1.3
57.15699	1.1
61.02905	1.8
67.05492	4.8
69.03423	8.3
69.07060	9.0
69.80206	5.4
69.80624	3.1
70.06572	3.8
71.04952	2.7
73.02894	1.5
73.04747	3.0
76.42622	1.3
79.05485	3.3
81.03406	3.3
81.07040	6.3
83.04987	2.9
83.06066	2.1
83.08593	2.5
84.08116	1.9
85.02895	32.5
85.06541	2.9
86.09691	1.4
91.05389	4.3
91.05800	7.4
93.07034	5.9
95.04938	6.6
95.08589	9.2
97.02880	7.3
99.04469	2.4
105.07008	12.5
107.04953	2.7
107.08587	6.4
109.02886	4.3
109.06530	3.0
109.10140	17.3
114.07486	1.2
115.05415	1.4
117.07027	2.9
119.04943	2.8
119.08567	42.2
120.58319	1.4
121.06482	3.0
121.10126	6.0
123.04472	1.4
123.08068	2.3
127.03896	8.0
131.08559	3.1
133.06500	1.5
133.10107	37.2
135.08003	2.3
135.11630	3.5
136.07539	1.7
137.05956	10.5
137.09610	4.4
145.04921	3.4
145.06512	2.0
145.10114	2.5
147.04367	2.4
147.07954	1.5
147.11662	8.9
149.05917	1.4
149.09579	1.7
151.03854	1.6
157.10098	2.8
159.11691	2.3
161.06021	1.8
163.06056	2.0
173.05957	3.0
173.13246	5.9
175.14804	100.0
176.15157	3.1
177.05505	1.5
177.12622	1.4
180.07814	2.1
191.14297	2.8
193.04980	2.4
193.12285	2.4
193.15900	17.8
196.14445	2.1
201.05449	14.4
205.06543	2.0
212.52049	1.7
233.06009	1.4
234.06743	1.7
235.07538	1.5
241.15976	1.6
268.97803	2.1
283.16943	1.8
285.00967	5.6
293.07974	1.6
301.17880	2.3
305.08069	2.0
309.11279	1.7
319.18845	6.6
325.14160	1.5
337.10867	1.9
337.20032	4.6
355.07043	3.3
355.11728	2.8
355.21201	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	355.2838
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.01861	2.7
55.05506	43.0
57.03424	11.6
57.07082	12.2
58.12859	1.8
65.52480	1.8
67.05496	85.7
69.07062	49.8
70.52354	1.7
71.04986	3.4
71.08621	5.7
79.05490	29.2
81.07044	100.0
82.07368	3.3
83.04972	4.1
83.06355	1.8
83.08607	34.7
85.06545	6.3
85.10169	4.1
91.05426	21.3
92.53661	1.8
93.06500	3.0
93.07037	30.4
94.72507	2.0
95.08596	89.0
97.06519	12.3
97.10167	29.8
99.08105	4.1
103.03898	1.9
105.07008	15.4
107.08580	23.1
109.06517	2.4
109.10140	45.6
111.08080	7.0
111.11713	8.8
113.09620	2.6
119.08565	17.6
121.10131	29.9
123.08022	2.0
123.11691	20.6
125.09592	3.8
127.11172	2.9
129.05437	4.3
133.10120	18.1
135.11691	19.4
137.09601	3.2
137.13249	7.7
139.11087	2.9
141.12743	2.1
147.11679	12.8
149.13261	15.0
151.14807	6.3
161.13272	14.4
163.14838	12.1
163.15999	2.1
165.16386	7.7
175.14781	11.8
177.16449	2.5
179.17981	3.7
181.15962	2.1
189.16342	5.9
245.22607	48.2
247.24265	3.1
263.23679	51.1
281.24786	3.7
337.27365	31.9
355.24313	3.1
355.28375	23.3
355.33978	7.6
356.19125	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2836
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03929	3.1
55.01861	2.5
55.05279	3.2
55.05507	41.5
57.03416	9.9
57.07066	14.1
57.87794	2.2
65.03901	2.6
67.05495	82.1
69.07059	47.2
70.06577	3.0
71.04992	3.1
71.08594	5.3
79.05480	31.8
81.07044	100.0
83.04949	4.0
83.08608	28.7
85.06532	6.1
85.10144	4.1
86.98675	2.4
88.07607	4.1
91.05411	22.4
93.07027	34.1
95.08596	82.2
97.06509	12.8
97.10157	17.2
99.08076	2.6
105.07034	16.5
106.08649	3.6
107.08572	24.3
109.10143	40.5
111.08036	5.2
111.11696	7.6
119.08554	17.1
121.10133	25.3
123.08061	3.9
123.11686	21.9
124.70457	2.4
125.09609	4.2
129.05424	2.6
133.10101	21.1
135.11679	14.6
137.09604	5.0
137.13235	9.7
139.11079	2.9
141.12697	2.1
147.11655	14.4
149.13248	13.6
151.14821	7.5
153.12791	2.4
155.14317	3.0
161.13240	13.3
163.14816	10.0
165.16399	4.5
175.14838	15.4
177.16318	3.7
179.17937	2.9
189.16298	6.9
193.15877	2.3
229.27481	2.5
245.22617	36.9
251.49120	2.2
263.23639	50.7
269.65375	2.3
274.69101	2.1
284.30054	2.6
337.27347	25.4
355.28323	6.8
356.35184	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	355.2836
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
50.98788	1.8
53.03934	3.2
55.01892	1.9
55.05276	2.5
55.05503	32.5
57.03427	12.7
57.07065	15.4
63.21893	2.0
64.13493	1.7
67.05495	74.9
68.05834	2.2
69.07056	47.9
70.01944	11.6
70.07380	1.7
71.04974	3.1
71.08607	6.3
79.05483	26.5
81.07043	100.0
83.08607	35.4
83.86470	1.8
85.06526	5.1
85.10183	3.0
91.05435	18.4
93.07033	33.3
95.04958	2.9
95.08591	84.8
95.62354	2.0
97.06525	9.8
97.10152	23.5
99.08074	4.9
103.03896	4.2
105.07014	19.6
107.07926	1.9
107.08587	24.9
107.38013	1.6
109.10136	46.5
111.08067	5.7
111.11703	6.3
113.09669	2.9
114.79626	1.8
119.08557	15.4
121.10124	31.9
123.11686	20.6
125.09615	3.4
125.13240	3.4
129.05438	5.1
133.10110	20.0
135.11665	19.2
137.09537	3.2
137.13229	7.4
147.11674	14.4
149.13239	13.4
151.11165	3.5
151.14809	6.5
161.13252	11.9
163.14786	13.2
165.12709	2.9
165.16362	9.5
167.14278	2.4
175.14769	10.3
177.16403	3.7
179.17876	2.6
189.16345	6.2
203.18018	2.0
245.22609	48.6
246.23038	2.5
253.25188	1.8
263.23676	44.1
337.27310	30.0
355.28369	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	356.3517
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
55.05505	8.1
57.07058	1.5
58.06583	0.5
68.05006	0.4
69.07055	5.9
69.66459	0.8
69.66889	1.7
70.06579	12.5
71.08597	0.7
74.06091	0.5
81.07035	0.5
83.08609	3.6
88.07616	14.5
97.10135	1.2
98.21416	0.7
102.09161	4.6
104.27303	0.3
106.08646	8.2
110.23374	0.3
118.08627	0.3
133.79187	0.3
158.10356	0.3
224.42368	0.4
312.32449	0.7
316.11276	0.4
338.34091	5.4
356.35172	100.0
357.35480	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	357.0964
Annotation	Diplotasin
Peak:m/z	Relative Intensity
52.92636	1.2
53.03931	2.3
55.01863	11.1
55.05493	2.9
57.03424	1.5
64.22701	1.1
65.03936	8.9
67.05500	5.2
68.99783	6.6
69.03406	6.2
69.07045	3.3
69.84611	5.1
69.85044	3.4
71.01328	2.4
71.04971	3.4
71.65059	0.9
79.05480	8.0
81.03397	9.1
81.07033	8.5
83.04968	1.6
83.08593	1.0
85.02907	1.5
85.06535	8.4
86.38213	1.2
87.79816	1.0
89.03901	7.5
91.05421	5.5
93.03412	6.3
93.07025	5.1
94.04168	1.4
95.04954	6.6
95.08580	3.7
97.02884	1.6
97.06490	6.4
99.04442	1.9
103.05453	4.5
105.03377	1.3
105.07012	4.2
107.04916	3.8
107.08570	4.3
109.02874	5.6
109.06500	2.1
109.10120	3.2
111.04425	18.2
113.02383	1.3
115.05415	4.5
116.04974	6.2
117.03353	5.0
119.04903	2.1
119.08566	3.7
121.02866	1.2
121.06461	1.7
121.10114	2.7
122.03611	2.4
122.05992	1.2
123.04415	24.8
123.08014	1.2
127.03925	5.8
128.06158	1.3
129.07002	2.1
131.04884	7.8
131.08604	1.4
133.06477	1.9
133.10103	2.8
135.04399	100.0
135.11661	1.5
136.04700	1.5
136.07448	1.3
137.02330	91.9
137.03410	6.5
137.05951	31.8
137.09598	1.7
139.03877	3.7
143.04875	4.5
144.04437	11.9
145.02835	14.0
145.06436	3.6
145.10081	2.2
146.03572	1.2
147.04404	8.2
147.07973	1.7
149.02325	54.7
149.05997	3.8
149.13239	3.5
150.02641	1.5
151.03891	40.9
151.04976	1.8
152.04367	1.2
155.04887	1.3
157.06454	1.5
159.04323	1.6
159.11678	3.4
161.05984	8.1
162.05507	3.5
163.03891	8.6
165.05481	6.4
165.06917	1.7
167.07014	2.2
168.07368	1.4
171.04375	1.2
171.11729	1.2
172.03912	40.3
172.05334	2.4
173.05957	5.2
175.03886	43.9
175.07509	4.5
176.04182	1.4
177.05461	7.4
177.12755	1.7
179.03320	2.4
181.04980	1.6
187.07530	1.9
189.05510	6.7
189.06868	1.5
189.09105	1.5
190.07524	1.2
191.07014	3.0
191.08585	1.4
195.13783	2.8
201.05421	2.5
203.07098	13.8
204.06537	69.5
205.04930	14.0
205.06578	1.9
205.08511	1.3
206.97063	1.1
207.06435	2.0
215.07047	2.3
217.04913	3.6
219.06522	3.8
223.07512	1.1
233.05899	1.2
233.07964	1.4
234.06831	1.6
235.07507	1.7
239.07053	1.1
243.06416	2.4
247.07626	1.7
251.06938	1.7
253.08646	1.6
261.09113	1.3
263.06992	2.8
264.07825	1.5
269.07977	1.8
279.10068	2.3
281.08020	3.7
284.10425	1.1
286.08417	1.6
296.06674	1.3
297.11188	1.6
307.09683	4.6
309.11249	2.1
311.12686	2.2
321.11069	3.1
321.17038	1.1
325.10541	1.2
327.08618	25.7
327.12198	3.5
329.13950	2.4
339.12271	4.6
339.17957	1.3
340.15546	2.1
357.09622	84.2
357.13507	8.2
357.18729	37.0
358.10010	4.7
370.13983	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0962
Annotation	Diplotasin
Peak:m/z	Relative Intensity
52.65162	0.8
53.03935	1.7
54.20176	0.9
55.01864	31.7
55.05499	2.1
57.03403	0.8
65.03903	1.9
67.05484	2.5
68.99760	1.9
69.03409	2.9
69.07060	0.8
69.58057	6.2
71.01309	0.8
71.04992	1.7
77.03920	1.5
79.05471	7.1
81.03408	6.4
81.07032	4.8
83.04967	1.8
83.08571	0.8
85.02895	1.0
85.06520	5.1
89.03909	4.2
89.20732	0.7
91.05454	5.6
93.03380	1.1
93.07048	5.3
94.04137	0.9
94.06554	0.8
95.04937	3.2
95.07312	0.8
95.08607	4.4
96.08135	1.2
97.02886	1.0
97.06523	4.9
99.04433	1.0
103.05456	9.1
105.03365	1.9
105.07009	6.0
107.04955	1.7
107.08585	3.4
109.02877	4.0
109.06497	1.4
109.10128	2.0
110.09649	1.2
111.04404	3.6
115.05451	5.6
116.04958	11.2
117.03377	1.3
117.06998	1.7
119.04884	1.1
119.08538	2.6
121.06488	1.4
121.10104	1.9
122.03593	1.9
122.05990	2.2
123.04411	17.7
123.11669	1.0
125.33020	0.8
127.03876	4.7
129.07050	1.6
131.04906	11.8
131.08508	2.2
133.06485	5.4
133.10129	1.6
134.06035	1.2
135.04395	69.0
135.11676	1.3
136.04764	1.6
136.07555	3.1
137.02325	35.2
137.03372	2.3
137.05951	22.7
137.09506	0.8
138.02692	0.8
138.09105	1.2
139.03894	1.8
143.04895	6.2
144.04431	20.2
145.02827	0.8
145.06497	1.5
145.10144	0.8
146.05977	0.9
147.04376	4.0
147.11713	1.2
149.02321	8.3
149.05975	2.8
149.13307	0.9
149.93594	0.7
151.03871	6.1
151.07521	1.7
155.04930	0.8
157.10085	1.0
159.04387	4.0
159.11693	1.6
161.05956	26.0
161.09491	0.9
162.05476	7.2
162.06696	1.7
163.03870	2.5
163.07471	0.9
165.05479	5.8
165.06729	1.3
166.08621	1.5
167.07004	1.9
171.04329	1.1
172.03912	69.3
173.04202	0.8
173.13191	0.9
175.07567	0.8
177.05461	8.0
177.12668	1.6
179.03340	1.3
179.07027	6.1
179.08504	1.2
187.07617	0.7
189.05458	11.7
189.06982	0.8
190.04977	0.8
191.03381	1.6
191.08563	0.9
195.13748	3.0
203.07037	1.9
204.06535	100.0
205.04863	1.2
205.06650	2.7
207.06482	25.4
219.08076	1.7
223.07570	1.7
225.05505	0.9
233.05928	0.8
234.06833	0.8
235.07411	1.4
237.09198	1.0
239.06985	0.9
243.06502	3.3
247.07442	1.3
251.07059	1.8
261.08966	0.8
263.07071	0.7
264.07779	0.8
275.07007	1.3
277.08667	0.9
279.06549	0.9
279.10236	1.4
281.07986	1.8
291.06570	1.7
293.08298	1.0
297.11121	1.0
307.09479	3.6
321.11032	1.5
325.10751	1.2
327.08743	6.5
327.12079	1.4
339.12314	2.2
339.18442	0.8
357.09607	22.7
357.13589	5.4
357.20074	0.9
357.23999	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1176
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
53.03931	1.6
53.99779	1.2
55.01862	4.9
55.05500	1.5
57.03423	1.3
58.10669	0.9
59.92751	1.1
61.02934	5.1
65.03952	1.3
69.03403	3.2
70.06583	7.2
70.06910	1.0
71.69862	1.5
72.08162	1.8
73.02899	1.4
73.04751	1.7
74.88292	1.0
78.04691	1.3
79.05468	3.9
79.05871	1.0
81.03412	3.1
81.07024	1.9
83.06082	1.1
84.04509	1.3
84.08118	1.6
85.02895	6.2
85.58218	1.2
86.09676	2.4
91.05481	4.8
93.03393	1.2
93.07047	2.5
95.01305	1.4
95.04960	3.1
97.02865	1.3
97.06508	1.4
103.05472	7.7
105.07020	17.4
106.04172	1.6
107.04944	4.9
109.06499	2.3
110.07156	2.6
111.04446	1.2
115.05434	6.9
116.06300	1.1
116.07069	2.5
116.98605	1.0
117.03381	1.0
117.07009	4.8
118.04140	1.9
119.04884	2.7
119.08538	1.3
121.02903	1.1
121.06498	8.8
121.10121	1.1
123.04428	4.4
124.05220	1.3
130.01949	1.2
130.04190	1.1
131.04892	9.7
131.08621	1.0
132.05717	2.4
133.06467	18.1
134.03638	3.4
135.04427	2.9
135.08092	1.4
136.06157	2.9
137.05956	16.3
138.06599	1.2
144.05675	2.3
145.06430	7.1
146.03590	3.2
147.04390	4.2
148.05182	7.8
149.05969	7.4
151.03938	2.8
151.07521	3.4
152.04648	2.9
153.05397	1.6
159.04382	2.1
160.05197	2.6
161.05966	19.6
162.03162	1.3
163.07530	3.4
165.05475	2.1
166.06219	1.3
167.07021	100.0
173.06006	6.0
175.03893	1.2
176.04654	7.8
177.05452	13.8
178.06192	8.5
179.06960	5.3
180.04158	2.5
181.04942	2.5
181.08592	12.7
187.07408	1.7
189.05490	2.7
190.06075	1.4
191.07001	7.3
192.04114	1.3
193.04970	3.2
193.08578	29.0
194.05717	10.2
194.08653	1.2
195.01079	1.7
195.06470	8.3
197.08058	2.0
203.06993	2.5
204.04449	1.3
205.04813	1.2
205.08604	7.4
206.05669	1.5
206.08995	1.3
207.06529	10.0
209.08069	24.5
211.05965	2.1
211.09557	5.7
215.07057	1.8
219.06538	1.4
220.07220	3.8
221.08052	10.5
223.09636	2.8
227.09175	1.9
233.08069	2.5
237.07562	10.3
239.09047	12.3
243.06587	1.3
249.07590	2.2
251.09132	3.2
255.08598	14.2
256.08899	1.3
261.07672	1.6
267.08566	1.5
269.10181	11.6
275.09128	2.2
293.10071	8.2
297.09711	4.4
303.08798	1.1
311.11230	1.9
321.09702	11.4
339.10703	10.3
357.06805	1.6
357.15491	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	357.1328
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
51.16387	0.3
53.03940	0.5
53.29289	0.2
55.01851	1.0
55.05494	0.3
65.03927	0.7
67.05497	1.7
69.03419	0.8
69.07065	0.4
70.96209	0.2
71.04966	0.4
71.42934	0.3
71.70094	0.5
72.08139	0.4
73.01392	0.2
73.65534	0.3
79.05495	1.3
81.03415	1.3
81.07053	1.8
84.04475	0.6
85.02883	0.5
85.06509	0.4
86.09704	1.3
91.05429	1.3
93.06481	0.3
93.06989	1.6
94.04170	2.5
95.04958	0.6
95.08578	0.7
97.02898	0.4
97.06513	0.7
101.80526	0.3
105.07015	0.6
107.04931	1.2
107.08565	0.9
108.02081	0.4
109.02852	0.8
109.06493	0.9
109.10102	0.4
111.04398	0.5
115.05463	1.6
115.98314	0.3
116.04965	0.9
117.06992	1.3
119.08564	0.5
121.06512	0.5
122.03628	6.5
122.05976	0.3
129.05486	0.3
129.06958	0.8
131.08485	0.4
132.10179	0.5
133.10091	0.6
135.04362	0.3
135.08000	0.3
135.11726	0.4
137.05952	100.0
138.06284	1.8
141.05435	0.7
143.04907	5.9
144.04407	1.8
145.06436	0.8
146.05986	0.4
147.04390	0.5
147.08043	0.4
149.05956	0.6
149.13228	0.3
151.03886	21.3
151.04967	1.4
152.04318	0.3
153.05501	0.4
157.06456	0.7
159.11642	0.3
161.05960	0.5
162.05457	0.7
163.07445	0.3
163.16257	0.3
165.05453	0.5
166.08583	0.5
167.07068	0.4
172.03906	7.7
173.05968	0.3
175.07475	2.0
177.05431	0.5
177.09116	0.4
177.12732	0.4
184.41641	0.3
189.09172	0.3
191.06940	0.3
195.01161	0.7
195.13760	0.6
203.06975	3.1
204.06528	12.0
205.06837	0.4
205.08594	3.0
213.20941	0.3
215.06934	0.5
227.87000	0.3
233.07915	0.4
235.07385	0.3
247.07491	0.5
261.08920	0.4
267.10181	0.5
279.10214	0.4
297.11227	0.4
307.09714	0.5
311.12631	0.4
321.11078	1.0
327.12225	11.3
328.12744	0.5
339.12271	1.4
357.13269	21.2
358.13651	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1329
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
52.12686	2.1
53.03954	1.8
55.01867	19.2
55.05492	1.7
59.58300	1.7
65.00169	1.7
65.03932	3.5
66.88377	1.9
67.05495	3.9
69.03410	3.6
69.07063	3.1
70.48776	9.0
79.05473	7.4
81.03398	3.2
81.07059	9.2
83.04976	2.4
83.08652	1.5
85.02869	2.9
85.06525	10.1
91.05443	11.2
93.03399	2.4
93.07050	7.3
94.04171	10.0
95.04959	4.3
95.08593	5.6
97.06519	5.2
99.04468	2.6
103.05467	8.3
105.07000	10.1
107.04963	4.1
107.08587	5.0
109.02868	3.0
109.06506	5.1
111.04436	5.7
115.05449	8.3
117.03378	2.6
117.07000	3.4
119.04924	3.1
119.08520	2.8
121.06505	3.8
121.10110	3.2
122.03635	16.5
125.05988	4.5
127.03889	2.7
128.06186	2.8
130.04092	2.2
131.04939	8.0
131.08551	2.8
133.06435	3.4
133.10149	2.0
135.04422	3.2
137.05959	100.0
138.06363	2.5
143.04919	6.3
144.05750	1.9
145.02788	2.0
146.03593	7.6
147.04396	5.5
149.02357	3.4
149.05978	5.9
149.13318	1.9
151.03876	8.0
151.07526	2.4
153.05458	4.4
155.04909	7.1
160.05283	2.9
161.05969	26.8
162.06686	4.0
165.05463	31.6
165.06844	4.0
167.07048	3.4
168.04259	2.2
171.04353	4.8
172.03871	4.3
172.05191	3.9
173.05957	3.3
175.07527	9.2
177.05484	13.0
178.07718	2.5
179.08551	6.4
181.06487	2.2
183.04332	2.3
185.05917	2.2
187.07477	6.4
189.05444	3.4
189.06865	10.7
190.07680	11.6
191.08534	18.9
192.08931	2.2
194.07201	3.5
201.07011	3.3
202.07790	6.4
203.06979	7.8
203.08534	3.3
204.06622	5.3
205.06485	7.4
206.07190	4.0
207.08063	12.9
208.08786	6.0
209.09525	2.0
215.06873	9.2
217.06436	3.8
218.07227	24.2
219.07988	32.3
220.08722	3.4
221.05963	7.4
221.09480	2.3
222.06683	2.5
223.07552	2.2
224.08411	2.5
225.09265	2.0
229.06522	5.6
230.07329	2.8
231.07993	4.9
232.08723	2.1
233.05934	3.5
233.09612	5.6
234.06755	11.6
235.07564	18.3
236.08205	9.6
237.05371	1.9
237.09027	3.9
245.05911	4.3
246.06720	19.9
247.07503	35.4
248.08224	6.9
249.05417	2.7
249.09068	11.4
250.06297	3.6
250.09908	2.4
251.06859	4.6
251.10663	4.1
253.08681	2.2
257.05978	12.3
258.06570	4.0
259.07425	5.1
261.09094	35.1
262.06244	7.2
263.06976	21.7
264.07779	15.4
265.05170	1.9
265.08575	5.3
267.10165	5.8
269.08188	2.8
274.06302	16.9
275.06992	15.6
276.07678	5.1
277.08618	27.8
278.09186	9.8
279.06641	3.9
279.10117	16.8
280.07077	2.2
283.09827	2.3
284.10471	3.0
289.08551	41.6
290.09235	6.9
291.06421	6.3
292.07220	4.7
293.08078	4.0
293.11420	2.9
294.08878	8.4
295.09656	7.3
297.11243	3.3
306.08896	11.9
307.09619	74.2
308.09860	4.2
309.07587	4.6
309.11200	18.2
309.14157	2.0
311.12769	3.6
321.11172	56.6
324.09995	2.8
327.12192	19.9
339.12228	33.2
340.12527	2.3
357.13187	8.0
357.20477	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1326
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
52.99977	1.3
53.03933	1.9
55.01861	20.8
55.05502	2.1
57.03426	1.8
64.64697	1.4
65.03933	4.8
67.05482	4.7
68.99755	1.6
69.03405	5.5
69.07062	3.5
71.04974	1.6
71.70982	2.6
79.05479	7.3
81.03400	5.1
81.07042	8.3
85.02894	3.2
85.06525	10.6
89.03903	2.7
91.05449	9.1
93.03375	3.0
93.07045	7.5
94.04164	5.4
95.04937	4.7
95.08600	5.5
97.06522	5.6
99.04413	1.8
99.08027	1.7
103.05453	7.5
105.07021	10.0
107.04932	6.5
107.08602	2.9
109.02887	2.8
109.06491	5.1
109.10146	2.3
111.04427	7.0
112.77483	1.3
115.05441	10.3
117.03385	3.6
119.04945	2.4
119.08543	3.6
121.06473	2.5
121.10131	5.4
122.03621	15.2
123.04401	6.4
123.08022	1.5
125.05973	4.7
127.03902	3.5
130.04128	1.6
131.04895	8.7
131.08571	3.0
133.06462	3.5
133.10080	1.9
135.04382	6.3
135.11676	2.0
137.05951	100.0
142.07791	1.4
143.04883	8.3
143.08549	1.5
144.05685	3.6
145.02850	4.3
145.06500	2.7
145.10045	1.6
146.03584	5.5
147.04379	5.8
149.02342	4.1
149.05949	4.9
149.09605	2.0
149.13269	2.2
151.03889	11.8
151.07416	1.6
153.05426	5.9
155.04872	4.5
155.05975	1.6
157.10072	2.0
159.04326	2.1
159.11617	2.3
160.05183	3.0
160.98326	1.6
161.05951	28.4
162.06653	3.9
163.03865	1.7
163.07521	5.0
164.62849	1.4
165.05463	25.9
165.06989	5.3
167.07019	3.2
171.04427	1.6
172.03833	3.3
172.05220	3.6
173.05978	4.1
175.07535	11.4
177.05486	12.6
177.06853	3.0
177.12698	2.4
178.07822	4.3
179.07088	1.5
179.08559	5.7
181.04930	1.9
181.06447	1.9
183.04370	3.4
185.05914	2.6
187.07498	7.5
189.05481	2.6
189.07011	9.5
190.07762	11.0
191.06972	2.8
191.08476	14.7
194.07335	1.6
195.08150	2.2
195.13802	3.0
197.05978	1.6
199.07439	1.5
200.04584	1.6
201.06979	2.0
202.07761	4.8
203.06966	9.6
203.08655	2.5
204.06520	6.2
205.06482	5.7
206.07280	2.9
207.06421	2.2
207.08075	11.1
208.08788	5.5
210.06860	1.8
215.06970	10.8
217.06444	4.2
218.07233	18.9
219.08058	31.5
220.08739	4.5
221.05939	4.2
221.09634	2.5
222.06734	3.2
222.13570	1.4
223.07558	3.0
225.08989	2.3
229.06389	8.4
230.07286	2.2
231.08054	4.9
232.08705	1.7
233.05940	3.3
233.09697	2.8
234.06731	9.6
235.07484	17.4
236.08275	9.7
237.05476	2.1
237.09081	4.6
245.05939	2.9
246.06708	17.7
247.07497	34.4
248.08290	6.7
249.05444	2.2
249.09058	14.2
250.06075	2.5
250.09860	2.9
251.07050	5.6
251.10793	4.1
252.07762	2.3
253.08377	2.4
257.05972	8.5
257.12415	1.7
259.07590	4.1
261.09094	25.2
262.06235	4.7
263.07034	13.1
264.07690	16.3
265.08554	8.7
267.10086	6.1
269.07980	3.4
274.06155	13.5
275.06964	15.7
276.07687	4.6
277.08545	26.5
278.09201	8.3
279.06424	4.6
279.10074	16.5
280.07043	2.2
284.10016	1.8
289.08542	36.4
290.09140	5.8
291.06509	4.8
292.07178	5.3
293.08136	3.0
293.11618	2.9
294.08722	7.2
295.09528	6.2
297.11337	2.0
306.08719	6.7
307.09595	90.2
308.10059	4.2
309.07590	3.2
309.11038	18.3
310.11694	1.9
311.12567	1.9
321.11203	43.3
322.11530	2.0
324.09726	2.3
325.10733	2.0
327.12228	30.7
339.12219	35.0
340.12735	2.3
357.09644	2.2
357.13953	10.7
357.18707	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1328
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
53.03917	0.5
55.01867	0.9
55.05492	0.6
57.03421	0.4
57.83784	0.3
60.02407	0.3
65.03938	0.8
66.04694	0.5
67.05489	1.2
69.03404	1.1
69.07046	0.5
70.06572	0.7
71.04979	0.7
71.69740	0.5
79.05481	1.8
81.03382	2.0
81.07050	2.0
84.04488	0.4
85.02887	0.6
85.06535	0.6
86.09688	1.8
87.10021	0.6
91.05434	1.9
93.03458	0.4
93.07023	1.1
94.04144	2.7
95.04945	0.9
95.08585	1.3
96.08017	0.3
97.02877	0.5
97.06516	0.9
99.04424	0.5
103.05453	0.4
105.07034	1.1
107.04939	0.8
107.08569	1.4
108.02090	0.4
109.02872	0.7
109.06506	0.6
109.10133	0.4
111.04403	0.5
111.18079	0.3
115.05424	1.8
117.07008	1.0
119.08582	0.6
121.06461	0.7
121.10156	0.7
122.03627	7.3
127.03851	0.7
128.06253	0.3
129.06973	0.9
131.04927	0.6
131.08469	0.4
132.10262	0.6
133.10078	0.6
135.11624	0.4
136.07501	0.5
137.05954	100.0
138.06300	2.3
141.05400	0.7
143.04895	5.9
143.80536	0.3
144.04417	1.1
145.06500	0.9
148.83200	0.4
149.05959	0.7
149.09625	0.4
149.13152	0.4
151.03886	19.8
151.04964	1.5
152.04204	0.5
155.04994	0.5
155.78552	0.3
157.06432	0.6
160.05209	0.5
161.05940	0.8
161.13246	0.3
162.05446	0.5
165.05464	0.9
166.08626	0.4
167.07025	0.7
171.04395	0.4
172.03906	3.7
173.05943	0.3
175.07481	2.2
177.05426	0.9
177.09097	0.5
177.12733	0.4
179.10590	0.5
187.07574	0.4
189.06967	0.3
189.09064	0.6
191.06935	0.5
195.13771	0.9
203.07004	3.8
204.06522	6.5
205.06836	0.6
205.08571	3.0
215.06927	0.6
219.08000	0.8
221.05801	0.4
233.07922	0.4
261.09076	0.4
265.08646	0.3
266.43185	0.3
269.08023	0.6
277.08612	0.4
279.09967	0.5
284.10275	0.6
293.08170	0.5
297.11002	0.5
307.09595	0.7
308.10248	0.4
311.12927	0.4
321.11197	1.0
324.10211	0.5
327.12213	10.2
328.12479	0.7
339.12280	1.5
357.13287	20.8
358.13370	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
53.96622	0.2
55.01860	2.1
55.05502	0.5
55.69254	0.2
59.65665	0.2
60.73023	0.2
65.03928	1.0
67.05477	0.9
69.03414	0.8
69.38821	3.0
69.75221	0.2
71.04977	0.5
79.05474	1.3
81.03405	0.9
81.07034	1.1
83.04967	0.3
85.02892	0.5
85.06544	1.4
89.03899	3.6
91.05470	0.9
93.07013	1.4
94.06552	0.6
95.04936	0.8
95.07331	0.6
95.08582	0.7
96.08107	1.1
97.02873	0.3
97.06500	1.3
98.21500	0.4
103.05436	0.8
105.07017	0.8
107.04975	0.3
107.08554	0.6
108.08105	1.1
109.02917	0.3
109.10143	0.6
110.09653	1.8
115.05435	0.6
116.04959	13.1
117.06947	0.3
119.08530	0.5
120.08067	1.3
121.10126	0.3
122.03650	0.4
122.06024	2.0
123.04408	1.2
127.03901	0.7
131.04883	0.8
132.04395	0.5
133.06453	0.4
133.10089	0.4
134.05968	1.3
135.04393	4.3
136.04701	0.6
136.07564	2.0
137.02335	2.0
137.05960	5.0
138.09128	1.6
139.03827	0.3
143.04880	0.7
144.04424	24.4
145.02794	0.4
145.04767	0.4
145.06430	0.3
145.10109	0.3
146.05981	0.9
147.04355	0.6
148.07547	0.7
149.02330	0.5
151.03877	1.1
159.04378	0.3
161.04706	0.5
161.05894	1.6
162.05478	8.3
163.03958	0.3
165.05440	0.3
166.08646	1.9
167.07077	0.3
172.03909	75.1
173.04333	1.3
173.05695	0.2
174.05408	0.4
175.07509	0.3
177.05438	0.9
179.07047	0.5
189.04007	0.4
189.05515	0.6
190.04971	0.8
195.13783	1.1
204.06531	100.0
205.06860	2.4
207.06444	1.4
235.07426	0.3
236.09526	0.2
243.06480	0.3
295.87833	0.3
304.25558	0.2
325.11502	0.7
327.08490	0.4
327.12152	0.3
339.13055	0.5
357.09470	0.9
357.14026	2.1
357.18854	0.5
367.80194	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.9
57.03430	0.6
59.54898	0.7
69.03410	1.6
70.06576	3.1
71.04944	0.6
71.69833	0.9
72.08134	2.5
73.04753	0.7
73.71448	0.6
79.05472	0.9
81.03390	1.6
81.07022	0.7
83.04960	0.9
84.08131	1.4
85.02872	2.7
85.04327	0.7
86.09702	1.4
91.05782	2.7
93.04501	1.1
93.07045	0.9
95.06075	1.9
97.02880	1.4
97.06546	0.6
98.97586	0.7
104.64366	0.6
105.01825	0.8
105.06999	1.1
109.02870	0.8
110.07156	6.4
116.07056	1.0
117.14782	0.6
119.04903	0.9
121.06501	1.9
124.07552	1.1
127.03922	1.2
128.04268	0.8
136.05040	3.6
136.06100	1.4
136.07570	1.0
137.05956	2.1
139.03906	0.9
141.09854	0.6
148.23355	0.6
149.05992	1.9
151.07620	0.9
161.06027	0.8
167.06967	0.7
176.03421	2.6
177.05449	1.7
177.08881	0.7
179.06956	1.0
181.04851	0.6
192.02937	0.9
195.02893	5.7
195.09747	0.7
203.05237	1.7
203.06937	1.0
221.04886	0.7
270.97586	0.8
287.00815	1.1
293.06973	3.3
293.09723	0.8
311.07690	5.4
357.08054	5.5
357.15152	100.0
358.15533	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	357.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.0
56.82305	0.5
58.98718	0.5
69.03410	0.6
69.53030	3.3
69.53441	1.5
70.06580	3.7
72.08150	9.1
73.04732	0.6
79.05492	1.0
81.03416	0.8
81.07031	0.6
84.08127	0.6
85.02879	0.7
86.09682	1.3
91.05811	3.2
97.02852	1.3
98.97607	0.6
100.03995	0.7
107.04910	0.8
107.08599	0.5
109.02853	0.8
109.06432	0.6
115.08660	1.4
116.07076	4.7
131.83397	0.5
136.06158	1.6
137.05936	3.8
143.08089	1.1
149.05986	1.0
161.05894	1.0
162.32405	0.5
167.07018	0.9
177.05524	0.7
191.08476	0.7
194.04436	0.7
195.02823	2.5
195.06413	0.6
195.10005	0.6
197.12796	0.7
203.06958	0.9
215.13736	0.6
236.08362	0.8
242.14972	0.9
267.10220	0.6
279.10327	0.7
287.00623	0.8
297.11142	0.6
311.07651	0.8
325.10388	0.7
339.12170	0.9
357.15161	100.0
358.15524	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	358.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.5
57.07067	6.8
58.06585	0.6
62.06074	0.5
68.05017	0.4
69.07066	0.3
70.06581	13.7
71.06908	0.2
71.08627	3.0
71.70885	0.2
79.05467	0.2
83.08607	0.3
85.10169	1.3
86.06031	0.4
87.04453	0.3
88.07617	17.2
102.09167	4.5
105.06978	0.2
106.08650	9.1
124.96454	0.2
133.10109	0.3
135.11734	0.2
296.32999	0.4
314.34171	0.8
340.31601	0.4
340.35709	7.0
341.36035	0.6
358.36728	100.0
359.37079	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	359.0756
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
53.03915	0.4
55.01833	0.7
55.05484	1.6
55.05724	0.4
57.03408	0.7
67.05482	2.3
68.96784	0.4
69.03398	1.3
69.07042	1.5
69.70921	2.4
71.04954	0.9
79.05480	2.3
81.03406	2.1
81.07047	3.8
83.04956	0.8
83.08591	0.7
85.02875	1.1
85.06524	1.7
91.05447	1.9
93.07034	2.4
95.04933	1.1
95.08601	3.7
97.02882	0.7
97.06526	1.8
99.04436	0.8
103.05422	0.4
105.06984	2.0
107.04921	0.6
107.08556	1.6
109.02840	1.3
109.06526	0.7
109.10102	1.2
111.04433	0.4
111.08057	0.5
117.07045	0.4
119.08550	2.5
121.06465	0.7
121.10120	1.3
123.08012	0.5
123.11682	0.4
127.03853	0.6
131.08546	0.8
133.06465	0.4
133.10118	2.0
135.04413	0.5
135.08020	0.4
135.11630	1.1
137.05917	1.2
137.09576	0.5
141.07016	0.4
143.08519	0.6
145.10098	0.7
147.04388	0.4
147.08029	0.5
147.11674	0.7
149.05920	0.6
151.07503	0.7
153.01782	1.6
154.02499	0.5
155.08559	0.6
157.10066	1.0
159.11665	0.8
161.09512	0.4
161.13206	1.4
167.07050	0.5
173.05836	0.4
173.13145	0.6
179.14253	1.0
181.06447	0.4
181.10197	0.4
185.13200	0.6
187.14690	0.4
207.08154	0.4
209.15573	0.3
216.04166	6.4
219.13835	0.4
223.02213	0.4
241.05009	0.7
242.05708	4.4
244.03574	0.5
245.04564	0.6
255.06503	0.4
258.05182	3.2
259.05823	0.6
267.06558	0.4
269.04337	0.7
270.05197	14.8
272.03140	1.7
273.03931	1.6
281.07980	0.7
285.03833	0.9
286.04599	1.3
287.05466	12.7
288.06201	0.5
298.04709	0.4
299.05444	1.4
301.03323	2.6
302.04166	4.3
313.03314	2.2
315.04941	64.0
316.05688	14.7
323.18533	1.5
331.04477	1.0
331.11661	1.0
341.10303	0.7
341.19806	0.6
344.05209	1.5
359.07553	100.0
360.07962	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
54.10725	1.6
55.01847	2.3
57.03420	3.0
61.02898	5.4
67.05477	2.5
69.03419	14.7
69.07056	2.3
70.85907	4.5
71.04970	2.3
72.08130	10.6
73.02895	3.1
79.05435	1.9
81.03419	6.9
81.07045	2.2
84.08128	1.6
85.02894	36.6
86.09673	5.4
87.04459	1.3
87.21274	1.4
91.03944	2.9
91.05441	5.9
93.07040	8.2
95.04926	2.7
95.08572	4.9
97.02884	14.7
97.06495	2.1
99.04439	2.5
105.07017	10.0
107.04908	1.8
107.08579	64.9
108.08894	1.8
109.02841	3.6
109.06483	2.8
109.10131	13.1
119.08541	3.6
121.06522	1.9
123.08015	1.6
127.03897	8.2
131.04893	2.1
133.10114	26.2
135.11667	11.8
137.05931	3.7
137.09601	6.5
142.03265	1.8
145.02823	2.7
145.04947	8.5
151.11153	3.7
161.09587	8.6
162.81123	1.6
177.05400	3.3
179.10651	28.8
197.11694	100.0
198.12021	3.2
228.59233	1.7
254.62816	1.6
355.18243	1.5
359.16360	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	359.1694
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.05502	1.1
57.03407	2.0
61.02896	2.3
69.03408	5.2
69.77300	8.0
79.05485	1.9
81.03386	2.9
81.07034	2.1
85.02897	28.2
86.09686	3.6
91.03895	1.3
91.05455	3.8
92.80251	1.2
93.07031	7.9
95.04932	2.2
97.02901	6.4
103.17477	1.5
105.06987	8.5
107.08581	22.1
109.02821	1.9
109.06517	1.8
109.10127	1.7
119.08591	1.9
121.06487	1.7
127.03870	3.9
133.09105	0.9
133.10104	25.1
135.11673	23.4
137.05960	1.6
137.09598	1.6
145.04953	2.1
151.11172	1.8
161.08372	1.7
161.09590	12.4
170.58105	1.3
179.10631	41.9
197.11684	100.0
198.12036	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1693
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
50.31686	0.9
53.99668	0.8
55.01854	3.3
55.05500	1.3
57.03423	2.2
61.02917	1.8
67.05482	3.0
69.03414	4.6
69.07020	1.3
69.61545	0.9
70.03827	4.8
71.04963	2.9
73.02885	1.4
79.05473	3.1
81.03399	2.8
81.07039	4.1
83.04958	1.3
85.02888	12.3
86.09682	4.2
91.05470	4.3
93.07019	7.6
95.04949	1.7
95.08590	3.0
97.02867	2.6
97.06516	1.5
98.20641	0.9
99.04443	1.3
103.05420	1.2
105.07008	8.5
107.04964	2.2
107.08573	37.2
109.02847	2.2
109.06506	1.8
109.10124	2.9
111.04391	1.1
115.05448	1.5
119.04943	2.3
119.08577	6.3
121.06518	2.1
121.10117	7.7
123.04430	2.2
123.07996	0.9
123.11681	1.1
125.09644	1.6
127.03881	1.5
131.04919	2.0
131.08481	1.3
133.10098	20.3
133.11017	1.5
135.11644	1.2
137.02309	2.5
137.05945	12.3
137.09573	1.6
139.07545	1.3
145.04929	1.2
147.04419	2.4
149.09595	4.9
151.03886	5.1
151.04974	1.1
151.07523	2.4
151.11151	6.6
153.05472	1.3
161.05989	1.4
161.09558	5.7
165.05515	1.4
165.07021	1.0
167.07144	1.0
167.10672	14.6
175.07533	1.4
177.05499	1.9
179.07005	2.0
179.10626	18.3
179.14175	1.1
197.11691	100.0
198.12032	2.1
201.12447	1.3
205.04944	1.3
235.07568	1.7
238.54610	0.9
245.42270	1.1
251.06985	1.3
253.08537	1.5
261.64493	1.1
274.36356	1.0
281.08228	1.4
309.07327	0.9
313.10583	2.0
323.08868	1.3
329.13846	1.9
331.11740	2.2
341.10181	2.3
359.11179	3.0
374.13156	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69041	6.5
53.03921	9.3
54.19946	6.9
55.05512	44.9
57.03431	11.3
67.05499	62.6
69.03423	37.7
69.07063	30.5
71.04989	23.0
71.70998	9.6
79.05482	41.9
81.03410	51.1
81.07045	98.1
83.04977	20.1
83.08617	18.7
85.02897	34.8
85.06522	18.3
91.05472	50.9
91.75573	7.1
93.07034	58.0
95.04962	18.8
95.08604	100.0
97.02872	21.0
97.06513	24.5
97.10201	10.7
99.04427	11.1
105.07006	53.4
107.04935	9.6
107.08606	23.1
109.02879	20.2
109.06505	19.5
109.10145	22.3
111.04419	10.4
111.08071	18.4
115.05402	7.8
117.07033	15.4
119.08560	46.6
121.06495	15.6
121.10158	25.6
121.43309	6.5
123.04430	7.1
123.08070	13.5
127.03880	15.6
129.07024	6.5
131.08574	18.6
133.06509	7.8
133.10133	30.7
135.07993	8.2
135.11664	21.0
137.05956	13.6
143.08551	11.6
145.06409	7.5
145.10101	20.7
147.11682	7.1
149.05951	9.8
149.09575	7.5
151.07518	16.2
157.10098	11.0
159.08049	9.3
159.11659	9.3
161.09590	12.8
161.13258	57.6
162.67517	8.1
163.07457	7.7
167.07042	12.4
167.83562	6.0
171.11618	6.0
173.05919	9.5
173.11829	7.4
173.13220	8.6
173.71555	7.4
175.07533	10.1
177.41916	6.4
179.14325	27.0
189.12697	8.6
197.15405	12.6
209.15503	10.1
225.14987	7.7
237.14923	11.3
263.16418	7.3
277.18085	8.5
287.16434	12.4
305.17575	18.6
318.56812	7.0
323.18472	43.4
341.19992	9.4
359.14899	8.3
359.22189	14.0
359.26276	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	359.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61610	3.7
53.03940	10.2
55.01849	13.3
55.05506	40.6
57.03436	8.4
65.03907	4.8
67.05492	67.7
69.03423	45.0
69.07059	32.9
70.99401	10.6
71.01371	4.8
71.04971	20.5
73.02905	8.1
79.05480	45.9
81.03408	54.1
81.07047	100.0
83.04974	24.2
83.08599	17.6
85.02901	26.0
85.06528	25.0
91.04939	4.6
91.05466	47.6
93.07030	40.1
94.07298	3.9
95.04969	20.3
95.08591	96.8
97.02861	19.9
97.06514	46.5
97.10136	8.2
99.04446	10.7
99.08067	7.4
100.21917	3.3
101.05885	3.6
103.05453	4.2
105.07013	44.8
107.04982	4.4
107.08598	25.1
109.02853	19.2
109.06503	17.2
109.10136	24.1
111.04415	13.8
111.08035	8.4
115.05425	3.5
117.06968	10.9
119.04948	5.2
119.08556	45.4
119.83834	3.4
121.06490	15.0
121.10150	19.4
123.04451	4.5
123.08056	19.7
125.09596	5.0
127.03899	15.1
129.06956	9.3
131.08507	8.0
133.06470	6.9
133.10121	35.3
135.08060	8.5
135.11644	14.3
137.05930	6.3
137.13245	6.8
139.07526	4.3
143.08548	10.4
145.04858	3.4
145.10103	11.0
147.04390	9.2
147.08009	9.1
147.11687	6.8
149.05969	3.9
149.09601	5.2
149.13234	7.0
151.07529	15.5
154.30080	3.1
155.08527	4.6
155.10548	4.0
157.10138	6.5
159.08078	8.1
159.11688	12.1
161.05904	5.4
161.09570	6.6
161.13239	59.7
165.05379	4.4
165.12607	3.8
167.07045	6.9
169.10176	5.3
171.08003	6.3
171.11639	5.2
173.09566	5.4
173.11722	8.6
173.13200	6.4
175.07538	5.0
177.12787	6.9
179.14275	34.0
183.08026	3.3
185.13234	4.2
187.07591	3.9
189.12665	3.7
195.13792	4.4
197.15302	10.4
198.31482	3.2
207.13702	4.1
209.15219	4.3
213.18903	3.5
225.14859	6.8
237.14780	13.1
263.16336	7.2
270.05002	3.6
277.18030	5.5
278.51050	3.8
281.08072	5.4
287.16409	12.5
305.17178	18.2
313.10483	9.1
315.05054	8.2
323.18488	42.4
331.11725	4.0
341.19534	19.2
359.07675	14.6
359.14987	4.9
359.21899	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.4
55.01860	11.5
55.05497	35.7
57.03431	7.7
58.22267	3.7
59.72796	3.4
61.00750	3.3
67.05495	65.1
69.03420	38.8
69.07073	25.5
70.43150	12.7
71.04978	22.4
79.05482	38.8
81.03405	55.2
81.07043	82.6
83.04973	22.0
83.08618	20.1
85.02876	28.3
85.06540	17.4
91.05454	40.6
93.07034	45.4
95.04957	12.1
95.08591	100.0
97.02880	18.1
97.06517	32.9
97.10167	12.2
99.04443	8.2
99.08100	6.2
103.05464	4.6
105.07011	40.5
107.04947	9.1
107.08562	27.2
109.02875	17.0
109.06489	12.5
109.10137	17.8
111.04413	7.2
111.08090	10.9
117.06985	9.2
119.08575	47.6
121.06508	9.2
121.10099	18.8
123.08045	14.3
125.09591	4.2
127.03880	19.7
129.07005	7.1
131.08578	13.4
133.10104	30.7
135.08040	8.5
135.11685	15.3
137.06017	4.3
137.09636	6.4
137.13235	11.8
139.07484	4.6
143.08577	5.2
145.06395	4.4
145.10103	11.2
147.08044	5.6
147.11694	7.5
149.05966	5.2
151.07538	14.7
159.11674	11.4
161.13235	46.3
163.11212	5.0
167.07022	4.2
171.11696	6.1
173.09630	4.0
173.11787	7.6
173.13248	6.2
175.11243	4.5
175.14832	3.7
177.12653	6.3
179.14258	28.5
183.11722	6.5
185.09489	3.6
189.09241	3.9
195.13843	4.3
197.15318	11.5
207.13785	5.5
209.15436	4.5
209.41782	3.6
213.14755	4.1
225.14795	5.7
237.14818	20.3
244.91805	3.8
249.14963	5.4
258.49149	4.1
263.16306	5.2
277.17828	4.3
287.16467	9.8
305.17279	18.5
313.06885	3.8
323.18417	41.7
341.19641	18.2
357.46539	4.4
359.11279	8.8
359.22083	4.8
359.26157	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	359.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.3
53.69756	3.3
55.01863	7.0
55.05508	33.3
57.03426	9.2
57.07069	5.0
61.02903	4.4
67.05495	56.7
69.03430	34.3
69.07056	29.8
71.04987	25.4
71.70839	5.1
79.05481	34.9
79.75243	3.6
81.03404	54.5
81.07043	100.0
83.04967	21.8
83.08583	19.6
85.02897	29.7
85.06525	17.9
91.05454	43.8
93.07030	49.2
95.04967	16.1
95.08592	92.8
97.02893	20.4
97.06512	32.6
97.10159	7.4
99.04450	7.8
99.08117	6.5
101.12836	3.5
105.07015	46.8
107.04955	6.8
107.08588	25.8
109.02855	21.6
109.06517	14.8
109.10153	23.6
111.04467	10.7
111.08076	7.2
115.05451	4.0
117.07018	9.4
119.08572	46.1
121.06494	9.0
121.10116	20.3
123.04421	6.0
123.08058	12.5
125.09669	4.2
127.03876	21.9
128.03340	4.0
128.06223	4.2
129.06987	4.4
131.04912	6.9
131.08565	12.8
133.06485	7.0
133.10127	29.3
135.04324	4.2
135.08073	9.5
135.11682	17.2
137.05966	9.8
137.09615	6.7
137.13297	11.1
139.07463	4.1
141.07002	3.8
143.08513	8.3
143.62766	3.8
145.06487	5.7
145.10110	10.3
147.04424	4.4
147.07991	4.0
147.11665	7.0
149.05956	8.2
149.09612	4.7
149.13161	5.1
151.07512	17.1
155.08592	5.3
157.10123	11.3
159.08107	7.1
159.11681	10.3
161.09596	5.5
161.13226	55.1
163.07477	4.5
165.07004	4.6
165.09003	4.3
167.07121	6.0
167.08472	4.4
169.10085	6.9
171.08034	5.0
173.11806	6.1
175.07594	6.4
177.12679	4.4
179.14258	35.0
183.11636	5.6
187.14844	4.9
195.11781	5.4
195.13843	5.4
197.15395	5.8
207.13829	5.4
219.13649	6.1
223.14749	3.6
225.14787	7.2
237.14847	11.3
251.16379	8.2
263.16293	6.5
279.91409	3.5
281.08041	4.4
285.92929	3.4
287.16418	10.5
305.17435	23.5
305.20514	3.9
313.10797	6.7
323.18463	41.0
331.11905	6.0
341.10248	6.2
341.19904	20.5
359.15002	6.0
359.22086	15.4
359.26160	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	359.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.7
54.88607	2.8
55.01857	8.9
55.05506	34.4
57.03421	12.2
57.07045	3.2
60.47153	2.7
65.03918	4.4
67.05496	56.8
67.77339	2.7
69.03420	39.1
69.07053	28.8
69.56723	26.4
71.04978	27.5
79.05492	38.0
81.03404	53.9
81.07045	100.0
83.04980	22.3
83.08633	21.9
85.02893	33.1
85.06528	22.7
91.05469	46.0
93.07032	54.8
95.04949	22.7
95.08595	97.0
97.02892	20.3
97.06531	42.4
97.10151	5.7
99.04426	12.2
99.08061	10.1
105.07020	51.0
107.04950	10.4
107.08576	27.1
109.02863	20.3
109.06521	15.8
109.10145	25.4
111.04434	8.6
111.08066	15.4
115.05437	6.5
117.07020	11.9
119.08570	42.9
121.06490	12.4
121.10085	17.1
123.04370	3.9
123.08039	12.3
123.11720	6.2
125.05930	4.0
125.09608	3.9
127.03904	21.0
127.07581	3.0
128.06183	4.9
129.07014	5.2
131.04922	6.0
131.08546	16.4
133.06497	8.5
133.10110	34.2
135.08057	10.0
135.11708	15.9
137.05965	9.7
137.09648	8.3
137.13223	6.9
139.07465	3.2
141.07027	3.8
143.08548	8.2
145.04887	4.2
145.06473	4.5
145.10115	10.3
147.08044	9.6
147.11671	6.7
149.05965	8.5
149.09613	6.0
149.13281	6.7
151.07567	17.9
153.01906	3.1
157.06436	3.5
157.10059	5.2
159.08070	7.1
159.11691	13.0
161.05896	5.7
161.09605	6.3
161.13249	58.4
162.13565	4.4
163.07559	4.0
163.11159	4.2
165.05479	3.6
165.09044	4.3
167.07059	8.4
171.07974	3.9
171.11688	11.0
173.09683	7.4
173.11667	10.2
173.13155	5.9
175.07532	6.0
175.11119	4.5
177.05457	3.5
177.12779	5.1
179.08549	3.4
179.14308	27.7
181.09985	4.0
183.11565	3.6
185.13333	6.9
187.03867	3.6
187.11136	3.8
189.09149	3.6
189.12695	4.8
195.12001	3.3
197.13245	4.3
197.15334	10.5
199.07556	4.3
199.14648	3.2
207.13795	5.2
209.15353	6.6
219.13780	5.3
221.15427	4.4
225.14748	6.9
235.07579	5.4
237.14844	12.9
249.14940	4.0
253.08472	4.5
263.16348	6.9
281.08060	7.0
281.17657	3.8
287.16348	10.3
305.17419	26.2
313.10684	8.0
323.09302	3.8
323.18503	42.1
331.11716	9.8
341.10226	10.4
341.19308	15.7
359.14844	7.9
359.22189	7.6
359.25861	22.5
360.16379	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	359.2573
Annotation	16-Butyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol
Peak:m/z	Relative Intensity
51.02352	0.6
53.03918	1.0
55.01851	2.3
55.05495	4.5
57.03438	0.8
57.07063	1.5
59.04996	0.8
65.96745	0.6
66.98046	0.7
67.05489	7.2
69.03410	2.4
69.07057	4.7
71.04979	1.1
71.70043	1.5
71.70437	0.8
79.05477	6.8
81.03392	3.0
81.07049	9.6
83.04977	6.4
83.08591	2.7
85.02886	2.1
85.06526	1.7
88.99825	0.8
91.05467	6.5
93.07028	11.3
95.04941	1.5
95.08598	13.5
97.02849	1.0
97.06515	11.7
97.10147	1.1
97.83543	0.7
99.08073	2.7
103.00067	0.6
103.05391	0.7
105.06330	1.2
105.07018	12.4
107.04930	2.5
107.08575	13.9
109.06527	3.4
109.10130	11.0
110.05550	0.7
111.08032	3.2
113.09612	0.7
117.06989	2.9
119.08562	19.4
119.09412	1.3
121.06495	3.2
121.10126	9.0
123.08067	4.3
123.11694	3.4
125.09586	1.5
127.49277	0.6
128.06181	2.2
129.07007	2.4
131.08543	5.9
133.06462	2.1
133.10104	13.8
135.08015	2.6
135.11678	4.7
137.09602	5.7
137.13216	1.4
139.11082	0.8
142.07744	1.7
143.08528	7.7
145.10112	13.6
147.08031	7.9
147.11667	8.9
149.09595	7.8
149.13220	2.8
151.07510	1.5
151.11150	3.3
155.08495	1.7
156.09319	2.6
157.10123	4.7
159.08012	1.3
159.11676	6.9
161.09592	7.7
161.13231	5.5
163.11147	5.2
163.14795	1.6
165.12814	0.8
167.07196	0.8
169.10104	3.1
171.11682	10.2
173.09593	1.8
173.11768	1.5
173.13245	3.8
174.10367	1.4
175.11150	2.9
175.14790	1.4
177.12770	2.4
177.16368	1.6
179.14236	1.6
181.10052	0.9
183.11711	2.0
185.13225	3.2
187.11194	1.9
187.13217	1.4
187.14769	8.6
188.15404	0.9
189.12712	16.6
189.16528	0.9
190.13118	0.8
191.14297	1.5
195.11740	1.0
195.13680	1.3
197.13283	2.2
199.14748	3.5
201.12701	2.0
201.16426	1.0
203.14243	4.0
205.15845	14.0
209.13210	1.7
211.14780	1.3
213.16304	1.8
215.14291	1.3
217.15849	0.9
221.13133	1.2
223.14824	1.4
223.16910	2.5
225.16394	1.3
229.15927	0.9
235.14938	1.3
239.17841	1.1
241.15926	0.7
243.17397	1.7
249.16249	1.1
253.15985	1.0
265.19412	1.3
267.17429	1.0
283.20590	2.6
305.22498	1.4
313.25284	1.9
323.18393	1.0
323.19849	1.0
323.23611	9.0
341.20688	1.2
341.24664	13.7
348.71408	0.8
359.25751	100.0
360.26199	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
55.05503	100.0
56.05814	0.9
57.07063	1.0
65.03937	0.9
67.05497	7.6
69.07058	4.6
75.51493	0.8
79.05482	13.8
81.07044	13.5
83.08608	58.1
91.05476	7.1
93.07031	24.7
95.04942	2.1
95.08584	9.0
105.07018	5.7
107.08573	14.7
109.10124	4.7
117.06998	2.0
119.08559	6.3
121.10126	13.1
123.11695	1.5
129.06993	1.2
131.08569	2.1
133.10126	5.8
135.11670	12.2
145.10115	2.5
147.11667	4.9
149.13248	8.2
152.17915	1.0
159.11642	1.5
161.13257	3.3
163.14801	3.3
171.11679	1.7
173.13264	2.0
203.18002	1.0
221.15456	0.9
229.34326	1.0
235.16985	1.1
237.37033	0.9
241.19455	1.2
259.20456	1.8
275.19998	1.7
277.21600	17.3
278.21881	1.1
359.29416	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	359.315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.0
57.03416	5.9
57.07071	100.0
60.67619	4.6
67.05504	33.6
69.07049	20.9
70.06582	7.2
71.08629	76.9
71.72110	8.8
71.72486	7.2
81.07050	37.5
83.08605	27.4
85.10184	38.3
95.08598	54.5
97.10170	28.2
105.03757	23.3
109.10132	26.3
111.11702	11.0
122.06365	11.8
123.11672	17.3
176.08580	6.0
267.27020	6.0
296.29443	49.9
341.30496	73.8
359.37231	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.8
55.05495	13.8
59.04977	8.8
63.85049	6.9
63.97125	7.4
67.05491	90.7
69.07058	15.5
70.93134	24.0
71.04980	7.0
79.05461	21.2
81.07029	23.6
83.08619	15.3
87.04473	7.2
88.33287	9.3
91.05454	17.2
93.07072	15.5
95.08610	29.7
96.57774	6.4
97.10145	29.7
103.07826	7.0
105.07021	11.3
105.08353	7.1
107.08598	47.5
109.10143	89.4
119.08584	18.6
121.10157	7.7
125.09634	20.4
131.08553	9.6
135.08023	7.2
137.09572	11.0
145.10141	10.3
155.10617	18.4
173.11703	100.0
187.13252	63.4
203.12755	22.9
235.94414	7.3
249.15547	6.2
269.13113	8.1
275.19965	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	360.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	8.4
55.05499	34.3
55.92992	4.5
58.13437	7.4
59.04980	7.2
67.05497	55.5
69.03406	7.1
69.07047	34.8
70.06588	5.0
71.04981	69.8
71.32009	8.8
79.05489	63.7
81.07042	31.3
83.08624	26.0
91.05460	18.4
93.07033	60.5
95.04967	10.3
95.08591	29.9
95.24614	5.2
97.06502	17.9
97.10152	25.1
105.07010	23.0
107.08579	37.4
109.10145	45.4
117.07014	5.7
118.89275	5.1
119.08557	12.5
121.10123	66.6
123.11795	6.8
125.09615	17.2
131.08524	8.4
133.10117	13.6
137.09546	8.1
145.10121	10.0
149.09619	6.2
153.12767	26.2
155.10672	11.6
159.11722	7.2
173.11711	100.0
189.11172	21.2
275.20026	30.4
351.27121	5.6
355.70700	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	360.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.8
55.05495	13.8
59.04977	8.8
63.85049	6.9
63.97125	7.4
67.05491	90.7
69.07058	15.5
70.93134	24.0
71.04980	7.0
79.05461	21.2
81.07029	23.6
83.08619	15.3
87.04473	7.2
88.33287	9.3
91.05454	17.2
93.07072	15.5
95.08610	29.7
96.57774	6.4
97.10145	29.7
103.07826	7.0
105.07021	11.3
105.08353	7.1
107.08598	47.5
109.10143	89.4
119.08584	18.6
121.10157	7.7
125.09634	20.4
131.08553	9.6
135.08023	7.2
137.09572	11.0
145.10141	10.3
155.10617	18.4
173.11703	100.0
187.13252	63.4
203.12755	22.9
235.94414	7.3
249.15547	6.2
269.13113	8.1
275.19965	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	361.0911
Annotation	3,5,7-TRIHYDROXY-3',4',5'-TRIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
54.06554	0.2
54.24697	0.3
55.01851	0.4
55.05504	0.5
65.03915	0.3
67.05467	0.7
68.99777	1.0
69.03408	1.1
69.07043	0.7
71.70486	0.5
79.05479	1.5
81.03414	0.8
81.07021	1.1
85.02881	0.5
90.04649	0.4
91.05474	1.4
92.06244	0.4
93.03385	0.4
93.07038	1.2
95.04987	0.7
95.08562	1.0
97.06517	1.9
103.07393	0.2
105.03332	0.4
105.06986	0.6
106.04128	0.3
107.04937	0.8
107.08574	0.8
108.05731	0.3
109.02844	1.2
109.06516	0.5
109.10128	0.3
110.03693	0.3
110.85127	0.2
111.00779	0.5
111.04408	0.9
111.08054	0.3
116.01006	0.3
116.55978	0.3
117.03323	0.3
118.04138	2.7
119.04916	0.6
119.08540	0.5
120.05740	0.3
121.02838	0.8
121.06492	0.8
121.10110	0.7
123.04371	0.7
125.05953	0.4
129.06969	0.4
131.04918	0.3
131.08563	0.6
133.02809	0.5
133.06496	0.4
133.10056	0.3
134.03610	0.5
135.04387	1.1
135.11646	0.3
137.02280	1.7
137.05959	0.9
139.03871	4.6
142.07697	0.3
143.08498	0.5
145.06454	0.7
145.10089	0.5
146.03615	1.7
147.04372	1.0
147.08066	0.4
147.11583	0.3
148.05141	0.5
149.02359	0.4
149.05983	1.0
151.03922	0.8
151.07533	0.5
152.04646	0.6
153.01804	13.0
153.05409	1.9
159.04416	0.3
159.08058	0.4
159.11673	0.3
161.02295	0.3
161.05974	0.4
161.13223	0.3
163.03868	0.5
164.04645	1.7
165.01811	3.5
165.05452	1.2
166.06236	0.5
167.03360	0.4
167.07016	10.0
168.07802	2.2
169.10205	0.3
171.07932	0.3
171.11679	0.3
173.06036	0.3
174.03050	0.6
175.03902	0.3
175.07533	0.5
176.04671	5.1
177.01909	0.3
177.05391	1.2
177.06813	0.3
179.03371	0.7
179.07025	0.4
181.08612	0.8
183.02861	0.8
187.03891	0.6
189.05458	0.3
192.04193	0.8
193.04991	0.6
193.84273	0.3
194.02054	0.4
195.06476	2.3
197.04330	0.3
201.05458	1.0
203.03352	0.5
205.04926	0.7
207.06567	0.4
209.13231	0.4
213.05510	0.9
215.03389	0.4
215.07033	0.6
217.04735	0.3
219.02852	0.5
219.10158	0.9
221.04359	0.6
221.08031	1.2
226.06125	0.3
229.04915	3.0
230.05537	0.6
231.02815	0.3
233.04372	0.9
235.06026	0.3
241.04912	0.8
242.05682	0.6
243.02963	0.7
243.06480	1.2
244.03578	0.5
244.07370	0.8
245.04398	0.6
245.08115	0.5
245.11487	0.3
246.05295	0.4
247.05988	0.3
253.05067	0.4
254.05722	0.5
255.06418	0.5
257.04388	2.7
258.05203	1.2
259.05957	1.2
260.03165	0.8
260.14136	0.4
261.03885	2.7
264.99094	0.2
269.04443	1.3
270.05103	0.7
271.02692	0.4
271.05957	7.5
272.06735	2.1
273.03900	0.6
273.07483	0.6
274.04660	0.7
275.05392	1.0
283.02783	0.3
283.06018	1.0
284.03058	0.4
285.03894	3.7
286.04688	1.1
287.05426	3.7
288.06268	0.3
297.03879	1.1
298.04755	0.5
299.02176	0.5
299.05460	4.3
300.06204	3.0
301.03665	0.3
301.06992	5.1
302.04111	1.8
302.07776	0.8
303.04956	3.2
304.04962	0.3
305.10178	2.5
306.80634	0.4
313.03369	2.0
314.04080	0.7
315.01297	0.6
315.04953	10.6
316.05545	1.0
317.03174	0.4
317.06534	4.9
318.07135	0.4
327.04990	2.8
328.05676	1.4
329.06323	1.7
330.07361	4.4
331.04443	10.4
331.07867	0.4
332.05084	0.5
332.08951	0.7
343.22772	0.5
345.05984	4.1
346.06735	1.5
361.09109	100.0
362.09467	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	361.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01863	0.8
55.05511	2.1
57.03426	6.6
65.03911	0.6
67.05494	5.3
69.03417	1.8
69.07042	1.1
69.73215	0.5
70.04765	1.8
71.04964	0.9
79.05482	4.7
81.03403	23.6
81.07037	4.5
83.04966	1.6
83.08601	4.4
85.02888	1.1
86.09682	0.4
91.05471	4.8
91.36863	0.4
93.07021	4.5
95.04961	7.1
95.08592	3.4
97.02870	0.9
97.06512	4.7
97.10191	0.6
99.04379	0.6
99.08056	0.4
103.05454	0.7
105.07014	3.5
107.04914	2.4
107.08569	2.7
109.02882	1.8
109.06493	1.7
109.10131	1.5
111.04426	1.1
111.08057	2.1
112.99997	100.0
113.09574	0.7
115.03912	0.4
115.05467	0.8
117.05521	0.4
117.07001	1.2
119.08545	3.2
121.06475	1.5
121.10115	2.1
123.04421	0.8
123.08033	0.7
125.05991	0.5
125.09635	1.3
128.06221	0.7
129.07002	2.1
131.01088	1.1
131.04964	0.5
131.08546	2.6
133.06462	1.0
133.10118	1.5
135.04372	0.6
135.08055	0.7
135.11649	0.8
137.02367	0.5
137.05954	1.7
137.09604	0.8
142.07767	0.9
143.08496	1.2
145.06505	0.5
145.10052	1.0
147.04384	0.9
147.07999	1.1
147.11678	1.5
149.05937	1.3
149.09578	1.2
151.07574	0.7
151.11128	0.5
155.08513	0.6
157.10118	2.6
159.08092	0.6
159.11678	0.7
161.13161	0.6
163.03818	0.5
163.07430	0.7
163.11177	0.7
165.05548	0.5
167.07068	2.2
169.02586	92.5
170.02954	1.7
171.07867	0.5
171.11682	0.6
173.09593	0.5
175.11154	1.7
175.27661	0.5
177.05409	1.1
179.06978	0.7
181.04994	0.8
183.11784	0.5
185.13113	0.6
187.07516	0.6
187.11096	0.7
191.07005	0.6
193.05107	0.5
193.12209	15.0
194.12549	0.6
195.07990	0.5
199.07545	0.9
199.14850	0.8
207.13823	0.8
217.12198	0.5
219.10164	2.3
231.10072	0.6
231.93791	0.5
241.69370	0.5
255.11098	0.6
263.12704	0.9
303.12473	0.5
343.15536	0.8
361.09155	1.0
361.13687	2.0
361.20328	0.9
361.24457	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71110	1.4
61.02921	2.4
61.87123	1.8
65.03922	2.2
66.73280	1.5
69.03407	6.0
69.07008	1.5
70.06577	4.1
71.04958	2.2
71.25928	4.3
72.08136	2.0
74.06051	4.8
79.05480	9.2
79.05858	1.6
81.03400	2.5
81.07040	20.2
84.04475	4.7
85.02901	8.4
86.09697	7.4
91.05457	6.0
93.07023	2.3
95.04937	4.8
97.02887	5.6
109.06499	25.3
114.05548	1.5
119.04896	6.9
121.06384	2.3
124.07492	2.3
127.03884	3.0
136.07544	5.5
137.05957	68.4
140.07001	3.3
142.08632	2.2
147.04373	9.5
147.09113	2.2
150.05519	1.8
154.08585	2.8
155.55365	1.5
156.25340	1.7
165.05447	100.0
173.12773	1.9
182.11734	2.2
183.06520	5.3
203.10185	4.9
215.13768	1.7
231.09741	4.7
259.77570	1.7
309.09610	1.6
344.15695	2.4
344.19257	2.3
362.11798	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1451
Annotation	Leptoclinidamine B
Peak:m/z	Relative Intensity
55.03011	0.5
55.05505	3.9
56.05042	1.1
57.47523	0.5
60.05646	0.9
67.83639	0.5
68.05031	0.7
69.03409	0.8
69.07052	0.9
70.06017	2.9
70.06578	63.6
71.04980	5.2
71.06919	0.8
72.08137	6.9
73.06554	1.1
74.06077	1.9
79.05505	0.7
81.03423	0.5
84.04508	0.8
84.08121	7.1
85.02887	1.2
86.09701	4.4
91.05445	0.6
95.06076	5.9
97.02868	0.6
97.07616	1.6
98.06046	1.7
98.09684	1.2
98.20768	0.9
98.97552	1.3
101.07124	1.1
102.05483	0.7
103.31038	0.6
106.69006	0.5
109.02806	0.6
112.08707	17.6
112.85666	0.5
113.07104	9.0
114.10294	0.9
114.12779	0.7
115.08692	1.2
116.64935	0.5
116.98586	0.6
129.11292	0.7
129.13837	1.7
130.09831	0.6
132.04425	7.9
140.08112	2.4
142.12276	0.7
157.10864	2.9
160.03947	0.9
162.05469	4.7
164.07021	0.6
165.05392	0.6
174.05559	0.6
178.04961	73.4
179.05280	1.9
187.05013	17.6
187.14377	5.7
189.06566	0.7
190.04863	1.3
200.12646	0.7
205.04196	1.0
205.06052	15.5
206.04469	18.7
214.08684	0.7
215.13887	0.8
217.06044	3.0
230.05560	0.7
231.03995	2.1
241.09691	1.5
256.10858	3.7
257.09116	4.7
258.12375	2.1
259.10767	7.0
281.10422	0.6
284.10141	0.8
301.12936	3.7
302.11264	9.5
303.09494	1.3
318.15427	1.3
344.13181	1.3
345.11874	12.2
355.34073	0.6
362.14417	100.0
363.14862	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	363.0706
Annotation	5,7,3',4',5'-Pentahydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
53.03936	1.1
55.01861	1.4
55.05492	3.0
57.03419	2.2
60.17561	0.8
64.50711	0.9
67.05482	3.5
67.36283	0.9
68.99776	3.3
69.03403	2.9
69.07052	1.7
70.74249	2.1
71.04974	1.9
79.05482	5.9
81.03407	2.6
81.07048	7.1
83.04966	2.2
83.08611	1.5
84.03374	1.0
85.02885	1.0
90.85382	0.8
91.05460	4.6
93.07021	6.9
95.04938	3.2
95.08593	6.3
97.06503	2.5
97.10094	1.3
99.04456	1.3
101.61693	0.8
103.05449	1.4
105.07014	8.1
107.04951	2.5
107.08589	5.0
109.02834	2.2
109.06506	2.3
109.10124	2.4
111.08088	1.1
112.99998	7.6
115.05417	4.1
117.06985	3.9
119.04912	1.3
119.08575	7.9
121.06507	2.0
121.10122	3.2
123.04411	1.3
123.08049	2.2
123.11673	1.7
125.05967	1.3
125.09531	0.9
127.03875	1.3
128.06216	1.4
129.06990	1.8
131.04939	1.0
131.08524	5.4
133.10095	3.1
135.04414	1.3
135.08067	2.2
135.11629	1.2
137.02347	1.7
137.09659	1.3
141.06998	0.9
143.04919	1.1
143.08569	2.9
145.06433	2.4
145.10088	5.2
147.04343	2.8
147.08052	1.3
147.11681	1.0
149.09586	1.6
149.13228	1.9
150.03110	2.3
151.03976	1.1
153.01836	9.3
155.08476	1.6
157.10124	3.0
159.08009	1.6
159.11682	4.1
160.05200	2.0
161.05913	1.5
161.09550	1.5
163.03932	1.5
165.05476	4.6
166.02567	1.1
167.06984	1.9
167.08601	1.0
169.02585	9.7
169.10146	1.7
171.02910	1.6
171.04373	13.4
171.11658	1.8
173.05887	1.1
173.09723	1.7
173.13190	2.6
175.03867	1.8
175.07585	1.8
175.14763	0.9
177.05492	0.8
178.02603	2.1
179.03377	1.3
181.10060	1.2
183.11635	1.8
186.03105	0.9
187.03896	8.5
187.07446	0.9
187.14812	1.2
188.04628	2.9
189.05542	0.9
190.25371	0.9
192.04172	1.6
193.04797	1.3
197.13443	1.0
199.03876	11.9
199.11101	1.0
199.14885	0.9
199.47791	0.9
200.04634	2.3
200.12846	0.9
201.05437	5.0
201.12947	3.5
201.16301	1.0
202.02599	1.8
203.03336	10.0
204.04143	2.0
211.14819	1.0
213.05534	1.3
214.02394	1.2
215.03310	6.2
216.04129	30.4
217.04913	12.4
218.05586	2.0
219.06358	1.1
223.02396	1.1
227.03329	9.6
228.04037	2.5
229.04874	7.8
231.02933	4.6
231.06444	8.1
232.03563	3.9
233.04398	2.1
242.02060	2.5
243.02956	4.1
243.17436	1.0
244.03664	18.6
245.04413	18.5
246.05034	1.5
253.01277	1.9
255.02866	17.8
257.04413	9.3
258.04947	1.4
259.02399	5.9
259.05994	57.3
260.03067	3.1
260.06219	2.0
261.03827	6.5
270.01566	3.5
271.02319	20.0
271.16956	1.2
272.03040	4.8
273.03851	1.4
274.04733	4.5
275.05463	3.1
276.06323	2.1
277.07010	1.6
285.03931	5.8
287.05469	22.5
289.03403	20.7
289.06696	1.7
290.04031	2.5
299.01828	17.3
300.02100	1.2
303.04938	21.9
304.05679	1.0
313.03262	2.0
317.03146	1.7
317.06543	16.0
319.07996	2.2
327.23199	1.4
331.04431	18.3
363.07031	100.0
363.21732	2.6
363.26239	2.0
363.30698	1.9
364.07480	4.2
364.12936	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01852	0.6
55.05503	3.1
57.03426	6.4
57.07058	0.4
65.03931	0.6
67.05134	0.7
67.05495	13.0
69.03424	0.4
69.07052	4.1
69.52948	0.3
70.64972	0.3
71.04970	1.3
71.71121	0.5
79.05478	7.3
81.03416	1.0
81.07045	17.2
83.04969	1.6
83.08610	2.9
85.06527	1.0
91.05467	5.9
93.07028	11.9
94.69949	0.3
95.04963	1.8
95.08600	4.6
96.45483	0.4
97.06512	3.0
97.10151	0.9
98.98466	0.7
99.08082	0.9
105.07030	2.9
107.04955	0.8
107.08575	5.9
109.06493	1.4
109.10123	1.0
111.08060	1.4
112.99995	93.6
117.07014	2.8
119.08545	2.6
121.06454	0.6
121.10117	3.4
123.11708	0.7
125.09578	0.4
131.01050	0.5
131.08537	3.5
133.10100	3.4
135.08011	0.9
135.11661	3.0
139.01546	0.5
145.10118	0.8
147.08020	0.4
147.11668	0.8
149.09695	0.4
149.13232	8.4
151.01541	0.4
151.11148	0.4
155.00957	0.9
157.10100	0.8
159.08041	1.2
159.11671	6.0
167.14345	0.4
169.02585	100.0
170.02953	1.0
173.13127	0.4
177.12712	5.5
181.12138	0.4
195.13748	3.1
251.16359	0.9
271.16910	0.7
285.72424	0.3
321.16953	0.3
363.15503	1.4
363.21408	1.0
363.25482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.7
55.05497	7.4
57.03426	12.6
57.07058	0.6
57.23998	0.5
62.15113	0.4
65.03931	0.8
67.05495	18.0
69.03428	1.0
69.07061	5.6
71.04974	1.5
71.70110	0.9
73.60122	0.5
76.55666	0.5
79.05029	0.6
79.05484	13.0
81.03417	1.4
81.07045	21.1
82.32551	0.5
83.04964	4.6
83.08617	3.5
85.06538	1.3
91.05471	11.4
93.07030	14.3
95.04952	2.9
95.08600	5.9
97.06512	2.5
97.10147	1.1
98.98440	0.7
99.08050	1.2
105.07012	7.6
107.04943	4.0
107.08577	10.1
109.06500	2.2
109.10139	1.8
111.04425	2.2
111.08056	1.6
112.99999	93.2
113.05991	0.8
117.06995	5.1
119.08551	5.1
121.06519	1.2
121.10137	3.8
123.07990	0.7
123.11689	0.7
125.05945	0.6
125.09631	1.3
127.67339	0.5
128.06194	0.7
129.06990	1.3
131.01018	0.8
131.08542	5.9
133.06480	1.3
133.10100	5.4
135.08041	3.0
135.11671	4.2
137.09618	1.0
139.01550	0.6
139.11090	0.5
143.08502	1.2
145.06499	1.1
145.10097	2.6
147.08073	1.1
147.11659	1.9
149.09615	1.1
149.13223	9.8
151.07501	1.0
153.09018	0.6
155.00987	0.7
155.08517	0.6
157.10120	1.3
159.08046	2.2
159.11671	6.8
161.09579	0.7
161.13242	1.1
163.07582	0.5
169.02588	100.0
169.09999	0.9
170.03029	0.8
171.11670	1.1
173.09529	0.6
173.13246	1.7
173.27165	0.5
177.12724	6.2
183.11681	1.0
185.13152	1.0
187.14767	1.0
188.07040	2.2
195.12032	0.6
195.13770	2.9
197.13237	0.6
205.15855	0.7
227.94897	0.6
233.15390	2.2
241.70016	0.7
243.17340	1.0
251.16331	0.9
259.24866	0.6
261.18530	1.5
271.16919	1.7
271.20554	1.8
289.17938	4.6
289.21298	1.1
301.09610	0.6
363.15726	0.9
363.21487	3.1
363.25397	5.2
364.11731	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.4
55.05489	1.2
55.13177	0.3
55.20760	0.3
56.96547	0.3
57.03418	1.2
66.57217	0.3
67.05494	2.6
69.03407	0.6
69.07039	1.3
69.16763	0.3
71.70898	0.6
79.05475	2.1
81.03387	0.8
81.07032	2.7
83.04952	0.7
83.08604	0.3
85.02872	0.4
91.05445	2.9
93.07039	2.1
95.04960	0.8
95.08580	1.4
97.02903	0.4
97.06496	0.9
97.10119	0.4
99.04401	0.3
100.17540	0.3
105.07005	2.0
107.08549	1.2
109.02834	0.4
109.06392	0.3
109.10144	0.8
111.08023	0.4
111.91448	0.3
112.99993	7.3
115.05411	1.2
117.06997	2.5
118.06523	29.3
119.06889	0.4
119.08564	1.2
121.06517	0.5
121.10096	0.7
123.08023	0.5
126.08439	0.3
130.06508	0.6
131.08524	1.6
132.08078	2.0
133.08835	1.0
133.10052	0.9
134.09631	0.4
135.08011	0.5
135.11684	0.7
137.05959	0.3
137.09590	0.3
142.06502	2.2
143.07303	2.2
143.08398	0.6
144.08070	9.9
145.06427	0.5
145.10095	0.9
146.05983	45.2
146.09613	2.3
147.06310	0.9
147.07964	0.4
147.11653	0.5
149.13211	1.0
153.09081	0.5
157.10124	0.7
159.08035	0.8
159.11649	0.9
160.07591	0.7
160.10983	0.4
167.03418	0.4
169.02582	7.7
170.06007	3.8
171.11765	0.6
173.09618	0.4
173.13185	0.6
176.14319	100.0
177.12740	0.7
177.14650	3.6
188.07037	29.5
189.07440	0.5
195.13853	0.4
215.14159	0.3
216.13805	1.1
232.22075	0.3
234.14938	1.6
258.91190	0.4
271.16846	0.7
285.10046	0.6
288.31027	0.4
289.17792	0.6
345.16876	0.5
358.44598	0.3
363.20663	18.6
363.25272	0.7
364.20972	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52250	2.0
53.03928	2.6
55.01856	8.4
55.05501	28.8
57.03431	100.0
57.07062	5.9
58.07397	2.0
60.84085	2.3
67.05498	43.3
69.03417	3.8
69.07043	10.7
70.06576	14.5
70.83925	4.5
70.84329	3.7
71.04938	2.5
71.06918	4.1
71.08636	2.1
77.31826	1.8
79.05486	37.9
81.03424	2.3
81.07042	30.3
83.04969	62.6
83.08588	5.0
85.06525	5.2
88.07615	7.5
91.05466	41.9
93.07023	32.4
95.04949	14.2
95.08588	28.4
97.06504	4.8
97.10158	2.4
99.04418	5.0
102.09181	3.6
103.05441	2.2
105.07021	28.7
107.04944	68.9
107.08578	18.0
108.05770	2.5
108.85471	2.3
109.06507	23.1
109.10125	9.4
111.03705	1.3
111.04427	38.0
111.08122	3.1
113.06023	6.0
115.05397	3.4
117.07017	14.1
119.08590	16.7
121.06480	11.5
121.10103	8.0
123.04413	4.3
123.08032	6.1
123.11742	2.0
125.05978	3.8
128.06213	5.2
129.06978	13.6
131.08560	22.2
132.10187	4.4
133.06459	9.1
133.10110	15.4
135.08052	20.1
135.11668	4.7
137.05927	3.8
137.09590	5.3
139.07484	1.8
141.07033	4.0
143.08540	8.1
145.06464	10.1
145.10091	13.8
146.11758	3.2
147.08057	10.8
147.11702	3.8
149.05980	9.0
149.09625	5.3
151.07504	2.7
155.08565	7.4
157.10156	7.4
159.08070	11.7
159.11667	8.8
161.09563	11.2
161.13281	2.5
163.07550	7.1
163.11160	7.2
165.09178	2.4
168.98083	2.6
169.10120	7.5
171.11678	8.1
173.09593	7.9
173.13226	4.6
175.11166	3.7
176.25797	2.5
177.09135	5.9
177.12766	9.0
178.13510	4.2
179.14346	3.9
183.11668	3.5
185.09566	2.2
187.11125	5.1
187.14822	8.3
189.12767	4.2
191.14255	2.3
197.13206	3.0
199.11209	2.4
201.08949	3.0
205.15851	16.2
213.24149	2.6
215.14351	11.0
225.16371	5.1
233.15334	30.4
243.17450	10.4
253.15791	3.0
256.26318	3.6
257.26608	9.7
261.18399	19.0
271.16910	18.1
289.17969	37.5
301.29321	27.8
362.18884	2.1
363.21661	36.7
363.32947	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01872	11.0
55.05275	2.9
55.05507	34.3
57.03429	100.0
57.07053	6.2
57.28296	2.2
65.03957	2.7
66.67987	2.1
67.05144	2.3
67.05494	39.8
69.03416	2.7
69.07072	10.4
70.05312	7.5
70.05729	5.1
70.06583	12.9
71.06899	2.5
75.92360	1.9
76.53654	2.1
79.05480	36.3
81.03410	3.6
81.06594	3.8
81.07043	37.6
83.04967	71.5
83.08603	7.2
85.06521	6.9
85.37695	2.2
88.07617	4.8
91.05466	48.7
93.07038	35.5
95.04949	12.3
95.08585	24.1
97.06517	8.0
97.10191	2.1
97.10803	2.1
99.04452	5.8
99.08085	2.1
102.09142	4.6
103.05411	2.8
105.07010	28.7
107.04940	65.0
107.08572	17.3
108.05753	3.0
108.58002	2.5
109.06508	26.5
109.10105	11.4
111.04419	41.6
111.08105	3.9
113.05978	8.7
115.05429	5.0
117.06986	22.8
119.04901	3.1
119.08553	21.6
121.06487	8.3
121.10126	10.4
123.04420	5.0
123.08041	7.5
123.11673	2.2
125.05971	7.2
128.06242	2.8
129.06972	12.4
131.04897	2.0
131.08543	22.7
132.10196	3.3
133.06468	12.2
133.10117	12.8
135.08029	21.7
135.11661	7.5
137.06035	3.0
137.09557	3.8
141.06984	6.1
143.08537	10.1
145.06480	8.9
145.10088	17.8
146.11763	3.4
147.07994	11.9
147.11668	9.0
149.05919	6.8
149.09599	8.4
149.13219	3.0
151.07494	3.7
151.58621	2.4
154.07816	2.3
155.08533	8.2
157.10110	7.7
159.08012	14.1
159.11629	10.8
161.05963	3.2
161.09529	11.3
161.13246	4.0
163.07587	12.6
163.11203	8.4
165.09145	3.4
169.10168	5.2
171.11676	9.6
173.09586	9.7
173.13257	6.7
175.11217	3.9
177.09148	3.8
177.12738	9.2
178.13518	2.8
179.14326	4.5
183.11688	2.6
185.13144	2.3
187.11131	4.3
187.14873	8.0
189.12730	7.0
197.13295	5.5
199.11218	2.2
201.09105	4.0
205.15895	16.0
215.14355	9.7
217.12180	3.4
225.16335	4.6
233.15338	34.5
239.25363	2.8
243.17436	12.6
253.15903	5.4
256.26428	3.6
257.26630	12.6
261.18475	20.0
271.16891	20.5
289.17944	40.1
300.29150	2.4
301.29202	25.0
363.21561	38.5
363.32959	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	4.3
57.07071	6.3
67.05506	6.6
69.07063	5.8
69.71009	9.4
71.08613	2.7
79.05469	5.7
81.07047	13.1
83.04957	1.8
83.08604	3.2
84.01199	1.4
85.06522	2.5
91.05453	3.4
93.07030	5.5
95.04934	1.3
95.08592	11.6
97.06505	1.3
99.08057	2.1
105.06983	3.3
107.08562	4.6
109.06505	20.2
109.10136	3.4
111.08070	2.0
119.08554	4.1
121.10134	5.4
122.07225	2.4
123.08056	40.2
131.08601	1.3
133.10153	2.5
135.08054	3.5
135.11685	2.5
137.09544	2.0
147.11646	3.8
149.09612	1.4
159.11688	2.2
161.13248	1.3
165.12735	1.3
177.12682	1.3
179.14297	84.1
180.14667	1.8
193.15826	3.6
233.18935	1.7
249.47334	1.3
283.02609	1.4
307.22659	4.1
331.26459	6.0
363.28900	100.0
364.29276	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	364.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01858	1.1
58.74816	0.8
61.58204	0.8
61.99681	0.9
62.08062	0.8
65.40410	0.8
69.03403	1.3
71.08762	0.9
71.09103	1.7
72.59022	0.7
73.84762	0.9
79.05475	5.1
81.03394	1.7
85.02882	1.8
91.05476	5.0
93.07034	7.5
95.04953	2.9
97.06513	2.5
98.27502	0.8
101.94511	0.9
103.05435	2.5
107.04930	4.0
121.06493	36.2
122.06850	0.8
125.05979	2.8
127.64033	0.7
131.04839	1.5
139.07515	1.4
140.96822	0.7
149.05960	100.0
150.06291	2.1
167.07021	53.6
168.07411	1.2
195.64351	0.9
224.68806	0.8
328.56229	0.9
328.91821	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.6
55.01843	1.4
70.65189	1.0
71.25851	2.7
77.80146	1.2
79.05483	4.3
81.03417	2.0
85.02894	3.6
85.16006	1.1
91.05434	3.8
93.07024	7.1
95.04950	2.9
97.02850	1.1
97.06519	3.1
98.86614	1.2
103.05431	2.7
107.04943	3.0
121.06482	29.9
125.05964	2.6
131.04955	2.3
135.76636	1.3
136.57047	1.3
139.07484	1.7
146.90923	1.1
149.05956	100.0
167.07013	46.7
168.07361	2.6
233.40569	1.8
275.44757	1.2
291.98361	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09170	3.2
55.05492	6.8
55.19244	3.0
57.03421	4.9
57.32591	2.9
64.26808	3.3
64.84457	3.1
67.05486	8.7
69.03408	9.8
70.06580	6.6
71.70232	4.4
72.08134	6.4
72.69042	3.3
73.02903	3.2
79.05481	13.9
81.03426	6.7
81.07050	22.9
84.04468	4.5
85.02917	17.4
85.06532	4.7
86.09660	3.2
91.05470	12.2
93.07043	30.2
95.08604	14.8
97.02900	6.9
97.06561	3.1
105.07023	10.6
107.08572	12.7
111.08049	4.7
120.08078	4.3
121.10132	100.0
123.11679	20.2
125.05994	7.9
125.09630	4.0
127.03924	4.8
131.08565	3.9
133.10168	4.0
136.06171	6.0
139.11192	17.0
149.09587	12.4
161.06053	3.1
167.10667	43.9
182.05049	3.8
185.11671	3.4
202.04951	3.9
203.07968	3.4
364.21436	8.7
365.13702	3.6
387.38849	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	364.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	3.3
55.05489	5.5
56.02116	2.4
57.03419	5.8
67.05479	4.3
69.03405	7.6
70.06571	4.7
70.46963	5.6
70.47361	6.1
75.04454	10.1
79.05468	8.9
81.03411	5.5
81.07041	8.3
82.07404	3.4
82.29285	2.9
85.02879	16.8
91.05454	11.9
93.07028	71.8
95.04960	4.3
95.08583	4.2
97.02867	3.6
105.07021	9.6
107.08568	6.9
109.02850	3.4
111.08051	8.1
119.08605	5.6
119.58804	2.8
121.10123	100.0
122.10452	3.5
123.08054	4.8
123.11698	4.2
139.11157	19.7
145.04961	3.2
146.06000	3.2
149.09637	10.9
167.10652	28.1
268.64114	2.8
364.18301	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	364.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01873	7.3
55.05505	38.5
56.05035	7.5
57.03413	2.0
58.06570	3.0
60.04491	3.8
67.05492	22.5
69.03399	4.1
69.06731	1.6
69.07058	14.3
69.57543	10.2
70.06555	3.9
71.04954	1.4
79.05482	30.9
80.04989	3.3
81.03397	3.3
81.07049	41.2
82.06564	4.7
83.04954	4.6
83.08611	21.9
85.06511	1.7
91.05467	16.5
93.07035	22.5
94.06539	4.3
95.04951	7.5
95.07324	1.7
95.08591	14.0
96.04474	10.7
96.08104	2.3
97.06487	3.6
97.10158	36.0
103.05447	1.1
105.07009	16.7
106.06539	1.6
107.04951	11.6
107.07395	1.3
107.07914	1.7
107.08577	24.5
108.08102	1.1
108.08971	1.2
109.06493	4.1
109.10153	6.3
110.06012	4.3
110.09655	2.5
111.08056	2.8
117.07000	12.9
119.04875	1.7
119.08571	23.9
120.08089	2.4
121.06484	4.5
121.10130	14.5
122.09657	8.8
123.08018	2.6
124.07566	2.3
124.11211	1.3
125.08695	1.7
125.09611	31.2
129.06952	5.4
130.07722	1.0
131.08536	9.7
132.08058	2.6
133.06458	2.6
133.10101	5.0
135.08020	13.0
135.11646	4.1
136.11163	1.8
137.09578	1.4
138.12756	24.2
139.17773	1.1
142.07785	1.3
143.08513	4.9
145.10097	14.1
147.08029	10.8
147.11659	2.0
148.11118	1.5
149.09616	2.7
152.10657	9.0
153.09102	3.3
155.08566	1.0
157.10095	4.5
157.12149	1.5
159.11647	3.5
160.11148	2.1
161.09592	4.3
162.12718	3.0
163.11118	7.4
169.10019	1.7
173.09598	3.0
175.11127	1.6
177.12541	1.7
178.12183	1.3
180.13782	10.3
181.12277	2.3
185.13293	1.3
187.11165	1.9
190.12186	1.3
203.12756	12.2
204.13821	2.7
205.12178	4.6
208.13295	15.0
212.16376	1.8
213.12518	1.3
222.15009	2.7
236.16350	2.4
237.14784	18.7
238.15143	1.4
240.15913	11.3
244.20485	1.7
245.18965	1.9
248.16666	1.1
255.17358	2.8
261.18625	1.4
262.21585	1.2
263.16345	1.4
272.20148	5.8
273.18457	20.6
274.18597	1.8
287.20251	1.6
290.21143	10.9
291.19403	2.5
304.22723	13.3
305.21057	49.9
306.21387	5.2
322.23685	31.0
323.23923	1.7
332.22083	8.8
346.23712	1.8
364.24744	100.0
365.25089	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	365.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11758	2.5
69.99749	5.0
70.00157	8.8
71.89111	2.0
74.53815	2.0
112.17565	2.0
131.12576	2.5
182.60382	2.3
185.02832	2.6
185.04286	4.7
203.05251	17.7
245.05022	3.6
311.02530	2.1
365.08096	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63905	0.7
61.69004	0.8
69.88835	2.1
69.89249	3.0
78.43013	0.8
82.49110	0.9
83.50396	0.8
89.79048	0.8
102.03308	0.6
119.01854	1.1
137.01830	0.9
143.01820	1.6
145.03362	1.0
155.01752	1.0
161.02840	1.0
173.02873	1.5
179.02806	0.9
185.02696	1.1
185.04233	6.4
193.23398	0.8
203.05281	14.3
211.16066	0.7
219.79445	0.7
223.91446	0.8
245.05156	3.6
263.05798	0.8
268.57516	0.8
275.05841	0.7
365.08102	100.0
366.08344	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	365.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78059	0.9
55.01874	1.4
56.96556	8.6
57.03431	3.3
57.56707	1.0
61.02908	2.7
68.62686	1.0
69.03418	7.1
69.98318	1.1
71.00307	1.2
71.00671	3.3
71.01348	1.9
71.04984	1.2
73.02908	3.0
79.05489	3.5
81.03399	7.9
81.07029	1.1
84.28054	1.2
84.96027	1.7
85.02887	12.7
85.06543	4.0
87.04444	9.2
91.05458	2.3
95.04956	2.9
97.02873	9.1
98.03138	0.9
98.97572	17.0
99.04457	2.1
101.00889	3.7
103.02406	1.1
107.04966	2.5
109.02881	2.8
110.97559	4.3
111.04436	1.6
112.99126	1.9
113.00868	2.5
115.02405	2.5
115.03910	0.9
116.98605	9.0
119.01894	12.8
121.06509	1.6
123.04432	2.2
127.03908	4.4
128.98601	5.2
129.03978	2.3
131.00206	1.9
131.01875	15.0
131.05521	8.0
133.01698	1.4
133.03493	7.4
134.99623	3.3
135.04352	1.9
137.03004	1.4
142.96492	1.5
143.00160	1.7
143.01903	3.6
143.05473	1.7
145.01672	2.2
145.03462	9.4
145.04990	1.7
146.99643	3.7
147.01395	1.3
147.05023	1.8
149.01122	1.7
149.06627	14.0
155.01875	9.9
156.02667	1.7
157.01620	2.0
157.03476	4.2
158.99612	4.9
159.03258	1.0
159.04948	6.0
161.01234	2.3
161.02945	8.1
161.04764	1.4
161.05182	1.6
161.06558	14.8
162.03003	1.0
163.02657	4.9
163.04468	2.1
165.00720	1.3
170.99600	1.5
171.04988	7.2
173.01401	1.6
173.02943	17.9
173.04514	2.2
173.05084	2.0
173.06589	14.0
174.03082	1.2
175.02705	3.3
175.04546	3.3
176.06126	1.6
177.00679	5.7
177.04294	1.4
177.06020	3.5
179.07611	6.5
181.03485	1.4
181.05023	2.0
184.04892	3.2
184.97562	1.2
185.01183	2.0
185.02951	3.9
185.06590	13.4
186.06683	1.3
187.04482	1.4
187.08153	4.1
188.97087	2.4
189.00769	3.2
189.02283	1.1
189.04425	1.4
189.05971	6.7
191.07619	2.1
193.03589	1.6
193.05495	2.5
195.05016	1.1
196.02032	1.4
196.04584	1.4
197.02934	1.6
197.06639	5.9
199.04489	1.4
199.08118	2.9
201.00739	1.4
201.06107	2.9
202.98660	3.0
203.02193	2.6
203.04037	6.6
203.05901	1.6
203.07603	29.6
205.03748	1.3
206.98076	1.8
207.01767	1.9
207.05243	1.7
209.06657	2.7
211.04475	3.0
213.02374	1.1
213.06207	1.2
215.05582	1.5
215.07616	30.6
216.07799	2.1
217.00174	1.9
217.09241	5.6
219.01833	5.6
220.99867	1.5
221.03162	2.8
221.05025	24.3
223.01262	1.3
223.04829	4.1
227.07695	3.8
229.09096	1.5
230.98125	3.2
231.01656	1.9
237.02722	7.4
239.04179	3.7
239.07658	8.1
245.05009	3.5
245.08772	4.2
247.04787	2.0
248.99269	2.0
257.08707	4.3
259.06775	2.4
261.08380	5.4
263.00854	3.0
265.05966	1.4
275.09848	10.0
278.09283	1.3
279.09189	9.7
281.08994	2.0
287.09711	4.3
293.05304	2.5
295.06891	2.0
305.10773	100.0
306.10886	6.6
323.06366	1.7
323.11932	14.2
329.04761	1.2
351.11127	1.8
365.08087	6.9
365.12900	8.8
367.09201	2.1
383.08554	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46664	0.6
53.03927	0.7
55.05494	1.0
66.04739	0.8
66.18651	0.6
67.05492	3.3
69.00919	0.6
69.03416	1.6
69.07051	0.7
70.65312	2.1
71.05010	0.7
75.04474	0.7
79.05489	2.0
80.04979	0.9
81.03400	1.7
81.07026	2.4
84.08143	0.8
85.02909	1.3
86.09653	0.8
91.05465	2.1
93.07018	4.4
94.06537	1.9
94.07360	2.4
95.04936	0.9
95.08591	1.5
96.08054	0.9
97.02861	0.8
97.06493	0.7
105.07001	2.3
107.08567	1.1
109.02882	0.8
109.06506	1.1
119.08572	2.0
120.08098	0.8
121.10142	1.3
122.06003	3.7
122.10435	1.2
123.06721	1.5
124.07609	1.5
125.09595	0.7
129.06985	1.0
131.08553	1.4
133.10088	1.0
134.06012	0.7
136.03998	1.1
137.04709	2.0
137.05927	0.8
140.07010	0.8
142.07794	1.1
143.08534	1.5
144.08093	0.7
145.10121	1.4
147.07965	0.8
149.35388	0.6
150.05429	0.7
151.03906	0.6
151.06276	8.1
152.07042	81.9
153.07416	1.7
159.11685	1.0
166.08612	51.6
167.07216	0.8
168.10938	0.8
173.13127	0.8
175.11322	0.7
182.08174	1.3
182.09625	1.0
187.08600	0.6
194.08102	100.0
195.08363	1.4
196.07503	0.7
198.07748	2.0
198.09329	0.9
199.12245	1.5
203.10611	1.6
203.14334	1.0
210.09177	2.1
211.08650	1.0
212.09143	81.7
213.09839	2.9
225.06454	0.9
226.07207	0.7
227.11812	7.3
238.08519	0.8
240.08907	3.5
241.09709	6.2
255.11256	24.3
256.11621	0.8
283.10760	3.8
301.11783	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	365.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	10.5
53.55096	2.0
53.82405	2.0
55.01851	19.9
55.05503	39.6
57.03419	27.9
57.07065	3.4
58.85075	2.5
65.03925	7.0
67.05491	100.0
69.03419	16.4
69.07062	36.2
69.53781	12.4
69.54203	8.0
70.06567	3.9
71.04974	5.8
71.08591	3.4
71.50018	2.4
72.13553	2.1
73.06528	3.1
76.09774	2.2
79.05479	86.3
81.03402	15.4
81.07040	92.4
83.04961	25.8
83.08596	16.2
85.06513	8.3
86.90636	2.3
91.05460	91.2
93.07026	80.7
95.04958	48.6
95.08590	40.8
97.02875	8.7
97.06520	12.3
97.10136	6.7
103.05457	3.1
105.06333	4.6
105.07010	75.9
107.04950	23.1
107.08580	53.4
109.02849	6.3
109.06487	19.3
109.10136	47.6
110.92945	2.7
111.04403	4.9
111.08068	10.5
113.05968	5.4
115.05437	3.7
117.06956	16.2
119.08579	28.1
121.06470	15.9
121.10144	21.6
123.04385	4.6
123.08057	13.6
123.11676	9.4
125.05937	2.9
125.09590	6.1
128.06181	3.2
129.06961	12.6
131.08545	32.0
133.06458	10.1
133.10100	73.5
135.08026	24.5
135.11671	13.2
137.05962	3.3
137.09596	7.8
139.07497	7.2
143.08551	12.2
145.06490	4.0
145.10103	16.5
147.08009	16.5
147.11624	12.4
149.09601	18.8
149.13190	7.1
151.07500	3.7
151.11151	45.8
155.01079	3.9
157.10110	7.1
159.08075	8.1
159.11642	11.6
161.09578	13.1
161.13225	5.3
163.11127	4.8
167.95853	2.7
169.10092	3.4
169.12212	6.6
171.11655	9.5
173.09634	3.1
173.13266	3.4
175.11154	7.7
175.14894	3.6
177.09084	8.9
177.12659	6.0
179.10664	2.9
184.27199	2.2
185.13240	5.9
187.11171	5.1
187.14905	4.1
189.12735	4.9
193.12218	11.0
195.11699	3.4
199.11125	3.2
199.14882	2.8
207.13759	2.8
212.24518	2.3
215.12735	5.4
217.15820	3.8
223.13245	10.7
227.17874	4.4
237.16354	3.8
245.19008	11.7
253.14246	23.5
255.17477	4.6
263.20139	12.1
269.13754	6.7
273.18463	49.2
291.19489	58.8
309.20432	4.1
347.22208	6.9
365.23212	68.5
365.33105	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	365.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01864	9.2
55.05503	11.4
56.96554	2.8
57.03427	43.1
57.07065	3.4
61.02906	1.7
62.20935	1.0
65.03927	4.1
67.05492	52.7
69.03413	4.7
69.07059	11.6
70.06557	1.7
71.04990	7.1
71.70689	1.4
71.71075	1.4
73.02916	1.1
75.60843	1.2
79.05481	30.8
81.03419	5.2
81.07042	27.9
83.04955	5.1
83.08610	4.7
85.02886	3.3
85.06529	35.3
91.05460	27.1
92.91772	1.1
93.07028	30.1
93.07587	2.1
95.04951	57.0
95.08595	17.5
97.02856	2.2
97.06525	8.5
97.10143	1.4
98.97582	3.4
98.98457	3.1
99.04470	1.4
99.08089	1.6
101.06017	2.4
103.05449	1.5
105.07014	21.8
107.04944	9.7
107.08584	20.8
109.02869	1.3
109.06497	58.6
109.10120	6.9
110.06778	1.3
111.04411	2.3
111.08051	2.4
113.05989	100.0
115.05420	2.0
116.06264	0.9
116.98636	3.0
117.07017	13.3
119.04959	1.6
119.08559	18.7
121.06499	6.3
121.10121	10.4
123.08047	6.1
123.11707	1.3
125.09666	1.7
127.03936	1.2
128.06207	3.7
129.07010	9.3
130.07701	1.3
130.51712	1.1
131.08559	19.7
133.06490	4.6
133.10104	10.8
134.99631	1.9
135.08032	42.2
135.09068	2.3
135.11688	8.1
137.00005	1.3
137.06020	1.9
137.09602	2.5
141.07013	2.4
142.07765	2.5
143.08563	11.5
145.06474	3.6
145.10103	14.3
147.08044	7.2
147.11656	7.2
147.86176	1.2
149.09612	8.4
149.13246	4.0
155.01021	3.0
155.08574	3.7
157.10114	10.2
158.99622	2.1
159.08076	3.6
159.11673	9.9
161.09615	9.0
161.13231	3.4
162.10033	1.1
163.03926	1.4
163.11191	5.2
165.09100	2.0
165.12746	1.3
167.08536	1.3
169.10094	3.4
171.11650	5.5
173.09618	1.4
173.13274	4.4
175.11183	4.0
175.14787	1.3
177.00732	2.9
177.09094	1.3
177.12749	4.0
183.11685	3.0
185.13258	3.7
187.11221	2.9
187.14772	2.6
189.12720	1.3
191.10588	1.4
193.12195	2.2
195.11703	2.1
195.13846	1.6
197.13184	2.1
199.11203	2.3
199.14799	5.5
201.12727	3.4
203.14316	1.6
203.18066	1.4
209.13155	1.6
211.13159	2.5
213.12856	1.3
215.14290	1.8
217.15860	19.6
219.13715	1.6
225.16367	1.5
227.17998	2.8
231.13774	1.1
233.00566	1.1
237.16428	3.0
245.19029	3.2
255.17426	4.0
267.08990	1.2
269.12320	2.8
269.15164	1.3
273.18460	35.7
274.18747	1.3
283.08524	1.9
285.10165	3.5
291.19501	42.1
292.14020	1.2
347.22180	4.5
365.13602	3.2
365.23557	17.8
365.28159	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40137	1.0
52.37153	0.9
53.03926	1.9
54.60194	1.1
55.01858	6.5
55.05504	30.3
57.03426	9.4
57.07061	1.1
59.04969	1.1
65.03929	1.8
67.05137	1.9
67.05495	33.5
67.61711	0.9
69.03420	14.8
69.07057	42.5
70.37128	4.0
71.04969	2.4
79.05484	30.2
81.03394	4.7
81.07041	27.3
83.04964	4.7
83.08614	10.1
85.02892	1.1
85.06516	2.0
88.06484	0.9
91.05467	19.8
93.07029	25.0
94.04168	1.4
95.04948	14.7
95.08589	13.7
97.02872	17.0
97.06516	5.8
97.09586	1.1
97.10160	15.6
99.08053	1.2
99.27074	0.9
101.19168	0.9
105.07009	15.6
107.04928	10.3
107.07902	1.7
107.08576	19.1
109.02859	1.4
109.06488	3.5
109.10127	11.1
110.70747	0.9
111.08033	2.6
112.99997	2.0
115.05439	1.1
117.06997	10.2
119.08566	15.7
121.06470	3.6
121.10101	6.0
123.08039	5.4
123.11659	2.0
125.09619	12.8
128.06174	1.5
129.06979	3.6
131.08557	10.2
133.06464	3.2
133.10103	7.3
135.08032	3.6
135.11668	4.5
137.09601	4.1
142.07750	1.4
143.08571	4.7
145.10089	8.1
147.08038	5.9
147.11615	5.5
149.09590	1.2
149.13220	4.2
151.11095	1.4
153.09160	1.3
155.01047	1.2
155.08476	1.2
157.10104	3.7
159.07948	1.5
159.11678	7.3
161.09592	4.2
161.13232	3.7
163.11133	3.7
165.09082	4.1
169.02641	1.8
169.10110	2.4
171.02992	1.3
171.11681	3.0
173.11678	1.1
173.13123	2.2
175.11179	2.4
176.27359	0.9
177.12721	2.8
179.10593	1.2
185.13179	2.6
189.11188	7.7
193.12224	1.5
195.13843	1.5
197.13298	1.0
199.14848	1.3
205.12195	3.0
211.14932	1.0
223.13251	29.2
223.15317	1.8
227.12856	2.0
227.17981	2.2
245.18965	2.1
255.17390	2.2
263.20160	1.1
273.18445	18.2
273.55484	0.9
291.19507	100.0
292.19763	2.6
347.22034	2.0
347.26959	1.2
365.23135	72.7
365.28134	4.4
366.23306	1.9
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	Unknow
Peak:m/z	Relative Intensity
53.03935	7.8
55.01858	13.8
55.05505	35.2
56.89297	1.8
57.03436	16.7
62.25867	1.7
62.46422	2.2
66.92394	1.7
67.05499	62.4
69.03423	16.1
69.07063	39.6
71.04971	3.7
72.02431	1.9
79.05486	49.0
81.03409	11.3
81.07050	54.0
81.70000	2.1
83.04991	10.1
83.08613	12.2
85.06516	6.2
91.05471	47.4
93.07036	44.0
95.04956	19.6
95.08595	25.2
97.02891	14.3
97.06512	7.9
97.10152	14.0
99.08102	2.5
103.03921	1.9
105.07014	41.2
106.07301	1.9
107.04956	16.4
107.08585	32.1
109.06476	6.7
109.10136	23.8
111.08067	4.6
113.05982	2.1
115.05408	2.2
117.06994	11.7
119.08575	19.1
121.06467	6.7
121.10130	8.8
123.08055	6.9
123.11716	5.6
125.09625	10.9
129.06975	5.9
131.04895	2.1
131.08556	21.6
133.06487	11.9
133.10115	37.0
135.08044	16.4
135.11644	7.7
137.09601	6.0
141.06931	3.0
141.55246	1.8
142.07823	2.3
143.08537	7.9
145.10150	9.2
147.08028	7.6
147.11650	8.0
149.09599	14.7
149.13231	3.9
151.11159	17.1
153.09148	2.3
157.06554	2.1
157.10092	7.8
159.08095	4.7
159.11682	6.8
161.09669	9.2
161.13254	2.9
163.11098	5.3
165.09016	3.2
169.10138	3.1
169.12247	3.4
171.11685	4.7
173.13231	2.9
175.11180	5.0
177.09070	6.9
177.12717	2.5
185.13152	3.8
187.14743	2.1
189.11198	5.0
189.12724	2.3
195.11659	2.8
195.13832	2.7
196.62279	1.9
209.13373	2.1
211.14914	1.8
215.12740	2.1
223.13251	29.9
227.12764	2.3
227.17915	2.7
229.42865	1.9
238.78137	2.3
245.18988	6.6
253.14383	8.4
255.17371	2.6
263.20023	4.5
269.13986	3.1
273.18454	32.0
283.11389	2.1
291.19513	100.0
341.00775	2.0
347.21915	2.8
356.32111	2.3
358.80511	1.9
365.23206	71.9
365.27628	2.9
366.23636	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	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68629	1.0
52.29657	1.1
53.03932	5.6
53.44370	1.0
55.01862	10.9
55.05505	26.6
56.96538	1.2
57.03431	56.8
57.07059	3.2
59.04974	1.3
60.57020	1.2
61.08247	1.2
65.03921	4.6
67.05496	74.5
69.03427	13.6
69.07059	54.3
69.96127	7.1
70.07365	1.1
71.04978	9.1
79.05485	46.8
81.03407	9.3
81.07048	40.0
81.07528	1.6
83.04971	8.0
83.08604	12.9
85.02884	2.0
85.06532	39.0
91.05466	34.0
93.07034	39.6
95.01280	1.3
95.04956	66.3
95.08602	24.3
97.02874	11.8
97.06507	8.2
97.10156	15.8
98.98438	1.8
99.08072	1.9
105.07023	25.2
105.10272	1.1
107.04935	17.4
107.08582	28.4
109.06503	49.7
109.10144	18.0
110.06852	1.2
111.04462	1.6
111.08078	5.6
113.00023	2.7
113.05990	96.4
114.97551	1.2
115.05420	2.7
115.75250	1.1
117.06999	15.2
119.04935	2.2
119.08576	23.8
121.06492	7.6
121.10120	10.7
123.04465	1.7
123.08041	7.1
123.11681	3.3
125.05997	1.2
125.09635	13.0
128.06201	1.9
129.06996	8.9
130.07704	1.4
131.08546	21.1
133.06448	5.6
133.10107	15.1
135.08038	36.3
135.11665	9.2
137.05882	1.4
137.09578	3.8
141.06990	1.5
141.09111	1.9
142.07729	1.8
143.08522	10.5
144.09315	1.3
145.06477	2.3
145.10107	15.1
147.08041	8.3
147.11681	7.5
149.09602	7.9
149.13235	5.1
151.11163	2.1
153.09088	1.6
155.00948	1.7
155.08478	1.7
157.10112	10.7
159.08026	3.0
159.11699	9.2
161.09616	11.0
161.13242	3.0
162.10341	1.7
163.11162	5.0
165.09105	3.9
169.02513	1.2
169.10095	3.3
171.03011	1.7
171.10332	1.4
171.11665	6.6
173.09589	2.3
173.13242	4.6
175.11171	6.1
177.12724	3.7
179.10687	1.4
181.09982	1.2
183.11693	2.6
185.13181	2.1
187.14807	2.1
189.11186	8.3
189.12682	2.1
191.14310	1.3
193.12157	2.3
195.11856	1.3
195.13824	3.4
199.11174	1.4
199.14865	4.0
201.12833	1.9
201.16254	1.3
205.12173	2.6
213.12784	2.0
213.16426	1.4
217.15833	11.9
219.13661	1.4
223.13248	18.0
227.17908	3.5
233.15317	2.9
245.18999	4.1
249.14838	1.2
255.17383	4.5
263.20187	1.9
273.18466	34.4
291.19510	100.0
292.19708	2.1
347.21988	3.2
362.32617	1.2
365.23196	46.3
365.27829	2.3
366.23438	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.9
55.01865	17.2
55.05503	36.1
55.05760	4.4
56.96552	4.4
57.03164	4.2
57.03428	56.5
57.07045	3.8
65.03917	5.7
67.05141	5.2
67.05495	100.0
69.03424	14.4
69.07061	42.2
69.57927	5.8
69.58344	14.2
71.03044	2.2
71.04964	9.4
79.05483	75.0
80.42874	2.2
81.03403	11.4
81.07044	85.5
83.04955	17.7
83.08613	16.0
85.02881	5.8
85.06531	27.4
91.05467	78.8
93.07034	66.6
93.10416	2.1
95.04955	71.5
95.08598	42.1
97.02875	4.6
97.06509	13.2
97.10163	6.9
98.97591	5.4
98.98450	6.6
105.07013	57.5
107.04947	22.2
107.08573	48.6
109.06502	53.7
109.10136	31.8
111.04442	4.5
111.08071	7.6
112.99995	6.6
113.05984	71.3
115.00396	3.2
116.98619	4.1
117.07000	23.6
118.36578	2.2
119.04932	3.6
119.08579	33.9
121.06464	14.7
121.10126	21.9
123.08048	11.9
123.11692	7.0
125.09617	5.4
127.07512	4.3
128.06212	5.2
129.06990	11.0
129.20100	2.2
131.08545	31.7
133.06441	12.8
133.10110	52.6
135.08037	40.3
135.11700	15.7
136.99997	3.2
137.06007	5.1
137.09595	6.7
139.07497	3.8
141.06927	3.0
142.07767	2.6
143.08536	15.0
145.06415	4.0
145.10114	23.1
147.08058	11.8
147.11673	11.7
149.09605	18.6
149.13268	5.0
151.11163	24.7
155.01057	9.7
155.08514	2.8
157.10110	11.0
159.08014	6.0
159.11691	10.2
161.09599	18.5
161.13223	5.6
163.11154	7.4
165.09019	3.3
165.12724	3.2
169.10124	3.3
169.12166	5.8
170.02843	3.1
171.03018	3.7
171.11693	10.0
173.13243	4.8
175.11177	9.5
175.14804	2.9
177.09137	6.2
177.12740	7.0
178.52019	2.2
179.10678	3.7
183.11664	4.7
185.13257	6.1
187.14816	4.0
189.11122	3.8
189.12730	3.7
193.12228	3.0
195.11676	5.1
195.13652	2.1
199.11230	2.6
203.14108	2.8
211.13306	7.1
217.15871	9.8
223.13124	5.7
227.17950	6.1
245.18968	11.1
246.91174	2.2
253.14383	12.7
255.17381	6.7
263.20169	6.9
269.13681	3.9
273.18463	53.3
291.19489	69.4
292.19687	2.6
347.22385	6.0
365.10220	4.5
365.23102	83.4
365.27750	3.1
366.23587	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	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
53.10889	0.7
55.01864	6.0
55.05505	26.4
56.96551	1.2
57.03426	10.1
57.07056	1.3
65.03933	1.2
67.05496	32.2
69.03420	13.7
69.07058	39.9
70.07415	0.8
71.04976	3.0
79.05482	27.7
81.03404	5.8
81.07044	27.6
81.94233	0.6
83.04974	5.6
83.08609	9.2
85.02898	1.3
85.06527	2.0
91.05466	19.7
93.07030	22.2
94.04177	0.8
95.01347	0.9
95.04958	9.3
95.08595	15.3
97.02877	14.0
97.06535	3.5
97.10155	14.9
97.10667	0.5
98.01466	0.7
98.20673	1.4
98.97567	1.8
98.98461	1.2
99.08079	0.9
101.06036	0.8
105.07010	13.7
107.04946	8.5
107.08580	16.0
109.02894	1.5
109.06499	4.8
109.10146	12.7
111.04453	1.3
111.08066	2.6
113.00044	1.1
113.06010	0.8
115.05466	1.4
117.07027	6.3
119.04966	0.8
119.08567	13.3
121.06493	2.9
121.10122	6.3
123.04465	0.9
123.08038	4.5
123.11690	1.4
125.09612	13.5
128.06200	1.2
129.05460	1.0
129.07005	3.8
130.47929	0.7
131.08533	7.3
133.06487	3.0
133.10117	6.2
135.08043	6.1
135.11661	2.8
137.09636	4.0
137.10547	0.8
143.08537	3.6
145.06380	1.3
145.10081	6.8
147.08003	5.9
147.11661	3.9
149.09599	2.0
149.13239	1.9
151.11127	1.6
153.09090	1.7
157.10107	3.7
159.11711	4.4
161.09618	3.1
163.11156	2.6
165.09084	2.6
169.12117	0.7
171.11694	1.8
173.11852	0.9
173.13255	1.6
175.11168	2.0
177.12679	2.7
179.10619	1.8
181.09875	0.7
185.13257	1.8
187.14795	0.9
189.11195	6.9
189.12663	0.9
193.12311	0.8
195.11900	1.0
195.13802	2.2
205.12251	2.9
217.15875	0.9
223.11017	1.5
223.13260	31.0
227.12770	1.6
227.17966	1.7
245.18939	1.6
255.17397	1.2
263.20111	2.4
273.18439	16.0
291.19507	100.0
292.19897	3.1
347.22034	1.6
365.10529	1.1
365.23175	38.3
366.23602	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43143	1.1
53.03928	3.0
55.01867	9.7
55.05238	1.6
55.05503	31.4
57.03428	18.2
57.07078	1.1
59.04981	1.9
65.03925	2.9
67.05495	37.2
69.03426	13.5
69.03785	1.9
69.07059	57.4
69.39565	3.0
69.39974	8.6
71.04992	2.6
75.92655	1.1
76.46734	1.0
79.05022	1.8
79.05482	34.3
81.03407	9.6
81.07043	33.5
83.04976	7.6
83.08603	11.7
85.02895	1.3
85.06503	2.2
89.42099	1.1
90.61584	1.3
90.77282	1.0
91.05469	23.2
93.07034	25.8
95.04956	13.6
95.08583	15.1
97.02884	11.8
97.06512	4.9
97.09563	2.1
97.10148	20.6
98.20733	2.1
103.58107	1.0
105.04552	1.3
105.07014	19.7
107.04943	9.8
107.08574	20.0
108.08934	1.0
109.02863	1.4
109.06513	4.2
109.10146	12.8
111.04449	1.4
111.08047	3.4
113.05949	1.4
115.05396	1.4
117.07001	10.3
119.08572	12.7
121.06489	5.5
121.10118	6.9
123.08031	5.5
123.11728	1.6
125.09612	15.5
129.06958	4.4
131.08559	8.2
133.06453	2.0
133.10114	10.6
135.08029	7.0
135.11687	3.7
137.09613	4.0
139.11189	1.1
143.08580	2.8
145.06444	1.3
145.10083	8.7
147.08066	5.1
147.11650	4.6
149.09587	2.8
149.13228	3.2
151.11185	4.6
153.09148	1.6
157.10117	3.8
159.08064	2.6
159.11673	3.9
161.09590	3.4
161.13168	1.0
163.11165	3.7
165.09084	3.2
169.12294	1.4
171.10220	2.3
171.11682	3.4
175.11212	2.5
175.14821	1.1
177.12692	2.4
181.10149	1.6
185.09586	1.1
187.11182	1.7
189.11200	9.7
191.06731	1.1
193.12250	1.2
195.13860	3.2
205.12277	2.0
219.13853	1.3
223.11211	1.3
223.13240	23.4
223.15326	1.6
227.17926	1.8
230.89897	1.1
245.18982	3.2
249.14911	1.2
253.14383	1.0
255.17355	1.6
263.20071	2.6
273.18481	20.0
291.19501	100.0
292.19882	2.9
347.22012	1.4
365.23221	41.3
366.23575	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01863	8.9
55.05508	30.6
57.03430	12.4
59.04998	1.0
65.03934	1.7
67.05498	38.9
67.80402	1.0
68.98135	1.1
69.03422	16.6
69.07061	43.8
70.83967	2.3
70.84366	2.2
71.04984	2.5
71.63550	1.1
75.50752	1.0
75.76579	1.1
79.05020	1.7
79.05482	31.6
81.03415	8.4
81.06604	1.9
81.07050	27.6
83.04977	4.5
83.08613	13.1
85.02894	1.3
85.06536	1.8
91.05467	17.8
93.07034	21.2
93.07590	2.3
95.04958	11.0
95.08601	16.3
97.02885	19.0
97.06520	6.1
97.10163	17.5
99.08124	2.0
100.87181	1.1
105.07018	13.4
107.04952	9.6
107.08575	17.2
109.02889	1.3
109.06512	3.6
109.10145	13.8
111.08086	2.5
112.06275	1.2
113.05978	1.2
117.07014	9.1
119.08588	11.4
121.06503	2.7
121.10147	6.2
123.04365	1.4
123.08076	3.6
123.11666	1.4
125.09626	17.4
129.06998	3.9
131.08545	7.9
133.06482	2.2
133.10124	6.7
135.08035	4.0
135.11673	3.5
137.09549	5.4
143.08524	2.5
145.06476	1.3
145.10112	6.5
147.08022	4.2
147.11707	3.7
149.09619	2.6
149.13300	2.6
151.11263	1.4
157.10085	2.6
158.12564	1.0
159.11668	4.1
161.09601	3.1
163.11089	1.7
165.09125	2.4
171.11664	2.4
173.11740	1.7
177.12726	2.3
180.92355	1.0
185.13300	1.6
189.11131	8.7
195.13831	2.7
205.12285	2.5
223.13257	34.4
223.15291	1.9
227.12807	2.1
227.17979	1.5
245.18950	2.3
254.18559	1.2
255.17361	1.8
263.20172	2.1
273.18478	14.0
291.19516	100.0
292.19849	3.9
347.22086	2.1
365.23248	36.1
365.28305	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	365.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
55.01865	11.4
55.05505	28.3
56.56659	0.8
56.96560	1.3
57.03428	38.8
57.07060	3.2
59.04987	1.4
65.03938	3.0
67.05496	60.2
68.05816	0.9
69.03098	1.0
69.03430	13.6
69.07059	45.2
71.04990	6.4
71.71020	1.1
79.05484	39.9
81.03407	7.3
81.07048	36.3
81.07537	1.0
83.04967	6.9
83.08608	11.2
85.02888	2.0
85.06533	24.8
85.07041	2.0
87.63849	0.8
91.05469	32.7
91.39749	0.9
92.05784	1.0
93.07031	33.5
94.04214	1.1
94.09743	0.9
95.01293	1.3
95.04957	45.6
95.08593	19.5
97.02883	11.1
97.06504	9.5
97.10158	14.4
98.97546	1.2
98.98476	1.9
99.04408	0.9
99.08067	1.9
103.05449	1.7
105.07015	26.8
106.61499	0.8
107.04933	15.3
107.08580	22.8
109.02852	1.1
109.06503	34.5
109.10134	13.8
111.04420	2.1
111.08062	4.1
111.58521	0.9
113.00028	2.8
113.05993	58.8
115.05427	1.8
117.07007	12.2
119.08568	20.9
120.08898	0.8
121.06503	6.0
121.10106	9.3
123.04375	1.5
123.08038	6.9
123.11688	2.7
125.09614	12.2
127.11214	0.9
128.06223	2.6
129.06976	7.1
130.07787	1.3
131.04938	1.2
131.08545	15.9
133.06456	5.2
133.10126	12.6
135.08031	22.9
135.11670	7.9
136.99948	1.4
137.05978	2.6
137.09572	5.1
141.06967	1.6
143.08536	8.4
145.06461	2.3
145.10095	11.8
147.08034	7.1
147.11650	6.2
149.09608	7.4
149.13249	4.1
151.07507	1.1
151.11168	2.5
153.09088	1.8
155.01009	2.3
155.08595	1.9
156.09425	0.8
157.10127	5.8
159.08078	2.2
159.11682	7.5
161.09637	8.2
161.13225	3.1
163.11125	4.0
164.11478	1.0
165.09140	3.1
165.12737	1.3
169.02609	1.5
169.10078	2.1
171.03023	1.2
171.10378	1.1
171.11665	5.2
173.09618	1.0
173.11755	2.1
173.13290	4.3
175.11179	4.7
177.09102	1.2
177.12726	2.8
179.14250	1.2
181.10161	1.1
183.11699	2.0
185.13226	2.9
187.11168	1.9
187.14772	1.9
189.11229	6.4
189.12685	1.4
191.14331	1.7
193.12228	2.2
195.11714	1.8
195.13850	2.7
199.11293	1.2
199.14847	3.0
201.12709	2.2
201.16412	1.0
203.17941	0.9
205.12262	2.5
209.13229	1.4
211.13228	1.7
217.15823	9.6
223.13248	19.1
223.15259	1.1
225.49632	0.9
227.12798	1.4
227.17834	2.4
229.14236	1.0
233.15361	1.6
237.16531	0.9
245.15384	0.8
245.18982	4.1
249.14911	1.4
253.14253	1.6
255.17418	3.8
263.20029	3.2
273.18472	30.7
291.19501	100.0
292.19937	2.6
347.22299	3.2
365.10071	0.9
365.23276	42.1
365.28207	1.6
366.23331	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.2
55.01865	20.1
55.05504	36.4
57.03208	2.6
57.03435	28.7
57.07050	8.0
59.04984	12.7
65.03925	3.5
67.05496	99.2
69.03410	10.5
69.07060	38.0
71.04973	6.1
79.05022	3.5
79.05483	73.3
81.03412	15.0
81.07046	94.7
83.04969	24.0
83.08618	17.4
85.02872	2.9
85.06523	6.7
85.10149	2.6
91.05466	100.0
93.07028	73.4
95.04955	29.6
95.08591	41.0
97.02874	4.7
97.06505	12.1
97.10153	4.0
99.04475	2.5
99.08099	2.6
99.28118	2.2
103.05439	2.3
105.07011	70.1
107.04936	22.8
107.08578	55.3
109.06511	16.4
109.10137	49.9
111.04408	5.6
111.08076	12.1
113.05967	3.1
115.05404	4.4
116.06132	2.1
117.07001	22.0
119.04896	2.7
119.08566	28.4
121.06484	14.4
121.10149	22.1
123.08015	8.4
123.11723	14.3
125.09609	4.3
127.07531	3.7
128.06187	4.4
129.06999	12.2
130.07774	2.5
131.04921	4.1
131.08537	32.0
133.06497	19.7
133.10115	92.0
135.08025	20.8
135.11644	14.4
137.09572	5.9
139.07515	8.2
141.06984	2.4
143.08522	12.5
145.10110	15.0
147.08038	9.7
147.11647	10.9
149.09587	22.2
149.13254	5.3
151.11156	49.9
153.60712	2.3
155.08432	4.0
157.10109	6.7
159.08037	9.5
159.11674	7.1
161.09619	14.8
161.13246	4.0
163.11137	6.1
165.09067	3.1
169.10027	4.2
169.12209	6.0
170.10435	2.2
171.11639	6.3
173.09624	4.3
173.13243	3.3
175.11169	8.4
175.14685	2.1
177.09062	11.2
177.12798	4.9
179.10680	5.1
181.10182	2.5
181.12131	4.1
185.13235	5.5
187.11229	3.2
187.14763	4.4
189.12578	3.3
195.11758	2.5
197.13286	3.4
203.14244	3.3
207.13797	4.1
215.12724	3.2
217.12279	3.0
221.13263	2.4
223.13232	6.2
227.17931	4.3
237.16263	2.6
245.18889	15.1
251.12781	4.7
253.14258	27.9
254.14680	2.9
255.17392	4.5
259.20450	3.0
263.20053	10.1
269.13745	5.5
273.18500	39.1
274.18964	2.7
291.19504	44.6
292.19821	3.0
309.20602	2.6
347.22208	6.7
357.30511	2.3
365.23227	52.7
365.28064	3.1
366.23523	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	365.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17780	3.2
50.88325	3.8
53.03937	6.0
55.01867	6.5
55.05507	24.4
57.03429	9.4
57.07067	5.9
67.05497	48.8
69.03423	7.4
69.07053	25.7
69.07361	3.8
69.37311	5.8
69.37716	35.2
71.04964	4.2
79.05489	28.7
81.07051	38.0
83.04963	5.5
83.08620	11.5
85.06507	6.4
91.05473	44.3
93.07030	44.6
95.04958	53.9
95.08597	50.5
97.02874	4.1
97.06529	8.4
97.10152	6.7
101.52448	3.8
105.07008	54.5
107.08579	45.6
109.06493	13.3
109.10129	20.9
115.05468	4.2
117.07034	17.2
119.08563	48.0
121.06486	8.6
121.10087	16.6
123.08025	8.7
125.09579	5.0
125.45248	3.6
126.01038	4.6
128.00729	7.0
128.06250	8.2
129.06979	15.0
130.07765	6.3
131.08546	35.2
133.10110	26.6
135.08067	18.1
135.11668	14.0
137.09601	3.4
141.06973	8.0
142.07758	12.6
143.08554	21.6
144.09326	11.2
145.10115	36.0
147.08034	11.0
147.11642	9.5
153.06963	5.3
155.08534	16.0
156.09303	15.8
157.10107	36.9
158.10977	8.5
159.08023	5.4
159.11670	34.3
161.09602	8.1
161.13240	8.3
163.11186	4.5
165.06993	7.3
167.08542	13.7
168.09309	9.0
169.10083	16.8
170.10860	8.4
171.11685	27.6
172.08722	4.5
172.12372	4.8
173.09621	9.6
173.13229	11.2
175.11171	4.5
179.08549	12.3
180.09312	6.6
181.10091	21.2
182.10860	6.0
183.11649	26.4
184.12538	4.4
185.09636	5.9
185.13248	24.9
187.11111	18.5
187.14732	16.6
193.10101	18.7
194.10847	14.0
195.11696	38.7
196.12439	14.5
197.13210	24.7
199.14763	6.9
201.12640	4.8
203.14270	7.0
205.15816	11.8
206.10986	6.0
207.11673	27.5
208.12402	11.6
209.13228	26.7
210.13997	5.7
211.14839	11.3
213.12759	10.5
213.16383	6.0
217.15887	6.0
219.11613	5.6
220.12378	6.6
221.13214	21.7
222.14012	8.9
223.14906	19.5
225.12729	7.9
231.11761	5.0
233.13272	10.5
234.13937	6.8
235.14742	8.0
236.15517	5.7
237.16385	15.4
238.17039	4.7
239.14421	4.0
239.17963	4.2
247.14780	8.5
248.15607	5.8
249.16380	13.2
250.17023	4.9
251.17941	16.1
253.15840	4.4
255.17398	3.9
259.14734	4.2
261.16403	3.7
263.17862	11.1
265.16028	3.8
265.19345	5.2
267.17419	7.5
269.18924	5.9
273.16043	5.5
273.18695	5.6
277.15845	4.9
289.19540	4.2
291.19800	20.4
317.19031	4.7
319.24179	3.6
329.22568	5.1
339.10541	3.9
347.23615	32.7
365.24722	100.0
366.25040	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	365.2682
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
54.07989	0.2
55.05502	1.4
57.03424	0.3
57.07074	1.8
65.15600	0.3
67.05499	1.4
69.03400	0.3
69.07062	1.7
70.77419	0.6
70.77827	0.5
79.05457	1.4
79.11747	0.3
81.07048	2.2
83.04957	0.4
83.08608	0.5
85.06527	1.0
91.05462	1.5
93.07011	1.7
95.04964	1.3
95.08590	2.0
97.06487	0.5
105.07018	1.6
107.04917	0.3
107.08569	1.8
109.06484	2.0
109.10151	1.0
111.08069	0.3
117.06998	0.4
119.08558	1.8
121.06503	0.4
121.10125	0.8
123.08042	3.5
124.08837	2.0
125.05972	0.4
128.06281	0.3
131.08556	0.6
133.10110	0.8
135.08020	0.9
135.11659	0.6
137.06012	0.4
137.09579	0.8
138.06714	0.4
143.08562	1.1
144.09283	0.4
145.10124	0.9
147.08023	0.4
147.11674	0.5
149.09618	0.3
151.07532	4.6
151.11092	0.5
152.08313	7.5
154.47546	0.3
155.08566	0.3
156.93179	0.4
157.10193	0.6
159.11731	0.8
161.09644	0.5
165.09096	10.6
166.09775	0.5
169.10126	0.5
171.11665	0.7
175.11121	0.4
177.09038	0.3
177.12709	0.5
179.08600	0.3
179.09081	0.3
179.10649	2.3
181.10098	0.4
181.12135	0.4
183.11699	0.5
185.13239	0.8
187.11200	0.4
187.14792	0.3
193.12184	0.5
194.12981	3.7
195.11598	0.4
195.13800	0.4
196.12358	0.3
197.13171	0.6
202.26419	0.3
207.11885	0.5
207.13678	1.8
209.13298	0.3
221.13211	0.3
221.15269	0.5
223.13139	0.4
225.12680	0.3
235.14810	0.4
235.16972	0.7
239.17563	0.3
249.18468	0.5
251.17696	0.3
263.20102	1.8
271.14667	0.3
271.80084	0.3
287.05734	0.3
291.19565	1.4
319.26297	1.1
347.25790	18.0
348.26111	0.9
365.26837	100.0
366.27164	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	365.2679
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
50.85117	0.3
55.01861	1.0
55.05499	2.9
57.03419	0.7
57.07050	1.2
67.05489	3.5
69.07053	4.9
69.79819	0.5
70.22526	0.4
70.77490	1.3
71.04977	0.4
71.08598	0.7
71.26875	0.5
73.23022	0.4
77.03892	0.4
79.05498	2.3
81.07042	5.1
83.04955	0.7
83.08620	0.9
85.06512	0.6
87.95370	0.4
91.05457	2.0
93.07023	3.1
95.04946	1.2
95.08601	2.9
97.02847	0.5
97.06498	1.0
97.10138	0.7
99.08086	0.4
101.23661	0.4
105.07005	1.9
107.08552	4.1
109.06483	1.8
109.10160	2.5
111.04417	0.8
111.08077	0.5
117.07001	0.5
119.08552	1.7
121.10110	1.1
123.08046	5.9
123.11716	0.5
124.08829	0.9
125.05972	0.9
131.08560	1.1
133.10086	1.4
135.08044	2.1
135.11713	1.1
137.05945	1.7
137.09595	0.5
138.87047	0.5
139.07542	0.5
141.28119	0.4
143.08492	0.6
145.09045	0.5
145.10106	1.6
147.07944	0.5
147.11661	1.2
149.09573	1.1
149.13211	0.7
151.07500	4.5
152.08289	3.7
157.09975	0.5
159.11723	1.0
161.09572	0.6
161.13184	0.7
163.11122	0.6
164.08310	0.8
165.09090	15.2
165.12671	1.0
166.09691	0.9
171.11655	0.5
175.11096	0.7
175.14908	0.5
176.77528	0.4
177.12865	0.5
178.09920	0.5
179.10628	2.2
181.12180	0.7
189.16289	0.5
191.10643	0.5
193.12225	1.0
195.13823	0.6
208.14519	1.9
221.15308	3.0
235.16934	0.5
249.18486	1.3
263.19989	1.0
273.18430	0.7
291.19629	2.2
291.22906	0.5
305.24661	4.6
319.26257	6.2
329.24341	0.5
347.25735	47.2
348.26108	2.2
365.26819	100.0
366.27176	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	366.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.2
55.01868	7.3
55.05489	3.1
57.03424	4.7
61.02914	5.6
67.05468	1.7
68.99773	2.9
69.03423	30.5
69.06999	0.8
70.20397	1.2
70.67166	4.1
71.04987	5.7
73.02895	6.4
74.69273	0.9
79.05482	1.5
81.03401	19.5
81.07047	2.4
83.01324	0.9
85.02892	100.0
87.00814	36.7
87.01216	0.7
91.03908	1.3
91.05453	1.6
93.07034	1.9
95.04932	1.2
95.08572	2.4
97.02882	27.9
99.04440	11.1
105.01851	61.7
105.07036	1.2
108.04427	2.5
109.02167	1.7
109.02866	25.6
111.08043	2.2
113.09570	1.2
115.03882	1.6
115.08006	0.9
117.01830	2.7
119.08552	1.2
126.05476	1.9
127.03899	67.3
127.23002	1.0
129.01842	3.1
135.04353	1.2
139.07559	1.2
141.09128	1.6
145.04938	33.3
145.10059	1.3
147.02884	2.4
149.09528	1.2
151.07532	1.4
159.02875	12.6
163.03844	3.7
163.11182	1.2
189.03928	2.8
209.11699	3.1
213.03873	2.0
225.91426	1.0
231.04947	17.3
242.05434	1.0
249.05983	3.5
295.11789	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	366.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58215	0.8
59.56031	0.8
65.85899	0.7
67.05481	1.9
71.59677	1.4
79.05447	1.4
81.03421	0.8
81.07040	1.6
85.02907	1.2
91.05470	1.2
93.07030	1.8
95.04921	1.5
95.08571	3.4
97.91646	0.7
105.07009	5.6
109.06494	2.0
123.08051	33.4
127.03775	0.8
133.06453	1.9
151.07516	100.0
152.07831	3.6
167.06946	0.9
169.08569	11.3
174.51392	0.8
302.96692	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06898	1.7
55.01860	1.9
56.70373	1.7
67.05495	3.3
69.03410	1.8
69.36396	22.4
73.03288	1.8
79.05481	5.7
81.03407	4.1
81.07032	1.9
82.55830	1.6
84.08160	1.9
85.02889	5.1
91.05468	2.5
93.07035	4.1
95.04972	4.0
95.08595	6.4
103.05458	3.2
105.07024	32.8
107.04967	6.1
123.08057	6.1
131.04941	3.5
133.06459	19.8
151.07526	100.0
155.45630	2.0
169.08562	13.0
178.01059	2.0
204.06847	2.8
225.56648	2.1
366.11658	3.4
379.66776	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.01864	7.1
55.05489	10.3
56.05029	3.8
57.03414	7.3
57.07059	7.2
59.04976	9.8
66.30256	3.4
67.05498	23.9
69.03418	39.7
69.07043	16.3
70.06571	9.9
70.60973	14.4
70.64068	3.2
71.04976	15.9
72.08167	3.6
79.05473	21.1
80.20626	3.0
81.03403	9.7
81.07041	100.0
83.04965	16.7
84.04479	9.7
84.08113	4.5
85.02873	40.7
85.06510	6.1
86.09681	12.2
87.04439	4.9
88.36246	3.5
91.05467	22.6
92.16982	3.0
92.67614	3.0
93.07021	56.0
95.04958	16.4
95.08582	27.8
97.02863	13.0
97.06509	5.5
98.09687	3.9
99.04492	5.6
101.55000	3.2
105.07003	34.8
107.08567	36.2
109.02848	8.2
109.06493	13.9
109.10123	27.0
111.08074	8.7
113.05982	14.1
119.08609	6.7
120.08073	43.4
121.10082	17.5
122.02349	4.4
123.08003	4.4
123.11680	80.3
127.03880	9.2
127.11188	4.1
133.10092	34.6
134.06078	3.8
135.08008	3.8
136.07506	13.5
137.09581	7.1
138.05458	5.7
139.11136	19.6
145.04907	4.7
151.11147	42.0
153.50938	3.9
163.03931	19.4
167.07050	5.3
169.08739	3.8
169.12204	35.0
170.95105	4.0
173.11707	5.0
176.07074	4.2
179.87596	3.6
197.06366	4.9
204.08508	4.0
204.16023	5.0
207.11317	4.9
231.51881	3.3
235.10764	3.5
249.40248	4.3
272.82120	4.0
308.88916	4.1
323.11325	4.5
366.13898	10.8
367.09454	4.6
367.13699	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	366.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.5
53.18812	4.5
55.01856	6.2
55.05505	12.3
57.03419	10.6
57.07061	7.0
59.04981	10.2
60.04497	6.4
61.02924	5.2
64.82079	3.7
67.05499	29.4
69.03429	38.6
69.07058	18.6
69.99804	24.8
70.06581	14.9
71.04980	18.2
72.08142	4.3
79.05484	23.2
81.03398	8.2
81.06604	7.2
81.07047	100.0
83.04951	16.2
84.04512	4.8
84.08138	8.5
85.02890	33.2
85.06534	12.7
86.09679	12.2
91.05460	23.5
93.07042	46.8
95.04950	8.8
95.08595	23.7
97.02871	15.3
97.06494	6.5
99.04443	5.8
105.07018	31.7
107.08597	35.2
109.02885	7.8
109.06490	20.0
109.10146	19.0
110.07136	5.5
111.08046	6.4
113.06024	20.7
115.03884	4.6
118.06459	5.6
119.08519	9.5
120.08087	43.7
121.10126	21.4
122.02370	4.4
123.08047	9.5
123.11687	89.3
127.03873	7.8
129.10222	4.7
131.08517	4.6
133.10114	34.9
135.04436	5.8
136.07550	20.7
139.11156	23.2
145.04961	8.7
146.09627	7.9
147.10458	8.4
151.11171	39.7
163.03865	27.0
167.07086	6.9
169.12213	43.6
187.09592	4.3
204.15961	9.9
230.15436	6.2
234.66687	4.0
315.56473	4.3
322.14807	9.8
366.13873	24.7
366.18338	5.2
367.13806	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	367.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75434	0.1
56.08797	0.2
67.51795	0.2
69.75742	1.2
75.73181	0.2
79.32002	0.1
101.00858	0.7
116.98532	0.2
119.01894	7.1
120.01992	0.2
134.99820	0.5
137.02937	3.2
140.98843	0.2
142.03494	0.2
153.00920	0.5
158.99837	0.4
165.99622	0.3
177.00926	20.2
178.01071	1.2
179.09766	0.2
182.99940	0.6
193.04099	0.5
195.01962	0.5
200.02563	0.5
201.00874	1.2
208.44954	0.2
217.04033	2.5
219.01973	26.6
220.02089	1.9
221.02023	0.3
225.00792	2.2
225.87259	0.2
234.99973	0.6
236.00101	0.4
236.99817	0.2
237.02954	0.2
242.03558	0.7
243.01912	5.9
244.01974	0.2
254.01100	0.2
258.99991	0.8
260.00015	0.8
260.04666	0.5
261.03021	100.0
262.00467	0.3
262.03156	7.1
263.03305	0.7
266.03458	0.5
275.04395	0.3
277.00876	1.6
278.01129	1.4
279.01025	1.0
279.03784	0.2
280.00943	0.4
282.99860	1.0
284.00031	1.9
284.04602	5.6
284.99841	0.7
285.04742	0.4
301.00931	2.6
302.01086	3.8
302.04282	0.2
303.00983	1.6
319.01810	0.3
320.02298	0.3
325.01230	0.5
326.01129	0.3
343.02078	1.3
344.02206	2.3
345.01837	0.3
360.99670	0.3
362.03241	0.6
367.01944	0.9
368.02713	0.2
385.03110	5.3
386.03455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
56.96553	21.9
57.03440	2.7
61.02903	3.0
69.03419	6.4
70.15209	1.6
70.71642	7.2
70.98108	3.0
71.04952	2.2
73.02880	2.8
76.98415	1.9
81.03395	3.6
83.60738	1.9
85.02909	10.6
91.03918	2.1
95.04923	1.9
97.02878	7.7
98.97551	12.4
100.99139	3.3
101.00880	9.6
102.49378	2.0
110.97590	5.7
116.98623	4.2
119.01913	29.5
120.01984	3.3
121.01667	6.1
121.06493	2.8
127.03896	4.0
128.98605	6.7
129.56567	1.8
131.00061	1.9
131.01894	4.0
131.05032	3.1
133.01689	5.1
133.03436	4.9
134.99663	2.5
137.02957	3.9
142.55150	1.9
143.01888	6.0
144.98056	12.0
145.01669	2.1
145.03473	11.0
146.99686	3.8
147.03142	2.1
149.01128	2.3
149.05994	7.7
155.01875	5.4
157.03471	15.4
158.99727	2.2
161.01312	3.1
161.02974	9.8
162.99109	10.9
163.02745	6.4
163.04579	1.9
171.03323	2.0
171.05023	3.5
173.01620	1.8
173.02933	11.1
174.03020	2.7
175.02788	6.7
175.04562	9.5
177.00693	4.6
181.00175	3.4
181.05539	3.2
185.02985	3.0
187.02753	5.6
187.04546	3.5
191.04048	2.4
199.04594	2.8
203.03915	2.7
204.54854	2.1
205.00182	20.1
205.03809	3.8
205.05614	10.9
211.04689	2.2
217.05608	5.4
219.01802	4.6
223.01260	37.2
223.04741	4.2
223.06604	12.5
237.02806	6.0
241.02403	5.6
241.05655	2.2
241.07802	6.5
245.05138	8.3
247.01218	20.3
247.04938	6.3
251.04419	5.9
255.03870	2.2
255.07472	2.8
259.06808	2.3
265.02277	21.6
265.07770	7.4
269.05313	4.6
277.07825	3.7
303.48996	2.2
307.08823	12.6
309.56873	2.2
335.06717	3.5
349.04587	3.3
367.10413	100.0
368.10849	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	367.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01854	5.7
55.05482	2.0
55.29595	1.2
57.03426	3.0
57.65642	1.3
67.05482	2.8
68.35758	1.2
69.03406	4.2
70.06576	5.9
71.28360	3.6
72.08142	4.4
79.05470	3.4
81.03397	5.0
83.04976	2.7
84.08109	2.9
85.02896	7.0
86.09672	2.7
87.29589	1.4
91.05466	5.2
93.07021	3.3
95.01311	33.6
95.04920	3.2
95.08585	2.1
97.02875	4.8
97.06519	1.7
98.97595	1.4
103.05440	5.0
105.07001	11.5
107.04930	2.3
109.02869	2.5
113.02316	14.4
115.05415	7.9
116.06248	2.0
116.07108	1.4
117.06992	5.9
118.04160	1.8
119.04899	1.7
119.08533	2.1
121.06437	2.7
121.08382	1.2
123.04377	3.0
128.06177	7.1
129.06966	4.0
131.04898	14.7
131.08559	1.5
132.05740	2.2
133.06490	9.2
141.06966	3.3
143.04863	2.5
143.08536	3.2
144.05792	1.7
145.06447	9.2
146.05959	3.0
147.04382	3.0
148.05139	4.2
149.05914	3.0
152.06184	2.2
153.06990	4.6
157.06458	4.6
159.04388	3.4
159.07996	2.3
160.05167	2.3
161.05960	13.2
163.03853	4.0
166.08682	2.3
167.07001	23.8
169.06436	3.9
170.07210	2.2
171.08038	8.1
172.05202	2.6
173.05934	7.8
175.03848	3.2
175.07542	3.7
176.04689	4.0
177.05420	5.1
179.07065	2.5
181.05061	1.5
181.06491	4.3
181.08665	3.1
183.04385	1.6
184.05173	5.1
185.06027	2.9
187.03896	2.7
187.07529	4.5
188.07129	2.8
189.05435	2.9
190.06195	2.8
191.07014	11.8
193.08566	24.1
194.05734	5.1
195.06340	1.6
198.06715	4.0
199.07549	14.5
201.05424	3.3
203.06989	2.0
205.08568	6.9
206.08037	2.2
207.06500	3.3
209.08072	9.8
212.04665	3.4
213.05443	3.6
215.07039	1.8
215.34424	1.6
217.08578	3.2
219.06439	3.7
221.08040	4.0
223.09569	2.1
227.07007	13.5
230.05644	1.6
231.06465	2.8
231.10158	3.7
233.08051	8.2
235.09631	1.5
237.07568	1.8
239.09155	1.7
244.07216	2.5
245.04410	2.5
245.08017	2.9
247.09554	3.2
251.09119	4.1
259.09656	8.1
261.07587	7.8
277.10660	3.1
279.08591	2.5
287.09079	3.4
293.10156	2.2
305.10220	12.0
321.09744	2.3
323.11200	100.0
324.11514	4.7
339.10617	3.4
367.09961	4.7
367.13974	3.0
367.18576	7.0
377.19305	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18721	2.1
53.03934	8.0
55.01854	22.1
55.05506	33.6
56.96572	2.2
57.03429	20.8
59.04994	2.2
65.03934	4.0
67.05494	76.2
69.03416	7.3
69.07058	34.2
70.96001	2.6
70.96331	3.3
71.04987	5.4
73.82443	1.7
79.05482	66.2
81.03404	9.9
81.07043	100.0
83.04974	10.0
83.08606	21.4
85.02906	4.7
85.06525	6.4
91.05466	44.9
93.07030	51.7
93.07585	3.7
95.04949	14.0
95.08588	44.6
97.06518	28.3
97.10139	12.1
99.04468	2.4
99.08082	6.6
105.07016	44.9
107.04951	16.1
107.08582	46.2
109.06501	15.2
109.10143	26.3
111.08080	7.2
117.07007	17.7
119.08565	39.8
119.09407	2.8
121.06473	6.5
121.10130	21.4
121.14774	1.9
122.97165	2.0
123.08050	9.4
123.11721	10.5
125.09585	9.2
129.06996	6.5
130.07814	2.4
131.08556	21.8
133.06465	3.2
133.10112	31.3
135.08037	7.8
135.11656	16.2
137.09634	7.5
137.13213	2.2
138.71025	1.7
141.06992	2.2
143.08583	4.6
145.10115	25.8
147.08017	2.7
147.11646	22.4
149.09605	30.7
149.13234	7.2
151.11153	6.8
155.08542	2.0
157.10150	5.2
159.11659	17.0
161.09605	3.6
161.13277	4.6
163.03891	7.8
163.11162	15.9
165.12801	4.0
169.10042	2.8
171.10181	5.1
171.11674	4.5
173.11813	2.9
173.13243	9.7
175.11115	3.2
177.12756	5.9
183.11642	3.4
185.13242	2.8
187.14803	3.7
189.11208	7.7
195.13760	3.3
197.13298	3.9
201.16518	2.3
205.12263	2.2
213.16579	2.1
227.12743	4.5
229.19481	3.9
239.18036	4.2
245.13757	2.8
247.20538	9.6
255.16150	2.9
257.18961	10.0
265.21686	3.0
269.17484	6.3
275.20032	69.7
276.20450	2.4
293.21048	4.8
349.23752	20.8
350.24222	2.0
367.11526	3.5
367.25015	28.4
390.39685	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
54.19700	1.7
55.01863	25.7
55.05502	33.2
57.03429	15.4
57.07059	2.6
57.75813	2.3
59.90427	2.0
61.13134	2.0
63.35983	1.8
63.75006	2.0
65.03921	2.6
67.05492	64.6
69.03416	5.8
69.07056	31.8
70.42371	4.5
70.42773	4.3
71.04967	6.7
71.56504	1.9
79.05479	65.5
81.03406	6.4
81.07044	79.1
82.36366	2.0
83.04966	9.5
83.08596	15.7
85.02900	2.9
85.06540	3.4
91.05464	45.2
92.24043	1.9
92.98043	2.1
93.07037	51.0
95.04941	13.3
95.08596	39.2
97.06514	40.3
97.10152	9.7
99.08053	2.3
100.55381	1.9
105.07008	51.2
107.04939	23.6
107.07909	3.5
107.08576	41.6
109.05849	2.5
109.06487	11.6
109.10147	23.0
111.08094	3.0
112.99958	2.4
117.07020	12.7
119.08574	30.6
121.06501	8.5
121.10138	22.7
123.08011	5.6
123.11665	7.4
125.09621	14.0
129.06978	7.5
131.08536	20.3
133.10126	31.3
135.08066	5.6
135.11676	14.8
137.09586	5.5
137.13170	2.3
141.06958	3.4
143.08575	4.0
145.10109	24.8
147.08054	3.1
147.11662	24.0
149.09610	37.2
149.13235	6.0
151.11182	6.9
155.08650	2.5
157.10094	5.1
159.11646	18.1
161.13252	5.9
163.03964	2.1
163.11189	16.4
165.09045	2.1
165.12843	2.8
169.10152	5.7
171.10191	4.0
171.11661	5.5
173.13239	8.0
175.11266	3.4
177.12711	6.4
178.28717	2.2
183.11713	4.1
187.11195	3.2
187.14822	3.2
189.11140	11.4
195.13771	3.6
197.13194	2.6
205.12201	2.9
213.16374	2.6
227.12683	4.3
229.19423	6.9
239.17947	6.3
245.13834	3.4
247.20570	6.5
255.15929	2.8
257.18976	16.2
263.95822	2.5
269.17389	4.3
275.20029	100.0
276.20264	4.4
278.99142	2.6
293.21100	9.1
349.23740	31.8
350.23853	2.9
367.25043	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	367.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.5
55.01868	19.6
55.05500	34.8
57.03426	17.5
65.03922	3.2
67.05493	57.0
69.03410	7.8
69.07057	47.2
69.62792	23.1
71.04963	3.1
71.08612	8.5
71.83376	2.7
79.05480	49.9
81.03418	4.1
81.07045	100.0
83.04980	12.6
83.08626	15.8
84.72209	3.7
85.06482	4.5
88.85262	2.9
91.05464	35.2
93.07027	47.6
95.04970	15.4
95.08588	40.0
97.06519	33.0
97.10155	14.1
99.08080	7.7
105.07010	46.9
107.04945	14.9
107.08585	41.3
109.06497	11.0
109.10136	27.3
111.08092	5.2
117.06988	13.6
119.08550	35.2
121.06484	7.6
121.10131	17.6
123.08057	8.7
123.11684	9.8
125.09612	10.9
129.06970	5.8
131.08554	23.6
131.09464	3.8
133.10109	29.6
134.10460	3.1
135.08070	6.2
135.11674	10.2
137.09663	4.6
139.07529	2.9
143.08540	7.0
145.06505	3.5
145.10098	22.4
147.11685	22.1
147.55722	2.8
149.02357	6.3
149.09579	25.6
149.10553	3.2
149.13228	8.7
151.11134	6.6
157.10085	7.5
159.11667	14.7
161.13199	9.4
163.11140	10.2
169.10095	5.6
171.10121	7.6
171.11638	7.0
173.13292	9.6
177.12711	5.3
179.14232	5.4
183.11629	5.0
185.13091	2.8
187.14812	6.5
189.11143	7.8
195.11656	3.1
195.13721	3.0
197.13210	4.1
217.04941	3.3
229.19489	2.8
239.17833	4.0
247.20531	6.1
251.20074	4.9
257.19000	9.0
269.17548	3.0
275.20023	57.3
293.21021	24.2
349.23724	21.6
367.24597	18.9
367.29938	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	367.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61897	1.7
53.03925	3.3
55.01865	17.1
55.05273	2.0
55.05505	32.1
57.03429	18.9
57.07061	2.4
57.52301	1.7
65.03928	2.1
67.05497	68.3
69.03416	4.0
69.07057	29.9
69.59914	12.8
69.60320	2.9
71.04958	3.1
71.08607	2.8
79.05023	2.4
79.05486	54.5
81.03394	5.2
81.07045	100.0
82.07352	2.3
83.04974	10.3
83.08610	13.5
85.06519	3.2
91.05466	40.7
93.07030	42.1
95.04964	13.3
95.08602	44.1
97.06517	18.8
97.10121	8.6
99.08077	2.7
103.08012	1.6
105.07020	41.0
106.07395	2.0
107.04944	13.4
107.08579	36.2
109.06519	12.0
109.10145	17.1
111.08081	7.8
117.06998	11.9
119.08561	36.3
121.06480	4.9
121.10114	21.6
123.08054	8.4
123.11703	8.7
125.09579	8.1
129.06970	4.1
131.08551	18.5
133.10114	25.7
135.08023	4.7
135.11671	10.3
136.21017	1.6
137.09602	6.1
141.06981	1.7
143.08566	3.2
145.10120	15.9
147.08051	2.6
147.11671	22.0
149.09613	15.1
149.13231	7.9
151.11127	4.7
157.10126	5.6
159.11670	9.9
161.13240	6.2
163.11159	11.6
165.12726	4.4
171.10172	3.1
171.11661	2.9
173.13264	7.0
175.11140	4.4
175.14809	2.1
177.12677	3.2
181.12265	2.6
185.13255	2.6
187.11180	3.5
189.11197	5.1
195.13782	2.9
213.16473	1.9
215.17889	2.1
227.12740	4.1
229.19557	3.5
235.16908	1.6
239.17877	3.6
247.20515	3.9
251.20119	2.2
253.17929	2.0
257.18991	9.8
265.21521	2.7
269.17361	3.0
275.20032	55.6
275.23035	3.6
293.21011	7.1
327.14209	1.7
349.23865	16.1
367.24899	26.1
368.25162	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.2
55.01871	19.5
55.05508	34.6
57.03427	15.6
57.07053	3.3
59.04966	1.4
60.05659	1.7
60.78640	1.6
65.03934	3.4
67.05138	3.0
67.05497	67.6
69.03407	8.7
69.07059	33.0
70.72358	5.2
71.04967	7.1
71.08617	9.3
79.05483	59.9
81.03421	8.2
81.07047	100.0
82.07400	1.8
83.04964	11.1
83.08605	17.0
85.06505	4.8
91.03902	1.4
91.05470	47.6
91.69311	1.6
93.07035	51.2
95.04965	13.3
95.08591	45.9
97.06512	20.0
97.10152	9.2
99.08071	11.9
103.05437	3.7
105.07012	50.5
107.04937	12.6
107.08586	31.6
108.08842	1.6
109.06509	14.3
109.10131	24.1
111.08068	8.5
115.05410	2.8
117.06999	13.7
119.08572	35.5
121.06492	6.6
121.10135	20.5
123.08073	7.5
123.11703	10.2
125.09615	7.8
129.06969	3.8
131.08554	18.0
133.10107	26.0
135.08035	6.5
135.11710	10.8
137.09601	7.2
139.11211	1.9
141.06950	1.6
143.08571	2.6
145.10095	20.9
147.08052	1.7
147.11682	20.7
149.09598	19.0
149.13263	9.0
151.11162	7.2
153.09032	2.0
155.08563	1.5
157.10107	5.1
159.11653	11.1
161.09579	2.7
161.13219	5.5
163.11162	14.2
165.12711	7.4
169.10040	3.8
171.10162	2.5
171.11638	4.6
171.48163	1.4
173.13272	5.8
175.11185	5.1
177.12740	4.8
183.11694	2.4
187.14754	2.6
189.11183	6.0
189.12680	1.7
191.14212	1.5
193.12204	2.8
197.13271	3.3
215.17821	2.0
227.12804	2.3
229.19525	4.6
232.44690	1.5
233.18959	1.9
235.16943	2.4
239.18007	6.0
247.20541	7.9
257.18948	8.8
265.21521	1.9
269.17584	4.4
275.20035	74.0
275.23047	3.6
276.20398	2.6
293.21082	36.0
349.23727	18.8
367.24854	30.7
368.24884	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82296	0.8
53.03940	0.9
55.01860	6.6
55.05505	23.9
57.03427	8.9
57.07059	1.4
59.04998	0.8
66.50633	0.7
67.05497	23.7
69.03416	2.9
69.07058	25.7
69.42708	7.6
69.43124	1.6
71.04975	2.2
71.08618	29.7
72.15224	0.7
79.05482	16.5
81.03413	3.8
81.07046	22.1
83.04975	5.4
83.08605	7.4
85.06535	1.8
87.86906	0.8
91.05466	8.5
92.05832	0.8
93.07034	12.5
95.04955	7.2
95.08588	9.4
97.06502	2.4
97.10149	9.9
99.08079	22.1
105.07001	7.5
106.43983	0.7
107.04941	3.4
107.08586	9.1
107.48809	0.8
108.26842	0.8
109.06510	3.2
109.10140	6.7
111.04510	0.8
111.08055	1.6
117.06995	2.7
119.08587	3.8
121.06495	3.0
121.10126	5.9
123.08077	1.7
123.11683	1.9
125.09600	6.3
127.78942	0.7
131.08527	2.9
133.10091	3.8
135.08018	2.3
135.11674	3.1
137.09618	1.1
139.11183	2.6
145.10123	2.6
145.53001	0.8
147.11668	2.5
149.13290	3.8
151.11224	1.0
153.09067	1.5
159.11678	4.0
163.11154	1.4
165.12756	1.0
167.10603	4.6
171.10211	1.3
173.11845	1.2
173.13257	1.4
177.12743	3.0
189.11165	4.4
195.13692	1.2
247.20625	2.9
257.19327	0.9
265.21744	1.3
275.20026	9.8
293.21060	100.0
294.21414	5.0
367.24823	26.7
368.24890	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	9.5
55.01867	18.2
55.05234	2.7
55.05501	34.0
57.03424	22.6
57.07065	9.5
65.03941	4.4
67.05498	100.0
67.27202	2.3
68.28253	2.3
69.03418	9.4
69.07062	32.7
69.64127	21.7
71.04964	8.4
71.08622	6.0
79.05486	56.2
81.03416	16.7
81.07046	99.9
83.04969	18.2
83.08606	20.7
83.62769	2.3
85.06520	9.4
85.10157	3.1
87.40382	2.4
91.04930	3.9
91.05468	73.8
93.07029	59.1
95.04962	24.5
95.08602	50.6
97.02902	4.9
97.06516	9.2
97.10152	5.3
98.20697	4.8
99.04452	2.9
99.08074	10.7
103.05424	2.8
105.07018	55.6
107.04948	17.0
107.08580	46.1
108.08954	2.3
109.06495	12.5
109.10142	48.4
111.04397	5.7
111.08070	10.4
113.09624	3.9
114.77695	2.6
115.05425	2.3
117.07024	14.1
119.08558	25.9
121.06452	5.7
121.10150	15.8
123.08037	10.2
123.11730	13.1
125.09618	14.0
129.06992	5.1
131.08569	14.2
133.06424	4.4
133.10114	77.5
134.10493	2.7
135.08005	8.5
135.11690	15.2
137.09589	14.7
139.11130	3.3
143.08586	4.2
145.10089	19.1
147.08023	3.2
147.11642	14.7
149.09604	7.8
149.13257	6.8
151.11157	38.6
157.10152	2.8
159.11690	10.2
161.09479	3.9
161.13203	5.5
163.11172	12.9
163.14769	4.3
165.09151	4.5
165.12724	4.7
169.12273	5.1
171.11690	5.6
173.13190	8.2
175.11125	3.9
177.12772	3.0
177.16408	2.5
185.13306	2.7
187.14859	3.4
195.13817	4.5
201.16356	3.6
209.11615	2.9
229.19516	4.5
247.20554	5.0
253.14351	4.8
257.18933	4.1
275.19986	37.6
293.21048	10.8
349.23657	7.2
366.57532	2.6
367.24759	27.8
367.29865	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	367.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.0
55.01850	6.4
55.05502	24.8
57.03424	15.4
57.07057	2.5
59.04968	1.8
65.03919	3.0
65.12226	1.2
67.05492	100.0
68.05807	1.4
69.03407	5.6
69.03732	1.3
69.07059	25.7
69.84991	6.4
69.85410	2.6
71.04967	3.2
71.08584	1.8
79.05483	33.6
81.03396	2.8
81.07040	67.8
83.04945	6.2
83.08610	12.1
85.06528	8.0
90.98900	1.4
91.05460	30.0
91.06019	2.6
93.07023	32.3
95.04951	7.6
95.07999	2.9
95.08590	46.0
97.06516	6.7
97.10149	11.2
99.08073	2.2
105.04478	1.4
105.07009	29.9
107.04912	4.6
107.08569	26.3
109.06508	9.5
109.10138	29.8
111.08081	4.7
117.06992	7.3
119.08570	20.1
121.06462	3.0
121.10127	14.9
123.08035	4.7
123.11676	5.5
125.09620	12.4
129.06972	4.7
131.08527	7.2
133.10097	17.2
135.08028	4.0
135.11635	7.8
137.09569	5.7
137.13246	1.6
139.11121	2.3
143.08545	2.2
145.10074	11.0
147.08096	1.9
147.11650	17.0
149.09615	6.5
149.13225	4.2
151.11165	1.9
157.10054	3.9
159.11723	10.3
161.13232	5.4
163.11124	4.3
165.12694	2.2
169.10103	2.9
171.11662	3.2
173.11696	8.1
173.13251	4.2
177.12738	3.0
181.12270	1.5
183.11688	2.4
187.11044	1.9
187.14735	2.3
189.11160	6.3
193.12164	1.6
195.13672	1.4
197.13173	2.8
207.13667	1.6
215.17943	1.7
229.19502	2.3
239.17885	2.2
247.20589	1.9
257.18930	6.4
275.20035	23.9
276.20358	1.8
293.21014	3.3
328.05432	1.5
349.23767	3.6
349.29001	3.3
367.24857	29.9
367.29767	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
55.01867	3.4
55.05505	23.0
57.03423	3.8
57.07058	10.3
65.03902	5.7
67.05494	42.6
69.03410	7.3
69.07060	21.3
71.04974	8.6
79.05479	35.9
81.07044	54.3
83.04956	6.5
83.08604	9.9
85.06520	7.6
85.10155	4.1
91.05461	58.3
92.92122	2.4
93.07030	80.1
95.04955	37.6
95.08596	60.1
97.06535	14.8
97.10207	2.5
99.08083	2.8
103.05455	5.9
105.07019	100.0
107.04966	3.1
107.08574	59.1
109.06510	19.5
109.10140	43.1
111.08049	4.3
115.05400	3.8
117.07011	22.7
119.08561	98.4
121.06479	10.6
121.10124	47.3
123.08034	8.0
123.11669	15.0
125.09607	2.8
128.06194	10.6
129.06998	19.4
130.07764	8.3
131.08539	56.4
131.76305	2.7
133.06458	3.4
133.10107	62.8
135.08046	18.6
135.11668	21.7
137.09578	9.1
139.11121	3.2
141.06961	11.4
142.07764	19.8
143.08553	42.3
144.09312	8.7
145.06448	3.3
145.10100	56.4
146.07274	5.7
147.08026	8.9
147.11650	21.7
149.09613	19.6
149.13147	5.4
151.11182	3.4
155.08524	14.8
156.09312	13.3
157.10098	53.8
158.10861	5.5
159.11661	42.9
161.09613	42.9
161.13229	10.0
163.11169	7.9
165.07027	4.1
167.08513	9.1
168.09315	6.0
169.10065	17.2
170.10812	5.9
171.11642	29.1
172.12460	7.7
173.09581	7.8
173.13248	26.1
175.11156	9.7
175.14825	21.0
179.08539	6.6
181.10083	11.0
182.10861	6.1
183.11644	25.6
184.12407	3.6
185.09587	4.2
185.13272	17.0
187.14795	11.5
191.14320	5.9
193.10088	3.8
194.10904	10.5
195.11780	15.9
196.12430	4.0
197.13289	20.3
199.11200	3.0
199.14790	15.9
201.12738	6.4
201.16362	6.7
207.11682	5.8
209.13266	20.3
210.13980	3.4
211.14754	11.0
213.12688	6.2
213.16228	3.8
215.14250	3.2
219.11534	3.2
220.12491	2.8
221.13173	6.4
223.14816	9.5
225.16339	4.0
226.17197	3.1
227.14250	15.5
227.17862	3.5
235.14761	4.3
239.17973	7.0
241.19469	3.8
241.25063	3.1
249.16454	3.4
251.17981	4.1
253.19676	3.1
255.17488	5.2
257.19019	5.2
265.19464	7.3
267.17337	4.0
269.18961	7.5
275.20111	3.8
293.18900	4.2
344.04422	3.0
349.25122	9.6
353.85547	2.8
367.26385	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	369.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99667	1.6
56.96560	3.9
67.05497	2.8
69.03417	6.3
69.07062	2.9
70.06575	8.2
70.64156	1.8
71.69519	3.3
72.08143	2.0
79.05475	3.4
81.03403	3.4
81.07041	3.5
83.04984	2.1
84.04492	2.6
85.02898	5.5
86.09743	4.0
91.05449	3.7
93.07045	3.0
95.04984	2.5
95.08582	3.0
98.77110	1.9
98.97582	6.9
99.04427	1.8
105.07003	5.2
107.04936	4.6
109.02850	4.3
109.06529	3.5
116.98605	5.8
119.04951	3.7
119.08565	3.9
123.08038	4.9
127.03905	2.3
131.08528	3.6
133.06483	3.3
134.99629	3.5
135.08084	3.2
147.04390	4.9
147.08020	2.4
147.11745	1.9
149.05945	2.1
151.07504	2.0
158.99620	2.2
161.05991	4.4
166.08653	2.2
175.03885	5.4
177.00763	2.4
182.97882	2.0
189.12776	4.3
193.04993	2.0
207.03210	3.4
207.06499	7.9
207.13748	4.8
208.13162	2.1
209.04771	1.9
219.06676	1.8
225.04309	14.1
243.05435	2.7
244.80467	1.7
249.04222	9.1
267.05457	3.6
294.36353	2.0
346.15057	1.7
369.09460	100.0
369.15091	58.2
369.19180	2.2
370.09952	4.4
378.95715	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0963
Annotation	3,4-Methylenedioxy-2'-hydroxy-3',6'-dimethoxy-[2'',3'':4',5']-furanochalcone
Peak:m/z	Relative Intensity
53.00293	0.9
55.01861	5.0
55.05487	0.7
58.00626	0.5
65.03617	0.6
65.03925	6.8
67.05503	0.9
68.99780	4.1
69.03401	0.8
69.07040	1.0
70.52180	0.7
70.52555	0.7
71.01294	0.5
72.42152	0.4
77.54961	0.4
79.05476	3.2
81.03390	1.0
81.07030	1.9
81.75191	0.5
89.03916	2.7
91.05459	1.5
93.03389	4.5
93.07050	0.6
95.01336	1.4
95.04970	1.6
95.08592	0.7
103.05444	1.4
105.03357	0.6
105.06995	1.2
107.04948	0.5
107.08556	0.9
109.02858	1.0
111.04423	9.2
115.05451	1.2
117.03352	3.0
117.07040	0.5
119.04913	2.2
119.08611	0.8
121.02853	1.2
123.04418	7.2
123.08018	0.4
125.02293	0.5
131.04909	4.8
133.06483	0.6
135.04395	72.0
136.04727	2.0
137.05963	1.8
139.03886	1.5
143.04884	1.3
145.02814	8.8
147.04379	5.4
147.11760	0.6
149.02319	100.0
150.02638	2.5
151.03877	15.7
156.23427	0.5
159.04350	3.0
161.05954	5.3
161.55753	0.5
163.03865	4.3
171.04422	0.5
173.05920	4.5
175.03882	33.4
175.53841	0.5
176.04358	0.6
177.05444	3.1
177.06917	0.6
179.08353	0.7
184.51013	0.5
189.05429	4.6
189.06950	0.8
191.03375	1.5
191.07007	1.1
201.05482	1.2
203.06943	1.3
205.06285	0.6
205.71654	0.5
207.06474	1.6
217.04930	13.7
219.06500	3.9
233.05940	1.2
235.07500	1.6
247.07468	0.8
251.07028	0.8
255.06458	0.9
263.06903	3.0
275.07019	0.8
277.17868	1.4
279.06720	0.6
291.06522	1.3
293.08069	1.8
303.06284	0.5
306.79675	0.5
308.06622	0.5
309.07486	0.8
321.07529	1.2
323.09131	0.9
328.45743	0.5
339.04535	1.0
339.08560	16.7
340.08871	1.2
351.21387	0.5
369.09625	57.1
370.10016	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0964
Annotation	3,4-Methylenedioxy-2'-hydroxy-3',6'-dimethoxy-[2'',3'':4',5']-furanochalcone
Peak:m/z	Relative Intensity
51.02372	0.6
53.00299	0.5
55.01864	5.2
55.05499	0.6
57.03423	0.8
65.03929	7.5
67.05484	2.1
68.99776	5.0
69.07037	0.8
70.05128	1.7
70.05542	0.9
71.04974	0.4
74.21011	0.4
76.97832	0.4
77.03921	0.6
77.87706	0.4
79.05474	2.4
81.03410	0.4
81.07036	1.5
83.08626	0.5
89.03880	3.0
91.05486	1.9
93.03392	4.1
93.07021	1.5
95.01315	1.3
95.04939	1.6
95.08582	1.4
97.06518	0.4
98.20787	0.7
103.05460	1.3
105.03389	0.9
105.06998	0.8
107.08601	0.8
109.02875	0.9
109.10136	0.6
111.04421	9.1
111.05154	0.6
115.05473	1.0
117.03339	2.8
117.06938	0.7
119.04914	1.8
121.02810	1.1
121.10142	0.6
123.04404	7.3
123.11794	0.4
125.02335	0.5
131.04900	4.7
131.08600	0.6
133.10120	0.5
135.04395	66.2
135.11777	0.5
136.04739	1.7
139.03900	1.2
143.04910	1.4
145.02821	9.1
145.06487	0.4
145.10056	0.5
146.03241	0.5
147.04395	5.1
147.11636	0.5
149.02318	100.0
150.02652	2.7
151.03885	16.4
152.28679	0.5
159.04391	3.6
161.05959	3.3
163.03900	5.0
165.37363	0.4
173.05984	3.7
174.15108	0.4
175.03877	28.7
176.04242	0.7
177.05461	3.2
181.06760	0.4
187.03877	0.5
189.05423	4.1
191.03371	1.4
191.07053	1.5
201.05440	1.2
201.99927	0.4
203.06996	1.6
205.06465	1.2
207.06421	0.7
217.04927	11.5
219.06490	3.8
233.05817	0.7
235.07524	2.7
251.07130	1.1
255.06602	0.8
263.07025	2.4
277.21503	0.4
293.08081	1.5
309.07578	0.8
321.07574	0.5
323.09052	0.4
338.53494	0.4
339.08591	14.0
339.12634	0.8
340.08914	0.8
369.09641	56.8
370.10068	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	369.0964
Annotation	Aversin
Peak:m/z	Relative Intensity
51.02361	0.6
52.65634	0.5
53.03938	1.0
54.31440	0.5
55.01863	34.3
55.05495	1.5
57.07055	0.7
58.36539	0.5
65.03933	2.7
65.92850	0.5
66.02621	0.6
67.05488	2.5
68.99759	1.1
69.03416	0.7
69.07052	2.0
71.08604	1.0
77.03880	0.8
79.05476	5.5
81.07021	2.9
83.04931	0.8
83.08616	1.1
91.05466	2.1
93.03386	1.0
93.07066	2.6
95.01278	0.9
95.04947	2.6
95.08582	2.3
98.21519	1.0
103.05457	9.2
103.50338	0.6
105.03381	1.1
105.07026	3.7
107.08616	1.3
107.29572	0.5
109.10127	1.3
110.71316	0.6
111.04432	2.0
115.05429	10.1
117.03403	0.9
117.06985	1.7
119.04935	1.4
119.08539	1.7
120.47311	0.6
121.06522	0.6
121.10110	1.4
123.04391	1.9
131.04913	14.4
131.08543	1.2
133.06454	4.4
133.10072	1.4
135.04393	100.0
135.11687	0.9
136.04749	1.9
137.13261	0.7
143.04900	8.4
145.02861	1.2
145.06514	0.9
145.10086	1.2
147.04376	5.8
147.11697	0.6
149.02318	57.7
150.02670	1.2
151.03882	4.3
159.04396	5.8
159.11682	0.8
161.05969	10.6
161.13252	0.7
163.03893	1.8
169.10078	0.7
171.04449	0.7
173.05962	25.9
175.03906	4.1
177.05435	8.2
179.14218	0.6
187.03888	0.7
187.14728	1.2
189.05449	9.1
190.06119	0.8
191.03378	2.3
191.07007	8.5
201.05473	6.2
202.70114	0.7
205.06525	1.2
209.04424	1.0
209.13521	0.7
217.04912	2.9
219.06497	28.6
220.06834	1.4
233.06020	0.6
255.06471	4.4
263.06995	1.8
291.06516	1.8
293.07971	1.1
295.21649	0.7
323.27328	0.7
339.08572	7.9
351.08517	0.8
369.09644	29.9
369.23743	1.3
369.27997	1.2
370.09976	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55544	0.3
67.45342	0.3
69.45284	3.6
84.08155	0.4
85.02918	0.4
87.37230	0.4
94.30898	0.4
121.06448	0.9
125.69250	0.3
125.76484	0.4
131.04913	1.7
146.06061	0.4
149.05966	1.8
149.42137	0.4
157.69707	0.4
185.04263	0.9
196.06786	0.4
207.06241	1.0
219.47330	0.3
249.06093	0.7
341.66833	0.4
369.11502	100.0
370.11838	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	369.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02942	0.4
63.33749	0.3
65.89387	0.3
69.76885	1.8
106.15911	0.3
121.06484	0.6
125.50817	0.3
131.04913	1.2
149.05951	1.4
185.04207	0.6
200.72055	0.3
203.05223	1.0
207.06377	1.6
225.06042	0.4
249.06010	0.4
267.07104	0.4
286.80652	0.4
289.31445	0.4
369.11490	100.0
370.11826	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	369.1328
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
53.03948	0.5
55.01855	2.1
55.05496	1.4
57.03424	1.4
65.03920	1.1
67.05488	2.4
69.03416	2.4
69.07058	1.2
69.60227	1.8
69.60646	2.9
71.04974	0.8
79.05486	2.5
81.03421	2.0
81.07043	2.7
83.04980	0.8
83.08597	0.7
85.02901	2.4
86.01046	0.5
91.05463	7.0
93.07036	2.7
95.04967	2.7
95.08589	3.0
97.02901	1.0
97.06509	1.9
103.05482	0.8
105.03352	0.8
105.07034	2.8
107.04933	1.6
107.08575	1.7
108.26424	0.5
109.02890	1.2
109.06486	0.9
109.10136	1.4
111.04472	1.0
111.08109	0.7
111.48346	0.5
114.29375	0.5
115.05428	1.2
117.07009	1.2
119.04945	4.0
119.08562	2.4
121.06500	1.5
121.10120	1.5
123.04429	0.9
123.08070	0.8
125.05947	1.0
128.06230	1.7
129.06995	1.3
131.04895	2.1
131.08549	1.6
132.05655	0.8
133.10104	1.3
133.92062	0.6
135.04370	0.7
137.05948	2.4
137.07007	0.5
141.07027	0.8
143.08505	0.9
145.06461	1.7
145.10147	0.8
147.04393	4.4
147.08035	1.2
147.11671	1.1
151.03828	0.6
152.06160	0.9
153.05440	0.8
153.06923	0.6
155.04906	0.5
157.06523	0.8
159.08051	0.9
159.11630	0.8
160.05179	0.8
161.05919	0.8
161.09572	1.0
161.13228	1.0
163.03915	1.3
165.06981	3.2
166.07794	1.2
167.06996	0.7
167.08514	0.7
169.06477	1.4
169.10081	0.6
171.08022	0.8
171.11652	0.7
173.13069	0.7
175.03883	5.6
175.07529	4.1
177.05521	0.8
177.06956	0.7
178.07719	2.8
179.08540	2.1
181.06476	1.9
183.06519	1.7
184.05226	1.2
187.07565	0.7
189.05437	1.0
189.06989	2.4
190.07777	2.1
191.08565	4.5
192.05643	0.9
193.06480	1.5
194.07204	4.2
195.07993	2.0
199.07515	11.5
202.07700	4.2
203.08551	4.0
205.06377	3.8
206.07193	2.7
207.06378	8.7
207.08215	3.7
207.13934	1.3
208.08774	1.2
209.05829	0.9
209.09512	2.8
210.06633	1.0
211.07536	1.0
215.08627	1.2
217.06448	0.9
217.08382	0.7
218.07268	3.8
219.08051	7.7
220.05128	0.7
220.08740	4.1
221.05977	3.9
221.09567	1.9
222.06674	3.5
223.07486	3.7
223.11143	0.7
224.08273	0.7
230.07158	0.7
231.08038	6.5
232.08838	2.4
233.05986	3.5
233.09575	1.7
234.06677	3.1
235.07503	7.5
236.08348	3.3
237.05479	0.9
237.09070	5.1
238.06134	1.5
238.09749	1.9
239.06953	1.2
245.09645	0.9
246.06807	2.0
247.07492	7.6
248.04523	0.7
248.08231	6.5
248.10184	0.5
249.05508	1.6
249.09070	4.8
250.06256	4.8
250.09912	1.4
251.07024	5.2
251.10635	1.8
252.07796	3.1
253.08495	1.3
258.06714	0.7
259.07574	2.0
260.08359	1.4
261.05444	1.1
261.09137	2.1
262.06183	1.1
262.09778	1.5
263.07010	4.5
263.10602	2.5
264.07758	3.5
265.08524	16.6
265.11371	1.1
266.06036	1.2
266.09250	4.1
267.06589	1.2
267.09988	1.1
275.07025	2.0
276.07816	3.3
277.05841	0.6
277.08578	3.2
278.05835	1.3
278.09418	3.2
279.06509	3.9
279.10089	5.6
280.07355	1.4
280.10800	1.1
281.08331	0.7
281.11722	1.0
282.08862	1.2
283.09598	1.0
289.04950	0.6
290.09335	1.1
291.06857	0.7
291.10077	14.8
293.08005	6.7
294.08804	5.7
295.09625	2.8
305.08105	1.3
307.09583	6.1
308.10107	2.9
309.11172	14.4
309.14551	1.0
311.09567	0.9
311.12573	3.7
313.70419	0.7
315.08487	1.1
315.30292	0.5
319.09598	8.6
322.08328	3.0
323.09134	2.6
324.09790	1.0
325.10690	1.0
336.09860	0.8
337.10651	100.0
338.11209	9.9
339.12119	6.4
351.11578	0.9
354.10831	0.7
369.13220	27.5
369.23819	0.8
370.13412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.01862	3.2
55.05501	3.5
57.03419	4.2
61.02907	5.9
67.05481	5.4
69.03419	21.5
69.07051	3.5
70.86415	5.0
70.86772	3.5
73.02881	3.0
79.05451	4.5
81.03399	8.4
81.07014	5.6
83.04964	12.1
85.02894	41.4
91.05443	8.7
93.07014	8.9
95.04964	10.4
95.08572	3.2
95.44506	1.7
97.02885	13.2
97.06512	3.1
99.04427	2.1
103.03929	3.1
105.07026	16.1
107.04926	2.4
107.08579	9.8
109.02830	6.0
109.06483	7.3
109.10127	5.4
111.73436	1.9
117.07028	3.8
119.08559	17.5
121.06503	11.6
121.10109	12.3
123.04401	2.3
123.08045	5.2
124.07150	2.3
125.09617	3.2
125.83817	1.6
127.03882	7.6
131.08513	6.0
133.06429	3.5
133.10104	25.5
135.07982	5.9
135.11714	2.9
137.09587	11.4
143.08557	4.9
145.04919	8.0
145.10077	9.1
146.07288	2.1
146.28110	2.6
147.08018	6.9
147.11649	8.0
149.09604	34.6
151.11157	100.0
156.09279	3.7
159.07997	7.3
160.08745	2.6
161.09612	15.8
161.13220	11.1
163.11159	34.3
171.11665	9.0
173.09630	2.3
173.13210	3.3
174.10376	23.2
179.10648	33.4
179.74788	1.8
187.11185	2.4
189.12714	62.8
191.14272	56.3
191.15988	3.7
205.12180	10.0
207.13782	78.4
208.14101	4.5
241.10590	2.1
276.80045	1.8
292.88483	1.9
294.22665	2.0
325.16156	4.2
355.14243	2.1
369.19073	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.6
55.01855	4.2
55.05495	3.2
55.85295	1.2
57.03413	2.8
59.04990	2.1
61.02908	4.7
62.87662	1.3
67.05470	4.3
69.03423	17.8
69.07053	1.7
69.84743	1.3
70.86304	4.3
71.04967	3.0
73.06562	1.6
79.05479	3.3
81.03400	6.9
81.07027	4.4
83.04961	12.4
85.02891	26.2
87.44267	1.2
91.03984	1.2
91.05454	6.8
93.07026	8.4
94.69099	1.4
95.04947	10.3
95.08575	4.6
97.02880	11.3
97.06517	2.3
105.07018	15.8
107.04941	1.8
107.08584	6.8
109.02885	6.7
109.06503	7.5
109.10120	3.6
117.06992	3.5
119.04954	2.6
119.08553	12.0
121.06476	8.8
121.10142	8.9
123.04424	2.3
123.07990	6.4
127.03884	4.5
131.08502	4.8
133.06464	1.7
133.10095	20.3
135.08063	4.5
137.05948	2.7
137.09587	7.8
141.06972	1.3
143.08540	5.1
145.04938	5.3
145.06447	1.9
145.10095	8.8
146.07263	2.0
147.08018	6.2
147.11659	5.9
149.05974	1.8
149.09602	26.4
149.13214	2.7
151.11156	70.4
156.09311	4.6
157.10005	1.5
159.08054	5.5
159.11633	3.1
160.08810	4.2
161.09616	11.7
161.13197	6.6
163.11163	24.4
167.07014	1.5
171.11679	6.0
173.13239	2.7
174.10390	12.2
175.11099	4.4
179.07138	1.3
179.10643	20.8
187.11185	2.3
188.10648	1.6
189.12721	43.8
190.13168	1.5
191.14287	46.4
191.15988	2.9
205.12248	6.4
207.06421	1.9
207.13779	62.3
208.14206	1.9
229.12277	1.6
289.14352	2.5
369.15137	100.0
369.18790	4.6
370.15573	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	369.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69780	1.4
52.03144	1.7
53.03923	3.3
54.00716	1.6
55.01848	3.0
55.05492	3.6
57.03415	3.9
59.04977	3.2
59.35461	1.3
59.41117	1.5
61.02909	5.1
67.05488	5.4
69.03419	23.9
69.07057	3.9
71.04966	2.5
71.50443	3.0
73.02884	2.5
79.05477	5.5
81.03403	9.5
81.07032	6.4
83.04958	14.7
85.02889	42.8
87.04411	1.8
91.03941	1.7
91.05447	11.0
93.07017	11.1
95.04964	11.4
95.08587	4.6
97.02875	14.9
97.06515	3.1
99.04433	3.5
103.03915	1.7
103.05399	1.7
105.07011	22.0
107.04871	3.3
107.08575	12.6
109.02849	9.5
109.06480	11.2
109.10121	7.3
111.04438	2.5
117.06994	3.7
119.04923	4.6
119.08566	17.4
120.09475	1.6
121.06491	11.6
121.10131	14.7
123.04362	4.0
123.08047	5.5
123.11663	2.3
127.03907	10.2
131.08536	6.0
133.06422	3.0
133.10110	28.2
135.08029	7.2
135.11684	2.2
137.05925	2.1
137.09587	14.3
143.08528	4.9
144.29089	1.8
145.04938	7.9
145.06404	2.2
145.10086	8.5
146.07175	1.9
147.04356	1.9
147.07997	7.0
147.11693	9.1
149.09601	41.0
149.13234	2.2
151.11157	100.0
152.11482	3.1
156.09297	5.3
159.08025	11.2
159.11723	2.6
160.08813	4.5
161.09601	15.0
161.13235	10.9
163.11157	32.8
165.05373	1.8
171.11644	10.8
173.09665	1.8
173.13205	3.8
174.10358	24.0
175.03841	3.4
175.07451	1.7
175.11052	3.5
179.10638	27.3
187.11203	5.6
189.12723	77.1
190.12933	2.2
191.14273	56.3
192.14642	2.0
193.94458	1.7
201.12691	2.0
203.05220	13.8
205.12199	8.6
207.06444	3.6
207.13771	79.4
208.14166	2.1
223.09604	2.6
229.12161	2.1
231.10144	1.7
289.14304	2.2
369.15097	25.0
369.19022	4.3
370.15091	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99414	4.0
53.03936	8.3
55.01867	5.9
55.05500	29.2
55.25580	4.4
57.03419	9.4
57.07059	7.9
63.30062	3.6
67.05500	52.7
69.07064	18.2
70.07063	9.5
70.07484	19.0
71.04986	4.1
71.08616	42.6
73.01849	4.6
79.05487	52.5
81.03417	3.9
81.07043	52.7
83.04956	11.5
83.08611	15.6
91.05468	39.2
93.07034	71.5
94.07368	4.5
95.04937	13.2
95.08583	45.3
95.78259	3.8
97.06493	9.5
97.10172	8.3
99.08089	28.3
105.07023	31.6
107.04965	6.0
107.08576	39.4
109.06501	9.4
109.10161	18.3
111.08071	5.1
114.92001	4.3
115.92008	4.0
117.07040	5.8
119.08586	24.0
121.10122	34.8
123.08125	6.5
125.09557	6.3
129.06947	6.3
129.46051	4.4
131.08568	10.3
133.10133	21.0
135.04320	4.8
135.11658	34.3
137.09624	4.2
143.08545	9.9
145.10068	9.8
147.11659	14.3
149.02278	10.2
149.13278	9.9
151.11197	13.9
157.10172	7.5
159.11655	11.8
161.09616	5.0
161.13275	11.2
163.11169	5.9
171.11629	7.9
173.11798	4.5
173.13216	8.2
175.14795	7.0
179.14285	100.0
180.14607	5.8
183.11794	6.5
185.13329	5.2
193.04886	4.5
207.13837	4.8
241.19547	5.9
246.66951	5.7
259.20697	6.9
277.21585	59.5
320.45950	4.8
351.25348	51.6
369.09650	12.5
369.24112	13.4
369.27972	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	369.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	8.7
55.01870	10.6
55.05508	56.0
57.03422	20.4
57.07054	10.2
59.04974	3.0
65.03925	6.8
66.57582	2.1
67.05492	100.0
69.03419	2.9
69.06741	2.6
69.07060	35.9
71.05001	11.1
71.08623	32.6
71.70192	3.5
77.03914	3.6
79.05483	62.3
81.03417	15.8
81.07044	90.9
83.04968	21.3
83.08105	2.6
83.08607	34.7
85.06506	5.3
91.05464	44.0
93.07025	73.2
94.07333	3.0
94.23107	2.0
95.04951	22.1
95.08589	54.6
97.06522	17.2
97.10159	13.4
97.60023	2.0
99.08076	22.6
102.64664	2.1
103.05437	3.5
105.07018	39.7
107.04912	6.9
107.07942	2.0
107.08582	52.0
109.06487	9.9
109.10126	23.9
111.04452	5.6
111.08072	8.4
115.05446	3.8
117.07021	13.2
119.08575	22.8
121.06498	4.8
121.10123	30.5
123.08055	7.2
123.11667	7.3
125.09618	10.4
129.06984	4.9
131.04927	7.6
131.08536	13.7
133.10110	24.6
135.04378	27.2
135.08018	4.1
135.11661	20.9
137.09596	3.3
137.13219	3.6
139.07474	2.4
139.11192	2.8
143.08499	8.3
145.06512	3.4
145.10118	12.2
147.04398	2.8
147.11655	18.7
149.02316	36.8
149.09532	6.9
149.13258	28.0
151.03876	6.2
151.11154	39.3
153.09094	4.5
157.10094	9.2
159.04370	4.4
159.11632	13.8
161.09523	3.4
161.13272	15.6
163.11177	10.5
163.14723	2.9
165.12727	9.5
169.12363	2.2
171.11649	8.6
173.05928	4.4
173.11696	8.0
173.13145	4.8
175.03874	4.3
175.11229	3.1
175.14780	4.6
177.12723	6.3
179.14262	14.7
183.11797	3.1
185.13185	5.5
189.05563	2.9
189.11176	14.0
189.12688	2.9
193.12222	2.7
195.12076	2.1
195.13719	11.5
207.13727	3.8
217.05029	2.9
219.06393	4.9
221.15247	3.3
227.12837	10.6
241.19484	7.6
245.13818	5.3
249.22188	3.2
253.17886	2.8
259.20535	10.1
269.17419	32.6
277.21606	60.7
339.08624	4.2
347.34595	2.2
351.25299	30.7
369.09604	45.3
369.14084	3.3
369.26288	14.5
370.09805	4.5
370.27542	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	369.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.7
55.01852	21.0
55.05508	40.9
57.03428	19.3
57.07059	9.4
59.04984	3.8
65.03915	6.0
67.05135	5.7
67.05495	100.0
69.03411	9.3
69.07050	30.3
69.42831	28.7
71.04977	7.1
71.08620	53.9
79.05479	69.6
81.03395	17.9
81.07041	87.9
81.07390	1.8
82.07344	2.9
83.04950	15.3
83.08613	30.2
85.06516	7.9
91.05462	47.6
93.07030	64.3
95.04955	28.4
95.08589	50.3
97.06501	15.6
97.10160	20.8
99.08084	43.8
103.05470	5.4
105.07008	38.1
107.04929	4.3
107.08569	40.6
109.06499	7.6
109.10129	28.2
111.08051	5.7
115.05449	5.1
117.06993	12.2
119.08549	23.2
121.06479	4.0
121.10133	21.9
123.04391	2.8
123.07993	4.4
123.11684	9.9
125.09637	22.5
129.06970	6.0
131.04903	9.0
131.08543	11.5
133.06528	2.9
133.10098	23.7
135.04387	47.1
135.08044	7.4
135.11682	18.8
137.09564	3.6
137.13281	5.1
143.08545	5.3
145.10135	14.5
147.04449	3.9
147.11670	19.9
149.02315	48.1
149.13240	14.7
151.03894	6.8
151.11172	63.6
157.10091	5.2
159.11696	8.9
161.05922	3.6
161.13205	20.0
163.03813	2.9
163.11198	14.8
163.14812	4.5
165.09064	3.0
165.12775	13.0
171.11674	8.9
173.05963	10.2
173.11739	16.3
173.13182	5.7
175.03886	9.1
175.14825	7.8
177.05458	3.5
177.12735	5.7
179.14270	13.6
185.13203	4.6
189.05507	3.8
189.11205	28.7
191.07103	3.1
195.13777	4.6
199.14815	5.5
219.06519	7.3
221.15280	5.6
227.12764	22.9
231.21051	3.8
241.19514	6.4
245.13808	15.8
253.17967	12.1
259.20547	11.5
269.17514	14.6
277.21582	64.2
295.22372	7.3
318.05649	3.3
339.08578	6.1
351.25293	32.6
354.86230	2.9
369.09641	33.8
369.26334	11.2
370.09836	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	371.1119
Annotation	Styraxin
Peak:m/z	Relative Intensity
53.03935	2.3
55.01863	47.3
65.03918	4.3
67.05479	4.6
68.90584	0.9
69.03391	1.3
69.07025	1.8
70.13889	3.7
79.05479	6.3
81.03396	1.9
81.07023	4.1
85.06557	1.2
89.03885	1.2
89.10379	1.1
90.36816	0.9
91.05453	2.5
93.03376	3.2
93.07008	4.5
94.04184	1.6
95.04932	4.0
95.08582	2.3
97.02877	1.3
97.06506	1.4
100.05956	0.9
103.05447	18.2
105.03374	2.1
105.04516	1.1
105.07007	5.8
105.22178	0.9
107.04927	1.3
107.08566	4.2
109.02871	1.5
109.06513	1.6
109.10135	3.4
111.04398	3.9
115.05444	9.2
117.03363	2.1
117.06956	1.6
119.04910	2.4
119.08555	3.7
121.10108	3.9
122.03612	2.6
123.04439	2.4
123.11635	1.1
125.05955	2.8
131.04904	25.7
131.08565	1.9
133.06442	5.7
133.10088	2.4
135.04390	100.0
135.11618	1.7
137.05949	43.5
141.05444	3.0
142.36108	1.0
143.04922	11.8
145.02808	5.1
145.06456	1.1
145.10109	1.8
147.04366	7.0
147.07965	1.4
147.11694	1.8
149.02324	18.6
149.05952	4.5
151.03888	85.1
151.04974	5.6
152.04274	1.5
153.01842	1.6
153.05450	4.6
157.10092	1.6
159.04369	9.2
160.05168	6.1
161.05951	19.1
161.13194	1.2
163.03867	1.6
163.07515	2.5
165.09145	1.9
167.06970	5.3
171.04355	1.2
173.13313	1.1
175.03851	7.1
175.07512	37.9
175.14793	1.3
176.04683	2.0
177.05455	9.6
179.07016	6.8
184.78506	1.0
189.05380	7.1
191.06996	8.3
192.07713	1.6
193.04929	3.4
193.08589	9.3
201.05354	1.8
201.09059	1.2
203.06969	8.4
213.16556	1.1
217.04903	3.3
217.08548	2.0
219.06447	4.9
221.08047	33.0
235.07433	1.7
249.09081	1.4
253.19531	1.5
257.08017	9.7
263.06717	1.1
265.08524	1.9
277.08640	1.6
295.09558	2.0
307.23947	1.2
321.11182	1.2
325.25171	1.3
341.10147	11.4
353.10077	1.2
353.13779	2.5
353.24966	1.2
371.11172	72.1
371.14578	2.8
371.25665	3.6
372.11426	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	371.1121
Annotation	(7'S)-Parabenzlactone
Peak:m/z	Relative Intensity
51.02391	1.0
53.00333	0.7
55.01861	5.0
63.04251	0.6
65.03928	6.6
67.05515	2.2
68.99799	2.8
70.86623	1.9
71.04990	0.6
79.05470	3.2
81.03417	0.9
81.07063	1.1
85.02909	0.7
89.03891	4.2
91.05460	1.5
93.03394	5.4
95.04974	3.6
103.05455	1.7
105.07060	0.8
107.04945	2.9
107.08617	1.1
108.02060	3.1
109.02865	0.8
109.06561	0.9
110.03650	1.3
111.04422	9.4
115.05457	2.0
117.03365	2.9
119.04955	2.3
122.03629	2.4
123.04424	6.4
125.05981	2.8
127.03927	0.7
129.07014	2.5
131.04929	6.6
131.08582	2.4
133.06496	1.2
133.10127	2.1
135.04398	60.2
137.05960	22.6
137.09592	2.2
138.06259	0.8
141.05424	3.3
143.04927	1.8
144.05640	1.1
145.02843	9.2
145.06476	0.9
147.04311	3.7
149.02322	31.7
149.05960	1.0
151.03888	100.0
151.04968	7.0
152.04265	1.8
153.05466	1.5
156.05684	3.8
157.06476	1.2
159.04410	1.7
159.08002	2.4
160.05208	0.9
161.05959	4.7
163.03894	5.9
163.07475	1.3
165.05450	0.7
167.07022	11.4
171.04428	0.7
173.06010	3.9
175.03886	30.2
175.07472	3.7
176.04433	1.5
177.05489	2.4
178.07742	0.9
179.07039	2.1
187.03906	0.9
187.07491	2.9
189.05424	2.9
189.06984	0.9
189.09059	1.0
191.07031	3.0
191.14232	1.2
192.07710	1.0
193.04945	0.9
201.05389	1.6
202.06245	1.1
203.06995	1.6
203.08664	1.0
205.06456	1.1
205.08392	0.7
206.07193	1.5
207.08084	0.8
217.04875	2.4
217.08569	11.4
218.07169	1.9
219.06419	10.2
219.08144	1.0
221.09595	1.0
223.07524	1.1
231.08031	1.9
232.08682	1.1
233.05850	1.3
233.09531	2.6
234.06682	1.5
235.07423	2.4
237.08879	0.8
239.07031	1.8
241.08522	2.4
246.06726	1.2
247.07358	1.2
247.09586	4.1
248.08272	0.8
249.09006	2.9
250.09764	0.9
251.06947	1.5
252.07750	2.2
257.07990	2.4
260.08316	0.9
261.09079	3.8
262.09631	1.0
263.07068	4.7
264.07639	1.0
265.08499	1.8
269.07990	1.1
271.05936	1.1
277.08521	3.6
278.09232	1.9
279.06268	0.9
280.07220	1.0
281.11624	1.3
285.07614	7.3
289.08444	0.9
291.06488	0.7
291.09970	0.8
293.08377	0.7
293.11627	3.3
295.09491	1.9
300.09866	8.4
301.10571	2.9
306.08633	1.5
307.09634	1.0
308.06778	0.7
309.11240	3.3
310.75656	0.8
311.09052	0.8
313.10474	1.6
321.11221	5.8
323.08939	1.7
326.11240	2.5
327.13818	2.4
338.11203	1.4
341.10162	14.1
341.13855	1.7
353.10144	0.8
353.13809	9.2
371.11075	59.7
372.11444	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	371.1121
Annotation	Styraxin
Peak:m/z	Relative Intensity
51.02381	0.6
53.03948	1.0
55.01862	5.7
55.05508	0.9
60.63913	0.5
65.03922	6.5
67.05487	1.8
68.99779	2.6
69.03410	1.1
69.57793	0.5
69.58100	4.9
71.01362	0.5
75.35658	0.5
79.05476	3.9
81.03403	0.7
81.07063	0.9
84.70276	0.5
85.02882	1.3
89.03898	3.8
91.05479	1.9
93.03391	5.3
93.07008	1.0
95.04969	3.1
100.11218	2.0
103.05447	2.0
103.54115	0.6
105.03422	0.6
105.07001	1.5
107.04924	2.7
107.08551	0.8
108.02073	1.6
109.02857	0.9
109.06487	0.7
110.03629	1.5
111.04427	10.4
115.05448	1.6
117.03356	5.3
117.07047	0.8
119.04935	2.9
119.08562	1.3
121.02850	0.7
122.03626	0.7
123.04421	8.8
123.08031	0.5
124.05142	0.8
125.06045	2.5
128.06198	0.7
129.06982	1.5
131.04918	5.7
131.08534	0.6
132.05746	0.9
133.06499	1.6
133.10107	1.6
134.94249	0.7
135.04393	57.5
136.04745	0.9
137.05954	13.0
139.03871	0.9
141.05461	4.5
143.04877	2.3
145.02820	9.4
145.06461	1.2
145.10054	0.6
147.04390	5.1
147.08075	0.9
149.02321	29.6
149.05989	1.1
149.09618	3.4
151.03886	100.0
151.04961	6.7
152.04156	1.3
153.05402	1.2
156.05659	0.7
159.04399	2.5
159.08078	1.4
160.05182	0.8
161.05925	5.1
163.03880	4.7
163.07489	1.2
167.07002	14.1
167.08345	1.0
171.04376	0.6
172.05220	0.7
173.05974	4.0
175.03888	27.0
175.07475	5.1
176.04529	0.6
177.05434	1.5
179.06984	2.2
179.08438	0.7
184.05043	0.8
186.05635	0.6
187.03926	0.7
187.07568	2.9
189.05420	3.0
191.07063	3.4
191.14255	1.2
192.07758	1.3
193.04948	1.4
199.07439	1.1
201.05389	1.2
203.06973	1.4
205.06520	1.0
209.15315	1.3
210.14885	0.7
217.04987	1.6
217.08559	2.7
219.06454	11.5
221.09634	1.2
221.78748	0.6
231.08107	0.6
233.06009	0.8
233.09558	1.0
235.07466	2.2
237.09070	1.2
237.47763	0.6
239.06934	0.7
241.08562	1.1
247.07567	0.6
249.09064	1.4
251.06842	0.6
257.08069	0.6
261.09143	1.3
261.98279	0.6
262.06271	0.7
263.07135	2.5
265.08603	1.1
269.08121	0.8
277.08582	0.9
278.09244	1.1
279.09995	0.6
281.11749	0.8
285.07520	1.3
289.08548	1.3
293.11615	1.1
295.09576	1.8
300.09845	1.4
309.11163	1.7
321.11157	1.6
323.08926	0.8
325.10641	0.7
326.11218	1.2
341.10159	15.2
341.13916	1.9
342.10474	0.7
353.13684	2.3
371.11172	63.4
371.14676	2.7
372.11435	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	371.1122
Annotation	Meridinol
Peak:m/z	Relative Intensity
53.03931	1.9
55.01864	40.6
55.05489	4.4
64.72627	1.4
65.03927	3.1
67.05485	5.7
67.23459	1.5
69.03412	1.5
69.07048	1.7
71.70907	2.7
75.90837	1.3
77.03902	1.5
79.05466	7.2
81.03391	2.6
81.07045	4.1
83.08604	1.9
86.14667	1.5
91.05452	2.5
92.70576	1.3
93.03387	2.1
93.07040	2.2
95.04955	4.1
95.08582	2.3
95.37217	1.4
97.02881	2.0
97.06509	2.8
97.48588	1.5
103.05463	16.5
105.07020	5.7
107.04926	2.2
107.08572	3.1
108.02030	1.7
109.10155	3.6
111.04433	3.7
115.05447	5.8
117.03346	2.2
117.06949	2.6
119.04957	3.5
119.08542	2.9
121.06490	1.9
121.10078	2.1
122.03642	2.5
123.04424	2.9
125.06002	2.5
125.09560	2.2
131.04915	22.7
131.08568	1.8
133.02832	2.3
133.06500	2.9
133.10094	2.1
134.03142	1.7
135.04396	100.0
135.11684	1.9
136.04735	5.6
137.05959	33.1
141.05444	1.7
143.04918	7.8
145.10089	1.9
147.04411	6.8
149.02315	21.1
149.05957	2.7
150.02650	2.6
151.02682	3.5
151.03891	57.8
151.04977	3.2
153.05377	2.2
159.04370	7.5
159.07988	1.8
159.11636	1.5
160.05157	4.2
161.05939	18.1
164.04518	1.4
175.03912	2.5
175.07532	28.1
177.05495	7.3
179.07011	4.0
184.70218	1.5
189.05412	8.5
191.06963	7.5
193.04929	2.0
193.08630	8.2
203.07002	6.9
205.04918	7.2
206.05336	5.9
217.04942	4.1
219.06494	5.2
221.08041	29.3
230.65913	1.4
231.06268	1.7
237.09222	1.5
249.18555	1.4
257.08038	9.6
263.07120	2.0
267.06818	1.6
279.19492	1.7
295.09659	2.6
305.07968	1.4
323.09067	2.3
341.10162	9.5
364.41965	1.4
371.11166	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.112
Annotation	Meridinol
Peak:m/z	Relative Intensity
50.69487	1.7
51.02374	2.2
53.03934	2.2
55.01599	2.1
55.01865	41.3
55.05477	2.5
55.36964	1.4
59.31946	1.5
65.03912	4.5
67.05486	5.5
69.07060	2.0
70.07127	8.3
78.62837	1.6
79.05482	8.6
81.03392	1.8
81.07028	3.5
83.08598	3.6
89.30821	1.4
91.05452	3.9
93.06979	1.8
95.04913	3.1
95.08614	1.6
97.10096	1.9
103.05464	19.8
104.05769	2.3
105.03400	2.4
105.07035	4.5
107.08564	3.4
109.10142	5.6
111.04409	5.9
115.05428	7.9
116.37300	1.5
117.03336	1.8
119.04899	2.0
119.08584	2.1
122.03590	1.9
122.62211	1.8
123.04441	2.6
125.05927	2.8
125.30494	1.9
131.04906	24.1
133.02844	3.0
133.06447	5.5
133.59955	1.7
134.03172	2.2
135.04396	100.0
136.04735	7.5
137.05957	29.2
143.04871	7.6
145.02832	2.9
145.10034	2.1
147.04327	7.5
148.04865	1.5
149.02324	21.2
149.03445	2.8
149.05948	3.0
150.02664	4.0
151.02670	3.4
151.03891	62.2
151.04977	3.3
152.04175	2.7
153.05406	2.0
159.04344	7.6
159.11703	1.9
160.05144	5.1
161.05960	16.7
163.03914	2.3
163.07558	1.9
164.04454	2.4
173.05922	3.0
175.03912	3.0
175.07523	27.5
176.04610	2.8
177.05574	7.6
179.07005	5.1
187.07596	2.0
189.05455	8.3
191.06982	7.3
193.05043	2.2
193.08557	7.8
201.05421	4.1
203.07019	8.3
205.04942	5.9
206.05359	9.2
217.04878	3.8
219.06448	3.8
221.08064	24.5
257.08023	8.4
263.07083	1.7
310.05069	1.8
335.08835	1.7
341.10123	8.1
371.11157	47.4
371.25531	2.3
372.11469	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.6
65.50970	0.5
69.03415	0.9
70.06577	2.2
70.30375	2.6
72.08141	0.6
73.04723	1.8
79.05486	0.9
81.03394	1.1
83.04945	0.9
84.08171	1.0
85.02884	1.8
87.61125	0.5
91.05798	9.7
95.01058	0.7
95.04959	6.1
97.02876	0.8
98.97570	0.6
99.04421	1.6
101.05989	0.6
105.07036	0.8
111.04426	0.7
115.43875	0.5
121.06493	0.7
123.08047	1.4
124.07577	0.5
127.03942	0.7
129.05537	0.5
135.07994	0.6
147.06482	1.1
148.00050	0.6
151.07547	1.0
153.09105	1.5
163.07254	1.1
167.06921	0.7
175.03792	0.6
185.04167	2.1
191.06772	8.7
197.40486	0.6
203.05237	29.1
204.05635	0.6
209.04379	0.7
209.15338	2.1
230.54672	0.5
231.04697	2.0
264.69315	0.5
268.97821	2.2
279.46259	0.5
285.00949	3.7
299.06128	0.5
300.09888	0.6
355.06802	2.5
371.13055	100.0
372.13419	5.8
373.08606	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	2.1
69.03407	1.0
70.06571	1.2
71.04987	0.5
71.69643	0.7
73.04740	1.8
79.05499	0.6
81.03411	0.7
84.04475	0.4
85.02877	1.2
86.09683	0.3
91.05790	8.5
91.89613	0.4
95.01067	1.1
95.04949	1.7
97.02864	0.9
97.99799	0.4
99.04420	0.9
101.06014	0.5
105.07045	0.5
109.02881	0.7
109.06512	0.5
111.04443	0.6
122.06059	0.6
123.08055	1.5
127.03866	0.6
129.05460	0.6
137.05917	0.7
147.06493	0.6
151.07526	1.3
151.32976	0.4
163.07289	1.5
163.08574	0.5
167.05582	0.5
167.06964	0.6
169.71736	0.4
185.04245	1.9
188.87300	0.4
191.06758	9.8
203.05234	25.5
204.05637	0.8
209.04381	0.6
209.15276	0.6
215.02322	0.5
231.04619	1.8
241.00082	2.0
244.08052	0.5
266.99777	0.7
268.97736	2.5
285.00897	3.6
303.01950	0.7
355.06845	2.3
356.06561	0.5
371.13058	100.0
372.13351	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	371.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01818	0.3
64.90646	0.3
65.14379	0.3
67.05490	0.6
69.03409	0.6
70.06557	0.4
70.30261	1.3
70.30644	0.6
73.04743	2.6
75.40118	0.3
79.05462	0.4
85.02885	0.8
85.03456	0.3
89.55116	0.3
91.05789	13.4
93.07031	0.4
94.46935	0.3
97.02836	0.4
105.06983	0.6
107.04935	0.5
109.67549	0.3
114.07361	1.0
117.70542	0.3
119.01930	0.8
125.27774	0.3
127.03885	0.5
127.29827	0.3
131.01875	0.4
131.04858	0.5
133.06483	1.6
136.07480	0.4
137.05971	0.4
149.05974	0.7
151.07523	1.3
159.84972	0.3
161.02992	1.7
167.05573	0.6
169.03419	0.3
191.06781	0.7
203.05266	4.5
221.05037	1.1
234.01094	0.4
237.02858	0.5
266.99710	0.6
268.97824	2.5
269.08575	0.7
283.03110	0.4
285.00885	5.4
299.06134	0.8
303.01923	1.3
355.06863	3.3
371.13080	100.0
372.13388	5.6
373.08218	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	5.6
55.05489	3.6
58.68172	1.2
63.23810	1.2
65.03923	5.8
66.92784	1.4
67.05486	5.7
68.99782	1.9
69.03408	1.7
69.07044	1.9
71.05000	1.2
73.50666	1.2
75.64572	1.2
79.05479	7.3
80.48976	1.2
81.03384	4.4
81.07026	4.3
83.08590	2.1
91.05466	5.1
93.07006	3.4
95.04971	3.9
95.08595	3.3
97.10172	1.5
103.05447	3.0
105.07001	2.8
107.04949	9.0
107.08609	2.6
109.06497	2.4
109.10124	2.4
111.04437	4.2
115.05445	5.5
117.07024	3.5
119.08577	2.7
121.10128	2.0
122.03609	3.1
123.04417	2.1
125.09666	1.6
128.06219	3.5
129.06987	13.8
131.04942	3.9
131.08560	7.0
133.02827	2.1
133.10146	2.6
135.04393	68.1
135.11700	2.3
136.04761	2.1
137.05957	48.9
139.03885	1.5
141.06960	1.3
143.04900	5.4
144.05692	2.9
145.06496	3.4
145.10167	1.6
147.04428	1.4
149.02324	100.0
149.05888	2.5
150.02631	2.0
151.03879	11.6
153.05452	1.3
156.05685	11.0
157.06458	12.4
159.04395	2.6
159.08011	10.6
160.05203	2.2
161.05997	2.5
163.03885	2.5
165.05467	1.5
167.06992	20.4
171.04385	3.6
172.05240	2.2
173.05980	5.5
173.11784	1.6
174.06772	2.0
175.03954	2.6
175.07507	8.8
177.05469	3.6
178.07822	1.6
179.07045	2.0
185.05984	1.9
186.06697	3.0
187.07520	16.7
189.05418	7.5
189.07062	3.2
189.09117	4.8
190.07787	2.9
191.08638	2.9
201.05431	18.7
202.06194	3.3
202.07837	1.8
203.06961	5.9
203.08630	3.9
204.07578	1.8
205.06483	3.5
205.08479	3.0
206.07275	2.0
207.08115	2.7
211.07434	2.1
215.08592	3.5
217.06512	2.7
217.08556	35.8
218.07271	5.2
219.06447	5.7
219.08130	4.0
219.10040	2.4
221.09628	4.0
223.07564	1.9
224.04745	2.4
224.08327	1.9
226.06189	3.6
227.07097	1.5
231.06252	2.0
231.08188	3.6
233.09651	7.3
234.06693	2.5
235.07471	6.8
237.05400	1.5
238.09901	1.8
239.07085	7.5
241.08549	10.1
242.05672	2.7
246.06956	2.9
247.07495	5.6
247.09679	15.2
248.08128	1.7
249.09096	11.2
250.06664	1.5
250.09619	2.7
251.07039	3.5
252.07773	4.8
255.06410	2.3
257.08102	3.1
259.07590	4.0
260.08386	2.9
261.09073	13.5
262.06265	2.6
262.09967	1.6
263.06924	8.0
265.08490	3.3
266.09448	1.3
269.08047	6.7
271.06033	3.8
275.07062	3.0
276.07501	1.5
277.08530	11.7
278.09222	6.6
279.06570	1.7
279.09692	1.8
280.07196	2.2
281.04391	2.4
281.11731	3.4
282.05194	3.8
283.08920	1.5
285.07520	23.1
285.10468	1.6
287.07068	2.0
289.08542	6.1
291.06595	1.5
291.10156	2.1
292.07312	2.0
292.10797	1.8
293.08054	5.5
293.11719	11.8
294.08722	3.5
295.09540	3.6
298.08185	2.9
300.09879	24.9
301.10645	13.9
305.08044	7.0
306.08844	4.2
307.09573	4.3
308.06961	1.9
309.11197	10.6
313.10529	4.5
315.33984	1.4
317.08038	3.2
321.11185	17.0
322.11823	2.2
323.09058	15.3
326.11417	7.7
327.11923	2.1
335.09036	8.7
338.11502	3.8
341.09995	2.5
341.13718	4.0
353.10016	11.0
353.13815	29.0
371.10941	6.7
371.14896	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	371.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01884	1.8
60.05639	1.6
65.03894	1.6
67.05506	2.6
69.03416	5.0
69.07041	1.5
69.54011	8.2
69.54448	5.5
70.06581	6.0
71.05015	2.4
79.05488	9.9
81.03400	3.5
81.07046	6.0
84.48329	1.3
85.02885	8.0
85.06526	5.5
91.05447	9.9
93.07043	1.9
94.04198	3.5
95.04978	3.0
95.08570	2.0
97.02884	4.1
98.82681	1.6
103.05476	3.5
105.07027	2.4
107.04942	21.8
107.08579	2.7
109.06503	4.8
111.04425	2.6
115.05426	5.5
116.06261	3.7
116.07044	2.2
117.06967	2.7
119.04956	1.5
121.06535	3.1
121.10149	3.0
122.03625	8.8
123.04448	3.8
124.05185	3.5
125.05910	1.6
127.03918	1.7
128.06203	5.1
129.06982	12.0
131.04884	4.3
131.08542	11.2
132.05667	1.8
133.02881	2.6
135.04393	6.1
137.05957	100.0
137.09564	2.5
138.06325	2.9
141.06978	5.3
143.04863	1.8
144.05676	10.7
145.06476	5.8
147.04404	2.0
149.02322	2.1
149.06009	3.0
149.09636	1.9
151.03889	11.8
151.07500	3.8
151.11139	7.8
152.04597	2.4
153.05429	2.5
156.05678	24.1
157.06441	6.5
158.07278	2.0
159.04396	2.2
159.08000	18.8
160.05215	3.2
161.05991	4.6
163.03859	3.4
165.12741	12.7
167.05568	2.4
167.07016	51.3
169.06491	4.3
172.05162	4.2
173.05962	3.7
174.06743	8.1
175.03932	4.5
175.07526	15.3
175.11870	2.9
177.05478	7.7
177.06760	1.7
177.09061	1.4
178.07733	3.8
179.06985	4.2
179.08444	2.4
181.06444	2.9
184.05141	3.7
185.05849	2.0
186.06767	3.3
187.07535	26.7
188.07985	2.0
189.07024	4.6
189.09117	9.2
190.07771	5.3
191.06978	2.7
191.08594	4.0
191.14256	2.8
193.08606	1.9
193.10114	2.1
196.05099	1.9
198.06686	2.6
199.07445	2.0
201.09015	1.9
202.06230	9.6
202.07787	3.1
203.06966	3.3
203.08589	7.5
205.06535	3.1
205.08554	5.3
205.10208	3.3
206.07259	5.4
207.08080	4.0
209.06128	2.3
209.15338	24.6
210.06630	1.8
211.07558	6.7
215.06926	5.6
215.08655	5.8
217.06558	4.0
217.08548	71.0
218.07234	12.2
218.08940	3.3
219.07986	5.9
219.10211	4.3
220.08815	2.9
221.09642	9.0
223.07535	4.3
224.04630	3.1
224.08218	2.7
225.05270	1.6
226.06290	5.1
227.06946	2.0
229.08620	1.8
231.08086	7.3
232.08720	4.8
233.05904	2.7
233.09605	16.8
234.06664	10.6
235.07474	11.5
237.05437	2.9
238.09813	3.7
239.06996	19.2
240.07700	2.1
241.08533	17.6
242.05714	6.2
243.08157	1.8
246.06769	7.9
247.07376	6.2
247.09613	34.9
248.08131	3.7
249.09096	20.8
250.06345	1.7
250.09747	4.6
251.07069	6.5
251.10732	2.9
252.07747	10.5
256.03604	3.4
257.08060	4.7
259.07425	1.9
260.08286	6.5
261.09097	30.1
262.06210	4.4
262.09680	4.1
263.07028	13.0
263.10376	3.7
264.07578	3.3
265.08536	4.7
266.09338	6.8
267.06812	1.6
267.09903	2.9
269.08072	8.0
270.05212	2.0
270.08707	2.4
271.05936	9.4
275.07025	3.6
275.10272	2.2
276.07709	1.9
277.08633	24.3
278.09250	19.3
279.06577	4.3
279.10059	4.1
280.07227	5.4
281.11713	8.9
283.09567	2.8
285.07526	54.3
286.08099	4.4
289.08505	11.4
290.09213	3.2
291.06757	2.1
291.10110	5.2
292.07532	2.0
292.10947	3.6
293.08160	5.7
293.11716	25.0
294.09036	3.0
294.12027	2.4
295.09668	6.1
298.08331	3.7
300.09897	61.7
301.10629	21.1
302.11081	1.8
306.08813	8.2
307.09592	8.3
308.06888	2.5
308.10226	1.8
309.11200	25.8
310.11533	2.9
311.09000	3.3
311.12848	2.4
313.10794	13.2
321.11154	41.7
322.11893	5.7
323.08981	7.2
326.11398	20.7
327.12265	3.8
336.09912	1.6
338.11398	7.6
339.12286	3.8
341.13702	15.4
343.15320	2.1
353.13800	57.6
354.14151	6.6
371.10876	4.5
371.14920	23.4
371.26505	21.8
372.15448	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08410	1.2
53.03935	2.4
55.01855	5.1
55.05482	2.2
62.96991	1.2
65.03917	4.6
65.71626	1.4
67.05477	4.2
68.99752	2.5
69.03416	1.8
69.99800	8.8
78.04685	3.6
79.05489	10.3
81.03396	2.7
81.07029	2.2
89.03909	3.4
91.05435	3.2
93.03356	4.7
94.62960	1.2
95.01329	1.5
95.04936	4.9
95.08584	1.5
97.19732	1.4
98.20757	2.3
100.11214	4.4
103.05443	3.5
105.03362	1.6
105.07034	7.2
106.04154	2.1
107.04931	13.4
107.08551	1.7
108.02101	1.9
109.02880	2.0
109.06464	1.7
111.04435	10.7
113.78470	1.4
115.05403	6.1
117.03333	3.0
117.07047	2.6
119.04890	3.9
119.08549	4.3
122.03559	1.7
123.04410	13.7
124.05151	4.3
125.05997	3.3
128.06239	3.1
129.07001	8.2
131.04935	6.6
131.08519	3.3
132.05670	3.3
133.06435	2.5
133.10089	1.9
135.04399	59.9
136.04745	1.8
137.05951	13.9
141.05469	5.3
143.04935	3.6
144.05704	1.7
145.02837	8.1
145.06477	2.7
147.04381	4.9
147.08018	4.6
149.02327	28.9
149.03435	1.5
151.03889	100.0
151.04962	6.1
152.04179	3.4
156.05663	2.0
159.04396	2.7
159.08012	5.7
160.05193	2.3
161.05925	12.2
163.03850	6.5
163.07509	3.9
167.07027	97.7
168.07353	1.5
172.05104	3.3
173.05959	4.8
175.03903	27.4
175.06151	2.2
175.07515	29.3
176.04276	1.3
177.05424	4.4
178.07661	1.8
179.06984	3.4
179.08539	1.8
181.05008	1.7
184.05157	1.6
187.07523	22.6
187.83990	1.6
189.05406	2.2
189.09113	1.6
190.07745	1.8
191.07016	8.3
191.08510	3.0
192.07671	2.0
199.07527	7.4
202.07782	2.3
203.08624	2.1
205.06488	1.9
207.08116	2.7
209.08044	1.7
215.08553	2.5
217.08572	3.8
218.07214	3.8
219.06363	11.5
220.08768	1.4
221.09561	4.5
231.07951	2.2
233.09500	4.9
234.06749	4.1
235.07378	2.7
242.67651	1.3
246.06749	1.7
247.07439	3.5
249.09026	5.6
251.06990	2.6
261.09042	4.2
263.06900	4.6
264.07504	1.7
265.08618	2.1
274.06140	1.4
275.06921	1.9
277.08591	4.1
278.09283	3.0
279.06448	2.1
281.11597	6.9
289.08502	3.9
293.11575	3.3
294.08780	1.6
295.09607	3.9
309.11258	9.5
321.11252	6.8
322.11905	2.5
326.11246	3.4
341.10059	14.6
341.13843	9.9
353.13742	5.2
362.26892	1.7
371.11145	68.5
371.14972	4.3
372.11597	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	371.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.6
55.01830	4.6
57.60557	1.7
65.03892	6.1
67.05477	3.0
68.99741	2.4
69.03396	1.7
70.06544	2.4
71.00038	4.8
71.04958	1.9
79.05437	6.7
81.03356	2.0
81.07022	1.8
89.03859	4.3
91.05435	7.6
93.03337	5.9
93.06974	2.2
94.04113	1.4
95.04900	6.2
103.05394	2.5
105.06958	3.9
107.04947	11.4
108.02010	3.4
109.02818	1.6
111.04436	9.8
115.05407	3.7
116.06213	1.7
117.03287	4.6
117.06966	2.1
119.04865	4.7
122.03578	3.8
123.04417	11.7
124.05161	2.4
125.05927	4.5
128.06158	3.9
129.07008	7.4
130.14917	1.4
131.04829	6.7
131.08455	4.3
132.05621	3.3
135.04398	66.9
137.05960	45.5
141.06912	2.1
143.04845	2.2
143.70239	1.4
144.05591	4.1
145.02809	8.4
145.06403	4.2
147.04294	6.8
147.07964	1.8
149.02327	30.4
149.03468	1.7
149.05887	2.3
151.03886	100.0
151.04977	7.2
151.07423	2.2
152.04205	3.1
156.05707	9.5
157.06375	5.1
158.07085	1.8
159.08028	9.4
160.05121	3.4
161.05862	6.5
163.03766	5.5
163.07408	1.9
167.07022	64.1
167.08401	2.1
173.05852	5.4
174.06682	3.8
175.03882	30.6
175.07521	16.6
177.05312	4.8
177.09015	1.6
178.07762	1.6
179.06953	3.3
181.04849	3.5
181.06233	1.5
184.05087	2.3
185.05899	2.3
187.07506	18.8
189.05321	4.0
189.06868	1.8
189.08972	6.1
190.07611	3.0
191.06837	5.7
191.08469	3.1
192.07681	2.0
194.07219	1.7
199.07378	4.4
201.05374	2.1
202.06042	4.2
202.07750	2.2
203.08461	3.7
205.06473	3.2
205.08437	3.2
206.07195	3.3
207.08046	2.9
209.15205	1.8
211.07410	3.2
215.08502	1.9
217.04778	2.1
217.08542	28.6
218.07080	6.3
219.06401	10.4
220.08751	1.8
221.09424	5.8
223.07394	2.0
224.59669	1.6
226.06131	2.9
231.07874	4.6
232.08777	2.0
233.05907	2.5
233.09615	7.7
234.06621	7.2
235.07574	7.9
236.08064	2.3
239.07021	8.3
241.08562	7.5
246.06577	3.5
247.07513	2.9
247.09502	9.6
248.08130	3.5
249.09152	9.4
250.09641	2.5
251.06856	3.9
251.10541	2.2
252.07651	4.6
257.07990	3.7
261.09027	8.6
262.06189	2.4
262.09723	3.4
263.06931	8.0
263.10434	1.5
264.07602	3.5
265.08441	4.1
266.09180	3.9
267.09537	1.7
269.07968	3.8
271.05853	2.0
275.06866	1.9
277.08487	8.8
278.09103	5.2
279.06372	3.5
279.09891	5.8
280.07162	3.6
281.11456	6.7
283.09406	2.2
285.07516	18.9
286.07996	2.5
289.08316	5.9
291.09784	2.2
293.08054	2.7
293.11380	9.7
294.08603	3.6
295.09418	4.6
299.08679	1.9
300.09824	21.8
301.10413	6.2
306.08563	4.6
307.09567	7.6
308.06421	2.2
309.11090	13.4
311.08862	3.1
313.10422	4.9
321.11176	14.9
322.11575	2.0
323.08994	3.8
325.10498	1.8
326.11307	9.4
338.11404	2.9
339.11945	7.0
341.09830	11.9
341.13635	10.5
353.13806	22.4
371.10916	60.7
371.14661	8.0
371.20462	1.8
372.11234	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01862	8.7
55.05495	3.8
57.03422	1.8
57.12763	1.5
59.14694	1.3
60.05622	2.1
65.03928	6.0
67.05499	5.8
68.99767	3.1
69.03419	7.6
69.07064	3.8
69.10687	1.7
69.39913	5.7
69.40340	13.1
70.06575	10.0
71.01327	2.2
71.04974	2.6
72.08125	2.7
73.04754	1.6
79.05489	10.0
81.03394	6.8
81.07043	9.6
81.41859	1.5
83.01272	1.5
83.04956	4.2
83.08621	2.3
85.02885	5.5
85.06523	6.2
86.09707	2.4
91.05457	6.6
91.05891	2.2
93.03416	3.9
93.07018	6.6
95.04952	7.0
95.08617	9.0
97.02875	4.4
97.06516	3.4
98.20573	2.9
99.04452	1.9
103.05439	5.0
105.07013	7.7
107.04924	7.8
107.08591	12.0
108.02071	2.9
109.02862	6.3
109.06507	4.6
109.10153	7.0
111.04420	11.1
115.05392	3.7
116.07074	1.8
117.03376	3.2
117.06999	2.8
119.04905	3.5
119.08578	4.8
121.06534	3.9
121.10122	11.1
122.03693	1.9
123.04433	8.4
123.08040	3.4
123.11649	2.1
124.05211	2.4
125.05962	3.5
125.09613	3.8
127.03910	2.3
128.06201	2.5
129.07002	3.8
131.04907	7.3
131.08548	5.7
132.05597	1.7
133.06496	2.8
133.10095	6.8
135.04401	56.3
135.08023	5.0
135.11671	3.1
136.04652	2.0
137.05962	23.7
137.09636	4.2
141.05469	4.1
141.07037	1.8
143.04919	1.9
145.02805	7.2
145.10114	2.5
147.04407	5.5
147.08180	2.0
149.02318	29.0
149.09573	4.4
149.13214	3.2
151.03893	100.0
151.04958	5.6
151.07516	2.6
151.11171	14.9
152.04274	3.7
153.05489	2.7
156.05685	6.5
157.06502	3.2
159.04424	2.7
159.08002	2.6
160.05183	2.2
161.05956	7.2
161.13205	1.7
163.03932	7.7
163.11110	2.2
163.14818	2.2
165.12770	2.8
167.07016	33.1
168.09438	1.8
173.05974	2.8
173.13182	4.0
175.03894	26.6
175.07555	8.8
176.04367	2.2
177.05458	3.8
179.07030	3.1
187.07515	6.4
189.05382	2.9
189.06956	2.0
189.09050	2.3
190.07680	2.7
191.06999	5.2
191.08568	4.5
191.14297	18.6
192.07806	3.6
193.08572	2.6
193.10312	2.0
202.06151	2.1
207.08070	4.0
208.08780	3.1
209.15387	11.5
217.08577	15.7
218.07274	5.6
219.06201	11.3
219.08121	7.0
221.06097	3.7
221.07990	2.5
223.11353	2.0
233.09648	4.1
234.06699	3.3
235.07564	5.2
236.08229	5.6
237.08963	2.2
239.07050	3.1
241.08617	2.1
246.06671	3.3
247.07471	5.1
248.08188	2.9
249.05313	3.5
249.09186	4.1
251.06937	2.3
251.10672	5.5
253.08644	3.1
258.22778	1.7
260.08316	2.5
261.09064	6.0
263.07056	5.9
264.07816	8.9
265.08612	4.0
277.08405	2.8
278.09183	3.5
279.07376	1.7
279.10062	11.6
281.07938	4.7
281.11618	2.2
285.00992	2.0
285.07513	5.5
291.06525	2.4
292.07120	2.4
293.08154	2.5
293.11603	2.6
295.09509	2.1
296.10403	3.6
300.09967	6.1
302.98270	2.0
307.09552	10.7
308.09836	1.6
309.11145	5.8
311.12732	5.9
317.09412	2.0
321.11111	5.9
322.11771	1.9
323.09024	2.5
325.10663	3.1
339.12390	13.7
341.10159	14.0
341.13846	4.3
343.11865	2.1
353.13800	7.5
371.11188	59.3
371.15784	16.9
371.21222	3.3
371.26270	11.3
372.11591	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	371.206
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03935	1.0
55.01854	1.8
55.05500	2.4
57.03425	2.7
57.07072	2.1
59.04987	0.6
61.02908	0.9
67.05495	3.1
69.03420	16.3
69.07065	3.8
70.06586	0.6
71.04982	1.3
71.70256	0.4
71.70728	0.7
73.02892	0.9
73.04761	0.7
79.05476	2.9
81.03422	2.2
81.07043	4.9
83.04504	0.8
83.04969	11.2
83.08580	1.4
84.08104	0.7
85.02901	7.5
85.06552	2.7
86.09669	1.2
87.04443	0.6
89.06001	1.8
91.05386	3.4
93.07031	4.2
95.04400	0.5
95.04955	6.4
95.08591	8.4
97.02865	3.0
97.06502	1.7
99.04464	2.4
99.08071	1.4
101.02354	0.6
105.07017	3.7
107.04959	1.1
107.08579	14.8
107.95536	0.4
109.02861	0.8
109.06500	8.2
109.10159	2.6
111.04456	0.5
111.08066	9.3
115.03852	0.5
116.06230	0.4
117.06993	1.0
119.08569	5.0
121.06487	2.6
121.10136	10.7
123.04293	0.6
123.08047	3.9
123.11686	2.7
125.09614	23.0
127.03904	3.9
128.06163	0.6
129.06970	0.8
131.08545	6.8
132.05788	0.4
133.06540	0.6
133.08592	0.7
133.10107	8.5
135.08031	20.9
135.11690	5.9
135.12669	0.7
136.06183	1.1
136.08682	0.7
137.05966	2.9
137.09592	1.7
139.11203	0.5
143.08513	1.5
144.09309	0.6
145.04880	0.8
145.10100	4.8
147.08051	0.5
147.11679	3.6
149.06058	0.4
149.09601	15.1
149.13226	4.7
150.10393	3.1
151.11192	2.1
153.09088	9.7
158.10864	4.5
159.08072	1.3
159.39525	0.4
161.09579	2.3
163.11162	7.4
163.14795	4.4
165.12682	2.6
167.05597	0.6
167.07025	2.0
167.10660	2.3
173.13242	21.8
174.13565	0.6
175.11116	0.5
176.11934	2.8
177.51071	0.5
187.07565	1.0
189.07104	0.5
189.09062	0.6
189.12645	0.6
191.14285	100.0
192.14622	4.4
209.15346	95.5
210.15733	3.4
217.08522	1.4
219.07986	0.6
221.09537	0.5
233.15422	0.4
247.09602	0.6
261.08957	0.5
278.09241	0.5
281.11783	0.5
285.00989	0.8
289.08527	0.7
301.10696	0.5
321.11014	0.6
326.11041	0.6
341.13605	0.5
353.14072	0.9
353.19620	4.1
355.07147	1.0
371.10907	2.1
371.16547	10.1
371.20642	18.8
372.20944	0.5
391.27725	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.206
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03923	2.1
55.01855	1.7
57.03420	4.2
57.07063	1.7
61.02905	4.0
66.25305	1.1
67.05488	2.2
69.03424	13.2
69.07040	2.3
69.35754	13.1
69.36088	2.8
71.04977	2.0
73.02921	1.7
79.05477	3.7
81.03390	7.2
81.07031	4.5
83.04993	2.7
85.02894	30.8
85.08171	1.0
88.70626	1.1
91.03927	1.8
91.05413	1.7
93.07040	2.0
95.04948	3.1
95.08601	4.1
97.02879	10.0
98.21441	2.5
99.04465	1.3
105.07020	4.0
107.08577	4.8
107.70387	1.1
109.02862	2.5
109.06477	5.6
109.10132	2.3
119.08556	2.4
121.10130	7.8
123.08063	4.7
123.11668	3.1
127.03903	6.6
133.10155	2.4
135.04437	2.5
135.08072	1.4
137.05937	2.2
137.09584	7.6
145.04939	9.7
147.11656	1.5
149.02376	1.2
149.09602	8.1
149.13251	3.7
151.03874	3.5
151.11157	29.4
153.05550	1.3
165.12744	40.4
167.07114	2.5
173.13283	2.5
175.03999	1.4
191.14238	5.4
193.15822	2.7
209.15343	100.0
210.15739	2.7
254.39806	1.1
261.65176	1.2
307.09634	1.2
309.06882	1.0
321.11044	1.2
371.11154	2.2
371.16495	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	371.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.4
55.01859	6.1
55.05501	16.9
57.03419	7.5
57.07056	4.4
59.04993	3.3
59.60765	1.8
61.02917	5.7
67.05496	6.7
69.03087	3.2
69.03420	34.5
69.07051	10.4
71.01337	3.0
71.04972	7.5
71.49564	2.6
73.02904	4.1
79.05465	11.2
81.03425	12.6
81.07042	18.5
83.04974	24.3
83.08607	22.8
85.02898	30.2
85.06526	2.8
87.04465	3.8
90.35409	2.0
91.03951	2.8
91.05469	8.7
93.07035	17.0
94.18949	1.7
95.04960	60.1
95.08586	7.9
97.02870	14.5
97.06519	5.1
99.04427	15.7
103.03932	4.6
105.07016	7.4
107.04934	3.4
107.08582	25.9
109.02885	8.9
109.06487	10.1
109.10159	12.9
109.36115	1.8
111.04456	2.5
111.08066	5.4
115.05445	2.0
117.07064	3.5
119.04884	2.0
119.08548	6.2
121.06503	4.6
121.10135	15.0
123.04441	2.5
123.08046	10.1
123.11675	4.6
125.05975	4.5
125.09622	5.5
125.13251	3.5
127.03915	13.2
131.08575	6.4
133.10080	9.1
135.08032	60.3
135.11725	4.0
137.05977	9.6
137.09602	2.2
139.11160	9.8
145.04951	6.3
145.10149	2.9
147.08043	3.3
147.11621	3.7
149.09596	3.6
149.13220	10.9
151.07533	10.9
151.11174	13.3
153.09073	20.2
159.08043	3.4
163.07585	2.5
163.11057	2.5
163.14819	3.9
167.07039	5.7
167.14293	20.0
169.12273	2.8
173.13286	7.0
179.55151	2.3
181.12241	14.6
191.10631	2.5
191.14299	14.6
207.13803	2.9
209.13396	3.2
209.15337	45.3
217.08556	6.3
227.16458	2.3
233.09474	2.3
233.15399	2.2
247.09721	2.2
255.01164	2.0
326.11563	2.5
353.13345	4.1
353.19449	2.8
371.16714	100.0
371.20761	10.3
372.16934	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	371.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.01852	1.9
55.05496	3.1
56.96550	1.1
57.03424	3.4
59.04992	1.2
60.60649	0.8
61.02908	3.3
63.19066	0.9
64.86932	0.9
65.03918	1.6
67.05489	3.0
69.03428	8.3
69.07043	1.7
70.06571	7.7
71.04977	7.5
71.70813	1.6
72.08112	2.1
73.02885	2.0
73.04736	2.9
79.05468	2.9
81.03393	4.3
81.07027	3.9
83.04974	6.3
83.06069	1.0
83.08618	1.7
84.04496	2.7
84.08122	6.0
85.02898	21.3
85.06510	1.9
86.09719	5.0
87.04449	1.8
91.05814	20.0
93.07025	4.7
95.04954	100.0
95.08580	3.2
96.05291	1.9
97.02872	8.3
97.06510	2.7
99.04444	23.5
101.05991	1.2
103.03936	2.3
105.07034	5.5
107.08563	6.0
108.61157	1.0
109.02861	4.3
109.06510	1.8
109.10155	3.0
111.04456	1.1
111.08049	1.6
114.07350	1.6
115.07559	1.7
116.07063	2.2
117.06981	1.0
119.08542	2.6
120.08074	1.1
121.06490	2.4
121.10122	7.3
127.03890	4.9
129.10196	3.3
130.04962	1.3
131.08540	3.0
133.10115	6.0
135.04384	1.7
135.08032	1.8
135.11685	1.9
136.07571	1.5
137.05962	2.0
137.09615	1.2
139.11159	1.9
145.04926	2.9
145.09990	1.2
147.06473	2.4
147.11577	2.0
149.05968	1.5
149.13208	1.7
151.00317	0.9
151.11124	2.4
153.05396	2.3
153.09085	35.9
161.05965	1.2
163.03859	2.0
163.14784	3.2
166.08606	1.4
167.07030	2.0
167.14359	1.6
168.06517	1.2
169.13507	1.1
170.09621	1.7
173.13240	8.3
187.10745	1.2
191.14294	6.1
192.68332	1.0
198.09100	3.1
209.04425	3.9
209.15332	26.8
210.11255	1.2
210.15683	1.6
217.08662	1.4
233.07948	1.0
237.02885	1.4
253.95505	1.1
268.97726	3.6
285.00961	7.8
299.06140	1.5
303.01929	2.8
317.54599	1.0
325.15314	1.2
353.14160	2.0
355.06985	5.3
356.06735	1.3
371.12341	2.0
371.16968	7.0
371.20602	2.1
372.16589	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2059
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03917	1.3
55.01861	1.0
55.05490	2.9
57.03410	2.2
57.07069	1.5
59.04989	0.8
61.02885	1.1
61.81124	1.0
62.03051	0.7
67.05485	4.1
69.03417	16.4
69.07045	4.3
71.04959	1.8
71.59246	0.9
76.69098	0.7
79.05478	3.3
81.03418	1.8
81.07059	6.5
82.04294	0.7
83.04969	8.8
83.08598	1.6
85.02900	7.4
85.06551	3.7
91.05398	3.6
93.07034	4.6
95.04952	2.4
95.08580	6.9
97.02861	3.2
97.06489	0.9
99.04440	1.2
99.08099	2.0
103.05447	1.2
105.07012	6.6
107.08573	16.5
109.02909	0.9
109.06500	7.6
109.10133	3.0
111.08063	8.7
115.05401	1.1
117.07024	1.7
119.08572	4.8
121.06448	2.1
121.10126	11.3
123.08086	4.2
123.11679	2.4
125.09611	26.5
127.03914	4.3
131.08539	7.3
133.06479	1.6
133.07526	1.0
133.10136	7.2
135.08035	22.8
135.11665	6.2
137.09605	1.0
143.08540	0.9
144.09258	0.9
145.10124	3.7
147.11656	2.9
149.09586	14.5
149.13235	4.5
150.10387	3.7
151.03841	0.8
151.11136	2.9
153.09096	8.6
158.10916	3.4
159.08022	0.9
161.05978	1.3
161.09607	1.9
163.03783	0.8
163.11180	8.8
163.14786	4.6
165.12714	2.1
167.07031	1.1
173.13226	19.9
176.11946	2.6
191.14278	99.7
192.14624	3.7
193.08566	2.3
206.67673	0.9
209.15337	100.0
210.15692	4.1
221.15590	1.0
239.19626	0.9
273.72925	0.8
275.16653	0.8
277.08490	1.0
293.04623	0.8
317.17490	0.9
353.19604	3.1
371.11475	1.3
371.16483	2.5
371.20627	19.8
372.20905	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2059
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
51.02359	0.8
51.49225	0.7
53.03941	5.1
55.01632	1.0
55.01865	13.4
55.05503	5.8
57.03195	0.8
57.03431	8.3
57.07053	1.1
59.04987	1.4
59.79218	0.7
61.02914	13.3
65.03918	1.7
67.05495	6.6
68.99776	0.9
69.03419	38.2
69.07052	13.1
71.04979	7.4
71.70943	0.9
73.02897	5.3
79.05486	7.8
81.02937	1.5
81.03403	27.5
81.07042	12.4
83.01318	1.6
83.04958	3.6
83.08616	3.8
85.02892	98.2
85.06513	1.7
86.03238	1.0
87.04446	7.0
91.03951	6.7
91.05439	8.0
93.03380	1.3
93.07027	8.9
94.04135	1.0
95.04949	23.3
95.08580	11.5
97.02875	33.5
97.06522	4.9
97.10175	1.0
99.04438	10.4
103.05442	3.1
105.06999	8.6
107.04949	4.4
107.08577	10.4
109.02867	13.0
109.06510	10.0
109.10119	4.3
110.10556	0.8
111.04395	4.1
111.08070	2.1
115.03896	1.4
115.05441	2.9
117.07025	1.7
119.04932	1.5
119.08563	7.8
121.06483	8.0
121.10115	6.7
122.03591	2.9
122.07275	5.5
123.04389	2.2
123.08047	21.8
123.11662	2.2
125.05935	1.1
125.09572	1.4
127.03893	26.4
128.06210	1.3
129.06989	2.2
131.04921	4.4
131.08563	4.1
132.05711	1.5
133.06441	2.5
133.10095	7.1
135.04385	18.5
135.08029	39.6
135.11656	6.2
136.04779	1.1
136.08376	1.6
137.05952	23.8
137.09586	1.9
137.13190	1.6
138.06317	1.0
139.07498	1.1
141.05522	1.2
141.06952	0.9
143.04892	2.2
143.08490	1.6
144.05737	0.9
145.02806	2.3
145.04935	42.2
145.10089	3.1
146.05191	0.9
147.04376	2.9
147.06532	1.1
147.07986	2.4
147.11642	7.5
148.08768	1.4
149.02316	13.2
149.03427	1.4
149.05989	1.5
149.09592	3.7
149.13239	3.1
151.03891	23.2
151.04961	1.5
152.04288	1.1
153.05495	2.1
155.08578	0.9
156.05591	1.1
156.09285	0.9
157.04979	1.6
157.06445	1.3
157.10085	1.6
159.04323	2.8
159.08017	1.6
159.11662	1.9
160.05127	1.6
161.05920	4.3
161.09602	1.5
161.13165	1.5
163.03865	1.7
163.05997	3.9
163.11177	1.8
163.14839	1.7
163.20967	0.8
165.05411	1.0
165.12730	64.1
166.13086	2.9
167.07028	9.6
171.06401	1.0
171.11568	1.1
173.05962	4.8
173.09523	1.2
173.13251	2.2
174.06339	0.7
175.03900	4.8
175.07480	3.9
175.11176	0.9
175.14816	3.5
176.11909	4.1
177.05434	3.4
177.12689	1.5
178.07770	0.9
179.07132	0.9
181.04979	1.5
183.11700	1.1
185.13329	1.2
187.07515	2.8
189.05409	2.3
189.07153	1.0
189.09093	1.1
191.06944	2.9
191.14278	100.0
192.07774	2.5
192.14581	4.0
193.15858	9.4
197.13290	1.1
199.14728	0.9
203.03249	0.8
203.06973	1.0
205.06624	0.8
207.13789	2.9
209.08176	0.9
209.15324	13.8
213.10364	0.8
217.04942	1.0
217.08578	2.6
219.06424	5.9
219.13715	1.1
221.08037	1.6
231.14038	1.0
235.07355	1.2
247.09579	1.1
249.08972	1.1
255.11333	1.9
257.08218	1.6
261.09067	1.7
263.06992	1.1
264.07660	1.1
265.04987	1.0
265.08496	1.1
269.08676	1.1
277.08765	1.4
278.09271	1.2
279.10159	0.9
281.11761	1.3
283.10608	2.5
285.07431	1.6
291.06552	1.0
293.11792	1.1
300.09900	1.7
301.10669	1.6
307.09717	0.9
309.11090	2.9
309.16861	2.6
311.09793	1.8
321.07684	1.0
321.11255	2.5
323.09048	1.0
327.18018	1.9
339.12103	1.0
341.10220	3.7
341.13882	1.2
343.12714	1.1
353.13757	3.0
371.11115	18.3
371.20599	43.2
371.25406	2.2
372.11694	2.9
372.20941	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	371.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.3
55.01861	1.0
55.05490	2.9
57.03410	2.2
57.07069	1.5
59.04989	0.8
61.02885	1.1
61.81124	1.0
62.03051	0.7
67.05485	4.1
69.03417	16.4
69.07045	4.3
71.04959	1.8
71.59246	0.9
76.69098	0.7
79.05478	3.3
81.03418	1.8
81.07059	6.5
82.04294	0.7
83.04969	8.8
83.08598	1.6
85.02900	7.4
85.06551	3.7
91.05398	3.6
93.07034	4.6
95.04952	2.4
95.08580	6.9
97.02861	3.2
97.06489	0.9
99.04440	1.2
99.08099	2.0
103.05447	1.2
105.07012	6.6
107.08573	16.5
109.02909	0.9
109.06500	7.6
109.10133	3.0
111.08063	8.7
115.05401	1.1
117.07024	1.7
119.08572	4.8
121.06448	2.1
121.10126	11.3
123.08086	4.2
123.11679	2.4
125.09611	26.5
127.03914	4.3
131.08539	7.3
133.06479	1.6
133.07526	1.0
133.10136	7.2
135.08035	22.8
135.11665	6.2
137.09605	1.0
143.08540	0.9
144.09258	0.9
145.10124	3.7
147.11656	2.9
149.09586	14.5
149.13235	4.5
150.10387	3.7
151.03841	0.8
151.11136	2.9
153.09096	8.6
158.10916	3.4
159.08022	0.9
161.05978	1.3
161.09607	1.9
163.03783	0.8
163.11180	8.8
163.14786	4.6
165.12714	2.1
167.07031	1.1
173.13226	19.9
176.11946	2.6
191.14278	99.7
192.14624	3.7
193.08566	2.3
206.67673	0.9
209.15337	100.0
210.15692	4.1
221.15590	1.0
239.19626	0.9
273.72925	0.8
275.16653	0.8
277.08490	1.0
293.04623	0.8
317.17490	0.9
353.19604	3.1
371.11475	1.3
371.16483	2.5
371.20627	19.8
372.20905	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77613	5.5
53.03926	7.0
55.01865	12.3
55.05503	13.3
57.03424	6.0
61.02904	5.8
62.77093	4.6
65.03927	9.2
67.05492	9.9
69.03410	17.9
69.07056	21.6
69.55021	51.7
70.06582	8.2
71.04975	12.6
79.05472	36.4
81.03402	14.7
81.07047	20.1
85.02898	44.2
85.06528	9.1
87.04469	5.6
91.05492	18.1
93.07042	30.3
94.04154	5.6
94.06458	5.2
95.04977	11.5
95.08591	17.7
97.02877	20.7
97.06518	11.4
100.48246	5.0
103.05438	6.7
105.07023	21.9
106.80508	5.8
107.04935	17.2
107.08582	100.0
109.02868	7.6
109.06505	15.9
109.10115	11.5
111.04427	8.5
119.08582	14.6
121.06450	6.2
121.10125	51.4
122.03551	6.0
123.04385	7.8
123.08074	7.4
127.03886	10.0
129.06970	10.3
131.04955	7.2
131.08562	16.3
133.10086	14.9
135.04385	52.1
135.08049	9.7
135.11679	19.7
137.05956	68.7
137.09593	7.6
141.06979	5.9
144.05734	6.6
145.04947	10.4
145.06346	6.2
146.79291	5.5
147.04475	6.8
147.11626	7.4
149.02321	29.0
149.09592	13.7
149.13174	8.5
151.03911	86.4
151.11200	25.1
153.05490	6.2
156.05658	11.8
157.06358	6.3
159.08054	10.8
160.05161	7.2
161.05986	10.2
161.13235	6.4
163.03894	6.7
163.07576	5.9
163.14856	35.3
165.12700	35.7
167.07047	39.8
173.13293	10.5
174.06812	6.2
175.03903	24.9
175.07510	12.0
177.05423	9.6
179.07039	8.0
179.14288	8.5
187.04031	7.1
187.07494	16.5
189.09120	11.4
191.06955	7.9
191.14278	50.5
192.07813	8.0
193.15884	6.3
209.11977	4.7
209.15352	77.4
217.08510	31.7
218.07298	6.5
219.06392	7.0
219.08310	7.1
233.09576	12.3
233.15434	6.9
234.06773	7.1
235.07536	9.1
239.07042	12.9
241.08627	12.1
246.06897	7.0
247.09674	15.5
249.09006	12.3
261.09076	18.6
263.06979	7.3
265.08551	7.1
277.08585	11.3
278.06116	6.5
278.09177	9.9
281.11694	6.6
285.07507	33.6
289.08542	6.3
293.11758	12.0
294.08801	8.0
295.09579	8.8
300.09958	39.5
301.10480	13.3
309.11188	10.7
321.11172	25.4
323.09470	8.0
326.11530	7.8
341.10126	13.9
341.13864	9.7
343.11719	7.4
353.13712	26.7
353.19351	10.0
371.11157	59.5
371.15506	18.9
371.26477	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	372.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01847	0.9
57.03417	1.3
58.59735	0.3
59.05005	0.4
59.46701	0.4
61.02919	2.3
62.06055	0.4
67.05479	0.4
68.10858	0.3
69.03419	6.2
70.06594	1.0
70.41086	0.8
70.41488	0.9
71.04958	1.2
72.04507	1.1
73.02898	1.1
73.04736	1.0
74.06062	0.7
79.05460	1.1
81.03408	2.7
84.04490	0.3
84.08106	0.4
85.02380	0.8
85.02892	15.7
86.09668	0.5
87.04459	1.1
91.03929	0.8
91.05388	1.4
91.05784	3.1
92.05697	0.5
93.07011	0.7
95.04931	0.5
95.24644	0.4
95.58372	0.4
97.02878	5.1
98.97573	0.7
99.04419	1.0
103.05441	3.0
105.07019	4.8
107.04932	1.6
109.02862	1.6
116.98635	0.5
117.05719	0.7
117.07004	1.5
118.06551	2.4
118.60766	0.4
119.07304	3.4
120.08103	4.9
121.06464	1.0
124.07552	0.7
127.03889	3.1
129.06961	3.4
130.06546	0.5
131.04918	2.1
131.07298	1.2
136.06161	0.7
144.08063	0.6
145.04921	2.4
146.09633	7.7
149.05954	3.0
149.24707	0.3
152.07053	0.7
164.10686	100.0
165.11050	2.9
167.05696	0.4
167.06972	2.1
168.07379	0.4
174.09155	0.7
192.10149	3.0
210.11221	90.0
211.11594	3.1
234.11076	0.6
268.97733	0.6
269.97818	1.2
286.00989	1.2
299.54343	0.4
320.52335	0.4
354.15659	0.5
356.06931	1.3
372.12909	1.5
372.17130	3.2
373.14902	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.0
55.01856	13.2
56.96552	13.3
57.03416	7.5
61.02910	21.1
67.05483	7.7
69.03078	7.5
69.03419	64.7
70.06557	5.8
71.70255	9.0
73.02894	24.6
77.87547	5.6
78.79870	4.9
79.05476	26.3
81.03412	49.1
81.07070	10.5
83.04955	26.5
85.02893	100.0
86.03176	5.5
87.04442	16.6
91.03931	15.8
91.05463	20.6
93.07012	9.2
95.04957	24.2
97.02879	51.6
98.97534	30.7
99.04413	10.8
101.00896	8.4
106.04129	5.7
107.04923	13.8
109.02840	13.4
110.97572	8.8
111.04421	20.3
116.98624	15.0
119.01891	32.4
120.02058	6.7
121.06438	33.3
123.04442	10.6
127.03912	32.7
128.98604	9.8
131.01877	22.5
134.99796	6.8
135.04384	13.6
137.05925	7.3
143.01819	31.8
145.03481	12.6
145.04936	23.0
146.99596	9.2
149.02943	5.4
149.05969	59.0
155.01863	15.5
157.03432	14.9
158.99628	16.3
161.02943	42.7
165.05424	8.5
167.07080	17.8
169.01822	6.8
169.03339	8.4
173.01514	5.2
173.02919	30.6
175.04503	6.1
176.06993	6.5
177.00681	13.8
177.50896	5.0
181.04941	10.1
185.02931	18.7
186.03055	5.9
187.04509	7.4
189.00728	9.1
191.03932	9.5
195.01468	6.0
197.03081	7.2
200.04440	8.6
201.00658	12.0
202.05226	7.7
203.03984	21.3
204.04173	6.7
211.02713	5.6
216.04230	6.0
219.01735	13.2
221.05008	8.5
223.06577	6.1
227.04210	6.8
232.03351	6.7
237.02852	15.5
241.03691	7.7
245.05045	28.8
246.05283	8.5
255.03978	11.6
257.05133	6.0
261.02676	8.7
263.05988	16.6
275.06232	8.4
279.03757	8.7
283.06915	9.2
284.08252	6.0
292.07990	7.9
367.95963	6.6
373.12631	97.9
374.11395	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	373.1276
Annotation	Glycosmisic Acid
Peak:m/z	Relative Intensity
50.75743	0.6
53.03930	1.3
55.01856	2.1
55.70679	0.6
62.18171	0.5
65.03919	2.5
67.05493	2.8
69.03400	1.9
69.07053	1.1
70.40822	1.9
71.04980	1.0
79.05486	2.7
81.03413	4.9
81.07050	2.4
83.04954	0.6
85.02899	1.6
86.88794	0.6
89.61214	0.5
91.05463	2.4
91.10339	0.5
93.03399	0.8
93.07024	1.3
95.04951	2.6
95.08598	1.4
97.06531	1.3
98.97569	2.1
103.05441	1.6
105.03359	0.6
105.07023	1.2
107.04934	1.2
107.08572	1.5
108.02105	3.0
109.02854	1.1
109.06529	0.8
109.10148	0.9
111.04430	2.9
115.05441	5.2
116.98607	1.6
117.06985	1.9
119.08566	2.1
119.92962	0.6
121.06459	0.6
122.03634	1.1
123.04386	1.4
123.11657	0.7
125.05991	1.0
128.06180	2.7
129.06984	8.0
131.04919	1.8
131.08534	0.9
133.10162	0.8
135.04398	36.2
135.11667	0.7
136.01544	0.7
136.04704	0.9
137.05957	20.3
137.07007	1.1
141.05438	4.1
143.04913	6.1
145.06476	2.8
145.10054	0.9
147.04466	0.9
147.08037	0.9
147.11703	0.9
149.02333	12.6
149.03423	1.2
149.05983	1.2
151.03888	100.0
151.04971	8.2
152.04240	2.0
153.05453	2.7
157.06473	10.1
157.10080	1.3
158.06801	1.0
158.99652	0.6
159.04405	1.7
159.11700	0.6
160.05138	1.5
161.05966	1.5
163.03889	1.1
163.07524	0.9
165.05457	1.8
167.07030	1.9
171.04433	2.8
171.11661	0.6
173.05943	2.8
175.07526	3.2
176.04742	1.0
177.00702	0.8
177.05389	1.0
179.08554	0.8
181.08490	0.6
181.10156	0.6
185.05995	0.9
185.13332	0.6
185.25240	0.6
187.03860	0.8
187.07529	8.8
187.14763	0.9
188.04652	1.0
189.05463	2.3
189.09106	0.8
191.06987	6.0
191.08507	1.1
201.05441	11.8
201.16394	0.8
203.06996	12.7
205.08543	2.0
207.08011	0.9
213.05441	1.0
218.07240	1.3
219.06458	2.4
219.08250	1.3
221.08064	3.8
223.07208	0.6
231.06537	2.1
233.08099	1.7
235.07556	0.8
236.08066	0.8
241.04956	0.7
246.06735	0.7
247.07578	2.5
247.91789	0.6
249.09036	1.4
251.10712	0.8
257.12277	0.8
259.07547	0.9
261.09073	0.6
263.06924	1.6
264.07870	0.8
265.08536	0.9
267.10434	1.2
275.06979	1.8
276.07770	1.1
277.08643	2.8
279.10123	1.3
282.08786	1.2
283.05963	1.8
284.06686	3.2
287.07056	1.1
292.07379	0.8
293.08081	1.6
295.09650	2.3
305.08078	1.7
307.09616	3.4
309.11060	2.8
310.08252	1.2
313.11511	0.7
319.09686	4.9
324.10104	0.7
325.10672	11.5
337.10703	7.5
343.11682	2.3
355.11694	9.4
373.13370	3.6
373.18140	1.1
373.29004	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1277
Annotation	8-Hydroxypluviatolide
Peak:m/z	Relative Intensity
53.03932	1.1
55.01868	5.6
55.05503	0.5
57.03415	1.1
65.03929	6.0
67.05508	4.2
67.47758	0.4
68.99774	1.5
69.03423	1.1
69.07051	1.0
70.06571	1.4
70.88922	0.9
70.89290	0.9
71.04971	0.7
72.08126	0.8
79.05486	1.6
81.03403	1.5
81.07031	2.2
83.06075	1.3
84.04498	1.8
84.08108	0.5
85.02900	1.6
85.06545	0.7
86.09692	9.5
89.03888	2.7
91.05441	3.0
93.03380	2.6
93.07032	1.4
93.64070	0.5
94.04169	1.8
95.04963	3.2
95.08598	1.6
97.02879	1.1
97.06541	1.0
97.07468	0.4
99.04425	0.7
103.05477	2.6
105.07001	1.2
107.04915	1.6
107.08579	0.8
108.02074	2.7
109.02845	1.5
109.06494	1.8
109.10130	1.2
110.03653	1.6
111.04426	9.5
111.08034	0.6
111.33617	0.4
115.05466	1.2
117.03365	6.2
117.06988	1.0
117.27140	0.5
119.04938	2.2
119.08540	1.5
121.02848	0.6
121.06461	0.6
121.10094	0.7
122.03636	5.6
123.04473	0.5
123.08050	0.9
125.05096	0.9
125.05970	8.3
125.09586	0.6
130.06468	1.2
131.04912	5.8
131.11784	1.2
132.10179	1.5
133.06516	1.2
133.10056	0.6
134.06007	0.5
135.04404	0.8
135.08005	0.9
137.05956	75.0
137.09605	1.7
138.06305	2.0
141.05423	4.6
143.04898	1.9
145.02823	17.5
145.03937	1.0
145.06482	0.7
146.03189	0.5
147.04399	3.1
147.08054	0.5
149.05957	3.8
151.03886	100.0
151.04958	7.5
152.04221	2.2
153.05443	11.2
154.05760	0.5
157.07613	1.5
159.04410	1.7
160.05199	1.1
161.05910	3.5
163.03842	0.5
163.07500	2.9
167.07063	1.2
173.05930	0.8
175.07509	3.2
176.04660	1.3
177.05447	26.2
178.05867	1.0
179.06950	2.4
181.56258	0.5
187.07462	0.7
191.06993	4.3
191.08493	0.5
193.04980	1.4
193.08589	0.9
193.12251	1.1
193.15898	0.6
196.14427	0.9
197.12828	1.3
201.05482	2.3
203.06969	1.5
204.06473	0.6
205.06644	0.6
205.08588	1.4
211.13107	0.6
211.16914	0.6
211.67178	0.5
219.06505	13.9
221.08025	4.0
222.06606	0.6
222.69052	0.6
225.12430	0.6
233.05971	0.5
234.06628	0.6
237.09137	1.3
239.06882	0.5
242.09264	0.5
242.14978	3.0
250.06229	0.5
259.09665	1.3
263.06744	0.5
265.08661	2.5
275.09198	0.5
293.08133	0.8
297.11285	2.0
305.07373	0.4
308.27145	0.4
325.10638	1.7
327.12225	1.0
337.10608	0.7
343.11688	15.3
344.12021	1.0
355.11771	0.9
373.12817	55.6
373.18231	7.2
374.12924	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
55.01869	3.8
60.54512	1.7
62.36278	1.8
62.88091	1.7
64.13846	1.7
67.05481	2.1
69.03421	5.0
69.97415	8.8
69.97832	3.0
70.06564	2.4
73.02911	3.0
73.04717	2.6
76.76636	2.0
79.05475	9.3
81.03400	8.5
83.04964	2.4
85.02892	5.9
86.09669	4.0
91.05386	5.7
91.05791	11.8
93.05472	3.8
93.07015	2.1
95.04968	5.1
97.02913	3.3
98.97620	2.0
103.05461	18.8
105.07004	6.3
106.04138	2.0
107.04942	100.0
109.02792	2.0
109.06496	2.2
113.07101	3.2
114.07420	1.9
115.05429	7.1
116.98601	2.7
117.07011	3.6
120.05730	4.8
121.06503	22.7
122.06857	1.6
123.04444	4.7
131.04897	12.0
135.07045	2.7
135.08037	33.5
137.05948	8.0
145.07576	3.0
149.05962	50.4
154.06218	2.0
163.07523	99.5
165.05411	2.3
167.05588	4.0
167.07014	66.7
195.10132	51.5
211.14429	7.3
261.22784	1.9
270.97626	5.4
285.00952	2.4
287.00690	5.5
357.06750	5.0
365.02759	3.1
373.15170	15.5
373.19339	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	373.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	16.0
55.05500	11.9
56.57841	1.7
57.03413	5.0
58.05089	1.7
58.47501	1.6
61.02910	5.2
65.03906	2.6
67.05493	23.7
69.03435	11.2
69.07049	6.1
69.94587	10.6
70.06577	5.4
71.04977	2.4
72.08126	2.1
75.46732	2.1
79.05475	6.3
81.03400	6.7
81.07047	15.2
83.04967	26.3
83.06062	10.6
83.08573	2.1
84.04502	9.6
84.08129	4.9
85.02896	30.2
85.06548	4.5
85.73433	1.6
86.09697	26.8
87.04422	1.9
91.05438	14.4
93.07037	10.1
95.04952	83.6
95.08589	14.2
97.02879	11.1
97.06487	4.3
99.04458	2.9
99.08062	5.8
103.05469	5.2
105.07014	5.9
107.04932	2.3
107.08588	9.5
109.02831	3.2
109.06512	7.7
109.10138	86.7
111.04375	3.0
115.05424	2.6
116.07057	2.8
117.03353	4.5
119.04890	2.5
119.08576	7.6
121.06466	4.2
121.10135	7.3
122.03591	4.2
123.08040	2.2
123.11687	6.1
124.07580	4.0
125.05980	2.0
125.09579	1.9
127.03858	8.1
129.06635	2.4
131.04909	7.6
132.09071	1.7
132.10152	9.0
133.06474	4.9
133.10095	7.5
135.08037	3.9
135.11670	5.5
137.05954	59.8
137.09589	86.8
141.05571	2.1
143.04967	2.6
145.02832	6.9
145.04897	2.4
149.05983	4.7
149.09660	2.5
151.03886	40.2
151.04970	3.4
153.05421	2.8
155.10632	19.8
159.04366	3.0
160.05194	4.1
161.05959	7.2
161.09605	4.4
163.07458	2.2
165.09190	1.8
165.16312	4.3
175.07541	11.4
175.14786	3.6
177.05403	8.8
179.06996	3.6
181.04941	2.0
191.07082	4.0
193.08583	4.8
193.15854	100.0
194.16267	2.0
196.14444	6.7
197.11476	2.5
197.13033	3.1
201.05379	9.0
211.13153	2.0
211.16885	30.5
212.12671	2.7
214.15463	3.4
214.21315	1.8
217.15878	3.2
219.06517	3.2
221.08049	13.4
224.13916	3.5
235.16800	2.8
242.15021	2.8
259.09576	1.9
263.12836	2.4
265.08652	1.9
279.58240	1.6
281.13931	2.3
293.08051	1.8
299.14810	2.0
319.18948	2.9
325.10678	3.2
337.20157	2.4
343.11755	4.1
351.07755	1.8
355.23233	3.4
373.12839	25.1
373.18228	37.8
373.22510	2.2
374.13126	2.8
374.18994	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.01865	3.7
55.05499	3.1
56.05022	2.2
57.03421	1.9
61.02922	2.4
65.03927	3.2
67.05481	1.7
68.99787	1.9
69.03419	14.6
69.07070	2.2
69.33490	1.5
70.06591	2.7
70.59372	5.0
71.04983	3.2
72.08142	12.3
73.02902	2.9
79.05489	1.7
81.03407	13.5
81.07047	2.7
84.04495	17.7
85.02895	34.0
86.09696	100.0
87.00816	12.6
91.05470	75.5
93.07021	2.7
95.08583	2.3
97.02889	12.3
99.04440	5.1
102.05527	7.4
105.01849	21.2
105.07009	2.9
109.02885	10.1
109.06494	1.8
111.04417	1.3
114.09174	4.7
120.06571	1.7
126.05539	1.6
127.03902	28.4
130.04979	2.1
131.04906	2.9
132.10191	19.4
133.02823	1.7
137.05963	15.9
142.08607	2.4
143.08708	1.6
145.04935	11.5
145.06555	2.6
147.02711	1.8
151.03897	23.0
151.05032	2.7
152.10722	2.0
153.15181	1.6
157.06461	2.4
159.02898	5.3
170.11781	2.4
172.81171	1.5
175.07550	3.2
177.09029	2.0
194.11804	3.5
197.12878	11.9
203.07025	3.3
212.12929	3.6
212.16458	2.1
215.13911	22.9
225.12390	5.6
231.04984	5.2
233.14961	6.7
243.13528	4.1
245.18669	2.4
356.21866	2.1
374.13370	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	374.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05473	0.3
65.03924	0.4
67.05473	0.3
69.03403	0.3
69.34903	0.2
70.06573	0.3
70.14776	1.6
79.05437	0.4
81.03381	0.6
81.07020	0.5
84.04465	0.7
85.02881	0.3
86.09691	2.6
90.76957	0.3
91.05445	0.8
91.57037	0.2
93.07029	0.5
95.04931	0.3
98.98440	2.3
102.05454	0.5
105.06993	0.5
109.10177	0.3
112.73748	0.3
118.05749	0.4
118.06522	4.3
118.31050	0.3
119.04930	0.3
123.04305	0.3
124.07543	0.3
124.99989	8.9
129.06987	0.5
131.04857	0.5
132.08038	0.9
132.10123	0.3
133.02779	0.3
133.08810	0.7
137.05937	2.1
144.08057	8.2
146.09581	1.2
151.03886	3.6
157.06367	0.3
158.09633	3.1
159.10349	1.2
160.11180	0.6
161.06000	0.3
162.09137	2.5
165.05350	0.6
167.07031	0.3
172.11176	2.4
175.07489	0.4
176.10788	1.8
176.14322	18.0
177.09125	0.4
177.11386	0.7
177.14696	0.6
187.04466	0.3
190.12222	1.2
198.58076	0.3
202.15881	39.1
203.06923	0.8
203.16232	2.1
207.06537	0.4
215.13878	0.6
220.16933	100.0
221.17258	5.0
243.13434	0.4
300.13522	9.3
341.59229	0.3
356.16541	0.6
374.17267	15.2
375.17627	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92810	2.8
53.03936	3.4
55.05500	4.4
56.05035	3.4
60.04499	4.6
67.05492	4.2
69.03410	6.5
69.07060	3.0
70.06586	9.8
71.69643	5.7
71.70005	3.7
72.08143	4.8
79.05481	10.2
81.03416	8.4
81.07055	6.2
84.04501	5.7
84.08134	14.2
85.02880	16.8
86.09689	21.8
91.05489	10.1
93.07029	12.1
95.04952	5.7
95.08626	7.4
96.08112	3.9
97.02931	6.6
98.97576	6.2
99.08090	4.4
105.07018	36.0
107.08594	10.6
109.02869	3.9
109.06500	6.7
111.08080	3.3
116.98578	4.5
123.08058	40.8
127.03909	6.7
129.10321	3.7
131.08534	3.6
133.06476	100.0
135.08023	6.8
136.07553	3.2
137.05946	13.1
145.02814	7.3
146.09619	4.5
148.11208	10.0
149.05896	5.2
149.09668	4.0
150.09135	6.8
151.03865	15.3
151.07535	41.5
152.04227	4.1
152.74738	3.3
162.07614	3.8
176.10643	16.4
177.05417	20.3
178.04929	6.1
181.04781	3.5
194.08115	3.2
194.11702	15.6
195.06520	11.0
212.12862	8.8
217.06052	6.2
245.09251	10.5
314.15002	5.6
374.14267	4.2
374.18536	35.6
375.15292	5.0
379.42883	3.2
382.62753	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	374.2282
Annotation	Ile Leu Glu
Peak:m/z	Relative Intensity
56.05017	0.3
63.30054	0.3
67.05510	0.4
69.03421	0.4
69.07052	0.9
70.06577	1.8
70.29397	1.3
71.99384	0.3
72.08128	0.6
79.05497	0.4
81.03403	0.8
81.07026	0.4
82.06577	0.4
83.04969	0.6
84.04490	3.6
84.08141	0.9
85.02884	1.8
85.41904	0.3
86.06065	0.4
86.09692	100.0
87.10011	0.6
91.05436	0.6
93.07005	0.8
95.08609	0.8
97.02873	0.8
98.21354	0.4
98.58686	0.3
102.05532	1.6
105.07015	0.9
107.08561	1.3
108.58127	0.3
109.02839	0.5
110.06015	0.4
119.08620	0.4
121.06551	0.4
124.07545	0.4
127.03901	0.5
129.10214	0.6
130.04973	2.7
135.11649	0.4
137.05977	0.5
140.72833	0.3
146.09604	0.4
148.04918	0.6
148.06032	8.1
151.07535	0.6
166.08577	0.5
177.05486	0.6
177.09067	0.4
194.11731	1.3
199.18025	33.0
200.18431	1.0
212.09140	0.5
212.12814	0.8
212.16428	0.9
227.17511	14.3
261.14423	7.1
374.18564	10.6
374.23059	0.7
375.13550	0.4
388.26993	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45034	10.7
53.03928	10.0
55.05487	40.9
61.78194	10.0
67.05493	100.0
69.07041	30.6
70.06562	60.8
71.04984	77.5
78.65444	12.7
79.05477	51.9
81.03390	13.0
81.07040	85.4
83.08610	16.3
91.05458	43.8
93.07042	52.4
94.30280	10.9
95.08584	52.8
97.10162	20.7
102.16133	10.9
105.07003	33.1
107.08595	70.6
108.02517	9.8
109.06444	12.0
109.10126	51.4
117.06987	10.6
119.08532	29.7
121.06421	11.3
121.10145	19.5
123.08094	13.2
125.09587	37.0
131.08513	18.7
133.10054	14.7
134.23526	11.8
135.08002	13.3
135.11630	25.1
141.62910	12.0
145.10051	17.6
147.11652	12.5
159.11639	31.3
166.52177	10.0
173.11694	86.6
177.12679	30.6
187.13261	34.4
203.12737	30.0
209.15402	16.6
241.17891	47.0
257.19016	12.2
275.19937	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	26.5
58.08492	7.9
67.05489	70.0
69.03413	9.9
69.07046	22.6
70.15655	34.3
70.16064	13.2
71.04983	100.0
71.19769	8.5
79.05472	38.6
81.07043	60.2
83.04946	11.9
83.08604	15.4
85.06513	10.4
91.05457	36.3
93.07043	48.2
95.08590	42.9
97.06495	21.4
97.07108	9.0
97.10149	26.5
105.06994	25.2
107.08577	58.3
109.10124	34.2
117.07005	15.6
118.91241	8.8
119.08546	26.8
121.10152	10.0
123.08098	10.4
125.09631	18.5
131.08514	20.8
133.10118	25.1
135.11664	25.0
145.10123	16.8
149.13197	18.6
159.11665	45.9
173.11691	32.0
177.12743	53.1
187.13190	23.8
203.12737	19.1
209.15382	11.7
241.17914	85.7
257.19101	9.1
275.19965	51.8
278.75967	8.7
289.21323	12.4
375.25296	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	374.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	0.3
57.07065	7.8
57.96620	0.2
58.06585	2.0
60.50388	0.3
70.06583	16.8
70.40311	0.2
71.08616	3.6
72.08107	0.9
83.08632	0.3
84.08121	0.4
85.10157	1.4
86.09660	0.4
88.07615	23.2
89.07939	0.4
102.09159	14.4
120.73409	0.3
132.10147	0.9
133.10103	0.3
146.11700	0.9
150.11192	0.4
268.29977	0.7
286.31064	0.4
294.31589	0.4
312.32547	40.8
313.32935	1.5
356.35211	2.7
374.36221	100.0
375.36548	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	375.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01863	0.7
55.13681	0.2
57.03419	0.5
61.02918	0.3
65.00813	0.2
68.99754	0.2
69.03415	2.3
69.16187	0.2
70.66427	0.5
71.04975	0.3
73.02901	0.5
81.03407	3.2
84.08124	0.3
85.02897	4.1
86.09698	0.8
87.00823	2.0
87.04502	0.2
97.02872	1.4
99.04446	1.1
105.01842	0.7
107.08577	0.2
109.02870	3.1
117.01847	0.5
127.03899	100.0
128.04259	1.3
131.75174	0.2
137.05951	0.2
145.04927	1.0
159.02892	1.4
206.17432	0.2
213.11217	0.6
358.71790	0.2
375.12491	0.5
375.16656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.107
Annotation	5,7-Dihydroxy-3,3',4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
50.53631	0.4
55.05496	1.1
57.03414	0.7
64.09244	0.4
67.05499	2.3
69.07027	0.7
70.24268	2.0
79.05486	4.0
81.03401	0.5
81.07043	3.8
83.04957	0.5
83.06060	0.7
83.08629	0.8
85.02904	0.8
91.05474	3.0
93.07027	4.7
95.04942	1.2
95.06044	0.9
95.08587	5.3
95.48837	0.4
96.08911	1.7
97.06512	0.7
105.07004	3.0
107.08611	2.5
109.02828	0.5
109.06476	0.6
109.10133	1.6
110.07150	12.8
111.06815	0.7
111.07474	3.8
112.99998	12.9
117.06988	0.7
119.08552	1.7
121.10118	1.3
123.08067	0.9
127.03960	0.5
129.06943	1.2
131.08557	1.0
133.10077	0.9
135.08009	0.7
135.11650	1.9
136.12016	1.1
143.08522	0.8
145.10110	1.2
147.11656	2.0
147.15277	0.4
151.11179	0.5
153.01797	1.5
156.07669	15.2
157.08060	5.5
157.09978	0.5
159.11708	0.7
161.13243	1.8
163.03818	0.5
166.08676	0.5
169.02588	10.7
171.11714	2.2
172.04030	0.5
173.13283	0.9
187.14908	0.5
189.12694	2.7
191.17915	0.7
192.18311	1.1
207.13748	1.5
229.04959	0.9
242.05765	3.4
253.04901	1.3
255.06490	18.2
256.07169	6.0
257.07449	0.4
258.05157	4.8
259.05786	0.8
269.04498	0.8
270.05179	10.3
271.05728	1.6
273.03772	2.1
283.06104	2.1
284.06732	6.3
285.03955	0.9
286.04675	2.4
287.05453	8.4
288.05899	0.7
299.05447	15.5
300.05890	0.8
301.03378	3.6
301.06705	0.7
301.12061	0.5
302.04208	3.0
311.05463	3.7
312.06165	1.3
313.03375	1.9
315.04941	46.0
316.05579	7.8
329.06506	10.5
330.07043	1.7
331.08081	34.1
332.08453	1.5
375.10706	100.0
375.24591	13.5
375.29736	0.9
376.11035	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	375.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98036	0.6
53.03934	1.4
55.01853	2.6
57.03417	0.9
62.75925	0.6
65.03922	2.4
67.05502	3.9
69.03404	1.7
70.06579	1.0
71.04980	1.1
72.08117	1.4
79.05490	1.2
81.03408	10.1
81.07037	2.4
82.86431	0.6
83.08570	0.6
84.04491	1.3
85.02895	3.3
85.06525	0.6
86.03233	0.8
86.09688	2.7
87.00815	1.0
87.10011	0.6
91.05457	5.4
92.05785	1.6
93.03376	0.9
93.07038	1.5
94.04169	0.9
95.04956	2.0
96.08128	0.7
97.02853	1.6
99.04385	0.7
105.01850	1.2
107.02729	0.6
107.04918	1.5
107.08605	0.6
108.02071	1.8
108.08086	0.7
109.02854	1.9
109.06495	2.2
110.09665	0.8
111.04420	2.7
115.05412	3.4
117.07059	1.2
119.08550	0.8
119.58887	0.6
120.04480	1.0
120.08103	1.0
121.06484	0.7
121.10163	0.8
122.03634	3.4
125.06008	1.2
127.03896	1.7
128.06180	3.4
129.06999	8.9
131.04901	2.5
132.10201	1.1
133.06494	1.3
135.04324	0.6
136.07620	0.8
137.05951	48.4
138.06317	0.6
138.09096	1.6
141.05461	3.8
143.04906	3.1
144.05678	0.7
145.06453	2.1
147.04370	0.8
147.08046	1.8
148.03914	11.9
149.05963	1.1
151.03886	100.0
151.04974	8.2
152.04219	1.5
153.05450	2.9
153.09076	0.7
157.06461	9.6
157.07658	0.7
160.05168	2.0
160.35687	0.6
161.05980	2.7
161.09647	1.3
161.13171	0.7
162.05432	0.7
165.05435	1.8
166.04953	5.0
166.08661	1.7
171.04361	4.9
171.11809	0.6
172.03906	2.0
175.07489	4.0
176.04665	1.4
177.09065	0.7
181.04982	0.7
187.07564	1.8
188.04640	0.9
189.05435	0.9
189.09059	8.0
190.05014	1.7
191.07037	6.6
191.08557	1.1
203.06989	21.6
204.06531	1.2
205.08542	5.1
215.07007	1.5
216.14189	0.9
219.08110	1.8
221.08031	5.0
229.40561	0.7
233.08005	3.5
235.07469	1.5
243.06505	1.6
247.07602	1.7
251.10863	1.0
255.11272	1.7
261.09119	1.8
262.06256	0.7
263.07043	1.0
264.07718	0.9
271.06049	1.2
273.12247	1.2
278.09262	0.6
279.10339	1.6
283.10779	1.7
286.08282	4.2
289.08597	0.9
295.09662	1.6
297.11133	1.0
301.11795	9.3
306.08728	0.7
307.09470	3.5
309.11194	1.1
311.12732	0.9
312.10120	0.8
319.12827	0.7
321.11243	3.3
321.43304	0.6
327.12238	8.2
339.12250	5.1
343.12833	1.1
357.13342	5.9
375.14462	0.9
375.31830	0.8
383.63486	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1435
Annotation	Vladinol D
Peak:m/z	Relative Intensity
51.98036	0.6
53.03934	1.4
55.01853	2.6
57.03417	0.9
62.75925	0.6
65.03922	2.4
67.05502	3.9
69.03404	1.7
70.06579	1.0
71.04980	1.1
72.08117	1.4
79.05490	1.2
81.03408	10.1
81.07037	2.4
82.86431	0.6
83.08570	0.6
84.04491	1.3
85.02895	3.3
85.06525	0.6
86.03233	0.8
86.09688	2.7
87.00815	1.0
87.10011	0.6
91.05457	5.4
92.05785	1.6
93.03376	0.9
93.07038	1.5
94.04169	0.9
95.04956	2.0
96.08128	0.7
97.02853	1.6
99.04385	0.7
105.01850	1.2
107.02729	0.6
107.04918	1.5
107.08605	0.6
108.02071	1.8
108.08086	0.7
109.02854	1.9
109.06495	2.2
110.09665	0.8
111.04420	2.7
115.05412	3.4
117.07059	1.2
119.08550	0.8
119.58887	0.6
120.04480	1.0
120.08103	1.0
121.06484	0.7
121.10163	0.8
122.03634	3.4
125.06008	1.2
127.03896	1.7
128.06180	3.4
129.06999	8.9
131.04901	2.5
132.10201	1.1
133.06494	1.3
135.04324	0.6
136.07620	0.8
137.05951	48.4
138.06317	0.6
138.09096	1.6
141.05461	3.8
143.04906	3.1
144.05678	0.7
145.06453	2.1
147.04370	0.8
147.08046	1.8
148.03914	11.9
149.05963	1.1
151.03886	100.0
151.04974	8.2
152.04219	1.5
153.05450	2.9
153.09076	0.7
157.06461	9.6
157.07658	0.7
160.05168	2.0
160.35687	0.6
161.05980	2.7
161.09647	1.3
161.13171	0.7
162.05432	0.7
165.05435	1.8
166.04953	5.0
166.08661	1.7
171.04361	4.9
171.11809	0.6
172.03906	2.0
175.07489	4.0
176.04665	1.4
177.09065	0.7
181.04982	0.7
187.07564	1.8
188.04640	0.9
189.05435	0.9
189.09059	8.0
190.05014	1.7
191.07037	6.6
191.08557	1.1
203.06989	21.6
204.06531	1.2
205.08542	5.1
215.07007	1.5
216.14189	0.9
219.08110	1.8
221.08031	5.0
229.40561	0.7
233.08005	3.5
235.07469	1.5
243.06505	1.6
247.07602	1.7
251.10863	1.0
255.11272	1.7
261.09119	1.8
262.06256	0.7
263.07043	1.0
264.07718	0.9
271.06049	1.2
273.12247	1.2
278.09262	0.6
279.10339	1.6
283.10779	1.7
286.08282	4.2
289.08597	0.9
295.09662	1.6
297.11133	1.0
301.11795	9.3
306.08728	0.7
307.09470	3.5
309.11194	1.1
311.12732	0.9
312.10120	0.8
319.12827	0.7
321.11243	3.3
321.43304	0.6
327.12238	8.2
339.12250	5.1
343.12833	1.1
357.13342	5.9
375.14462	0.9
375.31830	0.8
383.63486	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01855	1.4
55.05505	6.3
57.03428	7.1
60.51262	0.5
65.03932	0.7
67.05494	14.4
69.03421	2.2
69.07050	4.1
71.04980	1.5
73.06547	1.1
77.03891	0.7
79.05484	21.9
79.87763	0.5
81.03415	3.0
81.06599	1.1
81.07041	12.5
83.04961	3.3
83.08607	2.5
85.02892	1.4
85.06527	2.0
91.05464	20.5
91.06035	1.1
93.07034	20.8
95.04962	6.5
95.08592	9.3
97.02866	0.5
97.06511	4.6
97.10150	1.3
98.98429	0.9
99.04420	0.6
103.05482	0.8
105.04547	0.6
105.07019	17.2
107.04865	1.2
107.08575	8.9
109.02853	1.2
109.06492	4.4
109.10144	1.8
111.04433	1.3
111.08041	1.4
112.99998	100.0
115.05379	0.6
117.07004	3.4
119.08563	10.1
121.06472	1.3
121.10144	4.2
122.09648	1.7
123.08036	4.7
125.09650	0.6
127.03868	0.9
128.06161	1.4
129.06984	9.9
131.01025	0.9
131.08557	3.6
133.06479	1.1
133.10094	6.1
135.08070	1.1
135.11699	1.3
137.05989	1.0
137.09589	0.9
141.06895	0.6
142.07692	0.7
143.08559	5.3
145.10110	6.6
146.85687	0.5
147.04420	0.6
147.08029	1.2
147.11665	14.0
149.09695	0.9
151.01529	0.6
155.00992	0.9
155.08476	0.9
156.09329	1.1
157.10100	2.1
159.11693	1.8
161.05887	0.7
161.09572	2.3
161.13239	11.5
163.11172	2.6
167.07013	1.4
169.02591	78.1
169.10112	1.3
171.10188	1.1
171.11661	20.5
172.03905	0.7
173.13289	2.3
175.14851	0.9
179.14268	4.4
181.10048	0.7
183.11650	1.3
185.13184	0.7
187.03650	0.7
187.11197	0.9
187.14813	1.7
189.12723	17.9
189.16325	0.7
195.11633	0.9
197.13251	0.9
199.14783	1.5
201.12700	0.8
201.16347	0.7
207.13763	10.5
209.13229	0.9
211.14661	0.8
213.16345	0.7
215.14435	0.5
221.13264	0.6
225.14780	4.7
301.11755	0.8
357.09174	0.9
357.16824	0.8
357.24368	0.9
375.10995	0.8
375.15338	2.5
375.25293	5.9
375.30316	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2007
Annotation	Dictamnoside N
Peak:m/z	Relative Intensity
53.03923	3.6
55.01850	6.3
55.05492	10.2
57.03417	2.8
61.02902	2.5
67.05488	7.3
69.03421	18.4
69.07062	3.0
71.04977	15.8
71.27869	4.5
79.05470	6.0
81.03398	10.2
81.07043	10.0
83.04955	3.1
83.08611	7.7
83.77317	1.8
85.02884	27.5
85.06499	3.0
87.04469	5.0
91.03949	2.3
91.05468	4.3
93.07033	6.9
95.04967	4.0
95.08595	4.9
97.02869	8.5
97.06520	27.0
97.10156	10.8
99.04430	4.5
99.08078	1.7
105.07040	4.7
107.08581	7.4
109.02893	4.4
109.06510	3.1
109.10152	4.3
117.06984	1.7
119.04867	1.5
121.06521	2.9
121.10139	3.1
125.09621	6.6
127.03903	6.2
131.08568	4.2
133.10071	3.5
135.07974	2.8
135.11746	3.6
137.05963	4.7
137.89589	1.8
145.04930	3.1
145.10086	1.5
149.05952	2.0
149.13206	2.2
151.03857	3.2
167.07021	3.3
177.12753	2.0
179.52188	1.5
189.11121	2.0
195.13736	16.3
213.14828	100.0
214.15179	3.7
237.14828	6.3
255.15955	1.8
321.16891	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2373
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03929	3.8
55.01868	6.1
55.05271	1.4
55.05503	16.7
57.03426	11.4
57.07049	3.8
59.04974	4.5
59.95003	1.2
61.02916	10.1
66.74479	1.1
67.05501	7.8
69.03421	32.4
69.07056	41.5
69.40532	1.9
69.40939	10.0
69.71235	1.2
71.04979	10.6
73.02898	4.9
79.05464	5.5
81.03407	14.3
81.06609	1.8
81.07044	25.7
81.47388	1.1
83.04971	10.3
83.08615	7.5
85.02895	73.8
85.06530	23.9
85.34846	1.2
87.04463	7.3
91.03962	5.5
91.05445	3.6
93.07033	12.6
95.08005	2.6
95.08593	42.3
97.02881	25.9
97.06506	5.1
97.10161	9.4
99.04418	3.9
99.08084	26.6
105.06990	2.3
105.09000	1.2
107.08572	25.0
109.02867	9.3
109.10130	16.9
111.08058	3.2
111.11684	5.8
113.09659	7.8
115.68993	1.4
117.81437	1.1
119.08536	3.1
121.06483	1.2
121.10136	34.0
122.10423	1.5
123.11678	9.5
125.09629	7.2
125.13255	1.9
127.03907	18.0
127.11109	1.4
135.11665	17.5
137.05914	2.6
137.13243	22.3
139.11177	8.9
145.04933	15.9
148.10576	1.2
149.13240	5.5
151.03889	2.4
151.14772	5.2
153.12743	12.4
159.11662	1.4
167.07106	1.4
177.16364	100.0
178.16724	3.7
195.17418	39.2
196.17755	1.7
198.91264	1.1
213.18469	43.2
214.18863	2.5
375.23715	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	377.1449
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03930	1.8
55.01848	1.3
57.03426	8.3
59.04996	0.8
60.81633	0.6
61.02903	4.1
69.03416	13.8
70.82295	1.8
70.82712	1.3
71.01329	3.5
71.04985	4.1
73.02885	2.1
75.04461	2.1
81.03417	4.4
99.04440	4.7
100.47691	0.7
111.51787	0.7
117.05490	1.2
145.07556	2.8
159.09142	0.9
170.07124	1.7
172.08667	34.9
174.10173	1.2
175.08556	0.9
190.09662	1.5
198.06606	6.1
200.08136	4.8
214.09798	1.1
216.07654	18.6
243.08734	73.2
244.07027	0.9
244.09183	1.8
257.10294	1.0
333.24234	0.8
359.13397	3.7
377.14493	100.0
378.14899	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	377.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.2
55.01868	3.4
55.05499	26.6
57.03423	10.6
57.07074	4.1
58.68338	3.1
65.03925	4.0
67.05501	33.5
69.03417	19.6
69.07062	28.9
69.57088	29.2
71.04995	15.8
74.81065	3.0
79.05470	28.5
81.03413	15.5
81.07042	83.4
83.04961	17.1
83.08613	19.6
85.02914	14.0
85.06522	12.1
85.13092	3.2
91.05468	44.9
93.07034	42.5
95.04976	11.9
95.08592	100.0
97.02892	9.0
97.06532	21.3
97.10162	11.3
98.21519	5.3
99.08063	10.2
100.11234	7.2
103.05473	4.5
105.07006	48.1
107.04923	4.4
107.08590	26.1
109.02888	11.8
109.06496	11.1
109.10149	22.6
111.04444	4.6
111.08088	6.0
113.09650	5.0
117.06988	10.4
119.05010	3.2
119.08557	53.7
120.50412	3.1
121.06509	10.2
121.10118	22.4
123.08092	12.1
125.09605	4.3
127.03887	6.9
127.07614	4.0
129.06990	9.8
130.06558	4.8
131.04909	5.8
131.08560	12.8
133.02821	5.5
133.10106	33.7
135.08067	7.8
135.11656	20.5
137.05994	3.7
137.09608	7.3
137.13234	20.8
140.19220	3.2
143.08549	12.3
145.06433	5.8
145.10110	21.7
147.04378	7.0
147.11659	6.7
149.09619	3.9
149.13293	4.6
155.08443	5.9
157.10117	11.8
159.08058	6.6
159.11705	14.5
161.06013	3.7
161.13240	75.2
167.47235	3.7
169.10115	7.2
171.11627	5.3
173.09636	5.6
173.11719	5.5
173.13167	7.6
176.14470	3.2
179.14293	78.0
183.11687	4.2
185.13127	4.2
187.07530	4.7
187.11244	3.8
187.14764	4.7
189.09065	4.3
195.11786	3.3
197.13702	3.9
197.15302	20.4
199.14745	6.6
211.14928	3.1
215.07028	10.5
233.11761	4.1
233.15349	4.2
261.77426	4.0
305.17545	3.3
323.18451	4.2
341.19385	4.8
377.15442	4.0
377.19754	7.7
377.23990	5.2
377.31873	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	377.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	17.0
55.05505	32.3
67.05494	67.6
69.03419	49.6
69.07050	38.4
71.04975	26.3
71.50645	24.4
72.55689	11.0
79.05469	40.5
81.03394	45.1
81.07050	99.7
83.04971	41.0
83.08581	23.1
85.02875	37.1
85.06557	19.2
91.05469	40.3
92.06025	12.8
93.07050	73.3
95.04945	37.2
95.08601	95.5
97.02863	29.4
97.06514	44.8
97.07117	12.8
103.05484	16.2
105.07018	100.0
107.04910	16.8
107.08559	48.0
107.69968	11.5
109.02856	44.2
109.06495	25.3
109.10119	33.4
117.07016	28.2
119.04926	13.4
119.08582	60.9
121.06482	29.5
121.10117	38.7
125.09576	12.8
129.06990	12.5
131.08534	50.3
133.06462	18.4
133.10098	47.3
135.08075	19.4
135.11647	26.3
137.05965	20.7
143.08513	22.8
145.10095	45.2
147.04424	56.4
147.07863	11.7
147.11722	18.5
151.07532	33.8
155.08476	16.5
157.10106	27.3
158.00731	12.6
159.11674	44.5
161.05946	17.6
161.13237	63.6
163.03888	14.5
169.10193	14.2
171.07970	16.8
173.11765	23.0
173.13211	24.3
179.14311	38.1
181.06288	12.9
183.11581	12.4
185.13220	16.2
197.15364	25.7
201.16389	16.9
215.07004	20.9
215.10599	14.8
305.17471	21.6
323.18600	31.3
326.97775	14.5
344.55273	12.3
377.31973	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04942	1.4
51.48573	1.2
55.05505	6.7
55.50991	1.2
57.07072	17.3
60.56160	1.1
61.97000	1.2
63.95269	1.1
66.20713	1.2
67.05491	5.8
68.50797	1.0
69.07062	100.0
69.80688	9.1
71.08604	1.5
72.97169	1.2
79.05477	5.4
81.07051	26.1
82.07327	1.1
83.08611	23.6
91.05469	2.6
93.07034	3.5
95.08601	6.6
97.10139	1.4
98.21519	2.1
105.07025	4.3
107.08578	3.9
109.10104	6.3
119.08534	3.1
121.10136	3.5
123.11694	2.3
125.13247	6.9
131.08554	2.9
132.16154	1.2
135.11745	1.3
143.08516	3.6
145.10117	2.3
153.07291	1.2
155.08531	4.7
157.10081	7.0
159.11668	2.5
169.10120	1.9
171.11642	2.3
180.35289	1.4
181.10066	1.6
183.11679	7.1
185.13205	1.8
195.11687	2.2
197.13245	1.9
199.14876	3.9
208.12639	1.3
209.13165	2.5
211.14774	5.3
213.16431	1.8
223.14821	2.8
225.16423	2.4
227.50626	1.4
237.16344	6.2
243.20836	1.2
251.17947	10.7
252.18533	6.8
253.19521	5.5
293.22668	8.4
307.24149	2.5
377.17450	3.3
377.31998	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86201	0.7
55.05504	6.1
57.07067	15.8
67.05496	6.6
69.07058	100.0
70.07386	1.5
70.30343	2.3
70.30761	1.1
71.08631	1.1
79.05490	3.1
81.07043	23.9
83.08607	25.2
91.05474	2.0
93.07036	3.3
95.08588	5.6
105.07045	3.2
107.08573	4.4
109.10139	5.6
117.06963	0.8
118.93545	0.7
119.08573	1.5
121.10143	2.8
121.10960	0.7
123.11692	2.7
125.13245	9.4
129.07007	1.5
131.08536	1.8
142.07764	1.7
143.08553	4.4
145.10126	2.1
147.11723	0.7
149.09485	0.7
155.08580	4.2
157.10104	8.1
159.11754	1.2
161.13271	0.9
167.08548	0.9
168.09315	0.9
169.10121	2.0
171.11652	2.1
173.13329	0.7
181.10043	1.2
183.11691	10.0
185.13223	1.7
195.11635	3.7
196.12386	0.9
197.13258	3.8
199.14801	4.5
201.16537	0.7
209.13237	2.1
211.14799	2.9
213.16350	2.8
223.14772	1.9
225.16309	3.4
237.16319	5.3
251.17931	13.8
252.18677	7.6
253.19522	7.9
283.24313	1.8
293.22546	7.3
297.25742	1.8
307.24173	3.5
377.27240	1.7
377.31976	27.9
378.32458	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04552	1.3
55.01861	4.2
57.03423	2.2
66.78029	1.2
67.05487	2.1
69.03400	2.9
69.07058	1.9
69.92177	1.4
70.06569	10.5
71.69379	1.7
72.08136	2.0
73.02901	1.7
79.05463	9.2
81.03393	3.7
81.07028	3.2
84.04516	2.4
84.08141	2.8
85.02883	7.9
85.92742	1.4
86.09689	5.8
88.39878	1.1
91.05457	13.3
92.57035	1.4
93.07033	8.9
95.04960	4.5
97.02878	2.9
97.06504	2.8
100.21956	1.6
105.07030	5.1
107.04969	1.6
107.08571	15.4
109.02838	2.0
109.06480	3.2
111.08054	3.1
115.05450	3.3
116.07061	1.9
117.06991	7.6
119.04968	6.3
119.08517	1.5
120.08107	1.9
121.06506	7.9
125.83516	1.5
127.03903	2.8
129.10239	1.2
135.08028	62.9
136.07506	2.2
136.08403	2.2
137.05913	2.0
139.07527	7.5
140.69093	1.3
145.06491	5.5
153.09081	2.9
157.37024	1.5
163.07515	91.3
164.07881	3.3
173.55049	1.4
180.10181	2.3
181.08566	100.0
198.11229	2.0
199.09668	6.8
204.08643	2.4
216.08771	9.9
240.08852	4.0
261.12759	2.4
286.09387	3.4
378.17462	3.2
378.21597	2.4
379.13510	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	379.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.8
55.01847	10.2
55.05504	24.4
56.96544	7.9
57.03438	18.4
59.05003	4.7
61.02925	5.7
65.03915	3.6
67.05494	22.1
69.03043	4.9
69.03419	73.9
69.07047	22.9
69.73681	24.3
71.01329	14.9
71.04671	3.7
71.04989	38.1
73.02896	16.5
75.04452	5.8
79.05479	18.6
81.03389	19.1
81.07051	33.2
83.04967	37.9
83.08616	5.5
85.02892	51.9
85.06522	8.9
87.04439	7.9
91.05466	29.5
93.07018	16.3
95.04956	45.1
95.08586	14.4
97.02888	5.7
97.06519	17.7
98.97536	5.7
99.04478	4.9
103.05405	5.0
105.07018	19.9
107.04912	8.9
107.08557	12.7
109.02841	12.5
109.06485	9.2
109.10137	8.6
111.04408	23.7
111.08059	4.9
113.05992	60.2
115.05437	6.2
115.07572	4.8
117.05426	4.0
117.06998	14.6
119.04897	8.3
119.08553	17.1
119.18142	4.0
121.06477	8.4
121.10105	9.4
123.04408	21.1
123.08067	5.4
127.03874	6.3
128.06200	8.9
129.05450	6.6
129.06964	14.8
131.04893	10.0
131.08543	19.5
133.06493	6.1
133.10078	12.8
133.84633	3.6
135.04396	7.8
135.08014	8.2
137.05952	65.7
141.06953	11.2
142.07747	7.9
143.08533	15.0
145.02782	6.3
145.06474	19.6
145.10062	16.8
147.04401	9.8
147.07988	9.0
147.11606	6.0
149.05960	22.0
151.03870	7.2
151.07466	4.7
153.05495	4.3
153.06967	10.1
154.07748	10.6
155.08559	19.2
156.09172	6.5
157.06505	6.8
157.10086	15.9
158.07213	4.7
159.06618	5.2
159.08026	11.6
159.11671	12.9
160.05118	5.1
161.05939	18.9
163.03865	26.5
163.07550	21.2
165.05475	48.9
165.06854	6.6
168.05708	6.3
169.06496	6.4
169.10107	16.8
171.08020	5.8
171.11702	8.9
173.05908	12.8
173.09535	7.9
174.06775	4.5
175.07503	15.4
175.11142	6.9
176.08241	4.5
177.05476	4.5
177.09090	10.1
177.12694	4.3
178.07703	5.2
179.06995	6.7
179.08536	7.8
181.04912	12.3
181.06395	5.5
181.10092	4.9
182.07260	7.6
183.07988	13.3
183.11626	6.6
185.05891	6.8
185.09592	17.4
186.06715	10.9
187.07521	18.5
187.11165	8.3
187.14792	5.1
189.09119	20.4
191.06966	14.7
193.08569	30.0
193.10101	6.6
195.08008	9.6
195.11763	4.3
197.05960	4.8
197.09592	18.2
198.06633	4.2
199.07510	15.8
199.11174	5.5
199.14819	8.2
201.09103	39.4
201.12750	4.1
201.16432	4.7
202.06255	4.4
203.06908	9.7
203.10655	17.7
204.07654	10.7
205.08560	3.9
205.12143	30.0
207.10127	13.6
209.09642	6.7
210.06709	5.2
211.07452	4.3
211.11208	5.5
212.08318	5.5
213.05450	5.2
213.09117	20.0
214.09660	4.4
215.10638	46.5
217.06216	10.2
217.08563	8.3
217.12163	13.6
217.15773	3.6
218.06770	3.6
219.10110	12.7
221.09700	5.7
221.11748	12.0
223.11176	6.3
225.09045	14.5
227.06984	4.2
227.10614	18.5
229.08487	6.0
229.12236	9.8
231.10088	31.4
233.11678	100.0
237.09123	4.6
239.10574	20.0
241.12209	11.9
243.10138	22.0
245.11707	10.9
249.11168	17.8
251.10457	5.8
251.12778	16.6
253.12164	8.2
255.10069	6.8
257.11703	24.2
259.13159	6.0
261.11160	10.7
265.12241	5.1
266.04636	4.0
269.11752	7.1
271.13208	7.3
273.02673	6.6
273.11072	10.5
275.12634	20.3
281.11731	10.3
285.11227	6.4
287.12802	8.2
299.12790	18.9
303.12262	4.3
317.13754	15.5
323.63022	3.7
325.09473	4.8
325.14270	6.8
343.15289	16.0
361.16229	14.6
379.17755	78.8
379.25208	4.7
379.29715	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	380.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	13.6
55.01851	11.9
55.05495	9.1
56.96558	44.6
57.03416	12.5
60.04506	5.1
61.02882	9.5
65.03911	5.8
67.05487	16.9
69.03420	58.5
69.70864	9.8
69.71288	23.6
70.06571	9.2
71.01337	6.0
71.04981	10.5
72.08121	6.2
73.02905	13.9
73.06550	4.4
79.05486	48.0
79.31190	4.8
81.03406	45.2
81.07043	47.0
82.06575	4.9
83.04968	18.7
84.04518	6.6
84.08126	6.8
84.96031	12.5
85.02892	85.0
85.06502	5.7
86.06051	6.1
86.09699	4.6
87.04440	10.6
91.05463	74.7
93.07055	9.5
95.04947	36.6
95.44495	4.0
97.02892	48.4
97.06500	6.9
98.97565	80.8
98.98154	7.8
99.04456	6.9
102.56577	4.0
103.05509	6.5
105.04521	5.0
105.07039	7.5
107.04935	21.8
109.02843	15.2
109.06521	47.4
110.97577	8.2
111.04430	20.0
116.98619	51.3
119.01882	8.8
119.04929	41.0
120.08041	4.4
121.01664	4.5
121.02885	7.6
121.06488	14.9
123.04415	68.5
127.03897	29.6
128.98595	24.8
131.00159	7.9
131.01884	4.6
132.10168	7.8
134.99641	28.2
135.04381	21.8
136.06158	15.4
137.05969	48.2
139.03889	6.2
143.00153	10.5
145.04913	14.9
146.99637	20.5
147.03291	6.6
147.04396	41.2
147.05531	7.6
149.01237	7.1
149.05971	26.5
151.07402	4.4
153.05440	10.5
155.04565	9.6
158.01118	5.5
158.99629	29.5
161.01242	12.3
161.02879	17.0
162.99115	5.2
163.02663	5.5
165.04236	3.8
165.05450	70.9
167.07016	10.8
170.99644	8.3
175.02699	10.2
177.00700	38.3
177.04272	8.3
181.05171	5.0
182.03249	5.5
182.08070	7.1
183.06493	100.0
189.00661	11.2
189.04424	7.1
195.05257	5.0
200.09140	13.0
201.00737	9.8
205.00328	4.9
219.01669	36.5
231.05310	5.1
233.06738	8.4
237.00592	8.0
237.02747	67.2
244.04271	8.2
248.11423	31.1
251.04430	9.1
255.03857	12.4
261.02713	7.8
279.03882	5.7
291.07590	18.1
293.10938	5.7
303.07117	5.2
303.77722	5.1
309.08636	36.0
317.12546	8.9
321.08481	14.7
339.09625	14.7
348.06763	6.6
380.13794	7.4
381.10568	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03913	1.5
66.87062	1.4
67.05503	7.2
68.26196	1.4
69.03403	1.9
70.94746	3.1
70.95062	1.3
78.13093	1.5
78.17948	1.1
81.03401	95.6
81.07015	3.5
85.02872	5.2
91.05450	2.8
94.04168	1.7
95.04954	34.3
97.02844	2.1
98.97556	1.9
105.03339	2.1
109.06506	8.0
111.04399	1.6
119.04934	2.7
123.04407	85.7
124.04723	1.7
127.03883	1.7
134.31036	1.4
137.05940	18.3
138.06355	1.3
165.05447	100.0
166.05762	3.7
175.04961	1.4
183.06499	32.4
184.06876	2.1
196.08577	1.3
201.11285	1.6
294.90189	1.3
309.09521	2.0
329.16742	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.1
67.05490	16.5
69.03429	13.9
70.06579	16.9
70.65012	21.8
71.04982	16.0
72.08146	12.7
72.24615	4.9
79.05476	19.4
81.03421	13.7
81.07054	10.3
81.56165	5.4
83.04931	5.6
84.04511	7.1
84.08144	12.0
85.02898	30.9
85.06525	6.6
86.06133	6.7
86.09697	7.0
87.04430	7.3
91.05468	11.8
93.07023	19.0
95.04924	11.4
95.08617	14.7
97.02876	13.4
97.06516	9.7
98.97569	7.3
99.04435	9.5
105.07005	17.6
107.08586	8.2
109.02805	5.9
109.06499	7.9
109.10126	21.0
113.06062	6.7
119.08597	30.7
121.06480	6.9
123.08066	44.8
137.09595	32.4
145.04924	8.1
147.04431	11.0
147.08031	11.2
151.07559	54.0
165.05493	8.1
165.09106	100.0
169.08646	7.8
183.10165	34.2
188.86568	5.8
201.11182	41.5
247.79396	6.0
304.69104	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	380.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.3
55.01865	5.8
57.03424	9.2
67.05486	10.8
69.03423	23.0
69.07042	8.1
69.98116	29.4
70.06590	12.5
71.04976	16.8
71.33906	6.4
72.08141	13.0
73.40355	4.8
75.01098	5.2
77.03926	5.1
79.05477	18.7
81.03396	15.5
81.07048	16.3
84.04483	8.8
85.02896	21.8
85.06522	15.6
86.09698	17.7
89.05937	5.7
91.05462	15.4
93.07027	34.7
95.04963	13.7
95.08587	17.7
97.02889	6.1
105.06998	17.0
107.08582	16.7
109.06451	6.2
109.10166	12.6
111.08050	22.0
119.08538	13.9
120.08086	19.1
121.10077	11.6
123.08031	13.5
127.03907	7.7
131.08522	8.6
131.58424	5.2
135.08031	6.7
135.11647	6.9
137.05992	6.6
137.09605	5.9
145.10062	5.7
147.11647	18.3
149.13150	7.6
153.12772	8.7
165.12758	15.8
181.05002	7.0
183.10168	6.2
183.13800	13.6
187.10785	5.8
211.08609	6.1
215.08144	15.7
239.08087	33.5
241.66855	4.8
243.07672	21.6
253.08499	7.2
257.09070	16.3
261.08740	6.7
267.07635	98.8
285.08640	71.3
289.08081	13.1
291.89520	6.3
295.07047	8.5
303.09689	7.3
308.11130	5.7
313.08081	64.3
321.10721	11.0
326.69403	5.8
331.09207	100.0
339.11780	13.7
363.11633	10.2
381.12936	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	381.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
62.13060	5.9
67.56133	6.0
70.20640	6.5
71.20849	17.5
76.69529	6.1
80.65630	7.1
82.62334	6.3
100.07272	6.2
202.88919	6.1
212.97037	6.6
270.14462	6.8
317.14532	7.0
381.07834	100.0
386.96344	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	381.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79253	0.2
53.03942	1.1
55.01862	0.8
55.05503	1.2
57.03429	1.3
59.05012	0.3
60.76421	0.2
63.02375	0.5
63.40826	0.2
65.03907	0.2
67.01857	0.6
67.05488	2.3
69.03418	3.7
69.07050	1.0
69.73931	0.2
71.04980	1.3
71.37047	0.3
72.83669	0.2
79.05481	2.1
81.03406	3.6
81.07049	2.9
83.04977	0.9
83.08611	0.6
85.02900	2.5
85.06543	0.5
85.68391	0.2
89.03900	7.3
89.04439	0.4
91.05461	2.9
93.07039	2.0
95.04927	1.2
95.08585	1.6
97.02877	2.9
97.06514	0.7
97.10175	0.6
99.04458	1.0
103.03937	0.4
103.05465	0.6
105.07017	2.1
106.04172	0.4
107.04948	0.8
107.08591	1.7
109.02868	3.5
109.06509	0.6
109.09490	0.2
109.10120	1.1
111.04439	0.3
111.08092	0.3
112.99998	0.5
115.05484	0.2
117.03361	21.5
117.07009	0.8
118.03680	0.2
119.04910	0.4
119.08547	1.7
120.54046	0.2
121.06488	1.0
121.10129	1.1
122.37500	0.2
123.08000	0.5
123.11700	0.4
125.09603	0.6
127.03906	1.9
129.06975	0.5
131.04939	0.4
131.08546	1.3
133.06364	0.2
133.10121	1.0
134.03604	1.4
135.04398	2.0
135.08032	0.7
135.11620	0.6
137.05936	0.5
137.09630	0.6
141.07034	0.2
142.07741	0.3
143.08469	0.5
145.02821	51.4
145.10080	1.0
146.03131	1.3
147.04372	0.3
147.08078	0.5
147.11681	0.6
149.05948	7.5
149.09567	0.4
149.13223	0.3
155.08636	0.3
157.10127	0.6
159.08038	0.3
159.11691	1.3
161.09624	0.3
161.13264	0.4
162.03081	0.4
163.03905	0.9
163.07529	0.2
171.11624	0.4
173.09613	0.4
173.13284	0.8
175.11140	0.3
177.05438	100.0
178.05782	2.1
186.05452	2.3
187.05927	0.5
187.14691	0.2
195.06541	0.7
201.16302	0.4
205.15825	0.2
219.13683	0.3
219.17354	0.3
229.12245	0.2
261.07599	0.6
269.17355	0.3
271.16910	0.3
275.20050	0.5
289.17911	1.1
321.09576	1.9
337.06760	0.3
363.21167	0.4
381.11859	2.5
381.22421	0.8
381.26959	0.4
381.31473	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
53.14356	0.9
55.01868	1.0
56.96297	1.4
56.96553	14.5
57.03419	1.9
59.56361	0.7
61.02906	2.2
69.03419	5.0
69.58155	5.2
69.58556	1.2
71.04979	1.7
73.02911	1.9
79.05469	1.9
81.03412	5.0
83.04953	2.1
84.08128	1.0
84.96021	2.6
85.02895	10.4
87.04449	1.4
91.03938	0.9
91.05444	1.5
95.04939	1.6
97.02883	6.6
98.21391	1.7
98.97565	49.0
99.04456	1.1
101.00286	0.7
101.00858	4.6
103.02460	1.6
107.04928	1.1
109.02873	1.4
109.06491	1.1
110.97547	6.7
111.04465	1.7
112.99104	5.9
113.00835	2.5
115.00690	1.3
115.02426	4.7
116.98600	20.4
119.01900	12.4
119.04926	0.8
120.02019	0.8
121.01651	1.5
123.04401	1.4
127.03868	2.1
128.98593	9.2
129.02199	5.2
129.03963	2.1
131.00137	8.5
131.01865	7.2
133.01805	4.2
133.03445	22.3
134.03593	1.1
134.99654	5.7
135.03101	1.0
135.04300	1.0
137.02939	1.8
141.02184	1.8
141.03990	0.9
143.00133	2.3
143.01846	6.4
145.01669	3.0
145.03453	5.3
145.04843	1.5
146.99666	5.1
147.01450	1.0
147.03273	10.4
147.05003	6.1
148.03748	0.9
149.01196	4.5
149.02985	1.3
149.05885	1.0
151.02753	0.9
151.04478	3.1
153.04025	1.1
155.01857	8.9
155.02866	1.2
156.02692	1.9
156.04968	0.8
157.01678	2.5
157.03404	6.1
158.99644	12.8
159.03281	9.3
159.05017	10.7
161.01210	2.8
161.02982	6.2
161.06593	1.0
163.02654	4.5
165.00746	1.3
165.04254	2.7
165.06042	1.8
167.06894	0.7
169.03406	1.4
170.99629	3.1
171.03284	3.5
171.05005	12.2
173.01207	3.0
173.02943	10.2
173.06554	1.2
174.03738	0.8
175.02760	3.3
175.04518	4.9
177.00681	12.5
177.04340	25.5
177.06055	6.9
179.01962	2.8
181.04961	1.8
183.03314	3.0
183.05029	6.7
185.02922	2.7
185.06615	3.1
187.02859	1.1
187.04541	2.5
189.00708	3.1
189.04315	5.4
189.06073	6.2
191.02197	3.6
191.06552	1.2
192.04512	1.1
193.03638	1.6
195.05363	12.1
195.07153	5.0
197.02960	5.6
197.06470	1.5
199.02612	1.2
199.04408	1.2
200.04393	1.7
200.06067	0.9
201.00629	1.9
201.04350	11.5
201.06082	3.7
203.02307	1.3
203.04004	2.8
203.07697	1.6
205.03799	3.4
205.05536	1.0
207.05190	2.4
211.04550	3.0
213.06105	2.0
215.07620	1.2
217.03769	1.4
219.01755	15.7
219.05307	8.1
219.07141	27.3
220.01947	0.8
220.07346	1.3
221.05026	14.2
223.04817	3.4
225.06120	3.6
231.04977	1.4
231.07130	23.8
232.07298	2.7
233.06776	1.1
233.08731	6.9
237.02777	30.9
237.08238	3.8
238.03104	1.2
238.08549	0.7
245.05048	16.7
245.08781	1.3
246.05284	2.4
247.04810	3.0
249.06291	0.9
251.04297	1.1
255.04138	1.7
255.07144	9.0
259.06619	2.1
261.02808	1.6
261.06189	3.2
261.08234	5.4
263.06168	1.2
265.05872	1.1
273.08282	8.3
275.04099	0.7
277.06012	2.1
279.03934	1.8
279.09500	3.6
290.53198	0.7
293.05231	0.8
293.66202	0.7
295.07010	6.1
303.09244	1.7
321.10660	100.0
322.10553	10.7
339.09341	33.7
340.10294	1.4
362.11487	1.7
365.07498	0.8
381.11597	13.9
382.11450	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.5
55.01848	1.0
55.05505	8.7
57.03427	10.5
57.07064	2.5
57.71764	0.9
58.98685	0.8
67.05499	24.0
69.03101	1.0
69.03423	6.7
69.07065	10.1
71.04987	4.5
71.71092	1.4
73.06538	1.4
78.22864	1.0
79.05487	15.1
81.03425	4.3
81.07046	34.5
83.04963	3.4
83.08614	5.6
84.50913	1.0
85.02884	3.0
85.06535	3.3
89.03911	9.7
91.05473	10.4
93.07034	24.8
95.04965	2.9
95.08596	11.6
97.02877	3.4
97.06502	5.1
97.10178	1.5
99.04401	1.3
99.08111	1.6
105.06995	4.5
107.08578	12.9
109.02858	2.9
109.06516	2.4
109.10167	2.9
111.08073	4.0
112.05518	0.9
113.00001	55.7
117.03367	23.0
117.04179	1.2
117.07000	3.7
119.08562	2.8
121.06490	2.2
121.10132	7.8
123.08059	1.1
123.11671	1.4
130.07736	0.9
131.08559	3.7
133.10110	4.4
134.03625	2.0
135.04416	2.1
135.08102	2.7
135.11707	5.4
143.08557	2.0
145.02827	54.8
145.10149	1.9
146.03127	1.6
147.11681	2.0
149.05962	9.2
149.09555	1.6
149.13232	18.0
153.09142	1.6
155.01024	1.0
157.10127	1.7
159.08081	1.5
159.11668	8.5
163.72699	1.0
169.02596	52.9
173.09590	1.3
173.13188	1.3
177.05449	100.0
177.12749	6.6
178.05806	3.4
184.08900	0.9
186.05461	2.3
187.03665	2.8
187.14919	1.1
195.13753	8.4
199.14818	1.3
213.14844	1.2
241.45470	0.9
251.16397	1.7
269.17447	45.0
270.17776	1.7
297.18793	1.1
321.09744	2.0
341.48392	1.1
363.15723	4.8
381.11874	2.0
381.24075	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	381.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	2.1
55.01854	2.9
55.05502	12.1
57.03427	16.0
57.07055	3.6
65.03938	1.7
67.05490	48.7
69.03413	2.5
69.07053	17.7
71.04980	5.1
71.71162	2.6
79.05022	2.0
79.05477	29.7
81.03400	3.8
81.07042	65.6
83.04964	9.1
83.08612	14.0
84.65782	1.4
85.06512	5.9
91.05450	15.3
93.07029	46.3
95.04958	8.9
95.08582	22.7
96.48533	1.6
97.06511	10.4
97.10154	2.8
99.08063	4.7
105.07014	12.1
105.43295	1.4
107.08577	26.9
109.06493	4.6
109.10125	4.2
111.08058	5.4
111.21828	1.5
112.99996	100.0
117.06998	7.0
119.08552	7.9
121.06490	4.3
121.10133	16.8
123.08032	3.1
123.11643	2.0
127.07497	1.4
131.08546	11.3
133.10103	9.3
135.08014	2.9
135.11630	8.1
143.08553	2.5
145.10072	5.3
147.07990	1.6
147.11717	3.6
149.12109	2.0
149.13246	31.7
149.14415	2.7
153.09181	1.9
155.01038	2.0
157.10086	3.9
159.08031	2.4
159.11626	15.7
161.09608	1.9
161.13203	1.4
169.02586	79.3
169.10042	1.8
173.09619	3.8
177.05498	2.9
177.12715	14.9
183.11647	1.8
187.03650	4.3
187.14853	1.9
195.13762	17.0
196.14035	1.3
201.12714	1.9
213.14830	2.7
269.17426	80.4
270.17667	2.0
289.18103	3.0
363.15497	6.7
363.26682	2.3
381.19876	2.6
381.23862	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	381.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.7
55.05500	13.5
57.03430	14.5
57.07057	4.0
65.03907	1.8
67.05497	39.6
69.03393	1.8
69.07062	20.8
69.56467	3.7
69.56885	12.1
71.04989	4.1
74.75862	1.9
79.05479	24.6
81.03412	2.6
81.07043	59.5
83.04963	6.0
83.08605	10.7
85.06553	3.3
91.05461	14.3
93.07033	35.9
95.04968	6.2
95.08574	17.9
97.06505	7.1
97.10173	3.0
99.08045	2.6
99.29160	1.6
105.07024	9.8
107.04935	2.7
107.08580	27.1
109.06500	2.4
109.10153	4.8
111.08074	6.9
111.75195	1.8
112.99998	100.0
117.07014	6.0
119.08544	4.7
121.10119	15.9
123.11704	2.8
131.01071	2.3
131.08528	9.6
133.10109	10.9
135.08075	2.2
135.11671	7.3
137.14613	1.8
145.10051	2.5
147.11684	4.3
149.13235	29.5
155.08405	2.1
159.11665	13.7
169.01138	3.9
169.02588	81.8
175.14778	2.5
177.05399	2.0
177.12700	10.3
187.03677	5.0
195.13748	14.4
251.16216	2.3
269.17438	80.7
270.17737	3.1
303.35413	1.7
315.17767	1.8
344.84967	1.8
363.15625	8.8
366.91895	1.9
381.07883	2.2
381.23749	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	381.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52509	0.9
52.70604	1.0
55.01864	1.9
55.05312	1.0
55.05509	10.7
57.03433	15.3
57.07055	2.4
63.70501	1.1
65.03914	1.0
67.05497	40.9
67.15894	1.1
68.28631	1.0
69.03420	2.1
69.07059	16.6
71.04979	4.3
71.71237	1.5
79.05483	24.7
81.03413	2.3
81.07043	58.0
83.04946	6.0
83.08604	11.0
85.06511	3.4
87.23824	1.0
91.05472	15.3
93.07033	40.7
95.04974	5.1
95.08589	15.5
97.06510	9.4
99.08090	2.8
105.07042	7.9
107.04921	1.5
107.08580	25.0
109.06503	2.3
109.10143	4.8
110.13018	1.2
111.08064	4.6
113.00000	100.0
117.06998	7.6
119.08562	4.4
121.10147	16.1
123.11681	2.3
123.72994	1.0
126.36131	1.2
129.06923	1.9
131.08537	7.2
133.10085	8.5
135.08029	2.9
135.11696	7.0
139.07645	1.1
139.11148	1.6
145.10072	2.0
147.11700	2.1
149.09549	1.2
149.13240	29.6
151.11122	1.2
155.08594	1.1
157.10138	1.3
159.11664	16.9
161.13228	1.8
169.02592	88.2
177.12738	13.7
187.03645	6.4
195.13741	15.1
213.14780	2.6
251.16385	1.9
269.17450	74.4
270.17889	2.1
289.18021	1.7
363.15643	7.9
363.23117	1.5
381.24112	3.1
381.32043	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.9
55.01853	5.9
55.05495	11.9
56.96575	3.3
57.03429	15.7
59.65928	2.8
61.02908	11.2
65.03945	3.4
67.05497	28.3
69.03418	50.6
69.07059	19.3
71.04976	12.4
71.70216	5.3
73.02892	7.5
79.05487	34.9
81.03408	27.0
81.07042	100.0
83.04971	12.1
83.08604	9.5
85.02892	68.0
85.06521	11.6
87.04449	5.3
91.03958	5.2
91.05453	44.5
93.07030	62.0
95.04952	13.4
95.08591	61.8
97.02866	27.8
97.06509	9.2
99.04407	8.6
103.03869	4.2
105.07011	91.2
107.04935	9.0
107.08574	83.0
109.02847	10.9
109.06502	11.7
109.10152	37.3
111.04471	4.5
111.08067	9.1
115.03941	4.5
115.05436	5.1
116.06178	3.7
117.06976	23.2
119.04951	4.8
119.08559	57.1
121.06484	16.2
121.10130	61.9
123.04443	4.4
123.08056	9.8
123.11673	8.3
125.06015	4.8
125.09624	4.3
127.03895	15.1
129.06990	11.6
130.07744	8.3
131.08553	39.9
133.06461	5.3
133.10109	39.4
135.08038	10.6
135.11673	13.0
137.05975	9.9
137.09593	4.7
142.07715	3.9
143.08559	14.7
144.09299	8.5
145.04958	9.0
145.06418	7.2
145.10098	81.6
146.10849	4.8
147.08063	4.2
147.11676	17.7
149.09608	8.6
149.13237	5.8
155.08476	6.7
157.10129	18.9
159.08040	7.8
159.11670	72.0
161.09573	6.4
161.13257	39.4
163.03835	6.9
163.11157	7.8
163.14822	6.8
166.08624	4.3
167.08569	3.7
169.10040	3.7
171.11659	9.7
173.05937	4.5
173.09566	3.8
173.13245	28.9
175.07484	7.1
175.11131	3.6
175.14742	9.2
176.07066	3.9
177.05489	9.0
177.12767	4.2
183.11678	5.8
185.13211	7.3
187.07573	4.0
189.16391	6.0
191.06952	3.6
191.14244	4.2
191.17912	3.9
193.09949	4.4
197.13454	3.8
199.14848	9.0
201.09166	4.2
201.12697	6.6
201.16362	68.5
202.16768	3.3
203.14392	3.4
203.17871	7.7
211.14709	3.9
217.15984	4.9
219.06511	10.1
219.13881	4.9
219.17422	39.7
222.07611	6.4
227.07047	4.0
273.49057	3.3
335.15741	4.3
345.20578	6.8
363.21811	7.1
381.09457	6.9
381.16428	8.4
381.22992	10.0
395.48819	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	381.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.9
55.01857	4.1
55.05497	11.2
57.03418	9.4
57.07041	3.9
57.97377	2.4
61.02912	9.0
61.70153	2.5
65.03902	3.4
67.05500	21.2
67.69299	2.6
69.03419	42.0
69.07048	11.8
69.75398	6.7
69.75811	14.6
71.04981	10.3
73.02908	5.9
79.05483	24.1
79.29108	2.5
81.03394	19.2
81.07047	45.2
83.04967	5.1
83.08604	3.8
85.02896	62.1
85.06526	9.6
87.04459	4.9
89.03964	2.7
91.03928	3.6
91.05465	31.3
92.46661	2.8
93.07021	43.8
95.04980	13.9
95.08598	39.0
97.02898	25.2
97.06507	8.4
99.04445	10.5
103.05429	2.8
105.07014	100.0
107.08569	47.9
109.02879	9.6
109.06505	9.0
109.10130	25.2
111.04381	4.5
111.08071	6.0
112.59349	2.4
115.03922	3.7
117.06971	17.7
119.08558	42.7
121.06466	7.6
121.10130	33.3
123.08044	7.8
123.11676	2.8
125.06038	2.5
125.09611	5.0
127.03904	17.6
129.06985	7.2
129.13112	2.5
130.07771	5.4
131.07623	4.1
131.08559	31.5
133.06456	4.0
133.10094	27.5
135.08076	5.8
135.11678	8.2
135.42361	2.5
137.05925	6.1
137.09665	4.2
141.06978	2.8
142.07751	4.7
143.08545	13.5
144.09341	6.7
145.04950	8.9
145.06409	4.0
145.10106	59.2
145.11227	5.2
147.04424	3.5
147.08035	3.6
147.11646	22.8
149.09593	5.1
149.13260	5.9
151.07526	4.0
155.08507	2.7
157.10092	12.8
158.10936	5.2
159.08055	5.6
159.11668	65.3
161.09613	4.3
161.13229	27.9
163.11160	4.3
169.10086	4.1
171.08038	2.9
171.11687	8.3
173.09581	5.8
173.13226	20.9
175.11069	3.5
185.13266	4.6
187.14816	4.3
191.17966	5.0
197.13300	3.0
199.14813	5.3
201.12752	5.5
201.16356	62.2
203.07072	2.9
203.17952	7.6
211.15031	3.1
213.16423	5.4
219.13828	5.8
219.17390	27.4
225.16223	3.4
249.16016	4.5
279.12134	2.6
345.20551	8.6
363.21863	4.2
381.13300	5.0
381.18481	5.1
381.23087	14.7
381.26910	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	382.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43977	1.3
66.74939	1.5
68.68755	1.4
70.78317	1.4
71.14920	3.0
71.15243	2.3
72.60438	1.7
76.20177	1.6
77.83900	1.7
81.75110	1.6
91.05503	3.2
93.07021	3.4
95.04935	1.6
121.06490	27.4
139.07480	2.2
149.05960	91.1
159.98068	1.9
167.07014	100.0
185.08052	8.1
273.48694	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.1
55.05508	1.1
56.96552	1.2
65.08195	1.0
67.05503	2.4
69.03416	4.1
69.61888	9.4
71.01318	1.5
71.04963	1.9
77.94955	1.1
78.09879	1.0
79.05482	2.5
81.03401	100.0
82.03719	1.2
83.04951	1.4
85.02891	12.1
91.05463	2.7
93.07035	6.2
95.04951	22.9
97.02890	3.2
97.06503	1.1
98.97572	3.0
99.04451	2.6
104.58222	1.2
107.04917	1.6
109.06479	1.1
111.04423	5.1
116.98607	2.2
119.04937	1.3
121.06487	7.7
123.04409	41.3
127.03889	2.4
139.07538	3.6
143.00223	1.1
145.04948	4.2
149.05989	5.7
151.07571	1.0
158.99686	2.0
163.05946	1.8
167.07010	87.5
168.07251	1.4
177.00763	1.9
180.08594	1.5
185.08046	6.2
198.05078	1.0
198.09714	3.2
206.36159	1.1
219.01787	1.6
219.88054	1.1
237.02760	2.8
289.27786	1.0
383.09286	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	382.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.9
55.01854	9.7
55.05495	7.5
55.20723	4.2
57.03428	7.3
61.02920	6.8
65.48313	4.1
67.05497	17.1
69.03427	29.2
69.07035	9.1
70.06568	15.1
71.04980	19.4
71.70596	6.4
73.02897	5.2
79.05477	12.8
79.65290	4.3
80.44655	4.1
81.03413	21.5
81.07044	20.0
81.44553	4.6
83.04949	11.0
84.08128	6.4
85.02890	61.2
86.09698	8.7
87.00817	19.1
91.05468	13.8
93.07017	28.4
95.08586	27.5
97.02880	21.8
97.06523	6.7
99.04449	9.8
99.08073	18.2
101.02378	5.8
105.01850	23.1
105.07009	13.9
107.04982	5.8
107.08562	18.8
109.02865	18.9
109.06512	6.6
109.10139	9.8
110.07151	7.4
111.04456	8.0
111.08057	5.5
113.26635	4.5
117.09108	34.8
119.03368	5.5
120.08099	7.2
121.10132	21.6
121.62886	4.8
123.08047	7.6
125.09628	23.7
127.03925	34.5
127.07561	9.8
131.04903	4.4
131.08598	7.4
134.05910	3.7
136.07579	7.4
137.09595	8.7
137.12202	4.1
139.11147	19.4
145.04990	20.7
146.71556	4.5
149.09598	11.9
149.28529	4.6
151.11208	4.7
157.12242	13.1
159.02814	7.4
167.10661	100.0
172.07472	8.0
181.04771	6.9
185.11703	97.4
202.08746	5.6
203.12831	8.7
208.09547	5.3
220.09721	12.1
220.11749	6.1
223.10788	11.7
230.53943	4.7
231.04959	10.5
383.07761	5.6
383.13211	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	383.0942
Annotation	Resorcinolnaphthalein
Peak:m/z	Relative Intensity
54.52338	3.6
68.02977	3.1
71.60667	4.2
72.02708	3.1
79.49648	3.1
111.44116	3.4
113.00017	3.1
120.74293	3.0
142.79674	3.7
170.54224	3.3
184.13609	3.5
383.09460	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1118
Annotation	Rikuzenol
Peak:m/z	Relative Intensity
50.08622	0.3
53.03926	0.3
55.01846	0.5
55.05501	2.8
57.03420	0.5
57.07063	0.4
60.98434	0.3
67.01834	0.4
67.05495	6.8
68.99772	0.8
69.03397	0.9
69.07059	1.6
69.46387	3.3
71.04981	0.5
79.05474	1.6
81.03390	0.5
81.07051	3.1
83.04959	0.7
83.08575	0.8
85.02875	0.8
85.06525	0.5
91.05473	2.2
93.07046	2.4
95.04962	0.8
95.08590	3.0
97.06523	0.8
98.98454	0.8
100.36788	0.3
102.90247	0.3
105.07016	1.8
107.04929	0.9
107.08568	1.7
109.06497	0.8
109.10130	4.2
111.08057	0.5
115.05370	0.7
117.06991	0.8
119.08573	2.0
121.10133	1.5
123.04385	0.6
123.08011	0.6
125.09593	0.5
128.06229	0.6
129.06979	0.9
131.04932	0.5
131.08540	1.2
131.52156	0.3
133.06412	0.4
133.10069	1.0
135.08057	0.5
135.11729	0.7
137.05939	0.5
137.09576	0.5
137.13148	0.4
138.71930	0.4
139.03867	1.6
141.06985	0.7
142.07712	0.5
143.04900	0.6
143.08534	1.6
145.10106	0.9
147.04361	0.7
147.11696	1.1
149.09508	0.3
149.13242	0.6
153.01802	34.4
153.06984	0.5
154.02126	0.6
155.01048	0.5
155.08482	0.8
157.06409	0.4
157.10101	1.5
159.04385	0.7
159.07977	0.7
159.11690	1.2
161.05922	0.8
161.09586	0.5
161.13304	0.7
163.03891	0.5
167.07080	0.5
167.08530	0.5
169.06520	0.5
169.10118	0.5
171.02895	0.6
171.07980	0.5
171.11600	0.5
173.05940	0.4
173.11740	1.6
173.13194	0.7
175.03882	0.3
175.07542	0.4
175.11148	0.3
175.14803	0.4
181.06503	0.4
183.08078	0.4
183.11667	0.4
185.05988	0.5
185.09663	0.4
185.13286	0.5
187.07529	4.3
187.14763	0.4
189.05426	2.0
189.09048	0.6
195.07990	0.4
197.05931	0.5
197.09563	0.4
201.09074	0.5
203.03207	0.3
205.04948	0.4
211.07697	0.4
211.13158	0.5
213.05414	0.4
229.05031	0.9
237.05385	1.6
248.55220	0.3
253.04915	1.6
255.06445	0.5
257.04407	1.4
258.05182	4.0
265.04929	2.3
266.05466	0.4
267.06555	0.5
269.04434	0.7
279.06433	0.5
281.04330	2.6
282.05145	4.2
283.05872	2.0
283.10083	0.4
285.13885	0.4
286.04691	6.5
287.05460	1.2
291.19397	0.5
293.04456	0.8
293.08102	0.8
294.05429	0.5
295.05887	1.7
297.03915	1.7
298.04718	0.6
299.05392	1.2
303.13263	0.5
307.05884	0.4
309.03778	1.7
310.04672	1.7
311.05453	34.3
312.05792	1.4
313.03476	1.0
321.07541	0.6
323.05420	4.1
323.08997	0.5
323.64740	0.4
324.06018	0.5
325.07098	0.4
327.05032	1.2
339.08582	9.3
339.12613	0.6
355.11630	3.0
365.10001	0.8
365.20969	0.6
383.11182	100.0
383.33118	1.2
384.07175	0.3
384.11475	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1119
Annotation	Lisetin
Peak:m/z	Relative Intensity
55.01867	0.7
55.05495	1.1
57.03444	1.7
57.49098	0.3
60.11003	0.3
63.76528	0.3
64.54124	0.3
67.01854	1.0
67.05499	6.1
68.71152	0.3
68.99781	1.1
69.03390	0.4
69.07048	1.0
71.04969	0.5
71.69924	0.3
71.70337	0.6
79.05501	2.4
81.03401	1.0
81.07051	3.4
83.04941	0.3
83.08616	0.7
85.02910	0.5
85.06525	1.1
91.05444	2.2
93.07043	2.0
95.04965	2.1
95.08606	1.9
97.02883	0.4
97.06512	1.2
97.10162	0.4
98.98443	1.3
105.07012	1.7
107.04966	0.5
107.08595	1.5
109.02869	0.4
109.06506	1.9
109.10156	2.8
111.04413	0.3
113.05995	2.1
115.07540	0.3
117.07016	1.0
119.08565	1.3
121.06468	0.6
121.10052	0.5
123.08035	0.4
127.03829	0.4
127.07505	0.3
128.06236	0.4
129.07002	0.9
131.04933	0.5
131.08521	1.3
133.10104	1.1
135.04388	0.4
135.08034	1.2
135.11693	0.4
137.05930	0.7
137.09598	0.4
139.03862	0.4
141.06973	0.7
141.45224	0.3
143.04971	0.3
143.08557	0.7
145.06447	0.5
145.10101	0.6
147.04390	0.6
147.08015	0.4
147.11719	0.5
149.09592	0.3
149.13263	0.3
153.01807	11.9
153.07002	0.4
155.00993	0.8
155.03363	0.8
155.08525	0.7
157.06537	0.4
157.10104	0.6
159.07973	0.3
159.11682	0.7
161.05998	0.6
161.09595	0.5
169.10141	0.4
171.08047	0.3
171.11703	0.6
173.06010	0.3
173.09624	0.4
173.11700	1.0
173.13200	0.6
175.07532	0.4
179.08528	0.3
185.05959	0.3
185.13234	0.4
187.07521	0.9
189.05487	0.7
193.12134	0.4
195.07979	0.4
195.11633	0.5
197.05980	0.5
199.14819	0.4
201.09041	1.6
202.02702	0.3
203.03360	1.7
209.05811	0.3
211.07538	0.7
211.13231	1.0
213.05482	0.8
213.09207	0.3
213.36627	0.3
217.15811	0.6
221.08008	0.4
225.05473	0.3
225.09079	0.5
227.07021	0.4
229.04968	0.6
229.08578	1.1
237.05408	1.8
241.04980	0.8
242.05597	0.4
243.06369	1.4
252.04053	0.6
253.04895	1.0
253.08611	0.6
255.06548	1.4
257.04480	2.8
258.05179	0.9
265.04916	2.8
265.08490	0.4
266.05444	0.3
267.06479	0.4
269.04410	0.9
273.18430	1.1
281.04367	0.4
282.05179	2.2
283.06027	1.4
283.09042	0.3
286.04562	1.1
287.05466	4.6
288.05704	0.4
291.19476	1.6
293.04419	0.7
293.07910	0.5
295.05893	1.0
297.04108	1.6
297.06876	0.3
298.04688	2.9
299.05618	1.3
310.01016	0.5
310.04672	15.8
311.05460	50.0
312.05774	2.5
321.07733	0.6
323.05569	4.3
323.09198	0.9
324.06253	2.2
325.06918	0.4
326.07846	1.2
337.07004	0.6
339.08597	100.0
340.08945	6.9
365.09921	0.5
365.21307	0.6
383.11185	28.6
383.21948	1.1
383.25311	0.5
384.11435	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.2
55.01852	16.3
55.05490	11.7
57.03410	11.4
57.07051	5.5
60.73577	4.0
60.75060	3.6
61.02905	9.0
65.03922	3.8
67.05493	35.0
67.18895	2.9
68.99767	7.6
69.03421	48.8
69.07037	16.9
70.06574	10.6
70.10864	3.5
71.01343	4.8
71.04964	15.3
71.70189	5.9
73.02901	8.4
73.42899	3.6
79.05483	37.6
81.03410	36.1
81.07043	50.7
83.04951	16.6
84.19276	3.3
84.62743	3.3
85.02892	61.2
85.06509	14.1
87.00820	20.7
87.04428	5.1
91.05460	45.7
92.15750	3.8
93.07032	87.1
95.04945	22.4
95.08598	29.8
97.02883	30.6
97.06489	12.7
98.98486	4.6
99.04442	9.7
103.03935	9.2
103.05426	4.8
105.01857	9.2
105.07011	66.1
107.04958	6.7
107.08578	100.0
109.02859	22.8
109.06507	29.7
109.10164	27.1
111.04409	12.6
115.03925	6.3
117.06982	16.2
119.08562	44.3
120.08045	6.3
121.06487	16.3
121.10131	44.2
123.04415	14.1
123.08047	9.2
123.11655	11.6
125.05925	5.0
125.09570	3.7
127.03899	21.3
129.01810	7.3
129.05415	4.7
129.06946	6.9
131.08542	27.6
133.06477	13.2
133.10114	33.4
135.04276	4.6
135.08028	12.2
135.11673	47.9
137.05951	11.0
137.09616	8.8
137.13165	4.5
139.07515	4.3
141.06975	3.9
142.07715	5.0
143.08522	12.5
145.04881	6.1
145.06491	6.9
145.10095	31.4
147.08040	7.9
147.11678	38.6
149.05936	5.6
149.09569	7.6
149.13216	9.2
151.07477	6.3
151.11169	6.2
155.08543	4.9
157.06413	3.9
157.10080	10.2
159.02966	4.4
159.08070	6.8
159.11673	22.1
161.09596	9.5
161.13306	9.7
163.07471	5.1
163.11111	22.8
165.08957	4.3
165.12753	19.3
171.11642	7.0
173.09622	12.0
173.13228	10.1
175.11142	7.7
177.09149	6.6
177.12737	22.3
183.11624	7.1
185.09595	6.5
189.03865	6.0
189.12733	10.4
191.06996	4.2
191.10597	5.2
191.14316	5.2
195.11777	3.9
197.13200	5.7
201.12801	6.0
202.07747	4.2
203.10652	6.0
203.14305	10.4
215.08598	4.5
215.14282	6.3
219.08022	9.3
219.13754	7.2
220.08635	5.0
221.15352	7.0
225.12650	8.5
231.08038	7.8
233.09547	7.4
243.13763	24.3
247.07474	14.4
248.08330	13.9
249.08957	7.7
261.09070	5.6
261.14868	37.6
262.10028	5.5
263.10648	7.1
265.08615	6.0
273.09149	6.4
275.07053	3.8
276.07834	8.4
277.08493	9.4
279.15781	10.7
290.09232	6.3
291.10068	13.2
293.07919	8.9
307.09485	11.2
318.08807	6.3
319.09729	5.6
320.10382	3.9
321.07626	5.7
323.12720	14.0
325.10522	4.2
336.09860	7.1
337.10608	13.8
347.14798	4.4
351.12372	20.9
352.12784	11.7
353.09958	8.6
357.20804	4.2
365.15884	13.9
368.12357	6.5
383.14731	57.1
383.22385	24.3
400.58304	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	383.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.2
55.01852	16.3
55.05490	11.7
57.03410	11.4
57.07051	5.5
60.73577	4.0
60.75060	3.6
61.02905	9.0
65.03922	3.8
67.05493	35.0
67.18895	2.9
68.99767	7.6
69.03421	48.8
69.07037	16.9
70.06574	10.6
70.10864	3.5
71.01343	4.8
71.04964	15.3
71.70189	5.9
73.02901	8.4
73.42899	3.6
79.05483	37.6
81.03410	36.1
81.07043	50.7
83.04951	16.6
84.19276	3.3
84.62743	3.3
85.02892	61.2
85.06509	14.1
87.00820	20.7
87.04428	5.1
91.05460	45.7
92.15750	3.8
93.07032	87.1
95.04945	22.4
95.08598	29.8
97.02883	30.6
97.06489	12.7
98.98486	4.6
99.04442	9.7
103.03935	9.2
103.05426	4.8
105.01857	9.2
105.07011	66.1
107.04958	6.7
107.08578	100.0
109.02859	22.8
109.06507	29.7
109.10164	27.1
111.04409	12.6
115.03925	6.3
117.06982	16.2
119.08562	44.3
120.08045	6.3
121.06487	16.3
121.10131	44.2
123.04415	14.1
123.08047	9.2
123.11655	11.6
125.05925	5.0
125.09570	3.7
127.03899	21.3
129.01810	7.3
129.05415	4.7
129.06946	6.9
131.08542	27.6
133.06477	13.2
133.10114	33.4
135.04276	4.6
135.08028	12.2
135.11673	47.9
137.05951	11.0
137.09616	8.8
137.13165	4.5
139.07515	4.3
141.06975	3.9
142.07715	5.0
143.08522	12.5
145.04881	6.1
145.06491	6.9
145.10095	31.4
147.08040	7.9
147.11678	38.6
149.05936	5.6
149.09569	7.6
149.13216	9.2
151.07477	6.3
151.11169	6.2
155.08543	4.9
157.06413	3.9
157.10080	10.2
159.02966	4.4
159.08070	6.8
159.11673	22.1
161.09596	9.5
161.13306	9.7
163.07471	5.1
163.11111	22.8
165.08957	4.3
165.12753	19.3
171.11642	7.0
173.09622	12.0
173.13228	10.1
175.11142	7.7
177.09149	6.6
177.12737	22.3
183.11624	7.1
185.09595	6.5
189.03865	6.0
189.12733	10.4
191.06996	4.2
191.10597	5.2
191.14316	5.2
195.11777	3.9
197.13200	5.7
201.12801	6.0
202.07747	4.2
203.10652	6.0
203.14305	10.4
215.08598	4.5
215.14282	6.3
219.08022	9.3
219.13754	7.2
220.08635	5.0
221.15352	7.0
225.12650	8.5
231.08038	7.8
233.09547	7.4
243.13763	24.3
247.07474	14.4
248.08330	13.9
249.08957	7.7
261.09070	5.6
261.14868	37.6
262.10028	5.5
263.10648	7.1
265.08615	6.0
273.09149	6.4
275.07053	3.8
276.07834	8.4
277.08493	9.4
279.15781	10.7
290.09232	6.3
291.10068	13.2
293.07919	8.9
307.09485	11.2
318.08807	6.3
319.09729	5.6
320.10382	3.9
321.07626	5.7
323.12720	14.0
325.10522	4.2
336.09860	7.1
337.10608	13.8
347.14798	4.4
351.12372	20.9
352.12784	11.7
353.09958	8.6
357.20804	4.2
365.15884	13.9
368.12357	6.5
383.14731	57.1
383.22385	24.3
400.58304	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	383.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.7
53.11149	3.2
55.01857	11.8
55.05504	32.5
57.03437	22.8
57.07071	4.0
59.04994	3.6
61.02902	7.3
64.38451	3.7
65.03925	4.1
67.05495	45.1
69.03423	30.3
69.07063	32.8
69.71896	21.1
69.72323	11.6
70.06571	3.9
71.01365	3.6
71.04979	17.1
71.08631	3.9
73.02923	7.7
77.53197	3.4
79.05486	37.9
81.03398	25.1
81.07043	100.0
83.04992	9.1
83.08611	11.1
84.04479	4.6
84.08014	3.4
85.02892	60.5
85.06528	15.3
86.09701	9.5
86.30712	3.6
91.05467	47.6
92.05814	5.8
93.07037	82.3
93.07587	7.5
95.04944	21.2
95.08598	73.5
97.02892	23.9
97.06521	18.1
97.10159	8.6
98.20705	8.2
98.98465	25.0
99.04454	10.2
99.08054	8.1
103.03926	6.7
103.05482	4.4
105.07012	75.6
107.04930	7.2
107.08572	69.4
109.02866	10.2
109.06517	17.7
109.10140	69.8
109.67496	4.1
111.04414	7.8
111.08076	8.1
111.11720	8.1
115.03892	4.7
115.05434	4.1
117.06994	16.9
119.08566	72.4
121.06494	10.2
121.10143	33.3
123.04426	7.6
123.08083	11.5
123.11681	18.6
125.09624	7.9
127.03922	12.0
128.06209	5.1
129.06998	10.6
130.07797	4.7
131.04910	4.3
131.08545	25.5
133.06493	7.5
133.10094	43.0
135.08046	9.2
135.11676	26.2
137.05972	16.4
137.09555	6.6
141.06967	4.8
142.07736	6.6
143.08562	19.6
145.04996	4.6
145.06429	4.7
145.10107	28.1
146.07198	3.7
147.04370	5.7
147.08025	8.5
147.11679	48.2
149.09561	8.4
149.13278	10.2
151.07539	5.0
151.11159	15.1
155.01028	18.0
155.08540	7.2
157.10112	15.8
159.07980	9.0
159.11613	21.0
161.05971	9.2
161.09657	7.0
161.13240	28.8
163.11159	6.0
163.14830	21.9
165.09084	4.6
165.12723	4.3
167.07030	5.0
169.10091	9.1
171.07941	6.5
171.11674	12.7
173.09555	5.3
173.13220	15.5
175.07500	4.9
175.11115	6.5
175.14819	21.8
177.12691	4.6
183.11685	7.5
184.07355	8.2
185.13281	11.5
187.07524	7.8
187.14832	9.1
189.12767	5.0
197.13298	7.1
199.07506	54.9
199.11267	5.2
201.16316	22.7
203.08430	4.1
203.14311	7.0
203.17940	80.2
207.11794	4.8
209.13275	4.1
211.07550	8.5
211.13158	21.7
215.17953	5.9
221.15387	22.8
221.19031	15.8
227.17955	6.5
229.04869	4.3
229.14314	13.6
231.08282	4.8
231.17427	5.8
232.08728	4.7
233.19119	6.5
239.17963	4.2
243.17448	4.7
245.18967	7.7
249.09088	5.3
257.04504	13.7
261.08994	5.1
273.18555	4.9
275.10571	6.5
275.20047	4.6
277.08563	5.3
287.05484	4.4
287.19928	4.9
291.10245	8.9
291.19482	5.7
293.08249	6.1
299.19968	5.1
303.10367	4.7
309.11203	6.0
311.19986	7.5
323.09412	4.9
323.12833	8.4
329.20987	17.0
335.12689	13.0
347.22141	18.0
365.13806	9.7
365.23193	13.6
383.10764	35.2
383.15637	22.1
383.20407	3.7
383.24362	14.0
383.29199	5.2
384.11133	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	383.2575
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
50.22424	2.1
51.02340	2.5
53.03925	5.0
53.11769	2.1
55.01863	2.2
55.05499	16.0
57.07045	10.4
59.04984	6.6
65.03922	4.6
67.05495	32.0
69.03411	13.6
69.07046	10.0
69.44317	13.4
69.44743	10.1
71.04973	7.1
79.05482	28.8
81.07050	36.0
83.04962	8.6
83.08604	3.7
85.06527	6.2
89.55650	1.9
91.04923	3.3
91.05462	48.6
93.07030	100.0
95.04954	27.3
95.08595	36.8
97.06509	14.0
98.20615	4.6
98.41819	2.1
103.05445	4.9
105.07012	93.9
107.08579	48.2
109.06514	21.9
109.10161	21.8
111.08042	8.3
117.07015	8.5
119.08559	59.8
120.09380	3.1
121.06492	15.2
121.10123	39.8
122.07223	2.3
123.08043	34.9
123.11672	3.2
128.06212	6.6
129.06984	12.1
130.07788	4.4
131.08557	27.5
133.06487	9.8
133.10107	34.8
135.08031	23.7
135.11673	8.3
137.05933	3.4
137.09595	13.6
137.13280	2.2
141.06961	7.4
142.07773	18.3
143.08548	22.8
145.06406	2.5
145.10109	43.1
146.07237	3.6
147.08040	24.7
147.11694	20.2
149.09616	23.5
149.13255	2.3
151.07520	44.1
153.09003	4.4
155.08510	7.0
156.09322	7.5
157.10100	41.4
159.08011	8.0
159.11696	16.7
160.08850	3.3
161.09602	24.7
161.13243	8.8
163.11163	6.9
165.06943	3.8
165.09109	38.0
169.10130	4.3
170.10851	4.4
171.11665	8.2
173.09641	11.5
173.11842	2.5
173.13237	8.1
175.11134	22.0
175.14758	9.0
177.09091	9.0
180.09329	2.4
181.10156	3.9
181.12143	4.0
182.10962	3.0
183.11664	6.3
185.09596	4.0
185.13263	20.1
187.11075	5.5
187.14799	3.0
189.12759	13.5
191.14328	4.3
196.12477	2.6
197.13203	5.9
199.11150	4.5
201.12741	10.8
203.14281	32.3
207.11819	4.5
207.13791	12.6
209.13321	5.4
209.15240	4.5
211.11191	3.3
211.14786	4.0
213.12724	3.3
215.10724	3.0
215.14252	10.7
216.14998	3.4
219.13719	5.3
221.15324	74.5
225.12695	4.3
227.14328	2.9
229.15884	2.8
231.13649	3.9
233.15346	7.2
234.16046	11.6
238.29713	2.6
241.15884	2.4
243.13728	4.1
281.18817	2.6
283.16754	2.5
286.19226	8.2
287.20041	12.3
298.63422	2.2
299.20007	7.4
303.19485	10.4
309.18427	3.2
327.19498	2.9
347.23624	2.4
365.24619	14.2
383.25742	79.6
384.26163	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	383.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.4
55.05511	17.1
57.07066	15.4
59.04977	7.7
65.03894	3.8
67.05134	3.5
67.05492	43.3
69.03423	14.8
69.07062	11.3
71.04971	6.9
71.71829	3.9
79.05487	31.5
81.07047	41.9
83.04948	7.7
83.08607	3.0
85.06534	12.2
91.05466	51.4
93.07034	100.0
95.04953	31.7
95.08602	48.3
97.06549	12.5
103.05428	2.2
103.30563	2.1
105.06331	4.8
105.07018	83.9
107.04935	3.3
107.07909	3.8
107.08581	45.6
109.06509	24.7
109.10130	24.9
111.08063	12.1
115.05463	4.4
116.06253	2.9
117.07011	15.4
117.07674	2.5
119.08561	67.5
120.09349	3.1
121.06469	16.6
121.10121	50.2
122.07287	3.4
123.08075	30.9
125.06003	2.4
128.06206	7.7
129.06987	12.8
130.07779	5.7
131.08545	34.9
133.06476	11.7
133.10121	36.1
134.07187	3.1
135.08040	24.1
135.11646	7.1
137.05969	3.1
137.09589	12.4
141.06931	5.3
142.07733	23.2
143.08551	23.5
145.06496	4.1
145.10112	42.4
147.08040	25.7
147.11696	20.8
148.08884	4.1
149.09593	29.4
149.13231	3.5
151.07520	40.1
153.09091	3.8
155.08505	6.7
156.09337	5.8
157.10109	48.3
159.08015	7.8
159.11646	19.9
160.08624	3.1
161.09567	19.3
161.13200	13.4
163.11148	8.6
163.14732	3.6
165.09106	55.2
167.08540	2.6
168.09308	2.9
169.10147	4.1
170.10887	6.0
171.07999	2.3
171.11682	7.8
173.09605	11.4
173.11803	3.9
173.13187	11.3
175.11182	19.8
175.14789	11.2
177.09105	12.7
178.09798	3.9
181.10133	4.0
182.11064	2.7
183.11627	4.7
185.13243	17.9
187.11139	5.4
187.14784	4.2
189.12779	10.5
191.14279	3.4
192.20464	2.4
193.10146	2.9
194.10794	3.1
195.11644	5.4
197.13240	7.2
199.11142	4.8
199.14781	3.8
201.12759	12.5
203.14297	34.2
207.11838	4.5
207.13791	14.9
209.13268	5.7
209.15239	5.9
211.10864	2.8
213.12669	3.1
215.14285	8.4
216.15047	3.7
218.34152	2.7
219.13785	8.3
221.13368	3.3
221.15334	92.0
221.17500	5.1
222.15639	4.2
225.12758	3.3
225.16168	2.9
227.14294	5.2
231.13824	3.2
233.15450	6.0
234.16046	17.8
237.14835	4.3
239.18016	3.0
243.13768	5.1
274.19287	3.8
281.18967	3.3
285.18295	3.0
286.19159	5.6
287.20038	8.0
299.19989	5.8
303.19504	7.3
343.39243	3.2
347.23581	2.6
365.24771	10.2
383.25745	79.2
383.32953	4.2
384.25970	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	383.2576
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
50.25875	1.6
53.03922	6.4
55.01863	4.4
55.05506	16.7
57.07067	10.0
59.04977	7.2
65.03933	2.8
66.31033	1.5
67.05144	1.8
67.05495	32.1
69.03419	15.2
69.07043	8.0
70.89285	2.1
70.89647	5.8
71.05000	8.3
79.05483	31.5
80.06256	2.8
81.06601	2.7
81.07044	34.0
83.04944	7.5
83.08593	6.3
85.02882	1.7
85.06525	6.2
87.04430	2.0
91.04925	3.0
91.05468	46.9
93.07033	100.0
95.04958	28.5
95.08598	35.6
97.06516	15.4
103.05443	4.0
105.07018	79.9
107.04910	2.8
107.08583	41.2
108.05706	2.5
109.06503	30.7
109.10127	24.5
111.08089	10.1
113.09638	2.8
115.05412	2.6
116.06243	3.1
117.07011	11.3
119.08566	49.7
120.08900	2.1
121.06490	12.9
121.10126	44.2
122.07278	1.9
123.08054	27.4
123.11656	2.7
125.09572	2.5
128.06229	8.0
129.07008	12.3
130.07758	5.0
131.08551	30.5
133.06465	11.1
133.10104	29.5
135.08040	24.9
135.11667	8.9
137.09586	10.7
141.06964	5.2
142.07762	18.4
143.08536	25.0
144.09294	6.0
145.06453	4.9
145.10110	42.3
146.10382	1.8
147.08043	26.8
147.11659	16.8
148.08763	2.5
149.09595	25.6
150.10387	2.2
151.07529	41.2
153.09079	6.3
155.08516	7.5
156.09317	8.6
157.10123	40.6
158.07262	2.4
158.10901	1.9
159.08014	7.6
159.11630	16.2
160.08826	3.8
161.09607	21.9
161.13205	8.9
163.11194	9.0
165.06996	2.5
165.09105	34.6
167.06958	1.7
167.08498	3.0
168.09329	2.3
169.10109	6.9
170.10863	5.4
171.07980	2.1
171.11649	10.0
173.09592	9.8
173.11794	2.9
173.13235	9.8
174.10388	3.5
175.11177	18.7
175.14821	7.4
177.09084	13.0
178.09839	2.5
179.08540	2.9
181.10117	4.1
181.12206	3.1
182.10895	3.2
183.11647	4.8
185.09619	4.3
185.13252	18.6
187.11150	5.7
187.14821	3.2
189.12730	10.3
190.50818	1.8
191.14272	4.3
193.75481	1.8
194.10907	2.9
195.11621	4.9
197.13239	7.1
199.11148	3.2
199.14761	2.3
201.12784	9.9
203.14314	31.3
207.11807	3.8
207.13792	12.2
209.13239	6.5
209.15317	4.7
211.11099	2.2
211.14784	3.1
213.12682	4.8
213.16368	3.3
215.10689	2.0
215.14252	10.9
216.15128	3.2
218.88225	1.7
219.13786	7.5
221.13414	3.0
221.15327	67.2
223.14699	1.9
225.12743	2.9
225.16374	2.4
227.14275	5.6
229.15700	2.9
231.13783	3.3
233.15355	8.1
234.16127	14.7
237.14687	2.8
237.16612	2.3
239.14291	2.3
241.15868	3.6
243.13861	4.2
247.16982	2.7
255.17490	2.2
257.15155	2.1
269.18881	1.9
271.16925	2.8
281.18967	2.9
286.19226	5.8
287.20071	8.0
299.19962	5.3
303.19482	9.0
307.20578	3.0
309.18491	3.2
325.21515	2.0
327.19736	2.5
347.23798	4.2
365.24701	11.8
383.25717	69.5
384.26160	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	383.2575
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
50.89067	1.5
53.03929	3.7
55.01846	2.2
55.05317	1.2
55.05505	13.5
57.03432	2.7
57.07067	12.0
58.60224	1.8
59.04986	5.7
65.03920	2.2
67.05490	36.4
69.03423	15.0
69.07057	8.6
70.95633	3.5
70.95964	1.7
71.04988	7.5
77.68868	1.6
79.02275	1.4
79.05029	2.9
79.05476	30.9
81.07043	36.7
83.04969	5.5
83.08611	3.2
85.06517	6.7
91.05465	52.1
91.77243	1.8
93.07028	100.0
95.04956	28.5
95.08591	41.1
97.06512	13.5
103.05472	2.9
103.38998	1.4
105.07011	81.0
107.04910	3.1
107.08566	38.6
108.05708	1.8
109.06502	23.6
109.10133	21.8
111.08050	9.1
115.05429	4.3
116.06207	2.1
117.07012	11.9
119.05007	1.9
119.06050	2.0
119.08559	56.5
120.09422	2.2
121.06486	10.8
121.10125	47.6
123.08045	30.4
123.11648	1.5
128.06184	8.7
129.06960	10.2
130.07782	4.7
131.08545	27.6
133.06482	9.3
133.07433	1.8
133.10101	32.5
134.10495	1.7
135.08034	22.9
135.11655	6.2
137.05943	1.9
137.09586	15.6
139.07535	1.8
141.06966	5.5
142.07767	19.1
143.08528	21.3
144.09326	3.8
145.06471	2.4
145.10106	39.6
146.07257	2.3
147.08025	27.1
147.11646	14.5
148.08801	4.8
149.09596	29.0
150.10344	3.1
151.07512	37.3
153.06969	1.9
153.09035	3.1
155.08513	7.1
156.09338	7.8
157.10107	38.5
158.10791	2.1
159.08026	9.9
159.11682	12.3
160.08817	4.5
160.12289	1.7
161.09596	22.9
161.13226	8.3
163.11151	8.2
165.07031	1.7
165.09088	41.8
165.10425	2.7
167.08530	2.8
168.09349	2.6
169.10133	5.4
170.10872	5.3
171.08060	2.6
171.11668	6.0
172.08868	2.0
173.09616	10.5
173.13254	6.5
175.11119	16.6
175.14784	10.8
177.09093	9.2
177.12750	1.8
178.09874	2.7
179.08400	1.9
181.10103	2.1
182.10886	2.0
183.11722	8.0
185.09616	3.7
185.13196	18.0
187.11192	6.1
187.14844	4.4
188.11964	2.8
189.12703	11.2
191.10649	2.2
191.14275	3.8
193.10046	2.3
195.11737	3.6
197.13260	6.0
199.11134	4.1
199.14867	2.1
201.12706	8.8
203.14279	31.1
204.14525	1.9
206.10890	1.8
207.11862	3.8
207.13800	13.5
209.13223	5.9
209.15367	4.6
211.11206	2.5
211.14989	1.6
213.12701	3.2
215.14282	5.8
216.15105	2.9
219.13799	6.8
221.15321	77.2
222.15817	1.6
223.14745	2.6
225.12688	2.6
227.14342	3.0
229.12175	1.9
231.13715	2.7
233.15411	6.3
234.16066	11.2
243.13846	3.0
248.15388	2.2
253.15797	2.0
263.17902	2.1
265.16052	1.9
267.17511	3.3
268.90274	1.8
269.19168	2.6
271.16830	3.0
281.18933	4.9
285.18286	2.1
286.19254	5.0
287.20020	7.6
299.19980	4.9
303.19662	7.4
309.18527	3.9
347.23718	2.9
365.24677	11.0
383.25742	56.8
384.26135	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.3
53.56061	2.2
55.05510	18.5
57.03413	3.2
57.07064	11.6
59.04990	6.3
65.03947	4.9
67.05489	40.6
68.46212	2.8
69.03423	18.1
69.07050	10.4
70.28323	10.1
71.04977	6.1
71.51911	2.3
77.03876	2.8
79.05488	30.7
81.07043	37.7
82.29436	2.3
83.04966	8.2
83.08599	9.7
85.06537	6.8
91.05469	40.4
93.07030	100.0
95.04961	23.3
95.08589	43.6
95.11177	2.5
97.06526	14.1
100.79267	2.6
105.07018	86.1
107.04962	3.9
107.08578	48.7
109.06506	24.6
109.10145	34.8
111.08080	11.5
117.07013	11.7
119.08570	61.8
121.06493	16.1
121.10132	40.2
123.08057	28.3
123.11714	3.4
127.02639	2.8
127.56504	2.5
128.06236	9.8
129.06993	12.4
130.07779	3.0
131.08557	28.2
133.06508	7.5
133.10107	33.3
135.08020	27.7
135.11688	9.2
137.05923	3.6
137.09578	12.9
137.25864	3.7
141.06998	7.1
142.07755	17.7
143.08546	22.6
144.09322	3.8
145.06496	3.4
145.10095	42.0
146.07326	3.2
147.08018	29.4
147.11665	17.4
148.08812	4.6
149.09599	21.3
151.07518	44.2
151.11111	2.9
153.09091	4.5
155.08493	5.9
156.09319	7.4
157.10095	39.2
158.10843	3.3
159.08052	11.9
159.11662	14.9
161.09618	23.3
161.13202	14.3
163.11160	9.3
163.14903	2.8
165.09097	49.1
169.10098	8.2
170.10803	6.5
171.11667	6.1
173.09636	10.2
173.11812	5.9
173.13268	11.5
175.11127	22.5
175.14842	10.4
177.09055	7.7
181.12282	2.6
183.11697	8.9
185.09618	4.9
185.13231	20.8
187.11185	6.0
187.14645	3.0
189.12756	12.3
193.10167	4.1
195.11583	6.1
197.13289	6.4
199.14743	2.8
201.12747	7.1
203.14317	33.7
207.11835	5.7
207.13791	10.3
209.13367	6.3
209.15303	6.7
213.12804	3.4
215.14288	11.2
216.15018	3.5
219.13719	5.9
221.15335	86.8
225.12761	4.1
225.16342	3.9
227.14301	4.9
233.13248	3.1
233.15425	6.9
234.16127	6.9
237.14890	3.5
243.13806	3.6
253.15968	3.1
279.17831	2.8
281.19098	3.7
286.19250	4.1
287.20068	9.7
299.19998	7.8
303.19467	7.4
339.79788	2.6
365.24698	11.9
383.11621	3.7
383.20627	6.2
383.25677	67.8
383.33286	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	383.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.05497	18.7
57.03447	2.8
57.07058	7.0
59.04989	4.6
65.03909	3.1
67.05494	45.9
69.03423	4.8
69.07056	25.9
69.50816	2.3
71.71002	3.8
79.05477	21.9
81.07043	69.5
83.04947	3.1
83.08611	13.9
85.06524	16.9
88.57147	2.5
91.05466	31.0
93.06436	3.4
93.07025	69.0
95.04939	11.0
95.08592	100.0
95.17760	2.3
96.08915	2.8
97.06514	4.7
97.10152	8.1
105.06337	4.0
105.07011	71.6
107.08572	70.9
108.08964	2.6
109.06487	8.2
109.10132	68.6
111.08073	4.3
117.06998	8.0
119.08556	86.9
121.06490	5.5
121.10127	58.2
123.08030	10.9
123.11662	17.7
125.09588	3.1
128.06117	4.1
129.07019	6.2
131.08556	20.2
133.10103	43.3
135.08046	5.9
135.11674	41.5
137.09598	4.7
137.13229	9.3
142.07784	5.0
143.08559	8.8
145.10060	26.2
147.08066	7.1
147.11659	35.3
149.09555	5.2
149.13235	38.7
151.07516	12.6
151.14789	2.5
155.08588	3.9
156.09354	3.0
157.10143	16.8
159.11653	27.1
161.09573	7.3
161.13252	38.0
163.11177	4.6
163.14804	27.1
165.09044	12.7
165.12802	4.2
169.09995	2.7
171.11707	5.4
173.09543	3.0
173.11873	3.9
173.13181	13.3
175.11217	4.9
175.14798	39.6
177.16336	9.8
179.14284	5.6
183.11633	3.8
185.13329	5.7
187.14813	13.4
189.12592	3.4
189.16339	19.6
191.14340	3.4
191.17908	51.1
191.19510	4.7
193.15865	5.9
197.13190	3.0
199.11079	3.1
199.14856	3.9
201.16370	9.7
203.14262	8.0
203.17906	17.5
205.19499	5.9
207.13857	3.1
209.13281	2.8
213.16338	6.1
215.14375	2.8
215.17908	10.7
217.19408	13.7
221.15340	20.5
227.17860	6.1
229.19382	4.3
233.15221	2.9
241.19424	4.5
243.21017	3.0
253.19298	3.2
255.21022	5.9
257.22525	8.3
257.92163	2.7
288.01254	2.6
365.24738	4.4
365.31998	19.2
383.20264	19.0
383.25464	19.3
383.33096	70.2
384.20566	5.8
384.33237	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	385.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87558	0.7
56.96549	5.7
70.30004	4.0
71.95238	1.8
98.97564	38.7
99.97912	1.0
100.97162	0.9
101.00861	1.3
116.98605	36.7
117.98932	1.1
118.98155	1.2
119.01909	5.3
120.74082	0.8
130.52304	0.7
134.99634	30.0
135.99982	0.9
137.02936	2.6
138.57681	0.7
140.00166	1.1
153.00710	4.4
158.01273	1.8
177.00916	15.1
177.12175	1.0
178.01022	3.0
179.00665	1.4
199.25769	0.9
201.00815	1.5
217.04120	2.9
219.01987	27.8
219.04124	1.4
220.02054	4.7
221.01758	2.4
225.01065	1.8
234.99919	2.8
236.00073	1.6
236.99785	4.2
237.99771	1.1
240.98799	1.6
242.98674	1.8
243.01897	7.0
253.00819	1.0
255.00757	1.4
258.99774	16.5
259.99973	6.7
260.99731	21.4
261.03036	100.0
262.00250	2.0
262.03162	9.7
263.02887	1.7
266.98837	1.4
276.97757	1.4
277.00803	30.0
278.00961	11.6
279.00647	36.6
280.00977	2.2
281.00674	1.0
282.99854	6.4
284.00113	3.0
284.04501	3.7
284.99792	15.5
285.99826	5.8
286.56824	0.9
294.98865	0.9
300.02377	1.5
301.00983	10.1
302.01120	8.5
303.00824	35.1
304.00842	7.8
305.00873	1.8
318.98801	1.7
321.01859	1.1
326.02411	1.6
343.02130	5.0
344.02008	1.1
361.01120	7.8
367.02148	1.1
379.02438	3.6
385.03354	11.9
386.03394	2.0
403.00339	7.0
403.04178	14.4
404.04568	1.5
408.04813	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10600	4.9
66.98659	5.2
69.61154	47.1
87.87543	4.5
120.72437	5.4
123.66203	4.8
165.03841	5.2
243.02084	4.7
385.08926	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0913
Annotation	Sanguinolignan A
Peak:m/z	Relative Intensity
51.02392	0.5
53.00306	0.8
53.03949	0.6
55.01865	8.3
55.02121	0.5
55.05514	1.4
57.03432	0.4
65.03927	4.2
67.01836	0.5
67.05497	2.8
68.99787	2.4
69.03436	0.8
69.07063	1.1
70.89861	0.5
70.90207	0.7
71.05015	0.3
79.05480	3.3
81.03431	1.4
81.07044	3.0
83.05012	0.4
83.08607	1.2
85.02918	0.6
85.06535	0.8
91.05482	3.7
93.07039	2.3
95.01334	1.5
95.04951	2.2
95.08598	2.6
97.06503	2.1
99.04458	0.4
103.05469	0.8
105.03374	0.3
105.07026	3.7
107.04967	0.8
107.08566	1.5
109.02883	1.1
109.06527	0.6
109.10133	1.1
111.00762	0.4
111.04418	1.2
111.08065	0.5
114.99460	0.3
115.05464	3.0
116.98586	0.3
117.07004	1.0
119.04155	0.6
119.04931	7.0
119.08550	1.5
121.02884	0.9
121.06490	0.5
121.10104	0.9
123.04426	1.1
125.02371	0.7
125.09637	0.5
127.03886	0.4
129.07010	0.7
131.04913	1.1
131.08554	0.9
133.02791	1.2
133.06477	3.6
133.10126	1.1
135.04398	22.1
136.04750	0.4
137.05959	1.1
139.03894	2.0
141.06987	0.4
142.07747	0.3
143.03354	0.4
143.04904	6.6
143.08580	0.5
144.05145	0.5
145.06488	1.0
145.10074	1.1
147.04391	12.6
147.08040	0.5
147.11699	0.5
148.04778	0.4
149.02324	100.0
150.02660	2.8
151.03894	0.4
151.07521	0.4
153.01794	2.1
153.09073	0.5
157.06488	0.5
157.10126	0.6
158.99524	0.4
159.04401	1.8
159.08142	0.4
161.02328	1.0
161.05960	4.3
161.13223	0.6
163.03870	1.0
163.07530	0.7
167.03392	0.9
167.06979	0.7
169.10103	0.4
170.21152	0.3
171.02887	2.0
171.04135	0.3
173.05960	5.5
174.06261	0.4
175.03900	1.2
175.07637	0.4
177.05455	20.2
178.05768	0.8
179.03436	0.6
179.14471	0.4
181.04918	0.5
185.09526	0.6
187.03909	2.4
187.07544	0.6
188.08270	0.4
189.05418	1.0
191.03395	7.1
191.07004	12.1
192.07263	0.6
193.12216	4.0
197.13179	0.5
199.03844	0.9
199.11154	0.5
201.05406	2.8
201.09048	0.4
205.15884	0.5
215.03352	1.2
215.10620	0.3
215.14371	0.5
217.04887	1.6
217.08566	0.4
233.05872	0.4
233.11554	0.4
245.04356	0.4
255.06433	0.8
257.08054	0.4
271.09546	0.6
279.06329	0.3
291.06332	0.4
304.07950	0.3
309.07553	0.6
325.06607	0.5
327.08627	1.8
337.07019	3.3
349.06885	0.5
349.21274	0.4
352.12924	0.5
355.07791	0.6
363.26181	0.3
367.07761	0.7
367.15390	0.7
367.22372	1.2
385.08853	10.8
385.12595	1.2
385.16687	0.8
385.23608	5.9
385.28229	0.7
386.09283	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0913
Annotation	Nidurufin
Peak:m/z	Relative Intensity
53.99215	0.3
55.01855	0.4
55.05491	1.1
57.03419	0.5
59.87754	0.3
66.55740	0.3
67.05499	2.1
69.03373	0.3
69.07072	1.5
70.06574	0.4
70.33149	1.3
71.04966	0.7
79.05475	1.3
81.03400	1.0
81.07053	1.7
83.04948	0.4
83.08598	1.0
84.12756	0.3
85.02876	0.6
91.05462	1.2
93.07023	1.4
95.04941	0.4
95.08578	1.2
97.06509	0.9
97.10155	0.5
105.07010	1.8
107.04950	0.6
107.08569	1.2
109.10146	1.1
111.08044	0.3
117.07010	0.4
119.08577	1.0
121.06511	0.3
121.10139	1.0
123.04453	0.4
123.07979	0.4
123.11726	0.4
129.06947	0.4
131.08517	0.9
132.02780	0.3
133.06476	0.4
133.10109	1.2
135.04378	2.2
135.07970	0.4
137.05945	0.5
137.09569	0.4
143.08499	0.6
145.06422	0.6
145.10185	0.9
147.08014	0.4
147.11667	0.7
149.02333	1.5
153.01823	1.8
157.10062	0.5
157.49615	0.3
159.11719	0.5
161.13164	0.3
163.03961	0.5
167.08623	0.4
171.11755	0.5
173.05954	0.6
173.38196	0.3
177.05461	0.5
187.07582	0.3
193.04967	0.6
193.12256	1.0
201.05493	0.6
215.14432	0.3
216.04100	0.8
217.04939	1.0
229.04939	0.5
230.05815	0.4
241.05037	0.4
242.05699	2.5
243.06480	0.5
253.04996	2.1
255.06496	13.0
256.07236	4.0
257.04428	6.5
258.05176	1.2
259.05612	0.4
268.07199	0.5
269.04443	1.4
270.05203	4.2
271.05960	1.2
272.06540	1.6
273.03879	0.4
283.05942	1.9
284.06738	3.3
285.04156	0.6
285.07574	1.0
286.04584	1.3
287.05478	3.1
297.03879	0.4
298.04745	1.5
299.05463	11.6
299.08896	0.7
300.05981	1.4
301.03348	1.3
301.06644	0.3
302.04114	0.7
311.05420	3.1
311.12973	0.3
313.03561	0.5
313.06985	6.4
314.07327	0.6
315.04935	7.8
315.08615	8.5
316.05649	2.7
316.08936	0.7
323.05460	0.5
326.04190	2.9
327.04926	2.0
327.08447	0.7
329.06525	4.3
329.14011	0.9
330.06998	0.8
331.04379	0.6
331.08063	7.9
332.08331	0.7
341.06509	24.4
342.06766	1.5
357.09634	1.4
367.22598	1.1
369.05478	0.4
385.09116	100.0
385.23334	5.1
386.09454	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01861	0.5
55.05505	0.6
56.96549	4.4
57.03420	1.2
60.95836	0.8
61.02915	0.9
67.05482	1.5
69.03419	4.8
70.06577	0.9
70.94800	1.4
70.96626	0.5
71.01341	0.7
71.04984	0.6
73.02896	1.4
77.00854	0.5
79.05484	4.6
81.03404	4.9
81.07043	2.9
83.04961	2.0
84.08105	1.1
84.96007	3.2
85.02898	4.2
87.04449	1.1
88.02200	1.9
91.05446	3.5
92.05792	0.8
93.07063	0.6
95.04963	2.9
97.02879	3.1
98.97568	5.8
101.00880	0.8
102.96905	1.9
105.06997	0.6
107.04938	2.3
109.02821	0.8
109.06505	1.4
110.97572	1.5
111.04426	1.5
114.96886	0.5
116.98594	4.2
119.01898	4.1
119.04912	2.0
120.97865	1.2
121.06509	1.1
123.04408	3.4
127.03902	1.2
128.98578	2.3
131.01878	5.0
131.04910	1.4
133.03423	1.0
134.02684	1.6
134.99629	1.8
135.04378	1.8
136.06146	2.9
137.02875	0.8
137.05966	1.3
143.00145	1.2
143.01877	1.4
145.01636	0.6
145.03409	2.7
146.99664	1.8
147.01328	1.0
147.04349	1.1
149.02968	0.7
149.05983	1.5
155.01848	2.5
156.02646	1.0
157.03464	2.6
158.99655	1.6
161.01224	1.4
161.02945	2.1
165.05432	1.1
168.11530	0.5
168.36636	0.5
169.02010	0.6
169.03473	2.3
171.04996	1.0
173.01448	0.5
173.02953	3.2
175.02750	0.5
175.04456	0.9
177.00710	2.1
179.00111	0.6
180.99989	1.1
181.03439	1.2
183.05040	1.6
185.01190	1.1
185.02911	1.6
185.06627	0.5
187.04453	0.9
189.00641	1.2
193.03464	1.6
195.03230	0.9
195.05013	1.6
197.01219	1.4
197.02945	1.8
197.04779	0.6
197.06566	1.0
199.02763	0.8
199.04535	1.3
203.02327	0.6
203.03947	1.5
203.55571	0.7
204.06342	0.9
205.03645	0.7
205.05330	1.0
207.04982	0.7
207.06984	0.5
209.02972	0.7
211.02817	0.7
211.04474	3.9
213.06087	1.0
214.06070	0.7
217.03508	0.6
219.01711	2.3
219.05109	0.9
221.02982	1.1
221.04947	5.7
221.06534	0.5
223.01010	1.3
223.03015	2.7
223.04590	2.3
224.04713	0.7
224.09190	0.6
225.06091	1.0
227.02156	0.8
229.05605	0.9
231.77585	0.5
235.04527	1.4
237.02747	3.0
241.01849	0.8
241.03934	1.4
243.01645	1.3
245.05077	1.1
247.04590	1.0
253.05753	0.7
257.05045	0.7
259.06635	1.0
265.05637	2.1
270.05850	0.6
277.05704	0.7
283.06781	0.8
285.02563	0.6
301.07547	0.9
307.03424	0.5
323.04431	0.6
337.07629	1.6
355.08951	0.8
385.10986	100.0
386.11194	5.6
403.10181	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.2
55.01847	2.7
55.32088	1.0
57.03416	1.7
69.03413	3.7
70.06557	1.5
71.02841	2.5
79.05463	4.0
81.07043	1.3
82.02322	1.0
84.08136	1.3
85.02885	3.4
91.05457	3.0
95.04939	3.2
97.02859	2.3
98.97554	1.4
103.05440	2.7
105.07014	26.9
107.04948	1.2
109.02839	1.1
115.05459	5.1
117.06996	3.4
118.04143	1.2
119.04897	1.2
123.04385	3.1
124.83186	1.1
127.03874	2.2
128.06207	1.4
131.04868	2.1
132.95844	1.3
133.05536	1.8
133.06473	26.2
136.06155	4.4
143.04916	1.6
143.06013	2.3
145.06476	2.9
147.04462	1.1
149.05898	2.2
151.03880	3.4
151.07545	1.9
152.07870	1.1
155.07045	1.8
157.06520	1.4
158.97269	1.1
161.05963	44.7
162.06540	1.2
162.07739	4.4
163.03938	1.5
163.08182	4.8
167.07031	10.9
175.03957	1.1
175.06064	1.3
181.04834	1.7
189.05666	2.5
190.06180	1.5
191.06985	1.4
193.05545	3.1
193.08569	24.8
201.05421	1.1
203.05200	3.1
205.04713	15.5
205.08501	3.9
207.06590	3.8
217.04805	1.1
219.06454	2.3
221.08020	1.4
223.05855	1.5
229.04842	2.5
231.06470	2.8
233.04317	2.7
233.08101	2.3
234.98950	1.6
235.06209	1.3
237.02841	1.4
247.05763	1.7
249.07497	1.5
251.09123	9.5
252.07280	8.7
253.07494	14.2
254.07823	1.2
261.07428	4.9
263.09174	1.3
275.08975	1.2
276.30411	1.0
305.10199	1.3
337.13626	1.2
383.13370	1.0
385.10925	100.0
385.14801	24.8
386.11285	4.2
386.15512	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
55.01862	3.0
55.05492	5.2
57.03428	7.2
57.07068	1.3
59.18855	1.4
61.02920	9.7
65.03917	1.4
67.05486	8.4
69.03418	35.6
69.07039	4.4
69.45252	8.9
69.45674	4.4
70.06573	3.7
71.04974	13.4
72.08124	2.3
73.02892	5.1
77.03926	1.4
78.69266	1.3
79.05482	14.7
81.03403	14.3
81.06618	1.4
81.07046	25.0
83.04944	3.1
83.08623	1.8
84.08125	1.5
85.02889	66.0
85.06527	100.0
87.04469	7.5
91.03915	4.1
91.05470	11.9
93.07037	22.9
95.04951	3.7
95.08584	21.6
97.02876	23.9
97.06490	5.9
98.97518	1.5
99.04433	4.7
99.08065	5.5
103.05447	1.7
105.06332	1.8
105.07010	23.5
107.04896	2.1
107.08577	21.5
109.02908	6.7
109.06470	3.9
109.10147	7.7
111.04387	1.2
111.08066	40.9
115.03922	2.0
115.05408	2.6
117.06984	4.7
119.08563	14.2
121.06499	3.0
121.10102	10.0
123.04353	1.9
123.08069	6.7
125.09626	7.7
127.03890	16.6
131.08563	11.5
133.06453	3.6
133.10114	10.6
135.04398	2.8
135.08025	3.3
135.11594	4.4
137.05940	2.4
137.09592	5.4
141.15079	1.2
143.08559	2.8
145.04958	10.0
145.10083	11.9
147.04402	1.6
147.07956	1.8
147.11626	4.1
149.09583	3.2
149.10774	1.6
151.03844	2.0
151.07487	2.8
157.10120	1.9
159.11674	6.6
161.05923	5.3
161.13225	9.7
163.03854	9.5
163.07515	2.1
163.11067	3.2
163.14784	2.5
166.08565	2.7
167.07033	3.3
175.14746	1.7
177.12747	2.9
179.14256	2.9
187.11105	1.7
187.14752	7.8
189.16389	9.6
193.08536	2.4
201.05412	1.9
205.08528	1.6
205.12209	3.5
205.15759	8.8
223.05946	9.6
223.13374	2.6
223.16893	39.8
224.17308	1.9
251.09126	1.4
385.14349	14.5
385.22272	2.8
386.14725	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13468	1.2
52.60536	1.2
53.03930	1.9
55.01856	1.6
55.05505	12.6
56.55321	1.1
57.07056	5.7
60.57071	1.3
67.05494	25.3
69.03415	1.4
69.07058	24.1
69.67773	7.8
69.68188	2.9
71.04988	11.4
71.08568	1.1
79.05481	16.2
81.07047	54.4
83.04964	2.6
83.08612	11.0
85.06535	83.2
91.05472	11.4
93.07030	36.3
95.04946	2.3
95.08595	100.0
96.08904	1.4
97.06512	5.2
97.10168	6.1
99.08060	2.5
105.07014	24.2
107.08577	56.6
109.06522	3.6
109.09395	2.7
109.10144	40.6
111.08076	3.5
111.11683	3.0
113.49467	1.4
117.06960	2.0
119.08554	23.0
120.25877	1.3
121.10128	47.1
123.11695	15.2
125.09603	6.2
131.08545	5.5
133.10118	15.2
133.11044	2.3
135.04402	1.7
135.07910	1.5
135.11673	27.1
137.09717	1.3
137.13225	12.8
145.10127	6.8
147.11656	16.9
149.02339	2.7
149.13232	22.6
151.14784	2.6
157.10123	1.4
158.10852	1.3
159.11682	10.0
161.09572	1.4
161.13234	18.3
163.14801	14.3
165.12828	1.7
173.05992	1.5
173.13219	5.2
175.14793	10.2
177.16364	13.1
179.14284	2.1
181.12236	3.5
181.15858	2.7
187.14758	3.9
189.16383	13.0
191.17921	57.2
192.18248	1.8
193.05042	1.5
193.15851	10.5
195.17430	5.1
199.14812	1.7
201.16348	3.0
203.17935	12.5
205.19502	4.0
211.14995	1.4
215.17897	2.5
217.04916	3.6
217.19504	15.1
229.19496	2.4
231.21007	3.3
243.21100	3.6
247.20650	1.8
257.22598	5.8
285.25912	1.9
289.24878	1.4
293.75214	1.4
299.27322	2.4
335.27499	1.3
351.24985	2.0
385.08923	2.5
385.23685	3.6
385.34586	41.1
386.34888	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	387.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	26.1
60.23068	5.5
67.05485	5.7
69.03407	10.4
70.06586	58.0
70.94210	5.1
71.70701	6.1
72.08143	15.8
79.05497	7.6
81.03399	13.1
81.07033	10.9
84.04478	8.0
84.08121	11.9
84.96037	10.3
85.02897	13.2
86.09692	12.1
91.05470	23.4
93.07031	14.4
95.04972	11.4
97.02884	10.3
98.97562	44.1
105.07021	17.4
107.04920	18.1
112.07575	28.5
116.07076	6.2
116.98601	44.8
119.04928	8.8
123.05530	6.2
125.05899	7.3
131.04939	9.6
133.06488	13.9
134.06053	7.1
134.99629	19.4
137.05933	7.5
140.07042	22.2
149.05927	9.2
151.07498	21.9
155.02579	9.1
157.09674	9.9
158.99600	8.2
167.03398	6.6
167.06992	7.5
185.04057	5.7
203.05246	24.3
207.03235	7.8
207.06300	8.0
213.04449	8.3
219.01691	8.7
225.04250	13.7
226.10765	8.0
237.02754	19.7
237.32497	6.2
239.78918	7.0
243.05321	16.4
244.10797	8.2
250.50545	6.6
267.05356	18.5
285.06473	51.0
286.06641	6.0
303.07584	9.0
308.07996	7.2
387.11597	100.0
387.16348	20.4
405.10645	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	387.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.2
61.02928	2.1
68.59355	1.2
69.03423	7.4
69.07055	1.7
70.06568	6.2
71.70063	1.5
72.08143	2.8
73.02882	1.2
79.05492	1.7
81.03403	4.0
81.07066	2.7
83.04957	2.6
84.08134	1.7
85.02897	12.8
86.09764	1.3
87.04459	1.3
91.03937	1.4
91.05456	1.4
93.07038	3.6
95.04928	2.8
95.08614	2.7
97.02899	4.8
98.97564	4.7
99.04475	2.5
105.07009	3.4
107.04997	1.4
107.08533	2.7
109.02885	4.1
109.06537	3.5
109.10117	2.2
111.04414	1.4
116.98632	3.3
119.08582	3.1
121.02879	1.5
121.06542	2.9
121.10141	3.2
123.08070	3.4
127.03889	3.4
128.98619	1.4
131.08543	1.6
133.06558	1.4
134.99614	2.3
137.05920	1.6
137.09665	2.3
139.11179	1.5
145.04942	2.1
146.99632	1.8
149.05986	2.2
149.09653	3.0
151.03824	1.6
151.07538	4.6
151.11154	2.6
163.11160	3.5
165.12723	1.5
167.06973	3.1
167.10773	1.4
170.99648	1.7
177.05518	1.4
189.00671	2.3
189.12698	2.5
203.05264	4.9
207.06297	2.4
207.13863	5.9
207.91721	1.2
209.15417	1.5
213.04305	1.5
225.04332	2.3
225.14839	2.9
267.05350	4.2
325.81033	1.2
354.20853	1.2
357.06577	1.5
358.50848	1.4
387.10544	100.0
387.16199	17.8
388.10938	3.3
388.15811	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	2.3
53.03942	2.0
54.56745	1.5
55.01860	2.8
55.05509	3.2
57.03424	2.2
65.03920	3.0
67.05485	5.3
68.99774	2.3
69.03404	3.7
69.07060	4.3
71.70937	2.5
79.05488	5.8
81.07033	8.3
85.02898	3.2
86.09696	3.5
91.05471	6.0
93.07026	6.3
95.04979	4.1
95.08594	8.6
97.06520	5.4
103.05447	29.2
105.07015	5.6
107.04937	1.8
107.08582	5.4
109.10120	4.1
111.04435	4.0
115.05447	7.8
117.07003	4.0
119.08557	6.1
121.10149	3.0
122.03622	3.7
128.06294	2.3
129.07013	1.9
131.04913	56.2
131.08546	3.7
133.02847	2.4
133.10110	5.5
135.04393	42.5
135.07941	1.7
135.11646	3.8
137.05957	29.1
139.05415	5.4
143.04913	5.8
143.08583	2.7
145.06450	3.8
145.10136	3.7
147.04350	2.0
147.11688	1.9
149.02324	75.0
149.03362	2.9
151.03937	3.0
159.04388	5.9
159.11676	3.4
161.02379	1.7
161.05957	29.7
163.03882	4.6
167.04913	7.1
167.06990	5.9
169.10149	2.3
171.11707	3.1
173.05984	26.6
173.13243	2.5
175.03874	4.0
177.05547	2.7
179.03380	4.2
181.04922	4.8
181.06439	1.9
182.87856	1.8
183.11655	3.9
185.06020	3.9
185.13298	5.8
187.03847	8.2
187.14806	4.6
189.05424	14.8
189.06969	3.7
191.03392	4.7
191.07030	3.7
195.04387	5.9
197.05994	5.1
197.13190	3.4
201.05452	22.9
201.09061	1.8
201.16389	3.2
203.07014	1.9
205.06491	7.8
209.04501	2.4
217.04927	10.3
217.06715	2.6
219.06337	3.5
225.05415	11.8
229.04984	3.1
233.06003	6.0
235.07645	4.0
247.07668	4.3
251.06946	2.3
255.06487	100.0
256.06906	5.7
263.06989	18.5
275.06934	11.8
279.06418	8.0
283.06009	2.9
291.06473	14.8
291.77588	1.7
293.07983	4.0
303.06470	6.3
305.08023	3.8
309.07526	6.6
321.07480	15.2
323.09164	4.6
333.07541	7.8
339.08658	8.3
351.08633	13.3
357.13208	3.6
369.09482	3.5
387.14197	8.1
387.25513	3.5
387.30200	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	387.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.6
55.01864	13.7
65.03931	5.7
66.31762	1.4
67.05488	3.6
68.99783	74.5
71.15782	2.9
79.05490	5.5
81.03403	2.1
81.07042	4.2
85.02865	1.7
85.04805	1.5
88.28627	1.4
91.05473	6.5
93.07030	2.3
94.04156	1.5
95.04954	6.1
95.08578	2.6
103.05466	4.0
105.06996	3.0
107.04942	5.3
111.04442	3.6
115.05443	6.3
117.07011	7.2
119.04938	12.3
119.08552	3.1
122.03627	6.1
122.59447	1.4
123.04424	11.2
131.04922	5.2
133.02844	1.9
133.06477	3.4
135.04402	58.4
137.05959	47.0
139.03787	1.8
143.04907	6.2
145.06477	14.2
145.09975	1.7
147.04388	23.0
149.02324	100.0
150.02612	3.3
151.03922	3.3
159.04395	6.7
161.05940	7.6
163.07498	2.0
167.07030	8.2
173.05983	8.6
175.03918	4.8
175.07552	6.4
177.01823	5.5
177.05458	22.1
177.06956	2.6
179.03389	3.1
181.04950	10.4
187.03917	9.4
189.05453	3.0
189.07037	4.2
191.03378	95.7
191.07008	8.6
192.03711	3.0
193.06435	1.6
201.05418	5.6
203.07051	5.6
205.06493	10.7
205.08423	2.3
215.07150	1.9
217.04958	4.1
217.06708	2.1
221.05975	4.6
223.07518	1.7
229.04977	4.0
231.26120	1.6
233.05930	9.1
235.07529	5.5
245.05998	1.6
247.07562	5.8
249.05362	1.9
251.07040	9.5
255.06395	1.6
261.05533	2.9
263.06973	17.2
275.06985	12.5
279.06506	9.9
281.04474	5.8
282.05249	5.3
291.06506	20.4
293.08044	2.5
303.06509	13.6
305.08032	3.4
309.07532	23.6
321.03812	1.8
321.07486	18.1
323.05386	1.6
323.09204	3.2
332.57947	1.4
333.07513	10.5
339.08710	11.4
351.08533	7.7
357.09473	2.9
357.13342	7.4
369.09680	2.3
387.14484	12.7
387.24667	3.4
388.13879	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1255
Annotation	Axitinib
Peak:m/z	Relative Intensity
57.44292	0.3
60.42303	0.3
69.03413	0.3
70.88329	0.7
70.88696	0.6
85.02878	0.7
96.86763	0.3
97.02821	0.3
99.50735	0.4
102.14683	0.4
110.06008	1.5
119.01902	0.5
121.06462	0.5
129.69695	0.3
133.89116	0.4
149.05965	1.0
161.02904	0.9
165.05487	0.4
167.07066	0.7
189.05293	0.6
203.05254	8.1
207.04437	0.6
207.06255	7.1
208.09850	0.3
215.15102	0.3
225.04382	0.4
225.06947	0.4
225.08896	0.5
369.11765	0.8
387.12561	100.0
388.12924	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	387.1431
Annotation	Magnolone
Peak:m/z	Relative Intensity
51.02367	0.2
52.26285	0.2
54.37562	0.2
55.01850	0.5
55.05502	0.4
65.03925	1.1
66.04678	0.3
67.05490	0.9
69.03403	0.6
69.07049	0.3
70.79961	0.4
71.04978	0.2
77.03915	0.2
79.05489	1.5
81.03383	0.3
81.07040	1.1
82.04179	0.3
83.08618	0.2
85.02878	0.7
89.33614	0.2
91.05456	1.4
93.03433	0.2
93.06999	0.6
94.04168	2.5
95.04929	0.7
95.08580	0.5
97.06522	0.4
102.24535	0.2
103.05453	0.6
104.80379	0.2
105.07011	0.8
107.04919	0.8
107.08562	0.7
108.02078	0.3
109.06493	0.4
109.10146	0.4
110.03658	0.3
111.04450	0.2
115.05442	1.8
117.06998	1.7
119.08570	1.0
121.10110	0.4
122.03629	7.9
123.04393	0.6
123.11689	0.2
125.05965	0.3
127.03939	0.2
129.06952	0.2
131.04875	0.5
131.08517	0.4
132.05698	0.2
133.10075	0.4
135.04376	0.3
135.11661	0.3
137.05952	100.0
138.03096	0.3
138.06287	2.7
142.02541	0.2
143.04897	3.1
143.08549	0.2
145.06471	1.9
145.10104	1.1
147.08049	0.2
147.11667	0.3
151.03897	2.2
153.05492	0.2
155.06039	0.9
156.09349	0.3
157.10059	0.3
159.11708	0.6
160.05212	0.3
161.05983	0.6
167.07016	9.5
168.07353	0.4
169.10057	0.2
171.06488	0.7
171.11646	0.3
173.05954	2.9
173.13211	0.3
174.06596	0.2
175.07489	1.0
177.05379	0.2
181.04929	13.3
182.05293	0.3
183.11560	0.3
185.13217	0.7
187.14822	0.7
191.06924	0.5
197.13214	0.3
201.16362	0.4
203.06999	1.3
205.08566	2.2
209.13217	0.3
215.06995	0.2
221.08086	0.5
233.08028	1.2
235.09569	2.1
236.36322	0.2
282.09064	0.2
293.08044	0.2
317.22620	0.3
331.24094	0.2
339.12302	0.2
351.12384	0.3
357.13257	11.6
358.13586	0.8
369.13010	0.2
387.14334	23.5
387.30402	2.3
388.14590	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1431
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03923	0.8
54.54824	0.2
55.01849	0.7
55.05484	0.5
65.03927	1.3
66.04691	0.4
67.05486	1.7
69.03401	0.8
69.07054	0.5
71.04982	0.4
71.70043	0.4
72.92005	0.3
79.05485	2.1
80.55975	0.3
81.03394	0.8
81.07030	1.5
82.04169	0.3
83.04946	0.3
85.02869	1.5
85.06538	0.5
88.73388	0.3
91.05463	1.4
93.06985	0.7
94.04173	3.0
95.04939	1.1
95.08585	1.0
97.02843	0.5
97.06502	0.9
102.04628	0.3
103.05450	2.4
105.03386	0.3
105.06994	1.1
107.04927	1.8
107.08561	0.7
109.02834	0.4
109.06509	0.7
109.10130	0.3
110.03634	0.7
110.39910	0.3
111.04412	0.4
115.05405	2.0
117.07006	1.7
118.04167	0.4
119.04912	0.5
119.08569	0.6
121.10122	0.6
122.03622	8.7
123.04390	0.8
125.05981	0.5
129.06999	0.3
129.30388	0.3
131.04138	0.3
131.04907	2.2
131.08565	0.3
133.06488	0.6
133.10110	0.6
135.07993	0.5
137.05948	100.0
138.03096	0.3
138.06281	2.6
141.05408	0.3
142.02565	0.5
143.04903	2.7
145.06453	2.5
145.10081	0.3
146.03671	0.3
147.07959	0.3
148.05145	1.4
149.05930	0.5
151.03882	7.8
151.04950	0.5
153.05478	0.6
155.05972	0.4
157.06607	0.4
160.05180	0.4
161.05966	0.8
163.07497	2.5
165.05482	0.3
165.09120	0.3
167.07005	11.2
168.07318	0.3
171.06522	1.0
173.05937	2.5
175.07497	0.9
176.04645	0.6
177.05423	0.5
179.07117	0.3
181.04921	18.9
182.05278	0.6
187.07544	0.5
189.05417	0.3
191.06984	6.3
192.07523	0.4
195.06590	0.3
202.07750	0.3
203.07005	1.9
205.06799	0.5
205.08528	2.1
207.10143	0.4
215.06947	0.4
219.08089	0.5
221.07922	0.3
233.06010	0.4
233.08054	1.0
235.09547	1.9
239.03598	0.3
239.07123	0.3
245.08122	0.3
247.07384	0.3
249.05357	0.4
249.09079	0.4
264.07523	0.3
265.08566	0.5
277.08667	0.7
280.07034	0.3
293.08142	0.3
305.08054	0.4
307.09644	0.3
309.11392	0.4
319.09567	0.4
337.10620	0.8
339.12234	0.4
351.12372	0.7
355.11780	0.7
357.13254	11.6
358.13574	0.8
369.13153	1.0
387.14325	25.6
387.24988	0.6
388.14648	1.6
390.34760	0.3
412.31537	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1431
Annotation	Magnolone
Peak:m/z	Relative Intensity
51.02397	0.3
53.03920	0.5
53.92227	0.4
55.01844	1.1
55.05485	0.3
57.09541	0.3
65.03915	1.7
66.04692	0.4
67.05480	1.5
69.03388	0.9
69.07038	0.5
69.67298	0.7
69.67717	1.8
71.04981	0.4
79.05475	1.7
81.03369	0.7
81.07043	2.0
82.04176	0.6
85.02876	1.2
85.06477	0.3
90.39774	0.3
91.05453	1.8
93.06983	0.7
94.04167	3.2
95.04929	0.7
95.08591	1.3
97.06515	1.5
98.20715	0.3
103.05452	2.4
105.07002	1.2
107.04944	1.7
107.08556	0.8
109.02859	0.8
109.06494	0.4
109.10139	0.6
110.03625	1.0
111.04414	0.7
111.25639	0.3
115.05437	2.5
117.07001	1.7
118.04147	0.7
118.43742	0.3
119.08546	1.6
121.10111	0.8
122.03632	7.5
123.04380	0.9
129.06927	0.5
130.04108	0.4
131.04890	2.7
131.08527	0.5
133.02861	0.5
133.06485	0.7
133.10110	0.8
135.04376	0.7
135.11696	0.6
137.05949	100.0
138.03125	0.6
138.06284	3.7
142.02554	0.5
143.04898	3.2
143.08569	0.7
145.06453	2.6
145.10115	0.7
147.04420	0.5
147.08012	0.3
147.11685	0.4
148.04105	0.3
148.05138	1.9
151.03888	7.7
151.05051	0.8
152.04524	0.3
155.05997	0.9
157.10045	0.5
159.11707	0.6
161.05933	0.8
161.09589	0.4
163.07529	1.7
165.05446	0.3
165.09071	0.3
167.03421	0.3
167.07011	14.1
169.10005	0.3
171.06540	1.5
172.84526	0.3
173.05952	3.0
175.07506	0.9
177.05412	0.5
179.06836	0.3
181.04922	19.7
182.05319	0.7
185.13159	0.7
191.07018	7.4
192.07391	0.4
201.05359	0.4
203.06979	1.9
205.08614	2.0
233.08089	1.7
235.09613	2.4
253.09818	0.4
271.10596	0.6
299.10046	0.5
311.12695	0.7
323.26755	0.3
325.10858	0.7
351.12250	0.6
357.13284	11.5
358.13678	0.8
369.13385	0.6
369.23849	0.4
387.14377	22.6
387.30209	1.4
388.14420	1.5
390.62875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21620	0.5
53.03931	0.5
55.05507	0.5
57.03421	1.5
57.64193	0.6
61.02920	0.8
67.05491	0.9
69.03416	2.9
69.07072	0.8
70.06573	1.1
70.68341	0.9
70.68739	0.9
71.04968	1.0
72.08136	0.9
73.02895	0.6
79.05473	0.8
81.03406	1.0
81.07051	1.0
82.84788	0.4
83.04994	0.5
84.08136	0.9
85.02895	4.5
86.09690	1.4
91.05467	1.4
93.07012	1.3
95.04962	1.2
95.08581	0.9
97.02887	1.4
99.04459	0.7
105.07011	1.8
107.08599	1.6
109.02870	0.9
109.06469	0.5
114.05550	0.4
119.08560	1.4
121.06482	1.0
121.10139	1.4
123.08049	2.3
127.03897	1.3
131.08562	0.7
133.06468	0.5
133.10123	1.7
135.08011	1.1
135.11684	1.0
137.05989	1.7
137.09621	0.8
145.04901	0.7
145.10072	0.5
147.08192	0.5
147.11705	0.8
149.09605	1.5
151.07516	0.9
151.11148	0.9
161.13278	1.0
161.14571	0.4
163.11153	2.2
165.09041	0.5
167.07042	0.9
178.65332	0.4
181.12192	0.9
189.12697	2.0
191.14180	0.8
203.05252	7.6
207.09926	1.8
207.11795	0.7
207.13773	13.3
216.13811	0.5
222.40343	0.4
225.11066	1.1
225.14911	1.6
295.08246	0.5
318.57303	0.4
339.13028	0.6
369.15161	4.1
387.16229	100.0
388.16345	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	387.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
53.05649	0.3
55.05492	0.7
57.03423	0.9
61.02905	0.7
67.05479	0.6
69.03420	2.0
70.06020	0.7
70.06442	1.4
72.08144	3.7
73.02899	0.4
74.24854	0.3
76.78075	0.3
79.05497	0.7
81.03413	1.5
81.07030	1.0
83.04939	0.3
84.04476	0.3
84.08135	0.7
85.02902	3.2
86.09685	2.2
87.04441	0.4
91.05481	0.8
93.07014	0.9
93.69807	0.3
95.04958	0.8
95.08601	0.8
97.02869	1.4
99.04445	0.8
105.07043	1.4
107.04962	0.3
107.08575	1.0
109.02847	0.7
109.10152	0.7
119.08569	1.2
121.06475	0.6
121.10126	0.9
123.08044	1.2
127.03908	0.8
129.10190	0.4
130.04945	0.4
133.10124	1.1
135.08035	0.7
137.05974	0.8
138.00528	0.3
138.05501	0.5
145.04898	0.6
145.10088	0.4
147.04417	0.3
147.07980	0.4
147.11623	0.7
149.09590	0.8
151.07527	0.9
151.11165	0.6
161.02937	0.3
161.13255	0.5
163.11157	1.5
167.06969	0.5
171.14880	0.5
181.04965	0.4
181.12186	0.5
189.12598	1.4
191.14322	0.4
207.13770	9.5
225.10901	1.1
225.14859	1.1
369.15103	3.7
369.19446	0.4
387.16199	100.0
388.16565	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	387.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.3
53.03930	0.7
55.01859	0.2
55.05492	0.5
61.33368	0.2
65.03922	0.2
65.33170	0.2
67.05487	0.6
69.03400	0.4
69.07039	0.5
71.32263	0.5
79.05479	4.3
81.03391	0.5
81.07024	0.6
85.02898	0.3
89.69843	0.2
91.05465	0.8
93.07033	0.7
95.04962	1.7
95.08607	0.5
97.02865	0.3
97.06516	0.4
103.05457	2.4
104.99268	0.2
105.07016	100.0
106.07344	2.4
107.08573	0.5
109.10173	0.3
117.06957	0.3
119.04932	1.8
119.08530	0.3
121.06487	0.4
121.10121	0.4
127.03951	0.2
131.08566	0.6
133.10161	0.4
137.05959	1.3
143.08578	0.3
145.10101	0.4
147.11726	0.3
152.12413	0.2
157.10095	0.2
159.11743	0.3
161.13248	0.2
167.07028	0.4
169.10046	0.2
171.11688	0.2
175.01512	0.4
175.14722	0.2
181.05020	0.4
181.09953	0.2
183.11760	0.2
185.13304	0.2
187.14789	0.2
190.11491	0.2
197.13217	0.3
199.14870	0.2
208.12379	0.2
215.06920	0.3
222.87996	0.2
237.85490	0.2
331.13135	0.3
387.13965	0.3
387.25180	0.5
387.30386	1.0
404.11163	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	387.2005
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03921	3.8
55.05494	2.2
55.72932	1.5
56.34603	1.7
57.03421	4.2
61.02907	8.5
67.05470	3.6
69.03423	15.1
69.07046	3.5
70.06532	2.0
71.04964	6.7
71.37671	3.1
72.08128	7.5
73.02887	2.6
75.90205	1.6
79.05456	2.2
81.03403	3.9
81.07045	7.4
81.66085	1.8
83.04944	3.6
85.02892	35.3
86.09708	2.3
87.04402	2.8
91.03927	2.1
91.05453	5.1
93.07016	4.9
95.04984	2.3
95.08582	5.2
97.02853	11.0
97.06516	2.1
99.04425	2.3
105.07001	7.8
105.16849	1.5
107.08570	8.3
109.02837	5.7
109.06490	7.2
109.07195	1.5
109.10131	3.6
111.08089	2.6
115.07555	2.9
119.08563	8.7
121.06476	3.5
121.10165	8.0
123.08039	14.1
123.11637	2.0
124.38838	1.9
125.06019	2.0
127.03883	7.3
129.10260	2.4
131.08554	2.7
133.10081	7.3
135.08029	1.9
137.05952	3.7
137.09596	9.4
145.04947	8.8
145.10147	2.1
147.11650	12.3
149.09563	10.6
151.07529	12.0
151.11171	10.6
157.09688	1.8
161.09573	2.3
161.13252	3.3
163.11165	9.5
165.12749	6.9
171.11800	2.9
173.13232	2.2
174.10448	2.8
181.12180	6.3
189.12747	8.8
191.14172	8.2
201.05284	1.8
207.13776	22.0
209.15376	4.3
225.14818	100.0
226.15034	3.5
242.19026	1.9
268.51489	1.7
322.57349	1.7
387.15491	3.4
387.20108	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	387.201
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03926	3.1
54.04296	1.4
55.01846	3.8
55.05506	3.4
56.03050	1.7
56.14542	1.6
57.03419	4.4
57.07081	1.9
60.33842	1.4
61.02906	2.9
65.03928	3.2
67.05489	10.6
69.03421	12.3
69.04324	1.5
69.07051	5.3
70.06552	1.6
70.92889	5.3
71.04988	5.9
78.15341	1.4
79.05489	5.6
81.03423	5.9
81.07044	11.8
83.04967	5.3
85.02892	31.4
85.06532	2.2
86.09701	2.1
87.04433	3.5
91.03977	2.5
91.05478	7.5
93.07033	6.5
95.04974	5.8
95.08581	11.9
97.02874	10.9
97.06535	7.8
99.04437	3.9
99.08109	1.7
102.62415	1.9
103.05442	3.8
105.07033	5.8
107.04923	4.4
107.08589	6.9
109.02877	7.3
109.06512	6.3
109.10147	7.5
111.04430	3.5
111.08038	1.9
115.05445	3.2
116.59567	1.5
117.06998	2.3
119.08568	6.5
121.06486	2.8
121.10146	10.5
122.03657	7.0
123.04407	2.0
123.05573	1.7
123.08052	76.5
123.11733	3.0
125.05978	2.8
125.09612	3.4
127.03868	8.0
129.06940	1.9
131.04921	2.2
131.08563	1.9
133.06473	3.2
133.10115	4.4
135.08035	1.7
135.11731	2.0
137.05956	100.0
137.09566	11.2
138.06313	3.1
139.11151	2.9
143.04903	4.2
145.04933	7.3
145.06462	3.3
145.10188	3.4
147.11656	5.3
149.09607	7.8
151.03897	4.9
151.07498	16.4
151.11140	5.2
153.05510	2.8
161.13297	3.1
163.07430	1.9
163.11157	10.3
165.12743	2.0
167.07008	17.5
167.10669	5.0
171.11688	1.9
173.05969	2.6
175.07558	3.1
177.05371	2.9
177.12842	1.6
181.04950	16.0
181.12213	11.0
189.12711	6.3
191.07002	2.8
201.88170	1.7
203.07048	2.5
205.08623	2.7
207.13783	31.3
207.15623	2.4
225.14912	12.4
225.18535	2.2
233.08148	2.5
281.09079	2.3
285.98569	1.8
305.64349	2.2
309.08691	3.7
355.08908	2.3
355.82877	1.7
357.13361	12.2
378.41455	1.9
387.14346	29.1
387.19983	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	387.2006
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
50.01070	0.7
53.03926	2.9
55.01846	2.9
55.05491	1.0
56.88846	0.7
57.03429	3.6
57.07049	1.1
59.04978	1.2
61.02906	3.7
65.03920	1.5
67.05486	3.7
69.03416	12.3
69.07035	0.9
69.40576	8.7
70.06577	1.1
71.04972	2.6
73.02899	2.1
79.05474	4.5
81.03398	7.7
81.07038	4.2
83.04950	2.2
85.02380	1.7
85.02888	29.4
85.06512	1.8
87.04441	1.7
91.03931	1.7
91.05458	6.0
93.03409	0.9
93.07020	3.9
93.07513	0.7
94.04140	2.9
94.81216	0.7
95.04948	3.0
95.08582	4.8
97.02877	12.6
97.06508	3.0
99.04425	3.3
103.05442	2.0
105.07017	6.1
107.04935	2.9
107.08575	4.8
109.02848	8.9
109.06480	3.4
109.10117	2.4
109.82834	0.9
111.08042	1.3
115.03886	0.9
115.05409	2.5
117.07005	3.2
119.08556	4.4
121.06488	3.1
121.10130	4.6
122.03623	7.4
123.04394	1.5
123.08044	21.6
123.11666	0.9
125.05981	3.6
127.03889	9.7
131.04900	2.3
131.08531	1.6
133.06467	2.1
133.10110	1.8
135.04347	0.8
135.08049	2.0
135.11685	1.5
137.05952	100.0
138.06297	2.9
139.07478	0.8
143.04913	3.9
145.03839	1.1
145.04927	13.5
145.06374	3.8
145.10089	3.8
147.04417	1.0
147.08020	1.6
147.11613	1.9
149.09578	1.9
151.03873	6.6
151.07507	35.4
153.05386	0.9
153.09073	1.6
155.05988	1.0
159.04416	0.8
161.05952	1.1
161.09535	1.3
161.13246	0.9
163.07495	1.4
163.11156	23.0
165.09116	1.6
165.12729	1.7
167.07013	19.1
171.06607	0.9
171.11697	1.3
172.03816	0.9
173.05951	3.7
173.13191	1.0
175.07529	1.6
181.04938	15.9
181.06448	1.5
181.12202	13.7
187.07520	1.1
189.12720	8.1
191.07019	2.8
191.14243	1.9
203.07019	1.8
205.08595	3.7
207.13770	33.9
209.15257	1.2
211.87566	0.8
217.08432	1.0
225.14742	4.6
225.18413	1.1
233.08092	7.9
235.09546	1.7
279.10049	0.8
309.11102	1.2
337.10693	1.3
341.13544	1.0
351.12509	1.0
354.00748	0.9
357.13345	11.9
358.13715	1.2
366.30984	0.8
369.13290	1.4
387.14252	25.0
387.19952	18.0
388.14429	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2008
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03925	1.7
55.01856	1.5
55.05502	1.6
57.03410	1.8
59.04989	1.1
61.02922	2.0
65.03909	1.1
67.05493	4.3
69.03424	7.2
69.07041	1.1
69.42597	10.7
71.04971	1.5
72.08128	1.4
73.02896	1.5
79.05473	3.5
81.03400	4.5
81.07041	4.1
83.04971	5.1
85.02888	17.4
86.09699	1.1
87.51556	1.0
91.05457	2.8
93.07052	4.7
93.45969	1.0
94.04178	1.8
95.04955	3.1
95.08610	5.8
97.02858	5.1
97.06509	3.0
98.20580	1.7
99.04443	2.1
99.08052	1.7
103.05458	1.7
103.27807	1.1
105.07011	5.9
107.04958	2.7
107.08593	3.4
109.02904	2.5
109.06512	4.2
109.10149	2.0
111.04432	3.2
111.08117	1.1
115.05444	2.3
117.07009	1.0
119.08561	4.6
119.40106	1.3
121.06491	2.5
121.10128	6.3
122.03629	4.7
123.04442	2.0
123.08052	100.0
124.05193	0.9
124.08384	1.6
125.06017	1.4
127.03884	3.8
131.04935	2.3
133.06502	1.0
133.10098	2.3
135.08054	1.0
135.11652	2.4
137.05960	57.3
137.09593	2.0
138.06287	2.6
143.04922	5.9
145.04942	3.7
145.06409	2.2
145.10132	2.1
147.08044	1.1
147.11684	4.6
149.09613	4.4
151.03902	7.5
151.07527	4.3
151.11186	4.1
161.05980	1.2
161.09601	1.7
163.07542	1.6
163.11159	4.3
165.12715	3.6
167.07016	19.4
167.10652	3.7
170.01421	1.2
173.05946	1.7
175.07579	1.6
177.05411	1.2
181.04935	8.4
181.12178	6.2
189.12741	2.4
191.07085	1.1
195.06453	1.2
197.41731	1.0
203.06981	1.8
205.08540	1.7
207.13789	11.8
225.14836	12.5
233.08005	1.7
357.13290	8.2
369.13309	1.7
387.14447	13.9
387.19547	2.1
388.14630	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01070	0.7
53.03926	2.9
55.01846	2.9
55.05491	1.0
56.88846	0.7
57.03429	3.6
57.07049	1.1
59.04978	1.2
61.02906	3.7
65.03920	1.5
67.05486	3.7
69.03416	12.3
69.07035	0.9
69.40576	8.7
70.06577	1.1
71.04972	2.6
73.02899	2.1
79.05474	4.5
81.03398	7.7
81.07038	4.2
83.04950	2.2
85.02380	1.7
85.02888	29.4
85.06512	1.8
87.04441	1.7
91.03931	1.7
91.05458	6.0
93.03409	0.9
93.07020	3.9
93.07513	0.7
94.04140	2.9
94.81216	0.7
95.04948	3.0
95.08582	4.8
97.02877	12.6
97.06508	3.0
99.04425	3.3
103.05442	2.0
105.07017	6.1
107.04935	2.9
107.08575	4.8
109.02848	8.9
109.06480	3.4
109.10117	2.4
109.82834	0.9
111.08042	1.3
115.03886	0.9
115.05409	2.5
117.07005	3.2
119.08556	4.4
121.06488	3.1
121.10130	4.6
122.03623	7.4
123.04394	1.5
123.08044	21.6
123.11666	0.9
125.05981	3.6
127.03889	9.7
131.04900	2.3
131.08531	1.6
133.06467	2.1
133.10110	1.8
135.04347	0.8
135.08049	2.0
135.11685	1.5
137.05952	100.0
138.06297	2.9
139.07478	0.8
143.04913	3.9
145.03839	1.1
145.04927	13.5
145.06374	3.8
145.10089	3.8
147.04417	1.0
147.08020	1.6
147.11613	1.9
149.09578	1.9
151.03873	6.6
151.07507	35.4
153.05386	0.9
153.09073	1.6
155.05988	1.0
159.04416	0.8
161.05952	1.1
161.09535	1.3
161.13246	0.9
163.07495	1.4
163.11156	23.0
165.09116	1.6
165.12729	1.7
167.07013	19.1
171.06607	0.9
171.11697	1.3
172.03816	0.9
173.05951	3.7
173.13191	1.0
175.07529	1.6
181.04938	15.9
181.06448	1.5
181.12202	13.7
187.07520	1.1
189.12720	8.1
191.07019	2.8
191.14243	1.9
203.07019	1.8
205.08595	3.7
207.13770	33.9
209.15257	1.2
211.87566	0.8
217.08432	1.0
225.14742	4.6
225.18413	1.1
233.08092	7.9
235.09546	1.7
279.10049	0.8
309.11102	1.2
337.10693	1.3
341.13544	1.0
351.12509	1.0
354.00748	0.9
357.13345	11.9
358.13715	1.2
366.30984	0.8
369.13290	1.4
387.14252	25.0
387.19952	18.0
388.14429	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.8
56.05053	6.9
56.96555	22.0
57.03429	12.0
61.02903	21.6
69.03403	26.7
69.07078	5.7
70.06572	9.5
71.04987	10.5
71.34383	4.5
72.08141	18.9
73.02905	15.7
77.00894	6.7
81.03399	13.0
84.04482	31.7
84.08112	25.7
85.02892	67.1
86.09695	36.8
87.04475	7.7
90.27705	5.9
91.05453	7.0
95.04971	7.5
97.02914	25.5
98.97572	12.3
102.05524	11.4
103.05449	8.7
108.08109	14.9
109.02879	5.9
111.04380	6.0
115.08670	9.5
116.98614	11.1
119.01928	33.1
121.06488	8.1
123.04406	6.3
127.03891	21.1
128.98566	8.4
129.06581	8.4
129.10217	12.9
130.05003	14.9
131.01901	19.1
132.10187	7.9
133.03519	8.5
134.99730	5.9
135.04417	8.0
143.01900	10.2
143.08162	10.7
146.99626	9.2
147.07681	5.7
149.05995	17.6
152.07085	13.8
155.01889	9.2
157.03470	12.9
158.99641	8.1
161.02939	15.1
162.02960	5.3
163.03845	6.2
167.06970	5.4
169.03517	8.8
171.04948	7.1
173.02974	15.2
175.04488	8.7
177.00687	9.2
183.04987	6.9
185.02884	10.2
191.03893	6.9
197.12878	5.1
199.04446	7.8
203.04007	9.6
215.04102	6.3
219.01819	6.6
221.05035	7.7
227.03952	6.1
229.05714	6.9
237.02803	9.5
240.09666	11.2
245.05051	13.1
247.12915	6.5
255.03874	9.1
258.10812	8.2
263.06024	11.6
274.18674	7.8
277.07712	6.6
299.06821	10.8
299.57513	5.5
314.12360	6.0
320.11438	5.5
389.07898	28.1
389.12579	100.0
390.13135	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	389.158
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
51.64251	2.3
53.03936	3.2
55.01863	35.6
55.05492	6.4
57.03428	2.2
65.03922	12.7
67.05506	10.8
69.03430	13.4
69.07052	9.8
70.06599	15.7
71.04975	3.4
73.02914	2.9
74.40608	2.2
79.05478	13.9
81.03403	12.0
81.07061	12.7
83.04957	3.5
83.08589	4.7
85.02898	15.5
85.06525	5.0
86.09683	8.1
91.05458	13.1
93.07049	10.8
95.04969	13.4
95.08593	16.8
96.10091	2.2
97.02869	4.6
97.06510	6.4
98.20753	4.6
99.04419	4.8
99.08055	3.3
100.11227	4.2
103.05438	18.1
105.07016	12.7
107.04942	14.5
107.08565	7.2
109.02863	10.8
109.06506	6.0
109.10121	7.6
110.03648	5.3
111.04424	7.9
115.05437	4.4
117.06994	5.6
119.04904	5.0
119.08553	10.2
121.06491	6.6
121.10121	6.7
122.03652	3.3
123.04394	8.9
124.05203	2.9
125.02275	2.9
125.05975	3.3
125.09669	3.5
127.03900	7.3
128.06198	5.5
129.05476	2.9
129.06976	16.2
130.07278	2.5
131.04909	20.5
131.08534	8.5
133.06491	5.8
133.10115	8.4
135.04387	4.0
135.08008	3.1
136.07588	5.7
137.02426	2.5
137.05949	54.5
138.06284	4.0
139.11153	2.6
141.06970	5.4
142.02655	3.7
143.08511	4.2
145.06506	6.7
145.10095	6.6
147.04356	5.5
147.11594	4.1
149.02295	7.4
149.05937	10.1
151.03882	10.8
151.07495	3.6
153.05385	3.0
154.04941	4.7
155.08517	2.7
157.06462	10.3
157.10095	4.0
157.99702	2.4
158.56079	2.7
159.07983	3.2
159.11641	6.1
160.05128	4.1
161.05956	7.3
161.09618	4.5
163.03900	4.8
163.07518	11.2
165.05476	3.1
167.07013	29.2
167.88489	2.3
171.06509	8.2
173.05934	2.7
173.13287	6.2
174.06696	7.5
175.07520	13.5
177.05452	43.1
177.09148	3.5
179.07025	2.9
179.08560	2.7
181.04933	100.0
183.06522	7.5
187.07426	5.6
189.09032	20.5
191.06996	4.2
193.04878	2.4
199.14769	3.0
201.09077	4.9
206.07324	4.1
209.08028	50.5
209.15312	2.9
217.06616	2.5
217.08603	8.1
218.07182	4.9
219.08139	3.9
219.10031	20.0
227.19951	3.4
234.06726	3.5
235.09744	3.0
241.09911	2.5
246.06813	4.1
247.07320	4.1
249.09146	5.6
261.09027	6.1
263.06790	4.0
277.08508	19.8
278.09274	5.1
279.10031	4.0
287.10333	7.1
291.10080	3.0
293.11685	3.8
305.11230	4.5
309.11127	8.2
321.11261	4.6
329.11023	5.1
339.12341	21.5
341.13858	5.3
353.13898	2.5
357.10553	11.0
359.14917	3.0
371.14951	18.4
389.16104	43.0
389.27939	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	389.2164
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
53.03936	4.8
55.05503	8.3
57.03430	4.5
61.02910	7.2
62.45618	4.2
67.05487	16.2
69.03419	21.1
69.07059	8.2
69.88779	3.7
70.06580	35.7
71.04987	19.0
71.06100	12.7
71.10944	10.9
71.11327	3.9
72.04508	3.9
72.08161	5.8
73.02903	6.2
79.05492	9.2
81.03388	17.1
81.07030	18.0
84.04471	3.9
85.02898	34.6
85.06527	11.7
86.09682	30.1
87.04436	5.6
91.05459	12.5
91.20877	4.0
93.07043	28.8
95.04951	100.0
95.06036	6.2
95.08586	13.7
97.02872	15.9
97.06509	11.1
98.97570	4.8
99.04426	34.0
99.08092	11.7
103.05391	4.2
105.06997	21.5
107.04906	4.3
107.08584	32.5
109.02874	7.8
109.06516	5.1
109.10153	47.9
111.08087	6.8
113.07088	5.5
115.07533	11.2
119.08566	11.9
121.06462	7.2
121.10131	12.9
123.08122	4.0
123.11685	25.8
127.03907	17.2
129.06960	7.0
131.08554	12.0
132.04407	4.6
132.08061	7.5
133.06471	6.2
133.10107	93.8
135.08063	8.2
137.05920	7.8
139.11185	7.9
141.10172	7.7
145.04926	5.3
147.11667	4.6
149.05966	6.8
149.09683	5.4
149.13281	5.7
150.09132	4.5
151.03902	5.8
151.07495	5.1
151.11150	20.7
153.09077	44.4
157.06462	12.3
162.09114	7.5
163.07591	4.7
164.10701	9.6
166.08656	4.5
167.07004	16.2
169.12225	9.9
173.13243	27.7
178.04968	45.2
185.05928	10.4
187.05051	14.9
191.14273	43.1
192.10132	12.4
205.06023	8.3
206.04437	11.1
209.09904	4.5
209.15331	81.4
210.11232	9.8
227.08653	4.0
227.10638	21.3
227.16364	5.6
228.12265	12.6
253.24509	4.3
257.09100	5.1
259.10754	7.2
278.34845	4.7
302.11377	7.9
336.23724	3.8
345.11740	9.2
352.99493	4.4
389.17664	39.4
390.17612	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2163
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
53.03935	3.0
55.01593	1.9
55.01864	37.7
55.05499	3.3
56.96552	1.9
57.03420	1.5
61.70299	1.1
65.03927	8.5
66.54645	1.2
67.05491	5.6
69.03407	8.4
69.07044	2.6
70.06568	3.2
71.04970	1.6
71.17173	3.4
79.05466	5.4
81.03401	3.6
81.07025	3.9
82.04173	4.5
83.04955	7.2
84.08135	1.5
85.02901	11.2
86.09676	5.1
91.05457	5.5
93.07027	5.7
93.17072	1.3
95.04954	7.0
95.08575	5.7
97.02884	3.2
97.06485	4.6
97.10118	1.8
99.04450	1.6
99.08044	3.0
101.37334	1.3
103.05457	15.0
105.06979	3.5
107.04917	9.9
107.08572	6.7
108.02078	2.6
109.02853	2.1
109.06468	2.8
109.10126	5.9
110.03638	3.7
111.04430	2.2
111.08082	2.7
115.05421	2.5
117.06970	3.7
121.06458	4.6
121.10114	5.4
122.03627	4.0
123.04397	3.8
123.08072	1.5
123.11693	1.6
125.05993	3.7
125.09615	15.0
127.03912	1.9
128.06151	2.0
129.07008	8.9
131.04890	19.4
131.08530	1.7
133.10124	4.5
135.08022	2.0
137.05951	34.8
138.03123	3.2
138.06297	1.4
139.07513	1.7
142.02570	3.2
145.06459	3.8
149.05962	12.6
149.09596	20.7
149.13205	2.0
151.03864	1.7
151.07515	1.7
151.11131	4.3
153.05472	2.3
153.09084	4.3
155.07004	1.6
157.06448	7.1
159.04340	1.5
160.05185	2.9
161.05956	3.8
163.07565	5.9
167.07022	22.4
171.06487	7.1
171.07765	1.3
173.13174	2.0
174.06737	3.2
175.07504	12.2
175.14601	1.3
177.05437	37.1
181.04930	100.0
182.05254	3.0
183.06502	2.3
187.07494	2.0
189.05330	1.5
189.09038	9.3
191.07031	1.5
191.14284	9.3
205.08578	2.6
209.08052	56.5
209.15334	30.0
210.08415	3.2
210.15445	1.3
217.08549	7.3
227.16331	5.2
235.09555	3.6
249.09138	1.5
277.08560	2.0
293.11871	1.5
321.11157	1.4
341.13721	4.5
353.13736	1.4
371.14899	6.2
389.15866	33.2
390.15991	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
53.15630	1.1
55.01867	10.1
55.05498	11.4
56.82755	1.2
57.03430	6.7
57.07055	1.6
61.02912	5.0
67.05492	12.2
68.99780	2.7
69.03420	23.7
69.07061	58.7
70.06589	1.8
70.27425	5.7
71.04992	6.4
73.02912	3.8
73.06559	1.7
79.05490	12.8
81.03411	10.7
81.07051	20.4
83.04961	5.2
83.08607	3.3
85.02896	60.1
85.06543	4.5
87.04455	3.2
91.03951	2.8
91.05473	3.6
93.07029	20.1
95.04970	2.8
95.08594	17.2
97.02873	16.5
97.06522	12.5
97.10178	8.0
99.04449	3.5
99.08099	1.9
103.05472	3.8
105.07018	5.6
106.07358	1.6
107.08578	5.4
109.02869	10.2
109.10127	6.9
111.04425	1.4
111.11681	2.3
117.07043	1.8
119.04931	2.8
119.08570	4.9
121.10116	16.2
123.08022	1.3
123.11679	2.5
125.06004	4.4
125.09598	4.5
127.03908	12.3
131.04918	5.8
131.08583	2.3
133.10123	1.6
135.04408	4.4
135.08047	2.2
135.11696	6.5
137.05949	7.6
137.13293	1.7
138.06284	2.5
139.11172	7.8
145.04945	6.2
145.06386	2.3
145.10127	2.1
147.04416	1.4
147.11607	1.6
148.13974	1.3
149.02391	1.5
149.13242	1.8
151.03894	14.8
161.05882	1.3
163.03885	2.0
163.07472	3.3
165.05470	1.2
167.07010	3.7
167.83331	1.4
175.07515	2.8
175.11150	1.3
175.29185	1.2
181.04939	5.2
189.05434	1.5
191.17883	2.4
193.04991	6.5
193.12146	1.8
207.06282	1.3
209.08130	1.9
209.18941	7.1
225.06648	1.5
226.06909	2.1
227.20033	100.0
228.20370	2.0
230.06589	1.3
258.30200	1.2
265.08487	1.4
269.21066	4.6
281.21027	1.8
296.07288	1.8
311.09268	2.2
311.22177	2.0
314.08429	2.2
323.09088	2.3
329.09796	1.9
335.22156	1.5
353.10022	1.3
353.22983	1.6
359.14349	1.4
371.10709	4.2
389.11920	4.4
389.16251	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.32
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.05499	7.2
57.07063	3.9
67.05497	9.8
68.80453	0.8
69.07056	10.6
71.08597	0.8
71.71404	1.4
71.71783	0.9
79.05487	4.9
81.06610	1.1
81.07048	19.1
83.08609	6.1
86.19103	0.8
91.05465	10.4
93.07029	14.1
94.55978	0.7
95.04956	1.5
95.08002	1.5
95.08591	26.1
97.06488	0.8
97.10149	2.4
105.07011	20.1
107.08572	19.0
109.06490	1.1
109.10142	17.8
117.07016	5.3
119.08563	49.3
121.10130	16.3
123.11693	12.6
128.06200	2.5
129.06934	4.4
130.07732	2.6
131.08551	23.0
133.10109	26.8
135.11685	8.6
137.13210	4.3
141.06935	1.5
142.07759	2.4
143.08537	19.3
144.09317	3.3
144.95526	0.8
145.10101	72.1
146.10469	1.8
147.11664	12.6
149.13242	9.2
155.08507	5.3
156.09348	3.5
157.10092	20.3
158.10875	5.2
159.11679	36.4
160.12109	1.2
161.09560	0.8
161.13214	8.7
163.14819	7.3
167.08498	1.5
168.09273	2.1
169.10092	7.6
170.10847	4.2
171.10339	1.5
171.11674	13.7
172.12476	4.3
173.13232	25.5
174.13837	0.9
175.14821	7.8
177.16344	8.3
179.08507	1.5
181.10126	4.6
182.10854	1.6
183.11652	12.1
184.12346	1.7
185.11598	0.6
185.13222	14.8
187.14793	100.0
188.15137	3.6
189.16344	16.2
191.06946	0.9
191.17921	4.1
193.10107	3.0
194.10829	2.1
195.11671	5.1
196.12460	3.0
197.13243	7.7
199.14792	14.6
201.16371	22.0
202.16769	1.0
203.17885	6.5
207.11731	3.8
208.12405	1.9
209.13278	5.5
211.14799	9.2
213.16348	19.8
215.17964	11.3
217.19508	3.3
219.11668	0.9
220.12370	1.1
221.13272	2.1
222.13960	1.2
223.14799	8.0
225.16333	7.1
227.17908	7.7
229.19395	1.1
231.21037	1.1
233.13106	0.9
235.14743	3.5
236.15405	0.8
237.16370	7.5
238.16917	0.8
239.17940	6.0
241.19446	1.9
249.16382	3.7
251.17932	5.1
253.19475	4.4
263.17892	2.7
265.19452	6.1
267.21030	2.8
277.19406	4.3
279.21072	2.8
281.22656	2.4
291.21063	3.5
293.22601	8.4
303.21033	1.2
305.22629	3.7
319.24203	7.2
331.24243	1.2
333.25760	4.1
346.26324	1.9
347.27289	2.8
361.28867	1.0
389.31958	97.3
390.32309	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	390.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.7
56.05014	6.4
67.05508	3.4
69.03424	8.1
71.64562	5.8
79.05470	8.6
81.03390	8.8
81.07049	4.1
82.06581	3.8
84.04475	4.8
85.02902	20.6
86.06071	3.5
86.34526	3.0
91.05460	11.2
93.07030	12.3
94.06553	10.2
95.04958	10.1
95.08609	3.7
96.04458	3.0
97.02872	7.2
97.06528	6.2
105.07017	6.4
106.06541	5.1
107.04916	7.4
107.07335	4.4
108.08112	11.7
109.06483	9.6
109.08804	3.3
110.06004	3.5
112.07584	13.1
117.06952	3.4
119.08564	11.1
120.08093	20.5
121.06478	39.8
121.07344	4.2
121.08825	4.2
122.05984	4.5
122.09665	5.9
123.04398	4.3
123.08037	6.5
124.07578	6.1
125.05988	6.9
127.03906	4.0
131.07298	7.3
132.08070	9.9
133.06483	7.3
133.73160	3.1
134.09631	6.4
136.07590	23.8
136.11176	5.0
137.05974	7.1
137.08334	15.9
138.09123	6.8
139.07523	5.1
146.09642	35.7
147.06841	4.1
147.08028	11.9
148.07549	69.6
149.05963	81.2
149.08374	6.1
150.09108	8.4
151.07524	8.5
162.09108	25.6
163.09927	4.9
164.10710	26.6
167.07027	47.3
174.09126	13.0
175.07527	4.8
180.10335	3.5
183.06612	3.3
185.08086	4.5
192.10179	74.4
193.08585	6.9
206.10240	12.4
210.11229	100.0
212.12883	4.5
228.12265	48.9
390.17453	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	390.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	5.9
55.01851	4.3
55.05494	5.1
60.04501	12.3
61.64779	3.2
67.05501	7.3
69.03411	11.8
69.07040	4.0
70.06577	44.5
71.04969	8.7
71.06094	11.6
72.04485	5.5
72.08139	5.9
79.05479	11.9
81.03374	10.4
81.07022	14.3
83.04916	5.4
84.04476	10.9
84.08121	4.7
85.02883	23.6
85.04623	3.9
86.09682	19.6
87.09990	6.2
91.05466	12.6
93.07024	23.3
94.06556	4.3
95.04964	33.5
95.08591	7.2
96.05310	4.6
97.02865	10.7
97.06512	8.4
99.04424	9.4
99.08059	3.7
100.07589	8.7
103.05457	4.2
105.07042	17.6
107.04942	12.3
107.08562	6.4
108.08070	7.7
109.02892	3.7
109.06483	6.4
109.10159	9.9
110.07168	4.1
112.07558	5.6
113.07108	6.4
120.08057	10.4
121.06476	25.3
121.10107	6.9
122.09627	10.8
123.08061	5.1
124.07539	10.5
131.08543	5.4
132.04414	4.9
132.08012	5.1
133.06473	15.3
133.10110	8.1
134.10426	9.2
136.07544	4.8
136.11229	3.8
137.05943	6.7
137.08337	6.4
138.09100	10.4
139.11211	3.7
145.04842	4.1
146.09625	12.3
148.07564	5.2
149.05980	17.3
149.14879	4.0
150.09099	13.9
151.07509	7.6
153.09074	4.1
161.05933	4.9
162.05525	3.8
162.07632	5.1
162.09084	13.3
164.10683	16.8
166.08562	6.9
167.07034	45.1
174.09065	7.1
174.13589	6.0
177.12779	3.9
178.04979	44.4
180.10168	5.1
187.04961	13.1
192.10165	49.6
192.14595	8.2
201.12312	4.2
205.06053	16.3
206.04462	11.2
209.15355	4.1
210.11183	40.5
210.15733	8.6
228.12419	29.2
259.10675	9.2
302.11282	8.9
303.09705	4.1
333.91852	3.8
345.12024	8.5
390.17667	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.8
55.05482	7.3
55.64930	5.5
57.03415	7.8
67.05472	6.6
68.27456	5.3
69.03410	17.1
70.06578	11.8
70.29945	11.9
70.30349	11.3
79.05471	13.4
81.03403	10.2
81.07018	15.6
81.62579	5.0
83.85595	5.2
84.04487	6.8
84.08134	6.6
85.02880	24.0
86.06038	5.5
91.05453	8.3
91.39541	5.9
93.07042	7.3
93.25072	5.0
94.64188	4.8
95.04939	12.0
95.08607	5.5
96.08104	5.1
97.02859	16.9
100.69973	5.2
103.05463	10.2
104.40353	4.9
105.07016	65.9
107.08582	8.2
109.02865	6.8
115.05476	10.8
116.98582	6.7
119.04937	7.5
121.06416	7.1
124.07539	14.1
131.04893	6.1
133.06450	47.9
133.10161	5.7
137.05948	7.0
150.27364	6.4
151.07545	7.2
161.05949	100.0
192.10197	10.9
193.08557	77.5
210.11220	24.5
211.09581	14.4
228.12271	22.7
271.56686	7.4
276.38605	6.4
325.84036	6.1
355.38522	6.4
390.17105	15.7
391.15378	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	391.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67693	0.4
55.05487	1.3
57.07061	0.9
61.19088	0.4
67.05477	0.8
69.07037	1.0
69.54150	4.3
71.08612	0.9
78.59967	0.4
79.05467	1.4
81.07042	2.6
86.09695	0.4
87.72502	0.4
91.05460	1.1
93.07027	1.8
95.08588	1.9
98.21449	1.0
105.07052	2.5
107.08575	1.6
109.10134	1.8
119.08545	2.5
121.10098	1.3
128.34381	0.5
131.08542	1.5
133.10133	1.3
135.11710	0.7
140.24706	0.5
143.08594	0.8
145.10104	1.6
147.11679	1.0
149.02330	5.8
155.08574	0.6
157.10089	1.1
159.11653	1.1
161.13177	0.6
171.11679	1.3
173.13240	1.2
185.13206	0.6
187.14822	1.4
201.16402	0.8
211.14813	0.6
213.16350	0.5
229.19478	0.5
321.16843	2.2
335.20380	0.7
350.11780	0.5
370.73022	0.5
391.24490	100.0
391.33218	2.4
392.24814	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	391.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32944	3.1
52.94894	3.2
55.05504	16.9
57.07065	10.2
59.05012	5.2
67.05491	24.1
69.07063	20.0
70.06577	3.9
71.04990	3.1
71.08614	5.6
71.70873	8.2
73.89743	3.3
79.05491	28.6
81.07049	53.3
83.04970	5.8
83.08606	6.7
85.06509	4.0
91.05461	41.7
93.07034	49.8
95.04951	41.1
95.08590	44.3
96.24726	4.0
97.06535	10.7
97.10114	3.6
103.05459	6.1
105.07014	60.7
107.08574	44.5
109.06500	12.1
109.10130	16.9
115.05431	6.1
117.07005	21.9
119.08560	69.1
121.06485	12.4
121.10108	31.7
123.11711	9.3
128.06207	12.3
129.06978	12.3
130.07787	5.2
131.08543	25.7
133.10114	24.5
133.68922	3.1
134.26639	3.6
135.08029	7.3
135.11679	10.7
137.09616	4.3
141.07001	6.5
142.07779	15.9
143.08540	35.3
144.09338	7.9
145.10114	57.7
147.07988	9.1
147.11690	12.6
149.02325	41.4
149.09599	6.6
149.13269	4.0
155.08522	19.4
156.09367	12.5
157.10104	40.6
158.10979	4.3
159.08057	11.5
159.11690	20.1
161.09654	9.7
161.13264	4.8
163.14830	4.7
165.07047	8.5
167.08592	10.4
168.09274	5.5
169.10101	27.0
170.10876	5.4
171.11713	28.5
173.09653	6.0
173.13153	21.2
179.08556	15.5
180.09271	6.1
181.10098	16.7
182.10895	7.4
183.11676	21.3
185.09619	3.7
185.13237	13.0
187.11174	7.0
187.14813	16.7
189.16316	3.2
191.08519	3.7
191.14383	5.6
192.09319	8.5
193.10115	16.7
194.10913	9.4
195.11653	20.5
196.12433	4.6
197.13211	20.4
199.11172	5.5
199.14844	10.7
201.16391	4.5
205.10060	7.7
206.11014	5.1
207.11705	20.9
208.12369	7.1
209.13263	20.8
211.14804	13.2
213.16405	10.7
215.14363	4.4
218.10809	6.1
219.11746	6.1
220.12369	5.1
221.13220	13.7
222.14047	4.2
223.14778	11.0
225.16415	4.0
229.19424	3.5
231.11664	6.6
232.12343	4.9
233.13269	11.9
234.14169	6.3
235.14792	10.5
237.16469	6.1
239.14107	4.4
239.18040	5.0
243.11740	7.1
245.13306	7.0
246.13989	4.2
246.80099	4.1
247.14812	11.1
249.16330	13.0
258.14008	5.2
259.11230	3.9
259.14856	5.3
261.16498	5.8
263.18036	8.3
264.18744	3.3
265.19592	5.0
273.16302	5.2
279.17435	5.4
281.18954	4.6
282.19611	4.4
287.17908	4.2
291.17422	5.4
297.18539	4.3
317.19189	5.0
329.32431	5.1
335.20029	4.1
363.26730	4.3
373.24911	18.8
391.15088	5.9
391.26181	100.0
391.33139	20.1
392.26575	5.7
404.24149	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	391.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	5.9
55.01855	7.8
55.05233	5.6
55.05498	87.2
57.03426	31.4
63.30875	2.8
67.05502	43.6
67.17742	3.3
67.78465	3.4
69.03420	4.0
69.07050	9.8
69.48049	33.1
71.04986	7.8
71.08595	3.4
71.40572	2.7
73.21362	2.7
78.49308	3.2
79.05487	26.0
81.07039	29.0
83.08611	45.6
85.06544	31.6
91.05468	22.8
93.07028	19.0
95.04398	3.4
95.04945	54.8
95.08577	26.1
105.07008	21.8
107.04939	4.1
107.08569	22.7
108.33495	3.3
109.06497	68.5
109.10168	7.3
113.05986	94.0
117.06971	10.1
119.08556	14.7
121.06451	3.7
121.10096	9.2
129.06935	7.1
131.08554	20.2
133.10081	12.9
135.08031	56.3
135.11662	10.8
137.13252	5.8
143.08522	7.4
145.10085	15.5
147.08057	4.8
147.11641	7.4
149.02315	28.9
149.09615	5.8
149.13191	5.9
157.10086	10.0
159.08000	4.0
159.11636	10.6
161.09575	6.2
161.13199	3.9
163.11125	5.9
169.10132	4.7
171.11621	7.8
173.13298	5.6
173.90930	3.0
175.11197	3.9
175.14830	4.9
177.12686	4.2
183.11630	4.1
185.13225	7.3
187.14801	6.2
195.11694	3.6
199.14717	5.6
201.12637	4.0
201.16241	3.4
211.14766	5.1
213.16429	5.8
217.15891	23.4
241.19563	3.8
255.17151	4.2
267.20996	3.2
273.18530	28.0
291.19473	100.0
295.24219	3.7
316.59842	3.1
391.33594	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.05500	8.4
55.42448	0.6
57.03430	1.6
57.07058	2.5
57.32506	0.7
65.03922	1.0
67.05495	17.0
67.45836	0.7
69.03416	2.4
69.07061	9.0
69.71606	3.8
69.72005	1.3
71.04980	1.3
76.07629	0.7
79.05479	11.4
81.03413	1.6
81.07045	21.8
83.04964	2.9
83.08614	3.4
85.02911	1.0
85.06510	1.2
91.05466	16.2
93.07027	18.9
93.07584	1.4
95.04974	3.9
95.08595	31.9
97.02886	2.0
97.06513	3.8
97.10159	1.6
98.21516	1.2
98.98454	1.1
99.04417	1.1
99.08082	11.1
100.11235	0.7
103.05451	1.6
105.07016	29.0
106.07309	0.6
107.04949	1.0
107.08578	31.4
108.11369	0.7
109.06532	3.2
109.09398	1.5
109.10140	27.0
109.26517	0.8
111.04408	0.7
111.08073	2.2
113.00001	0.7
115.05450	1.6
117.06992	6.5
119.04855	0.7
119.08563	57.1
120.08084	1.6
121.06482	13.0
121.07301	0.9
121.08430	0.7
121.10126	21.3
123.04467	0.8
123.08041	3.5
123.11676	5.6
125.09629	1.9
127.03931	1.2
128.06229	3.1
129.06973	7.7
130.07771	2.0
131.08549	28.6
133.10114	19.1
135.08043	12.0
135.11664	9.6
137.06003	0.8
137.09608	8.2
137.13275	1.4
141.06906	3.5
142.07761	7.1
143.07410	1.3
143.08542	20.7
144.09309	4.3
145.06425	1.2
145.10100	37.8
146.10497	0.9
147.07990	5.7
147.11665	11.6
149.02339	3.3
149.09622	2.4
149.13232	8.0
151.03864	0.7
151.11159	1.9
153.06970	1.1
154.07782	1.8
155.08537	11.5
156.09326	10.3
157.10103	25.9
158.10858	5.2
159.08070	2.1
159.11681	25.3
161.09602	6.8
161.13246	11.0
163.07457	1.3
163.11166	2.9
163.14807	6.5
165.07066	1.2
167.08560	3.0
168.09328	3.0
169.10109	14.9
170.10852	4.7
171.11665	29.1
172.08771	0.9
172.12303	1.7
173.09608	1.7
173.13231	28.5
174.13525	0.9
175.11147	2.0
175.14783	12.9
177.12747	1.9
177.16386	2.5
178.13214	0.7
179.08551	1.9
179.14294	1.5
180.09277	1.3
181.10121	5.7
182.10902	5.1
183.04143	1.1
183.11670	17.1
184.12477	1.8
185.09602	1.4
185.13239	25.4
186.13770	1.1
187.11192	2.5
187.14795	35.7
188.15283	1.4
189.12720	11.2
189.16391	2.8
191.06987	0.9
191.14325	3.6
191.17891	0.8
193.10109	2.5
193.16008	0.8
194.10881	1.4
195.11681	7.1
196.12494	1.7
197.13223	24.5
198.13971	2.3
199.11197	0.9
199.14795	28.4
200.15227	1.0
201.12762	2.9
201.16354	19.2
203.14342	3.0
203.17856	1.0
205.10219	1.2
205.15752	0.9
207.11707	3.7
208.12477	2.2
209.13235	9.0
210.14148	1.1
211.11249	0.7
211.14774	18.4
212.15546	2.2
213.12907	1.6
213.16353	14.5
214.16841	0.7
215.14297	4.3
215.17880	1.7
217.15887	4.6
217.19553	0.8
219.11754	1.3
219.17490	1.5
221.13268	2.8
223.14795	5.9
224.15514	0.8
225.16380	8.4
227.14261	2.3
227.17961	4.8
229.12242	1.3
229.15752	3.5
233.13289	2.5
234.14064	1.0
235.14771	3.0
237.16376	5.5
239.17902	12.8
240.18353	1.0
241.15845	1.3
241.19496	6.0
243.17375	3.3
243.75221	0.7
247.14973	1.4
249.16373	3.4
251.17952	5.6
252.18596	1.3
253.15764	1.4
253.19511	6.4
254.20273	3.6
255.17455	0.9
255.20984	1.9
261.16483	1.9
262.17209	0.8
263.17947	3.4
265.19449	6.2
267.17944	1.1
267.21039	15.5
267.23810	1.1
269.19000	2.0
273.16336	0.9
274.17209	1.0
275.17673	1.4
277.19519	2.6
279.21027	2.7
281.19049	1.4
281.22531	1.0
283.20593	1.8
289.19449	1.1
291.21033	1.6
293.19046	1.0
293.22415	1.4
295.20648	2.5
297.22195	1.1
303.21024	4.5
317.22726	2.5
319.24213	5.1
321.22128	4.8
321.25568	1.2
331.24106	1.2
333.25931	1.2
335.23618	2.4
338.05682	0.7
349.25204	1.5
363.26572	1.4
363.30533	2.4
373.28833	11.2
391.29941	100.0
392.30371	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	391.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.05502	7.4
55.81818	0.7
57.07057	1.9
57.80853	0.9
65.03912	1.7
67.05495	12.0
67.67092	0.6
69.03402	1.2
69.07057	6.1
70.58723	0.7
71.70226	1.1
71.70603	0.8
77.03934	0.7
79.05473	9.0
81.03416	1.0
81.06600	1.3
81.07044	16.3
83.04977	0.9
83.08604	3.2
83.32135	0.6
85.06511	1.1
91.05466	12.4
93.07027	15.3
95.04958	1.2
95.08591	26.6
95.09198	1.5
97.06503	1.2
97.10142	1.2
99.08078	10.2
103.05521	0.7
105.07010	20.5
106.07359	1.1
107.08575	27.5
109.06500	1.9
109.10136	21.3
111.08055	2.1
111.39346	0.7
113.09692	0.7
115.05450	2.0
117.06988	4.4
119.08562	45.9
120.08905	1.6
121.06492	10.2
121.10118	16.4
123.08046	3.0
123.11702	5.7
125.09620	1.2
128.06219	2.9
129.06973	6.0
130.07787	1.8
131.08543	23.1
133.06360	0.8
133.09105	0.5
133.10103	15.4
134.10483	0.9
135.08020	8.7
135.11665	7.8
137.09595	7.0
137.13217	1.9
141.06990	3.4
142.07736	5.1
143.08531	14.6
144.09299	2.3
145.10100	31.9
146.10512	0.8
147.08029	4.6
147.11662	9.1
149.02367	2.3
149.09560	2.0
149.13199	5.6
151.07654	0.8
151.11205	2.2
151.14783	0.9
153.06927	1.2
154.07780	1.5
155.08530	9.0
156.09325	6.1
157.10092	22.8
158.10870	3.2
159.08012	1.7
159.11652	21.4
159.12950	1.3
160.12051	0.9
161.09602	6.0
161.13245	10.0
163.11127	1.2
163.14809	5.8
165.06998	1.1
167.08545	2.2
168.09317	1.8
169.10126	13.6
170.10909	4.8
171.11662	23.0
172.12341	0.9
173.09618	0.9
173.13239	23.9
174.10081	0.7
175.11168	2.0
175.14807	11.0
177.12746	1.6
177.16409	2.8
179.08534	0.9
181.10062	4.5
182.10826	4.0
183.11656	17.3
184.12331	1.3
185.13229	22.6
186.13724	0.8
187.11177	1.7
187.14789	35.5
188.15175	1.0
189.12737	7.5
189.16382	2.6
191.14198	3.8
193.10052	1.6
193.15744	0.9
194.10898	0.8
195.11650	7.3
196.12436	3.0
197.13226	21.4
198.13942	1.6
199.14783	21.5
200.15218	1.1
201.16359	18.8
201.18172	1.4
203.14291	2.9
205.15761	1.3
207.11678	2.9
209.13211	7.2
210.13966	1.1
211.14761	16.6
211.16608	1.1
212.15393	2.5
213.12819	1.1
213.16333	12.9
215.14247	3.5
215.17970	2.1
217.15933	3.8
219.11737	1.7
219.17392	0.8
221.13240	4.0
222.14021	1.0
223.14795	5.6
224.15688	0.8
225.16325	5.8
226.17097	0.9
227.14319	0.8
227.17911	4.3
229.15852	3.2
233.13239	1.2
235.14806	2.1
236.15511	1.2
237.16359	4.0
239.17900	10.1
241.15742	0.9
241.19432	4.2
243.17432	2.2
247.14842	2.6
249.16365	2.9
251.17928	5.3
253.15784	1.1
253.19466	5.8
254.20270	2.7
255.17436	1.1
255.20944	2.6
261.16412	2.2
263.17932	4.1
265.19461	5.4
267.17471	0.8
267.17990	1.2
267.21002	13.3
269.18942	2.3
277.19498	3.1
279.20956	2.2
281.18973	1.3
281.22040	0.7
289.19559	1.1
291.21027	1.2
293.22540	1.5
295.20581	1.6
303.21014	3.6
309.22031	0.9
317.22675	2.6
319.24155	4.9
321.22012	4.3
321.25305	0.8
331.24167	1.3
335.23560	1.9
349.25284	1.4
363.26526	1.2
363.30768	1.6
373.28873	12.6
391.29913	100.0
392.30103	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	391.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.05502	7.4
55.81818	0.7
57.07057	1.9
57.80853	0.9
65.03912	1.7
67.05495	12.0
67.67092	0.6
69.03402	1.2
69.07057	6.1
70.58723	0.7
71.70226	1.1
71.70603	0.8
77.03934	0.7
79.05473	9.0
81.03416	1.0
81.06600	1.3
81.07044	16.3
83.04977	0.9
83.08604	3.2
83.32135	0.6
85.06511	1.1
91.05466	12.4
93.07027	15.3
95.04958	1.2
95.08591	26.6
95.09198	1.5
97.06503	1.2
97.10142	1.2
99.08078	10.2
103.05521	0.7
105.07010	20.5
106.07359	1.1
107.08575	27.5
109.06500	1.9
109.10136	21.3
111.08055	2.1
111.39346	0.7
113.09692	0.7
115.05450	2.0
117.06988	4.4
119.08562	45.9
120.08905	1.6
121.06492	10.2
121.10118	16.4
123.08046	3.0
123.11702	5.7
125.09620	1.2
128.06219	2.9
129.06973	6.0
130.07787	1.8
131.08543	23.1
133.06360	0.8
133.09105	0.5
133.10103	15.4
134.10483	0.9
135.08020	8.7
135.11665	7.8
137.09595	7.0
137.13217	1.9
141.06990	3.4
142.07736	5.1
143.08531	14.6
144.09299	2.3
145.10100	31.9
146.10512	0.8
147.08029	4.6
147.11662	9.1
149.02367	2.3
149.09560	2.0
149.13199	5.6
151.07654	0.8
151.11205	2.2
151.14783	0.9
153.06927	1.2
154.07780	1.5
155.08530	9.0
156.09325	6.1
157.10092	22.8
158.10870	3.2
159.08012	1.7
159.11652	21.4
159.12950	1.3
160.12051	0.9
161.09602	6.0
161.13245	10.0
163.11127	1.2
163.14809	5.8
165.06998	1.1
167.08545	2.2
168.09317	1.8
169.10126	13.6
170.10909	4.8
171.11662	23.0
172.12341	0.9
173.09618	0.9
173.13239	23.9
174.10081	0.7
175.11168	2.0
175.14807	11.0
177.12746	1.6
177.16409	2.8
179.08534	0.9
181.10062	4.5
182.10826	4.0
183.11656	17.3
184.12331	1.3
185.13229	22.6
186.13724	0.8
187.11177	1.7
187.14789	35.5
188.15175	1.0
189.12737	7.5
189.16382	2.6
191.14198	3.8
193.10052	1.6
193.15744	0.9
194.10898	0.8
195.11650	7.3
196.12436	3.0
197.13226	21.4
198.13942	1.6
199.14783	21.5
200.15218	1.1
201.16359	18.8
201.18172	1.4
203.14291	2.9
205.15761	1.3
207.11678	2.9
209.13211	7.2
210.13966	1.1
211.14761	16.6
211.16608	1.1
212.15393	2.5
213.12819	1.1
213.16333	12.9
215.14247	3.5
215.17970	2.1
217.15933	3.8
219.11737	1.7
219.17392	0.8
221.13240	4.0
222.14021	1.0
223.14795	5.6
224.15688	0.8
225.16325	5.8
226.17097	0.9
227.14319	0.8
227.17911	4.3
229.15852	3.2
233.13239	1.2
235.14806	2.1
236.15511	1.2
237.16359	4.0
239.17900	10.1
241.15742	0.9
241.19432	4.2
243.17432	2.2
247.14842	2.6
249.16365	2.9
251.17928	5.3
253.15784	1.1
253.19466	5.8
254.20270	2.7
255.17436	1.1
255.20944	2.6
261.16412	2.2
263.17932	4.1
265.19461	5.4
267.17471	0.8
267.17990	1.2
267.21002	13.3
269.18942	2.3
277.19498	3.1
279.20956	2.2
281.18973	1.3
281.22040	0.7
289.19559	1.1
291.21027	1.2
293.22540	1.5
295.20581	1.6
303.21014	3.6
309.22031	0.9
317.22675	2.6
319.24155	4.9
321.22012	4.3
321.25305	0.8
331.24167	1.3
335.23560	1.9
349.25284	1.4
363.26526	1.2
363.30768	1.6
373.28873	12.6
391.29913	100.0
392.30103	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	391.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.9
55.05503	12.2
57.07064	5.2
65.03930	1.4
67.05493	18.5
68.37860	1.0
69.07053	18.4
70.60423	2.9
71.08611	1.7
79.05479	10.8
81.07043	44.4
82.07372	1.4
83.04987	0.9
83.08610	9.9
91.05460	11.6
93.07026	24.3
95.04945	4.2
95.08590	69.9
96.08928	2.0
97.10155	4.2
104.44810	0.9
105.07015	25.6
107.04940	1.2
107.08572	29.6
108.08904	1.6
109.06504	2.1
109.10139	25.3
111.11679	1.4
115.05400	1.3
117.07019	4.9
119.08559	34.2
120.08897	2.0
121.06497	1.4
121.10120	24.2
122.10473	1.4
123.08089	1.0
123.11690	15.2
128.06213	3.5
129.06978	10.6
129.07849	1.5
130.07745	2.3
131.08545	17.3
132.08875	1.1
133.10100	13.9
135.11673	18.0
137.13225	19.6
141.06949	3.1
141.49651	0.8
142.07755	4.5
143.08533	25.5
144.09206	1.4
145.10100	30.0
146.10475	2.6
147.11655	10.7
149.02335	11.6
149.13234	16.4
151.14778	3.1
153.06961	1.5
155.08516	9.6
156.09256	3.5
157.10094	17.3
158.10829	3.0
159.11673	17.1
160.12167	1.2
161.09531	1.2
161.13242	8.2
163.14792	7.6
167.08569	3.0
168.09296	1.9
169.10107	18.9
170.10736	2.7
171.11665	25.6
171.13074	1.9
172.12280	2.1
173.13245	16.1
175.14813	9.6
177.16331	5.6
179.08508	1.1
181.10098	2.9
182.10922	4.7
183.11662	15.1
184.12158	1.6
185.13217	12.1
186.13728	1.4
187.14790	26.6
189.16393	6.9
191.17880	5.3
193.10045	1.8
194.10751	1.4
195.11700	4.7
196.12390	2.5
197.13229	21.1
198.13826	1.6
199.14812	15.5
200.15338	1.3
201.16350	15.0
203.17909	6.4
205.10283	0.9
206.10881	1.2
207.11726	2.2
209.13206	4.8
210.13785	1.6
211.14783	27.6
212.15279	2.4
213.16338	22.6
213.18254	1.8
214.16801	1.3
215.17938	6.9
217.19499	2.6
221.13261	1.9
223.14749	4.9
224.15448	1.4
225.16339	13.0
227.17928	10.1
229.19513	4.1
235.14690	1.4
237.16290	2.7
239.17905	14.1
240.18445	2.2
241.19476	17.9
242.19978	1.0
243.21048	2.5
246.06079	1.9
249.16476	1.8
251.17882	2.7
252.18582	1.4
253.19443	9.7
254.20024	1.7
255.20981	4.7
263.18185	1.1
264.07114	1.3
265.19476	3.2
266.20087	1.1
267.21033	20.6
267.23843	1.7
268.21405	1.8
269.22540	2.7
277.19409	1.1
279.20813	1.9
281.22461	5.0
293.22543	2.1
294.22565	1.2
295.20786	1.1
295.24152	3.7
296.24872	1.9
307.24091	3.0
321.25687	7.8
335.27246	2.9
348.27866	1.8
349.28818	1.0
363.30536	1.4
373.25110	1.2
391.25620	3.8
391.33508	100.0
392.26901	4.1
392.34024	9.4
392.74008	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.9
57.07057	4.0
67.05496	11.6
67.22355	0.9
69.07063	10.2
71.08613	3.8
79.05470	6.5
81.07045	27.3
82.06199	0.9
83.08605	6.2
86.09679	0.9
91.05461	6.8
93.07032	15.3
94.37354	0.9
95.04916	1.4
95.08001	2.1
95.08595	38.0
95.09199	2.2
97.10146	3.2
105.07015	15.2
107.08578	19.1
109.10140	20.2
111.11690	1.4
117.06995	3.7
119.08568	18.7
121.10128	14.6
122.10413	1.0
123.11688	9.4
128.06216	1.7
129.06990	3.3
131.08543	14.5
133.10123	13.2
134.10429	1.1
135.11678	8.4
137.13264	5.6
141.06952	2.2
142.07771	3.3
143.08542	9.2
144.09264	1.5
145.08992	1.2
145.10103	23.2
146.52185	1.1
147.11688	8.1
149.02316	8.3
149.13246	9.2
155.08527	4.9
156.09393	3.3
157.10098	11.9
158.10852	3.1
159.11665	17.4
160.12065	1.3
161.13240	7.7
163.14801	10.3
167.08519	1.2
169.10078	8.0
170.10724	1.5
171.11673	14.5
172.12280	1.8
172.98300	1.2
173.13242	12.0
174.13821	1.0
175.14764	8.7
177.16377	5.1
181.10152	1.1
183.11630	6.4
185.13271	8.2
187.14795	29.1
188.15100	1.0
189.16393	6.3
191.17947	4.1
195.11740	2.3
196.12390	1.4
197.13216	7.7
198.13768	1.5
199.14789	9.6
201.16367	19.7
202.16698	1.6
203.17963	4.0
205.19533	1.3
209.13261	2.6
210.13893	1.5
211.14809	9.6
213.16312	7.5
215.17902	6.1
217.19519	4.3
223.14824	2.0
224.15504	1.3
225.16356	6.2
227.17932	8.3
229.19588	4.4
235.14821	1.1
237.16422	2.3
239.02238	1.2
239.17899	8.9
239.50612	0.9
241.19434	9.6
243.21199	2.7
251.17961	1.7
253.19545	8.1
254.19992	1.6
255.21107	4.1
265.19366	1.7
267.21078	6.9
269.22607	2.4
279.21115	1.8
281.22610	4.8
283.23929	1.4
286.25925	1.0
293.22607	3.1
295.24094	5.3
307.24170	1.4
321.25665	2.6
333.25797	1.3
335.27289	1.8
349.28809	1.7
376.75690	1.1
391.33551	100.0
392.33929	11.4
401.33795	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02893	17.2
69.03426	40.1
69.88445	14.4
70.00925	24.1
70.01328	67.9
79.05463	28.0
81.03403	28.2
81.07040	21.7
83.06123	20.8
84.08100	17.4
84.55934	15.1
85.02895	58.4
86.06048	14.4
91.05473	38.1
93.07016	26.3
95.08580	22.2
97.02915	21.1
105.07018	34.7
107.04948	16.8
107.08542	15.3
121.06481	84.7
123.08054	26.8
127.03899	24.6
137.10791	22.8
149.02365	62.5
149.05943	100.0
150.02682	25.2
151.07539	36.9
153.05444	21.5
157.68915	15.4
167.07068	64.1
169.08629	42.2
177.05473	37.9
194.11760	19.3
195.06557	84.9
212.12810	49.2
212.14682	39.8
214.08354	15.1
229.15523	14.8
234.98933	22.5
305.66324	17.0
366.42136	15.5
392.20029	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	392.191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89980	2.2
58.04097	2.2
63.12630	2.4
64.25432	2.2
67.05475	4.8
69.03429	3.5
69.07062	4.3
70.06575	7.4
71.39532	4.0
72.08139	4.1
81.03416	4.0
81.07018	3.9
82.06546	2.1
84.04457	4.2
84.08114	4.4
85.02888	9.1
86.06020	2.7
86.09708	6.3
87.04471	2.2
91.05479	3.2
93.07027	3.2
95.04910	2.6
95.08587	6.1
97.02869	4.2
97.06413	2.1
105.07006	10.4
107.08542	2.7
109.02882	2.9
109.06511	4.0
110.07151	2.4
112.07541	3.0
116.98594	3.2
120.08081	2.8
121.06491	3.9
123.08045	41.9
127.03932	2.6
131.08534	3.0
140.07018	3.2
149.02345	6.1
150.02641	3.7
151.07520	100.0
151.08749	5.2
167.06992	3.8
169.08553	8.5
177.00813	2.1
194.11725	8.0
203.38948	2.2
212.12762	9.7
230.13820	5.8
302.76740	2.5
384.14648	2.3
392.19321	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	393.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
62.42334	0.3
68.05003	1.5
70.06569	0.6
71.70490	0.6
79.05476	0.4
81.07079	0.4
85.02876	0.4
86.09688	0.5
97.42570	0.4
103.22816	0.4
120.08097	0.7
123.05560	0.4
124.05042	0.5
130.04974	0.7
137.05896	0.7
140.03421	1.0
148.05060	0.4
148.48065	0.4
149.04576	0.6
162.19670	0.4
166.07228	0.8
166.08569	0.7
172.06035	0.8
189.01830	0.4
189.06462	0.7
189.10120	0.5
201.06479	1.3
202.07225	1.5
203.07933	1.7
204.08784	6.6
214.07251	0.5
215.07930	2.3
216.08775	100.0
217.09436	4.3
218.10298	5.5
219.10603	0.4
225.06416	10.6
226.07141	3.5
227.08008	1.4
228.08740	0.9
229.09494	1.2
230.10342	10.5
240.08768	54.9
241.09454	2.5
246.09836	7.1
255.10008	0.5
256.08298	0.4
258.09705	2.5
268.08258	5.3
272.11383	3.4
283.09460	1.1
286.08972	0.5
300.10870	51.2
301.11133	1.4
311.08932	0.6
315.12094	1.0
333.12955	3.2
343.11499	2.9
343.31049	0.4
361.12466	5.1
375.14069	5.2
393.15094	25.5
394.15512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.3
57.03418	0.8
65.03960	0.6
67.05476	1.0
68.04999	2.0
69.03404	2.4
69.07043	0.8
69.17727	0.5
70.06577	2.7
70.08825	3.2
71.04966	1.1
72.08134	4.8
79.05490	0.6
81.03384	1.5
81.07026	1.4
84.04473	1.0
84.08118	1.5
84.70747	0.6
85.02892	2.5
86.09665	0.8
91.05471	3.3
93.07011	1.0
94.13387	0.5
95.04918	0.9
97.02861	1.1
97.06509	0.6
98.20815	0.9
98.97578	0.5
105.06960	0.7
107.04865	0.6
107.08541	0.8
109.02857	1.1
115.08661	0.5
119.08573	0.6
120.08079	6.3
121.10136	0.6
127.03936	1.5
127.07567	0.6
130.04933	0.8
137.06006	0.8
140.03391	1.2
143.11717	1.3
147.04433	1.3
149.04584	1.2
149.05948	2.3
151.03864	2.2
165.05511	0.6
166.07326	0.7
166.08623	1.9
169.41209	0.6
171.11368	0.7
172.05974	1.0
177.05435	2.0
181.06490	0.5
185.11673	1.0
186.11987	1.2
196.16782	0.7
201.06413	1.8
202.07220	2.7
203.07899	1.4
204.08780	7.2
215.07928	1.8
216.08769	100.0
217.09378	4.0
218.10321	4.2
223.10754	1.0
225.06398	11.8
226.07178	3.5
227.07965	2.1
228.08780	1.1
229.09494	1.0
230.10330	8.8
231.01456	0.6
240.08763	59.2
240.19577	0.7
241.09532	4.1
242.10313	0.8
246.09828	6.5
258.09711	2.7
259.08255	2.2
268.08258	4.0
272.11398	4.4
273.11243	1.1
283.09464	1.1
300.10864	58.7
301.11011	2.0
315.12271	0.6
333.12955	3.2
343.11435	2.5
347.14255	0.5
361.12469	6.5
375.14322	5.4
393.14975	27.6
393.20596	7.4
394.15179	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.7
55.01851	1.9
55.05503	13.5
57.03434	10.0
65.03925	1.9
67.05143	1.7
67.05496	33.0
67.64438	1.5
69.07051	7.4
71.04953	1.3
71.25789	2.6
79.05487	43.0
81.03411	6.7
81.06603	2.2
81.07045	30.7
83.04967	14.5
83.08604	3.8
85.46487	1.3
91.05466	33.9
92.05775	1.3
93.07032	37.3
94.07358	1.8
95.04957	12.1
95.08596	16.9
97.06522	3.1
97.10170	2.8
98.50964	1.4
103.20869	1.6
105.07006	25.5
107.04875	2.2
107.08588	11.1
109.06480	2.7
109.10126	3.7
113.00000	100.0
115.05456	2.5
117.06988	5.6
117.52381	1.3
119.08566	14.1
121.06555	1.3
121.10144	3.3
123.08053	4.8
128.06265	2.0
129.07001	10.6
131.08586	3.8
133.06418	1.5
133.10083	7.8
135.11685	1.9
143.08530	6.5
145.10136	7.2
147.11684	24.7
159.11670	3.2
161.09557	2.8
161.13239	9.7
163.11162	2.7
169.02583	45.7
169.10101	1.5
171.11658	26.4
179.14282	3.3
185.64793	1.4
187.03709	7.1
187.14740	1.5
187.96472	1.4
189.12747	17.6
190.13173	1.3
207.13820	19.3
225.14833	2.5
236.67128	1.4
281.17419	59.1
282.17776	2.6
393.27344	1.6
393.31848	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.0
55.05500	11.8
57.07042	2.5
65.03892	1.6
67.05494	14.2
69.03410	1.5
69.06746	0.9
69.07050	10.9
71.70963	1.2
77.03861	0.9
79.05476	18.5
81.07037	34.6
83.08592	5.4
85.06504	1.8
91.05457	25.1
92.05736	0.8
93.07026	38.7
94.07323	1.1
95.04911	3.3
95.08587	38.1
97.06512	0.9
97.10106	1.6
98.97536	2.8
99.08067	8.0
103.05398	1.5
105.07010	51.4
107.04888	1.1
107.08572	50.2
109.06450	3.1
109.09430	1.0
109.10133	14.9
111.07986	1.0
115.05390	2.5
116.06225	1.1
116.98603	1.8
117.06279	0.9
117.06986	10.9
119.08555	83.8
120.08853	1.6
121.06448	1.7
121.10122	21.5
123.08012	3.2
123.11695	4.6
125.09573	1.2
127.07494	1.2
128.06180	3.8
129.06963	7.9
130.07698	3.1
130.39027	0.8
131.08545	38.9
133.10103	29.4
133.11115	1.0
134.10402	1.0
135.08022	3.1
135.11674	20.6
137.09563	1.0
137.13159	1.5
141.06937	3.9
142.07738	8.6
143.08534	21.4
144.09319	9.7
145.06406	1.4
145.10089	40.8
146.10637	1.2
147.07983	1.9
147.11655	34.7
149.05978	1.2
149.13217	11.8
151.07500	1.2
153.08971	2.0
155.08528	7.0
156.09343	5.4
157.10103	36.1
158.10751	2.4
158.99612	1.2
159.11665	80.3
160.11977	2.4
161.09592	5.0
161.11908	1.2
161.13223	24.6
163.07449	2.4
163.11107	0.8
163.14771	5.8
165.06909	0.9
165.09070	1.0
167.08492	3.0
168.09192	1.4
169.10086	12.9
170.10796	3.7
171.11661	20.3
172.12195	1.2
173.09683	2.0
173.13228	29.4
174.13641	1.2
175.11145	0.9
175.14807	11.9
177.00562	1.4
177.08942	0.9
177.16353	6.4
179.14151	1.3
181.04726	1.0
181.10141	4.3
182.10812	2.7
183.11659	14.8
184.12401	3.5
185.09567	1.4
185.13223	20.0
187.07373	1.1
187.11090	2.0
187.14787	24.8
189.08934	1.1
189.12627	2.8
189.16328	6.2
193.10036	3.0
194.10770	1.1
195.11638	7.2
196.12387	2.1
197.13216	12.4
198.13960	1.4
199.14783	43.7
200.15132	1.1
201.12689	1.4
201.16351	21.1
203.14095	1.5
203.17982	3.9
207.11588	2.9
209.13208	6.9
210.13933	1.1
211.14772	12.1
212.15353	1.1
213.12921	0.9
213.16347	20.9
215.14182	3.4
215.17874	6.0
219.13670	1.4
221.13083	3.4
221.15086	1.1
223.14699	5.5
224.15491	1.5
225.16321	8.9
227.17867	5.3
229.15785	3.1
229.19373	1.0
231.13681	1.5
231.17189	1.1
233.15344	1.6
235.14644	3.3
236.15277	1.0
237.16336	4.7
239.17882	10.6
240.18442	1.8
241.19467	7.9
245.15321	4.6
247.16870	2.1
249.16228	2.5
251.17905	7.0
253.19522	6.5
255.17343	1.1
255.20859	1.5
257.15225	2.6
259.17004	4.9
261.16318	1.1
263.14371	0.8
263.17792	4.0
265.19531	5.2
267.17761	0.9
267.20956	3.3
269.15405	1.1
271.16891	1.3
277.19360	5.3
279.16125	1.7
279.20911	2.6
283.16888	1.6
285.18427	2.4
288.16434	1.9
290.59464	0.9
291.20871	3.7
293.22348	1.2
297.18314	2.5
299.19897	1.6
303.20905	1.9
305.22464	3.1
310.44061	1.0
311.19879	3.2
313.21429	1.1
319.24121	1.5
321.22125	1.9
321.25613	5.6
323.19843	2.0
332.24820	1.4
333.25479	1.2
337.21289	1.3
337.25021	1.1
347.23087	1.5
347.27249	25.8
348.27460	2.0
349.28867	2.2
352.81491	1.1
365.28207	2.7
375.26218	4.6
375.30948	4.9
393.27554	100.0
393.31516	11.6
394.27945	8.8
394.31738	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51176	2.3
53.03928	7.9
55.01881	3.5
55.05502	28.7
57.03426	13.0
57.06797	3.3
57.07067	47.3
65.03920	4.8
67.05500	52.2
69.03429	2.7
69.07056	30.3
69.35635	9.2
69.36055	21.3
71.05000	5.0
71.08288	3.3
71.08622	30.5
79.05483	37.7
81.07048	86.9
81.72371	3.1
83.04965	7.4
83.08609	19.7
85.06494	3.9
85.10155	15.2
91.05468	59.1
93.07027	80.3
95.04955	57.6
95.05531	2.0
95.08594	81.4
97.06495	11.2
97.10156	6.5
98.21563	5.4
98.98448	63.2
103.05471	6.1
103.45599	2.4
105.07013	100.0
106.07299	3.6
107.04945	2.7
107.08581	53.4
109.06503	20.4
109.10139	37.1
113.00004	95.2
115.05392	7.0
116.06277	3.4
117.06978	22.5
119.04928	4.1
119.07732	5.2
119.08565	93.0
121.06476	19.5
121.10123	37.7
123.08048	5.8
123.11694	20.2
128.06209	9.0
129.07002	19.3
130.07777	9.0
131.08545	49.5
133.10114	50.8
135.08018	4.9
135.11662	20.3
137.09550	3.7
137.13232	3.9
141.06955	8.7
142.07759	20.8
143.08549	37.3
144.09277	9.1
145.10118	61.9
146.07216	2.6
147.08049	5.8
147.11658	27.7
149.09598	4.8
153.06990	4.9
154.07712	4.7
155.01024	88.3
155.08514	11.5
156.09296	7.7
157.10110	55.8
158.10745	3.8
159.08025	5.3
159.11656	39.4
160.12340	3.0
161.09619	16.3
161.13208	10.5
163.11115	6.1
167.08499	7.3
168.09334	4.6
169.02589	97.8
169.10106	20.0
170.10851	6.9
171.11655	26.2
172.12323	3.9
173.09569	6.2
173.13268	23.6
175.11162	10.0
175.14760	18.1
179.08536	6.0
180.09328	4.6
181.10059	14.0
182.10837	7.5
183.11661	22.1
185.13229	14.0
187.11180	5.8
187.14796	10.6
189.16458	3.5
191.14575	3.0
192.09186	2.9
193.10156	6.2
194.10895	4.7
195.11659	12.1
196.12482	3.6
197.13197	19.6
199.11101	3.8
199.14810	9.1
201.16367	8.5
205.15822	4.1
207.11629	6.9
208.12399	3.0
209.13234	14.6
210.14082	4.1
211.11232	2.9
211.14764	12.1
213.16277	6.1
217.16005	2.8
219.11649	4.7
221.13341	6.3
223.14781	9.5
224.15799	3.2
225.16365	5.4
227.17807	3.6
235.14810	5.0
239.17934	4.8
239.23666	7.8
241.19440	2.9
247.58951	2.6
251.17825	3.0
253.15778	7.0
265.19424	4.7
273.16241	3.0
278.19968	2.6
280.57996	2.9
281.18976	4.3
293.18878	3.8
375.26364	4.4
393.27658	15.4
394.28357	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	393.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.05503	6.2
57.07077	1.6
65.03947	1.3
67.05499	16.1
69.03429	1.3
69.07059	8.5
69.73168	6.2
79.05484	12.5
81.03427	1.0
81.07047	22.6
83.08603	3.3
85.06541	2.0
89.32778	0.9
91.05467	15.5
93.07032	25.5
94.07393	1.0
95.04998	2.8
95.08593	32.6
96.08923	1.6
97.06512	1.7
99.04455	1.3
99.08084	2.6
103.05463	1.2
105.07018	27.7
107.08582	37.7
109.02866	1.0
109.06512	1.8
109.10143	34.1
111.08085	2.4
111.11743	0.9
115.05430	1.3
116.06257	0.9
117.07009	5.9
119.08566	45.5
120.08952	1.6
121.06496	3.6
121.10126	28.8
121.10970	1.8
122.10518	1.2
123.08066	1.8
123.11636	4.5
125.09627	1.1
128.06163	4.2
129.06999	7.9
130.07784	1.9
131.08557	25.1
132.08791	0.9
133.10110	16.2
135.08061	4.1
135.11671	13.3
137.09593	7.4
137.13245	2.5
139.11153	1.5
142.07777	4.0
143.08551	30.4
143.09627	1.9
144.09280	3.6
145.10114	31.7
146.10471	2.0
147.08086	3.1
147.11665	12.9
148.12018	1.5
149.09608	1.2
149.13246	17.9
150.13557	1.4
151.11182	1.5
151.14838	1.2
154.07751	1.0
155.08545	4.9
156.09309	3.0
157.10118	26.2
158.10899	5.2
159.08057	1.1
159.11682	28.7
159.12950	1.8
160.12073	1.1
161.09656	3.5
161.13263	13.6
163.11209	1.3
163.14813	10.6
167.17642	0.9
169.10077	8.1
170.10815	2.4
171.11676	19.0
172.12340	1.9
173.13249	25.8
175.14830	10.0
177.12764	4.6
177.16391	5.0
179.14357	1.3
181.10153	1.9
182.10922	1.5
183.11661	8.4
184.12318	1.7
185.13268	12.3
186.13876	1.4
187.14819	22.7
188.15128	1.1
189.12738	2.5
189.16370	4.5
190.21574	1.0
191.14351	1.7
195.11714	2.9
197.13217	13.5
198.13782	1.2
199.14809	42.8
200.15262	3.0
201.16382	14.3
201.18134	1.1
202.16704	1.3
203.14348	2.7
203.18062	2.0
207.11708	1.3
208.12547	1.2
209.13261	3.2
211.14838	7.1
213.16367	34.0
214.17053	4.9
215.17934	37.0
216.18282	2.3
217.15904	1.9
219.17467	1.5
221.13281	3.2
222.47627	1.0
223.14880	1.9
225.16325	5.2
227.17906	6.5
229.15912	1.9
229.19614	1.4
231.17360	1.4
235.14784	1.5
237.16463	2.7
237.82358	0.9
239.17899	5.9
240.18634	1.0
241.19476	9.9
242.20180	1.4
243.17438	2.5
243.21030	6.2
249.16461	1.8
251.18066	2.3
252.18687	1.2
253.19551	5.1
255.21034	14.4
263.17999	3.3
265.19574	3.7
267.21072	19.4
268.21561	1.3
277.19586	1.3
279.20926	1.6
291.21112	2.2
293.23016	1.4
295.24054	1.2
297.21902	1.6
305.22641	4.1
319.24167	1.8
321.25854	3.1
323.23563	2.8
333.25943	1.2
347.27365	3.1
349.28885	1.3
365.32196	1.7
375.30362	10.0
393.31586	100.0
394.27661	1.3
394.32144	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	393.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.05503	6.2
57.07077	1.6
65.03947	1.3
67.05499	16.1
69.03429	1.3
69.07059	8.5
69.73168	6.2
79.05484	12.5
81.03427	1.0
81.07047	22.6
83.08603	3.3
85.06541	2.0
89.32778	0.9
91.05467	15.5
93.07032	25.5
94.07393	1.0
95.04998	2.8
95.08593	32.6
96.08923	1.6
97.06512	1.7
99.04455	1.3
99.08084	2.6
103.05463	1.2
105.07018	27.7
107.08582	37.7
109.02866	1.0
109.06512	1.8
109.10143	34.1
111.08085	2.4
111.11743	0.9
115.05430	1.3
116.06257	0.9
117.07009	5.9
119.08566	45.5
120.08952	1.6
121.06496	3.6
121.10126	28.8
121.10970	1.8
122.10518	1.2
123.08066	1.8
123.11636	4.5
125.09627	1.1
128.06163	4.2
129.06999	7.9
130.07784	1.9
131.08557	25.1
132.08791	0.9
133.10110	16.2
135.08061	4.1
135.11671	13.3
137.09593	7.4
137.13245	2.5
139.11153	1.5
142.07777	4.0
143.08551	30.4
143.09627	1.9
144.09280	3.6
145.10114	31.7
146.10471	2.0
147.08086	3.1
147.11665	12.9
148.12018	1.5
149.09608	1.2
149.13246	17.9
150.13557	1.4
151.11182	1.5
151.14838	1.2
154.07751	1.0
155.08545	4.9
156.09309	3.0
157.10118	26.2
158.10899	5.2
159.08057	1.1
159.11682	28.7
159.12950	1.8
160.12073	1.1
161.09656	3.5
161.13263	13.6
163.11209	1.3
163.14813	10.6
167.17642	0.9
169.10077	8.1
170.10815	2.4
171.11676	19.0
172.12340	1.9
173.13249	25.8
175.14830	10.0
177.12764	4.6
177.16391	5.0
179.14357	1.3
181.10153	1.9
182.10922	1.5
183.11661	8.4
184.12318	1.7
185.13268	12.3
186.13876	1.4
187.14819	22.7
188.15128	1.1
189.12738	2.5
189.16370	4.5
190.21574	1.0
191.14351	1.7
195.11714	2.9
197.13217	13.5
198.13782	1.2
199.14809	42.8
200.15262	3.0
201.16382	14.3
201.18134	1.1
202.16704	1.3
203.14348	2.7
203.18062	2.0
207.11708	1.3
208.12547	1.2
209.13261	3.2
211.14838	7.1
213.16367	34.0
214.17053	4.9
215.17934	37.0
216.18282	2.3
217.15904	1.9
219.17467	1.5
221.13281	3.2
222.47627	1.0
223.14880	1.9
225.16325	5.2
227.17906	6.5
229.15912	1.9
229.19614	1.4
231.17360	1.4
235.14784	1.5
237.16463	2.7
237.82358	0.9
239.17899	5.9
240.18634	1.0
241.19476	9.9
242.20180	1.4
243.17438	2.5
243.21030	6.2
249.16461	1.8
251.18066	2.3
252.18687	1.2
253.19551	5.1
255.21034	14.4
263.17999	3.3
265.19574	3.7
267.21072	19.4
268.21561	1.3
277.19586	1.3
279.20926	1.6
291.21112	2.2
293.23016	1.4
295.24054	1.2
297.21902	1.6
305.22641	4.1
319.24167	1.8
321.25854	3.1
323.23563	2.8
333.25943	1.2
347.27365	3.1
349.28885	1.3
365.32196	1.7
375.30362	10.0
393.31586	100.0
394.27661	1.3
394.32144	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	393.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
54.90618	0.9
55.05499	11.6
57.03424	1.3
57.07073	3.1
60.25151	1.1
64.73019	1.0
65.03938	2.1
67.05493	19.1
69.03404	2.7
69.07058	12.4
69.61195	8.2
71.04985	1.6
74.09675	1.0
79.05476	16.1
81.03429	1.6
81.07040	29.2
82.07408	1.1
83.04980	2.8
83.08602	3.9
85.02869	2.1
85.06553	2.4
89.16495	0.9
89.54710	0.9
91.05462	18.4
92.01997	1.0
93.06439	1.0
93.06571	0.6
93.07030	31.4
95.04977	4.3
95.08591	39.1
96.08936	2.4
97.02869	1.1
97.06561	1.8
97.10126	1.2
99.04471	1.3
99.08085	3.8
103.05429	1.9
105.07010	38.7
106.07336	1.4
107.08575	46.9
108.08918	2.0
109.02847	1.9
109.06519	3.5
109.10133	34.3
110.10491	1.6
111.08070	2.4
115.05466	1.7
117.07000	9.2
119.08559	59.4
120.08950	3.2
121.06508	4.2
121.09258	2.5
121.10120	33.9
121.10966	1.8
123.08076	3.5
123.11653	7.7
125.09633	2.5
127.03921	1.9
128.06244	3.7
129.06984	10.2
130.07835	1.9
131.08546	31.2
132.08914	1.6
133.10103	22.2
133.11018	1.7
134.10481	2.1
135.08052	5.1
135.11668	16.7
137.09590	7.7
137.13200	1.6
139.11246	1.6
141.06985	3.0
142.07790	6.1
143.08540	34.0
143.09608	2.1
144.09351	4.8
145.10104	40.4
145.11215	2.0
146.10513	1.8
147.08038	3.2
147.11653	17.8
149.09631	2.4
149.13225	19.3
150.13670	1.2
151.11139	1.8
155.08588	4.3
156.09372	4.3
157.06555	1.3
157.10097	28.1
158.10797	4.7
159.08066	1.7
159.11668	32.6
160.12070	2.0
161.09650	4.0
161.13237	14.5
163.14806	14.2
163.52496	1.1
167.08562	1.8
168.09366	1.7
169.10068	8.6
170.10875	3.9
171.09367	1.3
171.11668	21.9
172.12251	1.3
173.09636	1.9
173.13239	28.2
175.14815	10.2
177.12781	4.4
177.16380	5.6
179.14407	1.5
181.10124	2.6
182.10962	3.0
183.11641	9.1
184.12340	1.4
185.13257	15.9
186.13916	1.3
187.14807	26.0
187.16336	1.8
188.15131	2.0
189.12798	2.6
189.16331	6.6
191.14316	2.8
193.10123	1.6
193.15918	1.5
195.11586	5.3
197.13232	14.6
198.13821	1.7
199.14778	52.0
200.15361	2.4
201.12643	1.3
201.16350	16.5
202.16809	1.5
203.14304	3.0
203.17990	3.2
205.10049	1.2
207.11646	1.9
209.13281	3.3
211.14848	8.8
212.15533	1.3
213.16364	38.1
214.17026	7.4
215.14514	2.9
215.17937	37.7
216.18405	1.1
221.13120	1.3
223.14821	3.1
225.16292	5.3
227.14526	1.1
227.17938	6.2
229.16032	1.7
229.19623	3.2
231.17456	1.8
237.16399	2.4
239.17924	5.5
241.19490	10.2
243.17303	1.4
243.20978	6.2
249.16299	1.4
251.18015	4.2
253.19481	6.3
255.21037	13.1
263.18079	2.6
265.19626	3.3
267.21036	22.1
267.23831	1.5
269.18890	1.1
277.19708	2.0
291.21030	2.0
293.22675	1.4
305.22629	3.7
319.24103	2.6
321.22137	1.2
321.25839	3.7
323.23834	3.4
347.27304	5.4
375.30386	11.4
393.31638	100.0
394.32117	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	393.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.05499	12.4
57.07063	7.3
62.49450	1.2
67.05488	21.3
69.07051	22.6
69.37612	14.9
70.74935	1.1
71.08590	2.3
72.06468	1.2
79.05476	14.5
81.07044	55.7
83.08603	11.1
87.65486	1.2
91.05460	11.9
93.07029	33.5
95.04958	4.0
95.08591	100.0
97.10142	5.2
105.07016	31.3
107.08581	41.6
109.10139	42.0
111.11678	2.5
117.06995	5.2
119.08567	39.9
121.10120	27.6
123.11686	24.8
128.06210	1.8
129.06982	4.0
131.08536	16.9
133.10100	23.0
135.11662	13.7
137.13234	18.8
142.07722	2.1
143.08560	11.8
144.09364	1.5
145.10109	23.9
147.11649	19.0
149.13226	26.9
155.01064	2.8
155.08580	1.4
156.09344	3.5
157.10121	9.5
159.11681	24.7
161.13214	13.0
163.14790	20.7
167.46907	1.2
169.10132	1.4
171.11668	9.8
173.13216	14.0
175.14798	13.0
177.16359	14.2
181.09892	1.4
182.31355	1.4
183.11661	2.2
185.13164	7.5
187.14798	20.5
189.16371	11.6
191.17908	7.3
199.14786	7.0
201.16370	15.8
203.17903	13.6
205.19504	3.5
213.16364	21.0
215.17928	15.3
217.19463	10.9
219.21092	2.0
227.17911	8.7
229.19447	7.6
231.21089	3.3
241.19482	12.4
243.21039	9.8
245.22510	2.1
255.21011	18.3
257.22595	4.0
269.22614	9.7
271.24136	1.4
281.22656	2.0
283.23972	1.8
297.25613	7.4
309.25674	2.1
311.27267	1.9
323.27225	2.9
351.30298	2.4
393.35104	87.8
394.35400	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05128	1.8
55.05240	3.0
55.05502	44.8
57.06840	2.2
57.07069	25.2
57.85841	1.8
65.03916	1.6
67.05501	16.4
68.80293	1.7
69.07059	36.5
69.40199	9.7
69.40624	8.1
71.08624	11.8
77.77417	1.6
79.05488	13.5
81.07043	71.8
83.08605	100.0
85.10175	4.2
91.05479	12.2
93.07030	17.5
95.04906	2.2
95.08588	21.8
97.10143	12.6
98.21397	4.0
100.06155	1.7
105.07006	20.5
107.08571	25.7
109.10155	14.4
111.11701	2.1
117.06983	8.0
119.08560	15.9
121.10106	9.3
123.11681	4.2
128.06172	2.8
129.06973	3.4
131.08546	13.4
133.10120	13.1
135.11653	8.5
139.14809	1.6
142.07751	5.8
143.08578	10.5
145.10098	23.7
147.11650	14.5
149.13242	6.0
157.10098	26.1
159.11674	19.6
161.13264	5.3
163.14819	3.5
169.10126	3.2
171.11632	9.0
173.13272	7.2
177.16327	2.3
179.17751	2.2
183.11673	5.6
185.13249	9.4
187.14787	6.6
189.16327	2.6
197.13214	7.4
199.14754	8.0
201.16354	5.4
203.18063	1.7
211.14815	6.7
213.16341	6.3
215.17899	3.8
225.16232	4.1
227.17900	4.6
227.48076	1.7
239.17856	10.1
241.19456	3.5
253.19508	8.1
255.20990	2.9
257.31717	1.7
281.22778	2.5
295.24115	16.7
299.27448	3.3
309.25696	7.3
331.35123	1.8
332.58459	1.9
391.10059	1.8
393.35104	92.9
394.35382	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	394.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	9.4
56.96546	24.9
57.03415	10.6
66.52393	5.0
67.05486	9.4
69.03413	28.3
70.06609	7.8
71.01333	6.3
71.04960	7.2
71.69349	8.4
71.69746	7.9
72.08044	5.8
79.05483	28.9
80.04991	11.5
81.03409	75.1
82.06554	14.1
83.04961	9.2
84.04478	15.8
84.08128	9.6
84.96011	7.6
85.02893	67.9
86.06055	8.3
87.04425	6.1
91.05468	28.3
92.14213	5.8
93.07021	11.1
95.04946	20.1
97.02868	34.4
97.06489	28.6
98.06039	9.5
98.97555	65.6
102.08860	5.4
103.05418	8.9
105.06333	5.2
105.07019	22.1
107.04922	18.6
109.02865	12.0
109.06521	8.9
110.06019	14.4
110.97562	7.2
111.04432	12.8
114.05540	5.5
116.98602	41.0
119.01846	8.7
119.04910	10.4
121.06483	6.9
122.05968	8.2
123.04407	30.8
127.03909	21.9
128.98553	12.0
131.00189	11.6
133.06464	10.2
134.09682	7.5
134.99586	13.8
136.07506	9.2
137.05957	65.9
138.06310	7.2
140.06985	6.5
145.04921	7.1
146.99631	13.2
147.04350	37.0
149.05949	14.4
151.07507	18.3
158.99687	20.7
161.01160	9.3
165.05392	7.8
166.07225	26.6
167.06990	15.5
177.00658	26.8
179.06987	74.8
183.06444	6.8
189.04230	6.5
196.09627	36.2
197.08080	100.0
212.06157	20.4
214.10690	32.9
219.01694	29.2
232.11758	8.0
237.02782	43.6
309.08429	22.0
335.06296	7.6
335.10034	10.3
353.07413	11.6
394.34686	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	394.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25283	1.0
53.03919	1.4
55.01862	5.3
56.96547	2.7
57.03425	2.0
61.02921	1.6
67.05486	2.6
68.04997	1.1
69.03415	4.7
70.06582	1.9
71.45597	2.3
75.91795	1.1
79.05481	24.6
81.03378	2.1
81.07053	3.1
84.08115	1.9
85.02901	8.8
86.06091	1.5
87.04427	1.4
91.05463	6.0
93.07020	4.7
95.04957	2.0
95.08578	1.8
97.02868	3.0
97.06519	38.5
98.05960	1.3
98.97588	6.3
103.05486	1.4
105.07016	19.4
107.04945	12.4
107.08582	6.1
109.02879	1.3
109.06502	2.5
110.97526	1.3
116.98605	5.6
117.07021	2.5
119.04922	2.3
121.06470	5.0
123.04391	1.3
123.08028	3.0
125.02326	1.2
127.03875	2.2
131.04906	2.1
133.06459	17.1
134.09589	1.3
135.08041	3.3
137.05939	2.7
145.04926	1.9
146.99635	1.7
147.04372	2.1
149.05988	7.5
151.07523	14.8
161.05956	4.2
167.07039	4.1
168.76321	1.1
177.00708	3.3
179.05423	1.5
179.07010	43.7
197.08069	100.0
198.08444	2.1
212.06316	1.7
214.10757	3.0
218.88539	1.0
219.01819	3.0
237.02768	4.5
258.49146	1.3
260.82846	1.2
304.07953	2.3
380.51547	1.2
392.98288	1.1
394.13635	1.6
394.34601	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16098	0.5
57.23293	0.4
62.00275	0.4
62.66111	0.5
63.58089	0.4
70.00420	0.4
70.49366	1.0
70.49763	1.7
75.73259	0.4
99.20873	0.5
163.88992	0.5
214.92609	0.4
224.65625	0.5
297.32693	0.5
341.98224	0.5
395.09464	100.0
396.09973	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46609	0.1
51.36014	0.1
51.85515	0.1
53.03939	1.0
54.56222	0.1
55.01871	0.2
55.05500	0.4
57.03420	0.4
63.02330	0.2
65.03926	1.2
67.01859	0.8
67.05479	0.3
68.99774	0.4
69.03417	2.9
69.07054	0.4
71.04986	1.5
71.70645	0.2
71.71014	0.2
76.08675	0.1
77.47841	0.1
79.05469	0.5
81.03402	5.1
81.07043	0.6
83.04971	0.2
85.02891	2.7
85.06550	0.2
87.00821	0.6
91.05463	11.1
92.28571	0.2
93.07029	0.6
95.04986	0.3
95.08603	0.5
97.02317	0.2
97.02881	2.1
97.06512	0.4
99.04434	1.5
103.30373	0.1
105.07011	0.6
107.04915	0.2
107.08562	0.5
109.02862	6.8
109.10126	0.4
110.03207	0.2
110.38998	0.1
119.04922	27.5
119.08537	0.4
120.05244	0.5
121.10089	0.4
123.11633	0.2
127.03896	4.4
129.01794	0.7
129.06985	0.3
131.08556	0.2
133.10106	0.4
135.11697	0.2
143.08598	0.2
145.10109	0.4
147.04382	100.0
148.04723	2.6
149.13216	0.2
159.11673	0.6
161.09579	0.2
161.64963	0.1
163.03813	0.2
163.11151	0.2
165.05463	2.2
173.13152	0.2
174.37740	0.1
175.14827	0.2
180.29599	0.1
187.07524	0.2
187.11160	0.2
187.14825	0.2
203.06737	0.1
215.10605	0.3
231.06705	0.2
231.90875	0.2
232.06807	0.2
241.03882	0.2
291.08588	1.8
309.09674	0.2
329.85089	0.2
377.08545	0.5
395.09723	2.0
395.29388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.2
53.03938	1.2
55.01858	0.4
55.05492	0.7
57.03411	0.7
61.02910	0.5
65.03926	1.1
67.01852	1.0
67.05489	0.9
68.99776	0.6
69.03413	3.7
69.07050	0.4
70.00146	0.7
70.00558	0.3
71.04990	1.1
73.88401	0.2
79.05492	1.0
81.03399	5.9
81.07035	1.3
83.04989	0.3
83.08601	0.2
85.02882	3.3
85.06503	0.5
87.00815	0.5
91.05459	11.9
92.05798	0.2
93.07034	1.5
95.04949	0.5
95.08573	1.2
97.02866	2.7
97.06506	0.5
98.21349	0.3
98.92018	0.2
99.04460	1.3
105.07033	1.3
107.04934	0.4
107.08552	1.0
109.02856	8.0
109.06497	0.5
109.10143	0.6
111.04468	0.3
111.08096	0.3
112.99975	1.0
115.05425	0.2
117.07008	0.5
119.04916	26.7
119.08556	1.0
120.05239	0.6
121.06494	0.6
121.10135	0.6
123.04414	0.4
123.08012	0.4
123.11682	0.3
125.06095	0.2
127.03889	4.3
128.06168	0.2
129.01784	0.3
129.06935	0.3
131.08521	0.9
133.06468	0.2
133.10115	0.5
135.08025	0.3
135.11676	0.6
137.05913	0.4
141.06932	0.2
143.08508	0.4
145.06471	0.2
145.10106	1.2
145.82014	0.2
147.04376	100.0
148.04715	2.5
149.13240	0.3
151.07497	0.3
155.08534	0.2
157.10117	0.4
159.11694	0.5
161.09575	0.8
161.13217	0.2
162.13576	0.2
163.11102	0.5
165.05470	1.8
169.02592	1.0
171.11674	0.3
173.09581	0.4
173.13217	0.4
175.11151	0.3
175.14923	0.3
187.11108	0.5
187.14664	0.2
188.15123	0.4
189.12715	0.4
191.10660	0.3
197.13203	0.2
203.03436	0.6
215.10681	0.3
215.14293	0.4
233.11621	0.4
283.15433	0.6
291.05420	0.4
291.08588	2.0
304.69638	0.2
377.08585	0.8
377.16083	0.2
395.05634	0.2
395.09842	1.8
395.16409	0.3
395.25305	0.3
396.96027	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62592	0.2
53.03933	1.0
55.01851	0.2
55.05493	0.3
57.03429	0.5
59.59645	0.2
61.02900	0.3
62.55966	0.2
62.97002	0.2
65.03925	1.0
67.01869	1.0
67.05480	0.7
68.99768	0.4
69.03416	3.3
69.07050	0.4
70.06582	0.2
71.04987	1.0
71.31399	0.4
73.02904	0.2
78.85424	0.2
79.05485	0.6
81.03408	5.0
81.07048	1.1
83.04961	0.3
85.02894	3.3
85.06492	0.3
87.00809	0.7
91.05463	10.0
92.05798	0.3
93.07041	0.8
95.04942	0.6
95.08604	1.0
97.02876	2.5
97.06498	0.4
98.97564	0.3
99.04436	1.5
101.02420	0.2
102.20098	0.2
104.38750	0.2
105.07026	1.2
107.08549	0.8
109.02866	6.6
109.10147	0.5
115.05471	0.2
117.07037	0.3
119.04923	25.5
119.08542	0.9
120.05250	0.8
121.10094	0.4
123.04432	0.2
127.03891	4.6
129.01808	0.5
131.08539	0.7
133.10106	0.5
135.08060	0.2
135.11662	0.4
137.05908	0.2
143.08508	0.3
145.04915	0.3
145.10081	0.8
147.04384	100.0
148.04742	3.2
149.13202	0.2
151.14919	0.2
157.10094	0.3
159.08020	0.3
159.11685	0.7
161.09619	0.3
161.13185	0.3
163.03827	0.3
163.11153	0.3
165.05466	2.0
169.10149	0.2
171.11688	0.3
173.09644	0.2
175.14684	0.2
177.05464	0.2
187.07361	0.2
187.11151	0.3
187.14864	0.3
197.13203	0.3
213.04057	0.2
215.10585	0.3
220.59282	0.2
231.06470	0.2
233.15233	0.2
290.53796	0.2
291.08597	2.1
292.08835	0.2
336.10660	0.2
377.08575	0.7
395.09790	2.2
395.20139	0.2
395.29156	0.3
405.20654	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01854	0.6
55.05489	1.2
57.03409	1.2
58.98296	0.3
61.02901	1.1
65.03895	0.3
67.05187	0.3
67.05497	2.1
69.03418	4.4
69.07056	1.4
70.60450	1.1
71.04961	1.2
73.02885	0.8
75.64458	0.3
76.25848	0.3
79.05484	2.4
81.03401	2.2
81.07048	4.2
83.01346	0.3
83.04948	1.1
83.08607	0.6
84.90384	0.3
85.02892	7.2
85.06492	0.3
87.04430	0.6
91.05463	4.0
93.07027	4.4
95.04939	1.5
95.08607	3.2
97.02873	3.0
97.06493	0.6
97.10138	0.3
98.20721	0.4
99.04446	0.8
103.05415	0.5
105.07010	4.1
107.04949	1.0
107.08579	2.8
109.02882	2.1
109.06479	1.5
109.10141	2.2
111.04395	0.7
111.08042	0.4
112.99995	2.1
115.05436	0.8
117.06998	3.1
119.04928	2.7
119.08566	2.3
121.06498	2.7
121.10108	1.4
123.08037	0.8
127.03888	2.8
128.06204	0.8
129.06992	1.1
130.07726	0.6
131.04886	0.5
131.08549	5.3
133.06503	2.0
133.10081	1.0
135.08064	1.4
135.11647	1.0
137.05952	0.6
137.09691	0.4
141.06931	0.4
142.07713	0.6
143.08562	1.6
144.05643	0.8
145.04974	0.7
145.06451	4.1
145.10121	6.3
147.04393	9.4
147.08051	3.3
147.11594	0.5
148.04718	0.4
149.09596	0.5
151.07445	0.6
155.08594	1.9
156.09331	0.6
157.10165	1.5
158.07211	1.7
159.08031	6.1
159.11658	2.3
160.08731	0.5
161.09566	1.2
163.07484	0.5
163.11127	1.5
167.08507	0.6
169.02618	1.7
169.10118	1.4
171.08012	0.5
171.11694	0.9
172.08766	0.7
173.09598	10.8
173.13213	2.2
174.10074	0.4
175.11154	1.7
177.09013	0.4
182.10858	0.8
185.09566	0.6
187.11134	2.2
187.14749	2.2
189.16377	0.4
191.10674	0.4
197.13300	1.5
200.11922	0.8
209.11710	0.4
215.10826	0.4
215.14296	9.8
217.15877	2.5
227.12764	1.4
233.15331	100.0
234.15677	4.5
283.15289	2.0
377.13501	0.3
395.20935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3304
Annotation	14-Dehydroergosterol
Peak:m/z	Relative Intensity
50.66428	2.1
55.05072	2.5
55.05489	9.0
57.07067	16.4
60.32109	2.2
67.05490	7.8
69.07059	100.0
69.50465	23.3
69.67731	2.6
71.08609	5.4
79.05486	4.1
81.07053	20.9
83.08612	30.0
83.12592	2.5
91.05447	5.3
92.00469	2.0
93.07030	8.7
95.08600	15.5
97.10159	4.2
105.07012	10.6
107.08575	10.3
107.29266	2.1
109.10162	11.5
117.06900	3.7
119.08569	5.5
121.10104	6.6
123.11671	5.8
125.13240	9.9
128.29564	2.4
131.08542	6.2
133.10136	5.4
135.11673	6.2
143.08559	5.6
145.10069	8.1
147.11673	8.5
149.13245	3.3
151.56989	2.2
155.64365	2.2
157.10100	4.9
159.11723	13.0
161.13211	5.4
167.08740	2.4
169.10112	4.6
171.11713	4.8
173.13258	7.5
181.10126	3.4
183.11707	3.0
185.13210	5.3
195.11710	3.5
197.13303	4.5
199.14754	5.9
207.21364	2.2
209.13245	3.6
211.14792	7.2
213.16417	5.5
223.14792	3.0
224.94769	2.3
234.87906	2.4
237.16386	3.8
243.53886	2.3
251.17873	13.0
253.19537	6.0
255.21024	3.1
269.18961	4.3
269.22742	3.0
271.20563	4.1
293.22571	6.7
295.69931	3.5
311.23676	9.3
377.31857	17.7
395.32303	24.6
395.36819	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	395.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90319	2.0
53.03922	4.2
53.79821	1.9
55.05508	11.9
57.07064	23.7
59.46128	2.1
67.05495	31.2
69.07060	30.1
71.08627	18.8
71.13036	2.3
71.71350	2.8
79.05476	14.4
81.07047	75.8
81.47930	2.3
83.08611	17.0
85.10186	13.7
91.05466	24.8
93.07027	25.6
95.04948	3.1
95.08591	42.6
97.10151	11.9
103.98804	1.9
105.07014	40.3
107.08585	22.2
109.10152	25.5
111.11694	9.4
116.48676	2.0
117.07008	17.1
119.08565	17.2
121.10130	10.9
123.11667	11.6
125.13251	3.3
129.06967	3.7
130.07762	3.2
131.08548	25.6
133.10118	39.3
135.11673	7.4
136.33188	2.1
136.95001	2.1
137.13231	6.0
143.08545	9.5
144.09329	2.1
145.10098	66.6
147.11664	29.6
149.13242	7.0
157.10170	14.7
159.11668	49.4
161.13257	8.9
163.14801	4.7
171.11678	6.4
173.13251	12.2
175.14767	6.6
175.71860	2.4
185.13216	6.8
187.14827	5.1
199.14830	7.5
201.16422	4.2
213.16399	8.0
215.18013	3.0
227.17906	5.8
241.19528	5.7
247.24196	4.1
255.21179	4.6
301.28867	3.1
345.10535	2.2
395.36713	100.0
396.36938	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.3
55.05501	11.6
57.07064	18.2
57.68399	1.1
65.03926	1.9
67.05490	24.4
69.07056	25.9
70.88891	2.8
70.89235	1.5
71.08617	15.1
73.21458	1.4
79.05477	10.4
81.07043	55.7
83.08607	16.2
85.10175	12.6
90.31641	1.5
91.04918	1.8
91.05457	21.7
93.07028	15.7
95.07998	2.4
95.08587	37.9
95.09196	2.2
96.95995	1.2
97.10156	12.7
99.11711	1.2
103.05437	1.9
105.07010	33.5
105.94364	1.0
107.08574	16.2
109.10133	20.2
111.11695	8.5
117.07014	14.4
119.08551	12.3
121.10133	9.1
123.11659	9.1
125.13263	2.5
128.06169	1.5
129.07016	2.8
130.07776	3.2
131.08537	20.7
131.65269	1.1
133.10100	31.9
135.11705	5.7
137.13251	5.4
142.07735	2.4
143.08508	7.0
144.09309	3.8
145.10094	50.7
146.10506	1.2
147.11659	26.6
148.11940	1.4
149.09682	1.2
149.13226	4.1
151.14795	2.3
157.10077	8.4
159.11668	37.3
161.13271	8.1
163.14809	1.8
171.11638	4.7
173.13231	10.6
175.14780	3.2
177.16277	1.5
185.13196	5.1
187.14807	5.6
195.12308	1.4
199.14769	6.3
201.16391	3.4
213.16315	4.7
215.17847	1.4
221.22545	1.1
227.17914	2.6
241.19540	4.3
247.24228	2.5
253.38948	1.2
255.21053	4.2
275.27469	1.2
289.28900	2.1
297.25638	1.5
395.36649	100.0
396.36957	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	395.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	2.2
55.05505	11.8
57.07073	17.7
67.05193	1.9
67.05498	22.8
69.07056	25.1
71.08618	17.2
71.67923	3.2
79.05489	11.2
81.07046	59.7
83.08604	11.6
85.10176	10.3
91.05466	22.1
93.07032	18.3
95.08597	36.9
97.10162	10.9
105.07017	29.3
107.08571	18.5
109.10136	17.1
111.11700	7.6
117.06998	16.0
119.08554	15.3
121.10156	7.4
123.11706	8.8
125.13251	3.2
129.06995	4.0
130.07774	2.2
131.07658	1.7
131.08557	20.5
133.09166	2.6
133.10118	33.0
133.11131	2.0
135.11696	6.7
137.13220	4.3
142.07735	1.4
143.08588	6.9
144.09309	1.6
145.10103	55.3
147.11665	25.9
149.13245	4.3
151.14828	1.8
157.10117	11.0
159.10361	2.9
159.11673	44.3
161.13235	11.4
163.14807	3.1
165.16283	1.5
171.11638	3.7
173.13225	16.4
175.14842	5.0
185.13268	5.9
187.14809	5.2
189.16290	1.8
191.18074	1.3
196.80568	1.3
199.14813	8.9
201.16347	4.1
213.16325	7.9
215.18011	1.6
227.17955	5.4
241.19510	6.0
245.22517	1.6
247.24199	2.6
255.21048	5.1
269.22552	2.2
275.27365	2.2
285.25595	1.6
287.27255	1.4
289.28955	1.9
297.25861	2.0
301.28824	1.7
395.36679	100.0
396.37064	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30130	3.3
53.07508	3.2
55.05500	12.0
55.44207	3.3
57.06819	3.4
57.07063	21.7
66.09324	3.7
67.05208	3.6
67.05502	30.8
69.07071	31.6
70.00201	2.9
71.08614	16.5
71.57025	3.2
71.70952	3.7
71.71297	4.5
79.05487	19.0
81.07047	54.7
83.08605	13.7
85.10123	8.2
90.61662	3.9
91.05472	25.0
91.72124	3.8
93.07016	19.4
95.08592	39.7
97.10159	14.0
105.07019	35.7
107.08581	27.5
109.10147	21.4
111.11715	8.3
115.54893	3.9
117.07001	19.6
119.08558	14.1
121.10117	10.9
123.11701	13.4
129.06995	5.9
131.08566	21.9
133.10126	33.5
143.08563	6.8
145.10107	58.8
147.11641	24.5
157.10126	10.7
159.11682	41.4
161.13258	12.3
173.13261	13.1
175.14641	4.0
199.14726	10.7
213.16408	9.3
227.17981	6.1
320.06195	4.8
395.36713	100.0
396.37076	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	396.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	17.6
55.01862	16.3
55.05501	6.8
55.22262	4.2
56.96564	37.4
56.96801	7.1
57.03428	15.7
60.04510	7.5
61.02907	14.9
65.03950	11.1
67.05490	28.1
68.05022	10.2
69.03419	62.2
69.07064	6.2
70.02940	31.9
70.06575	13.4
71.01340	11.4
71.04979	9.6
71.69258	6.0
72.04559	4.5
72.08149	5.8
73.02901	20.4
79.05482	66.6
80.05029	5.0
81.03409	60.6
81.07039	32.9
82.06535	6.3
83.04959	24.4
84.04479	11.2
84.08131	19.3
84.96030	13.2
85.02896	100.0
86.06027	6.8
87.04458	10.7
91.03908	7.2
91.05463	62.5
94.06572	8.6
95.04957	58.2
95.08566	6.2
96.04461	11.7
97.02888	53.2
97.06532	6.5
98.97573	82.6
99.04443	8.4
100.03966	21.8
101.02369	8.4
101.04740	11.3
102.05471	7.7
105.07059	7.9
106.06525	14.3
107.04951	55.7
108.04452	5.6
109.02840	24.4
109.06520	24.6
110.06063	14.7
110.97572	10.2
111.04424	32.9
116.98609	65.6
119.01891	10.4
119.04888	35.3
120.04568	5.1
121.02835	8.7
121.06480	14.2
122.06003	11.5
123.04408	59.2
124.07550	6.7
124.94634	4.6
125.05990	14.0
127.03900	28.1
128.98605	21.6
130.05031	5.2
131.00165	11.5
131.01855	9.9
133.04938	5.7
134.06015	16.4
134.99628	28.5
135.04398	53.4
137.05978	46.7
138.05382	5.8
139.03862	12.3
140.00153	5.9
143.00229	5.9
143.01810	6.3
143.13841	5.3
145.03479	5.0
145.04982	17.3
146.99641	29.0
147.04375	50.2
148.04688	5.0
149.01158	9.5
149.05934	13.0
152.07094	18.9
153.05443	16.4
158.99641	26.4
161.01196	8.5
161.02937	11.9
162.05496	7.8
162.71690	4.4
165.05449	39.5
170.08147	14.8
171.06541	5.2
173.01237	4.9
173.02939	7.3
177.00696	24.2
179.06927	7.6
180.06480	8.7
181.03458	6.6
181.04979	19.2
183.06493	44.6
185.01166	5.1
189.00716	9.9
193.00290	5.0
197.01224	9.8
198.07571	63.6
199.04385	6.4
199.06017	16.8
201.00777	8.2
209.01302	5.6
213.04201	5.2
213.12474	5.5
216.08650	90.5
217.05438	9.0
219.01654	24.9
226.05983	7.2
235.02689	10.0
237.02794	48.0
238.03357	6.9
253.03772	13.8
261.02402	5.0
269.03244	5.4
277.03601	10.5
280.06857	10.5
281.03128	5.8
295.01730	6.4
295.04379	23.5
297.08099	26.9
297.58173	6.5
313.05777	5.8
333.10248	6.3
335.17731	5.0
396.12662	8.2
396.19479	15.3
397.09930	6.1
415.09134	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	396.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	17.8
55.01855	16.8
55.05508	6.4
56.96556	57.2
57.03426	19.5
57.55626	4.6
60.04541	5.4
61.02921	22.7
61.71998	4.6
65.03934	13.4
67.05502	33.6
68.05012	5.1
69.03421	66.3
70.02958	34.0
70.03296	6.5
70.06590	8.3
71.01347	14.0
71.04980	16.5
71.69717	6.0
71.70123	6.2
73.02903	18.8
73.15184	4.2
79.05487	73.0
80.05020	7.5
80.05820	7.9
81.03407	60.0
81.07042	31.4
82.06544	5.5
83.01315	8.5
83.04984	32.3
84.04501	13.6
84.08131	22.1
84.96046	11.3
85.02897	100.0
87.04460	16.6
91.05456	56.5
93.07050	12.8
94.06579	5.5
95.04963	56.1
96.04479	7.3
97.02887	64.2
97.06529	8.4
98.97578	99.1
99.04449	20.9
100.03986	19.8
101.02399	4.9
101.04735	8.1
102.05532	8.0
105.07028	7.3
106.06544	15.5
107.04954	46.1
109.02862	25.4
109.06503	30.3
110.97578	10.7
111.04414	33.6
116.98618	78.1
119.01930	12.9
119.04922	37.3
121.06506	9.3
122.06025	9.2
123.04415	58.4
124.07603	9.8
124.43002	5.5
125.05980	7.5
127.03909	28.6
128.98607	26.6
131.00168	8.3
131.01900	10.2
133.06531	5.2
134.06004	12.4
134.99638	32.0
135.04425	45.3
135.65559	4.8
137.05972	59.6
139.03918	15.8
141.05446	6.9
143.01897	6.9
145.03453	11.2
145.04935	17.7
146.99588	32.4
147.04376	72.9
148.04848	5.1
149.01169	6.9
149.05997	7.0
150.05496	6.2
151.03886	5.4
151.07568	8.4
152.07053	18.8
153.05464	20.7
158.99663	21.0
161.01199	9.8
161.02924	9.8
163.03926	9.0
165.00735	5.7
165.05484	23.5
167.07068	12.3
170.08159	6.0
170.99702	6.3
173.03032	7.1
177.00670	25.1
177.05493	6.1
179.07111	6.7
180.06529	6.9
181.04918	17.1
183.06532	39.7
189.00624	6.7
189.04184	7.6
197.01196	7.6
198.07623	50.2
199.06027	15.9
201.00732	7.0
203.04005	6.4
205.75629	5.7
208.04922	13.6
213.04349	6.2
216.08655	79.8
217.05539	14.2
219.01724	33.5
221.05103	8.0
227.02156	7.8
235.02762	12.7
237.02802	61.2
247.05106	5.8
251.02150	7.3
253.03802	16.1
261.02957	7.4
271.04678	6.3
272.91702	6.4
277.03900	13.7
278.09357	6.0
280.06976	24.5
295.04968	12.7
297.07935	26.2
297.58255	8.2
299.04105	6.7
314.71002	5.2
336.10522	12.4
378.10559	9.1
378.61041	5.6
385.62903	4.8
396.12689	7.9
396.18787	7.5
415.09061	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
55.01848	3.8
57.03422	2.8
57.07083	2.7
62.06086	3.3
67.05486	10.6
67.54858	2.5
67.65411	2.6
69.03416	11.3
70.29722	2.4
74.06076	4.3
79.05479	7.4
81.03410	42.6
81.07047	25.4
83.04966	4.0
83.08617	3.0
84.04485	4.6
84.08117	3.0
85.02887	22.6
86.09697	3.2
86.50940	3.2
91.05483	12.0
93.07047	8.4
95.04958	71.9
97.02886	6.4
97.06513	11.2
98.97580	5.5
107.04921	5.4
107.08578	17.8
108.04469	2.7
109.02873	4.3
109.06512	7.3
113.06012	17.0
116.98606	5.6
117.06960	6.5
121.06490	26.8
121.10175	4.0
123.03503	4.8
123.04409	100.0
123.08068	3.8
125.05982	8.2
125.09635	4.4
127.03866	6.9
130.04993	3.1
135.04417	4.0
135.08029	32.6
137.05960	12.9
139.07524	5.5
145.04924	7.3
149.05934	17.1
153.09044	16.9
158.99622	4.4
163.03804	3.3
163.07516	35.5
165.05434	3.7
167.07001	5.3
168.04018	2.9
173.13219	3.7
177.00684	5.5
181.05011	6.0
181.08566	88.7
181.10138	5.6
198.09721	10.7
199.09586	22.8
208.75525	2.8
223.02733	3.0
223.09105	5.9
397.11014	21.9
403.09052	3.6
419.24426	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	397.2217
Annotation	Tinocordiside
Peak:m/z	Relative Intensity
53.03941	6.2
55.01861	6.9
55.05514	18.2
57.03429	5.6
57.07059	3.4
62.96765	3.6
67.05502	33.0
69.03427	25.3
69.07059	23.3
71.04985	7.6
77.73794	3.1
79.05482	23.0
81.03410	25.5
81.07052	44.8
82.52282	3.2
83.04953	8.4
83.08603	11.4
85.02903	22.3
85.06552	5.4
91.05470	26.3
93.07043	32.4
93.80732	3.0
95.04971	10.5
95.08588	28.8
97.02866	11.2
97.06504	10.2
97.10144	7.0
99.04436	9.7
105.07012	35.1
107.04951	10.2
107.08582	28.7
109.02882	15.8
109.06487	8.2
109.10157	18.3
109.38515	3.2
111.04409	7.0
111.08098	5.2
117.07012	10.2
119.04951	9.0
119.08577	37.0
121.06503	13.4
121.10129	26.1
123.04417	5.9
123.07996	5.9
123.11695	7.2
125.09620	5.1
127.03899	19.2
129.06993	10.9
131.08539	23.7
133.06456	10.7
133.10114	25.6
135.08049	13.2
135.11658	15.9
137.05949	15.1
137.09668	4.2
143.08549	15.3
145.10117	14.1
147.04390	9.9
147.08047	8.1
147.11662	20.8
148.04785	5.9
149.09625	12.9
151.07483	4.5
157.10138	13.1
159.11674	18.7
161.09628	7.7
161.13264	5.8
163.11176	7.4
163.22400	3.4
165.12689	3.5
171.11746	4.6
173.13200	16.3
175.11188	18.0
175.14833	11.1
177.12744	5.0
185.13173	3.4
187.11261	3.5
189.16385	9.6
191.10614	3.9
199.14813	13.2
215.10657	5.8
217.12355	4.5
217.15865	45.2
217.19353	5.2
235.13347	8.0
235.16914	100.0
235.20473	5.0
243.17679	3.8
270.00787	3.5
297.29181	3.7
325.98492	3.4
351.12637	3.9
379.25412	4.8
397.12366	5.6
397.17065	9.7
397.31049	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2216
Annotation	Tinocordiside
Peak:m/z	Relative Intensity
52.66400	1.0
53.03924	2.2
55.01842	1.3
55.05503	7.2
57.03417	2.1
61.02902	2.8
65.03928	1.9
67.05493	30.2
69.03412	9.7
69.07062	4.9
70.06571	1.5
71.04975	2.1
71.29346	1.6
79.05476	9.6
81.03398	5.9
81.07041	17.1
83.04970	1.9
84.04502	0.9
85.02885	14.4
85.06523	2.2
87.04444	1.9
91.05456	10.1
93.07034	10.5
95.04932	3.3
95.08578	7.2
97.02889	6.1
97.06522	2.0
97.10129	1.1
99.04448	1.8
105.07011	13.6
107.04964	1.2
107.08577	72.4
108.08909	1.4
109.02850	3.1
109.06509	7.1
109.10138	100.0
110.10486	1.3
111.04380	2.6
111.08049	2.5
112.48012	0.9
117.06971	1.7
119.05027	1.0
119.06040	1.0
119.08559	6.8
121.06500	4.7
121.07603	0.8
121.10099	4.8
123.08053	3.5
123.11699	1.7
125.09599	2.1
127.03879	4.3
131.08534	4.2
133.10074	4.1
135.08037	7.9
135.11650	3.6
135.12639	0.9
137.05905	3.1
137.09584	2.5
141.07024	0.9
142.07738	1.2
143.08521	2.8
145.04903	2.7
145.06413	1.0
145.10077	3.6
147.07970	1.9
147.11668	8.1
149.09608	2.5
157.10101	3.1
159.11647	3.0
161.09583	11.6
161.13242	1.7
163.11127	1.2
165.12712	1.0
167.10645	4.4
171.11687	1.4
173.13277	1.9
175.11147	1.7
177.12682	1.0
179.10692	1.2
187.14723	1.1
189.12668	1.3
189.16373	2.5
199.14784	2.7
211.14912	1.0
217.15816	20.9
217.17824	1.2
235.09821	1.1
235.16890	19.9
236.17329	1.3
254.40271	0.9
397.17432	1.1
397.22260	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	397.2217
Annotation	Tinocordiside
Peak:m/z	Relative Intensity
53.03929	8.8
54.88689	2.5
55.01853	5.0
55.05511	21.1
57.03424	13.6
57.07060	5.1
58.63583	2.5
61.02922	16.9
65.03954	2.5
67.05488	10.2
69.03418	44.0
69.07048	11.7
69.98917	15.5
70.06581	10.2
71.01319	3.3
71.04963	10.6
72.08148	3.2
73.02899	5.4
79.05480	16.5
81.03410	26.7
81.07040	23.9
83.04951	14.1
84.08155	7.1
85.02378	6.0
85.02893	96.1
85.06519	11.5
86.09666	3.0
87.04466	6.1
88.51147	2.6
89.06015	4.2
91.03962	6.1
91.05466	11.7
93.07030	29.4
95.04940	9.5
95.08599	17.2
97.02880	37.6
97.06512	5.3
98.20722	4.2
99.04446	9.5
99.08060	3.5
101.06042	4.6
105.07015	33.6
107.04917	6.8
107.08568	33.9
109.02869	12.9
109.06490	11.7
109.10123	14.7
111.04494	3.4
111.08044	14.5
115.05442	4.6
117.07000	7.9
119.04896	3.9
119.08565	40.2
121.06494	9.6
121.10101	16.7
123.08054	9.4
125.09581	5.8
127.03882	23.2
127.07541	3.1
129.07013	5.6
131.04875	4.6
131.08560	15.2
133.06461	4.0
133.10138	26.4
135.08063	8.2
135.11679	43.7
137.05972	3.1
137.09592	11.2
137.13193	3.4
139.11191	2.8
142.07750	4.3
143.08649	5.8
145.04974	15.3
145.10138	15.3
147.04308	5.2
147.08051	6.7
147.11665	16.7
149.05943	5.2
149.09592	67.3
151.07544	2.7
151.11026	3.1
153.09090	3.7
155.08463	4.3
156.09270	4.4
157.10095	12.9
159.08003	6.1
159.11604	17.3
161.09596	20.2
161.13197	3.8
162.07674	4.8
163.11151	11.8
165.05428	3.0
167.07053	3.8
171.11646	9.4
172.07578	4.5
173.09634	2.7
173.13257	30.9
174.13982	4.8
175.11140	6.9
175.14795	38.0
177.00696	3.5
177.12747	4.7
183.11815	3.0
188.05621	3.8
188.07126	13.2
189.12749	7.2
189.16374	10.9
191.14349	6.5
199.14777	11.9
201.12750	3.3
217.15846	100.0
218.16176	6.6
219.17506	5.0
220.54356	2.9
229.16086	3.4
234.98871	3.6
235.16907	97.0
236.09062	15.5
236.17128	6.6
237.02803	3.7
266.08829	9.0
301.18027	4.3
361.20114	3.4
379.12256	5.3
379.20755	3.7
397.14273	3.8
397.22308	37.7
398.13104	5.9
398.22208	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	13.6
57.07061	6.7
57.17627	2.1
67.05499	21.5
69.07063	18.3
71.70973	4.6
79.05492	15.3
81.06603	3.8
81.07043	40.2
81.33517	2.1
83.08613	12.7
87.04462	3.4
91.05458	18.8
93.07034	53.6
95.08594	58.8
97.10149	7.9
99.08075	6.4
105.07015	33.9
107.08579	50.9
109.10145	52.4
111.11714	2.1
117.06970	3.4
119.08570	47.3
121.10127	100.0
123.08023	2.1
123.11691	16.9
131.08542	7.2
132.80836	2.2
133.10107	59.9
135.11678	40.2
137.13214	3.3
143.08549	3.3
145.10074	14.8
147.11674	27.2
148.27254	2.2
149.13239	18.7
151.14804	2.6
152.45645	2.0
157.10068	4.2
159.11658	14.7
161.13246	22.5
163.14830	12.8
171.11632	3.5
173.13277	18.3
175.14807	30.0
177.16338	10.5
185.13350	5.0
187.14787	11.9
189.16328	23.8
189.96552	2.1
191.17932	50.7
201.16362	10.9
203.17929	27.9
205.15927	2.8
205.19543	5.5
213.16345	3.3
215.17917	7.1
217.19508	29.7
224.90562	2.2
229.19466	8.5
241.19466	4.8
243.20811	2.2
255.21112	3.1
269.22589	3.7
283.24142	3.4
301.25275	3.5
309.25699	3.5
313.25305	3.2
325.28821	18.1
327.26517	3.5
379.33612	10.8
397.34711	37.0
398.35141	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	397.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.6
55.05501	18.3
57.06845	2.1
57.07067	28.3
67.05136	4.1
67.05489	55.9
69.06693	2.8
69.07058	54.9
70.98502	7.5
71.08614	31.0
79.05480	28.3
81.07043	100.0
83.08601	25.3
85.10155	19.0
85.72021	2.2
91.05456	25.1
93.07030	42.9
95.08588	83.7
95.09196	4.2
97.10146	20.0
98.94246	2.1
105.07012	52.2
107.07903	3.8
107.08570	40.3
109.10137	63.4
111.11667	11.4
119.08562	42.4
121.10123	29.9
123.11681	21.4
131.08566	7.1
133.10098	33.9
135.11670	50.3
137.13222	8.6
145.10107	6.7
147.11658	93.6
148.11897	2.3
149.13228	31.8
151.14819	5.7
152.66888	1.9
159.11685	6.7
161.13232	75.8
163.14793	15.2
165.16383	3.6
173.13312	3.7
175.14772	23.9
177.16400	3.7
180.76657	2.5
187.14842	6.8
189.16351	12.9
201.16357	8.5
203.18008	12.0
215.17885	13.9
217.19386	5.5
229.19467	7.3
231.21107	2.4
243.21048	12.7
257.22610	9.0
261.25656	2.8
287.27298	8.8
301.28900	3.4
315.30316	4.1
353.66577	3.0
397.38223	95.2
398.38617	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	398.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28436	0.2
55.01864	1.4
56.05023	0.3
57.03202	0.3
57.03432	3.3
58.22588	0.3
61.02922	0.7
62.21534	0.2
69.03419	1.9
70.02946	0.3
70.06578	1.0
71.01337	0.9
71.04993	0.3
71.09794	0.7
72.08122	0.3
73.02901	1.5
81.03407	0.7
81.07038	0.3
84.04504	0.3
84.08131	0.2
85.02892	4.3
85.06510	0.3
86.09689	0.5
87.04431	0.7
91.05444	0.4
95.04967	0.3
97.02889	1.5
99.04453	0.4
101.20222	0.3
103.03899	0.3
103.05451	3.5
109.02845	0.5
109.05063	0.2
113.01614	0.4
113.02351	3.9
115.03914	0.8
119.03539	0.8
120.49548	0.2
120.79486	0.2
121.02850	0.3
127.03898	0.9
129.05490	0.2
131.04910	7.9
133.04944	0.4
133.06471	0.3
135.06654	1.7
136.06161	14.7
137.04582	0.9
145.04974	0.7
146.04546	0.6
146.09608	0.4
148.05165	1.2
149.05899	0.3
150.07732	0.4
155.05588	0.7
160.06221	1.2
161.04591	1.4
161.05762	0.3
162.07729	33.1
163.07463	4.8
175.07637	0.3
178.07216	2.3
184.07285	1.0
188.05646	30.2
189.05927	1.0
201.09026	0.5
206.06709	21.1
207.07126	0.6
216.05096	1.1
219.13844	0.3
220.08267	7.1
228.29007	0.3
234.06151	0.4
236.12891	0.3
248.07762	2.9
266.08804	100.0
267.09109	4.0
398.12991	22.2
399.13013	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69435	1.0
54.46410	0.8
56.96552	2.3
57.07058	1.5
61.02911	1.0
63.95083	1.0
67.11285	0.9
69.03400	2.5
70.06564	2.6
71.08614	1.6
71.69577	1.4
72.66851	0.9
72.82208	0.9
73.02889	1.3
79.05466	1.3
81.03406	2.0
83.04968	1.7
84.08163	1.1
85.02903	6.1
85.10162	0.9
91.05497	1.6
93.07037	1.4
95.04964	1.5
97.02878	5.1
98.97563	3.6
99.04443	1.2
101.05987	1.8
103.05399	0.9
105.07030	1.2
109.02879	1.0
109.06467	0.8
111.04407	1.8
116.98567	2.6
119.01953	1.0
121.06483	2.5
127.03895	2.3
129.05467	2.3
131.04939	4.3
133.06508	1.0
136.06163	30.3
137.05957	1.3
146.99646	1.5
147.04349	1.2
147.06459	1.8
149.05966	3.7
161.01248	1.2
165.04141	1.1
165.05515	1.1
167.07031	2.0
175.65800	0.9
177.00729	1.8
179.07095	1.5
203.05295	6.8
212.06168	1.7
219.01706	1.5
219.06256	15.2
237.02924	2.9
237.07344	7.0
244.04312	1.2
250.09349	1.1
268.10284	1.9
399.12582	100.0
400.12988	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	399.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.4
55.01853	1.4
55.05489	1.2
56.96548	4.3
57.03410	0.8
57.07051	1.3
58.61531	0.6
61.02900	1.0
65.03921	0.8
67.05470	1.6
69.03421	3.7
70.06579	2.5
70.24854	2.1
71.01331	0.9
71.04974	2.0
71.08601	1.4
72.08134	1.1
73.02885	0.8
79.05482	2.6
81.03403	18.0
81.07034	1.0
83.04957	1.5
84.04464	1.1
84.08135	1.5
84.96002	2.2
85.02883	6.2
85.10152	1.0
87.04416	0.9
91.05456	2.6
93.07037	2.2
95.04953	5.8
96.05238	0.8
97.02843	5.0
98.97559	11.5
98.98151	1.1
99.04413	1.9
102.05527	1.2
103.05480	0.8
105.07021	0.8
107.04929	0.8
109.02840	1.1
109.06498	1.0
110.97567	1.4
111.04419	5.1
112.99129	1.1
116.07049	1.0
116.98612	9.2
117.06937	0.9
118.01095	0.7
119.01861	0.8
119.04900	1.7
119.10928	0.6
121.06465	2.1
123.04411	9.4
124.04721	1.1
127.03880	1.7
128.98613	3.8
129.05450	1.3
130.08600	2.1
131.00160	1.5
131.04898	1.3
134.99631	3.8
136.06148	4.3
136.07613	0.6
137.05954	2.5
139.07498	0.8
143.00102	0.8
145.03351	0.7
145.04910	1.0
146.99626	3.2
147.04382	1.9
147.06450	0.8
149.05971	2.9
156.03328	0.9
158.99649	5.8
161.01193	1.6
161.04634	1.7
165.05447	1.2
167.07024	4.2
168.07298	1.1
170.99605	1.3
173.01216	1.6
174.04335	1.5
174.55167	1.4
177.00648	6.8
179.06941	0.8
183.06543	1.6
185.01268	0.7
186.04393	4.4
189.00674	1.0
191.02271	1.2
198.07512	1.1
202.04922	0.8
204.05356	3.3
212.09264	1.1
213.00749	1.0
219.01709	6.4
227.02136	0.9
227.06812	1.3
227.68587	0.7
228.05322	4.1
237.02786	6.3
242.07216	1.6
244.04262	2.0
244.07736	3.3
246.06413	1.6
249.02780	0.9
250.09422	2.0
255.01642	1.1
267.06165	1.2
267.08899	0.8
268.10379	0.7
272.60416	0.8
291.07278	0.9
303.07550	1.9
309.08530	1.2
321.08527	3.0
322.09064	0.9
348.06915	1.2
363.09647	2.7
364.10196	0.9
381.11621	4.2
381.20224	0.9
399.12570	100.0
400.12851	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	399.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.5
52.11182	0.5
53.03927	2.0
55.01854	1.7
55.05500	0.6
57.03425	5.8
59.04976	0.5
60.54874	0.5
61.02914	3.3
67.05502	0.5
69.03422	10.8
70.06588	0.8
71.01339	1.0
71.04978	1.6
71.08584	0.6
71.43573	1.0
73.02892	1.3
75.04471	1.3
79.05460	0.7
79.45076	0.4
81.03401	5.7
81.07027	0.9
83.04951	0.7
85.02890	24.2
85.06503	0.9
86.09711	0.7
86.44101	0.4
87.04462	2.2
91.03943	0.5
91.05450	1.1
95.04925	1.4
95.08580	1.7
97.02872	8.2
99.04441	3.0
102.04674	1.3
103.04002	2.2
103.05448	48.1
104.05754	0.6
105.07028	1.7
107.04901	0.9
109.02864	4.7
115.03899	0.6
115.05440	1.1
117.05449	1.4
121.02831	0.6
123.07990	0.5
127.03893	8.0
129.05420	0.6
130.04115	1.7
131.04904	100.0
132.05244	3.0
133.06464	1.4
135.07939	0.5
136.06128	1.0
137.09586	0.5
145.04980	2.3
146.06027	0.5
148.05170	12.4
160.05098	0.6
161.05946	4.4
161.09677	0.5
162.07739	1.9
163.07504	48.3
164.07869	1.4
173.09607	0.6
175.07549	1.7
177.05643	0.6
188.05621	2.1
189.06068	2.4
189.70535	0.6
196.66795	0.5
198.28287	0.5
201.09010	2.3
206.06674	1.6
207.06981	1.3
219.10133	0.8
221.08496	0.6
237.11180	1.6
266.08810	4.6
267.09067	8.9
399.12802	2.7
401.72574	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.5
57.07067	0.7
61.74432	0.7
67.05479	3.0
69.03419	1.6
69.07042	2.3
70.78500	1.1
70.78843	1.8
79.05468	1.6
81.03422	0.9
81.07041	4.3
83.04964	1.3
83.08588	1.2
84.04465	1.2
85.02878	1.1
91.05459	4.2
93.06999	3.8
95.04958	1.0
95.08588	3.5
97.02895	1.7
97.06499	2.6
105.07024	2.6
107.08582	2.9
109.10120	2.6
110.87555	0.7
111.04414	1.1
115.05431	1.2
117.06995	0.8
119.08510	1.2
121.10152	2.1
123.04389	1.3
123.08042	1.5
125.09669	0.8
131.08511	1.5
133.10065	1.3
135.08047	1.1
145.10107	2.1
147.04367	1.6
147.11681	1.0
153.01775	1.5
157.10094	1.1
159.11647	1.6
169.10065	0.9
177.12646	0.8
185.04178	16.7
185.05698	1.5
191.85672	1.0
201.16260	1.1
217.04929	1.7
229.04970	0.8
237.14584	100.0
238.14911	3.5
245.04420	1.8
255.14360	1.5
271.06247	0.9
299.05472	2.5
301.03391	2.4
303.05103	1.1
313.03345	5.7
324.43323	0.8
326.04404	0.9
355.08066	3.0
399.11307	17.2
399.19827	92.0
400.11337	1.8
400.20255	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	399.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.01857	7.2
55.05508	11.9
57.03417	8.7
57.07066	6.0
58.79741	2.0
59.04995	3.7
61.02911	5.7
61.72492	2.0
65.03932	4.8
67.05497	22.0
69.03420	25.7
69.07054	12.2
70.06567	5.2
71.05001	12.7
71.08611	6.6
71.69904	4.1
72.08086	2.2
73.02895	4.3
75.04462	2.2
79.05470	19.1
81.03397	8.9
81.07044	57.5
83.04979	4.8
83.08614	3.2
84.08118	2.7
85.02891	37.7
85.06526	8.7
85.10121	2.4
86.09689	3.5
87.04463	3.5
91.05466	19.1
93.07028	62.0
95.04946	12.4
95.08588	42.6
95.09195	3.2
97.02879	18.2
97.06514	51.4
99.04424	3.3
103.05412	2.2
105.07016	28.8
107.04951	4.1
107.08572	29.4
108.63158	2.3
109.02871	6.7
109.06514	18.1
109.10129	23.6
111.04412	3.7
111.08076	8.9
113.05949	2.8
113.44016	2.0
116.07054	3.1
117.06981	7.9
119.08557	32.7
121.06525	7.3
121.10125	25.3
123.08045	45.8
123.11684	28.8
125.09590	11.1
127.03899	9.4
127.07582	3.4
127.11185	5.8
129.05437	3.3
129.06993	2.4
131.08565	15.5
133.06493	2.5
133.10133	24.4
135.04414	2.5
135.08049	7.2
135.11650	7.3
137.05940	5.7
137.09570	13.3
139.11249	2.2
142.07693	3.0
143.08580	5.5
144.09242	2.8
145.04936	3.6
145.06528	3.2
145.10077	18.8
147.06480	3.5
147.08032	3.1
147.11652	22.4
149.09572	15.8
149.13263	4.2
151.07573	3.5
151.11163	18.1
155.08496	3.6
157.10117	9.0
159.11655	24.3
161.09628	7.8
161.13268	6.0
163.03894	3.0
163.07590	2.2
163.11166	17.3
166.73178	2.3
167.07016	4.3
169.10197	2.6
171.11705	4.8
173.09642	4.6
173.13231	11.0
175.11166	5.7
175.14793	4.0
177.12730	6.8
179.10666	3.2
181.04906	4.4
183.52483	2.3
187.11143	3.0
191.10825	2.4
191.14279	3.3
191.17879	4.6
195.01041	3.4
197.11584	2.3
201.12660	3.2
201.16364	19.7
217.15926	3.3
219.13843	6.6
219.17412	100.0
220.17790	4.1
231.17543	2.1
237.14796	5.5
237.18384	5.7
277.14734	2.7
295.15482	2.6
381.22803	5.2
399.10513	4.0
399.15607	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	399.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.1
55.05490	9.7
57.03418	7.2
57.07048	4.5
58.90019	3.2
61.02903	6.5
67.05489	27.1
69.03407	16.3
69.07045	14.7
70.06513	28.0
71.04974	11.8
73.02889	4.0
76.04237	3.3
79.05480	26.4
81.03417	8.7
81.07043	100.0
83.04955	7.4
83.08622	4.4
84.61265	3.3
84.94437	3.5
85.02895	32.0
85.06526	4.0
86.09677	4.1
91.05453	21.5
93.07031	52.9
94.12769	3.8
95.04951	12.8
95.08594	44.0
96.08941	3.7
97.02872	10.6
97.06516	8.7
99.04469	6.0
103.05407	4.0
105.07012	57.1
107.08573	43.9
108.15672	3.7
109.02869	4.4
109.06511	17.8
109.10124	39.6
110.10446	4.5
111.08054	4.0
117.06996	10.1
119.08559	28.0
121.02834	5.9
121.06473	4.6
121.10128	53.5
123.08021	10.3
123.11674	11.7
125.09614	12.1
125.89051	3.5
127.03903	5.7
127.11171	9.2
130.07790	5.2
131.08582	17.9
133.10121	26.2
135.11684	13.3
137.09631	4.6
143.08591	4.4
145.04965	6.0
145.10106	38.4
147.08014	4.0
147.11664	13.3
149.09557	6.1
149.13208	6.9
151.11150	11.7
157.10127	7.0
159.11694	34.8
161.09583	3.5
161.13237	20.2
163.11171	14.9
173.13269	7.9
175.14851	4.3
177.12724	5.7
183.21872	3.4
191.17932	4.8
201.16371	25.5
219.06493	4.9
219.17383	23.4
237.18552	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2375
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
51.58279	2.1
53.03933	6.6
55.01863	4.7
55.05510	13.0
57.03426	6.4
57.07062	3.4
59.04980	2.7
61.02916	4.0
64.81914	2.0
65.95966	2.2
67.05502	20.5
69.03418	36.6
69.06685	3.2
69.07062	53.9
70.06586	4.5
71.04986	7.5
71.08611	3.1
71.70735	3.4
73.02914	2.4
79.05495	17.7
81.03402	12.5
81.07049	45.2
83.04974	14.4
83.06095	6.6
83.08608	5.7
84.04501	43.3
85.02893	25.5
85.06555	6.8
87.04438	3.3
89.11389	2.2
91.05473	21.6
93.07034	73.9
95.04948	12.9
95.08600	37.7
97.02878	12.4
97.06520	14.4
97.10176	3.5
99.04400	3.4
99.08080	8.6
101.06029	2.9
101.07142	3.0
102.05536	9.6
103.05491	3.1
103.11783	2.0
104.07364	2.3
105.07010	28.1
107.04955	4.0
107.08590	33.7
109.02863	5.1
109.06499	8.5
109.10135	25.7
111.04427	2.8
111.08080	9.7
111.11700	2.8
113.09632	50.4
117.07009	6.5
119.05010	2.0
119.08586	20.0
121.06488	10.7
121.10132	46.5
123.08059	4.3
123.11682	8.9
125.09614	7.2
127.03906	6.0
129.05597	3.5
129.06517	15.1
129.39909	1.9
130.04991	49.2
131.04921	2.5
131.08545	14.3
133.06483	3.1
133.10135	13.4
135.08083	4.7
135.11703	10.4
137.09569	3.0
139.11154	49.7
143.08543	4.0
145.04979	3.5
145.06516	4.2
145.10117	27.1
147.04420	4.2
147.06650	2.2
147.07600	13.1
147.11678	6.4
148.06084	4.1
149.05905	2.3
149.09589	10.6
149.13251	7.4
151.11107	4.6
153.01822	13.3
155.08514	3.2
157.10072	5.6
159.08009	2.9
159.11674	14.8
161.13222	14.4
163.03944	2.3
163.11182	16.7
165.12630	2.8
173.13271	6.0
175.11221	2.4
175.14832	4.2
181.04996	2.4
189.05402	2.4
201.05409	2.9
201.16374	11.1
203.17949	4.8
219.17416	100.0
220.17836	2.7
221.18930	3.6
237.14856	3.9
237.18529	28.6
269.04489	2.4
300.77939	2.1
307.09952	3.1
309.07520	4.2
332.96378	2.2
355.08075	47.1
356.08487	4.6
363.21744	2.1
364.25024	2.1
377.04221	2.0
399.10416	17.8
399.14917	2.3
399.19553	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2373
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
53.03937	3.8
55.01857	7.2
55.05508	11.9
57.03417	8.7
57.07066	6.0
58.79741	2.0
59.04995	3.7
61.02911	5.7
61.72492	2.0
65.03932	4.8
67.05497	22.0
69.03420	25.7
69.07054	12.2
70.06567	5.2
71.05001	12.7
71.08611	6.6
71.69904	4.1
72.08086	2.2
73.02895	4.3
75.04462	2.2
79.05470	19.1
81.03397	8.9
81.07044	57.5
83.04979	4.8
83.08614	3.2
84.08118	2.7
85.02891	37.7
85.06526	8.7
85.10121	2.4
86.09689	3.5
87.04463	3.5
91.05466	19.1
93.07028	62.0
95.04946	12.4
95.08588	42.6
95.09195	3.2
97.02879	18.2
97.06514	51.4
99.04424	3.3
103.05412	2.2
105.07016	28.8
107.04951	4.1
107.08572	29.4
108.63158	2.3
109.02871	6.7
109.06514	18.1
109.10129	23.6
111.04412	3.7
111.08076	8.9
113.05949	2.8
113.44016	2.0
116.07054	3.1
117.06981	7.9
119.08557	32.7
121.06525	7.3
121.10125	25.3
123.08045	45.8
123.11684	28.8
125.09590	11.1
127.03899	9.4
127.07582	3.4
127.11185	5.8
129.05437	3.3
129.06993	2.4
131.08565	15.5
133.06493	2.5
133.10133	24.4
135.04414	2.5
135.08049	7.2
135.11650	7.3
137.05940	5.7
137.09570	13.3
139.11249	2.2
142.07693	3.0
143.08580	5.5
144.09242	2.8
145.04936	3.6
145.06528	3.2
145.10077	18.8
147.06480	3.5
147.08032	3.1
147.11652	22.4
149.09572	15.8
149.13263	4.2
151.07573	3.5
151.11163	18.1
155.08496	3.6
157.10117	9.0
159.11655	24.3
161.09628	7.8
161.13268	6.0
163.03894	3.0
163.07590	2.2
163.11166	17.3
166.73178	2.3
167.07016	4.3
169.10197	2.6
171.11705	4.8
173.09642	4.6
173.13231	11.0
175.11166	5.7
175.14793	4.0
177.12730	6.8
179.10666	3.2
181.04906	4.4
183.52483	2.3
187.11143	3.0
191.10825	2.4
191.14279	3.3
191.17879	4.6
195.01041	3.4
197.11584	2.3
201.12660	3.2
201.16364	19.7
217.15926	3.3
219.13843	6.6
219.17412	100.0
220.17790	4.1
231.17543	2.1
237.14796	5.5
237.18384	5.7
277.14734	2.7
295.15482	2.6
381.22803	5.2
399.10513	4.0
399.15607	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	399.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
53.89102	1.6
55.05502	15.9
57.07063	6.1
59.04996	1.8
63.67582	1.6
67.05489	18.8
69.03401	2.1
69.07057	22.1
71.04998	1.6
71.08614	3.3
71.26917	2.3
71.27321	3.5
79.05486	16.3
80.15993	1.5
81.07046	49.6
81.17329	1.5
83.04968	3.7
83.08617	8.7
85.06534	2.6
85.10171	2.0
88.07615	2.4
91.05450	13.8
93.07034	45.1
95.04942	3.6
95.08593	100.0
96.49346	1.6
97.06528	4.0
97.10155	7.2
99.04433	4.7
101.06002	6.7
105.06341	2.2
105.07021	27.8
107.08580	62.1
109.06515	4.7
109.10136	39.8
111.11696	1.8
117.06988	2.3
119.08570	31.1
121.06459	1.8
121.10131	57.1
123.08079	2.5
123.11688	15.8
131.08556	9.2
133.10110	32.5
135.08040	7.0
135.10637	3.3
135.11678	60.8
137.13210	8.3
143.08463	1.9
145.10107	7.7
147.06564	2.1
147.08051	2.8
147.11667	29.8
149.09602	3.6
149.13239	36.1
151.14934	1.8
153.09106	5.7
157.10143	3.2
159.11655	15.2
161.13239	16.9
163.11153	3.7
163.14810	13.4
165.12776	3.4
167.10641	3.0
171.11716	3.8
173.13239	9.3
175.14775	11.4
177.12753	12.7
177.16393	3.8
181.12236	6.3
183.11792	1.7
187.14842	3.9
188.31262	1.7
189.12834	2.0
189.16379	15.1
191.14342	13.7
191.17917	87.6
192.18263	3.1
193.12282	2.6
195.13785	19.2
199.14822	2.1
201.16347	3.3
203.17926	23.5
205.19492	5.5
207.13789	12.9
209.15320	31.5
215.17963	2.1
217.19490	18.6
231.21069	3.3
235.16968	3.4
243.21085	2.3
257.22696	5.5
289.21729	2.3
329.24768	2.6
331.97214	2.0
381.31427	5.1
391.38733	1.9
399.32584	65.8
400.33151	3.4
400.37817	4.3
417.38815	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
53.89102	1.6
55.05502	15.9
57.07063	6.1
59.04996	1.8
63.67582	1.6
67.05489	18.8
69.03401	2.1
69.07057	22.1
71.04998	1.6
71.08614	3.3
71.26917	2.3
71.27321	3.5
79.05486	16.3
80.15993	1.5
81.07046	49.6
81.17329	1.5
83.04968	3.7
83.08617	8.7
85.06534	2.6
85.10171	2.0
88.07615	2.4
91.05450	13.8
93.07034	45.1
95.04942	3.6
95.08593	100.0
96.49346	1.6
97.06528	4.0
97.10155	7.2
99.04433	4.7
101.06002	6.7
105.06341	2.2
105.07021	27.8
107.08580	62.1
109.06515	4.7
109.10136	39.8
111.11696	1.8
117.06988	2.3
119.08570	31.1
121.06459	1.8
121.10131	57.1
123.08079	2.5
123.11688	15.8
131.08556	9.2
133.10110	32.5
135.08040	7.0
135.10637	3.3
135.11678	60.8
137.13210	8.3
143.08463	1.9
145.10107	7.7
147.06564	2.1
147.08051	2.8
147.11667	29.8
149.09602	3.6
149.13239	36.1
151.14934	1.8
153.09106	5.7
157.10143	3.2
159.11655	15.2
161.13239	16.9
163.11153	3.7
163.14810	13.4
165.12776	3.4
167.10641	3.0
171.11716	3.8
173.13239	9.3
175.14775	11.4
177.12753	12.7
177.16393	3.8
181.12236	6.3
183.11792	1.7
187.14842	3.9
188.31262	1.7
189.12834	2.0
189.16379	15.1
191.14342	13.7
191.17917	87.6
192.18263	3.1
193.12282	2.6
195.13785	19.2
199.14822	2.1
201.16347	3.3
203.17926	23.5
205.19492	5.5
207.13789	12.9
209.15320	31.5
215.17963	2.1
217.19490	18.6
231.21069	3.3
235.16968	3.4
243.21085	2.3
257.22696	5.5
289.21729	2.3
329.24768	2.6
331.97214	2.0
381.31427	5.1
391.38733	1.9
399.32584	65.8
400.33151	3.4
400.37817	4.3
417.38815	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57721	0.1
55.01862	0.9
56.96544	0.2
57.03431	1.5
59.05001	0.4
61.02904	0.4
63.18095	0.1
67.05490	0.1
69.03419	3.0
70.06588	0.2
71.01329	0.4
72.08137	0.2
72.93754	0.2
73.02907	1.0
79.05461	0.2
79.35217	0.1
81.03396	0.5
82.94864	0.1
84.04482	0.2
84.08112	0.3
85.02889	2.1
87.04443	0.5
91.05470	0.4
94.04037	0.5
95.04931	0.5
97.02874	2.5
98.03139	0.1
98.97569	0.6
99.04426	0.4
101.05975	0.1
103.03898	0.2
103.13239	0.1
107.04946	0.2
107.11457	0.1
109.02863	0.2
111.04443	0.2
114.01839	0.2
115.03912	0.9
116.98569	0.5
119.03516	0.8
121.06495	0.9
123.04384	0.3
127.03905	0.4
128.98657	0.2
133.04924	1.1
134.99638	0.3
136.06161	100.0
137.04630	0.9
137.06653	0.9
139.03781	0.1
143.03430	0.2
145.04955	0.3
147.04382	0.2
149.05930	1.7
156.92238	0.1
157.04985	0.2
158.99561	0.2
165.05415	0.2
167.07016	1.3
170.40575	0.1
177.00760	0.3
181.04956	0.2
187.05910	0.2
219.01663	0.2
226.22862	0.2
237.02896	0.3
238.10768	0.2
249.02701	0.2
268.10376	8.7
269.10425	0.2
291.03842	0.2
315.09082	0.2
400.14563	3.3
400.19589	0.3
401.14130	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25174	3.7
52.64330	3.6
55.01851	9.4
56.96552	6.5
65.03900	3.7
67.05473	4.1
67.38206	3.6
69.03412	12.1
70.06602	10.1
70.65266	14.7
79.05466	3.7
81.03391	12.1
83.76698	4.2
84.08161	3.8
84.96015	6.0
85.02882	16.5
86.06042	4.5
86.09682	4.8
88.18620	3.7
95.05013	5.7
97.02926	4.3
98.97568	12.1
99.04432	4.1
107.04937	3.8
116.98615	11.3
121.61440	3.7
123.04420	6.6
128.98593	5.3
133.06499	5.1
134.99657	9.4
136.06178	12.9
137.05927	7.3
146.99637	4.6
149.05904	8.1
153.05482	3.9
165.05394	5.0
167.07050	9.4
177.05499	6.5
181.04941	75.6
191.07001	3.8
203.05191	6.9
207.06435	4.5
209.08052	7.2
237.02802	9.5
239.02325	4.9
240.12279	4.2
265.65549	4.1
401.08423	100.0
401.13760	24.4
402.08936	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	401.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	56.7
65.03905	2.1
67.05482	3.9
69.03079	1.7
69.03415	12.1
70.06582	4.4
70.47657	1.8
70.95472	5.7
73.02888	3.1
79.05470	9.4
81.03420	13.0
81.07020	6.2
84.96018	33.3
85.02883	11.5
87.04442	2.8
91.05479	10.4
94.66695	2.0
95.04936	7.9
97.02867	9.2
97.96791	2.5
98.97567	100.0
101.00851	2.7
102.97021	6.3
107.04925	3.5
109.02867	3.9
109.06477	5.0
110.97543	36.9
111.04405	4.6
112.99115	4.6
115.97856	2.0
116.98603	54.0
116.99355	1.8
119.01895	7.3
119.04931	4.1
123.04399	8.9
125.02554	1.9
127.03879	5.0
128.98595	56.6
131.00108	7.4
131.01863	2.9
131.04884	3.2
133.03412	3.8
134.99628	23.7
135.04398	5.3
137.04533	2.3
137.05942	3.1
139.03870	2.8
143.00128	8.0
143.01915	2.5
144.98148	3.0
146.99631	31.1
147.04355	3.2
149.01141	3.7
153.00624	2.2
155.00122	8.0
158.99646	17.5
159.03157	2.2
161.01183	12.5
161.02773	2.7
162.99142	2.6
163.00618	2.3
165.00697	4.4
167.00136	3.6
169.01767	3.0
170.99670	10.8
173.01187	9.3
177.00703	20.3
179.00182	2.6
181.01678	7.8
182.99707	2.9
183.03267	2.0
183.05020	3.0
183.06493	3.5
184.00362	2.8
185.01192	10.7
185.02762	3.9
187.02832	4.1
189.00668	8.0
191.00075	3.6
191.02235	2.2
193.01735	5.9
195.01662	2.4
197.01184	9.8
199.02792	12.3
201.00688	8.2
201.03918	1.9
203.02220	2.9
207.01791	2.3
209.01151	13.6
211.02803	12.6
213.00620	7.5
215.02147	2.8
219.01732	44.2
220.04071	8.0
220.05997	13.0
221.01227	17.6
221.04825	2.5
223.02740	7.3
227.02232	25.1
229.04008	2.2
233.01218	9.9
233.03218	2.6
237.02780	82.1
239.02231	37.6
240.02283	2.5
245.01135	3.2
245.03342	7.8
246.75313	2.4
251.02158	14.0
255.03807	5.7
255.71603	2.3
257.03226	15.8
257.08704	3.6
262.03812	2.8
263.02219	18.8
269.03308	2.7
275.04221	3.1
281.03287	24.6
281.08401	3.7
287.04355	2.2
291.03766	3.0
299.04239	17.3
299.09583	5.7
301.07718	2.7
308.67651	2.4
329.05368	3.1
341.07297	2.4
347.06332	2.4
350.06631	2.5
401.08313	22.7
401.13788	6.5
419.08350	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	401.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37347	1.8
53.03939	2.4
55.01852	2.3
57.03409	2.3
57.40668	1.9
62.93731	1.9
65.03951	3.1
67.05484	3.7
69.03404	7.2
69.07050	2.1
69.40392	2.1
69.40690	22.3
70.06582	5.0
71.04982	2.9
72.08142	13.1
72.93751	2.3
73.54688	2.0
74.40039	2.0
79.05482	19.4
81.03391	3.9
81.07043	8.5
81.99496	1.8
85.02894	11.1
85.06505	3.1
86.09687	8.6
91.05484	12.5
93.07030	5.1
95.04948	9.0
95.08577	4.3
97.02865	5.4
97.06504	2.5
98.21422	3.0
103.05413	4.6
105.06996	4.4
107.04949	31.8
107.08591	3.8
109.02871	3.7
109.06532	3.2
109.10138	2.1
115.05410	5.1
116.06232	3.3
117.07027	5.9
119.04931	3.7
119.08549	2.1
121.06477	6.1
121.10111	2.1
122.03534	2.2
123.04397	4.4
123.08075	3.6
124.05167	5.0
125.05960	4.8
125.09564	2.6
127.03956	2.3
128.06238	4.6
129.06985	6.3
131.04904	5.7
131.08554	10.2
133.10048	2.3
135.08032	3.5
137.05965	4.9
137.09572	4.4
139.07466	2.9
141.06989	6.3
144.05695	7.2
145.06476	5.3
145.10036	3.1
147.04370	3.5
149.05936	4.2
155.05933	2.4
156.05655	10.8
157.06453	4.5
158.07291	4.5
158.97414	2.0
159.08035	15.3
160.16867	1.8
161.06001	4.2
163.03882	5.0
167.07024	100.0
169.06392	3.8
173.05974	7.5
175.07481	2.5
177.05394	10.0
181.04924	5.2
181.06400	3.5
181.08543	3.0
184.05200	2.8
185.16455	2.1
186.06731	3.3
187.07494	9.8
189.06947	2.5
191.07027	14.3
193.08533	3.0
195.06548	3.4
197.05995	3.0
202.06203	4.5
203.08589	4.5
205.06628	3.9
205.08568	12.3
207.06473	4.6
208.05186	24.9
209.08101	5.8
210.06653	3.0
211.07507	2.9
217.08577	34.3
217.10497	2.8
218.07246	5.5
219.08005	13.5
219.10127	5.2
220.08809	4.6
221.05919	8.1
221.09668	2.3
226.06146	3.2
227.06764	2.1
229.08565	4.8
231.08107	11.0
231.10117	2.7
231.17065	2.6
232.08685	2.5
233.06053	2.6
233.09557	5.4
234.06927	2.8
234.98978	2.7
235.07443	3.5
236.04691	6.3
236.08252	5.4
239.06982	3.6
239.12727	5.0
240.04260	2.7
245.09557	3.9
246.06665	2.9
247.07425	10.9
247.09665	18.9
248.08337	14.8
249.05522	3.6
249.08958	4.8
254.05737	7.0
257.04477	3.7
259.07605	2.9
261.05627	2.1
261.09082	6.2
262.09900	4.5
263.06845	4.0
263.10733	10.8
264.07858	7.8
265.08585	6.4
266.05679	2.9
267.06494	7.3
268.03586	3.4
269.08047	19.2
271.09625	7.5
272.06821	4.0
275.07013	8.0
276.07803	7.8
277.08545	6.3
279.10074	9.4
281.08105	3.3
282.05304	4.3
282.08813	13.8
287.09229	2.4
288.07635	2.6
290.06036	2.4
290.09183	4.2
291.10129	16.4
292.07263	5.3
293.08029	8.5
294.08777	2.3
299.09097	4.8
300.06290	3.9
301.07132	2.2
305.08014	3.3
307.09515	12.3
308.10339	7.6
309.11078	2.6
310.08301	8.5
311.12604	2.7
315.08582	69.0
316.09277	2.8
319.09601	9.1
321.07623	4.3
323.12775	17.0
328.09399	5.3
330.06982	4.5
330.10931	85.6
331.11539	13.7
336.09921	5.7
337.10648	8.8
339.12207	8.9
343.11667	21.0
351.12225	28.4
352.13025	5.8
353.10208	4.0
356.12454	3.2
368.12628	10.3
369.13406	4.4
371.14951	3.4
383.07587	2.9
383.14795	62.1
401.08829	5.3
401.16147	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.5
55.05494	13.5
57.07043	3.4
67.05489	21.8
67.91134	2.6
69.07059	13.8
70.92827	6.2
71.04970	8.6
79.05486	24.9
81.07040	34.8
88.77337	2.3
91.05460	43.1
93.07022	46.3
95.04949	14.4
95.08592	23.4
103.05434	3.6
105.07012	100.0
105.07720	4.9
107.08572	40.0
109.06499	52.2
109.10133	18.3
111.08036	6.6
115.05441	6.5
116.06211	4.3
117.06995	21.0
119.08567	80.6
120.08870	2.6
121.10107	20.4
123.08047	5.8
123.11708	3.8
128.06189	15.1
129.06995	21.7
130.07767	11.8
131.08548	66.6
133.10109	77.8
135.08009	14.9
135.11678	15.1
137.09616	3.4
141.06963	9.7
142.07764	31.9
143.08545	49.8
144.09285	6.8
145.10095	90.2
147.07991	7.5
147.11681	12.7
149.09570	5.4
153.06982	3.5
155.08502	18.0
156.09325	16.5
157.10098	58.9
158.10889	16.0
159.11670	35.4
161.09639	3.2
161.13206	5.2
164.42293	2.6
165.06924	7.9
167.08514	10.2
168.09296	5.8
169.10091	25.3
170.10832	11.1
171.11656	32.7
172.12392	6.5
173.13234	39.6
175.14841	13.6
179.08580	12.4
180.09315	5.3
181.10101	16.0
182.10872	9.5
183.11655	24.2
184.12346	4.8
185.13234	20.5
187.14781	42.3
189.12772	3.2
192.09270	4.0
193.10091	10.3
194.10846	11.2
195.11667	24.0
196.12451	5.1
197.13205	21.2
199.14764	23.4
201.12758	7.9
201.16405	6.1
206.10883	6.7
207.11690	16.9
208.12372	5.5
209.13211	28.3
210.13980	5.8
211.14746	11.0
213.12730	4.8
219.11650	7.1
220.12320	4.4
221.13194	18.3
222.13943	4.3
223.14743	13.4
225.16267	4.4
231.11731	3.5
233.13190	5.1
235.14778	7.9
236.60159	2.5
237.16348	9.5
239.17999	5.4
241.15471	2.8
243.11519	2.9
247.14844	3.9
249.16283	3.2
251.17960	6.3
252.18701	4.7
261.16364	4.4
262.16940	2.8
263.17871	5.3
265.19571	8.7
275.17877	3.2
277.19455	5.1
278.20297	2.9
287.17798	4.0
299.17807	2.9
343.24072	6.9
401.17712	2.8
401.28397	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	401.283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	12.9
57.07048	15.2
63.14836	6.6
67.05491	21.9
69.07047	16.4
71.04988	14.4
71.30904	6.4
71.51862	7.0
71.71587	9.0
71.84270	7.4
79.05457	22.0
81.07026	28.8
83.08577	10.5
91.05473	47.5
93.07039	57.0
95.08591	30.8
103.05424	7.4
105.07013	100.0
107.08576	37.6
109.06493	47.0
109.10118	17.7
111.08026	10.9
115.05375	8.0
117.06983	20.1
119.08557	64.2
121.10099	15.3
123.11726	7.5
128.06213	15.5
129.06963	21.8
130.07753	9.6
131.08566	46.6
133.10110	67.3
135.08058	9.3
135.11655	24.3
141.06947	16.2
142.07755	21.6
143.08533	40.9
144.09300	12.9
145.10100	86.1
147.11696	9.5
147.53767	7.1
148.29024	7.7
155.08478	12.4
156.09308	24.8
157.10135	58.5
158.10808	11.5
159.11670	43.4
167.08511	14.5
169.10042	25.4
171.11678	34.4
172.12538	10.2
173.13235	34.2
175.14789	11.2
179.08400	11.3
181.10086	18.0
182.10870	8.5
183.11696	28.0
185.13202	11.7
185.36792	7.2
187.14799	36.2
193.10088	9.0
195.11696	20.5
197.13240	14.9
199.14818	15.6
206.10861	7.2
207.11717	15.0
209.13203	20.9
211.14758	12.6
221.13217	16.2
223.14708	11.7
225.30714	7.8
225.32802	7.9
235.14474	12.6
237.16245	13.9
240.03209	7.2
264.40643	8.7
305.70996	8.2
394.40048	7.2
401.28152	40.8
409.56149	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	402.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	20.0
55.05490	39.8
57.03421	27.5
60.13368	9.0
67.05489	92.8
69.03405	20.7
69.07060	58.7
70.22080	46.5
71.52327	8.1
79.05481	70.4
81.03405	14.2
81.07041	100.0
83.04951	14.6
83.08601	36.3
85.02866	15.8
91.05467	60.5
93.07027	80.0
95.04970	13.3
95.08583	42.0
97.06514	29.8
97.10151	23.5
98.96523	12.0
105.07006	44.7
107.04936	12.2
107.08584	54.1
109.10138	24.4
117.07003	17.2
119.08588	45.4
119.89730	9.0
120.09032	9.9
121.06535	10.2
121.10134	23.4
125.09590	20.3
125.88364	9.6
126.72256	10.7
129.06949	11.4
131.04909	9.5
131.08534	31.1
133.10071	30.9
135.08002	9.9
135.11673	20.7
137.05931	24.7
143.08574	12.5
145.10095	37.5
147.11609	21.4
149.09593	13.1
149.13184	11.0
159.11679	33.5
163.03906	15.2
163.11134	11.1
167.06947	12.3
173.13226	13.0
189.11255	13.4
195.13712	10.5
227.12816	12.4
229.14182	9.7
245.13776	18.7
255.15849	22.6
259.09726	14.0
269.17447	51.7
275.20087	26.8
286.20090	24.7
330.12302	11.1
349.23682	29.0
373.07410	11.1
402.12491	12.5
403.13895	19.9
403.29703	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	402.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	11.1
55.05500	73.3
57.03423	18.9
61.04276	11.4
67.05188	12.0
67.05494	84.1
69.07065	86.8
69.67692	100.0
77.85546	11.1
78.47962	11.8
79.05470	66.0
79.43887	12.6
81.07047	95.4
83.08605	24.4
91.05461	51.7
92.27546	12.2
93.07035	59.2
94.57795	10.9
95.08588	45.8
97.06512	15.2
97.10170	58.9
105.07024	64.4
107.08555	68.0
109.10117	26.7
117.07007	22.3
119.08573	34.8
121.10119	21.1
122.11669	13.2
125.09608	48.1
129.07040	14.2
131.08507	18.9
133.10100	25.0
135.11678	15.1
138.12732	16.4
145.10080	33.1
148.19397	13.0
149.13142	12.5
157.10107	14.1
159.11722	14.7
166.73973	12.3
168.79335	14.1
171.11594	19.0
175.56001	11.9
189.11185	26.0
194.15387	21.9
227.12773	33.9
245.13823	30.1
257.18875	16.2
268.19028	40.6
269.17328	27.3
275.20041	38.9
286.19986	55.2
287.13379	12.3
349.23666	48.4
366.26212	36.0
380.69272	10.9
384.27408	22.6
385.23965	15.1
403.24954	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	402.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	40.8
57.03421	25.0
63.44558	9.4
67.05493	100.0
69.03418	14.2
69.07052	64.4
70.06586	21.6
71.68312	11.3
71.71068	11.2
79.05488	81.2
81.03403	13.6
81.07044	80.9
83.05000	10.8
83.08606	40.1
89.32622	11.6
91.05473	68.2
93.07027	92.4
95.04959	22.8
95.08582	56.6
97.06524	32.6
97.10140	24.0
101.74919	10.3
105.07005	40.9
107.08565	56.5
109.10146	20.2
117.07009	15.1
119.08558	43.2
119.19313	10.0
121.10111	30.9
125.09590	21.0
129.06999	12.3
131.08524	29.9
133.10114	46.4
135.08073	11.3
135.11659	32.8
135.72031	10.3
137.09651	11.5
143.08559	15.8
145.10089	29.8
147.11674	15.1
148.12115	11.6
149.09586	20.2
149.13271	20.6
155.08441	12.0
157.10130	14.0
159.11671	35.3
171.11598	15.2
173.13284	16.6
179.14262	16.5
183.11617	13.1
187.14830	12.8
189.11198	22.9
226.86340	9.9
227.12624	22.9
239.18018	16.5
245.13821	13.7
255.15839	37.3
269.17407	71.3
275.20004	62.9
286.20081	37.9
316.62424	11.0
349.23724	43.0
393.94043	11.3
403.29965	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	402.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71000	0.4
54.30967	0.4
55.05490	0.6
57.07067	7.8
58.06581	1.5
59.86925	0.3
62.25129	0.4
67.05484	0.3
68.05024	0.4
69.07043	0.8
70.06580	16.0
70.06966	0.9
71.06886	0.6
71.08625	2.8
72.08134	0.8
79.05468	0.5
81.07024	0.5
84.08124	0.5
84.18462	0.3
85.10165	1.4
88.07617	23.0
91.05463	0.6
93.07013	0.4
95.08594	0.4
97.10096	0.4
97.92090	0.3
98.21555	0.8
102.09164	13.0
104.12019	0.4
105.07000	0.6
109.10127	0.4
119.08553	0.5
131.08598	0.4
132.10159	1.3
146.11743	1.1
150.11252	0.7
296.33026	1.1
314.34158	0.6
319.42615	0.3
322.34879	0.4
340.35690	39.5
341.36014	2.4
384.38156	2.1
402.39365	100.0
403.39655	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88143	1.3
56.96547	4.8
63.41764	1.5
67.37844	1.3
70.06586	1.9
70.95075	4.6
75.56224	1.4
78.44556	1.4
81.12546	1.4
85.02859	1.6
95.04944	2.0
98.97561	23.7
110.97543	4.4
112.94109	1.6
116.98613	11.7
123.69353	1.7
124.99078	6.6
128.98547	3.9
134.99615	3.0
137.05821	1.9
143.00151	11.7
146.99605	2.4
149.05934	2.1
158.99602	4.3
161.01213	15.6
167.64566	1.4
169.01801	2.2
170.99632	3.0
172.17351	1.5
177.00658	6.6
185.01199	2.6
187.02827	1.9
189.00667	6.5
203.02277	2.7
211.02753	3.4
219.01700	5.9
223.02744	3.3
231.01692	5.5
237.02786	7.1
261.02853	1.7
265.03732	7.7
283.04871	5.7
313.05817	2.3
403.09915	100.0
404.10229	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	403.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
62.44777	0.9
69.73048	4.4
69.73472	3.4
161.38112	1.0
201.79735	1.0
221.88547	1.0
307.98001	1.0
348.17484	1.0
403.09952	100.0
404.10318	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	403.1383
Annotation	Descurainolide B
Peak:m/z	Relative Intensity
55.01866	34.3
55.05509	1.4
57.03427	1.1
62.90615	0.8
64.18314	0.8
65.03936	5.6
67.05487	4.5
69.03417	3.4
69.76722	6.7
71.04982	4.5
77.03938	0.9
79.05477	5.1
81.03393	1.5
81.07047	3.8
82.04183	1.1
85.02888	7.3
87.61187	0.9
91.05493	5.7
93.03386	1.4
93.07034	5.7
94.03629	0.9
94.04163	4.3
95.04952	5.7
95.08589	10.1
95.09465	0.9
97.02906	4.2
97.06512	2.4
97.10180	1.1
99.04436	12.4
103.05458	19.9
105.07020	9.0
106.03469	0.8
107.04343	0.9
107.04906	5.3
107.08604	4.4
109.02872	1.4
109.06513	1.2
109.10136	1.2
109.68148	0.9
110.03693	1.2
111.04433	2.3
111.08039	0.9
115.05450	3.8
117.07012	4.9
119.04887	2.2
119.08564	30.1
121.06468	4.7
121.10148	4.2
122.03633	10.7
123.04426	3.5
123.08035	5.4
123.11691	1.2
124.05254	1.0
125.05971	3.2
125.09577	2.1
127.03946	1.0
131.04909	25.1
131.08563	3.5
133.06485	1.8
133.10106	2.2
135.04398	1.1
135.08058	1.6
135.11647	8.4
137.05960	100.0
138.03064	1.0
138.06293	1.8
142.02567	1.2
144.09288	1.7
145.06476	6.8
147.04402	3.3
149.05983	3.4
149.13243	3.1
151.03891	14.0
151.05019	1.9
152.04436	1.1
153.05438	3.7
155.07037	2.3
159.04411	5.9
159.11676	35.8
161.05960	4.9
161.13243	2.8
162.06740	1.1
163.07562	6.8
165.01613	0.8
167.03510	1.0
167.07018	30.0
171.06490	2.4
172.05215	1.0
173.06026	7.3
175.03859	2.2
175.07530	2.7
176.04654	1.0
177.05437	9.2
177.12732	27.9
179.07100	4.5
179.14310	3.8
181.04933	48.8
181.12209	1.0
182.05290	1.3
189.05470	4.0
191.06990	16.6
193.04826	1.0
194.05727	3.5
195.13701	1.8
196.07321	1.0
203.06746	0.9
205.08661	4.5
205.12207	10.7
207.06522	8.7
208.07265	2.8
209.08040	7.8
219.06490	9.9
219.13718	0.9
221.07990	5.1
222.08813	1.8
223.09708	8.2
223.13248	15.6
233.08066	7.5
241.07039	1.0
241.14140	1.5
249.07526	1.5
251.06525	2.0
251.09128	38.9
289.10736	10.6
373.12753	9.6
403.13867	47.9
404.14224	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	403.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01633	3.3
55.01865	35.7
55.05506	2.5
57.03423	5.2
61.02913	3.7
62.51033	2.3
65.03917	4.6
67.05475	7.4
69.03418	12.7
70.06557	4.6
71.70734	4.3
71.71079	3.0
71.75647	2.2
74.99249	2.1
75.95052	2.1
76.11443	2.4
79.05482	4.7
80.30636	2.3
81.03394	5.2
81.07032	6.5
85.02891	44.2
86.09668	2.8
91.05442	6.9
93.03367	3.1
93.07025	28.3
95.04933	8.4
95.08577	7.5
97.02865	10.7
97.06498	7.2
99.04445	4.8
103.05454	24.1
103.12574	3.1
105.07011	7.2
107.04959	5.8
107.08553	8.9
109.06483	4.7
109.10138	18.4
111.08080	2.7
115.05416	4.1
117.07001	5.1
119.04920	3.1
119.08557	4.8
121.06491	5.8
121.10138	14.3
122.03592	12.5
123.04386	4.6
123.08061	15.2
125.05963	4.2
125.09607	4.6
127.03892	4.8
131.04893	22.2
133.06442	3.1
135.08008	3.2
135.11649	3.0
137.05952	100.0
137.09561	19.1
139.11130	6.8
141.77628	2.4
145.04962	3.5
145.06456	7.7
145.10049	3.8
149.05873	2.4
149.09605	3.0
151.03905	17.3
151.11086	2.8
153.05472	4.3
153.09088	2.8
156.98390	2.5
159.04320	4.6
163.07481	8.3
163.11227	12.9
163.12355	2.6
165.09111	9.6
165.12793	3.1
167.07019	30.8
167.10602	3.3
171.06561	2.7
173.05974	5.8
175.03854	3.0
177.05434	9.6
179.06990	4.9
181.04924	59.5
181.12207	54.6
183.10123	2.6
189.05469	3.2
191.06995	16.9
203.49992	2.3
205.08617	2.9
205.12201	13.8
207.06470	6.9
208.07112	3.2
209.08035	6.0
219.06480	9.4
221.08067	6.7
223.09787	6.0
223.13251	84.3
224.13641	2.6
233.08054	8.4
241.14293	39.8
251.09099	43.0
265.89737	2.5
289.10645	12.7
373.12723	10.1
385.18460	7.3
403.13824	56.3
403.18945	2.6
404.14053	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	403.1958
Annotation	Spionoside B
Peak:m/z	Relative Intensity
52.65311	3.3
53.03926	6.6
55.01854	16.1
55.05503	6.9
57.03429	22.1
61.02918	8.6
61.19693	3.6
67.05489	21.2
69.03426	42.6
69.07061	6.9
69.92306	7.4
69.92712	17.8
70.06574	9.3
71.04958	8.7
72.08128	5.8
73.02901	5.5
79.05482	9.9
81.03403	31.7
81.07028	9.5
83.04965	17.8
83.08595	8.5
84.04491	5.0
85.02888	100.0
86.09699	19.7
87.04445	7.8
91.05470	11.3
93.07027	16.9
95.04958	16.8
95.08581	15.1
97.02870	25.8
97.06524	7.5
98.21452	4.2
98.98439	12.3
99.04393	4.7
103.05448	7.8
105.06999	16.0
107.04884	6.3
107.08559	14.1
109.02850	13.5
109.06487	11.4
109.10145	41.6
111.04433	4.2
111.08068	33.2
119.04915	4.1
119.08574	10.4
120.76662	3.9
121.06526	9.6
121.10117	15.7
122.07290	7.4
123.04409	9.3
123.08047	11.7
123.11646	3.5
125.06004	6.5
125.09628	21.8
127.03901	23.2
127.07550	6.2
131.04933	7.1
131.07025	5.1
131.08563	6.1
133.10054	5.1
135.08032	14.2
135.11659	9.8
136.99947	8.9
137.05960	36.4
137.07024	8.8
137.09593	71.7
139.07515	14.7
139.11145	12.5
141.05461	9.5
145.04971	8.7
145.10188	4.7
147.08041	8.1
147.11658	5.4
148.05231	3.6
149.09598	13.7
151.03848	12.1
153.05470	4.0
153.09085	34.5
155.01070	10.2
155.08147	6.0
155.10619	8.9
159.11668	9.7
159.31122	3.7
161.06078	4.2
161.09483	5.7
163.07449	7.2
163.11147	9.0
165.09087	28.4
167.06984	22.6
167.10680	32.6
175.03893	4.7
177.12733	15.2
179.10612	20.1
181.04919	13.0
181.12210	8.0
191.06976	5.4
193.12244	4.4
195.13817	4.4
197.11743	24.0
205.12233	12.5
207.09964	4.3
207.13789	8.9
209.90369	3.8
223.09746	4.1
223.13261	44.4
236.04375	3.5
241.14323	63.6
251.09181	8.3
403.13968	24.2
403.19113	8.8
404.15076	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	403.1958
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
51.57968	3.4
51.88316	4.2
53.03941	10.6
55.01861	7.3
55.05500	13.2
57.03435	25.4
63.98830	4.5
67.05497	29.1
69.03421	7.2
69.07049	6.0
69.39084	47.9
69.71318	3.9
71.04993	7.6
73.02886	4.4
79.05477	14.3
81.03403	43.3
81.07059	21.6
83.04961	8.0
83.08592	9.9
85.02897	15.9
85.06549	4.8
87.04464	4.0
91.05465	18.2
93.07034	21.9
93.72848	4.7
95.04955	18.7
95.08598	22.7
95.87792	3.6
97.02877	4.8
98.12261	4.1
98.20649	6.8
98.98459	27.6
99.04456	8.4
105.07018	14.5
107.04937	4.7
107.08587	14.7
109.02892	6.6
109.06477	7.0
109.10144	100.0
111.08052	4.8
117.06953	6.6
119.08535	22.2
121.06430	4.0
121.10115	13.4
121.24179	3.8
123.11678	5.4
127.03879	6.5
129.07034	4.9
131.04782	3.6
131.08533	11.1
133.10094	11.4
135.11697	5.6
136.99988	28.1
137.06009	11.2
137.09592	58.1
139.11174	4.3
143.08566	7.0
145.10126	13.3
153.05511	4.4
155.01013	28.5
157.10112	8.3
159.11687	7.3
163.03871	5.0
167.07019	22.3
169.10130	9.9
171.05022	3.9
171.11687	8.0
181.04916	8.7
181.10155	4.0
183.10156	8.5
183.11635	8.5
185.13258	11.2
193.02599	4.9
193.12187	11.0
195.07713	4.6
195.11609	4.3
197.13269	5.0
199.14757	7.2
211.03586	7.5
211.14926	4.2
213.16315	6.3
241.14314	79.5
267.15939	12.2
306.66064	4.5
385.28790	5.4
403.14920	21.5
403.19586	4.8
403.30020	22.7
408.80978	4.9
411.11447	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	403.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.0
55.01853	2.8
55.02541	1.5
55.05491	2.3
57.03427	16.9
57.07041	1.4
59.04979	3.7
59.76134	1.4
61.02928	6.9
67.05481	5.6
69.03416	30.2
71.01302	1.7
71.01655	3.5
71.04975	5.6
73.02890	4.3
81.03413	8.4
81.07050	7.8
83.04978	7.1
83.08607	3.7
85.02888	68.3
85.06521	1.6
86.09682	5.2
87.04448	4.4
91.03915	2.4
91.05450	3.1
93.07015	4.8
94.03699	1.6
95.04955	7.2
95.08563	3.6
97.02860	15.4
97.06526	3.2
99.04423	4.8
99.08069	1.7
103.03909	1.5
105.07041	3.0
107.08555	7.8
109.02859	5.0
109.06487	6.6
109.10133	8.5
111.04448	2.7
111.08051	17.8
113.02341	2.9
113.05994	2.1
119.08558	3.2
121.06519	3.4
121.10114	9.0
122.07251	2.7
123.04401	6.5
123.08054	6.6
123.11658	2.7
125.06001	3.8
125.09606	15.1
127.03905	13.5
127.07505	7.2
131.07011	3.9
133.10081	2.9
135.08054	2.4
135.11656	2.3
137.05957	3.5
137.09590	32.8
139.07506	8.1
139.11151	9.8
141.05420	11.3
141.09059	2.0
145.04921	11.3
149.05925	2.7
149.09587	6.5
151.11172	4.1
151.72804	1.4
153.09076	27.6
155.10623	4.3
157.04948	4.7
157.08527	2.2
159.11696	1.5
161.09541	3.2
163.11116	3.4
165.09081	31.1
167.07028	3.1
167.10651	15.7
177.12700	7.9
179.10645	12.5
181.12215	1.6
183.10199	3.2
185.08142	1.6
195.13811	4.5
197.11697	22.2
205.12173	12.2
223.13234	23.1
241.14307	100.0
242.14616	3.3
401.97775	1.5
403.14343	1.7
403.19507	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	404.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.0
55.01863	2.8
55.05503	1.0
60.60522	1.0
65.49298	1.0
67.05493	2.9
69.03418	2.3
69.42603	10.6
69.42934	1.0
71.04984	1.0
79.05479	2.4
81.03410	1.0
81.07030	2.1
83.04965	3.2
85.02883	5.3
91.05486	1.8
93.07025	2.5
95.04950	2.1
95.08582	4.3
97.02873	2.7
97.06564	1.1
103.05424	1.2
105.07044	2.4
107.04898	1.8
107.08594	1.7
109.06506	2.4
111.08072	1.1
115.05463	1.1
119.08590	2.8
121.06503	2.0
121.10125	5.7
122.60619	0.8
123.08053	100.0
124.08391	2.1
131.04968	1.1
133.10100	1.8
135.11656	1.5
137.05927	5.6
138.06308	1.7
145.10120	1.0
149.09590	2.7
151.03888	4.1
151.11156	7.0
167.07013	3.5
167.10669	3.2
177.05559	1.5
181.04964	4.9
181.12242	10.2
182.05280	1.1
191.06941	1.4
197.07089	2.1
203.06972	2.0
207.13725	5.6
211.08644	2.9
225.06595	2.5
225.10153	3.0
225.14828	19.6
233.07974	1.2
239.08179	5.6
245.12808	4.9
247.07362	1.0
252.09447	1.1
253.09743	5.3
255.07866	1.3
255.11226	1.5
257.09164	1.5
267.07590	3.5
271.10791	1.6
281.09253	4.2
299.10193	4.5
309.08670	8.1
311.10132	1.7
315.04871	1.8
317.11215	1.1
327.09781	11.6
329.11151	1.3
331.08136	2.6
345.10776	18.2
355.09091	2.4
373.10236	19.2
404.14066	2.4
405.12366	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	404.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25233	2.3
55.05498	5.8
67.05479	4.0
68.54594	2.6
69.03404	5.1
69.07050	5.7
69.76502	19.1
71.04982	3.2
74.06055	3.1
74.46033	2.5
74.46485	2.3
79.05483	3.4
81.03385	3.3
81.07046	8.2
83.04955	7.1
84.05381	2.5
85.02892	30.7
87.04400	2.5
89.06016	3.1
91.05453	4.4
93.07005	6.2
94.47881	2.3
95.08574	4.8
97.06523	3.6
101.59177	2.4
105.07003	8.5
106.21410	2.5
107.08569	11.1
107.28596	2.7
109.06503	17.7
109.10133	3.6
111.04485	2.9
111.08095	3.6
119.08547	10.2
121.09396	2.8
121.10117	15.9
123.08041	7.3
123.11704	22.6
131.08572	3.5
133.10089	4.0
137.05939	4.7
137.09584	33.9
147.08038	3.1
147.11638	19.3
149.09612	7.5
151.07494	2.9
151.11211	2.9
161.06046	3.1
161.13232	7.2
165.09076	3.2
165.12740	100.0
166.13120	7.1
167.07005	9.1
171.11713	3.5
179.14285	9.3
181.04892	7.7
189.12749	19.9
207.13771	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	404.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.1
55.01870	10.5
55.05494	38.2
57.03419	21.2
60.80643	7.4
63.68914	7.4
65.03930	7.4
67.05497	100.0
69.07053	38.1
70.86181	7.5
71.08601	25.6
71.70615	16.3
71.74554	6.8
79.05487	58.0
81.03401	10.0
81.07042	85.8
83.04972	21.7
83.08607	34.6
85.02872	8.7
86.16147	7.4
86.92017	7.0
91.05449	60.9
93.07037	76.0
95.04938	18.5
95.08606	60.5
97.06519	41.3
97.10143	22.0
98.98457	10.6
99.08054	32.3
105.07011	39.9
107.08577	55.6
108.47726	7.8
109.06518	11.1
109.10142	34.5
111.08097	10.1
112.99982	11.4
117.06999	22.4
119.08559	57.4
121.10130	38.4
123.08028	10.8
123.11642	9.8
125.09612	18.2
129.06990	8.0
131.08568	43.6
133.10112	32.0
135.11635	20.4
137.09509	10.2
143.08537	20.7
145.10060	38.9
147.11647	20.2
148.11946	8.6
149.05647	7.5
149.13226	29.6
151.11148	11.2
155.00969	13.8
157.10088	15.8
159.11670	41.7
161.09662	8.2
161.13254	18.2
163.03857	17.5
163.11131	8.3
169.10017	10.5
170.10899	8.8
171.11658	23.0
173.11749	12.9
173.13191	16.7
174.13489	7.9
175.14813	11.3
177.12694	26.3
185.13226	25.1
187.14767	41.6
189.11119	8.4
195.11568	10.4
195.13626	7.4
195.17780	8.0
197.13141	14.4
197.18874	7.5
197.88963	7.1
199.14809	14.6
201.16295	16.7
209.13234	8.6
213.16264	12.2
215.06848	10.1
225.16473	8.8
227.12770	17.8
237.16364	16.3
259.09625	21.5
269.17477	66.7
277.21460	10.9
286.20001	16.1
346.69785	9.0
351.25293	25.1
387.30411	16.0
404.14767	10.1
404.30194	22.5
405.26825	12.6
405.31573	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.6
55.01871	8.4
55.05510	38.6
57.03419	13.1
59.18258	8.0
67.05499	78.6
69.07065	43.4
69.07375	8.4
69.53414	75.8
71.08628	19.6
79.05479	48.6
81.07039	100.0
83.04967	21.3
83.08603	33.4
91.05474	39.8
93.07037	80.8
95.04947	23.6
95.08586	73.8
97.06506	29.9
97.10137	18.2
99.08077	32.6
105.07030	50.7
107.04929	11.8
107.08603	45.0
109.10130	25.7
111.08047	10.6
117.07011	17.9
119.08570	56.8
119.15922	8.2
121.10130	33.8
125.09612	12.4
126.75909	7.4
127.81564	7.5
129.06996	11.7
131.08575	31.2
133.10127	40.2
135.11655	19.8
143.08559	19.4
145.10109	42.0
146.10378	10.0
147.04364	11.7
147.11636	18.6
149.13225	31.0
151.11150	20.2
155.08519	11.1
157.10098	17.8
159.11668	46.7
160.12041	11.9
161.13231	16.7
163.03847	13.3
163.11159	14.3
163.14793	10.7
171.11691	15.1
173.11702	18.9
173.13200	13.0
177.12764	24.1
179.14333	17.5
183.11687	12.3
185.13206	15.4
187.14752	32.7
188.38673	8.4
189.11131	10.3
195.13860	12.1
197.13231	10.6
199.14883	11.7
201.16376	16.0
211.14819	10.2
213.16418	13.4
227.12729	12.6
237.16129	9.1
259.09561	18.6
259.20663	14.0
269.17368	81.8
273.03976	7.7
277.21524	17.0
286.20041	16.2
324.96555	7.7
351.25293	27.5
389.24744	13.1
404.30093	22.8
405.26813	13.3
405.31485	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01853	3.1
55.05492	2.3
55.23476	0.6
57.03420	1.5
59.81389	0.7
61.02898	1.2
65.03926	0.8
67.05487	8.1
69.03419	4.9
69.07060	5.0
70.06545	0.9
71.04980	5.9
71.70852	1.6
73.02923	1.0
73.80357	0.7
79.05491	3.9
80.04934	0.8
81.03419	4.1
81.07030	5.7
83.04943	1.5
83.08591	1.5
85.02890	8.2
85.06537	1.8
86.09652	0.8
91.05447	3.4
93.07031	3.8
95.04946	3.2
95.08573	5.3
97.02868	2.7
97.06509	2.2
98.98436	1.3
101.06019	0.8
105.06995	2.2
107.04916	2.7
107.08593	3.6
109.02840	0.9
109.06491	1.7
109.10150	3.8
111.04391	0.9
111.08051	0.9
115.05429	1.4
117.07013	1.1
119.08525	2.7
121.06448	0.8
121.10116	3.4
122.03619	0.8
123.04411	1.5
125.05946	1.1
125.09585	1.0
127.03890	1.9
135.11656	0.9
137.05965	5.5
137.09578	0.9
138.09079	3.4
139.11159	2.0
143.08557	0.7
145.04921	1.0
145.06459	1.9
145.10112	0.8
146.05989	0.9
147.04378	1.1
147.07805	0.7
147.11676	0.9
151.03880	1.9
156.08017	1.0
157.06398	0.7
157.10059	0.8
167.07019	5.0
169.05092	0.7
169.07506	0.9
169.76575	0.7
170.09616	1.1
173.94238	0.7
180.08044	1.1
181.04947	5.8
182.08328	1.4
183.06497	1.8
183.09047	1.5
186.07736	1.0
187.08601	3.1
189.08923	0.8
195.17491	0.8
197.07059	2.6
197.10748	3.2
197.13397	0.7
198.09198	1.2
199.08638	2.8
201.06677	1.1
203.08075	0.9
204.06439	0.8
206.08440	1.9
207.09114	6.6
207.17485	1.4
208.07652	1.4
208.44954	0.8
209.07008	1.2
209.10730	1.0
210.07823	2.3
211.08621	6.3
212.09380	1.4
213.10236	5.7
213.18521	1.0
214.07324	1.0
215.08153	13.3
217.09711	1.5
218.68967	0.7
222.07884	2.2
223.08591	3.5
224.09319	0.9
225.06580	2.9
225.10190	21.8
225.18478	4.9
226.08607	1.5
227.08292	1.4
227.11757	1.4
229.05988	1.1
229.09708	2.1
231.11127	1.2
233.08049	3.3
235.08626	10.3
236.09302	1.6
237.06612	1.0
237.10179	4.8
238.07191	5.4
239.08109	10.4
240.08835	1.6
241.09708	4.9
243.07748	4.6
243.11292	4.3
243.19543	12.9
245.12744	3.6
251.08189	4.3
252.08940	2.7
253.09680	44.6
254.10191	1.5
255.07675	2.7
255.11279	2.9
257.09122	4.0
263.08231	2.4
265.09772	4.3
266.06839	1.3
267.07620	10.8
268.08401	1.1
269.09088	3.1
271.10751	8.7
272.11462	1.4
279.07507	2.3
280.08240	1.0
281.09164	74.6
282.09579	2.5
283.10715	9.0
285.08685	2.8
285.12256	0.8
289.11789	1.2
293.09052	1.1
295.07043	2.6
296.07751	0.9
297.08667	7.9
299.10168	11.3
309.08640	100.0
310.09015	3.7
311.10196	21.3
313.08142	2.0
313.11588	1.2
317.11246	1.7
318.12045	2.4
327.09698	42.4
328.09995	1.9
329.11206	1.2
337.08133	18.4
341.11176	2.0
345.10712	16.4
355.09198	90.0
356.09375	2.9
357.13538	0.9
359.12277	2.5
369.10608	2.1
373.10220	23.8
373.14825	1.3
387.11441	9.5
405.12402	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	405.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01853	3.1
55.05492	2.3
55.23476	0.6
57.03420	1.5
59.81389	0.7
61.02898	1.2
65.03926	0.8
67.05487	8.1
69.03419	4.9
69.07060	5.0
70.06545	0.9
71.04980	5.9
71.70852	1.6
73.02923	1.0
73.80357	0.7
79.05491	3.9
80.04934	0.8
81.03419	4.1
81.07030	5.7
83.04943	1.5
83.08591	1.5
85.02890	8.2
85.06537	1.8
86.09652	0.8
91.05447	3.4
93.07031	3.8
95.04946	3.2
95.08573	5.3
97.02868	2.7
97.06509	2.2
98.98436	1.3
101.06019	0.8
105.06995	2.2
107.04916	2.7
107.08593	3.6
109.02840	0.9
109.06491	1.7
109.10150	3.8
111.04391	0.9
111.08051	0.9
115.05429	1.4
117.07013	1.1
119.08525	2.7
121.06448	0.8
121.10116	3.4
122.03619	0.8
123.04411	1.5
125.05946	1.1
125.09585	1.0
127.03890	1.9
135.11656	0.9
137.05965	5.5
137.09578	0.9
138.09079	3.4
139.11159	2.0
143.08557	0.7
145.04921	1.0
145.06459	1.9
145.10112	0.8
146.05989	0.9
147.04378	1.1
147.07805	0.7
147.11676	0.9
151.03880	1.9
156.08017	1.0
157.06398	0.7
157.10059	0.8
167.07019	5.0
169.05092	0.7
169.07506	0.9
169.76575	0.7
170.09616	1.1
173.94238	0.7
180.08044	1.1
181.04947	5.8
182.08328	1.4
183.06497	1.8
183.09047	1.5
186.07736	1.0
187.08601	3.1
189.08923	0.8
195.17491	0.8
197.07059	2.6
197.10748	3.2
197.13397	0.7
198.09198	1.2
199.08638	2.8
201.06677	1.1
203.08075	0.9
204.06439	0.8
206.08440	1.9
207.09114	6.6
207.17485	1.4
208.07652	1.4
208.44954	0.8
209.07008	1.2
209.10730	1.0
210.07823	2.3
211.08621	6.3
212.09380	1.4
213.10236	5.7
213.18521	1.0
214.07324	1.0
215.08153	13.3
217.09711	1.5
218.68967	0.7
222.07884	2.2
223.08591	3.5
224.09319	0.9
225.06580	2.9
225.10190	21.8
225.18478	4.9
226.08607	1.5
227.08292	1.4
227.11757	1.4
229.05988	1.1
229.09708	2.1
231.11127	1.2
233.08049	3.3
235.08626	10.3
236.09302	1.6
237.06612	1.0
237.10179	4.8
238.07191	5.4
239.08109	10.4
240.08835	1.6
241.09708	4.9
243.07748	4.6
243.11292	4.3
243.19543	12.9
245.12744	3.6
251.08189	4.3
252.08940	2.7
253.09680	44.6
254.10191	1.5
255.07675	2.7
255.11279	2.9
257.09122	4.0
263.08231	2.4
265.09772	4.3
266.06839	1.3
267.07620	10.8
268.08401	1.1
269.09088	3.1
271.10751	8.7
272.11462	1.4
279.07507	2.3
280.08240	1.0
281.09164	74.6
282.09579	2.5
283.10715	9.0
285.08685	2.8
285.12256	0.8
289.11789	1.2
293.09052	1.1
295.07043	2.6
296.07751	0.9
297.08667	7.9
299.10168	11.3
309.08640	100.0
310.09015	3.7
311.10196	21.3
313.08142	2.0
313.11588	1.2
317.11246	1.7
318.12045	2.4
327.09698	42.4
328.09995	1.9
329.11206	1.2
337.08133	18.4
341.11176	2.0
345.10712	16.4
355.09198	90.0
356.09375	2.9
357.13538	0.9
359.12277	2.5
369.10608	2.1
373.10220	23.8
373.14825	1.3
387.11441	9.5
405.12402	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	405.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.5
55.01846	2.0
55.05492	1.0
57.02121	0.7
57.03427	8.1
59.04968	0.8
61.02924	4.9
66.24593	0.7
67.05483	1.2
68.99769	1.2
69.03417	16.3
70.75730	1.4
70.76124	1.7
71.01338	1.2
71.04966	2.8
72.08143	0.8
73.02898	2.8
74.02821	0.7
75.04462	1.0
76.02193	0.7
81.03402	10.4
83.04965	1.2
85.02893	57.5
85.06576	0.8
86.03210	0.9
86.09705	0.8
87.04445	2.2
91.03938	2.8
95.04916	0.8
97.02879	15.8
98.03678	0.9
98.20766	0.8
99.04459	4.4
101.14204	0.8
103.03911	2.8
106.13342	0.7
109.02869	17.1
111.00787	5.0
111.04421	1.6
115.03945	0.9
117.05479	2.0
119.08595	0.7
119.43297	0.7
120.16068	0.8
126.03110	10.1
127.03897	17.4
129.05417	0.9
141.05443	42.8
145.03831	1.1
145.04944	15.6
153.34727	0.7
154.02611	1.2
155.03409	0.9
159.06541	0.7
163.06003	2.4
169.04941	100.0
170.05408	1.2
183.06522	1.0
211.05986	2.2
218.05757	0.8
243.08511	0.9
273.41354	0.7
367.14908	0.7
405.13608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01859	2.5
55.05501	1.8
59.43716	1.2
60.02150	1.1
65.03928	9.2
67.05504	6.4
69.03403	4.9
69.07055	3.9
70.27844	1.1
71.04974	5.6
71.16103	2.5
71.16419	1.2
72.22101	1.1
73.46745	1.3
79.05494	10.4
81.03389	6.0
81.07043	5.4
82.04186	2.7
83.04915	2.0
85.02892	10.5
85.06509	1.8
86.09650	1.7
91.05475	4.4
93.03389	2.8
93.07025	3.0
94.04165	2.2
95.04965	5.8
95.08580	3.6
97.02883	2.0
97.06509	5.6
103.05429	2.2
105.07021	2.3
107.04935	14.0
107.08570	1.4
108.02082	2.3
109.02803	1.3
109.06484	1.9
109.10100	2.7
110.03632	2.3
111.04446	1.5
115.05434	7.2
117.06982	4.1
119.08585	1.2
122.03620	6.7
123.04373	2.8
124.05209	1.6
125.05975	4.7
125.09644	2.1
127.03900	2.1
128.06171	3.4
129.06978	8.4
131.04897	3.7
131.08572	1.9
137.05956	36.5
138.03075	4.3
141.36603	1.2
142.02576	3.1
143.04887	5.5
144.05692	2.4
145.06448	7.4
145.10089	1.4
147.04346	1.9
147.08037	2.8
151.03905	21.2
151.05029	3.0
152.04622	1.2
153.05438	3.3
154.47005	1.2
157.06453	8.8
159.08044	3.1
160.05190	3.4
161.05949	4.6
161.09589	2.8
166.02611	1.5
167.07021	42.6
171.04362	5.3
171.06477	4.5
172.05153	8.6
173.05881	3.4
174.06781	2.5
175.07489	7.6
177.05414	1.3
181.04930	100.0
182.05330	2.7
183.04376	2.1
187.07475	7.6
189.05421	3.2
189.09070	10.7
189.16348	1.6
191.06996	5.7
195.06422	3.5
200.04590	3.6
201.05513	1.3
203.06999	14.5
205.08543	4.9
206.05597	2.9
207.17383	1.2
218.05699	5.6
219.06400	1.7
221.08012	10.1
225.18564	6.3
233.08052	63.2
234.06566	1.9
234.08633	1.6
235.09610	3.1
245.08153	1.6
247.07526	2.1
249.09052	3.2
250.06189	1.5
251.09132	3.4
263.09024	8.4
265.08493	1.6
267.86890	1.4
276.07953	1.6
277.08621	3.2
293.08191	1.8
294.09216	1.3
301.07214	1.7
307.09482	2.0
309.11179	3.8
316.09552	1.8
325.10675	2.2
337.10602	5.4
338.11368	1.5
341.13693	2.3
351.12296	4.4
357.13330	10.9
369.13147	7.6
387.14349	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89926	1.7
53.03934	4.2
55.01860	4.2
55.05507	41.7
57.03443	1.8
59.32063	1.8
64.49307	1.8
65.03938	9.2
67.05494	5.6
69.03423	6.0
69.07047	3.9
69.50777	6.6
69.51200	10.3
70.06574	2.8
71.04977	4.2
73.02904	2.4
79.05473	13.8
81.03405	6.5
81.07053	7.6
82.04179	2.2
83.04967	2.3
83.08613	25.0
84.08129	2.0
84.08907	1.8
85.02901	11.3
85.06554	1.8
86.09700	3.2
91.05456	11.0
93.03386	2.3
93.07032	5.5
94.04173	3.3
95.04957	6.7
95.08596	3.4
97.02895	2.9
97.06534	4.5
99.04455	2.2
103.05463	4.4
105.07040	4.4
105.11617	1.8
107.04951	19.6
107.08583	4.4
108.02058	2.4
109.02881	2.3
109.06499	2.7
109.10159	2.2
110.03642	2.8
111.04436	3.9
111.08035	2.4
115.05437	8.2
117.07004	6.3
119.01867	3.0
119.04945	2.5
119.08565	3.8
121.06520	2.9
121.10143	3.8
122.03640	7.4
123.04415	4.1
123.08035	2.6
124.05237	3.6
125.05972	4.7
125.09662	2.5
127.03907	3.4
128.06210	3.9
129.07013	9.8
131.01958	2.6
131.04927	4.0
132.03462	1.8
133.06464	3.6
133.10124	2.2
135.04436	2.1
137.05966	67.2
137.07010	3.6
138.03087	2.3
143.01886	6.8
143.04910	5.6
144.05637	3.6
145.06477	11.2
147.04482	2.2
147.08041	4.0
151.03891	24.4
151.04967	2.2
151.07527	3.6
153.05467	2.4
155.01891	5.2
155.06007	2.2
157.06506	12.4
160.05209	2.4
161.02959	7.1
161.05946	8.8
163.03860	2.5
165.05432	2.3
167.07030	52.1
168.43173	1.9
171.04388	5.9
171.06540	5.6
172.05174	10.7
173.02957	5.8
173.05898	6.7
174.06699	2.9
175.07521	9.2
177.05504	3.5
179.07051	3.5
181.04936	100.0
185.02959	6.3
187.07484	6.0
189.05475	7.6
189.09123	7.7
190.06131	2.3
191.07028	6.2
193.10362	2.1
195.06573	2.4
197.07071	2.6
200.04616	5.0
201.05484	7.0
203.03986	5.7
203.06934	15.4
203.08618	4.0
204.02736	2.6
205.08531	7.2
206.05688	3.4
211.08783	4.2
215.06952	3.4
218.05664	10.2
219.08189	2.2
221.05020	5.9
221.08005	11.7
225.06522	4.1
225.18427	4.2
233.08069	75.6
233.76283	1.9
234.06535	3.2
234.08640	3.2
235.07486	2.3
235.09595	4.3
239.08171	7.2
243.07555	2.6
245.05046	9.6
245.07991	2.9
245.12862	6.8
247.07574	2.2
249.09166	3.3
251.09215	5.0
253.09619	7.2
255.06433	3.2
257.09097	2.9
258.05023	3.0
263.09137	7.7
265.08630	3.3
267.07693	2.5
269.07559	1.8
271.10800	2.5
277.08618	5.5
281.09219	5.4
285.11832	8.1
293.08170	3.5
299.10211	7.5
301.06924	14.6
303.12827	8.6
305.07297	3.2
309.08499	5.2
309.11600	2.9
311.10007	5.0
315.08524	2.9
316.09305	6.4
327.09631	12.5
329.11633	2.2
337.10934	3.1
341.13803	3.4
345.10391	16.8
345.14569	10.2
351.12204	4.3
355.09448	3.8
357.13318	8.3
369.13370	6.0
373.10275	22.2
375.14145	10.3
387.14423	51.8
388.14819	3.2
405.15421	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	405.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85587	1.1
53.03937	4.4
54.65401	1.3
55.01865	2.6
55.05500	15.9
56.78891	1.5
57.03156	2.5
57.03426	39.4
57.07058	2.5
65.03931	3.4
65.12714	1.3
67.05135	2.7
67.05495	52.8
68.82686	1.1
69.03421	4.5
69.07059	17.2
70.87946	1.4
70.88267	3.5
71.04984	3.2
79.05480	35.8
81.03405	6.9
81.07047	61.9
82.07363	1.6
83.04967	8.5
83.08595	9.8
85.02905	2.5
85.06532	4.3
86.12952	1.4
91.05463	29.2
93.07028	49.6
95.04955	10.8
95.08596	27.8
97.06517	29.2
97.10194	1.3
98.98451	82.9
99.08110	6.4
105.07015	27.1
107.04936	3.6
107.08573	26.7
109.06500	3.9
109.10122	13.2
111.04436	2.1
111.08080	4.7
111.11681	2.0
115.05412	2.0
116.99502	2.8
117.06996	13.9
119.08579	23.9
121.06496	4.3
121.10133	18.8
123.08059	3.6
123.11676	6.6
125.09673	1.9
128.06224	1.7
129.06931	2.6
131.08545	26.5
133.10109	21.7
135.04410	2.2
135.08035	4.7
135.11685	13.4
136.99973	44.0
137.05997	2.2
137.09636	2.5
139.07491	1.3
141.06990	2.6
142.07787	3.4
143.08563	10.0
143.09708	1.4
144.09314	1.7
145.02841	1.5
145.06467	2.0
145.10097	19.6
147.04387	2.0
147.08015	1.5
147.11684	12.5
149.09618	2.2
149.13235	22.6
151.11136	1.8
155.01018	100.0
155.08557	4.0
156.09325	3.5
157.10110	13.1
159.08002	2.0
159.11671	38.1
161.02393	4.0
161.09624	2.0
161.13266	3.2
163.03876	9.6
163.11130	2.1
163.14847	2.5
165.12656	1.6
167.08607	1.6
168.09335	1.5
169.10106	4.9
170.10873	2.1
171.11684	9.8
173.02325	8.1
173.13242	10.5
175.11195	1.3
175.14848	1.4
177.12727	46.1
177.16246	2.0
181.10060	2.2
183.11688	6.6
185.13240	19.0
187.14784	15.6
189.16382	6.9
193.02521	10.2
195.11679	3.6
195.13799	5.1
197.13223	7.5
199.14786	16.6
201.12714	1.6
201.16475	6.2
203.18057	1.7
203.64748	1.4
205.15898	2.0
207.11690	2.3
209.13362	1.4
211.03629	16.9
211.14803	4.3
213.16365	3.2
215.07034	9.6
215.14339	3.8
215.17897	2.4
223.14777	3.5
225.16347	3.5
227.17928	1.7
229.04704	4.6
231.17400	1.6
233.15369	3.6
235.14845	1.9
237.16376	2.7
239.17896	4.0
240.93533	1.3
241.19548	2.3
251.16371	44.3
253.15982	1.6
253.19557	4.6
253.72264	1.3
259.09659	19.8
265.19495	3.7
267.21167	1.8
269.17386	16.3
277.10815	1.5
277.19241	1.7
283.20609	3.6
295.20636	2.5
333.25714	4.5
345.13269	1.5
349.24899	1.5
387.15512	3.5
387.30475	3.0
405.16696	31.4
405.31494	35.2
406.16867	1.8
409.78427	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85587	1.1
53.03937	4.4
54.65401	1.3
55.01865	2.6
55.05500	15.9
56.78891	1.5
57.03156	2.5
57.03426	39.4
57.07058	2.5
65.03931	3.4
65.12714	1.3
67.05135	2.7
67.05495	52.8
68.82686	1.1
69.03421	4.5
69.07059	17.2
70.87946	1.4
70.88267	3.5
71.04984	3.2
79.05480	35.8
81.03405	6.9
81.07047	61.9
82.07363	1.6
83.04967	8.5
83.08595	9.8
85.02905	2.5
85.06532	4.3
86.12952	1.4
91.05463	29.2
93.07028	49.6
95.04955	10.8
95.08596	27.8
97.06517	29.2
97.10194	1.3
98.98451	82.9
99.08110	6.4
105.07015	27.1
107.04936	3.6
107.08573	26.7
109.06500	3.9
109.10122	13.2
111.04436	2.1
111.08080	4.7
111.11681	2.0
115.05412	2.0
116.99502	2.8
117.06996	13.9
119.08579	23.9
121.06496	4.3
121.10133	18.8
123.08059	3.6
123.11676	6.6
125.09673	1.9
128.06224	1.7
129.06931	2.6
131.08545	26.5
133.10109	21.7
135.04410	2.2
135.08035	4.7
135.11685	13.4
136.99973	44.0
137.05997	2.2
137.09636	2.5
139.07491	1.3
141.06990	2.6
142.07787	3.4
143.08563	10.0
143.09708	1.4
144.09314	1.7
145.02841	1.5
145.06467	2.0
145.10097	19.6
147.04387	2.0
147.08015	1.5
147.11684	12.5
149.09618	2.2
149.13235	22.6
151.11136	1.8
155.01018	100.0
155.08557	4.0
156.09325	3.5
157.10110	13.1
159.08002	2.0
159.11671	38.1
161.02393	4.0
161.09624	2.0
161.13266	3.2
163.03876	9.6
163.11130	2.1
163.14847	2.5
165.12656	1.6
167.08607	1.6
168.09335	1.5
169.10106	4.9
170.10873	2.1
171.11684	9.8
173.02325	8.1
173.13242	10.5
175.11195	1.3
175.14848	1.4
177.12727	46.1
177.16246	2.0
181.10060	2.2
183.11688	6.6
185.13240	19.0
187.14784	15.6
189.16382	6.9
193.02521	10.2
195.11679	3.6
195.13799	5.1
197.13223	7.5
199.14786	16.6
201.12714	1.6
201.16475	6.2
203.18057	1.7
203.64748	1.4
205.15898	2.0
207.11690	2.3
209.13362	1.4
211.03629	16.9
211.14803	4.3
213.16365	3.2
215.07034	9.6
215.14339	3.8
215.17897	2.4
223.14777	3.5
225.16347	3.5
227.17928	1.7
229.04704	4.6
231.17400	1.6
233.15369	3.6
235.14845	1.9
237.16376	2.7
239.17896	4.0
240.93533	1.3
241.19548	2.3
251.16371	44.3
253.15982	1.6
253.19557	4.6
253.72264	1.3
259.09659	19.8
265.19495	3.7
267.21167	1.8
269.17386	16.3
277.10815	1.5
277.19241	1.7
283.20609	3.6
295.20636	2.5
333.25714	4.5
345.13269	1.5
349.24899	1.5
387.15512	3.5
387.30475	3.0
405.16696	31.4
405.31494	35.2
406.16867	1.8
409.78427	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.6
55.05503	10.1
57.03432	5.2
57.03693	0.9
57.07067	3.9
60.62031	0.5
65.84216	0.6
67.05492	5.9
69.07056	11.3
69.50073	4.7
69.50488	1.0
71.08614	2.9
79.05490	3.3
81.07046	5.9
81.28371	0.6
83.08609	10.0
85.31880	0.5
85.77477	0.7
93.07024	5.0
95.08583	3.6
97.06509	1.8
97.10148	7.5
98.21458	1.1
107.08582	2.1
109.10123	2.2
111.11691	1.7
113.00001	95.6
121.10113	5.0
123.11674	0.8
129.01820	0.8
131.01038	0.9
135.11665	2.7
137.13208	1.3
149.13231	1.9
169.02592	100.0
170.02924	0.8
219.20998	1.7
237.22064	6.8
344.48740	0.8
405.24170	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2479
Annotation	Celerioside E
Peak:m/z	Relative Intensity
53.03936	2.9
55.01867	9.3
55.05490	3.8
57.03431	5.5
61.02901	4.7
65.03921	2.2
67.05495	24.4
69.03412	13.7
69.06687	1.7
69.07055	26.5
70.06578	2.1
71.04610	1.8
71.04980	28.4
71.63497	0.9
73.02901	2.1
73.06547	2.3
79.05487	12.3
79.85400	0.9
81.03418	6.7
81.07043	19.5
83.04960	3.0
83.08610	1.8
85.02892	37.7
85.06538	12.4
87.04457	2.6
91.03919	1.2
91.05468	9.2
93.07035	14.0
95.04948	2.0
95.08595	22.7
97.02879	12.2
97.06525	12.0
98.21507	1.8
98.98442	4.0
99.04432	3.0
99.08070	4.4
103.05385	1.2
105.07047	6.1
105.97482	1.0
107.04922	3.7
107.08571	10.9
109.02872	4.4
109.06494	2.5
109.10139	13.4
111.04404	1.4
111.08073	13.0
115.07577	2.7
117.07002	2.8
119.08579	8.8
121.06468	1.7
121.10120	11.4
123.04369	1.3
123.08064	1.6
123.11727	1.2
125.09617	15.7
127.03891	8.3
129.05475	1.2
131.08539	2.8
133.10133	5.5
135.07996	1.5
135.11681	3.4
136.99947	2.2
137.05940	3.9
137.09570	1.9
139.11232	1.2
141.06932	1.3
145.04926	4.6
145.06433	1.2
145.10129	2.3
147.11639	4.1
151.03873	6.5
153.09088	1.4
155.01004	4.6
157.09947	1.1
159.11685	3.0
161.06013	1.5
161.13306	1.5
163.03911	1.4
163.07516	1.3
163.11221	1.3
167.07014	8.0
167.10657	1.7
173.11746	1.4
175.07500	4.4
177.12737	2.4
178.13020	1.2
181.04926	7.0
182.05428	1.3
187.14807	1.6
189.16370	5.8
203.07014	1.3
207.17421	4.0
215.06938	1.2
225.18459	100.0
226.18808	3.2
233.08028	3.1
239.41861	1.0
243.19559	4.2
251.16409	1.5
261.11151	2.1
305.17514	1.0
387.14609	2.1
405.17258	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	405.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47947	1.3
53.03936	3.9
55.01857	2.5
55.05499	13.5
57.03420	1.4
57.07056	3.5
64.29999	1.1
65.03947	2.9
66.26768	1.1
67.05489	27.2
69.03421	5.9
69.07051	14.2
70.06572	1.5
71.04981	2.7
71.70220	1.2
77.03907	1.3
79.05480	24.8
81.03403	5.1
81.07040	40.4
83.04969	10.0
83.08619	7.0
85.02908	1.3
85.06541	3.7
91.05463	29.6
91.06028	1.9
93.07027	43.3
94.07349	1.5
95.04953	17.6
95.08589	73.6
96.08922	2.8
97.02886	1.9
97.06532	5.5
97.10167	3.6
98.98472	2.2
99.04410	2.7
99.08045	2.3
103.05453	3.2
105.07014	60.3
106.07360	2.3
107.04949	3.2
107.08572	43.7
108.08910	1.6
109.02866	6.5
109.06485	7.6
109.10140	25.6
111.04452	2.1
111.08060	5.1
115.03961	1.5
115.05462	2.9
116.06238	1.6
117.06992	13.3
119.04899	1.6
119.08560	83.5
120.08899	2.2
121.06519	4.5
121.10120	27.7
123.04388	1.5
123.08067	7.3
123.11689	7.8
125.06044	1.6
125.09622	5.7
127.03886	3.3
128.06136	6.5
129.06976	11.9
130.07765	5.9
131.04872	1.7
131.08540	62.9
132.08878	2.0
133.06474	2.4
133.10109	33.8
135.08060	6.5
135.11656	15.6
137.05989	5.8
137.09596	3.8
137.13200	1.8
141.06985	2.3
142.07761	7.8
143.01933	1.8
143.08540	28.2
144.09282	5.1
145.06520	2.7
145.10095	98.6
146.10434	2.4
147.04420	3.4
147.08031	3.1
147.11662	39.1
148.12036	1.4
149.09599	5.0
149.13234	9.9
151.03835	1.3
151.11150	2.5
155.01067	2.0
155.08533	7.5
156.09322	9.1
157.10104	31.8
158.10938	6.5
159.08093	2.7
159.11667	58.8
160.12032	2.5
161.02942	2.0
161.05952	1.7
161.09651	5.4
161.13239	21.8
163.07520	1.5
163.11137	6.3
163.14774	8.1
167.07043	11.8
167.08618	3.6
168.09352	1.8
169.06476	2.0
169.10115	13.2
170.10825	6.4
171.11661	36.2
171.13046	2.7
172.12338	4.1
173.05937	1.6
173.13232	50.2
174.13504	2.2
175.11226	4.6
175.14783	11.6
177.12767	5.3
177.16351	5.1
181.04993	4.6
181.10114	4.7
182.10872	2.1
183.11653	17.1
184.12473	3.0
185.13216	35.4
187.07538	1.6
187.11211	3.5
187.14790	73.0
188.15230	1.8
189.12787	3.2
189.16348	9.8
191.14311	1.9
193.10155	3.0
195.11722	6.6
197.13274	11.0
198.13995	1.7
199.14796	28.7
200.15294	1.5
201.16350	79.8
203.03894	2.1
203.14297	15.4
203.17931	4.8
205.15768	10.4
207.11671	2.9
209.13272	8.0
210.13792	1.3
211.14764	12.5
213.12874	1.6
213.16341	19.7
215.14342	2.6
215.17976	5.4
217.15924	4.7
219.11707	1.8
219.17513	1.6
221.13283	3.0
223.14854	5.7
225.16296	8.0
227.17857	6.0
229.15918	1.9
229.19501	3.5
231.17453	5.6
233.08246	1.6
235.14792	3.5
237.16339	6.9
239.17842	6.9
241.15877	1.7
241.19569	4.9
243.17630	1.7
249.16528	2.2
250.17059	1.7
251.17946	5.0
253.19623	6.3
255.21013	2.3
259.09692	2.7
263.17889	2.5
265.19528	4.8
267.21014	2.9
277.19531	2.6
279.21030	2.2
281.22656	1.7
283.20526	1.9
291.21072	3.6
303.20953	2.1
317.22617	1.7
331.24475	2.6
335.23621	3.3
347.27298	4.7
349.25143	1.8
369.24304	2.8
387.14499	1.7
387.25696	2.7
387.30258	12.0
405.27213	5.6
405.31509	100.0
406.31860	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	405.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.05498	6.5
56.96542	1.4
57.07061	1.2
64.26953	0.9
65.03922	0.8
67.05493	12.2
69.03407	2.1
69.07059	9.5
69.68712	2.0
69.69126	3.4
71.04978	1.0
71.08620	0.9
74.55280	0.7
79.05482	9.4
81.07041	25.1
83.04965	1.7
83.08582	5.1
85.06542	1.1
91.05470	13.1
93.07034	23.0
94.07355	0.8
95.04945	4.5
95.08593	36.7
96.08902	0.8
97.06506	3.4
97.10144	2.6
98.20666	1.0
99.08063	2.7
101.20443	0.7
103.05395	1.2
105.07011	32.0
106.07284	0.9
107.08578	31.9
109.06495	3.0
109.10135	18.5
111.08086	2.1
111.11697	1.2
115.05380	1.0
117.06966	5.7
119.08567	37.9
121.06501	1.7
121.10125	19.7
123.08060	3.1
123.11710	6.1
125.09606	4.4
128.06175	2.5
129.06960	5.8
130.07736	2.4
131.08553	30.6
133.06357	0.9
133.10103	21.3
135.08043	2.0
135.10719	1.3
135.11664	9.6
137.09547	2.2
137.13226	1.4
141.06955	2.0
142.07750	5.0
143.08542	17.0
144.09283	1.9
145.10103	43.7
146.10475	2.0
147.08031	1.0
147.11655	13.5
149.09583	1.7
149.13211	10.1
151.11116	1.7
155.08516	7.9
156.09320	5.4
157.10104	22.0
158.10858	2.7
159.08017	4.2
159.11670	26.3
161.09634	1.0
161.13245	9.0
163.03877	2.4
163.11220	1.2
163.14771	7.7
167.08563	1.7
168.09338	2.0
169.10143	8.3
170.10876	5.4
171.11665	21.6
171.13058	1.5
172.12218	1.3
173.09578	3.2
173.13240	23.1
175.11317	1.4
175.14801	11.7
177.12778	1.3
177.16386	7.0
179.08540	1.1
181.10109	3.3
182.10858	2.9
183.11684	12.5
184.12387	2.1
185.13234	35.2
187.11176	1.5
187.14795	48.0
188.15147	1.7
189.12697	1.5
189.16339	6.5
191.14317	1.4
191.17734	1.3
193.10107	1.3
193.15846	2.3
194.10818	0.9
195.11659	4.9
196.12447	2.4
197.13222	11.0
198.13858	1.4
199.14798	19.3
201.12717	7.8
201.16370	24.3
203.14278	2.3
203.17935	4.9
205.15854	3.3
207.11676	2.6
208.12515	1.2
209.13289	5.1
211.14804	6.7
212.15430	0.9
213.13008	0.9
213.16368	12.3
214.16528	1.0
215.14354	2.7
215.17882	5.1
217.15817	3.1
218.67697	0.8
219.11583	1.2
221.13237	2.6
223.14789	5.0
225.16328	7.0
227.14409	1.3
227.17912	5.6
229.15857	3.2
229.19560	1.8
231.17433	5.1
235.14854	2.6
237.16321	5.5
238.17036	1.5
239.17894	8.0
240.18509	0.9
241.19498	3.5
243.17615	1.3
243.21103	0.8
249.16426	2.3
251.17926	6.6
253.19511	3.5
257.19000	1.0
259.09625	3.9
261.16440	1.0
263.09738	1.1
263.17978	2.1
265.19455	3.8
267.17416	1.2
267.21045	3.2
275.17899	1.2
276.18799	1.1
277.19479	3.1
279.21078	3.5
281.10538	5.5
281.22672	3.0
291.20920	2.8
293.22562	1.8
295.20547	1.0
295.23859	1.4
299.11530	4.1
303.21066	1.4
305.22382	1.3
309.22141	2.5
317.22595	1.9
319.24030	2.3
321.22125	0.9
331.24194	2.7
333.25763	1.3
335.23572	2.9
345.25815	1.4
347.27301	3.0
349.25333	3.8
363.26758	2.2
377.28012	1.3
377.32104	2.4
387.30429	14.2
388.30872	1.6
405.31464	100.0
406.31516	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	405.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01862	0.8
55.05502	7.5
57.03422	0.7
57.07059	1.4
63.15838	0.5
65.03922	1.3
67.05134	0.9
67.05491	14.6
69.03412	1.7
69.07059	9.5
69.75835	3.2
71.04975	0.9
75.50329	0.5
77.03834	0.6
79.05481	11.3
81.03398	0.8
81.07040	24.7
83.04952	0.9
83.08608	3.1
85.06521	1.9
91.05466	13.5
92.05746	0.5
93.07030	23.4
95.04939	4.7
95.08589	38.5
96.08938	0.9
97.06505	2.3
97.10139	2.0
99.08073	5.3
103.05469	1.0
105.07014	32.2
107.04925	0.6
107.08575	30.8
109.06493	3.9
109.10140	19.1
111.08054	1.9
113.09622	0.6
115.05447	1.5
116.06178	0.8
117.06996	6.2
119.08559	47.2
120.08830	0.7
121.06477	1.3
121.09242	1.1
121.10120	18.9
123.08074	2.7
123.11700	6.7
125.09610	3.8
128.06172	3.1
129.06976	6.0
130.07765	1.9
131.08542	29.6
133.06444	0.7
133.10106	23.9
134.51917	0.6
135.08031	2.4
135.11670	9.0
137.09579	2.2
137.13158	0.9
141.06978	1.8
141.96875	0.5
142.07758	5.7
143.08542	19.1
144.09317	3.4
145.10101	44.1
146.10535	0.5
147.07991	1.2
147.11653	16.3
149.09619	1.9
149.13216	8.6
151.11143	1.7
153.06990	0.9
154.07751	0.8
155.08513	7.0
156.09308	6.3
157.10098	22.9
158.10924	4.5
159.08127	2.5
159.11670	30.8
161.09592	2.2
161.13225	11.0
163.11125	1.8
163.14819	5.6
165.07002	1.0
165.12691	0.7
167.07133	1.0
167.08589	1.7
168.09285	2.0
169.10092	11.5
170.10880	4.2
171.11659	22.7
172.12352	1.7
173.09610	2.0
173.13234	25.7
175.11185	1.2
175.14806	12.6
177.12741	1.2
177.16382	5.4
179.08543	1.3
181.04854	0.6
181.10071	4.1
182.10820	3.3
183.11667	16.0
184.12422	2.1
185.13226	26.4
186.13641	1.1
187.14789	49.0
188.15147	0.8
189.12689	1.0
189.16356	8.4
191.14296	1.6
193.10152	1.8
194.10855	1.0
195.11671	5.8
196.12442	2.4
197.13217	13.8
197.14920	1.0
198.13942	1.0
199.14799	21.1
200.14978	0.6
201.12718	3.3
201.16338	19.4
201.18147	1.0
203.14183	3.1
203.17944	3.5
205.15865	4.6
206.10780	0.8
207.11684	2.7
208.12459	1.6
209.13257	6.5
210.13968	1.1
211.14760	12.3
212.15529	1.7
213.12796	0.9
213.16356	16.0
215.14336	2.5
215.17905	3.9
217.15849	2.5
219.11723	0.9
219.17429	0.7
220.12292	0.7
221.13232	3.3
222.13863	0.9
223.14813	6.7
224.15388	0.7
225.16339	7.1
226.17033	0.6
227.17900	6.0
229.15877	2.2
229.19418	1.2
231.17393	3.5
233.13210	1.5
233.19160	0.7
234.13979	0.6
235.14740	2.9
236.15349	0.8
237.16359	5.2
239.17905	7.8
241.15915	0.9
241.19460	4.7
243.17430	1.1
247.14789	1.6
248.15291	0.7
249.16353	2.6
251.17981	5.4
253.19493	4.8
254.20071	1.1
255.06456	1.0
255.17303	0.8
255.21091	1.7
257.19101	1.3
261.16251	1.2
263.17987	2.9
264.18710	0.8
265.19485	4.6
267.21106	3.2
270.05206	2.1
275.17789	1.3
276.18436	0.6
277.19553	3.3
279.21118	3.2
281.22592	1.9
283.20499	1.4
287.05502	1.5
289.19608	1.0
291.20905	2.8
293.22601	1.5
303.20969	1.5
305.22586	1.9
307.24170	1.5
309.22089	2.0
311.23532	1.2
315.04947	11.3
316.05420	2.4
317.22659	3.3
319.24210	0.8
321.25687	0.7
331.04370	1.0
331.08063	13.4
331.24237	1.5
332.08386	1.4
333.25681	4.3
335.23587	3.6
345.25681	0.7
347.27060	3.1
348.27850	0.7
349.25134	1.6
363.26617	0.9
377.32028	1.8
387.25729	1.1
387.30417	13.2
388.30701	0.7
405.11771	12.8
405.31448	100.0
406.12057	1.8
406.31744	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	405.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	8.0
57.03423	0.8
57.07049	2.4
65.03914	1.2
67.05493	13.8
69.03405	2.0
69.07053	8.6
79.05483	10.2
81.07041	27.9
81.30374	0.8
83.04967	1.4
83.08605	3.7
85.06541	0.9
91.05463	14.4
93.06426	1.1
93.07029	25.4
95.04959	5.1
95.08590	39.7
96.08889	0.7
97.06488	1.0
97.10152	1.5
99.08087	6.0
102.39179	0.8
105.07011	34.0
107.04926	1.2
107.08575	33.3
109.06517	4.0
109.10140	19.6
111.08028	1.4
115.05447	1.4
116.06188	0.8
117.06998	6.3
119.08562	55.3
120.08900	1.2
121.06496	1.0
121.10122	19.1
123.08062	3.6
123.11673	6.9
125.09593	3.1
128.06198	2.5
129.06967	6.1
130.07741	1.9
131.08549	30.9
133.10114	24.7
135.08035	2.9
135.11685	10.3
137.09587	1.6
137.13205	1.7
141.07001	1.6
142.07758	5.6
143.08537	18.7
144.09352	3.8
145.06436	1.0
145.10098	43.6
146.10509	1.3
147.07983	1.1
147.11655	19.4
149.09610	1.7
149.13234	7.6
151.11165	2.9
154.07742	0.9
155.08513	7.2
156.09332	5.2
157.10101	26.4
158.10910	5.0
159.08105	1.8
159.11668	27.6
161.09566	2.0
161.13223	12.3
163.11227	1.2
163.14815	4.8
165.07042	1.0
167.08556	2.6
168.09341	2.3
169.10120	13.6
170.10852	4.4
171.11658	26.2
172.12384	1.7
173.09648	1.8
173.13235	31.0
175.11130	1.5
175.14813	12.6
177.12744	1.8
177.16356	4.3
179.08557	1.1
180.09383	1.1
181.10068	4.8
182.10896	2.9
183.11673	15.7
184.12335	2.2
185.13229	30.4
186.13629	0.9
187.14792	47.7
188.15096	1.2
189.12712	1.0
189.16328	7.0
191.14355	1.3
191.17900	1.1
192.09239	1.0
193.10127	2.4
193.15791	0.8
194.10852	1.0
195.11655	6.1
196.12450	2.1
197.13235	14.3
198.13953	1.6
199.14786	23.3
200.15161	1.8
201.12691	3.0
201.16351	19.9
202.16829	0.9
203.14297	2.8
203.17940	2.4
205.10019	1.0
205.15857	3.3
206.10852	0.8
207.11676	2.4
208.12509	1.2
209.13220	7.3
211.14771	12.8
212.15428	1.2
213.16351	16.5
213.18251	1.2
215.14322	2.1
215.17958	4.0
217.15839	2.4
217.19478	0.9
219.17358	0.9
221.13234	3.0
222.13925	0.9
223.14824	6.2
224.15427	1.2
225.16362	8.7
227.14316	0.9
227.17896	6.6
229.15849	2.3
229.19398	1.0
231.17426	3.3
233.13278	1.6
235.14729	4.6
236.15642	1.0
237.16405	6.0
238.16898	0.8
239.17900	10.0
241.19531	3.5
243.17407	1.3
247.14839	1.1
249.16493	3.6
251.17909	7.0
253.19370	5.0
254.20241	1.0
255.21172	1.7
261.16379	1.8
263.17947	3.3
265.19501	4.7
266.19888	0.9
267.21130	3.5
269.22549	1.0
270.05173	2.3
275.17896	1.5
277.19476	3.2
279.21072	4.0
281.22525	2.1
283.20435	1.7
287.05490	0.9
289.19260	1.5
291.20935	3.9
293.22580	2.1
295.24185	0.9
297.22217	1.1
303.21002	1.3
305.22702	1.3
307.24164	1.5
309.22046	2.1
311.23645	1.7
315.04916	5.9
316.05521	1.6
317.22675	3.5
319.24112	1.4
331.08069	9.2
331.24103	1.4
333.25818	6.0
335.23587	3.1
345.25751	1.7
347.27277	2.9
349.25165	2.8
363.26880	1.8
377.32092	1.5
387.30341	13.8
405.11688	8.8
405.31454	100.0
406.12177	1.7
406.31705	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	405.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.9
55.05502	8.4
57.07047	2.3
65.03921	1.3
67.05492	12.9
69.03410	1.9
69.07052	8.3
69.67258	0.8
69.67558	6.6
79.05484	10.7
81.07046	28.3
83.04967	1.4
83.08595	3.9
85.06515	1.5
85.44607	0.8
89.14191	0.7
91.05471	13.6
93.07033	22.1
95.04972	5.2
95.08592	43.5
97.06512	3.6
97.10143	2.3
99.08080	5.4
105.07019	33.2
107.08579	35.3
109.06504	3.8
109.10141	21.4
111.08060	2.1
115.05441	1.2
117.06995	6.4
119.08566	46.3
121.06479	1.3
121.10127	20.1
123.08049	2.8
123.11687	7.1
123.39548	0.8
125.09617	5.5
128.06227	2.5
129.07002	5.7
130.07712	1.6
131.08549	25.8
133.10115	23.5
135.08028	2.1
135.11687	9.8
135.79919	0.8
137.09581	1.8
137.13243	0.9
141.06992	2.7
142.07755	5.6
143.08540	17.1
144.09303	3.4
145.10106	42.9
146.10533	0.9
147.08072	1.7
147.11665	16.0
149.09610	1.9
149.13229	6.1
151.11154	1.9
153.07019	0.9
155.08565	8.7
156.09344	8.1
157.10100	22.8
158.10918	3.7
159.08109	1.1
159.11668	27.7
160.12177	0.9
161.09590	2.1
161.13225	9.6
163.03865	2.0
163.11192	1.8
163.14787	5.5
165.06871	0.8
167.08542	1.6
168.09331	2.4
169.10107	10.5
170.10892	5.4
171.11670	28.2
172.12430	1.4
173.02350	1.6
173.09631	1.0
173.13243	26.7
175.11156	1.4
175.14798	10.8
177.12724	1.4
177.16356	4.8
179.08633	1.1
181.10089	4.9
182.10884	3.1
183.11667	16.3
184.12350	2.2
185.13235	22.5
186.13922	0.9
187.14798	39.1
188.15186	1.3
189.16350	6.7
191.14165	1.3
193.10123	2.3
193.15811	1.3
194.10849	0.8
195.11656	5.6
196.12431	2.6
197.13257	13.6
198.13924	2.2
199.14798	20.5
201.12636	2.8
201.16357	18.4
203.14247	1.9
203.17917	2.2
205.15903	2.3
206.10840	1.1
207.11676	2.3
208.12563	1.5
209.13190	6.2
210.13992	2.2
211.14812	11.4
212.15488	1.4
213.16336	14.2
215.07045	1.7
215.14240	0.9
215.17950	4.2
217.15843	2.3
219.11665	2.1
219.17241	1.0
220.12685	0.9
221.13246	3.5
222.13924	1.0
223.14778	4.4
225.16348	9.1
227.17969	6.4
229.15881	1.9
229.19553	2.0
231.17387	3.6
233.13199	1.2
235.14754	2.0
237.16336	4.9
239.17912	8.0
241.19499	3.2
247.14822	1.2
249.16389	1.9
251.17940	5.7
253.19435	5.5
254.20139	1.8
255.17271	0.8
255.21140	2.5
257.19104	1.2
259.09647	3.2
263.18021	2.2
265.19537	5.4
267.20950	3.9
277.19547	2.5
279.21024	3.3
281.22556	2.5
283.20590	1.9
289.19492	1.3
291.21057	1.8
293.22546	2.2
297.22144	1.0
301.19540	0.8
307.24191	1.0
309.22253	1.9
311.23636	2.2
315.30344	0.9
317.22626	2.2
333.25662	3.1
335.23660	3.7
347.27335	2.4
349.24966	2.0
359.26535	0.9
363.26907	1.8
377.31924	2.4
387.30435	11.7
405.31476	100.0
406.31534	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	406.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.5
54.07428	0.2
55.01843	0.6
55.05493	0.3
57.03432	1.3
63.76699	0.2
65.03928	0.3
67.05496	1.1
69.03422	3.5
69.07055	0.2
70.06586	0.2
71.04989	0.4
71.70405	0.2
71.70786	0.3
73.02893	0.6
79.05489	1.1
81.03406	1.3
81.07041	1.2
82.07373	0.3
83.08615	0.3
85.02895	5.1
85.06520	0.2
87.04444	0.5
91.03941	0.3
91.05472	1.0
92.83830	0.2
93.07011	0.9
94.07375	0.3
95.04942	0.6
95.08575	0.7
97.02881	1.9
97.06495	0.3
98.98453	0.5
99.04440	0.6
99.08064	0.2
103.05463	0.2
105.07013	0.6
106.06536	0.4
106.07309	0.3
107.04929	0.3
107.07341	0.2
107.08562	0.8
108.04444	0.3
109.02868	1.3
109.06506	0.4
109.10161	0.3
115.05427	0.4
117.06985	0.2
119.08596	0.9
120.08067	0.2
120.08908	0.3
121.06506	0.3
121.10138	0.5
123.04398	0.7
123.07980	0.2
123.11626	0.2
125.09611	0.2
127.03893	1.1
128.06203	0.6
129.06984	0.7
131.04907	0.2
131.08542	0.6
132.08853	0.3
132.61801	0.2
133.06384	0.2
133.10103	0.8
134.06053	0.4
135.08018	0.3
135.11566	0.2
136.07562	0.4
138.06335	0.2
141.06868	0.2
143.08557	1.1
144.08005	0.2
144.09036	0.2
145.04922	0.5
145.06404	0.2
145.09050	0.2
145.10075	1.0
146.10413	0.5
147.04381	0.4
147.11652	0.3
149.13319	0.2
151.03975	0.2
153.06967	1.6
154.06433	0.3
154.07654	0.3
155.01007	0.4
155.07239	0.5
155.08527	1.7
156.07866	0.2
157.10077	0.5
158.05960	0.2
159.11679	0.6
160.11003	0.3
160.12160	0.3
161.05928	0.8
161.13268	0.2
165.06998	0.4
167.07068	0.4
168.05653	0.4
170.09610	1.8
170.10806	0.2
171.08009	0.7
171.11708	0.2
172.07582	0.3
173.05745	0.2
173.13223	0.6
176.07037	1.4
178.04913	0.4
180.08023	0.6
181.06387	1.0
182.05251	0.2
183.06686	1.0
183.08104	0.6
184.05193	0.3
184.07492	0.3
185.13173	0.5
186.06781	0.2
187.07579	0.5
187.14806	0.9
188.06920	0.3
188.10692	0.5
188.15079	0.4
197.08319	0.4
198.09116	4.2
199.07617	1.2
199.14734	0.3
200.07104	0.3
200.15150	0.3
201.07643	1.0
201.16292	0.3
202.08601	0.6
202.16768	0.4
209.05893	0.2
211.06194	0.5
212.06973	0.2
214.04980	1.1
214.08578	0.2
216.10170	2.2
226.08614	2.3
227.07011	0.3
227.43788	0.2
228.06544	0.7
229.07283	0.8
237.16368	0.2
243.08878	0.5
244.09662	100.0
245.10013	3.9
274.14441	0.2
286.10754	0.6
292.15445	0.3
388.30786	0.6
406.14444	2.5
406.26584	0.5
406.31750	1.3
407.15051	0.3
424.19427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01854	2.4
55.05498	2.2
56.05025	7.6
57.03421	5.0
58.99578	10.3
67.05492	1.0
68.05022	1.2
70.06594	1.1
71.01482	1.2
71.01810	1.2
72.08141	0.7
73.01129	1.6
74.00657	2.1
76.02218	18.0
76.03992	1.9
79.05492	4.0
80.05025	1.2
81.07046	17.1
83.06109	1.6
84.03992	1.4
84.04492	23.3
84.08096	0.8
85.01128	3.8
85.02912	1.2
86.00626	3.6
86.06063	0.7
86.99049	6.1
87.02675	5.3
88.02200	1.8
94.06590	0.8
95.04934	1.2
95.08572	3.3
96.08102	0.7
97.01078	1.0
97.06520	1.4
98.09686	11.5
99.05534	1.1
99.08075	5.5
102.05524	4.2
102.87402	0.7
105.07020	1.3
107.08561	0.8
110.09668	2.5
112.03950	3.7
113.04233	6.0
114.03706	0.9
115.05753	1.8
116.01662	18.9
122.09634	1.3
123.08034	1.6
127.05750	1.3
129.06593	2.7
130.05000	6.5
130.06880	3.8
130.08615	1.2
131.08574	0.8
134.53561	0.7
139.05750	1.9
139.18373	0.7
142.03242	1.7
143.02702	1.3
144.01137	7.3
145.06004	1.2
146.02664	0.7
156.07472	0.6
156.08412	21.0
156.10170	12.7
157.06804	9.4
162.02182	21.7
170.02676	1.0
174.09485	13.9
179.04837	10.4
187.05244	0.9
189.03203	1.2
204.39647	0.7
209.11789	0.8
210.11252	2.7
215.04816	0.9
216.06866	6.7
226.14331	1.7
233.05910	2.5
242.08372	1.4
246.78864	0.7
259.11090	100.0
260.09079	0.8
260.11572	3.5
277.12189	1.1
285.12741	0.8
313.12103	4.2
323.04062	0.7
331.13135	6.7
406.07825	0.8
406.16275	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	406.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	5.1
60.04517	28.4
64.75384	3.3
65.12526	3.2
67.05504	3.4
69.03413	14.2
70.06582	3.3
71.39352	7.6
74.06066	33.9
79.05491	14.7
81.03416	15.0
81.07036	15.7
82.06561	4.4
83.04925	5.4
84.04475	8.7
85.02894	32.7
91.05468	9.0
93.07020	9.3
94.06548	8.6
95.04944	19.3
96.04473	5.0
96.08109	10.0
97.02869	11.8
97.06501	3.2
106.06551	4.1
107.04906	5.8
107.08624	3.9
108.08106	12.0
108.58009	3.2
109.02897	6.8
109.06501	21.6
110.06030	6.7
111.04400	2.9
112.07552	3.4
117.07000	6.7
119.04945	7.2
120.08090	9.9
121.06474	12.6
122.06028	4.8
123.04412	12.8
124.07574	35.6
127.03869	5.2
134.06010	3.2
134.09644	22.4
135.08032	6.0
136.07571	16.9
137.05974	33.5
138.09085	11.9
142.31113	2.8
144.08040	6.6
147.06798	6.6
148.07556	34.6
149.05954	22.3
152.07005	14.5
152.10687	4.1
153.05444	7.0
153.07777	3.4
162.09128	33.4
162.52231	3.5
163.06137	3.1
163.07513	8.1
164.07060	5.2
165.05476	34.6
166.08577	7.6
167.06998	11.0
180.10202	32.4
182.08116	7.0
183.06512	20.6
190.08604	18.5
191.07011	11.4
192.62048	3.6
198.11229	12.9
201.07538	4.8
206.10117	4.5
208.09660	65.6
209.07915	3.6
210.11191	3.2
226.10707	100.0
244.11775	31.7
277.52188	3.2
283.33032	3.2
328.41446	2.8
405.69400	3.1
406.17050	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	406.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63250	1.7
53.03933	3.0
55.01859	2.2
56.05008	3.3
57.03422	3.6
60.04521	15.7
67.05475	3.4
69.03408	11.4
71.50230	3.8
73.02932	2.2
74.06072	28.8
79.05463	8.1
81.03417	11.9
81.07052	12.3
82.06561	2.9
84.04481	9.3
85.02892	19.4
86.06046	2.0
87.14653	2.1
91.05470	10.0
93.07018	8.7
94.06544	4.9
95.04942	11.5
96.08096	7.1
96.12859	1.9
97.02902	11.7
97.06518	2.9
99.04411	2.8
105.07031	2.2
106.06532	3.4
107.04888	4.4
107.07314	3.8
107.08577	4.0
108.08079	6.8
109.02864	4.9
109.06506	19.1
110.03662	3.3
110.09631	3.5
111.04380	2.5
117.06991	4.7
118.06554	3.7
119.04931	4.8
120.08068	8.9
121.06467	11.6
122.05978	6.8
123.04407	14.9
123.06824	2.8
124.07577	36.9
127.03889	5.5
134.05989	3.4
134.09647	19.7
135.08060	6.9
136.07544	20.7
137.05954	39.2
137.08298	2.6
138.09111	5.9
144.08005	2.2
145.04913	3.6
145.06386	2.4
146.05972	4.3
147.06767	5.6
147.07953	2.9
148.07547	37.7
149.05956	20.9
150.09064	2.1
152.07022	12.6
152.10657	5.8
153.05415	6.2
153.07784	2.8
154.08571	2.6
162.09125	36.0
163.07510	4.7
164.07051	4.0
165.05458	36.8
165.07712	4.1
166.08623	5.5
167.07024	10.0
170.97348	2.2
178.08617	2.3
179.09338	3.0
180.10178	28.8
182.08180	2.9
183.06468	16.7
190.08607	17.7
191.06982	11.8
191.08817	3.6
197.02455	2.0
198.11253	8.9
201.07509	3.2
204.08678	2.5
206.10242	5.3
208.09666	53.4
209.07979	2.4
209.09987	2.8
226.10712	100.0
227.11259	2.0
236.11241	5.0
244.11769	33.3
349.12820	2.3
351.37704	2.0
388.15973	3.0
406.17126	17.9
406.21857	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	406.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.1
55.05507	17.8
56.05014	13.1
57.03414	12.3
58.99569	14.3
67.05497	13.4
69.03413	31.9
69.07065	19.2
69.76094	79.4
70.06578	55.5
71.04974	22.4
76.02197	30.2
79.05476	17.6
81.03364	13.5
81.07024	42.5
83.04958	19.6
84.04491	55.9
84.08129	19.9
85.02880	50.2
85.06535	16.0
86.00620	11.3
86.09676	25.0
91.05459	18.1
93.07037	21.5
95.04957	15.2
95.08593	27.4
97.02888	13.0
97.06545	12.3
98.09676	13.0
98.21535	12.4
102.48415	11.4
105.06986	21.0
107.04951	14.9
107.08581	14.7
109.10155	22.1
113.72349	10.3
116.01688	20.8
119.08556	37.3
120.08051	13.3
121.10143	19.8
122.56525	10.7
130.04916	11.8
130.06725	12.9
131.08620	13.5
133.10106	30.9
136.07632	13.4
137.05949	14.9
137.09648	12.4
139.11166	22.2
145.04855	14.1
145.10109	15.9
149.67400	12.5
156.08376	23.9
156.10197	14.7
162.02226	19.7
165.09111	15.7
167.06932	21.3
174.09496	17.5
175.14828	53.1
179.04800	16.7
181.04927	17.8
191.14308	33.9
200.13516	13.6
204.08487	12.3
209.11655	20.6
227.12802	22.5
244.09792	12.7
244.15556	16.5
259.11084	100.0
275.99246	14.0
293.81970	10.9
313.23172	10.7
388.23160	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15591	5.4
55.05500	18.2
57.03425	7.0
67.05495	10.7
67.96001	5.6
69.03418	16.1
69.88297	39.1
79.05485	10.8
81.03392	13.3
81.07051	37.7
83.04957	29.6
83.08613	17.0
84.05227	5.9
85.02890	30.1
87.69975	6.8
93.07024	13.2
95.04945	11.0
95.08583	19.7
97.02880	10.5
97.06492	10.4
105.07007	18.0
107.04939	8.4
107.08594	30.8
109.06519	48.3
109.10143	22.8
111.08102	7.8
113.89426	6.2
115.36642	5.8
119.08564	23.2
121.02872	37.9
121.10124	47.7
123.08045	8.9
123.11707	10.5
124.03951	8.4
125.09625	18.6
127.03849	7.2
131.08556	10.6
133.09198	6.4
133.10091	33.1
135.08073	9.3
135.11658	7.7
137.05989	12.9
138.06401	10.3
139.11107	10.0
145.04916	7.5
147.11649	12.4
149.13243	24.9
151.03889	11.2
151.11147	15.7
153.09099	12.7
161.06013	6.1
163.14795	18.7
167.07043	9.4
167.14267	18.9
173.13243	24.9
175.14807	36.4
181.04977	28.0
181.15755	8.9
182.05305	20.3
191.14278	27.9
193.15819	8.7
209.11598	6.6
209.15358	100.0
234.08397	13.6
244.09651	13.8
272.72345	6.8
274.68738	6.8
312.58667	6.5
338.11188	6.2
358.26895	7.8
388.14505	10.0
388.23199	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	406.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44655	4.9
55.05502	4.9
57.03422	7.2
67.05476	9.4
69.03405	10.9
69.07058	11.4
71.70255	10.1
79.05473	19.3
81.03413	7.2
81.07063	31.8
85.02884	13.1
91.05486	7.3
93.07027	13.4
95.08593	15.3
97.06497	6.8
97.41619	5.5
105.07013	7.2
107.08583	95.9
109.06469	6.2
109.10131	5.5
110.78824	4.5
119.08580	16.0
121.10140	33.4
123.08036	14.3
125.09562	7.8
127.03929	6.3
128.98717	5.8
131.08472	5.6
133.10117	6.8
135.11632	12.9
137.09587	7.6
151.11124	7.0
156.73814	4.6
161.13243	11.8
163.14815	15.7
163.63347	5.0
173.13217	14.1
179.14302	100.0
180.14650	5.0
181.04878	4.5
191.14311	46.3
191.41357	4.6
209.15335	40.2
227.16357	43.0
244.09657	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	406.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	13.1
56.04997	7.4
67.05507	14.9
69.03413	26.1
69.07045	14.0
69.58295	76.0
70.06565	22.6
71.04979	20.7
77.22214	8.4
79.05489	21.4
81.03381	14.9
81.07039	28.7
84.08121	10.9
85.02889	48.1
85.06551	9.5
86.09689	15.8
91.05480	16.4
93.07036	47.4
95.04949	11.9
95.08589	30.1
97.02879	11.7
97.06501	15.3
98.21416	17.7
99.04433	8.0
103.05466	9.7
105.07021	32.6
107.08546	40.8
109.02827	13.3
109.06489	19.4
109.10139	25.2
112.49037	7.3
116.07065	19.5
119.08564	25.7
121.10131	77.2
123.11739	15.0
125.02378	10.2
130.09433	8.2
131.08537	20.5
133.10104	96.7
135.08003	11.1
135.11700	19.2
137.05946	13.4
137.09616	8.4
141.44676	9.4
143.08496	10.2
145.10081	16.4
147.11583	16.8
151.11179	25.6
163.14874	9.2
171.11609	7.8
173.13275	41.4
181.04951	16.4
191.14276	85.2
209.15317	70.4
226.14386	30.2
227.16406	100.0
244.15457	31.6
244.20003	12.2
281.45316	8.6
282.09470	8.9
310.09003	14.0
406.20676	20.9
428.18640	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	407.1692
Annotation	Icariol A1
Peak:m/z	Relative Intensity
53.03933	1.9
55.01868	18.4
55.05509	1.0
57.03432	1.2
59.72878	0.9
63.90179	0.8
65.03925	7.4
65.77245	0.8
67.05499	4.9
69.03420	4.6
69.07066	2.2
70.06581	6.9
71.70618	1.3
72.08105	1.4
74.06065	1.0
79.05505	4.2
81.03398	2.5
81.07043	2.9
82.00543	1.5
82.04166	3.1
83.08575	0.9
84.08130	3.0
85.02892	7.5
86.09670	1.7
91.05452	4.1
93.03390	2.5
93.07016	2.9
94.04162	1.2
95.04948	4.7
95.08595	2.6
97.02879	1.8
97.06521	2.6
99.04445	1.3
103.05438	8.3
105.07018	2.7
107.04929	5.7
107.08567	2.1
108.02087	2.0
109.06491	1.8
109.10158	1.6
110.03634	4.3
111.04430	1.9
115.05425	1.9
117.07001	3.1
119.08567	2.9
120.08109	2.1
121.02839	1.2
121.06485	3.4
122.03608	2.3
123.04404	3.7
123.08101	1.0
124.05153	0.9
124.07579	3.3
125.05963	3.0
125.09621	1.6
127.03911	1.2
128.06200	2.0
129.07004	8.2
129.10228	2.1
131.04913	12.9
131.08572	2.5
133.06421	1.7
133.10120	1.8
135.04343	1.3
135.08043	1.0
136.07596	1.4
137.05951	34.6
138.03093	1.6
138.06305	1.0
142.02628	2.2
145.06448	4.6
147.04404	2.2
147.11626	1.3
149.05945	7.0
149.09535	1.2
151.03917	2.0
151.07529	2.2
153.05450	2.0
155.07005	2.4
157.06488	8.6
159.04337	1.4
159.07994	1.3
160.05136	2.5
161.05969	3.0
163.03958	1.0
163.07494	6.1
167.07022	16.6
167.10672	1.1
171.06506	8.5
173.05911	1.5
174.06804	4.1
175.07503	10.3
175.11206	1.0
177.05438	22.1
177.09016	1.6
178.05960	1.0
181.04930	100.0
182.05276	2.9
183.06581	1.1
187.07498	1.8
189.09056	11.9
191.07056	0.9
193.12207	1.2
205.08560	4.2
209.08044	33.1
211.13271	1.3
217.08565	7.2
221.07973	1.5
227.08080	1.5
235.09596	17.6
241.09743	1.2
247.09775	1.1
272.07321	1.8
277.08627	1.1
278.09384	0.8
296.85257	0.9
297.08704	1.4
309.10855	1.1
315.09607	1.2
321.11340	1.8
339.12231	1.7
341.13577	1.5
353.14124	1.3
359.14871	3.4
371.14886	10.5
389.16211	31.8
390.15588	1.3
396.98868	0.9
407.13559	3.6
432.95358	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
55.01838	1.1
55.05501	3.5
57.03419	1.1
57.07062	1.7
67.05489	4.7
68.31016	0.9
68.99765	0.6
69.03419	0.8
69.07072	3.7
69.37801	0.6
69.41280	7.8
70.06581	4.0
79.05476	4.4
81.03391	1.0
81.07034	8.2
83.04970	1.1
83.08611	1.9
85.02850	0.9
85.06527	0.6
88.07609	1.1
88.89314	0.7
91.05476	4.0
93.07027	7.4
95.04956	2.0
95.08591	9.7
97.06519	0.9
98.21445	1.3
98.51530	0.8
105.07001	8.7
107.04919	0.8
107.08575	7.6
109.06499	1.2
109.10144	4.3
117.06997	2.0
119.08556	11.4
119.57495	0.7
121.06501	0.9
121.10120	6.5
123.11700	1.7
124.00572	0.9
128.06178	1.4
129.06958	2.0
130.07744	0.7
131.08543	6.9
133.10094	6.2
135.08020	1.1
135.11671	3.3
137.09616	1.0
142.07709	1.1
143.08559	3.2
144.09282	1.0
145.10103	9.5
147.11656	4.6
149.09619	0.7
149.13251	2.3
155.08459	1.3
157.10123	4.2
158.10922	1.2
159.11679	5.7
161.13280	1.9
163.11169	1.2
163.14793	2.3
169.10146	1.9
171.11655	2.8
173.13202	5.6
175.11163	0.8
175.14815	3.7
177.16350	2.8
181.10176	1.0
183.11624	1.9
185.13191	3.7
187.14784	8.4
189.16331	3.3
195.11613	1.1
197.13214	1.6
199.14781	2.1
201.16344	6.1
203.17972	1.1
205.15865	2.8
209.13216	0.8
211.14870	2.1
213.16364	3.0
215.17909	1.7
227.17886	1.0
237.16328	1.0
239.17856	0.9
241.19545	1.2
253.19482	1.0
255.20938	0.9
256.26443	1.3
257.26730	2.6
259.64893	0.7
285.10086	0.9
295.14844	0.9
301.29163	3.6
309.16605	2.2
315.19986	0.9
345.31985	1.6
375.12299	2.5
389.32056	1.3
407.24002	100.0
407.33105	12.4
408.24048	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	407.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
55.01838	1.1
55.05501	3.5
57.03419	1.1
57.07062	1.7
67.05489	4.7
68.31016	0.9
68.99765	0.6
69.03419	0.8
69.07072	3.7
69.37801	0.6
69.41280	7.8
70.06581	4.0
79.05476	4.4
81.03391	1.0
81.07034	8.2
83.04970	1.1
83.08611	1.9
85.02850	0.9
85.06527	0.6
88.07609	1.1
88.89314	0.7
91.05476	4.0
93.07027	7.4
95.04956	2.0
95.08591	9.7
97.06519	0.9
98.21445	1.3
98.51530	0.8
105.07001	8.7
107.04919	0.8
107.08575	7.6
109.06499	1.2
109.10144	4.3
117.06997	2.0
119.08556	11.4
119.57495	0.7
121.06501	0.9
121.10120	6.5
123.11700	1.7
124.00572	0.9
128.06178	1.4
129.06958	2.0
130.07744	0.7
131.08543	6.9
133.10094	6.2
135.08020	1.1
135.11671	3.3
137.09616	1.0
142.07709	1.1
143.08559	3.2
144.09282	1.0
145.10103	9.5
147.11656	4.6
149.09619	0.7
149.13251	2.3
155.08459	1.3
157.10123	4.2
158.10922	1.2
159.11679	5.7
161.13280	1.9
163.11169	1.2
163.14793	2.3
169.10146	1.9
171.11655	2.8
173.13202	5.6
175.11163	0.8
175.14815	3.7
177.16350	2.8
181.10176	1.0
183.11624	1.9
185.13191	3.7
187.14784	8.4
189.16331	3.3
195.11613	1.1
197.13214	1.6
199.14781	2.1
201.16344	6.1
203.17972	1.1
205.15865	2.8
209.13216	0.8
211.14870	2.1
213.16364	3.0
215.17909	1.7
227.17886	1.0
237.16328	1.0
239.17856	0.9
241.19545	1.2
253.19482	1.0
255.20938	0.9
256.26443	1.3
257.26730	2.6
259.64893	0.7
285.10086	0.9
295.14844	0.9
301.29163	3.6
309.16605	2.2
315.19986	0.9
345.31985	1.6
375.12299	2.5
389.32056	1.3
407.24002	100.0
407.33105	12.4
408.24048	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	407.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51729	0.3
55.05490	1.1
57.03423	4.0
57.07063	6.0
67.05495	2.8
69.07057	1.7
71.08625	3.8
77.77403	0.3
81.07056	3.0
83.08601	1.6
85.10175	2.3
93.07056	0.5
94.39098	0.4
94.98927	0.5
95.08587	4.7
97.10104	0.4
98.20648	0.6
107.08585	0.7
109.10139	2.3
112.99993	89.0
116.30988	0.3
119.08546	0.5
123.11677	0.8
131.01033	0.6
133.10103	0.6
137.13258	0.4
139.01561	0.4
145.10114	0.7
154.02736	0.5
154.07780	0.3
169.02579	100.0
170.02910	0.7
179.76141	0.4
187.14781	0.7
192.90613	0.4
213.16333	0.4
239.23621	0.6
248.11453	0.3
407.32849	1.4
418.17337	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13667	0.5
55.05496	1.5
57.03426	5.7
57.07068	9.0
67.05479	2.9
69.07063	1.2
69.47153	1.0
69.47578	3.7
71.08620	5.0
81.07047	3.4
81.78911	0.4
83.08601	1.6
85.10155	2.3
86.64491	0.4
89.06022	2.3
93.07028	0.5
95.08595	5.5
97.10189	1.0
105.07009	0.8
108.37435	0.4
109.10136	2.4
113.00002	100.0
119.08600	1.1
123.11742	1.0
131.01027	1.0
133.08571	0.7
133.10100	0.6
139.01563	0.7
143.08514	0.6
145.10057	0.5
154.21185	0.4
162.24693	0.4
169.02596	95.3
170.02965	0.9
201.16292	0.5
239.23647	0.5
407.33005	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
55.05499	8.0
57.03419	1.4
57.07058	3.7
67.05495	12.9
69.07053	15.3
69.68249	6.8
79.05482	15.3
81.06599	1.8
81.07043	23.2
83.04959	2.2
83.08612	10.7
85.06509	1.2
91.05460	15.9
93.06439	1.1
93.07029	30.1
95.04941	3.3
95.08595	52.3
97.06467	1.0
97.10145	3.6
99.08082	1.6
105.07016	36.6
105.07720	1.7
106.07257	1.2
107.04945	2.1
107.08578	54.8
108.08909	2.4
109.06473	1.6
109.10145	21.9
111.08040	1.9
115.05441	2.2
117.06997	11.0
119.08566	54.5
121.06504	1.7
121.10129	47.4
122.10500	1.6
123.08018	3.4
123.11684	10.4
125.09605	1.6
128.06114	1.7
129.06958	3.8
130.07770	1.5
131.08551	29.6
133.10110	35.1
135.08044	2.3
135.11674	17.7
137.09641	2.7
137.13228	3.4
142.07748	1.5
143.08531	8.3
144.09306	3.8
145.10101	60.4
146.10513	2.1
147.11655	20.5
149.09583	2.3
149.13237	17.3
151.11087	2.4
155.08467	1.3
156.09360	3.5
157.10120	11.4
158.10922	5.0
159.07962	1.1
159.11670	32.3
160.12325	1.6
161.09587	2.0
161.13234	16.3
163.11163	18.9
163.14810	10.8
169.10121	3.4
170.10896	1.5
171.11665	11.2
172.12402	2.2
173.13242	29.7
174.13939	1.6
175.14806	33.1
177.12761	2.3
177.16353	33.9
178.16716	1.1
181.10155	2.3
183.11713	5.5
184.41934	1.0
185.13249	8.5
187.14793	52.3
188.15205	2.6
189.09148	2.0
189.16374	14.4
191.14249	3.5
191.17952	4.0
195.11661	1.5
197.13176	3.3
199.14752	9.5
201.16357	62.2
202.16687	3.5
203.14278	1.2
203.17940	8.4
205.15857	100.0
206.16179	5.2
207.17445	4.5
211.14798	2.9
213.16353	6.0
215.17958	6.1
217.15878	2.6
217.19507	2.1
219.17355	2.0
225.16415	2.4
227.18077	4.8
229.15936	1.3
229.19507	2.1
231.17392	1.8
237.16280	1.7
239.17894	2.9
241.15594	0.9
241.19424	3.4
243.21155	1.1
245.18791	1.1
253.19543	1.1
255.21135	1.7
265.19543	1.2
267.21027	1.8
269.22632	1.7
271.21036	1.0
279.20935	1.0
311.23682	1.5
313.25183	1.7
315.19495	1.2
319.24084	1.3
333.25677	1.2
335.27350	1.5
337.25220	2.0
373.53836	1.2
389.32022	6.8
407.24805	11.0
407.33041	72.8
408.24619	1.6
408.33319	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	407.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	10.2
55.05745	1.7
57.07068	5.9
58.27839	1.6
58.60036	1.6
67.05502	14.6
69.07056	19.5
69.69491	12.1
73.86481	1.9
75.28921	1.8
79.05470	15.2
81.07043	31.7
81.07491	3.2
83.08608	10.3
85.06544	2.0
86.05310	2.0
86.15453	1.9
87.55470	1.9
91.05463	22.1
93.07033	35.9
95.04957	3.6
95.08590	58.4
97.10172	2.4
99.08097	2.6
105.07020	40.6
107.08579	61.4
107.81258	2.0
107.95736	1.7
108.08956	2.2
109.10146	28.8
116.06236	2.4
117.06993	10.1
119.08564	88.8
120.01718	2.1
120.08896	2.6
121.10127	50.4
123.11686	12.4
129.06960	4.5
130.07785	5.5
131.08554	37.7
132.26201	1.9
133.10121	37.7
135.11664	19.8
137.09567	4.9
137.13277	3.8
143.08510	11.9
144.09315	2.0
145.10107	72.7
147.11670	24.4
149.09579	2.5
149.13235	19.9
151.11230	2.8
155.08502	2.4
156.09328	4.5
157.10078	11.6
158.10907	9.3
159.11681	50.0
160.12144	2.9
161.13243	19.3
163.11154	22.4
163.14795	15.5
170.10902	3.6
171.11682	13.5
172.12477	2.8
173.13252	39.8
174.13722	2.0
175.14799	35.0
177.12726	2.5
177.16356	36.4
178.48903	2.0
183.11700	7.4
184.12503	2.1
185.13252	13.8
187.14790	62.7
189.16347	17.3
191.14299	3.8
191.17984	6.9
197.13231	3.6
199.14801	11.9
199.16434	2.1
201.14488	4.1
201.16356	76.9
202.16728	4.4
203.17882	10.0
205.15857	100.0
206.16136	3.6
207.17435	7.0
211.14841	2.6
213.16322	11.3
215.17981	7.2
217.15900	3.0
217.19466	2.1
225.16339	4.4
227.17992	6.5
229.19550	3.8
231.17419	2.9
239.17934	3.1
241.19656	2.2
259.20807	2.4
267.21149	2.4
319.24197	2.7
340.49295	2.1
389.31934	6.3
407.33057	76.7
408.33469	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	407.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	8.9
57.07058	3.9
63.04334	0.9
65.03917	1.0
67.05499	10.9
69.07050	15.8
70.16561	4.8
71.08630	1.3
79.05477	10.8
81.07042	23.1
83.04953	1.2
83.08606	8.4
91.05458	15.7
93.07027	27.8
95.04939	3.2
95.08588	47.9
96.08916	0.9
97.06509	1.8
97.10150	1.9
99.08098	1.2
99.76598	0.9
105.07005	34.4
106.09248	0.9
107.08572	56.6
109.06484	1.4
109.09401	1.6
109.10137	23.1
111.08046	1.3
115.05457	0.9
116.06203	0.9
117.06976	7.2
119.08560	63.4
120.08911	1.6
121.06497	1.1
121.10124	48.3
123.08010	1.7
123.11686	10.1
127.11031	1.0
128.06180	1.3
129.07016	2.1
130.07787	2.0
131.08540	31.2
132.08859	1.2
133.10100	32.6
135.08005	3.3
135.11665	21.8
135.12637	1.7
136.11920	1.3
137.09581	4.6
137.13213	2.9
139.11148	1.2
141.06944	1.0
143.08586	7.8
144.09332	3.6
145.10100	62.1
146.10652	1.5
147.11655	19.3
148.12030	1.0
149.09581	3.0
149.13240	19.3
151.11166	3.0
155.08530	1.3
156.09308	2.7
157.10091	11.8
158.10886	5.2
159.11670	45.1
160.12321	1.0
161.13216	17.6
163.11165	12.6
163.14789	11.8
169.10136	2.7
170.10892	2.6
171.11667	12.5
172.12408	3.5
173.13237	41.9
174.13823	1.8
175.11232	1.1
175.14795	30.4
177.12827	1.5
177.16351	32.7
178.16817	1.0
183.11673	5.1
185.13248	12.0
187.14792	63.4
188.15170	2.8
189.16356	17.0
191.14296	4.3
191.17932	2.6
195.11642	1.4
197.13243	2.4
199.14786	11.0
201.16353	79.0
202.16699	3.4
203.14307	1.2
203.17952	8.2
205.15849	100.0
206.16196	3.2
207.17409	7.8
209.13229	1.7
211.14844	2.3
213.16325	8.8
215.14252	1.6
215.17909	4.8
217.15857	2.7
217.19406	2.0
219.17393	3.0
225.16411	1.6
227.17912	4.3
229.19489	2.7
231.17412	3.5
231.21126	1.1
233.18950	2.3
239.17932	1.7
241.19582	2.2
255.20920	1.4
267.20996	1.4
269.22595	1.6
281.22672	1.9
295.24106	1.4
313.25433	1.3
389.32001	6.3
407.33035	69.4
408.33194	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	407.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	10.2
57.07047	5.0
66.84348	1.3
67.05495	19.2
69.07053	17.0
70.41375	6.8
74.14872	1.6
79.05482	12.7
81.07043	31.9
83.04974	2.9
83.08598	12.7
91.05454	15.8
93.07026	27.9
95.08593	63.8
97.06502	1.5
97.10123	1.9
99.08054	1.9
103.05450	1.7
105.06330	2.8
105.07011	46.5
107.08574	47.0
108.08871	1.9
109.06490	3.0
109.10132	27.7
110.10477	1.5
111.08009	2.5
115.05417	1.3
117.06973	5.9
119.08560	61.3
119.09404	3.4
121.06456	1.3
121.10126	37.6
123.08049	1.6
123.11672	14.4
128.06160	1.7
129.06966	3.4
130.07750	2.3
131.08545	28.5
133.10114	35.0
134.10509	1.5
135.08009	2.3
135.11664	15.3
137.13242	4.0
138.10793	1.4
141.06897	1.7
142.07663	2.2
143.08534	14.4
144.09274	3.2
145.10098	52.6
146.10400	2.3
147.11671	18.4
149.09547	2.3
149.13228	21.0
151.11163	2.7
155.08531	4.5
156.09206	1.4
157.10081	19.2
158.10913	3.4
159.11662	31.1
161.13225	18.2
163.11130	6.6
163.14806	16.2
165.12593	1.7
169.10078	4.9
170.10930	3.8
171.11664	15.4
172.12383	4.3
173.13235	26.3
175.11209	2.0
175.14793	22.7
177.12752	2.7
177.16386	13.5
181.10089	2.3
182.10837	1.8
183.11612	8.5
185.13222	14.8
187.14786	84.2
188.15100	3.1
189.16339	23.2
191.14297	3.9
191.17905	5.0
197.13164	5.0
198.14110	1.9
199.14777	12.6
201.16359	33.3
203.14223	2.9
203.17882	9.3
205.15822	19.8
205.19615	1.9
207.17445	4.4
209.13214	4.3
211.14687	7.4
213.16341	13.3
215.14273	4.5
215.17896	10.4
217.15840	4.2
219.17467	3.0
223.14824	2.9
225.16347	4.2
227.17902	7.3
229.15982	2.6
229.19537	5.8
231.17380	4.0
233.18921	3.8
237.16263	2.2
239.17767	2.7
241.19504	4.1
243.17397	2.0
243.21185	3.6
251.17867	4.4
253.19460	2.7
255.21068	5.2
265.19534	2.3
267.21085	3.9
269.22540	2.6
277.19336	2.6
283.20343	1.8
293.22479	2.4
295.24139	2.1
311.23605	6.1
319.24210	2.9
332.44180	1.8
333.25604	1.8
335.27155	2.9
337.25140	2.5
347.27216	2.9
365.28525	1.8
386.82968	1.4
389.31982	16.7
407.33002	100.0
408.33350	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	407.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86089	0.6
55.05470	2.9
65.03906	1.0
67.05482	6.6
69.03382	1.8
69.07068	4.3
70.00716	4.5
71.04964	1.0
73.30750	0.7
79.05488	6.1
81.07048	12.1
82.09455	0.8
83.04935	3.0
83.08591	2.5
87.31560	0.7
91.05466	6.7
93.06501	1.1
93.07031	12.5
95.04926	1.7
95.08591	16.1
97.06480	2.2
97.10161	0.8
98.21449	1.1
105.06354	0.9
105.07012	16.7
107.08575	15.4
109.06505	1.5
109.10136	11.9
111.08029	1.1
116.06190	0.9
117.06950	3.1
119.08561	18.0
121.09254	0.9
121.10125	10.7
123.08047	1.1
123.11686	4.2
125.09599	1.1
128.06161	1.6
129.06935	1.9
131.08548	24.6
132.08867	1.2
133.10098	9.4
135.08002	0.8
135.11678	3.8
137.09575	1.9
137.13190	1.6
143.08559	6.2
144.09325	0.8
145.10101	49.0
146.10397	2.7
147.11667	7.4
149.13228	5.6
151.11136	1.3
152.76399	0.8
155.08606	0.9
156.09317	1.2
157.10117	5.6
158.10809	2.3
159.11681	14.3
161.09509	0.8
161.13235	4.3
163.14807	5.9
169.10106	1.5
170.10883	1.3
171.11656	3.4
172.12421	2.8
173.13225	7.7
175.14784	5.6
177.16441	3.5
183.11626	2.2
185.13295	5.3
187.14793	100.0
188.15109	7.3
189.16360	9.6
191.17920	1.4
195.11742	0.8
197.13235	2.0
199.14786	6.0
201.16365	25.9
202.16722	1.1
203.17912	3.4
205.15884	2.9
207.17455	3.7
211.14845	1.3
213.16316	7.7
215.17909	5.3
216.18040	0.8
217.15871	1.8
219.17393	0.9
223.14886	1.3
225.16310	2.1
227.17892	3.4
229.19536	1.1
231.17249	0.8
233.18967	3.2
237.16351	1.1
239.17867	1.5
241.19502	1.8
243.20969	1.1
245.18748	0.9
251.17763	1.1
252.04062	0.8
253.19473	1.4
255.21077	1.7
267.21112	1.0
271.47714	0.7
281.22440	1.1
283.20740	0.7
293.22531	1.2
363.30283	1.5
389.31924	5.4
407.33075	29.2
408.33231	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	407.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.1
55.01862	2.7
55.05505	16.3
57.03426	1.8
57.07071	5.0
67.05493	30.2
69.03422	1.9
69.07056	25.1
69.45094	1.5
69.53260	8.5
69.53682	7.2
71.05009	1.7
77.51139	1.6
78.15063	1.6
79.05476	19.1
81.07040	54.4
82.50443	1.8
83.04972	6.5
83.08621	7.2
85.06552	2.2
91.05461	27.6
93.07027	50.5
94.07348	4.0
95.04959	14.5
95.08586	79.3
96.08938	2.6
97.10172	5.3
105.07008	88.3
106.07380	3.7
107.08575	71.0
108.08918	3.9
109.06501	9.4
109.10136	60.7
109.10866	3.2
110.10498	2.8
111.08092	4.1
111.11751	1.9
116.06263	2.1
117.06989	9.3
119.08560	63.4
120.08945	2.9
121.06541	2.5
121.10120	45.5
123.08073	6.4
123.10921	2.4
123.11684	11.4
125.09612	9.8
129.07040	6.4
131.08537	34.9
131.09447	3.0
132.08896	3.0
133.06534	2.2
133.10106	42.6
134.10521	2.1
135.08098	5.7
135.11674	20.7
137.09592	4.4
137.13237	2.4
141.07054	2.7
142.07784	4.1
143.08527	18.7
143.09471	1.9
144.09277	3.3
145.10094	57.8
145.11201	3.3
146.10397	4.1
147.08093	4.5
147.11665	43.7
149.09662	3.0
149.13226	35.1
149.14287	2.5
150.13477	2.2
151.11206	4.1
155.08556	6.7
156.09375	3.1
157.10086	23.2
158.10870	5.0
159.11653	27.4
159.12746	2.1
160.12228	2.0
161.09627	7.2
161.13246	20.0
163.03946	1.8
163.11246	2.6
163.14801	28.5
163.16002	2.5
169.10065	8.7
170.10895	3.3
171.11716	13.5
172.12312	2.0
173.09676	3.1
173.13258	28.0
174.13652	3.3
175.11255	7.3
175.14809	29.4
177.12773	3.6
177.16359	24.1
178.16751	2.8
181.10220	2.2
183.11627	9.1
184.12492	2.4
185.13245	13.9
186.13686	2.4
187.14792	85.9
188.15135	9.8
189.12863	2.3
189.16365	32.0
191.14394	3.7
191.17979	9.3
193.15915	2.2
195.11697	4.1
197.13286	5.6
198.13705	2.0
199.14737	16.2
200.15324	2.2
201.16353	25.4
202.16820	3.1
203.14386	10.6
203.17918	71.9
204.18344	3.1
205.15942	2.7
209.13210	2.1
211.14899	5.8
213.16362	21.2
214.16879	3.4
215.14389	2.0
215.17928	13.5
217.15858	18.1
217.19385	3.3
223.14789	3.2
225.16350	8.0
227.17795	10.0
229.15929	4.5
229.19510	4.5
231.17499	3.2
231.21147	5.7
233.19016	3.6
237.16365	3.9
239.17917	8.4
241.19501	8.7
243.17439	3.8
243.21092	3.8
251.18095	2.9
253.19528	3.6
255.21130	4.9
257.19180	3.5
265.19522	2.3
267.21078	5.3
269.18988	1.8
269.22650	1.6
279.20941	3.2
283.20615	2.8
283.24258	2.7
293.22614	1.8
305.22836	2.1
317.05646	3.8
317.58188	1.9
333.08472	3.7
337.25311	2.1
349.29037	5.6
361.28946	3.7
389.31830	18.2
390.32529	2.7
407.12491	4.4
407.33133	100.0
408.33597	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	407.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.05499	13.8
57.03418	2.5
57.07058	2.1
57.81382	1.4
65.03938	3.0
67.05494	24.7
69.03408	5.4
69.07053	18.4
70.14630	4.8
70.15047	3.7
77.03902	1.8
79.05481	16.3
81.07043	50.4
83.04967	10.6
83.08611	6.9
84.08128	1.9
88.91032	1.9
91.05463	23.7
91.05973	2.5
93.07034	48.3
94.07334	1.8
95.04951	9.5
95.08589	65.5
96.08898	3.3
97.06521	3.7
97.10185	4.8
99.08089	2.2
105.07013	66.4
107.08572	61.1
108.08897	2.7
109.06515	6.5
109.10142	53.4
110.10500	2.0
111.08089	4.7
111.11737	1.9
117.06995	11.5
119.08560	68.5
119.09406	3.4
120.08911	3.7
121.06470	2.0
121.10129	44.0
123.08068	5.4
123.11702	12.9
125.09584	8.4
129.07004	5.9
131.08554	30.9
131.09444	2.6
132.08899	2.3
133.10103	38.9
135.08073	3.0
135.11697	18.2
137.09618	5.9
137.13239	3.0
141.06975	2.3
142.07802	4.8
143.08554	17.6
144.09311	3.1
145.10100	52.5
146.10556	2.6
147.08015	2.3
147.11670	30.3
149.13228	30.4
151.11198	3.9
155.08566	5.5
156.09351	3.2
157.10101	19.7
158.10808	5.3
159.11671	29.7
159.12915	1.9
160.70091	1.9
161.09636	4.9
161.13284	16.4
162.13596	1.9
163.03934	2.1
163.11180	4.8
163.14801	21.5
169.10132	6.8
170.10927	2.1
171.11671	12.9
172.12360	3.6
173.09798	2.1
173.13246	28.7
174.13620	3.5
175.11192	6.0
175.14816	29.7
177.12801	2.1
177.16348	21.2
181.10187	3.5
183.11720	7.4
185.13249	16.3
186.13734	2.6
187.14801	69.8
188.15146	4.0
189.16394	30.1
191.14294	3.7
191.17979	5.7
195.11627	3.4
197.13290	4.4
198.13721	2.2
199.14835	16.5
200.15189	2.5
201.12556	2.1
201.16367	32.5
201.18137	2.3
202.16737	2.9
203.14328	5.7
203.17921	43.1
205.15895	14.1
205.19662	2.0
208.12173	1.6
209.13297	2.9
211.14813	5.3
213.16377	22.5
214.17079	2.8
215.14317	4.1
215.17931	18.0
217.15877	10.4
223.14781	2.9
225.16344	9.0
227.17961	6.2
229.15894	5.0
229.19493	4.2
231.17458	4.2
231.21086	4.3
233.19066	2.5
237.16418	3.3
239.17931	8.7
241.19395	9.4
243.17432	3.3
243.21257	3.5
253.19516	4.8
255.21066	6.3
257.19156	2.7
265.19449	2.6
267.20999	9.4
269.22629	1.8
279.20975	3.3
281.22769	2.9
283.20807	2.6
283.24274	4.6
285.18399	1.7
291.20905	2.2
310.59351	1.9
319.24051	3.2
337.25296	1.9
349.29077	6.1
361.28903	4.1
372.61819	1.7
389.31967	13.0
407.12729	2.1
407.33145	100.0
408.33832	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	407.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.05499	11.4
57.03419	1.5
57.06821	0.9
57.07060	5.2
59.34630	0.9
62.77089	0.9
64.09622	1.0
65.03937	1.2
67.05495	19.6
69.03415	1.9
69.07056	19.1
70.06580	1.5
70.22301	3.9
71.04984	1.4
71.17171	0.8
77.03898	1.0
78.04708	1.1
79.05480	15.7
81.03391	2.6
81.07043	29.3
82.07385	1.3
83.04974	3.0
83.08140	1.4
83.08611	8.0
85.06527	2.1
86.09753	1.1
87.77766	1.0
88.33820	1.0
89.75093	0.9
91.05466	22.5
93.07033	35.6
94.07368	1.2
95.04938	5.4
95.08593	56.6
96.08890	1.4
97.06517	3.1
97.10155	2.4
99.08086	4.0
103.05434	1.6
105.07011	39.8
106.07370	1.8
107.04955	2.4
107.08578	60.2
108.08916	1.8
109.06484	2.9
109.10147	28.5
111.08099	2.3
115.05480	2.3
117.07003	10.4
119.08570	80.6
120.08902	2.0
121.06500	2.8
121.10126	48.2
123.08050	3.0
123.11694	11.1
124.40942	1.1
125.09618	2.0
127.03920	1.2
127.15370	0.9
128.06201	1.7
129.06981	5.5
130.07779	3.0
131.08553	41.4
132.08907	1.4
133.10109	40.1
134.10519	1.5
135.08075	3.3
135.11674	21.3
135.47626	1.0
137.09616	8.8
137.13243	2.7
142.07758	3.3
143.08556	12.5
144.09300	2.5
145.10106	68.8
146.10524	1.9
147.07970	1.0
147.11662	24.9
149.09608	2.9
149.13237	17.6
150.13580	0.9
151.11209	3.5
155.08507	2.8
156.09351	4.1
157.10126	18.1
158.10931	6.1
159.11676	48.5
160.12154	1.2
161.13228	18.9
163.11160	16.0
163.14784	12.4
164.11543	1.1
165.12819	1.2
169.10121	6.1
170.10890	3.9
171.11665	16.9
172.12451	4.7
173.13245	41.2
174.13712	2.3
174.17497	0.9
175.11185	2.3
175.14803	28.2
176.15027	1.4
177.12727	2.3
177.16368	27.6
178.16685	1.7
179.14275	1.3
181.10074	1.2
182.10974	1.2
183.11674	9.6
184.12344	2.1
185.13234	17.6
186.13893	1.8
187.14799	90.3
188.15161	4.4
189.09129	1.1
189.16364	21.5
191.14310	4.1
191.17891	5.1
195.11665	2.3
196.12498	1.2
197.13275	6.6
199.14790	14.8
200.15199	1.3
201.16359	100.0
202.16678	5.5
203.14256	2.3
203.17940	9.8
205.15852	73.6
206.16226	3.4
207.17421	10.8
208.17825	1.0
209.13188	2.1
211.14824	4.4
212.15312	1.1
213.16351	21.9
214.16721	2.7
215.14377	3.2
215.17891	7.6
217.15886	2.1
217.19527	2.7
219.17494	3.5
221.13194	1.0
223.14848	2.6
225.16373	5.6
227.17912	9.2
229.15857	1.4
229.19601	1.5
231.17412	2.9
233.19014	2.6
237.16339	5.0
239.18034	2.8
241.19562	3.5
243.21017	1.9
251.18074	1.3
253.19470	3.4
255.21088	2.4
257.18958	2.0
265.19760	1.5
267.21103	3.2
269.22647	1.4
277.19446	1.0
279.21082	1.7
283.20599	2.0
313.25388	1.6
319.24161	2.4
335.27368	2.2
337.25299	2.2
347.27414	1.1
379.33710	0.9
389.27893	1.2
389.32068	8.2
390.32285	1.1
407.33096	83.7
408.33438	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	407.3664
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05500	20.1
57.07056	10.6
67.05148	2.2
67.05495	30.8
69.07056	53.4
69.08203	1.7
70.00323	11.4
71.08608	3.0
73.04659	2.0
77.30518	2.0
79.05468	17.2
81.07043	87.5
83.08611	21.9
90.69820	1.7
91.05473	10.7
93.06440	2.2
93.07029	36.4
95.08587	69.8
97.10152	8.6
105.07011	29.7
107.08582	40.3
108.88358	1.7
109.10139	52.1
111.11689	5.0
113.00011	12.1
117.06994	4.7
119.08566	32.8
121.10120	33.8
123.11691	25.6
125.05581	1.9
128.06238	2.3
129.07050	1.9
131.08559	13.1
133.10098	20.9
135.11673	20.7
137.13232	13.0
143.08560	7.5
144.09335	2.0
145.10081	23.6
147.11665	26.2
147.87624	1.9
149.13213	14.2
151.14798	3.0
155.08505	2.4
156.09378	2.6
157.10095	14.9
159.11670	25.8
161.13240	21.3
163.14821	9.0
169.02608	9.5
171.11644	16.7
172.12343	2.2
173.13246	21.2
175.14755	12.7
177.16377	6.6
183.11670	2.5
185.13266	14.6
187.14783	17.5
189.16353	10.9
191.17961	5.5
197.13263	4.7
199.14818	6.4
201.16415	14.5
203.17917	6.0
210.25633	1.8
211.14774	5.4
213.16365	9.8
215.17900	13.5
217.19435	4.8
225.16321	3.9
227.17900	11.7
228.18695	2.7
229.19460	14.4
231.20915	2.8
239.17781	3.4
241.19550	6.2
245.22473	2.7
253.19527	4.0
255.21045	5.4
257.22623	7.7
269.22601	7.2
271.24124	3.4
283.24179	6.3
295.24252	3.4
297.25766	5.2
323.27335	3.3
325.28812	7.6
337.28885	3.6
351.30347	6.7
365.32187	5.4
407.36673	100.0
408.36975	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	407.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49897	2.1
53.53729	2.2
55.05510	14.0
57.07066	8.8
61.61786	2.2
67.05492	22.4
69.07063	54.4
70.83878	8.2
71.08598	2.5
79.05479	13.7
81.07045	80.2
83.08589	16.6
85.10181	2.3
91.05466	9.9
93.07035	27.8
95.08597	58.9
95.80894	2.5
95.81561	2.1
97.10164	6.4
105.07015	32.2
107.08583	31.9
109.10145	45.4
111.11708	3.3
113.00018	14.6
117.07009	4.4
119.08563	33.0
121.10141	30.6
123.11689	23.3
127.73891	2.7
131.08566	13.9
133.10109	23.8
135.11676	19.8
137.13246	14.1
142.07822	3.0
143.08559	9.2
144.09311	3.6
145.10081	24.7
147.11661	20.7
149.13249	14.9
149.83084	2.6
157.10132	10.8
159.11679	28.5
161.13226	21.6
163.14809	9.7
167.37227	2.4
169.02599	19.3
170.10652	2.9
171.11697	11.1
173.13258	17.7
175.14819	16.1
177.16379	4.9
183.11723	4.5
185.13269	8.9
187.14732	12.6
189.16405	10.9
191.17957	5.4
197.13167	4.7
199.14841	9.0
201.16379	16.0
203.17981	9.5
211.14868	2.9
213.16364	10.1
214.93541	2.5
215.17923	12.8
217.19565	4.2
227.17921	12.0
229.19489	11.5
241.19569	4.1
243.21085	5.8
253.19518	3.4
255.21066	6.6
257.22693	7.6
269.22775	5.2
283.24243	7.3
297.25800	5.1
309.26010	2.8
323.27313	4.0
325.28903	7.2
337.28943	5.5
351.30396	5.0
407.36780	100.0
408.37299	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	407.3666
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.60628	5.2
55.05493	20.7
56.70789	5.0
57.07057	17.0
59.69087	5.4
67.05502	27.1
69.07057	64.1
71.08600	7.9
73.67046	5.6
79.05467	15.4
80.91804	4.3
81.07041	92.3
83.08593	19.3
85.06527	21.6
90.56923	5.1
91.05452	17.3
93.07031	27.9
95.08591	84.6
97.10139	13.8
105.07016	32.1
107.08585	55.5
109.06521	5.9
109.10134	53.1
112.75001	5.3
113.00008	29.2
113.05978	14.3
117.06956	5.0
119.08541	35.6
121.10128	42.5
123.11667	25.9
131.08557	20.0
133.10086	28.1
135.11673	30.2
137.13226	16.8
143.08473	10.8
145.10103	27.8
147.11668	29.9
149.13240	27.8
151.14764	7.8
157.10089	18.1
159.11674	27.1
161.13228	16.7
163.14781	14.2
169.02586	22.5
171.11638	13.8
173.13220	11.5
175.14822	15.2
177.16325	7.4
183.11658	11.0
185.13245	16.8
187.14749	17.3
189.16330	13.2
191.17924	9.9
197.13345	7.0
199.14777	11.8
201.16368	14.2
203.17938	9.7
211.14876	5.0
213.16310	11.1
215.17934	16.4
217.19473	6.9
227.17938	13.3
229.19508	8.3
243.20981	5.7
255.21048	10.2
257.22562	12.9
269.22675	10.1
281.22336	5.7
283.24112	7.5
287.43512	5.0
297.25748	7.3
407.32285	6.6
407.36819	100.0
416.54086	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	407.3665
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
51.54305	1.4
53.03934	2.8
54.31972	1.4
55.05499	14.8
57.07067	4.9
67.05492	25.3
69.07057	23.9
69.38614	10.4
69.39037	3.9
71.08650	2.3
75.26237	1.2
79.05476	12.3
79.47374	1.1
80.50484	1.3
81.07041	49.9
83.08602	10.6
90.32718	1.4
91.05458	12.4
93.07025	34.2
95.04961	3.6
95.08589	88.9
96.08924	2.2
97.06507	1.6
97.10170	6.2
105.07012	33.0
107.08575	44.7
107.65359	1.4
109.06525	2.3
109.10133	51.4
111.11729	3.4
113.00052	3.2
117.07014	3.8
119.08554	41.0
121.10124	33.3
121.10963	2.0
121.79404	1.3
123.11685	19.7
128.06253	1.6
129.06982	2.8
130.07794	1.8
130.54834	1.3
131.08545	16.4
131.09444	1.5
133.10115	26.1
135.08163	1.4
135.11668	23.7
137.13223	14.9
141.06999	1.4
142.07759	2.2
143.08583	5.5
144.09369	2.7
145.10101	25.7
147.11658	26.2
147.12714	1.9
149.13231	22.5
151.14839	2.4
155.08522	2.2
156.09392	2.0
157.10107	9.3
158.10942	1.7
159.11670	27.6
161.13226	23.5
163.11185	1.5
163.14809	14.1
169.02679	2.7
169.10136	3.1
171.11624	9.4
173.13231	16.2
175.14784	15.8
177.16345	8.9
181.10133	1.5
183.11699	2.0
185.13220	8.0
187.14778	17.9
188.15366	1.9
189.16356	16.7
191.17924	21.1
192.18436	1.7
197.13263	1.8
199.14783	9.1
201.12732	2.3
201.16327	20.7
203.14308	3.0
203.17928	20.8
205.15991	1.5
205.19531	4.6
211.14885	2.3
213.16336	6.9
215.17905	20.5
217.15910	2.3
217.19452	14.8
217.21121	1.3
225.16435	1.5
227.17995	6.1
229.19400	8.1
231.21080	2.4
239.17912	2.6
240.72815	1.6
241.19554	5.2
243.21107	7.3
245.22772	3.1
253.19649	4.2
255.21025	8.1
257.22528	15.8
259.24222	2.3
267.20990	2.2
269.22656	9.1
271.24417	1.7
281.22382	1.5
283.24344	4.7
295.24335	1.6
297.25824	4.9
309.26108	2.1
323.23657	1.6
323.27402	2.1
325.28986	1.9
337.28976	3.3
351.30536	2.8
365.32031	2.4
389.32321	2.8
407.25760	6.7
407.36908	100.0
408.37225	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	407.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.05510	17.2
57.07069	5.2
67.05495	23.1
69.07062	21.5
69.99299	4.3
69.99733	3.6
70.52419	1.1
71.08622	2.0
79.05492	14.3
81.07050	57.6
81.23436	1.2
83.08607	11.1
87.08145	1.4
91.05473	15.1
93.07042	37.0
95.04986	1.6
95.08596	80.3
96.08922	1.8
97.10163	6.6
98.21468	1.3
99.08166	1.2
105.07021	32.5
107.08583	51.2
109.10147	55.1
111.11743	3.7
113.00053	4.6
117.07038	6.2
119.08568	49.1
119.09380	2.0
121.10136	37.8
121.10958	2.2
121.78150	1.3
122.10455	1.4
123.11688	21.9
128.06186	2.4
129.07005	2.7
130.07774	1.9
130.90839	1.4
131.08562	15.6
132.23837	1.4
133.10117	27.9
135.11678	25.3
137.13252	14.7
143.08545	6.3
144.09395	2.7
145.10114	29.1
145.11192	1.7
147.11670	31.1
149.13248	23.0
149.14282	1.8
151.14850	3.0
155.08524	1.6
156.09389	1.4
157.10127	9.9
159.11670	31.4
161.13261	23.6
162.13696	1.5
163.14822	18.5
169.02660	1.5
169.10213	3.6
171.11667	9.8
172.12460	1.4
173.13261	15.9
174.14029	2.1
175.14816	15.3
177.16377	12.3
183.11781	4.0
185.13251	9.5
187.14798	20.6
189.16379	27.4
191.17953	18.3
197.13365	2.6
199.14830	10.1
201.16376	23.2
202.16893	1.7
203.17924	23.8
203.19597	1.5
205.15977	3.2
205.19589	4.7
209.13254	2.4
211.14859	3.0
213.16389	8.1
215.17917	23.9
215.19771	1.9
217.19490	15.8
219.21170	1.5
225.16396	2.2
227.17856	6.8
229.19447	11.2
231.21210	3.6
239.18097	3.3
241.19617	5.8
243.21066	6.6
245.22781	2.0
253.19637	2.7
255.21042	10.2
257.22632	21.7
257.25256	1.7
267.21109	2.1
269.22583	11.9
271.24380	1.3
281.22656	2.0
283.24298	4.0
295.24075	1.9
297.26004	4.3
309.25809	2.0
323.27502	2.1
337.29025	1.7
351.30563	2.3
365.32269	3.0
389.32294	3.5
407.37000	100.0
408.37454	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3667
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
52.12491	1.2
53.03931	2.3
55.05505	14.6
57.07070	6.9
65.03935	1.7
67.05139	1.8
67.05498	31.3
69.07062	32.2
71.08633	2.4
73.60633	1.4
77.65775	1.2
79.05482	12.2
81.07044	69.6
82.07343	1.2
83.08614	14.9
91.05452	14.6
93.07032	32.7
95.04928	2.9
95.08594	90.8
96.08933	3.1
97.06483	1.4
97.10139	8.0
98.21402	2.9
100.18504	1.5
105.01411	1.6
105.07024	36.9
106.07322	1.2
107.08579	52.0
109.06525	2.4
109.09403	3.2
109.10141	53.0
111.08054	2.0
111.11710	2.3
117.07005	5.6
119.08567	53.5
119.09415	3.0
120.08909	2.0
121.10134	41.2
123.08054	2.4
123.11697	26.1
125.13285	1.4
129.06990	4.4
131.08548	14.4
133.09163	2.3
133.10124	30.3
134.10486	1.6
135.08063	1.5
135.11673	25.0
137.13232	17.3
141.06956	1.5
142.07765	2.7
143.08551	11.8
144.09300	2.7
145.10118	34.4
147.11665	29.5
149.13240	21.6
151.14824	3.7
155.08551	3.0
156.09267	2.1
157.10104	13.0
158.10812	2.9
159.11670	27.5
161.09619	2.0
161.13246	19.7
163.11212	1.6
163.14796	16.4
165.69022	1.3
169.02650	1.9
169.10112	4.5
170.10834	2.1
171.11678	10.4
172.12360	1.8
173.13237	19.2
175.14830	16.3
177.16360	11.8
183.11676	4.7
185.13229	13.8
186.13876	1.9
187.14801	26.8
189.16360	18.6
191.17923	17.8
197.13220	5.9
199.14751	14.0
200.15421	1.7
201.16360	23.9
203.17920	20.3
205.15932	3.4
205.19450	5.0
209.13237	2.0
211.14769	3.7
213.16325	12.2
214.16991	2.8
215.17908	19.3
217.15860	1.5
217.19466	11.4
218.63873	1.3
223.14838	1.6
225.16341	2.6
226.17073	1.6
227.17976	10.8
229.19476	9.7
231.17438	1.5
231.21019	3.8
237.16302	1.8
239.17844	3.5
241.19489	7.5
243.21040	7.9
245.22517	2.1
251.17908	1.5
253.19470	3.4
255.21100	13.8
257.22604	24.5
267.21118	4.0
269.22632	15.5
271.24191	3.3
281.22641	3.6
283.21030	2.2
283.24225	5.1
285.25726	1.4
295.24152	4.1
297.25742	4.8
309.25613	1.8
311.27139	1.7
323.27209	3.1
325.28751	2.0
337.28738	3.3
351.30289	4.6
364.31296	1.6
365.31720	2.3
389.32007	3.4
407.37012	100.0
408.32593	2.0
408.37701	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	408.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.05503	31.0
56.05027	1.3
58.99571	15.1
59.35862	0.6
61.01128	1.4
64.68830	0.6
70.85991	1.2
70.86340	1.1
73.01116	1.7
74.24096	0.7
76.02213	7.3
76.03995	3.7
76.34630	0.6
78.01780	0.8
79.05447	1.4
81.07024	1.8
83.06078	1.5
83.08607	46.0
84.03996	1.2
84.04490	20.9
84.08955	0.7
85.01097	1.5
86.99039	11.2
88.02197	3.4
99.02645	0.9
99.05547	1.3
99.08090	0.8
101.09632	2.6
102.05476	1.2
105.00049	1.4
107.08601	1.0
113.04200	0.9
114.43535	0.6
115.05791	1.1
115.68539	0.7
116.01660	59.1
129.06552	4.7
129.07355	1.7
130.04993	4.7
141.04935	0.6
142.03218	3.6
144.01122	31.2
145.06056	1.8
153.06538	1.0
157.80420	0.7
159.08368	31.3
160.08711	0.8
162.02176	100.0
163.02477	1.6
170.02682	1.7
176.11017	2.9
205.09023	1.2
244.10062	1.4
245.05856	0.9
253.31262	0.7
261.10858	2.8
262.11044	49.1
263.11404	1.1
279.13702	14.3
315.94611	0.6
333.14764	15.0
345.14645	0.7
398.30505	0.8
408.17834	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	408.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.2
55.05507	26.2
56.05014	1.1
58.99578	15.4
64.02029	1.0
71.01601	2.5
73.01122	1.8
76.02211	7.4
76.03989	3.5
81.07034	2.4
83.06065	1.3
83.08608	41.8
84.04491	20.4
85.01128	1.4
85.02869	1.0
86.99036	8.8
88.02200	3.1
101.09644	2.6
107.08555	1.8
115.05772	1.9
116.01660	54.8
121.02854	2.8
129.06577	3.8
130.04991	4.0
141.07310	1.8
142.03192	2.8
144.01125	27.2
145.06053	2.1
158.08107	1.4
159.08372	38.4
162.02184	100.0
170.02702	1.5
176.11021	5.2
179.04762	1.2
221.78423	1.1
244.09993	1.4
245.05940	1.5
246.11279	2.3
261.10846	2.3
262.11075	42.9
279.13742	18.9
333.14740	9.9
408.17889	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	408.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17661	1.0
53.03948	1.2
55.01860	1.8
56.05017	2.0
56.96547	1.7
57.03437	1.1
61.02932	1.2
61.80923	1.1
62.06080	2.2
69.03408	3.6
70.06566	2.9
71.70556	2.0
72.04494	2.4
74.06068	3.9
79.05474	4.2
81.03391	2.7
82.06551	2.0
83.04948	3.3
84.04480	1.8
84.08119	2.0
85.02872	7.4
86.06060	2.6
91.05486	2.7
93.07017	4.8
94.06573	1.5
95.04950	4.5
95.08559	1.8
97.02863	3.9
97.06550	2.6
98.06046	3.6
98.97560	2.5
99.04445	2.7
100.07590	1.5
103.05476	1.8
107.04939	1.3
108.08096	1.2
109.02863	1.9
109.06473	2.7
110.06070	2.2
111.04396	1.8
113.02353	1.5
116.98618	2.1
118.08638	1.6
119.08550	1.6
121.06486	23.0
122.06857	1.3
127.03923	2.6
131.04956	1.2
136.07556	1.8
137.05893	2.1
139.07523	1.3
148.07469	2.0
149.05957	73.4
150.06308	2.1
152.76962	1.3
164.10692	2.0
166.08598	1.8
167.07021	100.0
168.07382	3.0
177.00653	1.4
182.11794	2.0
184.09673	5.7
185.08098	6.8
192.10143	3.5
200.12743	1.8
206.10207	14.7
209.94972	1.1
210.11249	10.9
219.01767	1.4
226.05948	2.5
228.06754	1.5
228.12317	20.2
237.02919	2.0
241.43330	1.2
246.07840	1.3
246.13354	3.1
378.88309	1.2
390.17319	1.6
408.14844	2.9
408.19556	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.8
55.01853	6.5
55.05494	5.7
56.05018	7.3
56.96557	31.9
57.03419	10.0
58.06586	8.8
61.02910	10.5
65.03932	5.2
67.05492	11.7
69.00521	2.3
69.03418	39.8
70.06576	11.6
70.46796	11.2
71.01351	5.7
71.04972	10.0
73.02885	12.8
74.06065	18.8
74.97667	2.7
79.05487	25.1
81.03406	35.8
81.07048	23.3
82.06544	4.4
83.04960	16.2
84.04491	6.0
84.08139	9.9
84.96017	7.9
85.02895	57.2
86.06064	20.2
86.73591	2.4
87.04447	8.7
91.03989	2.6
91.05470	27.0
93.07037	20.0
94.06576	4.5
95.04956	40.1
95.08598	8.7
96.08113	2.7
97.02882	31.8
97.06499	19.4
98.03210	2.5
98.06040	4.0
98.97565	72.4
99.04433	7.4
101.00851	2.8
101.06061	3.1
105.07004	6.2
107.04941	16.2
107.07320	3.1
107.08582	3.1
109.02872	10.4
109.06499	19.1
110.05997	4.1
110.97581	10.5
111.04429	16.3
111.08051	2.7
111.46120	2.6
112.99110	3.8
115.03965	2.7
116.98603	53.2
119.01887	14.5
119.04930	11.8
120.08086	3.6
120.97894	2.3
121.06487	20.2
122.05989	3.5
122.09666	4.2
123.04395	21.4
123.08064	6.3
124.07570	8.1
125.05984	9.1
127.03878	19.1
128.98593	14.3
130.81303	2.5
131.00160	5.0
131.01874	7.3
131.04909	6.1
133.03394	3.1
134.99631	26.5
135.04385	6.9
136.11188	3.1
137.05980	15.7
139.07561	3.9
140.00172	2.7
141.05400	2.5
143.00162	6.6
143.01872	15.9
145.01662	3.5
145.04912	4.8
146.99628	14.1
147.03268	4.7
147.04373	5.7
147.08080	3.9
149.01192	4.4
149.05850	12.2
151.07501	5.8
153.05420	5.3
155.01820	3.5
155.04655	6.9
155.07034	5.6
156.10164	3.0
158.99657	32.8
161.01251	8.6
161.02939	20.4
163.02681	5.1
164.10684	11.1
165.05482	7.1
166.08578	4.7
166.55554	3.8
167.07010	17.0
170.99600	5.4
173.01225	5.3
173.02945	9.8
173.06580	6.6
177.00687	34.8
179.02266	3.9
182.11716	22.4
183.06528	10.1
184.09668	43.0
185.01198	4.6
185.06609	5.7
185.08086	8.3
187.02759	4.3
189.00696	11.7
189.04388	7.4
191.02232	4.0
191.03906	4.9
192.10208	5.9
195.01775	3.6
199.02737	3.0
200.02533	3.1
200.04381	11.6
200.12781	20.3
201.00662	4.0
201.04179	6.3
203.07596	6.2
205.05424	5.1
206.10147	3.7
210.04637	4.6
210.11246	37.1
211.55211	4.7
212.12781	9.7
213.00708	4.6
215.07678	3.9
217.05531	3.2
219.01738	30.7
220.01971	4.8
221.05034	9.1
223.04782	3.6
226.05946	9.0
227.06717	34.6
228.06557	3.4
228.12288	100.0
229.12469	4.6
230.13919	6.0
231.01740	3.5
236.07254	10.6
237.02751	40.5
245.07086	2.9
246.07663	3.8
246.13254	5.8
261.02832	4.6
265.05704	2.5
275.09671	10.0
279.03873	7.8
282.06772	18.6
291.07419	11.4
293.10782	25.8
309.08441	40.7
317.09888	3.9
318.09283	2.7
332.09976	4.2
349.08072	11.7
351.09494	4.9
367.09021	4.8
390.17520	8.1
391.09555	5.4
407.92694	3.2
408.11868	13.4
408.18323	8.0
409.11032	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64744	0.9
56.05016	1.3
57.03411	1.4
59.06118	1.0
60.04230	1.5
60.04517	22.5
61.02901	2.9
62.06070	0.8
67.05511	1.1
69.03424	10.0
70.06576	6.3
71.04972	1.8
71.69918	1.2
73.02883	1.0
81.03396	3.8
81.07048	1.8
83.04967	1.6
84.04449	1.1
84.08144	1.2
85.02895	15.5
86.09716	1.2
87.04431	1.5
91.05440	1.8
93.07030	2.7
94.06570	2.6
95.04941	3.9
95.08586	1.7
97.02873	6.1
97.06497	1.1
98.06023	1.3
99.04430	2.0
105.06998	1.7
106.06551	1.0
107.04940	1.5
109.02872	1.9
109.06421	1.4
110.06027	1.3
118.06497	1.6
120.08070	3.3
121.06493	3.3
123.08029	5.7
124.07575	1.0
125.05934	1.1
127.03878	4.3
136.07506	2.9
137.05908	1.2
138.09114	1.0
145.04965	2.0
148.07420	1.3
149.05916	2.9
150.09099	2.1
151.04483	18.0
151.07521	11.8
152.05186	2.6
160.07571	2.3
164.05238	6.8
164.07159	0.9
166.08589	4.3
167.07011	12.9
168.07343	1.3
169.08626	1.1
180.10165	3.0
182.06331	89.6
183.06616	4.5
184.07886	1.4
185.08049	1.8
192.10077	2.1
210.05798	29.9
210.11217	7.9
211.05997	1.1
228.06856	100.0
228.12094	6.7
229.07135	5.1
229.10687	1.1
246.07915	42.9
246.13379	3.7
247.08340	2.1
326.72119	1.0
408.13043	5.5
408.17508	1.5
408.22995	1.2
414.46957	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01860	3.1
55.05499	7.2
57.03421	3.1
61.02921	2.3
64.32315	1.3
67.05497	16.9
69.03403	6.3
69.07063	13.2
70.06583	3.8
70.07391	1.5
71.04967	3.2
71.70745	1.3
73.02905	1.8
79.05481	10.8
81.03400	4.9
81.07046	51.3
82.07377	2.4
83.04972	5.9
83.08598	7.7
84.04475	1.1
85.02889	16.3
85.06526	4.9
91.03903	1.3
91.05472	15.4
93.07030	13.7
95.04961	2.8
95.08592	20.7
96.08918	4.2
97.02863	6.5
97.06531	5.6
97.10117	1.3
99.04435	1.7
99.08067	3.9
101.37269	1.1
105.07022	27.6
106.07340	3.9
107.08577	20.5
108.08926	5.9
109.02853	2.8
109.06501	4.1
109.10149	5.5
110.10441	2.4
117.07015	2.3
119.08563	28.0
120.08884	4.7
121.10129	27.3
122.10472	3.2
123.08048	3.7
123.11693	26.2
124.12045	1.7
126.01584	1.4
127.03896	3.4
127.07520	4.2
129.06978	2.3
131.08556	7.7
132.08862	3.3
133.10101	9.6
134.10443	3.9
135.11668	2.3
136.12024	2.3
137.05981	1.1
137.13271	2.8
139.11235	1.1
141.09033	1.5
143.08545	2.6
145.04948	4.0
145.10112	10.6
146.10484	6.4
147.11668	73.2
148.12039	4.0
149.09500	1.8
149.13257	1.3
150.13635	1.3
157.10092	6.8
159.11693	7.0
160.11966	3.4
161.13274	1.7
163.11133	2.4
163.14830	2.7
164.15089	1.4
165.12747	44.7
172.12074	1.4
173.13225	6.5
173.21730	1.2
174.13602	4.5
175.11125	1.3
175.14771	4.7
176.15160	2.6
177.16370	4.2
178.16797	2.9
180.08665	3.5
183.13797	16.4
185.13194	2.8
186.13663	1.3
187.14796	7.8
188.15131	6.2
189.16357	2.5
190.16615	1.7
193.12167	6.5
199.14763	2.1
200.15060	1.4
201.16333	8.7
202.16716	9.3
205.15863	11.2
206.16229	8.4
211.13170	7.8
213.16170	1.6
218.00969	1.2
229.14320	100.0
230.14700	3.1
246.16888	1.2
250.06367	1.1
277.69855	1.2
318.82065	1.2
390.32434	2.2
408.27420	6.4
408.33344	18.1
409.34756	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53726	0.3
55.05505	0.6
62.83475	0.3
62.89767	0.3
67.05503	0.9
69.03410	0.5
69.07062	0.6
71.04970	0.5
71.22657	0.9
72.73676	0.3
79.05478	0.4
81.03406	0.8
81.07047	2.0
81.91650	0.3
85.02911	1.0
91.05483	0.8
93.07037	0.8
95.08597	1.8
97.06509	0.6
97.10162	0.6
100.32603	0.4
105.07043	0.6
107.08598	1.1
109.10146	1.1
111.08086	0.4
119.08600	0.6
121.10122	0.6
123.04395	0.5
123.11719	0.6
126.68985	0.3
127.03989	0.6
127.07539	0.7
131.08542	0.6
135.08087	0.5
135.11757	0.4
143.08504	0.5
145.10098	0.5
147.04440	0.4
147.22559	0.4
159.11702	0.6
173.13342	0.4
183.11736	0.4
187.14844	0.4
194.08266	0.4
211.20564	1.2
244.48747	0.4
248.12799	0.5
250.36032	0.4
303.62515	0.4
373.27838	0.7
409.18289	100.0
410.18689	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	409.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.4
67.05489	0.4
69.03401	0.3
70.67555	0.8
70.67952	0.7
80.93945	0.3
81.07036	0.9
85.02879	0.5
91.05475	0.4
95.08607	0.5
95.99454	0.3
105.43905	0.3
107.08541	0.5
111.04376	0.4
127.03876	0.4
131.08476	0.4
143.08571	0.4
167.40538	0.3
203.05264	0.5
207.94493	0.3
244.69385	0.4
247.13005	2.8
259.34845	0.3
272.67792	0.4
304.96344	0.3
409.18289	100.0
410.18600	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	409.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.2
55.05495	0.3
57.03408	0.4
58.10879	0.2
67.05479	0.8
69.03426	0.6
69.07030	0.3
69.60430	1.9
70.77127	0.2
70.80994	0.3
72.08137	0.5
75.00922	0.2
79.05471	0.9
81.03395	0.4
81.07034	1.3
83.04954	0.4
85.02890	0.9
91.05443	1.4
93.07016	0.9
95.04928	0.7
95.08604	1.2
97.02866	0.4
97.06483	0.4
97.10123	0.3
98.20718	0.5
98.98508	0.3
105.07019	1.0
107.01028	0.6
107.08546	0.7
109.02840	0.4
109.10146	0.6
117.06994	0.5
119.08553	1.4
121.10100	0.5
123.08015	0.3
131.08536	0.7
133.10097	0.6
135.08083	0.4
143.08562	0.5
144.09360	0.3
145.10109	0.8
146.02341	1.2
147.07925	0.3
147.11678	0.4
157.10104	0.6
159.07922	0.3
159.11681	2.0
161.13205	0.8
161.38101	0.3
163.04984	0.7
163.14905	0.3
169.10112	0.4
171.11563	0.3
173.09590	0.3
173.13223	0.6
178.51151	0.3
187.14806	0.6
190.12294	0.5
193.06139	0.3
203.05215	0.5
203.08150	2.2
229.12132	0.9
232.90887	0.3
247.13045	2.8
363.26563	0.4
409.18231	100.0
410.13571	0.3
410.18634	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	409.1848
Annotation	Macrocliniside C
Peak:m/z	Relative Intensity
53.03936	0.4
54.58088	0.3
54.73861	0.3
55.01855	0.6
55.05502	1.5
60.97738	0.3
61.02905	0.4
65.03893	0.4
67.05492	2.2
69.03422	1.6
69.07050	1.8
70.56742	0.2
71.04957	0.4
71.71051	0.5
74.93082	0.3
79.05486	2.0
81.03393	0.9
81.07041	3.3
81.70904	0.3
83.04969	0.5
83.08583	0.7
85.02875	1.2
91.05457	3.8
93.07018	2.3
95.04943	1.1
95.08587	2.6
97.02844	0.7
97.06504	0.7
99.01965	0.4
103.05433	0.4
105.07005	4.8
107.04945	0.7
107.08568	3.0
109.02859	0.5
109.06490	0.9
109.10100	0.9
112.61597	0.3
115.05428	1.1
116.06181	0.7
117.07007	2.9
118.31544	0.2
119.04903	0.3
119.08554	5.6
121.06522	1.4
121.10104	0.8
123.04386	0.7
123.08042	0.4
127.03909	0.3
128.06194	0.5
129.06964	2.5
130.07771	0.5
131.04884	0.8
131.08548	9.3
133.06450	0.8
133.10132	1.7
135.08015	1.2
135.11638	0.4
139.04001	0.5
139.90573	0.3
141.06949	1.2
142.07712	1.4
143.08554	2.7
144.09251	0.8
145.03638	0.3
145.06476	2.6
145.10104	8.7
147.04375	0.5
147.08015	1.1
147.11658	2.9
149.13237	0.3
153.06956	1.3
155.08527	3.9
156.09294	0.5
157.10095	2.2
158.07249	0.6
158.10890	1.9
159.04373	0.8
159.08031	4.5
159.11667	2.3
160.08725	0.3
161.05965	2.1
161.09680	0.6
161.13217	0.9
163.07472	0.4
163.14755	0.5
167.08481	0.5
168.09293	3.4
169.09993	0.9
171.07999	0.9
171.11646	1.2
172.08794	0.6
173.05940	1.2
173.09692	1.4
173.13220	5.0
174.06721	0.5
175.07503	1.6
175.11096	0.5
175.14798	0.7
176.55515	0.3
177.05449	1.3
183.11615	3.1
185.09586	0.3
185.13269	0.9
186.10361	1.3
187.07491	0.7
187.11174	0.6
187.14799	2.5
189.16318	0.5
191.06996	0.9
191.14236	0.3
197.13190	0.3
199.14627	0.4
201.08986	0.3
201.12712	3.3
201.16376	0.8
203.14389	0.4
204.49089	0.3
211.11067	0.5
213.16257	0.3
214.09851	0.5
215.14377	0.4
216.11418	0.7
229.12193	100.0
230.12540	4.6
231.13736	4.0
243.13637	0.3
246.11224	1.1
247.13313	17.1
248.13571	0.7
260.02362	0.3
276.26935	0.3
289.14362	0.3
301.14474	0.4
345.91370	0.3
373.16284	0.4
391.12393	0.3
391.17218	1.4
391.29660	0.4
409.13055	0.5
409.18463	7.1
409.30597	1.7
410.19104	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
55.01853	1.5
55.05499	22.2
57.03417	1.3
57.07063	6.5
59.04995	3.1
61.65388	1.5
65.03927	2.9
67.05188	1.8
67.05495	22.9
69.03408	8.8
69.07054	11.7
69.67949	2.7
69.68360	9.1
71.04963	2.5
75.25323	1.3
79.05482	24.0
81.03355	1.3
81.07040	40.8
83.04967	4.7
83.08596	3.2
84.87456	1.1
85.06532	3.0
88.55727	1.2
91.05455	37.4
93.07028	53.2
95.04951	47.9
95.08587	42.2
95.09193	2.4
97.06528	6.2
97.10156	1.6
98.21379	2.7
103.05457	3.1
105.07008	100.0
106.07310	2.5
107.04868	1.5
107.08575	41.4
109.06504	9.4
109.10134	20.9
111.08043	3.7
111.45560	1.3
115.05432	4.0
116.06188	2.0
117.07005	13.8
119.04914	2.1
119.08558	72.8
121.06496	17.9
121.10127	25.2
123.08060	16.5
123.11678	6.6
125.05933	1.7
125.09590	1.7
128.06187	4.6
129.06964	6.9
130.07751	5.0
131.08546	25.3
133.06473	4.9
133.10100	29.2
135.08026	14.5
135.11668	13.0
137.09583	8.5
137.13206	2.8
139.74300	1.3
141.06943	4.8
142.07756	10.2
143.08540	15.0
144.09314	4.4
145.06436	2.4
145.10091	42.2
146.10675	1.4
147.08017	16.4
147.11655	46.3
148.08794	1.8
149.09616	10.0
149.13220	8.1
151.07512	15.5
153.09048	3.0
154.07710	2.3
155.08542	8.7
156.09288	5.2
157.10109	24.9
158.10938	1.5
159.08026	3.9
159.11665	18.8
160.08807	1.4
161.09593	8.2
161.13229	10.3
163.11133	4.4
163.14775	8.4
165.06943	2.1
165.09091	33.5
167.08548	3.1
168.09338	3.9
169.10098	10.8
170.10843	2.5
171.11694	9.5
172.08836	2.2
173.09572	4.8
173.13235	13.1
174.10406	1.8
175.11153	25.2
175.14781	6.8
177.09102	2.8
177.16360	6.9
179.08559	2.2
181.10098	5.1
181.12163	2.5
182.10802	2.1
183.11642	10.3
185.13168	7.5
187.11140	4.7
187.14825	10.6
187.56520	1.3
189.12721	4.6
189.16348	5.6
191.14262	2.4
193.10075	2.2
194.10838	1.4
195.11693	3.2
196.12386	1.9
197.13191	3.7
199.11156	2.6
199.14761	6.4
201.12698	6.3
201.16399	7.5
203.14296	15.0
203.17935	8.3
205.15784	6.1
207.11865	2.2
207.13748	4.4
209.13306	2.1
209.15375	1.7
211.14772	6.0
213.12663	1.9
213.16292	3.0
215.14322	2.3
215.17850	4.0
219.13773	3.7
221.15318	57.7
225.16254	2.6
227.14284	1.6
229.15781	4.8
229.19539	3.4
231.13759	2.3
233.15353	3.0
234.16118	15.4
239.14250	1.6
241.19473	2.9
255.21066	2.4
257.22528	2.2
283.16092	1.4
286.19199	2.8
287.19986	7.8
295.24265	1.8
300.20731	4.0
307.20755	1.4
313.25229	1.8
329.21094	5.7
391.26099	4.9
391.33551	3.0
392.31345	1.3
404.72107	1.4
409.27222	28.2
409.34503	24.2
410.27359	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.7
55.01854	2.9
55.05507	22.4
57.03431	2.5
57.07060	6.3
59.05000	3.3
65.03914	3.4
67.05492	28.0
69.03408	7.6
69.07060	20.6
71.04976	2.5
71.71002	2.8
77.03899	1.7
79.05482	31.9
81.03394	2.4
81.07046	52.7
83.04971	5.9
83.08611	7.7
85.06530	4.1
91.05469	45.1
93.07035	65.6
94.36724	1.4
95.04959	37.0
95.08595	62.9
96.37363	1.4
97.06506	6.0
97.10155	3.6
103.05454	2.3
105.07016	100.0
105.43829	1.7
106.07335	2.9
107.08576	55.7
109.06490	12.0
109.10143	33.8
111.08074	4.3
113.09590	1.6
115.05428	3.7
116.06247	1.7
117.07005	14.3
118.07793	2.0
119.04923	2.3
119.08567	79.7
121.06498	16.6
121.10132	40.9
123.08060	19.3
123.11694	12.3
128.06206	5.2
129.07005	11.9
130.07747	4.9
131.08543	29.1
132.09386	2.1
133.06473	4.0
133.10106	32.2
135.08052	13.9
135.11682	18.6
136.78102	1.4
137.05910	1.5
137.09602	9.1
137.13203	4.4
140.81129	1.4
141.06946	3.9
141.99603	1.3
142.07755	13.1
143.08546	20.3
144.09320	2.7
145.06462	2.2
145.10103	48.1
146.10628	2.0
147.08020	16.5
147.11668	45.0
148.08797	1.5
149.09593	12.5
149.13260	21.0
151.07523	16.9
151.11192	2.3
153.09029	2.4
154.07658	2.0
155.08531	9.2
156.09322	5.9
157.10112	29.8
158.10861	3.4
159.08064	3.9
159.11678	26.6
160.08821	2.1
161.09612	6.8
161.13228	13.8
163.07578	1.8
163.11130	8.1
163.14815	16.1
165.06964	2.3
165.09097	26.3
165.12663	1.5
167.08612	3.5
168.09248	3.6
169.10153	10.3
170.10918	3.5
171.11671	13.7
172.12332	2.3
173.09579	4.3
173.13205	17.7
175.11186	23.3
175.14806	16.4
177.09109	4.1
177.16354	14.9
181.10110	5.5
181.12030	2.2
182.10931	3.2
183.11710	11.5
184.12453	2.2
185.09607	2.4
185.13251	9.2
186.14020	2.5
187.11137	4.2
187.14795	14.9
189.12720	5.1
189.16385	12.5
191.14249	2.1
191.17960	3.7
193.10083	2.5
193.15785	1.7
195.11618	3.8
196.12434	2.7
197.13200	8.1
198.14040	1.7
199.11205	4.2
199.14799	5.8
201.09096	2.3
201.12726	7.5
201.16364	10.9
203.14322	13.5
203.17920	16.5
205.15875	14.0
207.11864	3.4
207.13809	5.4
209.13232	4.4
209.15218	2.6
211.14819	7.0
213.12766	2.5
213.16403	11.0
214.16945	1.7
215.14305	3.4
215.17923	12.2
217.15710	1.6
219.13864	2.7
219.17436	3.4
221.13387	2.2
221.15332	45.2
223.14850	2.9
225.16356	3.7
227.17876	4.7
229.15866	6.8
229.19539	4.9
231.13693	2.2
231.17375	3.2
233.15300	2.7
234.16107	12.4
241.19461	7.4
243.07866	1.6
243.21053	3.8
251.38293	1.7
253.15669	3.5
255.21107	9.7
257.22742	1.8
265.19604	1.6
267.17545	2.0
267.21051	2.8
269.22495	3.0
281.18997	1.9
285.22192	2.2
286.19482	3.3
287.20074	4.7
295.24124	2.7
299.19955	2.6
300.20828	5.4
313.25168	2.7
329.21085	5.4
353.24930	2.1
391.26141	3.6
391.33673	12.8
409.12622	4.7
409.27240	30.4
409.34567	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93630	1.5
53.03935	4.2
55.01852	2.9
55.05499	21.7
57.07065	8.2
59.04976	4.2
61.38286	1.5
62.13594	1.5
65.03927	3.3
67.05495	24.7
68.95141	1.4
69.03422	11.1
69.07058	15.4
69.46078	1.5
71.04973	2.6
71.97089	1.3
79.05479	22.1
81.03414	1.8
81.07046	44.0
83.04960	7.1
83.08602	6.1
83.17260	1.8
85.06526	6.0
91.05466	41.1
93.07032	53.2
95.04956	50.5
95.08587	53.1
97.06512	10.3
97.10159	5.4
103.05422	2.0
105.07011	100.0
106.07328	2.4
107.08580	43.0
109.06493	13.5
109.10142	26.7
111.08041	3.7
115.05420	4.6
117.06999	14.7
119.04906	1.7
119.08566	75.4
121.06491	17.7
121.10132	27.4
123.08045	18.2
123.11668	7.0
125.06030	1.7
125.09625	3.2
128.06180	6.3
129.06979	10.8
130.07726	3.8
131.08537	29.2
133.06454	4.6
133.10109	29.6
135.08031	13.8
135.11690	11.7
137.05942	1.7
137.09622	9.9
137.13223	1.7
137.97961	1.8
139.11172	3.2
141.06963	6.6
142.07770	12.5
143.08543	21.7
144.09312	4.2
145.06425	2.0
145.10103	48.1
147.08046	13.6
147.11665	36.2
149.09561	9.2
149.13255	9.0
151.07530	27.2
153.07047	2.4
153.09103	2.3
153.12708	2.3
155.08519	9.2
156.09265	5.1
157.10117	27.8
158.10887	2.8
159.08014	9.3
159.11682	28.2
161.09605	10.9
161.13237	9.4
163.11142	6.8
163.14810	7.0
163.92982	1.4
165.06929	2.2
165.09085	34.4
167.08572	3.7
168.09297	4.2
169.10092	14.7
170.10745	3.0
171.11624	14.7
173.09590	8.6
173.13211	13.9
174.10367	3.0
175.11168	20.8
175.14772	8.2
176.11522	1.5
177.09117	4.2
177.12660	2.6
177.16331	7.9
179.14371	1.9
180.09248	1.7
181.10069	5.1
181.12177	4.4
181.15869	4.1
183.11655	10.9
184.12285	1.5
184.14246	1.6
185.09656	2.0
185.13185	8.9
187.11156	4.2
187.14761	11.9
189.12752	6.1
189.16328	4.8
191.14296	4.0
191.17836	2.3
193.10042	2.0
194.10881	2.5
195.11774	3.8
196.12352	2.4
197.09724	1.8
197.13203	7.4
199.11053	2.7
199.14723	4.3
201.12694	7.4
201.16338	12.7
203.14326	12.3
203.17905	11.0
205.15855	6.0
206.10852	1.9
207.11810	2.3
207.13702	7.2
209.13226	3.5
209.15271	3.1
211.11157	1.5
211.14749	8.2
213.12878	1.9
213.16368	6.6
215.14359	3.2
215.17923	2.6
216.14816	1.9
219.13811	3.5
219.17299	2.6
221.13341	2.7
221.15312	59.7
222.15729	2.3
223.14787	3.5
225.16354	4.3
227.17949	3.6
229.15839	5.9
229.19376	3.5
231.13696	4.7
233.15300	4.0
234.16100	10.4
239.17857	2.6
241.19446	2.2
243.20871	2.0
249.16347	1.9
251.17873	2.3
253.19531	2.1
255.21164	3.0
267.21082	2.3
283.24136	2.6
286.19312	4.5
287.20041	7.0
293.80499	1.7
295.24176	1.5
300.20862	2.8
311.20108	1.8
313.21368	2.0
329.20990	5.4
353.21100	2.0
391.26205	6.5
391.33624	6.1
409.27289	43.9
409.34549	45.9
410.27661	2.2
410.34869	3.8
430.67731	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.6
55.05500	15.4
57.03423	1.4
57.07072	8.0
57.27935	1.2
59.04987	2.3
65.03922	2.8
67.05186	1.9
67.05498	23.2
69.03410	6.0
69.07050	10.3
71.04985	1.5
77.03935	2.0
79.05486	20.4
81.03414	1.4
81.07046	38.7
83.04965	3.8
83.08601	3.0
85.06507	3.8
91.05468	32.2
93.07032	50.7
95.04956	47.5
95.05406	0.8
95.08009	2.0
95.08595	39.8
97.06510	8.3
98.21466	3.2
103.05443	4.7
105.07019	100.0
106.95600	1.3
107.04928	1.7
107.07909	2.6
107.08580	33.5
109.06503	12.2
109.10154	14.8
111.08029	1.6
115.05404	2.4
117.06995	14.4
119.08568	67.8
121.06510	18.5
121.10134	20.1
123.08046	16.0
123.11678	3.7
124.44714	1.3
125.05925	2.7
128.06194	2.8
129.07004	6.6
130.07787	3.0
131.07651	2.2
131.08551	22.4
133.06502	4.8
133.10112	19.5
135.08044	13.4
135.11662	9.3
137.09595	10.7
137.13231	2.2
141.06967	4.1
142.07771	12.6
143.08545	13.9
144.09276	4.9
145.06441	3.2
145.10107	39.8
147.08037	16.8
147.11665	40.8
149.09602	12.8
149.13234	7.4
151.07526	17.5
153.09096	2.6
155.08517	7.5
156.09320	4.4
157.10114	20.6
159.08029	5.6
159.11708	18.6
161.09584	6.0
161.13220	8.9
163.11133	5.2
163.14815	5.1
165.06990	2.1
165.09113	29.9
167.08531	4.1
168.09283	4.3
169.10135	7.3
171.11662	11.3
173.09607	4.2
173.13205	10.9
175.11172	28.6
175.14783	4.8
177.09070	5.9
177.12744	2.3
177.16373	5.7
178.09834	1.9
179.08492	1.6
181.10106	3.5
181.12175	2.5
182.10922	2.3
183.11659	10.4
185.13136	7.0
187.11159	3.8
187.14783	8.0
189.12724	5.5
189.16373	3.4
191.14325	2.9
191.17886	2.1
193.10170	1.6
195.11642	2.7
196.12389	2.1
197.13255	3.9
199.11212	3.4
199.14833	4.9
200.11749	1.6
201.12717	7.5
201.16373	6.1
203.14291	12.1
203.17964	5.6
205.15855	4.5
207.13823	7.0
208.95850	1.4
209.13313	2.9
209.15327	2.5
211.11191	1.8
211.14771	6.4
213.12727	2.3
213.16258	2.3
215.08179	1.5
215.14339	3.2
215.17874	3.7
216.15021	2.7
219.13777	5.2
221.13344	2.8
221.15321	62.9
223.14801	2.1
225.16306	2.8
227.14426	2.0
229.15869	4.6
231.13785	3.5
233.15302	3.3
234.16121	15.3
241.19484	1.6
255.20979	2.3
267.17340	2.1
269.18845	1.6
281.19171	1.8
286.19299	2.7
286.85330	1.4
287.20071	8.4
299.20294	2.1
300.20706	4.1
329.20993	5.1
363.30206	1.4
391.26303	4.5
391.33582	3.7
409.27252	34.5
409.34500	20.7
410.27621	2.4
417.29175	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25035	4.9
52.16692	5.7
55.05505	39.3
63.72917	4.7
65.03951	5.3
67.05495	52.2
69.03414	17.2
69.07053	51.8
69.42094	54.6
69.42509	10.5
71.04974	16.2
79.05488	17.9
80.57691	5.3
81.03395	5.3
81.07041	100.0
83.04974	20.4
83.08595	29.0
85.02895	15.2
87.04446	7.5
91.05456	8.7
91.69395	5.7
93.07040	15.6
95.04935	6.2
95.08592	98.9
97.02903	6.9
97.10182	38.1
105.07024	9.0
107.08608	12.6
109.10136	59.7
111.11703	19.7
113.46769	5.5
119.08572	8.5
121.02859	27.4
121.06480	4.9
121.10072	7.7
122.03192	15.6
123.04513	6.0
123.11674	35.9
131.08548	7.8
133.10150	6.8
137.02303	6.8
137.13260	26.5
138.84685	5.9
145.10078	11.4
147.04375	8.3
159.11659	8.7
193.19556	9.5
199.12254	5.5
211.20567	24.7
229.21567	81.2
234.86688	6.7
246.11285	11.8
246.85951	5.9
247.11644	37.5
260.14304	6.1
308.70056	6.5
329.12634	5.4
409.18042	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	409.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16030	8.4
55.05493	39.6
57.75837	9.1
67.05499	73.5
69.03408	22.1
69.07059	59.4
69.48339	24.4
69.48742	60.1
71.04972	17.0
79.05476	28.0
81.03409	17.3
81.07042	92.0
83.08586	24.4
85.02878	27.3
85.06528	19.6
91.04967	9.2
91.05472	36.5
93.07054	47.5
95.04967	12.8
95.08603	100.0
96.85394	9.8
97.10152	29.7
98.98453	37.9
99.07986	9.0
105.07008	63.4
107.08588	58.6
109.02828	14.9
109.06514	16.3
109.10133	72.0
111.11659	21.4
117.07030	16.7
119.08564	77.0
119.46490	8.4
121.10135	27.9
123.11739	20.5
127.03882	17.8
131.08530	33.1
133.10118	46.7
135.07990	16.6
135.11650	31.0
137.13254	11.5
143.08548	28.3
145.10088	52.6
147.11650	24.8
149.13211	15.3
155.00987	31.8
157.10089	29.1
159.07930	9.8
159.11659	35.8
161.09596	17.5
161.13237	27.0
163.11156	21.7
163.14833	19.6
171.11699	14.0
173.13243	31.5
175.14784	25.8
177.12711	11.3
177.16348	11.6
183.11710	18.5
185.13272	17.7
187.14803	51.6
199.14655	17.1
201.16362	24.9
209.13330	8.6
211.14821	10.4
211.20470	17.6
211.39050	8.6
214.63429	9.2
215.14323	12.1
217.15845	13.8
219.10086	10.3
227.14265	10.5
229.15833	11.7
229.21599	28.3
237.14713	12.3
247.05844	8.6
391.29892	15.2
409.31076	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27238	8.5
53.03922	10.8
55.05486	27.9
55.37677	8.0
65.03918	11.2
67.05505	64.8
69.03410	25.0
69.07058	49.7
69.71232	60.3
70.06553	11.3
71.04977	14.8
72.38844	8.9
79.05459	29.9
81.03392	37.1
81.07035	78.7
83.08583	21.8
85.02879	39.3
85.06489	11.2
91.05461	38.7
93.07022	40.2
95.04946	14.1
95.08589	100.0
97.02870	16.0
97.06493	22.4
97.10140	37.6
98.21470	8.7
99.04433	14.9
99.08054	15.4
105.07005	36.5
107.08560	43.1
109.02836	20.4
109.06503	16.2
109.10149	64.4
111.04388	9.7
111.11703	19.5
119.08572	52.6
121.10122	34.0
123.11671	30.8
127.03910	14.6
131.08511	27.6
133.10095	21.5
135.08066	21.2
135.11688	19.1
137.13231	18.0
143.08578	14.4
144.09235	12.6
145.10081	30.8
147.11618	18.7
151.07567	10.0
155.08510	11.3
157.10065	18.8
159.11658	32.1
161.09578	10.6
171.11629	21.4
173.13208	23.3
175.14784	11.9
177.16478	8.6
183.11697	10.9
185.13176	20.9
186.93196	9.3
187.14781	23.8
193.19615	9.3
211.20506	25.2
212.91431	9.2
217.15939	10.9
229.12189	27.4
229.21562	43.2
247.10832	29.6
337.05417	9.4
362.21161	10.2
388.70700	9.6
391.21222	9.4
409.18347	18.0
409.26602	12.7
409.31183	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	409.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
54.50632	1.1
54.74567	1.2
55.01847	1.6
55.05502	12.2
57.03413	2.1
57.07046	3.5
65.03934	3.1
67.05486	21.6
69.03400	4.4
69.07056	15.2
71.04977	2.2
71.08646	1.5
72.02235	1.0
77.03916	1.4
79.05485	16.1
81.03403	2.5
81.07042	30.2
83.04954	2.9
83.08599	5.9
85.02872	4.2
85.06538	3.2
86.09678	1.1
87.04433	2.4
91.05463	26.3
92.05721	1.5
93.06435	1.7
93.07026	39.8
95.04939	4.7
95.08587	48.7
96.08943	2.9
97.02892	1.5
97.06514	3.8
97.10130	2.0
99.08079	19.0
103.05444	2.5
105.07007	42.0
107.04944	1.9
107.08569	49.6
108.08878	1.4
109.02840	1.4
109.06506	8.7
109.10127	34.7
111.08052	8.7
115.05403	1.1
116.06208	2.2
117.07012	10.1
119.08551	76.2
120.08079	6.6
120.08920	2.8
120.68386	1.1
121.06476	12.4
121.08446	3.4
121.10118	34.4
123.08040	11.4
123.11700	7.6
125.09612	2.0
125.43501	1.1
127.07534	3.1
128.06166	3.5
129.06958	6.5
130.07771	3.9
131.08546	40.6
132.08873	1.3
133.06497	1.2
133.10107	31.9
134.10503	1.7
135.08037	12.8
135.11665	19.1
137.05972	2.9
137.09578	8.2
137.13196	2.3
142.07759	4.6
143.08530	19.8
144.09302	3.8
145.06503	1.4
145.10091	50.7
145.11227	2.7
147.08037	7.2
147.11655	31.5
149.09561	3.6
149.13211	14.8
151.11118	1.8
155.08514	6.7
156.09331	4.9
157.10088	24.9
158.10820	4.4
159.08020	4.5
159.11650	33.1
159.12956	2.1
160.11995	1.7
161.09593	12.8
161.13234	27.2
163.11133	5.9
163.14786	12.0
165.12738	2.6
169.10043	9.5
170.10831	4.4
171.11649	25.6
172.12306	3.0
173.09615	4.9
173.13223	33.4
174.13611	2.7
175.11151	4.5
175.14792	25.5
175.16179	2.1
177.09032	2.4
177.12737	3.6
177.16341	4.1
179.14325	2.5
181.04979	1.6
181.10083	3.0
182.10822	1.8
183.11665	11.9
184.12350	2.6
185.13211	28.9
185.14749	2.1
186.13777	1.5
187.11214	5.7
187.14774	57.2
188.15250	2.4
189.12712	11.1
189.16348	14.1
191.14325	3.3
193.15887	3.1
195.11639	4.7
196.12497	1.5
197.13257	8.6
199.11081	2.9
199.14775	24.1
200.12048	2.4
200.15170	1.7
201.12766	5.6
201.16339	28.9
201.18143	1.7
203.14302	6.1
203.17928	3.2
205.15884	2.1
207.11766	1.3
207.13733	3.2
209.13229	4.0
210.14049	1.3
211.14803	9.1
212.15524	2.0
213.12761	3.0
213.16345	10.7
215.14294	22.4
215.17912	3.9
216.18393	1.3
217.15839	3.9
219.17426	1.4
221.13339	2.0
221.15302	2.0
223.14758	3.0
224.84581	1.3
225.16341	6.0
227.14403	2.0
227.17944	8.2
229.12210	1.5
229.15810	14.1
229.19397	2.2
235.14728	2.6
235.16861	2.0
237.16345	3.4
239.17969	4.4
241.16052	1.9
241.19353	6.1
243.17464	5.3
247.09541	2.3
251.18015	3.4
253.19473	4.8
255.17419	2.6
255.21046	3.1
263.17889	1.8
265.19345	1.9
267.17212	1.5
269.18930	3.8
269.22437	1.5
293.22534	1.7
295.20493	2.2
307.20657	1.7
307.24133	1.7
313.21567	2.0
319.24289	1.8
321.22174	2.5
335.27307	1.7
337.25226	5.5
363.26715	3.2
363.30545	1.9
373.28854	4.3
391.29947	23.0
392.30307	2.5
409.30969	100.0
410.31406	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	409.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.7
55.05508	15.7
57.07058	4.1
65.03938	3.0
67.05498	29.2
69.03402	4.8
69.07056	16.9
70.07377	1.9
70.07693	10.5
75.15028	1.7
79.05470	20.4
81.03411	4.4
81.07037	34.4
82.54086	1.9
83.04953	7.0
83.08594	7.0
85.02890	2.9
85.06531	5.4
91.05465	32.2
93.06436	2.4
93.07029	45.1
95.04945	9.0
95.08588	66.7
96.08908	1.7
97.06527	7.7
97.10154	3.2
99.08076	26.8
103.05393	2.2
105.07017	51.6
106.07315	1.8
107.08573	64.3
109.02874	3.0
109.06490	7.9
109.10135	36.9
110.10494	3.0
111.02597	1.7
111.04444	2.1
111.08047	8.1
115.05412	3.8
116.24084	2.0
117.06998	8.0
119.08564	76.1
120.08920	3.9
121.06485	13.8
121.10123	36.0
123.08052	13.9
123.11693	11.5
125.09570	4.7
127.07519	4.2
128.06218	3.2
128.10579	1.9
129.06972	7.3
130.07848	2.0
131.07642	3.5
131.08546	40.2
133.10106	40.2
135.08026	11.7
135.11671	20.2
137.05966	4.7
137.09631	9.7
137.13242	3.3
140.10677	2.7
141.07027	2.1
141.25882	2.0
142.07747	6.4
143.08540	21.4
144.09209	4.2
145.10104	52.2
147.08035	11.8
147.11668	27.6
149.09592	6.6
149.13197	18.1
151.07532	5.5
151.11133	2.4
155.08542	7.3
156.09319	4.1
157.10117	24.7
158.10876	3.2
159.08044	4.8
159.11671	37.3
161.09579	14.1
161.13237	26.7
163.11197	6.6
163.14749	12.5
167.08528	2.7
169.10123	10.1
170.10863	4.9
171.08061	2.5
171.11665	24.3
172.12141	2.4
173.09666	8.9
173.11816	2.2
173.13219	39.3
174.10246	1.9
174.13614	2.8
175.11134	5.4
175.14793	28.3
177.12753	5.0
177.16373	5.2
179.14282	5.0
181.10083	4.6
183.11700	13.5
184.12402	2.9
185.09464	2.4
185.13225	28.3
185.33156	2.1
187.11130	5.5
187.14783	53.9
188.15147	3.0
189.12703	14.5
189.16345	15.2
191.10500	2.1
191.14279	5.2
193.10158	2.3
195.11656	6.2
197.13266	10.2
199.11241	5.0
199.14815	25.9
201.12729	4.8
201.16341	35.6
202.16644	2.3
203.14368	8.5
203.17920	5.0
207.11745	3.1
207.13768	3.4
209.13228	4.7
211.14783	11.2
213.12769	2.8
213.16307	11.9
215.14281	34.3
215.17821	4.2
217.15845	4.9
219.17389	3.3
221.13269	4.0
221.15323	1.9
223.14818	4.9
225.16397	5.6
227.17992	8.0
229.15843	17.5
230.16220	2.1
233.15414	8.0
237.16460	3.1
239.17868	3.0
241.19391	5.6
243.17442	4.3
249.16316	3.8
251.17892	3.1
253.19524	6.7
255.17542	2.8
255.20914	3.4
263.17923	3.3
265.19598	2.2
269.18933	5.6
277.19373	2.5
295.20807	2.4
303.78900	2.1
319.24173	3.2
321.22150	3.3
336.81128	1.8
337.25037	4.3
363.26501	3.1
373.28879	5.1
381.31323	2.5
391.29913	23.4
409.12891	2.5
409.30988	100.0
410.31482	10.2
427.39615	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.7
55.05508	15.7
57.07058	4.1
65.03938	3.0
67.05498	29.2
69.03402	4.8
69.07056	16.9
70.07377	1.9
70.07693	10.5
75.15028	1.7
79.05470	20.4
81.03411	4.4
81.07037	34.4
82.54086	1.9
83.04953	7.0
83.08594	7.0
85.02890	2.9
85.06531	5.4
91.05465	32.2
93.06436	2.4
93.07029	45.1
95.04945	9.0
95.08588	66.7
96.08908	1.7
97.06527	7.7
97.10154	3.2
99.08076	26.8
103.05393	2.2
105.07017	51.6
106.07315	1.8
107.08573	64.3
109.02874	3.0
109.06490	7.9
109.10135	36.9
110.10494	3.0
111.02597	1.7
111.04444	2.1
111.08047	8.1
115.05412	3.8
116.24084	2.0
117.06998	8.0
119.08564	76.1
120.08920	3.9
121.06485	13.8
121.10123	36.0
123.08052	13.9
123.11693	11.5
125.09570	4.7
127.07519	4.2
128.06218	3.2
128.10579	1.9
129.06972	7.3
130.07848	2.0
131.07642	3.5
131.08546	40.2
133.10106	40.2
135.08026	11.7
135.11671	20.2
137.05966	4.7
137.09631	9.7
137.13242	3.3
140.10677	2.7
141.07027	2.1
141.25882	2.0
142.07747	6.4
143.08540	21.4
144.09209	4.2
145.10104	52.2
147.08035	11.8
147.11668	27.6
149.09592	6.6
149.13197	18.1
151.07532	5.5
151.11133	2.4
155.08542	7.3
156.09319	4.1
157.10117	24.7
158.10876	3.2
159.08044	4.8
159.11671	37.3
161.09579	14.1
161.13237	26.7
163.11197	6.6
163.14749	12.5
167.08528	2.7
169.10123	10.1
170.10863	4.9
171.08061	2.5
171.11665	24.3
172.12141	2.4
173.09666	8.9
173.11816	2.2
173.13219	39.3
174.10246	1.9
174.13614	2.8
175.11134	5.4
175.14793	28.3
177.12753	5.0
177.16373	5.2
179.14282	5.0
181.10083	4.6
183.11700	13.5
184.12402	2.9
185.09464	2.4
185.13225	28.3
185.33156	2.1
187.11130	5.5
187.14783	53.9
188.15147	3.0
189.12703	14.5
189.16345	15.2
191.10500	2.1
191.14279	5.2
193.10158	2.3
195.11656	6.2
197.13266	10.2
199.11241	5.0
199.14815	25.9
201.12729	4.8
201.16341	35.6
202.16644	2.3
203.14368	8.5
203.17920	5.0
207.11745	3.1
207.13768	3.4
209.13228	4.7
211.14783	11.2
213.12769	2.8
213.16307	11.9
215.14281	34.3
215.17821	4.2
217.15845	4.9
219.17389	3.3
221.13269	4.0
221.15323	1.9
223.14818	4.9
225.16397	5.6
227.17992	8.0
229.15843	17.5
230.16220	2.1
233.15414	8.0
237.16460	3.1
239.17868	3.0
241.19391	5.6
243.17442	4.3
249.16316	3.8
251.17892	3.1
253.19524	6.7
255.17542	2.8
255.20914	3.4
263.17923	3.3
265.19598	2.2
269.18933	5.6
277.19373	2.5
295.20807	2.4
303.78900	2.1
319.24173	3.2
321.22150	3.3
336.81128	1.8
337.25037	4.3
363.26501	3.1
373.28879	5.1
381.31323	2.5
391.29913	23.4
409.12891	2.5
409.30988	100.0
410.31482	10.2
427.39615	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35548	1.0
53.03916	3.2
55.05505	32.1
57.07067	7.2
63.37173	0.9
65.03903	2.4
67.05501	20.7
69.07058	27.6
69.59760	9.9
71.08600	2.0
79.05087	1.2
79.05479	15.9
80.05838	1.3
81.03404	1.3
81.07044	40.3
82.07348	2.0
83.08609	73.9
91.05465	19.1
93.07031	38.6
95.04942	3.1
95.08590	57.7
96.08912	2.2
97.06477	2.3
97.10136	3.5
99.08085	1.2
103.05426	2.0
105.07014	46.2
106.07338	1.5
107.08577	81.7
107.79575	1.3
108.08868	3.1
109.06464	3.3
109.09433	2.1
109.10142	39.9
110.10461	1.6
111.08018	2.4
115.05392	1.2
117.07002	8.2
119.08564	100.0
120.08849	3.9
121.10126	60.5
122.10434	2.1
123.07999	1.9
123.11690	14.8
125.05949	2.0
125.09607	2.4
128.06143	1.2
129.06979	5.4
131.08545	36.1
132.08846	1.9
133.10110	45.0
134.10393	1.9
134.55096	1.0
135.07971	1.6
135.11676	30.7
137.13231	6.3
139.07466	2.1
142.07680	3.4
143.08554	11.3
144.09294	2.5
145.10106	44.2
146.10498	1.9
147.10591	1.7
147.11673	29.1
149.13232	15.1
151.07457	3.7
151.14783	2.4
153.09090	6.2
155.08499	3.9
156.09299	2.5
157.10103	16.8
158.10764	2.0
159.07990	1.5
159.10388	2.4
159.11673	40.0
160.12132	2.4
161.13234	19.8
163.07532	7.5
163.11090	1.7
163.13567	1.5
163.14796	22.1
165.12669	3.2
167.08492	1.7
169.10100	5.6
170.10857	2.6
171.11678	14.5
172.12422	2.5
173.13237	24.3
174.13570	1.6
175.14801	46.0
176.15094	1.9
177.09088	1.2
177.14932	1.7
177.16362	28.4
178.16664	1.9
179.10658	1.8
181.10062	1.8
181.12128	2.7
183.11720	6.2
185.13240	16.4
186.13567	1.8
187.14792	43.3
188.15179	3.3
189.16371	24.8
190.16505	1.5
191.17830	4.4
195.11601	3.1
197.13283	6.1
199.14786	15.9
200.15111	1.3
201.16359	30.5
202.16705	1.4
203.17923	8.0
205.12146	2.4
205.15776	2.1
209.13277	2.5
209.15187	1.6
211.14813	5.9
213.16368	8.7
214.16904	1.4
215.14180	4.5
215.17886	6.0
217.19464	3.0
219.13657	3.1
219.17410	1.5
221.15236	2.3
223.14691	4.4
223.16837	3.3
224.15300	1.3
225.16252	4.5
227.17923	7.1
229.19342	3.8
231.13651	2.1
231.20876	1.2
233.15379	5.9
237.16243	3.6
239.17813	4.0
241.19510	11.4
243.20865	1.4
245.15239	5.4
247.16910	2.6
251.17880	3.6
253.19339	4.7
255.21008	5.3
256.21744	2.5
257.15381	1.7
257.22473	2.8
259.16711	2.5
265.19379	3.5
267.20966	3.6
269.22528	2.5
273.18262	2.6
279.21069	3.0
281.22464	2.4
283.16727	2.1
284.33228	1.4
285.18262	3.5
287.19873	2.1
293.22464	3.3
299.20059	2.3
307.24210	6.2
311.19574	1.4
321.25650	3.1
325.21393	4.0
327.23181	5.2
339.22958	3.2
340.23550	1.4
353.24374	5.6
363.30453	14.9
364.30630	1.3
367.26178	1.6
391.33566	2.7
409.30627	65.7
410.30948	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	100.0
69.07044	17.8
69.91711	7.8
71.08632	61.5
71.49753	16.3
81.07011	22.6
82.07373	11.0
83.08589	13.8
85.10144	44.5
91.05412	11.9
93.07024	20.2
95.08577	27.1
105.07029	20.9
107.08614	19.6
109.10119	13.8
119.08540	17.0
121.10134	11.7
131.08522	9.1
133.10118	10.2
145.10002	12.3
147.11600	9.5
149.09581	10.2
151.07593	47.9
163.07443	16.8
165.09064	35.3
177.09061	36.4
179.10684	18.7
191.10628	13.9
203.17857	9.8
215.17860	15.9
300.14502	10.1
391.34286	9.5
409.34418	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	409.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28858	1.3
53.03942	1.7
55.05502	10.6
56.24929	1.2
57.07062	2.0
60.04431	1.5
67.05491	18.3
69.07072	15.0
79.05483	15.8
81.07047	34.8
83.04941	1.8
83.08596	8.9
85.06532	1.9
91.05466	16.0
93.07037	32.8
93.07590	3.0
94.07383	1.7
95.04942	3.0
95.08589	42.6
97.10154	3.0
105.07015	26.3
107.08577	47.2
109.06496	2.8
109.10143	25.4
111.08069	2.7
111.11678	2.0
115.05447	1.8
117.07008	5.0
119.08559	31.7
121.10130	31.4
123.08064	2.4
123.11684	7.8
125.09600	2.1
129.06981	3.5
131.08577	11.8
133.10101	22.1
135.11674	22.8
137.13258	6.9
143.08556	11.0
144.09293	2.3
145.10104	19.7
147.11676	21.9
149.13240	34.5
151.14806	1.7
155.08562	3.5
157.10101	8.9
159.11687	21.1
161.13240	11.2
163.14796	29.5
169.10242	3.0
171.11673	9.6
173.13257	12.3
175.14780	13.5
177.12579	1.5
177.16364	11.4
179.14272	1.6
183.11670	3.6
185.13222	9.2
187.14793	21.2
189.16368	14.1
191.18002	3.9
197.13229	3.8
199.14857	5.0
201.16385	11.2
203.17911	11.8
205.15878	3.5
211.14903	2.5
213.16457	8.2
215.17960	13.9
217.19478	1.8
219.17352	2.3
225.16359	3.2
227.17973	6.4
229.19542	11.4
239.17891	2.3
241.19513	9.0
243.21001	5.4
253.19487	3.7
255.21062	17.9
257.22656	4.5
259.20615	1.9
267.21048	2.7
269.22626	9.1
285.22073	7.9
295.24274	3.0
313.25204	2.8
370.01773	1.5
391.33432	11.6
409.34695	100.0
410.34949	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	409.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12350	1.8
53.03910	3.1
55.05501	15.6
56.99290	2.2
57.07060	4.9
59.73968	2.3
67.05499	28.1
69.07062	20.6
69.46452	22.1
71.08624	1.9
79.05484	18.8
81.07038	47.2
83.04973	2.3
83.08599	15.5
91.05450	15.3
93.07031	38.0
95.04971	3.5
95.08586	70.9
97.06505	2.7
97.10163	8.2
105.07013	34.0
107.08571	63.2
109.06537	2.8
109.10146	46.8
111.08118	2.9
117.07048	3.9
119.08566	48.4
121.10126	44.4
123.11681	18.8
128.06236	2.2
129.06998	5.1
131.08549	15.6
133.10126	26.1
135.08075	4.0
135.11664	30.2
137.13287	4.9
138.09050	2.2
141.06955	2.2
143.08551	13.0
145.10115	25.3
146.10522	2.3
147.11691	20.7
149.13229	27.3
151.14780	1.9
155.08621	3.2
157.10114	17.4
159.11644	26.6
161.13222	16.6
163.11212	6.3
163.14771	17.3
165.12843	2.3
169.10152	3.4
171.11664	13.0
172.12204	2.0
173.13225	16.1
175.14816	21.6
177.16348	25.0
183.11719	5.8
185.13264	10.5
187.14807	26.4
189.12711	2.6
189.16339	17.2
191.18022	6.9
197.13322	6.2
199.14781	9.5
201.16370	17.1
202.16599	2.1
203.14413	2.4
203.17924	28.0
205.15901	20.0
209.13274	2.2
211.14876	4.9
213.16290	21.0
215.17914	12.3
217.19537	2.8
219.17540	5.8
223.14828	3.4
225.16391	3.0
227.17984	6.0
229.19594	5.7
231.17531	6.7
231.21115	5.5
237.16229	2.6
239.18066	2.5
241.19606	8.1
243.21077	5.2
253.19540	4.4
255.21040	11.0
257.22641	2.6
259.20541	3.5
267.21060	4.7
269.22632	4.6
285.22198	2.3
291.87125	3.0
295.24274	4.4
313.25366	4.7
391.33496	31.4
391.37741	2.7
409.34778	100.0
410.35120	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74027	1.7
53.03908	1.9
55.05494	9.7
57.07059	2.7
64.76098	1.7
65.03934	2.0
67.05494	22.3
69.07059	13.5
69.46351	18.4
74.79827	1.8
79.05473	23.5
79.69784	1.5
80.59542	1.6
81.07050	29.2
83.04984	2.1
83.08603	9.6
91.05460	12.5
93.07030	34.6
95.04955	2.7
95.08591	83.1
96.50500	1.8
97.06515	1.9
97.10153	5.5
105.07014	23.9
107.04913	3.1
107.08574	100.0
109.06484	3.4
109.10152	38.4
117.07023	3.3
119.08562	37.6
120.08876	2.3
121.10131	47.9
123.08030	3.2
123.11714	12.2
127.37120	1.7
129.06935	2.2
129.90727	1.6
131.08542	8.3
133.10115	27.3
135.08073	4.9
135.11685	20.5
137.09535	2.4
137.13219	5.5
141.43590	1.7
143.08537	3.6
145.10086	21.9
147.11658	21.9
149.13217	26.1
157.10109	6.4
158.10962	2.0
159.11656	13.9
161.13275	14.9
163.11147	10.0
163.14772	15.8
169.10170	2.3
171.11696	3.0
173.13300	8.9
175.11169	2.5
175.14801	26.2
177.12784	3.1
177.16359	36.2
185.13263	5.2
187.14769	21.3
189.16379	16.5
191.17854	10.6
199.14876	5.1
201.16393	11.5
203.14354	2.8
203.17915	38.8
205.15852	68.7
206.16223	3.1
213.16335	4.4
215.17909	8.5
217.15785	2.3
217.19435	3.5
219.17427	6.4
225.16246	2.2
225.62440	2.0
227.17853	2.2
229.19489	3.0
231.17395	2.7
231.21005	2.4
233.19199	1.9
239.17908	2.1
241.19566	4.4
243.21118	3.1
245.18874	2.2
247.20137	1.8
255.21021	4.8
259.20572	2.1
271.13025	1.8
281.22336	1.8
285.22620	3.0
285.25745	11.4
295.24097	17.2
313.25195	18.3
323.84497	2.0
335.27051	2.1
339.26730	4.9
357.94354	1.7
374.74313	2.0
381.34967	2.6
391.33392	10.9
392.33804	2.0
409.34512	52.6
410.34836	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	409.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	9.4
57.07058	3.9
59.05863	1.3
62.83649	1.0
64.21725	1.0
67.05489	17.3
69.07058	15.5
69.38853	1.1
70.07288	5.3
71.05008	1.8
79.05479	12.0
81.07046	39.3
82.76087	1.0
83.04949	2.2
83.08604	7.1
85.06550	1.1
91.05455	12.3
93.06443	1.5
93.07030	34.0
95.04954	5.6
95.08591	42.7
97.06539	3.1
97.10129	3.0
99.93918	0.9
105.03334	0.9
105.07011	31.0
107.08578	46.2
109.06531	2.2
109.10147	23.6
111.08077	1.9
111.11690	1.5
117.07012	4.4
119.08564	30.1
120.08928	1.0
121.06485	1.6
121.09259	1.8
121.10125	31.6
122.10457	1.7
123.08096	2.3
123.11670	8.1
129.07021	3.2
131.08553	9.3
133.06361	1.0
133.09172	1.8
133.10117	21.5
134.10435	1.0
135.08032	2.3
135.11676	18.6
137.09598	2.8
137.13254	9.2
141.06970	1.2
142.07787	1.8
143.08482	6.6
145.10101	16.8
146.06055	1.0
146.89099	1.0
147.08002	1.8
147.11676	22.7
149.09621	2.2
149.13235	39.2
150.13591	1.1
151.07527	1.4
151.11157	1.2
151.14778	1.4
153.12737	1.4
155.08530	2.3
155.24115	1.0
157.10120	9.3
159.11662	14.4
161.13263	10.0
163.11157	1.6
163.14799	43.1
165.09145	1.9
165.12737	1.6
167.14191	1.3
169.10176	2.3
171.11678	9.3
173.11844	1.7
173.13229	11.6
175.11185	2.9
175.14781	14.4
177.12747	1.2
177.16347	15.9
179.14284	1.7
183.11687	2.7
184.12462	1.3
185.13251	8.1
187.14792	12.2
189.16356	14.5
191.17891	4.7
197.13240	2.0
199.14813	4.2
201.16316	7.9
203.14297	2.7
203.17944	19.3
205.15854	6.9
206.08195	1.7
207.17462	1.2
209.13226	1.1
211.14867	2.4
213.16377	9.4
214.16959	1.4
215.17921	16.1
217.19470	3.4
219.17413	2.0
221.15396	4.4
225.16492	1.8
226.17067	2.0
227.17923	6.4
228.18689	1.2
229.19499	9.0
231.21040	1.2
239.18082	1.6
241.19440	13.0
243.21060	7.4
253.19562	3.1
255.21037	22.7
257.22708	5.9
259.20615	4.3
267.21097	3.0
269.22565	10.8
285.22113	18.5
286.61774	1.3
295.24240	3.4
307.24246	1.1
309.04788	0.9
321.25623	1.2
359.24460	1.1
391.33499	13.8
398.55261	1.1
409.34622	100.0
410.35056	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.1
55.05506	4.3
57.07054	2.5
61.51487	0.7
65.03912	1.0
66.04430	0.7
67.05484	7.4
67.70310	0.6
68.34352	0.6
69.07055	13.4
69.64050	5.2
71.08606	1.0
79.05482	8.5
81.07043	30.4
83.08591	4.8
85.06525	0.7
91.05463	7.0
93.07027	23.0
95.04936	1.9
95.08587	31.2
96.08897	0.9
97.06515	1.0
97.10154	2.1
105.06328	1.2
105.07010	18.8
107.08575	35.3
108.08895	1.0
109.06493	1.1
109.10133	15.3
111.08061	1.2
113.00007	4.2
117.07003	2.2
117.08033	0.5
119.08556	20.2
120.08981	0.8
121.10123	24.5
123.11687	6.8
125.09606	0.8
129.06992	2.2
130.56537	0.6
131.08536	7.7
132.08955	0.7
133.10098	17.5
135.08028	0.6
135.11665	15.7
137.13234	8.6
139.25409	0.6
143.08521	6.5
145.10098	14.4
146.10489	0.7
147.11662	23.2
148.12015	0.8
149.13229	38.0
150.13582	0.7
151.14792	1.2
153.12732	1.0
155.08534	0.9
156.09299	1.4
157.10149	6.4
158.10794	0.9
159.11667	11.1
159.28568	0.6
160.12427	0.7
161.13228	7.6
163.14789	45.7
169.02615	2.1
169.10109	1.3
170.02925	0.9
171.03053	2.1
171.11649	7.2
172.12387	0.8
173.13220	9.1
175.14778	9.3
177.16357	10.1
179.14351	1.4
183.11707	2.0
184.12448	0.7
185.13196	6.2
186.13739	1.0
187.14781	11.0
189.16351	11.6
191.17957	1.9
193.15839	0.7
197.13275	1.7
199.14790	6.1
199.63707	0.7
200.01811	0.6
201.16348	9.3
203.14194	0.7
203.16399	0.4
203.17926	15.0
205.15852	2.3
207.17465	1.5
211.14767	1.8
213.16328	6.8
215.17917	17.0
217.19588	1.7
219.17502	1.0
225.16402	1.2
226.17215	1.4
227.17892	8.5
228.18709	2.0
229.19478	11.0
231.17513	0.9
231.21060	2.3
237.16367	0.7
239.17908	1.5
241.19484	11.6
242.20178	1.3
243.21045	8.0
253.19473	3.4
255.21028	24.5
256.21500	1.1
257.22565	6.2
259.20535	5.4
267.21106	3.4
269.22589	15.3
271.24274	0.7
285.22110	18.9
295.24182	3.3
297.25635	0.8
307.24173	0.7
347.48636	0.7
367.29669	0.8
391.33560	11.4
409.34589	100.0
410.34943	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	409.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05504	7.4
57.03413	0.8
57.07067	1.9
67.05488	10.2
69.07054	13.5
71.05025	1.2
71.08618	0.8
79.05478	10.4
81.07047	35.7
83.08600	5.8
84.78253	0.7
91.05457	8.1
93.07031	26.5
95.04980	1.2
95.08593	33.0
97.06509	2.3
97.10140	1.6
103.05482	1.1
105.07014	19.8
106.07339	0.9
107.08575	36.3
108.08900	1.0
109.06496	1.5
109.10149	18.5
111.08043	2.1
111.11710	1.4
113.26849	0.8
116.36687	0.8
116.88043	0.8
117.07016	3.7
119.08566	22.6
121.09260	1.2
121.10128	24.2
123.08031	1.3
123.11709	8.3
129.06999	2.8
131.08560	8.5
133.10115	19.9
135.11674	16.8
136.12054	1.1
137.13240	8.4
141.06874	1.2
142.07796	0.9
143.08553	7.3
144.09377	1.4
145.10117	16.3
147.11661	23.7
149.13242	33.0
149.14456	1.6
150.13597	1.0
151.14862	1.1
155.08549	1.5
156.09300	1.3
157.10114	8.8
158.10843	1.0
159.11664	12.1
161.13246	9.6
163.14799	46.5
164.15182	0.9
167.14296	1.0
169.10130	2.1
170.10979	1.2
171.11681	7.3
173.13231	10.9
175.14798	8.3
177.16382	9.4
179.14313	1.9
183.11699	1.9
184.12573	1.1
185.13268	7.3
187.14786	9.3
189.16367	13.4
191.18011	1.8
197.13313	2.1
199.14799	6.6
200.15456	1.0
201.16371	10.0
203.17928	12.8
205.12254	0.8
205.15819	1.5
207.17442	1.1
211.14847	2.1
213.16341	7.7
214.17212	1.0
215.17944	15.2
217.15776	1.0
217.19547	1.7
221.15518	1.1
225.16412	2.3
226.17111	1.6
227.17896	8.9
228.18707	2.7
229.19501	10.6
231.17389	1.4
231.21046	1.9
239.18077	1.1
241.19478	11.9
242.20235	1.7
243.21054	6.8
252.38948	0.8
253.19507	2.3
255.21063	25.3
256.21375	1.4
257.22610	5.3
259.20538	5.5
267.21039	3.4
269.22614	15.6
269.25421	1.1
281.22519	1.5
285.22107	20.5
286.22443	1.1
295.24283	2.9
307.24429	1.5
349.28867	1.3
391.28677	1.0
391.33566	12.2
409.34662	100.0
410.35059	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	409.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	7.4
57.02485	1.6
57.07062	1.7
65.14616	1.5
67.05486	15.1
69.07053	17.1
70.82775	1.6
79.05477	12.6
81.07050	35.0
83.08605	5.7
91.05455	12.2
93.07028	26.4
95.08587	48.1
97.10113	4.1
105.07020	27.1
107.08577	41.9
109.10133	26.2
109.37215	1.7
111.08068	1.5
111.11725	1.9
117.07011	5.5
119.08566	34.0
121.10136	29.8
123.08044	2.6
123.11677	10.6
129.06964	3.2
130.07813	2.6
131.08545	14.6
133.10117	21.2
135.08072	2.1
135.11691	20.3
137.13232	5.5
137.58899	1.8
143.08577	7.9
145.10109	21.0
147.11667	17.1
149.13239	25.4
157.10136	10.7
159.11678	22.2
161.13258	14.6
163.14787	29.6
163.16011	2.5
171.11668	7.0
173.03389	1.7
173.13229	14.6
175.14813	14.0
177.16368	18.6
179.14352	3.1
183.11702	2.3
185.13283	7.7
187.14771	15.9
189.16345	13.5
191.17885	8.7
199.14816	5.2
201.16344	11.2
203.17897	14.0
205.15913	4.6
205.19484	1.7
210.07433	1.9
211.14842	2.3
213.16394	12.8
215.17926	17.4
217.19603	3.8
219.17421	6.5
227.17937	7.0
229.19470	14.3
231.17479	4.6
231.21098	5.5
241.19516	7.8
243.21037	9.7
253.19479	3.1
255.21086	20.5
257.19135	1.7
257.22339	3.6
259.20459	2.1
267.21082	6.2
269.22681	8.6
281.22620	3.8
285.22220	5.4
290.17676	1.6
295.24219	4.6
335.27441	2.4
391.33521	31.5
409.34647	100.0
410.34912	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	409.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66541	1.3
53.03928	3.1
55.05500	9.9
57.07062	2.6
67.05498	21.5
69.07057	17.6
70.10374	1.1
70.83370	4.6
79.05482	26.5
81.07043	31.0
81.86153	1.2
83.08617	12.8
91.05470	14.2
93.07031	34.0
95.08592	76.6
96.08910	2.4
97.10152	1.9
105.07013	27.2
107.08576	100.0
109.10139	41.1
111.08096	1.5
117.07032	3.9
119.08565	40.4
119.41855	1.4
121.10126	56.3
123.08039	1.8
123.11697	10.6
131.08539	11.7
133.10106	33.4
135.08040	8.3
135.11671	22.6
137.09596	2.8
137.13242	4.7
143.08603	2.8
144.09288	1.9
145.10109	19.3
147.11659	18.2
149.09607	2.4
149.13246	22.1
151.14755	2.0
155.08528	1.5
155.71675	1.6
157.10141	3.4
158.10768	1.8
159.11665	14.7
161.13220	12.2
163.11140	12.0
163.14801	15.5
171.11690	4.5
173.13197	8.3
175.11169	2.6
175.14803	33.2
177.12715	4.2
177.16364	51.3
183.11662	2.2
185.13223	3.8
187.14822	24.1
188.15167	2.1
189.12857	1.5
189.16330	14.8
191.17896	7.9
197.13225	1.6
199.14838	3.7
201.16367	8.7
203.14313	3.3
203.17932	45.1
205.15857	84.7
206.16321	1.6
207.17349	1.6
213.16370	4.1
215.17969	8.6
217.15956	1.5
217.19498	2.0
219.17506	3.8
225.16289	3.0
227.17964	3.2
229.19557	2.3
231.17357	2.1
241.19543	2.7
245.19038	1.7
251.84749	1.4
253.19525	2.2
255.21082	3.8
285.25693	8.8
295.24191	16.5
313.25229	13.9
321.25967	1.6
339.26791	4.6
349.29065	1.8
391.33545	5.7
395.27914	1.8
409.34784	35.8
410.35049	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30391	1.6
55.05504	9.5
55.83450	1.7
56.17858	1.4
57.07042	2.1
65.45392	1.5
67.05489	19.5
69.07061	23.5
70.83270	2.6
70.83653	3.4
79.05476	13.7
81.07042	41.6
83.08609	8.7
90.46046	1.7
91.05462	15.1
93.07027	31.9
95.08590	71.4
97.10146	5.9
105.07016	30.3
107.08578	67.6
109.06493	3.0
109.10136	38.4
117.06979	5.4
119.08559	35.3
121.10126	62.2
123.11672	14.5
131.08507	6.0
133.10097	36.2
135.08008	4.9
135.11682	21.3
137.13216	4.1
139.49854	1.6
143.08549	2.9
145.10103	19.6
147.11656	22.7
149.13223	42.6
149.14436	2.1
151.14830	2.9
157.10060	1.9
159.11668	9.7
161.09634	2.5
161.13237	14.3
163.11179	18.7
163.14792	31.6
171.11673	2.3
173.13211	5.4
175.11205	3.2
175.14796	28.6
177.12761	5.9
177.16365	44.6
178.16682	2.1
185.13200	3.8
187.14784	19.7
189.16339	21.4
191.17928	12.4
201.16342	10.8
203.17920	100.0
204.18216	2.8
205.15852	57.9
205.19481	3.7
206.16124	2.0
213.16617	1.8
215.17862	3.6
217.19479	3.0
219.17416	7.1
231.17424	5.1
233.19041	2.6
241.19579	2.1
255.21194	3.1
391.33453	8.5
409.34589	72.4
410.34958	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11107	2.0
53.03913	2.7
55.05508	9.7
57.07070	4.2
67.05500	14.4
69.07067	19.5
70.14285	7.3
70.14703	5.0
79.05492	13.1
81.07042	32.7
83.04949	2.0
83.08617	10.9
85.15647	2.1
91.05464	15.6
91.15570	2.0
93.07037	29.9
95.04939	3.9
95.08598	49.3
97.10156	3.8
105.07018	30.9
107.07903	3.7
107.08582	43.5
109.10145	28.9
117.07000	7.1
119.08580	37.8
121.10125	38.2
123.08055	2.5
123.11697	13.4
129.06981	3.8
130.07822	2.0
131.08571	15.2
133.10118	30.7
135.08028	3.2
135.11668	21.1
137.13277	5.0
139.11177	4.2
143.08537	11.5
145.10117	25.4
147.11678	25.8
149.13240	20.7
151.11150	2.9
153.12704	2.3
156.09358	3.7
157.10069	12.5
158.10857	2.4
159.11697	25.1
161.09566	2.2
161.13258	15.3
163.11168	3.9
163.14801	20.7
165.09010	2.0
165.12663	2.7
169.10127	4.0
171.11696	15.0
173.13249	15.1
175.14828	15.7
177.16389	13.4
179.14377	4.2
181.15810	3.9
183.11726	7.1
185.13245	17.8
187.14804	21.6
189.16385	23.1
191.17975	7.8
197.13225	7.9
198.14059	2.3
199.14717	11.1
201.16354	21.7
203.17909	15.0
205.15906	9.0
207.17404	3.7
211.14816	6.0
212.15576	5.3
212.66626	2.5
213.16315	11.7
215.17981	12.6
217.19519	4.1
219.17554	4.9
221.15338	4.3
225.16420	5.2
226.17070	3.9
227.17929	12.3
229.19511	13.0
239.17909	4.5
241.19492	93.8
242.19810	3.1
243.21042	6.9
253.19527	7.6
255.20996	9.4
257.22635	5.5
267.21198	4.5
269.22736	9.7
285.22006	2.3
295.24045	3.0
313.25330	2.9
349.28891	3.5
391.33490	23.8
409.34647	100.0
410.34985	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	409.3821
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
51.18018	2.6
53.03917	3.3
55.05504	20.4
57.07064	14.1
57.78746	2.6
61.27622	2.8
67.05493	30.7
69.06692	3.6
69.07059	71.2
71.08619	4.2
71.44623	3.6
71.44952	3.0
76.01038	2.8
78.64630	2.7
79.05463	17.1
81.07050	88.6
83.08615	31.9
91.05456	11.7
93.07039	33.7
95.08591	100.0
97.10146	11.2
99.67570	3.1
105.07018	27.3
107.08582	53.5
109.10139	71.5
110.22831	2.4
111.11725	6.6
119.08562	36.2
121.10138	51.2
123.11696	38.0
131.08528	10.5
133.10107	29.9
134.74342	2.7
135.11673	37.8
137.13232	19.4
140.94000	2.6
143.08578	5.1
145.10104	20.1
146.68831	2.8
147.11655	29.4
149.13255	30.0
150.65237	3.2
151.14790	4.9
157.10121	4.2
159.11646	25.6
161.13181	24.0
163.14835	16.7
166.96486	2.6
169.22772	2.6
171.11581	4.0
173.13251	19.0
175.14757	17.1
177.16359	14.1
185.13351	3.0
185.30270	2.7
187.14774	15.4
189.16437	15.6
191.17889	9.1
199.14833	5.4
201.16356	11.6
203.17960	13.6
213.16316	5.9
215.17955	8.6
216.18597	2.8
217.19536	13.1
219.21141	3.6
227.17921	6.1
229.19470	7.4
231.21053	11.6
241.19498	4.7
243.21086	5.5
255.21004	5.3
257.22687	8.7
259.24118	6.3
271.24213	10.4
285.25717	7.4
299.27158	4.1
313.28848	3.8
325.28891	3.7
327.30493	6.1
353.31854	4.9
367.33499	3.0
409.38235	97.2
410.38651	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	409.3824
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
53.22837	2.6
54.44827	2.8
55.05499	16.9
57.07065	8.9
67.05498	29.4
69.07055	33.5
69.71415	23.6
71.08624	4.4
78.55256	2.6
79.05470	13.3
81.06610	4.4
81.07046	68.7
82.07386	2.7
83.08613	14.9
86.09629	2.9
89.05997	2.9
91.05455	10.6
93.07033	38.7
94.27385	3.3
95.08591	100.0
97.10136	10.0
105.07032	24.2
105.33403	3.2
107.08575	56.9
109.10146	75.4
111.11699	6.4
115.19523	3.1
119.08546	36.0
121.10125	51.2
123.08054	3.0
123.11684	42.3
131.08598	6.8
133.10100	27.7
135.11647	40.4
137.13231	19.7
145.10065	12.1
147.11655	25.8
149.13229	40.0
150.13617	2.7
151.14827	7.4
157.10126	3.4
159.11696	13.4
161.13249	19.9
163.14775	28.2
173.13252	12.3
175.14793	16.6
177.16367	12.5
185.13164	3.3
187.14745	7.9
189.16389	13.6
191.17944	32.7
201.16348	10.9
203.17973	23.0
205.19473	15.7
213.16434	4.9
215.17924	10.3
217.19519	16.3
219.17465	3.2
219.20969	3.9
223.00053	3.2
229.19386	4.9
231.20959	6.0
239.17809	3.6
241.19598	5.4
243.21088	7.0
245.22635	3.9
255.20944	4.3
257.22617	14.9
271.24103	9.8
285.25681	3.9
326.78540	3.5
326.82437	3.1
391.33530	9.3
392.33411	4.4
409.34180	16.7
409.38895	52.0
410.34497	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	410.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.6
55.01855	12.0
55.05504	19.2
57.03440	7.2
67.05494	41.4
69.03415	8.8
69.07045	13.3
70.06554	4.9
70.96024	9.9
70.96397	6.3
71.04974	20.6
71.44396	3.1
79.05484	25.9
81.03397	7.8
81.07047	60.6
82.07378	6.3
83.04981	16.1
83.08614	10.9
85.02904	20.6
85.06522	12.5
86.09671	3.6
87.04441	3.7
91.05468	16.7
93.07031	37.3
95.04949	6.9
95.08606	33.0
97.02871	8.5
97.06522	33.9
97.10157	13.1
99.04459	4.0
99.08081	3.7
105.07016	12.5
107.08584	26.0
109.02879	7.2
109.06524	4.7
109.10128	7.2
111.08055	4.2
111.38777	3.5
117.07011	7.1
119.08580	6.7
121.06531	5.8
121.10131	8.0
123.04390	8.6
123.08058	4.8
123.11689	4.9
125.09612	9.2
127.03886	5.4
131.08539	10.5
133.10114	13.2
135.08025	4.5
135.11673	22.1
147.11687	9.2
149.13263	24.2
159.10416	4.3
159.11667	23.0
162.07913	3.7
163.03876	11.9
165.12657	6.1
167.14310	16.9
169.10112	3.6
177.12712	25.5
195.13780	67.9
213.12823	7.0
213.14825	100.0
214.15199	5.9
215.14209	3.7
220.85838	3.3
231.15833	6.4
248.12804	8.0
328.49387	3.8
410.18738	7.9
411.15323	7.0
411.20288	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.2
56.05835	2.9
57.07062	5.6
58.07386	1.6
59.05000	1.6
67.05496	24.4
68.05830	5.1
69.07061	23.0
70.07399	5.6
71.04986	2.6
71.08617	2.0
71.44952	3.9
79.05484	18.3
80.05832	4.1
81.07048	42.8
82.07372	9.2
83.04975	3.2
83.08611	19.6
83.29313	1.2
84.08965	6.0
85.06575	1.5
91.05463	17.4
92.05815	5.0
93.07033	37.4
94.07370	11.4
95.04981	4.0
95.08596	75.9
96.05337	1.3
96.08929	24.7
96.09522	1.6
97.06519	2.1
97.10168	4.6
99.08096	2.3
103.07967	1.3
105.07028	33.5
106.07352	14.9
107.08582	57.4
108.08907	22.0
109.06564	1.5
109.10149	38.0
110.10463	15.8
111.08106	1.9
117.07040	6.1
118.07378	2.3
119.08563	45.6
120.08914	19.4
121.06514	5.0
121.10130	40.5
121.10949	2.5
122.10464	19.1
123.08088	2.4
123.11679	11.2
124.12058	4.3
125.09636	2.4
131.08559	15.2
131.21133	1.6
132.08893	6.9
133.10107	29.5
134.10451	14.3
135.08084	7.5
135.11670	20.6
136.08397	4.3
136.11996	10.3
137.09619	1.7
137.13284	5.1
138.13608	2.5
142.07802	1.5
143.08588	5.3
144.09004	3.1
145.10115	19.1
146.10431	13.4
147.11661	16.6
148.12038	10.2
149.13240	25.9
150.13562	16.0
157.10153	5.9
158.10587	2.9
159.11682	16.2
160.12015	12.1
161.09639	2.1
161.13274	13.6
162.13605	9.4
163.11172	10.3
163.14792	21.1
163.16034	1.8
164.11588	5.6
164.15140	15.7
164.16228	1.4
165.16356	2.2
169.10051	2.0
171.11725	5.5
172.12056	5.5
173.13261	10.5
174.13554	6.7
175.11243	2.5
175.14804	18.5
176.15117	13.0
177.12787	1.4
177.16380	17.5
177.17752	1.9
178.16693	14.1
183.11736	1.4
184.12117	2.3
185.13281	4.3
186.13753	4.3
187.14803	13.3
188.15123	12.9
189.16397	12.6
190.16695	11.2
191.17949	10.5
192.18370	5.4
197.13281	1.8
198.13676	1.9
199.14838	4.3
200.15234	4.0
201.16364	13.0
202.16713	10.2
203.14578	1.5
203.17960	32.9
204.15179	1.4
204.18275	36.9
205.15858	24.2
205.19366	1.5
206.16179	23.2
208.17894	2.5
211.14807	2.2
212.15283	1.5
213.16415	6.2
214.16864	5.2
215.17891	8.7
216.18239	11.3
217.16161	1.8
217.19597	2.5
218.16241	1.4
218.19850	3.7
219.17471	5.5
220.17830	4.6
223.14970	1.5
227.17989	3.7
228.18407	4.5
229.19489	2.4
230.19907	4.4
232.17911	3.6
241.19717	2.9
242.19965	5.2
243.21101	2.6
244.21494	3.1
246.19498	2.0
254.19867	2.8
255.21118	2.8
256.21442	6.7
268.21603	1.8
281.22534	1.5
340.27621	1.9
364.30966	2.8
382.35654	3.0
392.33908	15.2
410.35153	100.0
411.28091	2.1
411.35367	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1984
Annotation	diflorasone
Peak:m/z	Relative Intensity
55.05491	0.5
56.20615	0.5
69.03423	0.7
70.06580	0.7
70.96195	1.6
71.04979	0.7
73.04146	0.5
79.05464	0.9
81.03423	0.7
81.07043	0.9
84.08156	0.9
85.02896	1.3
93.07031	1.1
95.04951	1.0
95.08591	1.0
97.02886	0.8
97.06503	0.9
105.06995	0.9
107.08556	0.6
109.06499	0.8
119.01967	0.6
119.08591	0.6
121.10132	1.1
145.09973	0.6
147.04437	0.5
149.09604	0.7
156.13139	0.6
157.10098	0.6
161.02917	0.8
162.02945	0.8
163.03831	0.9
164.04526	0.5
176.04533	0.5
177.21553	0.5
180.04002	0.6
184.07381	1.0
184.10442	0.5
184.88083	0.5
188.04550	0.7
192.04041	2.3
196.03606	0.8
203.05321	1.1
231.13828	1.4
238.04652	1.8
252.06169	2.2
262.04553	1.0
280.05548	1.2
305.12372	1.6
309.15302	0.6
347.13287	3.4
351.13058	1.5
365.14624	1.4
393.13971	4.4
411.19846	100.0
412.20004	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2886
Annotation	Chabrolobenzoquinone G
Peak:m/z	Relative Intensity
53.03924	2.7
54.46970	0.7
55.05271	0.7
55.05504	8.0
57.07043	2.7
59.04977	0.8
65.03932	0.9
67.05183	1.0
67.05495	10.6
69.03352	1.0
69.07061	9.7
70.27845	0.7
70.99489	1.7
77.03960	0.7
79.05479	20.8
81.07046	28.7
83.04929	0.8
83.08599	3.3
85.06522	4.1
91.05464	28.3
93.07029	55.6
94.07369	1.3
95.04974	4.5
95.08590	30.1
97.06510	1.8
97.10132	0.9
99.08080	28.1
103.05392	0.7
105.07014	55.0
107.08575	68.7
108.08895	1.6
109.02878	0.7
109.06478	2.5
109.10144	11.1
111.07997	0.9
113.09623	0.9
115.05430	2.0
116.06178	1.6
117.07004	13.3
119.08562	52.0
121.06467	4.0
121.10135	17.6
123.08023	3.5
123.11671	4.3
125.09635	0.8
127.11129	0.7
128.06158	2.0
129.06984	8.9
129.07874	1.2
130.07748	3.7
131.08546	70.0
133.10112	33.3
133.11137	1.2
134.10410	1.0
135.08028	1.7
135.11676	10.0
135.55670	0.6
137.09564	1.7
141.06921	2.1
142.07730	5.2
143.08545	19.2
144.09334	10.0
145.10104	48.3
146.10481	0.9
147.08040	8.2
147.11658	47.8
149.09547	3.3
149.13235	28.3
150.13542	0.8
151.07513	0.8
153.06979	1.2
155.08507	7.3
156.09261	3.1
157.10101	25.7
158.10791	2.6
159.11671	86.5
160.11964	1.9
161.09595	13.7
161.13234	40.1
162.13548	0.9
163.03842	3.0
163.11093	4.0
163.14796	10.9
165.12744	3.6
167.08530	2.0
168.09236	1.2
169.10094	10.0
170.10870	1.6
171.11655	15.8
172.12279	1.1
173.09587	1.6
173.13234	30.6
174.13564	0.7
174.87906	0.7
175.11150	3.0
175.14786	13.3
177.12669	2.1
177.16313	2.7
179.08386	1.5
179.14310	5.1
181.10074	5.4
182.10802	2.9
183.11658	13.0
184.12354	1.0
185.13243	23.6
186.13896	1.4
187.11099	1.4
187.14807	27.7
189.12738	8.7
189.16446	4.3
191.14206	2.7
191.17897	2.6
193.10077	2.1
193.15915	1.1
194.10759	1.1
194.12444	0.7
195.11679	7.2
196.12180	0.9
197.13234	8.6
199.14789	21.5
200.15207	0.9
201.16357	76.3
202.16629	2.1
203.14267	5.6
203.17857	2.5
205.10036	0.8
205.15894	1.2
207.11766	3.7
207.13391	0.9
208.12384	1.3
209.13228	7.5
210.13913	1.7
211.14819	7.4
213.16348	5.8
213.68504	0.9
215.14220	2.7
215.17859	2.1
217.15865	12.1
219.17332	3.2
220.12410	0.9
221.13280	4.8
222.13989	1.2
223.14821	9.7
224.15373	1.2
225.16386	10.5
227.14139	0.9
227.17868	2.7
229.15858	3.8
231.13705	2.8
231.17311	1.3
235.14742	3.4
236.15437	1.2
237.16331	8.5
238.17021	1.4
239.17882	6.1
241.19450	2.3
245.15279	1.2
247.14746	1.3
247.16980	1.1
249.16254	2.5
250.17168	1.0
251.17964	9.8
252.18535	1.0
253.19473	4.4
255.17366	1.8
255.20848	0.9
262.16995	0.9
263.16010	2.0
263.18103	2.1
264.18585	0.8
265.19565	4.3
267.17502	0.8
267.20862	1.1
269.18854	2.3
271.20459	1.0
277.19479	13.6
278.20203	3.9
279.21017	1.9
281.22397	1.4
289.19418	0.7
291.20810	2.9
293.22586	34.6
294.22858	1.0
295.20441	2.5
303.20850	2.6
305.22699	0.9
307.24164	0.9
309.22147	1.0
319.24179	1.3
323.23645	1.8
337.21481	0.9
337.25226	3.2
347.27307	16.5
349.28763	1.4
357.25705	0.8
365.28345	73.8
366.28647	3.3
367.29709	3.0
375.26736	4.5
383.29590	0.9
393.27603	20.9
393.31427	1.9
411.28665	100.0
412.29025	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01886	1.4
55.05508	15.3
57.03448	2.8
57.07071	2.8
65.03944	2.1
67.05494	20.2
69.03424	3.7
69.07058	24.1
70.00226	4.7
70.00665	4.7
73.02932	1.5
78.10752	1.3
79.05478	24.3
79.11479	1.4
81.03426	4.1
81.07043	47.1
82.07389	1.5
83.05000	3.0
83.08628	7.0
84.91584	1.3
85.02907	3.3
85.06548	4.6
86.38613	1.5
87.04507	2.1
91.05458	27.7
91.05956	2.3
92.03425	1.5
93.07034	63.8
95.04946	7.6
95.08594	62.2
95.09187	3.7
96.08911	1.6
97.06558	3.8
97.10165	3.9
99.08083	14.7
103.05494	2.3
105.07016	83.5
107.08579	82.5
107.75174	1.6
109.02885	1.9
109.06548	6.7
109.10134	31.2
111.08085	5.2
113.09709	1.4
115.05441	3.4
117.07007	12.6
119.08569	93.5
121.06491	8.8
121.10125	43.4
121.10966	2.2
123.04466	1.9
123.08091	5.3
123.11681	9.3
125.06020	2.9
125.09634	4.0
128.06209	2.9
129.06955	8.6
130.07779	2.7
130.65572	1.6
131.08546	52.5
133.06470	2.0
133.10110	53.2
135.08084	5.9
135.11681	22.4
137.06023	3.1
137.09627	2.6
142.07805	4.7
143.08545	18.0
144.09315	4.6
145.10103	52.1
145.11205	2.6
147.08046	8.0
147.11667	48.9
149.09677	3.5
149.13240	72.9
150.13634	2.7
153.09142	2.4
155.08589	6.6
156.09369	4.4
157.10103	22.7
159.08159	2.8
159.11670	84.3
160.12114	2.9
161.09612	13.6
161.13229	100.0
162.13589	2.9
163.03931	4.9
163.11191	12.0
163.14792	27.1
165.12740	8.4
167.08597	1.9
168.09326	2.7
169.10072	9.3
170.10909	2.1
171.08136	1.6
171.11668	16.0
172.12473	2.7
173.13252	28.8
173.14600	2.6
174.13675	2.1
175.11336	3.4
175.14822	39.4
177.12772	5.5
177.16356	10.9
179.14285	9.4
181.10101	3.9
183.11662	11.2
185.06042	1.8
185.13237	23.5
187.14813	32.8
189.12750	8.7
189.16371	23.3
191.10600	2.1
191.14326	5.0
191.17932	18.0
193.10315	2.0
193.15776	1.8
195.11742	5.7
196.12459	1.9
197.13280	6.8
199.14772	21.0
201.16367	69.9
202.16658	2.0
203.14293	11.0
203.17928	14.3
205.12251	2.0
205.15927	4.3
207.11888	3.5
207.13901	6.6
209.13252	5.7
211.14870	6.9
213.16333	11.4
215.14412	5.2
215.17920	10.9
217.15820	8.8
219.17474	7.0
221.13326	3.3
221.15398	4.4
223.14841	7.0
225.16322	8.1
227.17932	4.3
229.15910	4.0
229.19582	4.6
231.13757	14.6
231.17537	3.6
233.15422	2.0
235.14920	2.2
237.16383	5.1
239.18008	6.2
241.15936	1.7
241.19559	6.0
243.17255	1.7
245.15321	2.5
247.16922	10.6
249.14862	5.8
251.17957	6.9
253.19539	3.6
255.17494	1.7
255.21080	7.2
261.14883	5.9
265.19516	4.2
266.19702	2.0
267.21201	2.3
277.19547	7.2
279.20883	1.7
281.22754	2.1
291.21136	2.6
293.22504	17.2
307.24213	4.9
323.23615	3.4
337.28812	2.7
347.27274	12.1
353.94397	1.7
365.28336	53.3
366.28510	2.9
367.29980	2.0
375.26489	2.1
375.30722	3.0
393.27246	14.3
393.31699	5.3
411.28857	79.2
411.33038	27.6
412.28882	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	21.0
56.30347	2.4
57.07061	5.9
67.05175	3.8
67.05490	34.0
69.07061	22.1
70.89688	7.6
71.04991	6.1
74.57902	2.3
79.05466	20.4
81.07037	74.7
82.07371	3.5
83.04953	3.9
83.08626	12.5
87.68217	2.2
88.26352	2.5
91.05473	23.4
93.07024	34.9
95.04945	4.6
95.08587	100.0
97.06490	10.3
97.10118	6.1
99.08037	7.8
105.06328	4.2
105.07006	56.1
106.07349	5.5
107.08575	38.6
109.06452	4.3
109.10126	27.4
111.08045	5.1
113.09608	2.4
117.06953	4.0
119.08554	53.1
121.10117	33.8
122.09629	6.2
123.08031	8.1
123.09961	3.0
123.11662	10.4
131.08492	6.5
133.10103	45.5
135.11653	28.2
137.13208	12.1
141.09088	3.6
145.10077	9.3
147.11671	23.4
149.13234	12.0
155.08543	2.6
159.11632	7.3
161.13229	77.4
163.11153	2.8
163.14790	10.3
165.12733	5.5
173.13214	5.5
175.14748	5.7
177.12646	3.2
177.16330	10.4
179.14273	41.6
187.14758	7.1
189.16360	53.2
191.17886	7.7
197.15216	6.7
199.14795	4.2
201.16266	5.5
203.17953	15.2
213.16476	2.8
215.17932	4.2
217.19427	4.7
229.19337	3.2
231.20883	4.8
234.71782	2.5
280.40344	2.6
355.85938	2.8
357.27612	4.3
368.14291	2.4
375.28772	3.5
393.34894	6.5
411.17596	2.7
411.31900	4.5
411.36340	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.05499	15.5
57.03426	1.7
57.07055	2.6
62.46276	1.8
64.35957	1.5
65.03921	2.9
67.05491	20.6
69.03405	3.7
69.07051	24.2
71.04970	3.0
71.70779	2.3
79.05474	25.5
81.07039	46.6
83.08594	10.5
85.02889	4.2
85.06541	4.4
87.80256	1.8
91.05468	32.7
93.07027	71.0
94.07334	2.4
95.04963	6.1
95.08585	61.3
97.06499	3.8
97.10155	3.9
99.08076	17.5
105.07008	98.9
106.07348	3.7
107.08572	89.2
107.64642	1.7
108.08914	4.2
109.06493	7.6
109.10130	32.6
111.04386	3.0
111.11709	2.0
113.06046	1.8
115.05472	2.3
117.07000	14.0
119.08559	99.6
120.08934	5.0
121.06490	10.3
121.10116	46.5
123.08028	6.9
123.11695	6.7
124.90655	1.6
125.09640	3.3
128.06169	3.9
129.07027	11.3
130.07748	2.6
131.08537	52.4
132.08960	1.9
133.06549	1.9
133.10103	56.0
135.08032	6.3
135.11673	22.0
137.05960	2.7
137.09602	5.2
137.13289	2.9
139.11061	2.0
141.06932	2.3
142.07759	5.6
143.08540	17.2
144.09265	8.6
145.06528	1.9
145.10107	58.1
147.08028	7.2
147.11653	62.6
149.09608	5.1
149.13231	69.6
150.13571	4.9
151.07504	3.1
154.07649	2.1
155.08487	6.2
156.09291	2.6
157.10107	28.6
159.08067	1.8
159.10350	4.2
159.11665	78.9
160.12038	5.4
161.09590	16.4
161.13226	96.5
162.13528	4.2
163.03825	3.0
163.11179	11.6
163.14767	25.2
165.12764	9.1
167.08495	2.1
169.10117	7.8
170.10771	2.3
171.11658	16.0
172.12297	2.3
173.13237	40.5
175.11194	4.5
175.14793	39.2
176.15100	3.2
177.09132	2.5
177.12703	6.2
177.16374	10.1
179.10634	2.6
179.14246	5.8
179.44061	1.7
181.10107	7.4
183.11659	11.1
185.13240	25.4
186.13605	2.2
187.14786	32.0
188.15099	2.6
189.12759	10.6
189.16344	22.4
191.14218	4.9
191.17886	17.5
193.15932	3.2
195.11627	5.8
197.13243	8.1
197.50940	1.9
199.14775	20.7
201.12653	3.0
201.16345	87.8
202.16730	3.9
203.14310	11.4
203.17899	16.7
205.15923	3.6
207.11783	3.8
207.13776	7.7
209.13269	8.4
211.14763	8.5
213.16350	9.9
215.14267	5.1
215.17914	9.5
217.15794	10.6
218.16225	1.8
219.17366	5.4
221.13287	3.8
221.15324	6.1
223.14792	5.9
225.16360	7.6
227.17934	6.0
229.15833	4.8
229.19405	5.3
231.13826	12.4
233.15408	1.9
235.14748	3.1
237.16443	6.2
239.17905	6.5
241.19487	6.3
243.17390	2.5
245.15257	2.8
247.16814	10.7
249.14545	9.2
251.17903	7.8
253.19456	4.5
255.17345	1.9
255.21010	4.9
261.14862	6.1
263.16119	3.9
265.19589	3.0
267.20892	3.1
277.19458	9.6
278.20264	2.4
279.21140	3.8
283.20688	1.6
291.21005	1.9
293.22577	18.4
294.22974	3.9
303.20789	2.3
307.24277	3.3
321.25809	1.9
337.25214	3.6
338.71170	2.0
347.27219	16.4
365.28317	56.8
366.28787	6.6
375.26575	3.2
375.30606	2.7
393.27368	20.7
393.31570	7.1
394.28564	2.1
411.28769	100.0
411.32959	30.9
412.29004	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	411.3251
Annotation	6-Geranylgeranyl-2,3-dimethylbenzene-1,4-diol
Peak:m/z	Relative Intensity
53.03934	2.7
55.05503	32.4
57.03425	1.1
57.07061	6.4
57.97789	1.0
67.05501	20.7
67.10485	1.0
69.07057	30.2
71.04967	1.7
71.08620	2.0
79.05479	16.9
81.07043	38.8
83.08607	80.9
84.08936	1.3
91.05463	20.0
92.05759	1.2
93.07030	40.3
95.04957	3.5
95.08591	80.0
96.08935	3.1
97.10141	5.4
98.21456	2.6
103.05438	1.5
105.07011	43.1
106.07368	1.9
107.08576	74.0
108.08901	3.0
109.06497	1.9
109.10143	38.1
110.10469	1.4
111.08062	3.6
117.06975	3.2
119.08565	100.0
120.08893	3.5
121.10127	89.1
122.10500	2.8
123.08041	2.4
123.11688	12.7
125.06004	1.4
129.06926	1.6
131.08556	11.9
133.10110	61.0
133.99281	1.1
134.10411	2.7
135.11671	33.0
137.13229	4.9
139.07478	1.9
142.07744	1.2
142.39063	1.3
143.08549	5.4
144.09355	1.1
145.10138	14.0
146.10738	2.1
147.11667	35.7
148.11980	1.8
149.09596	1.9
149.13234	18.9
151.07533	2.2
151.14799	3.1
153.09085	11.2
155.08533	1.0
157.10103	4.5
159.11662	11.9
160.12395	2.6
161.13242	15.3
163.07520	1.2
163.14792	31.2
164.15112	1.8
165.09068	2.7
165.16447	1.6
167.10666	1.7
169.10121	1.6
171.11700	3.6
173.13239	8.9
175.14801	61.5
176.15118	2.0
177.09134	2.0
177.16360	69.7
178.16725	3.0
183.11664	2.1
185.13223	4.7
187.14777	10.2
189.16353	89.8
190.16753	4.2
191.17924	27.8
195.66750	1.2
199.14804	4.3
201.16389	10.9
203.17906	19.2
204.18274	2.3
205.19484	2.5
207.17413	5.0
211.14778	2.2
213.16342	10.1
215.17926	6.4
217.15833	2.8
217.19498	7.4
218.16508	1.2
219.13902	1.5
221.47093	1.3
227.17987	2.2
229.15811	1.4
229.19576	3.0
235.16882	13.1
241.19501	4.8
243.21027	2.7
245.22673	1.3
247.16908	9.5
249.18533	2.2
255.21120	1.9
257.22617	1.9
261.18390	1.5
269.22638	4.7
273.18460	2.0
283.24179	4.0
287.19873	1.6
295.24246	2.4
301.21628	1.4
309.25723	2.3
327.23224	1.8
329.24704	3.0
341.24683	2.7
355.26321	6.8
365.31949	15.2
393.34937	3.2
411.18027	1.9
411.32199	34.5
412.32761	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.05504	36.4
57.07054	6.1
62.85589	1.8
63.97640	1.9
67.05493	16.6
69.07060	26.0
69.73228	17.6
71.04980	2.3
72.23619	2.1
78.05460	2.4
79.05471	14.0
81.07041	32.9
83.08609	80.2
87.29946	1.9
91.05466	19.0
93.07035	50.0
95.08591	74.7
97.10147	5.1
98.77573	2.3
105.07014	39.8
107.08581	80.0
109.06481	2.5
109.10144	34.7
111.08071	2.5
119.08569	98.7
120.08923	2.9
121.09255	5.2
121.10130	98.0
123.11703	11.4
129.06947	2.6
131.08559	9.5
133.10118	62.6
133.11145	3.0
135.08044	2.9
135.11670	34.0
137.13217	5.3
139.07558	3.1
143.08572	4.7
145.10124	13.8
147.11670	34.0
149.13226	18.3
153.09085	10.3
157.10179	6.3
159.11642	13.2
161.13263	12.0
163.07492	2.6
163.14799	29.7
165.09138	3.3
167.10704	2.6
171.11696	5.3
173.13280	11.2
175.14803	61.7
176.15175	3.1
177.16360	75.8
185.13287	3.4
187.14854	7.2
189.16359	100.0
191.17917	26.6
199.14787	5.2
201.16370	15.3
203.17992	18.3
207.17612	4.8
211.14758	2.6
213.16289	13.8
215.17981	5.6
217.19485	9.9
227.17972	3.0
229.19545	3.8
235.16936	15.2
241.19504	4.9
243.21001	4.5
247.16942	8.7
249.18605	2.5
255.20883	2.3
269.22638	6.1
283.24265	5.1
324.78143	2.3
329.24762	4.4
355.26416	4.8
365.31979	14.1
411.32257	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	411.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.05504	36.4
57.07054	6.1
62.85589	1.8
63.97640	1.9
67.05493	16.6
69.07060	26.0
69.73228	17.6
71.04980	2.3
72.23619	2.1
78.05460	2.4
79.05471	14.0
81.07041	32.9
83.08609	80.2
87.29946	1.9
91.05466	19.0
93.07035	50.0
95.08591	74.7
97.10147	5.1
98.77573	2.3
105.07014	39.8
107.08581	80.0
109.06481	2.5
109.10144	34.7
111.08071	2.5
119.08569	98.7
120.08923	2.9
121.09255	5.2
121.10130	98.0
123.11703	11.4
129.06947	2.6
131.08559	9.5
133.10118	62.6
133.11145	3.0
135.08044	2.9
135.11670	34.0
137.13217	5.3
139.07558	3.1
143.08572	4.7
145.10124	13.8
147.11670	34.0
149.13226	18.3
153.09085	10.3
157.10179	6.3
159.11642	13.2
161.13263	12.0
163.07492	2.6
163.14799	29.7
165.09138	3.3
167.10704	2.6
171.11696	5.3
173.13280	11.2
175.14803	61.7
176.15175	3.1
177.16360	75.8
185.13287	3.4
187.14854	7.2
189.16359	100.0
191.17917	26.6
199.14787	5.2
201.16370	15.3
203.17992	18.3
207.17612	4.8
211.14758	2.6
213.16289	13.8
215.17981	5.6
217.19485	9.9
227.17972	3.0
229.19545	3.8
235.16936	15.2
241.19504	4.9
243.21001	4.5
247.16942	8.7
249.18605	2.5
255.20883	2.3
269.22638	6.1
283.24265	5.1
324.78143	2.3
329.24762	4.4
355.26416	4.8
365.31979	14.1
411.32257	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	411.3255
Annotation	6-Geranylgeranyl-2,3-dimethylbenzene-1,4-diol
Peak:m/z	Relative Intensity
53.03941	1.6
55.05504	5.5
57.07058	1.5
67.05494	10.6
67.79556	0.7
69.03404	1.9
69.07059	10.1
71.04978	0.9
71.30123	1.5
77.03912	0.9
79.05481	8.4
81.03374	1.2
81.07047	20.7
82.84576	0.8
83.04971	1.0
83.08592	2.8
85.02856	1.1
85.06515	2.2
87.04446	0.9
88.03091	0.7
91.05474	10.7
93.07030	25.6
94.07333	1.3
95.04961	2.1
95.08590	26.0
96.08931	0.9
97.06503	1.6
97.10135	1.4
99.08073	1.4
103.05485	0.9
105.07013	26.0
107.08580	32.7
108.08899	1.2
109.02890	1.0
109.06513	2.1
109.10136	17.7
111.08056	3.4
117.07001	4.3
119.08565	35.1
121.06496	3.5
121.10135	24.9
123.08061	2.6
123.11665	4.7
124.60804	0.8
125.09599	1.5
128.06169	1.1
129.06984	2.4
131.08553	10.8
133.10114	15.2
135.08061	2.3
135.11667	10.3
137.05936	0.8
137.09595	2.2
137.13225	1.7
141.07031	1.0
142.07744	1.7
143.08569	7.2
144.09325	1.2
145.10100	15.6
146.10585	1.0
147.08046	3.3
147.11670	9.6
148.12012	1.2
149.09651	2.1
149.13235	32.4
151.11105	1.2
151.14783	0.8
155.08577	1.1
156.09312	1.5
157.10094	7.6
159.11682	18.6
160.12152	0.9
161.09610	6.5
161.13239	26.0
162.13628	1.9
163.03877	1.8
163.11174	1.7
163.14801	26.0
165.07259	0.8
168.09503	0.8
169.10103	1.6
170.10930	0.9
171.11687	7.4
173.09653	0.8
173.13239	10.5
175.11229	2.1
175.14803	12.6
176.15233	1.0
177.05405	0.8
177.11293	0.7
177.12767	2.3
177.16351	4.8
179.14296	9.2
183.11725	2.2
185.13275	8.4
186.13823	0.9
187.14813	13.4
188.15237	1.5
189.12764	3.2
189.16368	6.0
191.14391	1.2
191.17918	2.3
193.15852	0.9
195.11641	0.8
197.13228	2.8
197.15282	1.1
199.14819	5.6
201.16403	9.3
203.14296	2.6
203.17918	3.9
209.13217	1.5
209.15271	1.2
211.14890	2.2
213.16362	6.5
214.16991	1.2
215.17924	30.7
216.18340	1.4
217.15868	0.9
219.17403	1.2
223.14767	1.6
225.16403	2.0
227.17958	5.7
228.18486	0.9
229.19478	11.9
231.17534	1.2
239.17703	1.6
241.19511	7.0
242.20009	0.9
243.21103	3.5
251.17935	1.0
253.19579	2.0
255.21048	13.6
256.21463	1.4
261.18494	3.2
267.20999	1.9
269.19177	1.1
281.22617	0.9
283.24304	1.7
287.20038	1.2
293.22617	1.1
305.22723	1.3
309.25696	1.2
333.25894	0.9
349.28860	2.9
365.28339	2.3
369.27756	1.0
375.30566	4.2
393.31396	12.6
394.31784	1.4
411.32565	100.0
412.32922	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	411.325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.05499	15.5
57.03426	1.7
57.07055	2.6
62.46276	1.8
64.35957	1.5
65.03921	2.9
67.05491	20.6
69.03405	3.7
69.07051	24.2
71.04970	3.0
71.70779	2.3
79.05474	25.5
81.07039	46.6
83.08594	10.5
85.02889	4.2
85.06541	4.4
87.80256	1.8
91.05468	32.7
93.07027	71.0
94.07334	2.4
95.04963	6.1
95.08585	61.3
97.06499	3.8
97.10155	3.9
99.08076	17.5
105.07008	98.9
106.07348	3.7
107.08572	89.2
107.64642	1.7
108.08914	4.2
109.06493	7.6
109.10130	32.6
111.04386	3.0
111.11709	2.0
113.06046	1.8
115.05472	2.3
117.07000	14.0
119.08559	99.6
120.08934	5.0
121.06490	10.3
121.10116	46.5
123.08028	6.9
123.11695	6.7
124.90655	1.6
125.09640	3.3
128.06169	3.9
129.07027	11.3
130.07748	2.6
131.08537	52.4
132.08960	1.9
133.06549	1.9
133.10103	56.0
135.08032	6.3
135.11673	22.0
137.05960	2.7
137.09602	5.2
137.13289	2.9
139.11061	2.0
141.06932	2.3
142.07759	5.6
143.08540	17.2
144.09265	8.6
145.06528	1.9
145.10107	58.1
147.08028	7.2
147.11653	62.6
149.09608	5.1
149.13231	69.6
150.13571	4.9
151.07504	3.1
154.07649	2.1
155.08487	6.2
156.09291	2.6
157.10107	28.6
159.08067	1.8
159.10350	4.2
159.11665	78.9
160.12038	5.4
161.09590	16.4
161.13226	96.5
162.13528	4.2
163.03825	3.0
163.11179	11.6
163.14767	25.2
165.12764	9.1
167.08495	2.1
169.10117	7.8
170.10771	2.3
171.11658	16.0
172.12297	2.3
173.13237	40.5
175.11194	4.5
175.14793	39.2
176.15100	3.2
177.09132	2.5
177.12703	6.2
177.16374	10.1
179.10634	2.6
179.14246	5.8
179.44061	1.7
181.10107	7.4
183.11659	11.1
185.13240	25.4
186.13605	2.2
187.14786	32.0
188.15099	2.6
189.12759	10.6
189.16344	22.4
191.14218	4.9
191.17886	17.5
193.15932	3.2
195.11627	5.8
197.13243	8.1
197.50940	1.9
199.14775	20.7
201.12653	3.0
201.16345	87.8
202.16730	3.9
203.14310	11.4
203.17899	16.7
205.15923	3.6
207.11783	3.8
207.13776	7.7
209.13269	8.4
211.14763	8.5
213.16350	9.9
215.14267	5.1
215.17914	9.5
217.15794	10.6
218.16225	1.8
219.17366	5.4
221.13287	3.8
221.15324	6.1
223.14792	5.9
225.16360	7.6
227.17934	6.0
229.15833	4.8
229.19405	5.3
231.13826	12.4
233.15408	1.9
235.14748	3.1
237.16443	6.2
239.17905	6.5
241.19487	6.3
243.17390	2.5
245.15257	2.8
247.16814	10.7
249.14545	9.2
251.17903	7.8
253.19456	4.5
255.17345	1.9
255.21010	4.9
261.14862	6.1
263.16119	3.9
265.19589	3.0
267.20892	3.1
277.19458	9.6
278.20264	2.4
279.21140	3.8
283.20688	1.6
291.21005	1.9
293.22577	18.4
294.22974	3.9
303.20789	2.3
307.24277	3.3
321.25809	1.9
337.25214	3.6
338.71170	2.0
347.27219	16.4
365.28317	56.8
366.28787	6.6
375.26575	3.2
375.30606	2.7
393.27368	20.7
393.31570	7.1
394.28564	2.1
411.28769	100.0
411.32959	30.9
412.29004	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	411.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.05505	8.0
57.07071	2.2
67.05496	14.0
69.03432	1.5
69.07064	10.3
71.44628	2.5
76.94617	1.1
79.05474	13.7
80.32623	1.3
81.07050	27.4
83.04950	1.6
83.08611	5.0
85.02870	1.3
85.06559	3.0
91.05463	13.3
93.07029	41.1
95.04982	4.1
95.08594	33.5
97.06537	2.4
99.08089	6.1
103.05444	1.4
105.07013	37.0
106.07349	1.5
107.08575	42.1
108.08921	1.8
109.06541	2.3
109.10144	23.3
111.08080	5.3
117.06994	5.7
119.08565	47.1
120.08897	1.8
121.06515	5.2
121.10128	31.8
122.10490	1.8
123.08073	3.6
123.11674	8.1
129.06984	3.6
131.08549	22.7
133.10109	21.4
133.11021	1.9
134.10490	2.3
135.08090	1.5
135.11687	11.1
135.44440	1.2
135.94826	1.2
137.09616	2.8
137.13292	1.5
142.07751	2.5
143.08557	11.3
144.09309	3.2
145.10100	24.1
147.08041	5.5
147.11652	18.7
149.09587	3.0
149.13237	38.4
149.14452	1.9
150.13693	1.5
151.11200	1.3
151.14850	2.4
155.08569	2.7
156.09355	2.9
157.10075	13.5
158.10730	1.3
159.11679	28.3
161.09607	9.4
161.13237	29.1
161.14496	2.0
162.13620	1.9
163.11206	3.3
163.14795	29.3
164.15337	1.7
167.68698	1.2
169.10184	4.4
171.11650	9.4
172.12410	2.4
173.13226	16.6
175.11235	2.4
175.14792	15.6
177.16437	3.7
179.14314	7.2
181.10217	1.6
183.11731	4.6
185.13237	13.7
186.13914	1.4
187.14818	13.1
188.15308	1.4
189.12811	6.4
189.16376	6.4
192.52428	1.3
193.16017	1.7
195.11655	1.9
197.13309	2.6
199.14781	9.6
201.16374	20.7
203.14389	3.1
203.18068	3.9
207.11758	1.6
209.13268	2.6
211.14880	5.1
213.16379	7.7
214.17039	1.4
215.14525	3.2
215.17921	28.7
217.15936	3.6
223.14798	2.9
225.16472	3.8
227.17928	5.6
228.18829	1.4
229.15939	2.1
229.19473	15.2
231.17566	1.5
235.14821	1.3
237.16273	2.7
239.17976	3.4
241.19452	8.7
243.17288	2.2
243.21169	3.3
249.16394	2.0
251.17993	1.5
253.19537	2.1
255.21046	13.2
261.18591	1.9
265.19675	1.2
267.21088	1.6
277.19565	2.9
283.24130	2.5
293.22604	6.2
347.27393	3.7
347.99173	1.3
349.29007	2.5
365.28345	14.9
366.28815	1.3
375.26416	1.4
375.30643	4.6
393.28076	1.6
393.31747	13.1
411.32745	100.0
412.33197	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	411.3614
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03936	1.8
54.97483	1.4
55.05510	11.5
57.07059	2.3
67.05495	22.5
69.07059	20.8
69.81374	9.7
79.05489	15.8
81.07044	43.9
82.55905	1.5
83.08611	8.5
91.05466	13.3
93.07026	46.6
93.07582	2.9
95.08593	100.0
97.10161	4.2
98.21330	2.3
101.02122	1.4
105.07022	27.3
107.08579	68.3
108.08889	2.3
109.10138	41.2
111.11748	1.9
117.07027	3.0
119.08559	41.4
119.22894	1.6
121.10124	54.7
123.11723	12.3
125.09593	3.0
131.08533	4.9
133.10114	25.3
135.11673	30.0
137.13248	6.7
145.10129	9.3
147.11656	17.2
149.13235	35.5
151.07526	2.1
159.11679	14.4
161.13234	19.4
163.11240	1.9
163.14803	59.2
163.16203	3.0
164.15161	3.3
171.17773	1.4
173.13239	6.0
175.14795	23.3
177.12730	2.6
177.16380	18.5
179.14319	7.0
181.06232	1.4
187.14799	11.4
189.16328	26.8
189.17805	2.3
191.17931	12.1
199.14742	2.2
201.16371	7.1
203.17949	30.9
205.15889	2.2
205.19510	4.9
207.17422	7.3
213.16298	2.8
215.18005	6.4
217.19508	7.8
219.17456	1.6
229.19604	3.1
231.21030	15.3
233.19064	5.4
233.22536	3.4
243.21156	3.7
255.21059	3.0
271.24301	1.7
297.25748	10.9
315.26962	5.0
339.30560	1.8
341.28339	2.0
393.35178	10.3
411.36212	64.7
412.36514	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	411.3613
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05501	14.5
56.44706	2.6
57.07067	5.9
61.72677	2.3
65.81138	2.1
67.05499	27.4
69.07061	27.4
71.71196	3.8
71.71558	2.4
74.99744	2.2
77.88074	2.1
79.05492	17.9
81.03399	2.9
81.07041	60.2
83.08615	12.8
85.10145	3.0
91.05470	16.6
93.07016	39.7
95.04974	3.0
95.08592	100.0
97.10161	5.9
102.39626	2.4
104.43726	2.5
105.07011	28.3
107.08575	70.4
109.06534	2.5
109.10137	51.8
111.08083	3.5
117.07014	5.8
119.08565	43.8
121.10132	48.0
123.08037	4.3
123.11674	19.6
131.08542	15.4
133.10098	34.5
135.11685	39.2
137.13257	9.7
141.05391	2.5
143.08627	3.0
145.10127	15.7
147.11687	25.2
149.13235	30.5
157.10149	5.2
159.11635	20.9
161.13240	24.6
163.14792	31.0
171.11719	5.2
173.13234	16.0
175.14786	31.1
177.16357	24.0
179.14323	6.7
185.13287	5.0
187.14751	17.4
189.16350	34.4
191.17931	21.4
193.15855	5.2
199.14844	4.2
201.16385	18.9
203.17923	30.8
205.15810	2.8
205.19525	6.4
207.17427	6.5
213.16432	6.0
215.17946	17.4
217.19524	8.5
227.17964	3.6
229.19492	10.7
231.21048	11.5
233.18959	6.1
241.19495	3.1
243.21072	8.0
247.20633	4.2
255.21107	6.6
257.22684	4.9
269.22729	5.4
285.82452	2.4
287.23621	3.5
297.26007	3.5
323.27176	3.1
325.29074	3.5
351.30258	13.7
384.04636	2.4
393.35153	45.6
394.35461	5.3
411.36215	85.9
412.36511	9.8
429.10394	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	411.3615
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
54.99961	1.5
55.05505	9.4
55.55687	1.6
57.07053	2.2
62.07652	1.8
67.05492	20.6
69.07050	18.5
69.65073	13.9
79.05482	11.2
81.07040	38.9
83.08603	9.1
83.31464	1.6
91.05450	11.0
93.07027	36.8
95.04949	2.8
95.08590	100.0
97.10168	5.1
105.07018	23.9
107.08578	50.5
109.06497	2.5
109.10133	54.0
110.10492	2.0
111.08035	2.2
111.11697	3.3
119.08560	34.8
121.10113	42.9
123.11694	16.6
131.08563	8.2
133.10106	30.2
135.11661	43.2
136.11958	1.9
137.13249	5.3
143.08502	2.3
144.09377	1.9
145.10065	19.7
147.11658	23.4
149.13220	26.7
151.14809	2.6
156.79927	1.9
157.10094	3.3
159.11678	17.3
161.13222	26.0
163.14781	21.8
165.12674	1.7
165.16341	3.5
171.11664	4.1
173.13272	13.8
175.14807	32.4
175.16177	2.6
177.16357	22.4
179.14352	4.9
185.13150	4.3
187.14810	13.7
189.16362	24.8
191.17928	21.0
193.15854	2.9
199.14803	2.5
201.16345	18.3
203.17921	23.9
204.18353	2.0
205.15932	2.9
205.19514	6.9
207.17334	11.2
213.16399	4.0
215.17899	13.4
217.19463	11.2
219.17494	3.5
221.18970	2.7
227.17932	5.6
229.19447	10.1
231.21123	7.3
233.19025	4.5
241.19534	3.5
243.20978	10.7
255.21075	5.1
257.22614	6.6
269.22641	7.5
271.24316	2.4
287.23782	3.3
297.25830	11.1
315.26727	9.3
325.28699	2.0
340.98965	2.0
341.28354	3.9
351.30380	9.5
353.72855	2.0
393.35089	41.7
394.35727	2.3
411.36243	64.4
412.36526	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3616
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
54.14373	0.6
55.05500	4.0
57.07067	1.3
62.03458	0.7
67.05496	7.9
69.07056	8.9
69.53975	6.6
79.05478	5.3
81.07043	25.9
83.08599	3.2
91.05457	3.7
93.07021	12.9
95.08589	29.0
97.06516	1.6
97.10154	2.4
98.20770	1.4
105.07015	7.1
107.08578	20.6
109.06513	0.9
109.10143	17.5
111.08058	1.6
111.11741	0.9
117.06956	1.5
119.08580	12.1
121.09258	1.1
121.10128	20.7
121.10978	1.4
122.10540	0.7
123.05395	0.7
123.08078	1.0
123.11680	8.5
131.08548	2.4
133.10101	9.0
135.11671	12.9
137.13237	2.9
143.08611	0.9
145.10068	3.7
147.11652	7.1
149.13239	8.2
150.82249	0.7
151.14745	1.0
157.10017	1.1
159.11673	4.8
161.13240	6.6
163.14807	9.4
165.16428	1.4
171.11668	0.7
173.13254	4.2
175.14795	5.6
177.16356	32.5
178.16713	1.8
179.14301	1.0
187.14796	4.4
189.16351	8.2
191.17845	3.8
199.14864	1.0
201.16316	3.9
203.17929	6.1
205.19537	1.5
215.17918	4.3
217.19560	5.0
219.17467	1.6
227.17963	1.0
229.19537	3.0
231.21002	4.7
233.19028	1.5
241.19473	1.8
243.21001	3.8
245.22627	2.2
247.20546	7.5
255.21098	1.8
257.22549	4.2
259.20599	0.7
259.24158	1.4
261.22205	2.0
269.22638	3.2
271.24158	2.0
273.22131	1.4
275.23584	0.8
287.23749	1.1
305.54681	0.7
393.35052	11.0
394.35559	1.1
411.36166	100.0
412.36481	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	411.3616
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03934	2.2
54.22718	1.9
55.05500	10.1
57.07058	5.4
67.05484	18.8
69.07056	18.8
71.08595	2.0
71.41897	4.0
73.65041	1.9
74.02175	1.7
74.50973	2.1
79.05482	14.4
81.07039	56.4
83.08594	8.1
91.05460	13.2
92.05742	1.9
93.07026	41.1
95.08587	67.2
96.08915	1.9
97.06503	2.9
97.10164	3.4
105.07017	24.3
107.08575	60.4
109.10129	48.3
111.08076	3.5
111.11761	2.1
117.06992	3.1
119.08562	34.3
121.10120	51.7
123.11684	22.3
131.08568	8.5
133.10106	28.9
135.11667	52.5
135.12651	4.0
136.11995	2.3
137.13223	6.1
143.08511	4.4
145.10114	14.0
147.11676	19.4
149.13229	23.3
151.14864	3.3
157.10110	2.0
159.11676	18.6
161.13263	16.8
163.14774	19.0
165.16365	2.1
166.78735	1.8
173.13264	12.6
175.14784	16.2
177.16367	17.8
185.13237	4.8
187.14786	10.3
189.16354	9.4
191.17865	9.6
199.14859	4.1
201.16351	9.5
203.17990	10.7
205.19643	2.4
213.16293	4.5
215.17912	14.2
217.19481	10.6
219.17561	2.3
227.17860	3.6
229.19489	11.5
231.21016	13.9
233.18979	4.5
241.19467	4.0
243.21028	12.9
245.22617	13.2
247.20459	2.8
255.21118	8.4
257.22647	16.8
259.24228	7.8
261.22122	5.2
269.22662	8.8
271.24246	14.5
273.22104	3.1
283.24323	2.5
287.23843	3.1
351.30557	5.0
393.35052	40.5
394.35385	5.1
411.36145	100.0
412.36453	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	412.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
53.16904	1.8
55.01857	4.1
55.05492	5.3
57.03159	2.4
57.03427	32.2
59.04987	4.7
60.08157	3.4
61.02923	10.6
64.20222	1.8
64.20652	1.8
67.05479	4.0
69.03418	56.0
69.07047	2.8
70.06583	6.3
71.01334	3.1
71.04976	7.7
71.70433	3.9
73.02901	45.0
79.05492	3.3
81.03387	10.8
81.07047	3.5
83.08607	6.3
85.02886	100.0
86.03233	2.7
86.09693	10.0
87.04450	24.1
91.03944	4.1
91.05457	4.3
93.07021	4.3
95.04962	2.3
97.02875	64.0
98.03220	1.8
99.04424	4.1
101.09652	1.8
103.03950	1.8
104.10719	19.9
105.07011	3.4
107.04925	3.3
107.08565	4.3
109.02859	8.6
109.06527	3.8
109.10114	3.6
111.08072	3.2
115.03908	57.8
119.08573	1.9
121.06524	2.3
121.10179	2.7
124.99979	4.9
125.09608	2.1
127.03894	23.6
132.06500	2.1
133.04939	45.4
133.05904	2.4
135.08017	3.0
136.07542	2.2
139.07500	4.6
141.09094	3.9
145.04933	37.0
145.10080	2.9
150.07619	6.9
152.05580	2.0
162.10011	1.7
163.06000	11.7
167.10657	3.7
184.07326	16.3
185.60239	1.7
190.89943	1.7
191.15570	1.7
197.11584	1.6
223.06007	4.3
227.12682	2.0
241.07123	6.9
245.13780	2.6
249.92697	2.0
251.12906	1.8
251.16393	5.1
251.29945	1.8
259.07986	2.5
263.14966	3.2
276.78336	1.6
412.20605	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	412.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.01847	1.2
55.05505	4.3
56.05028	3.4
56.56949	0.4
57.03440	0.5
57.07045	1.7
60.04506	2.4
65.03927	0.8
67.04236	0.4
67.05497	12.5
68.04986	0.7
69.03425	4.5
69.07059	4.3
70.06571	1.0
71.04983	2.9
71.08620	0.5
71.70525	0.6
72.08141	1.1
74.06037	0.4
79.05483	13.7
80.05006	3.2
81.03395	2.9
81.05770	2.6
81.07046	13.3
81.07533	0.6
82.06569	4.8
83.04962	1.5
83.08588	2.4
84.08158	0.4
85.06519	1.6
86.06068	0.4
87.04447	2.8
91.05471	7.9
92.05813	0.4
93.07031	23.1
93.96532	0.4
94.06555	17.1
94.07398	0.8
95.04951	3.8
95.08591	20.9
96.08116	3.6
96.08686	0.4
96.08891	0.3
97.02865	0.7
97.06517	4.4
97.10141	1.8
103.05464	1.3
105.04537	0.5
105.06325	0.8
105.07017	11.4
106.06520	0.5
106.07388	0.4
107.07317	3.2
107.08558	1.8
108.08076	0.5
109.10146	0.9
110.08945	0.8
110.09664	10.1
110.10425	0.5
111.08064	13.2
111.11716	0.7
119.08557	0.9
120.08089	0.8
121.10140	1.4
122.09650	33.4
123.08048	27.5
123.09962	1.2
124.08398	0.6
128.10701	39.9
129.11018	0.8
131.08531	0.7
133.10150	0.7
135.11658	0.9
140.10681	100.0
141.09088	9.3
141.10997	1.4
145.10147	0.5
146.10484	0.6
147.11691	0.5
149.13229	0.6
157.10101	0.5
157.21326	0.4
158.11754	8.2
163.11147	0.4
163.14818	0.9
164.15158	0.4
168.85197	0.5
173.13014	0.4
176.15094	0.4
177.12596	0.4
195.13725	0.5
235.87517	0.4
237.22069	0.4
254.24770	1.2
266.24744	0.4
272.25839	6.7
278.28580	0.6
290.28510	0.4
364.32129	1.0
376.31793	0.7
382.33069	5.0
394.33075	11.7
395.33575	0.8
412.33972	7.7
413.21542	1.4
413.29782	0.6
413.34521	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.141
Annotation	t(6)a
Peak:m/z	Relative Intensity
53.54141	0.3
55.01849	0.4
56.05023	0.9
57.03405	0.4
69.03389	0.4
70.83273	1.0
70.83660	0.5
74.06065	2.6
85.02898	0.4
85.61552	0.3
97.65149	0.3
102.05524	1.3
105.07018	0.3
119.03529	2.8
120.06557	9.2
136.06160	100.0
137.04613	1.7
137.06482	1.0
141.11862	0.3
148.14503	0.3
149.90958	0.3
162.04083	61.7
163.04422	0.8
166.69113	0.3
222.97723	0.3
268.10410	1.2
268.23572	0.3
281.09879	50.0
282.10065	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2161
Annotation	Tinocordifolioside
Peak:m/z	Relative Intensity
52.68242	1.4
53.03932	3.2
55.01859	3.7
55.05490	6.9
57.03414	5.4
57.07072	2.3
57.09354	1.7
61.02906	2.8
67.05486	13.5
69.03417	15.4
69.07050	9.2
71.04966	5.6
71.50272	3.7
73.02890	2.1
73.19146	1.6
79.05482	11.4
81.03394	11.9
81.07039	19.4
83.04962	8.2
83.08585	3.6
85.02887	28.7
85.06513	5.4
86.09665	1.8
87.04455	2.5
91.05459	11.7
93.07026	14.6
95.04956	11.0
95.08588	11.6
97.02859	12.2
97.06503	10.1
99.04424	4.1
105.07019	17.0
107.04924	3.5
107.08566	13.1
109.02846	11.8
109.06459	5.7
109.10143	12.2
111.04440	3.2
111.08038	3.3
117.06992	5.1
119.04935	3.2
119.08547	9.4
121.06465	7.4
121.10101	6.2
123.04362	2.0
123.08035	3.6
123.11667	2.0
125.05952	8.6
125.09600	4.7
127.03873	9.7
127.07536	2.1
128.06187	2.2
129.07001	3.6
130.07799	2.2
131.08530	13.4
133.06438	5.8
133.10130	8.1
135.04439	2.0
135.08022	7.0
135.11652	4.4
136.07542	2.8
137.05951	7.4
137.09586	3.0
141.06992	2.6
143.07007	2.0
143.08517	4.5
145.04938	2.9
145.06445	11.0
145.10100	19.7
147.04387	2.6
147.08047	7.8
147.11647	4.7
149.09547	4.1
149.13306	1.7
151.03931	2.5
151.07475	4.3
151.11060	2.3
152.07072	3.6
155.08540	5.4
156.09273	2.0
157.10049	2.8
159.08028	12.9
159.11673	8.8
161.09570	6.0
161.13278	2.5
163.11159	3.9
164.07143	1.7
165.05399	1.7
166.08684	1.7
167.06972	2.2
167.08401	2.3
169.10094	3.0
171.11653	4.0
173.09583	19.4
173.13216	6.9
174.10095	1.5
175.07564	2.6
175.11145	6.1
177.09070	3.1
187.11119	10.0
187.14824	5.0
189.12694	3.2
191.10616	3.6
197.13167	3.6
201.09081	2.1
203.14265	2.3
205.12180	4.4
209.15324	1.7
215.10677	6.2
215.14250	22.5
233.11714	3.2
233.15327	83.5
234.15645	5.3
251.12651	3.9
251.16374	100.0
252.16443	6.4
395.16040	2.0
413.21170	6.4
413.26495	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2164
Annotation	Pterodontoside B
Peak:m/z	Relative Intensity
53.03923	1.3
53.37190	0.5
55.01854	1.1
55.05492	2.4
57.03426	1.1
61.02913	1.2
67.05493	3.9
69.03420	4.9
69.07050	2.1
70.06561	0.8
71.04986	1.1
71.69812	0.6
71.70191	0.8
73.02906	0.5
79.05478	3.8
81.03403	4.3
81.07043	6.4
83.04972	1.7
83.08598	0.8
85.02888	7.3
85.06516	1.5
91.05483	4.0
93.07034	5.4
95.04937	3.1
95.08611	4.3
95.09164	0.9
97.02884	2.8
97.06499	1.6
99.04427	1.0
99.08054	0.5
103.05513	0.6
105.07013	7.1
107.04926	1.3
107.08585	5.0
109.02863	3.8
109.06456	2.8
109.10145	5.9
111.04426	0.7
111.08047	1.0
116.85958	0.6
117.06998	2.8
119.04937	0.9
119.08548	4.6
121.06483	6.0
121.10095	1.6
123.04363	0.9
123.08061	0.8
125.05978	2.4
127.03896	2.3
129.06998	1.1
131.08539	5.6
133.06473	6.1
133.10136	2.9
135.08017	3.7
135.11691	1.0
136.07555	2.0
137.05945	1.7
137.09608	0.6
143.08530	2.3
145.04875	1.0
145.06485	1.3
145.10114	6.5
147.04323	0.6
147.07990	5.6
147.11665	1.6
149.05951	0.7
149.09583	1.2
151.07562	0.9
155.08513	1.2
157.10091	2.3
158.07100	0.6
159.08023	4.2
159.11679	2.7
161.09605	2.6
161.13223	1.0
163.03859	0.6
163.07458	0.9
163.11186	1.6
164.07037	0.9
169.10094	1.5
171.11688	1.0
173.09586	5.0
173.13242	1.5
174.10326	1.7
175.11122	2.4
175.14789	0.9
177.09093	1.1
177.12717	2.3
185.13173	1.1
187.11185	4.3
187.14735	2.5
189.12729	1.9
191.10687	2.0
197.13228	1.1
203.14288	61.3
204.14557	3.0
205.12192	1.9
209.11693	1.0
215.10698	2.7
215.14244	4.3
233.11659	2.2
233.15271	3.9
235.09769	0.6
251.16393	100.0
252.16743	5.3
361.26321	0.6
395.16187	0.9
413.16873	0.9
413.21515	2.2
439.62790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2166
Annotation	Pterodontoside B
Peak:m/z	Relative Intensity
51.02393	1.1
53.03943	5.0
55.01861	2.3
55.05507	8.5
57.03437	7.9
59.04991	3.3
61.02919	1.6
65.03934	1.6
67.05495	22.8
69.03423	35.4
69.07059	6.3
69.07375	0.9
70.06596	2.2
71.04992	5.9
71.71021	2.1
73.02902	1.5
79.05492	11.8
80.00065	0.9
81.03416	9.9
81.07049	24.1
83.04971	15.0
83.08605	2.1
84.08141	0.9
85.02898	18.6
85.03391	1.9
85.06539	3.7
87.04456	2.7
91.05467	19.9
93.07033	68.0
94.07376	2.3
95.04961	13.2
95.08596	27.6
97.02876	7.7
97.06506	4.3
97.10177	1.1
99.04455	3.5
99.08090	3.8
103.05421	2.3
105.07014	21.4
107.04942	2.9
107.08587	15.6
108.05733	1.5
109.02874	4.5
109.06503	9.1
109.10135	9.7
111.04426	23.1
111.05166	1.8
111.08070	17.8
112.04760	1.2
113.05983	2.1
113.09648	4.2
115.05405	1.3
117.07007	4.0
119.04992	1.6
119.08551	12.2
121.06496	8.9
121.10134	14.8
123.04433	1.7
123.08054	15.1
123.11702	3.0
125.06009	2.9
125.09621	7.1
127.03899	7.3
127.07568	5.3
128.06186	1.6
129.07019	3.3
130.06602	0.9
131.04968	1.1
131.08575	10.2
133.02794	1.4
133.06471	2.1
133.10156	5.5
135.04417	2.7
135.08026	6.6
135.11691	4.5
137.05936	8.6
137.09608	3.9
139.07524	3.7
141.09094	15.8
143.07030	1.9
143.08516	3.4
144.09296	1.7
145.04965	2.9
145.06459	2.1
145.10110	20.9
147.08090	2.1
147.11690	12.5
149.05891	1.5
149.09621	7.9
149.13278	3.5
151.07512	3.3
153.05447	2.2
153.09091	28.2
154.09457	1.2
157.10110	3.8
159.08052	2.4
159.11682	8.7
161.05974	2.4
161.09621	3.7
161.13254	1.5
163.03932	2.9
163.11171	7.4
165.05455	1.5
165.09119	2.0
169.10091	1.3
171.11636	2.6
173.09639	5.5
173.13280	4.6
175.07561	3.0
175.11185	5.5
177.09119	2.8
177.12711	2.3
177.16452	0.9
179.08411	1.1
179.10605	2.2
182.10878	1.1
185.13287	1.5
187.07564	1.6
187.11156	4.0
187.14833	9.6
189.09052	1.5
189.12770	1.4
191.10651	3.2
195.11769	1.2
197.13210	2.6
199.07553	1.6
203.10545	1.5
205.12225	2.4
205.15875	5.1
209.11722	1.8
215.10701	4.2
215.14207	6.5
215.17867	1.1
233.11615	2.8
233.15344	100.0
234.15677	3.6
235.16968	1.5
251.16409	55.1
252.16864	2.8
377.13730	1.2
380.12030	1.2
382.71997	1.2
395.15903	1.4
395.20602	2.8
413.16867	1.5
413.21741	5.6
413.30313	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	413.3775
Annotation	Stigmasterol
Peak:m/z	Relative Intensity
55.05495	18.0
55.92390	6.7
57.07061	23.6
58.44209	5.4
67.05487	38.5
69.07062	50.2
70.05450	39.8
71.08617	18.2
74.16978	6.2
75.98141	6.2
79.05482	19.4
81.07045	66.0
83.08629	15.5
85.10178	6.4
91.05466	32.9
93.07024	34.6
95.08588	72.9
97.06510	9.7
97.10159	17.0
105.07006	62.2
105.47369	6.5
107.08585	37.9
109.10144	33.4
111.11698	11.4
117.06995	17.8
119.08563	45.4
121.10131	19.1
123.11712	8.6
131.08545	37.0
133.10114	32.5
135.11665	19.0
142.07753	8.1
143.08562	10.9
144.09282	11.4
145.10132	36.5
146.24680	6.1
147.11684	35.9
149.13306	13.7
157.10098	17.2
159.11671	92.7
161.13260	38.5
171.11671	14.7
173.13254	33.8
175.14821	12.0
177.12730	15.2
185.13359	6.2
187.14815	11.0
191.14171	7.5
199.14832	19.4
201.16380	9.1
202.86717	6.5
213.16402	25.7
227.17880	11.4
241.19492	8.1
255.21024	19.7
360.31625	7.9
395.36691	100.0
413.37769	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	6.2
57.03448	5.4
61.02913	8.9
69.03404	20.3
69.67316	44.7
71.01316	6.9
79.05485	33.2
81.03400	38.4
81.07043	16.2
83.04962	22.3
85.02901	60.4
87.04439	6.0
94.61928	6.2
95.04958	40.2
97.02878	32.4
97.06524	19.4
98.20695	9.6
99.04438	6.9
101.65510	5.0
107.04932	16.1
108.05712	11.4
109.02842	15.3
109.06505	24.5
110.87990	5.8
111.04419	28.2
112.36240	5.7
116.72972	6.7
121.02848	20.2
121.06424	5.5
123.04433	47.8
125.05978	21.4
126.32785	6.2
127.03902	13.4
135.04381	17.4
136.05162	19.7
136.70952	5.8
137.05954	33.8
139.03838	13.8
145.04968	10.9
147.04317	6.8
149.05945	13.2
151.04005	5.4
153.05472	41.8
154.06204	9.2
165.05447	100.0
181.04929	11.9
183.06493	60.2
199.05992	36.2
201.07619	12.2
221.81430	5.0
293.58524	5.7
414.13791	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	414.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.0
55.01866	5.5
55.05498	3.5
57.03429	2.7
61.02910	7.0
65.03931	3.4
67.05486	6.0
69.03426	20.1
69.07049	2.6
70.06577	2.9
70.22594	11.1
71.01337	4.3
71.04978	4.9
73.02912	3.1
79.05486	31.0
80.06277	2.9
81.03402	39.4
81.07039	14.1
83.04965	27.0
84.08165	2.2
85.02898	50.6
86.09768	2.3
87.04427	3.4
91.03962	2.8
91.05452	4.6
95.04421	2.3
95.04957	52.0
97.02883	27.9
97.06518	21.2
99.04452	5.6
101.66863	2.0
107.04954	17.4
108.05725	6.9
109.02868	17.1
109.06509	27.0
110.03651	8.7
111.04443	27.4
119.04933	6.4
121.02855	19.5
121.06485	5.5
123.04412	57.4
124.05232	2.7
125.02341	3.6
125.05989	25.4
127.03868	11.9
135.04395	19.9
136.05185	22.8
136.06160	3.0
137.05963	44.8
139.03894	20.4
145.00826	2.1
145.04944	10.7
147.04381	4.0
149.05991	8.0
153.05450	47.8
154.06288	10.7
163.03799	2.4
165.05472	100.0
167.07036	3.6
173.04546	2.3
180.08687	4.5
181.04897	15.6
182.05679	2.7
183.06497	57.0
184.06870	2.2
196.81985	2.0
199.05989	27.8
201.07578	8.2
216.08604	3.1
217.06920	2.4
234.09686	6.9
239.39102	2.2
262.32513	2.1
320.47784	2.2
414.13733	2.7
419.00818	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63531	2.4
53.03939	3.7
56.96556	34.5
57.03428	3.2
61.02910	4.9
61.45001	2.4
61.80465	2.3
67.05482	3.4
69.03413	13.5
70.06577	8.4
71.04974	3.9
71.70802	4.4
72.08160	2.4
73.02899	5.6
74.09335	2.7
79.05463	6.0
79.90871	2.5
81.03410	24.8
83.04968	4.5
84.08138	5.6
84.96028	9.1
85.02905	26.3
86.09682	5.4
87.04458	3.8
91.05827	3.5
93.07016	2.6
95.04967	2.9
97.02866	15.6
97.96774	3.0
98.97567	100.0
99.04436	3.0
99.55635	2.6
107.04961	4.3
109.02925	4.0
110.97547	9.9
111.04414	3.9
116.98613	66.0
119.01891	3.2
119.04912	6.6
121.06498	4.5
123.04403	7.5
128.02271	3.4
128.53696	2.8
128.98596	27.7
131.00136	5.4
134.99641	44.3
136.06166	4.0
137.05931	6.7
143.00143	3.1
146.99634	32.1
147.04376	5.6
149.01170	6.4
149.05969	5.5
151.07370	2.5
152.05656	24.1
153.00743	3.3
158.99619	22.6
161.01196	9.9
161.02870	4.1
162.49881	2.4
165.00679	3.7
165.05470	3.2
167.06972	6.2
170.99638	4.3
177.00673	28.3
189.00682	9.9
195.01717	2.6
199.36557	3.1
200.02240	3.7
201.00711	4.5
219.01747	32.5
227.06702	18.3
230.01025	3.1
233.06700	17.5
235.02704	17.2
237.02780	78.0
238.01457	10.9
242.07368	4.2
253.03773	19.7
255.03703	6.4
256.02478	5.0
260.01877	3.1
260.04340	3.1
261.02759	2.6
269.03223	6.9
271.04874	12.4
277.03757	22.2
279.05618	4.0
284.09790	4.0
295.04828	41.5
309.08368	4.2
313.05905	7.7
318.06265	3.9
337.05832	7.9
344.97760	3.2
355.07059	4.5
415.09558	36.7
415.15222	3.1
415.16980	3.0
433.10336	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	415.2317
Annotation	Dendromoniliside A
Peak:m/z	Relative Intensity
53.03938	2.2
55.01870	2.4
55.05501	9.7
57.03420	4.9
59.00631	1.0
59.04987	5.8
61.02913	6.1
63.54370	1.1
65.03922	1.9
67.05483	7.3
69.03412	14.4
69.07062	8.8
70.82484	1.8
71.04977	3.7
73.02903	2.5
79.05482	10.8
81.03405	4.3
81.07038	24.4
83.04974	3.8
83.08613	6.8
85.02885	25.0
85.06516	4.9
87.04463	7.0
91.05463	12.9
93.07029	22.5
95.04964	6.0
95.08584	17.2
97.02875	7.9
97.06512	13.7
97.10149	4.5
99.04425	1.7
105.07010	17.7
107.04935	1.9
107.08573	100.0
108.08926	1.4
109.02864	2.5
109.06500	10.4
109.10133	9.6
111.08057	32.6
113.09602	1.3
119.08569	12.6
119.90285	1.2
121.06490	2.2
121.10111	12.5
123.08028	9.6
123.11691	1.8
125.09608	75.1
126.09949	2.0
127.03065	1.6
127.03853	6.1
127.11173	2.1
129.06967	1.3
131.08560	4.6
133.10112	5.7
135.07993	1.8
135.11656	7.7
137.09602	4.2
143.08598	3.1
143.10580	1.7
145.04955	3.1
145.10115	6.6
147.08041	1.7
147.11649	9.1
149.13226	26.5
149.82944	1.0
151.11147	3.3
157.10098	8.4
159.11658	10.0
161.09566	13.5
161.13235	1.8
163.11218	3.0
171.11682	1.8
173.13205	5.0
175.07574	1.0
175.11160	35.8
175.14749	10.7
176.11511	1.8
177.12720	5.2
177.16394	1.9
179.14339	1.2
181.04951	1.2
189.16318	8.6
193.15825	5.7
195.13806	4.7
199.14783	11.3
205.15822	3.3
217.13712	2.4
217.15825	49.2
223.16843	5.2
235.16876	50.3
251.39264	1.1
253.17955	13.6
255.41737	1.1
306.06293	1.1
309.80255	1.1
393.23547	1.0
409.58228	1.1
415.14136	1.2
415.23026	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26336	1.8
56.60246	1.9
67.21600	1.9
68.81548	1.7
70.39868	6.1
70.40260	4.7
80.15035	1.7
82.82358	2.0
83.79697	1.7
98.21436	2.4
98.58782	1.8
144.47809	2.6
417.07788	100.0
418.08066	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	417.079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01860	4.2
56.96558	24.5
57.03413	9.2
61.02915	6.7
69.03428	13.3
70.06569	7.3
70.76211	4.4
70.76546	4.8
71.04975	5.3
73.02892	7.5
74.63002	2.6
79.05479	6.6
81.03402	12.7
83.04948	4.4
84.96018	18.4
85.02898	30.9
86.09702	5.0
87.04476	5.0
91.05476	4.8
95.04908	3.0
97.02885	20.2
98.97578	33.1
99.04440	3.9
107.04977	7.8
109.02868	8.5
110.97541	17.5
111.04433	4.5
112.99134	5.0
116.98602	18.7
119.01894	9.1
123.04404	3.1
123.05521	14.1
124.03945	6.8
127.03921	7.7
128.02307	2.9
128.98561	24.3
131.00191	5.1
131.01903	6.9
133.03481	5.0
133.05020	3.9
134.99661	6.9
135.04422	6.3
143.00134	4.6
143.01897	5.0
145.03479	4.5
145.04956	6.9
146.99666	9.9
150.05457	3.9
152.05669	7.9
155.00027	3.3
155.01924	3.2
157.03413	4.8
158.99677	5.5
161.01247	6.8
161.02954	6.3
163.03880	3.2
165.05501	3.9
170.99626	7.0
171.05042	5.5
173.01184	3.4
173.02919	4.2
174.99132	11.6
175.02785	3.7
177.00728	5.7
178.04846	2.8
181.05006	9.7
181.25841	2.9
185.02824	2.9
189.00751	3.3
189.06099	4.6
190.05670	3.8
193.00275	3.6
199.02739	3.0
201.00710	3.9
206.99963	3.3
216.98792	3.2
219.01758	23.3
221.04916	5.3
227.02185	4.8
227.07594	3.5
227.54865	3.1
227.57137	3.0
229.06615	2.7
235.56419	4.7
237.00706	5.3
237.02808	32.3
255.01706	6.9
275.61270	3.1
297.02750	6.3
305.10858	8.7
321.10349	4.9
411.17633	3.0
417.07889	100.0
417.13409	4.6
418.08066	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	419.1695
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
53.03931	7.1
55.01859	6.3
55.05503	8.8
57.03419	12.3
57.26863	6.0
61.53414	5.5
66.77518	4.9
67.05490	9.1
69.03400	8.7
70.51753	12.6
70.52155	10.3
78.52493	6.8
79.05462	17.5
81.03401	21.6
83.08617	6.1
87.01003	4.9
91.05453	13.8
93.07025	9.9
95.00352	5.2
95.04942	11.3
98.98476	14.7
105.07005	11.9
107.04922	32.4
107.08540	8.6
109.02888	6.7
111.04411	7.7
115.05422	11.7
117.06967	10.6
119.08585	7.7
121.06413	6.7
123.04401	9.0
125.05978	6.3
131.08589	5.9
132.05750	6.2
133.06491	10.6
135.04381	5.6
135.11626	7.3
136.99924	13.5
137.05998	6.2
145.06461	16.5
153.05418	11.1
155.00984	15.7
156.05634	7.3
157.06444	7.7
159.08006	6.5
161.05959	12.7
162.06271	6.4
163.03683	6.6
163.11176	10.4
167.07014	100.0
168.07422	27.1
169.07487	7.4
173.05956	20.0
181.04994	34.8
182.05360	14.8
187.07498	6.5
190.06183	7.6
191.06953	12.7
205.08580	33.6
209.08040	8.1
217.08542	15.4
227.12659	8.3
235.09509	7.2
247.09789	8.0
269.08081	17.1
283.15405	7.0
307.09674	6.6
315.08551	62.5
330.10904	88.8
343.12036	7.5
351.12231	11.4
383.14899	16.4
401.15811	8.7
419.14120	13.0
423.13245	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	420.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	28.4
69.03432	72.8
70.06577	9.1
71.16883	15.0
71.17234	10.4
79.80930	6.8
81.03394	8.3
82.43241	6.4
82.52234	7.0
84.04523	10.9
85.02887	62.3
87.04469	50.8
91.05467	100.0
97.02887	71.0
107.04944	9.5
111.04395	8.0
115.03908	75.7
119.08556	8.5
121.10133	25.9
124.70283	7.0
125.05968	11.6
133.04959	82.4
137.05937	7.3
150.07591	19.9
167.07024	22.8
169.88570	7.7
177.54295	7.4
179.58151	7.8
182.05489	7.4
209.15276	10.5
223.09509	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01862	3.5
57.03427	28.0
60.04512	3.1
61.02915	10.1
65.03928	2.3
67.05486	5.1
69.03043	2.2
69.03423	38.8
69.38620	15.8
70.06575	6.4
71.01331	4.1
71.04971	4.0
72.08148	2.2
73.02908	53.7
79.05492	2.9
81.03387	5.4
81.07024	1.5
84.04469	3.1
84.08118	2.9
85.02895	57.0
86.09685	1.9
87.04444	10.3
91.05467	100.0
92.05801	2.0
93.07000	3.4
95.04932	2.2
95.08571	4.4
97.02882	66.7
99.04455	1.7
105.07001	4.4
107.04940	3.1
107.08571	2.9
109.02843	5.5
111.04357	2.2
115.03094	2.9
115.03918	51.0
117.06995	3.1
119.08533	3.1
120.08099	2.6
121.06429	1.7
121.10128	3.6
125.28076	1.6
127.03902	17.3
129.07042	1.4
131.08484	1.8
133.04941	20.6
133.06465	2.3
133.09981	2.4
135.04414	1.6
137.05983	2.7
137.09572	2.0
145.04936	16.0
145.06445	3.0
150.07616	3.8
159.08005	1.8
161.04428	2.2
162.02266	2.0
163.03854	5.4
163.05986	3.9
167.06979	7.2
171.07988	1.7
179.10678	1.7
183.48976	1.7
205.08633	2.8
209.05533	1.5
217.08730	2.0
223.06007	2.2
223.09567	3.8
241.05042	3.7
241.07152	4.0
253.10631	1.8
259.06168	5.4
295.10144	1.9
403.10324	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32256	0.8
53.03944	0.8
55.05489	1.6
57.03427	10.1
57.07064	0.9
59.04975	1.8
61.02887	0.8
67.05488	1.4
69.03422	8.9
69.07058	1.9
70.06586	0.7
71.20557	1.7
71.20900	1.3
72.08131	1.4
75.04069	1.0
75.04472	14.2
79.05503	1.6
81.03384	2.1
81.07026	2.4
83.04970	6.9
85.02899	11.1
91.05469	0.8
92.04990	1.2
93.07010	3.0
95.04926	1.0
95.08582	2.2
97.02866	3.3
97.06518	2.5
99.04447	1.7
105.07036	1.0
107.08557	1.2
109.02869	8.3
109.10126	7.1
110.06039	8.1
110.71591	0.9
111.08030	1.7
119.08533	1.9
121.10124	14.2
123.04424	1.8
123.08042	8.9
125.05967	6.5
127.03901	2.8
129.10211	0.8
135.11646	1.3
137.09601	13.3
138.05493	13.7
139.07520	5.9
139.11166	35.1
141.05421	2.8
153.12733	1.0
161.09608	1.8
163.11171	1.1
165.09076	8.5
167.07025	9.5
167.10681	7.5
177.12743	2.0
179.10680	3.4
181.04912	1.1
184.16745	0.8
185.08076	6.1
195.13759	0.9
197.11690	2.2
205.12138	1.5
223.13284	11.8
241.14326	100.0
242.14749	3.4
264.08661	4.1
420.13651	1.5
444.60498	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
53.33016	0.6
55.01868	0.9
55.05510	3.2
57.03430	1.8
57.07063	2.6
61.02922	1.1
65.03929	0.8
67.05497	8.7
69.03417	7.1
69.07060	7.7
69.53568	5.9
71.04984	1.8
79.05481	12.8
80.91884	0.6
81.03413	6.2
81.07045	100.0
82.07393	0.9
82.51698	0.6
83.08612	1.6
85.02895	9.2
87.00822	2.7
89.03928	0.7
91.05465	4.0
93.07038	4.5
95.04964	2.6
95.08596	19.0
97.02877	10.3
97.06521	15.1
98.98461	0.7
99.04445	2.2
105.01842	7.9
105.07016	3.0
105.39356	0.6
107.04967	1.6
107.08572	2.1
109.02880	3.3
109.10145	2.7
111.04402	0.7
115.05416	0.7
117.03355	1.3
117.06982	1.0
119.08561	2.4
121.06503	1.1
121.10123	2.0
123.04367	0.8
125.09618	0.7
125.66989	0.7
127.03896	9.4
129.06989	1.1
131.00386	0.6
131.08583	2.7
133.06462	0.8
133.10159	1.8
135.04393	1.7
135.11708	1.0
137.13231	20.2
141.06969	0.8
145.02835	1.4
145.04930	5.0
145.10101	1.9
147.04323	0.7
147.11679	1.5
148.12093	0.6
155.08487	1.0
157.10097	1.1
159.02887	1.4
159.04366	0.8
159.11688	1.4
161.02361	2.8
161.05939	1.0
161.13284	0.7
163.03897	9.5
165.05486	0.8
168.26544	0.7
168.81174	0.7
169.06441	0.8
169.10028	0.7
173.02322	6.0
173.11830	0.7
173.13258	1.3
175.11157	1.0
183.11702	1.4
185.13211	0.8
191.03368	1.8
193.12331	0.8
197.06108	0.8
197.13306	0.8
199.14838	0.9
215.07019	9.3
231.04977	2.0
241.08556	1.3
249.06052	1.3
259.09644	22.9
267.15952	1.3
329.21008	1.3
355.03174	0.7
403.14059	1.4
403.24881	1.6
420.24796	0.8
420.29581	1.2
421.14874	3.8
421.25903	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
53.41247	1.3
55.01869	5.7
55.05508	6.1
57.03428	26.9
65.03935	1.8
67.05492	26.0
69.03417	4.5
69.07063	8.1
69.67478	8.9
71.04986	2.9
73.02879	1.5
79.05480	31.1
81.03403	78.1
81.07043	30.6
81.71405	1.3
82.03720	2.0
83.04953	10.4
83.08613	16.7
85.02880	5.5
91.05466	52.6
92.05772	1.4
93.07030	19.8
95.04954	28.3
95.08578	13.5
97.02883	4.7
97.06499	7.8
97.10138	2.5
98.98450	100.0
99.04415	1.6
99.08055	1.5
103.03926	1.4
105.07009	28.7
106.07391	1.3
107.04955	11.5
107.08585	8.7
109.02925	1.8
109.06477	6.9
109.10138	3.6
111.04434	2.3
111.08058	8.2
115.05442	3.1
116.99528	3.0
117.07010	4.1
119.04987	1.9
119.08569	22.9
121.06493	3.6
121.10116	8.8
123.08052	3.4
129.05472	5.1
129.06982	16.6
131.08556	14.2
133.06459	3.9
133.10104	31.4
135.08046	1.3
136.99974	11.2
137.05960	4.8
137.09570	1.9
142.07785	3.1
143.08569	2.2
145.10112	5.4
147.08031	4.8
147.11671	26.3
149.09612	5.9
151.03870	1.8
151.11288	1.7
155.01009	67.9
157.10104	27.3
159.11678	2.9
163.03886	2.6
163.11160	2.4
165.12715	4.7
166.08664	1.4
167.07010	2.6
169.08670	2.2
173.02142	4.4
173.13228	1.6
175.11153	38.5
176.11526	1.6
177.12709	1.5
178.08583	2.0
181.04910	2.0
183.00565	6.7
185.13264	2.2
193.02629	1.5
193.12213	52.6
194.12682	1.3
205.12386	2.1
211.03659	5.1
211.13274	5.6
215.07019	4.7
217.30910	1.3
229.04666	3.8
231.13904	1.8
239.16429	4.9
249.14806	27.6
256.49011	1.4
259.09744	4.7
267.15881	91.6
268.16235	3.4
285.16864	2.0
289.15326	1.4
344.46735	1.5
347.12567	2.6
357.10611	1.8
391.07401	1.5
403.15005	18.2
421.15903	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	421.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.9
55.01852	2.3
55.05503	6.3
57.03430	16.4
59.05000	1.1
65.03923	1.1
67.05486	13.9
69.03418	6.5
69.07039	3.2
70.06573	2.8
70.38354	4.7
71.04972	2.7
79.05470	14.3
81.03402	98.8
81.07043	14.6
82.03716	1.1
83.04965	6.1
83.08611	13.0
84.08152	1.3
85.02894	5.5
85.06525	1.6
91.05468	18.6
93.07035	12.9
95.04954	31.0
95.08604	7.8
97.02884	6.2
97.06494	4.3
97.10130	1.7
98.98450	51.1
105.06997	15.3
107.04948	6.3
107.08559	6.8
109.02829	2.0
109.06490	4.5
109.10121	3.2
111.04413	2.3
111.08070	6.6
115.05441	2.4
117.06961	2.2
119.04908	3.8
119.08549	13.4
120.08036	1.4
121.06474	4.6
121.10120	15.8
123.04399	6.9
123.08028	2.1
123.11672	2.0
125.09618	2.2
127.03880	1.7
129.06987	9.6
131.04948	1.0
131.08562	10.5
133.06453	4.4
133.10120	5.0
135.08012	2.1
135.11607	1.8
136.99995	5.4
137.05972	2.5
137.09567	2.7
139.11159	6.2
141.06923	1.2
142.07724	3.2
143.08466	2.2
145.10103	3.9
147.04387	9.6
147.07997	3.9
147.11644	5.6
149.09564	5.7
155.01019	40.4
155.02298	2.2
157.10107	10.9
159.11690	2.3
161.02303	1.1
161.05917	1.9
163.03824	2.1
163.07458	1.7
163.11272	2.4
165.12729	2.8
167.10564	1.3
171.11644	1.7
173.13144	2.2
175.11150	9.3
178.08627	1.7
183.11755	1.2
185.13266	2.4
187.07399	1.2
193.12204	50.5
194.12511	1.4
199.14856	1.2
200.07039	1.5
203.14272	2.5
205.12247	2.1
211.03662	3.3
211.13115	1.2
212.23027	1.1
213.12695	1.5
215.06996	3.0
223.13289	1.2
228.06558	1.4
229.04770	1.3
231.13766	2.5
232.09642	2.5
237.14894	2.3
249.14798	6.5
259.09628	4.2
259.13345	2.0
260.09164	10.3
267.15866	100.0
268.16260	5.0
347.12515	2.7
403.15027	13.5
421.14807	5.1
421.19678	1.6
421.30783	3.8
422.14496	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07293	0.6
55.05503	0.6
56.05024	1.2
56.96540	0.6
59.06100	1.1
60.04514	10.5
60.05624	2.0
67.05471	0.8
68.05021	1.3
69.03410	1.6
70.06579	57.6
71.04977	6.3
71.58674	1.6
72.05625	0.8
72.08141	6.9
79.26653	0.6
79.98592	0.6
81.03389	0.7
81.07034	1.1
84.04506	0.7
84.08128	1.4
85.02881	2.5
85.07685	3.1
86.09683	1.2
86.54237	0.6
88.07654	0.8
91.05437	0.9
93.07031	1.8
95.04936	1.1
95.06076	23.6
95.08589	1.1
97.02875	1.7
97.06493	0.8
97.07634	4.7
98.06033	0.8
99.04432	0.7
103.05446	3.2
105.07039	1.3
107.08557	0.8
109.02855	0.7
111.09156	1.0
112.07597	4.9
112.08708	18.0
113.07104	2.8
114.10266	3.5
115.08674	27.3
115.09491	1.3
118.06490	0.7
120.08083	100.0
121.06568	0.7
121.08430	1.6
121.10137	0.7
123.51765	0.7
127.03882	1.5
130.06561	0.7
130.08818	0.7
130.09727	3.9
136.04726	0.7
137.05981	1.1
139.08673	4.0
139.09616	0.9
140.07112	1.5
140.08163	3.6
154.09747	3.0
157.09691	8.3
157.10847	0.9
158.09261	1.1
163.03830	0.7
166.08649	0.7
182.09227	2.8
199.11864	19.9
207.68755	0.7
208.06947	0.7
213.05469	0.9
217.13251	1.3
223.10727	17.6
227.62669	0.6
242.12868	1.4
244.14340	0.9
259.05911	0.8
259.15503	1.9
301.16287	0.8
318.19217	2.3
329.15964	1.9
346.18610	0.8
362.17361	2.1
364.19733	1.2
371.08746	0.7
386.18063	1.2
403.20599	0.9
421.21820	91.9
422.22028	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11237	1.8
53.03932	6.0
55.01630	2.2
55.01860	11.1
55.02100	2.5
55.05505	30.0
57.03432	12.8
57.07067	4.1
59.04984	3.9
65.03920	6.1
67.05134	3.9
67.05498	77.1
69.03424	20.1
69.07059	30.5
70.06577	2.8
71.04975	9.4
71.70410	2.2
79.05486	58.5
81.03400	20.9
81.07045	58.9
83.04977	13.5
83.08594	20.4
85.02893	5.9
85.06509	4.8
88.07625	2.6
89.03890	3.2
91.05467	58.9
91.06039	3.0
93.06440	1.9
93.07034	51.3
95.04955	59.3
95.08591	46.7
97.02881	24.0
97.06519	83.2
97.10146	13.6
98.06828	3.6
99.04459	5.3
99.08080	4.4
103.05453	3.2
105.03369	3.5
105.07011	38.7
107.04935	24.8
107.08572	34.5
109.06524	11.7
109.10140	35.9
111.04438	2.6
111.08063	6.3
112.99995	3.0
115.05469	2.8
117.03385	6.6
117.06995	23.6
119.04929	5.0
119.08565	41.6
121.06496	26.4
121.10117	22.2
123.08054	9.1
123.11678	4.4
125.09589	13.5
127.03844	3.5
128.06216	7.4
129.06981	19.0
131.04919	4.4
131.08565	29.3
133.06476	7.5
133.10101	24.6
134.03607	2.3
135.04399	13.4
135.08047	17.1
135.11687	11.9
137.09598	8.4
137.13191	3.2
139.07568	2.5
139.11194	5.5
141.07004	8.7
142.07756	4.4
143.08540	17.7
145.02838	7.6
145.06485	5.6
145.10106	31.3
147.04391	2.6
147.08005	10.3
147.11668	16.1
149.02400	9.4
149.09607	6.6
149.13245	3.9
151.11116	3.8
153.09105	3.0
155.08566	8.4
155.10570	2.0
157.06464	5.8
157.10075	18.1
159.04353	3.7
159.08022	6.7
159.11681	22.1
161.02295	15.8
161.05911	2.5
161.09601	11.2
161.13191	9.3
162.02890	2.5
163.03886	60.0
163.11154	12.7
164.04269	4.8
164.11537	1.8
165.09151	3.1
165.12770	3.4
167.08502	2.9
168.09413	2.6
169.02666	3.8
169.10054	11.3
171.08038	4.8
171.11681	12.5
173.02341	28.2
173.09639	3.9
173.11742	5.9
173.13274	9.8
175.11136	10.6
175.14793	5.9
177.12744	9.5
177.16402	2.1
181.10104	8.9
182.10889	2.4
183.11612	12.5
185.09621	5.3
185.13210	10.1
187.11201	6.3
187.14809	14.3
189.09140	5.7
189.11212	9.1
189.12704	5.3
189.16324	3.6
191.03387	5.3
191.17947	2.3
193.04944	11.0
193.10506	1.9
193.12238	8.2
194.10983	2.8
195.11717	6.4
197.13272	9.2
199.11166	8.4
199.14790	9.8
201.12750	6.6
201.16374	3.6
203.10641	12.2
203.12703	5.3
203.14340	3.8
203.17885	2.8
205.12247	6.6
207.11746	3.2
207.13623	2.9
209.09662	2.1
209.13326	5.4
211.11162	2.8
211.14816	6.6
213.12752	3.5
213.16391	5.4
215.07002	36.8
215.14316	4.3
215.17796	2.7
217.15790	4.7
221.13263	2.3
223.13013	3.5
223.14996	3.1
225.16393	3.7
227.14474	2.5
227.17870	2.8
231.13800	3.4
233.08031	2.3
233.15457	2.7
237.16597	3.3
239.17851	2.9
241.08566	4.9
249.14867	6.1
251.18106	2.7
255.17384	2.5
256.26343	4.8
259.09634	100.0
260.09955	9.8
265.19458	3.0
279.21393	1.9
283.20407	4.6
291.20914	2.1
293.18924	2.2
301.21722	10.4
301.24527	2.3
311.20016	17.1
319.22943	2.2
325.21536	2.8
329.21060	85.9
329.24454	3.8
330.21426	3.2
339.22919	2.6
347.22162	12.3
347.25797	2.6
367.22394	4.3
375.30310	3.4
385.23752	6.5
385.28500	2.9
403.13870	3.8
403.24802	45.0
403.29916	7.7
421.15158	12.9
421.25723	49.9
421.30844	55.3
422.15491	2.7
422.29221	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.8
55.01862	9.2
55.05500	24.4
57.03423	10.6
58.47726	1.4
59.04990	2.0
61.02932	1.7
65.03931	2.5
67.05493	55.1
69.03425	21.9
69.07053	25.0
70.06544	1.5
71.01330	2.2
71.04968	5.6
71.44238	3.4
73.02901	2.0
77.03893	1.7
79.05482	38.5
81.03406	26.3
81.07043	39.3
83.04973	9.6
83.08617	10.2
85.02888	11.6
85.06525	3.5
87.90916	1.7
89.03923	1.7
91.04915	2.9
91.05468	40.9
93.07032	32.7
94.07342	1.4
95.04953	40.0
95.08585	26.1
97.02880	24.1
97.06515	84.6
97.10136	7.5
99.04415	4.0
99.08062	1.9
101.02330	2.3
102.01905	1.5
104.21648	1.4
105.07010	28.4
107.04946	21.6
107.08577	21.1
109.02850	4.8
109.06505	7.4
109.10143	30.1
111.04408	1.9
111.08044	4.8
115.05459	3.7
117.03333	5.3
117.07005	17.2
119.08550	25.0
121.06480	15.8
121.10127	13.5
123.04407	2.1
123.08020	6.2
123.11671	3.2
125.09610	6.2
127.03864	3.8
127.07478	1.9
128.06190	5.6
129.06979	14.8
131.04869	3.2
131.08540	24.1
133.06464	3.4
133.10100	14.8
135.04417	12.0
135.08028	6.2
135.11652	8.0
137.05980	2.7
137.09589	4.6
139.11139	2.7
141.06935	7.6
142.07744	5.1
143.08539	12.2
145.02843	7.2
145.06447	3.8
145.10091	19.1
147.04333	2.5
147.08020	6.0
147.11667	11.5
148.67799	1.4
149.09534	4.8
149.13257	4.0
153.06950	1.5
155.08522	5.9
157.06447	4.5
157.10095	14.3
158.10454	2.0
159.04379	4.8
159.08012	4.2
159.11638	12.0
161.02298	12.7
161.05901	2.0
161.09593	4.8
161.13182	3.1
163.03885	46.6
163.11139	4.7
164.04242	4.0
165.07060	1.4
167.08549	4.3
169.06456	4.4
169.10048	7.3
171.07993	3.3
171.11650	7.7
173.02306	26.1
173.09586	2.8
173.11691	6.9
173.13232	6.8
175.11122	8.0
175.14812	4.3
177.12697	4.4
181.10101	3.6
183.11670	7.5
185.09541	4.3
185.13200	6.6
187.03888	2.1
187.07492	3.0
187.11119	2.7
187.14784	5.8
189.05412	2.4
189.09079	6.1
189.11159	4.0
189.12712	3.1
191.03381	6.2
193.04912	1.5
193.10457	1.6
193.12126	7.8
195.11644	3.3
197.05962	3.4
197.13228	4.3
199.11189	5.2
199.14825	3.7
200.04640	4.0
201.12691	4.2
201.16280	2.4
203.10609	6.1
203.12509	2.1
203.14330	3.2
207.02888	5.2
207.11710	1.6
211.14865	2.6
213.09053	4.6
213.12775	2.1
213.16296	3.2
215.06993	48.6
215.09016	2.5
215.17944	1.8
216.07364	2.9
217.12268	2.3
217.15938	1.7
219.13795	2.5
223.11217	1.8
223.13150	2.2
227.18121	1.6
231.13808	3.0
233.08000	3.6
233.15372	2.5
241.08429	3.9
241.48354	1.9
249.14833	5.9
259.09622	100.0
260.10074	8.6
262.68759	1.4
267.16132	2.2
269.12143	2.2
275.20096	1.9
281.18912	2.1
283.20474	2.9
287.19952	1.5
289.21579	1.8
301.21573	7.3
309.22040	1.6
310.15585	3.4
311.19916	8.3
319.22900	1.7
325.21478	1.9
329.21048	48.2
330.21555	2.2
330.71210	1.5
347.22098	5.1
357.24106	1.7
367.22482	3.7
385.23569	6.7
403.13721	6.6
403.24750	29.1
403.29584	2.7
404.24963	2.4
421.15091	14.4
421.25958	44.7
421.30939	9.9
422.26096	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	421.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.0
55.01865	2.8
55.05502	15.2
57.03415	2.8
57.03841	1.6
57.07052	4.5
59.04962	1.5
65.03930	3.4
67.05492	29.3
69.03416	8.0
69.07050	16.1
69.37907	16.3
70.06570	3.0
71.04967	6.1
74.43828	1.5
79.05478	28.5
81.03403	9.8
81.07043	40.4
83.04971	16.8
83.08600	8.3
84.04495	2.1
85.02890	5.0
85.06520	4.6
91.05456	39.9
93.07034	45.7
95.04953	14.5
95.08586	51.4
97.02865	8.9
97.06519	30.7
97.10125	2.8
98.21394	3.6
99.08070	4.8
103.05424	2.6
105.07018	64.8
107.04926	4.2
107.08582	51.3
107.09289	1.4
109.02847	6.6
109.06515	9.0
109.10138	26.3
111.08051	6.6
115.05394	3.4
117.06993	18.8
119.08562	68.4
120.08914	3.3
121.06448	6.9
121.10139	30.2
123.08073	8.7
123.11704	10.0
125.09590	6.4
127.07431	1.7
127.23466	1.6
128.06174	7.1
129.06995	13.9
130.07837	3.3
131.08540	47.2
133.06537	3.3
133.10114	34.8
134.10472	1.5
135.04384	3.5
135.08018	10.7
135.11679	15.4
137.05914	3.7
137.09566	5.4
137.13200	2.5
139.11154	2.1
141.06978	4.8
142.07745	10.4
143.08530	33.6
144.09244	3.3
145.02806	2.0
145.06403	3.4
145.10098	67.8
147.04359	3.6
147.08009	4.7
147.11649	30.0
148.07545	3.5
149.09619	8.2
149.13264	9.9
151.07565	1.8
151.11139	4.9
153.06935	2.2
154.07747	2.1
155.08516	12.5
156.09332	8.3
157.10098	38.7
158.10793	4.8
159.04396	1.9
159.08046	5.1
159.11678	58.4
161.02315	5.6
161.09583	5.2
161.13235	16.3
163.03918	12.6
163.07472	2.3
163.11118	5.9
163.14783	4.2
164.70921	1.5
165.07037	2.2
165.12737	1.9
167.08557	2.5
168.09314	4.3
169.06480	3.5
169.10086	16.1
170.10878	7.9
171.11667	32.8
173.02335	8.7
173.09602	5.5
173.13235	40.4
174.13615	1.8
175.03815	1.8
175.11136	7.3
175.14806	33.7
176.11949	1.7
176.15094	2.0
177.12770	8.7
177.16362	7.6
179.08499	2.0
179.14279	2.6
181.10144	7.6
182.10854	3.6
183.11664	24.6
184.12357	4.4
185.09560	1.7
185.13229	40.5
186.13693	2.5
187.07413	1.5
187.11169	8.5
187.14806	30.9
188.15170	2.2
189.12674	8.4
189.16382	9.6
191.14291	5.7
193.12178	2.0
194.10767	2.4
195.11682	10.6
196.12450	1.8
197.13278	11.0
198.13828	1.6
199.11012	1.9
199.14790	35.4
200.04655	2.1
201.12724	19.4
201.16342	22.4
203.10590	1.7
203.14230	12.1
203.17953	2.1
205.15866	6.2
207.11627	2.9
209.13264	9.6
211.14842	14.1
213.09062	2.5
213.12747	2.5
213.16350	11.6
214.08521	2.3
215.07014	15.7
215.14287	8.9
215.17860	4.7
217.15828	16.7
221.13289	3.5
221.15231	2.1
223.14784	6.2
225.16324	6.2
227.14174	3.5
227.17848	6.1
229.15820	7.7
229.19467	1.8
231.17456	3.0
233.07855	1.9
235.14877	3.5
237.16342	5.7
239.17903	5.5
241.15819	3.7
241.19388	3.9
243.17479	3.7
247.14833	2.5
249.16341	3.0
251.17894	5.5
253.19490	2.9
255.17329	2.7
257.18948	3.2
259.09641	33.6
259.20505	3.2
263.17935	1.9
265.19485	3.7
267.21014	2.3
269.18964	3.4
280.11749	7.1
281.17471	5.1
283.20557	3.4
289.19400	2.1
298.12778	2.6
299.05649	2.1
302.56702	1.7
309.21729	2.0
315.04947	5.6
316.05316	2.2
319.23981	2.5
331.08179	9.3
345.25696	4.3
349.25012	1.9
363.26898	9.8
375.30438	4.8
385.28796	2.7
391.29895	3.5
393.31442	4.4
403.13879	2.4
403.24985	3.2
403.29834	27.4
404.29810	2.4
421.11020	7.3
421.25732	16.3
421.30878	100.0
422.31421	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	422.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84400	7.9
60.04506	24.7
60.50959	7.8
61.66930	7.2
64.31711	8.8
69.03422	25.0
70.06565	7.9
71.69834	14.6
72.04497	12.7
74.06061	20.8
76.03991	55.4
76.07626	10.5
79.05479	19.4
79.33132	6.6
80.04996	8.3
81.03387	19.4
81.07040	11.1
83.04942	17.1
84.04520	9.5
84.66122	6.8
85.02876	48.5
86.06021	8.9
91.05489	8.1
93.07021	15.0
94.06525	15.5
95.04939	27.9
96.58944	8.8
97.02866	19.2
97.06490	11.9
103.05495	8.0
103.64604	7.7
105.07007	14.3
107.04908	13.4
108.08073	10.9
108.33374	8.1
109.02844	15.5
109.06520	39.3
110.06045	14.5
111.04441	12.1
113.02271	8.3
119.04926	10.2
121.06479	34.2
122.05996	20.3
122.09623	14.2
123.04406	30.1
124.07566	12.3
125.05905	16.7
126.05493	15.9
129.92242	7.2
129.96690	7.4
132.08067	10.6
133.06506	11.0
134.06026	8.0
135.04404	12.6
136.07556	29.7
137.05942	30.6
139.03864	11.9
140.07057	12.2
146.05936	14.6
147.04391	8.6
148.07550	9.0
149.05952	100.0
150.09138	26.8
152.07025	25.2
153.05446	21.8
156.08794	8.3
160.07574	22.9
161.05899	16.6
164.07030	31.3
165.05446	59.9
166.05858	12.6
166.08682	8.2
167.07025	41.9
168.10262	8.0
178.08632	54.6
179.06923	9.5
181.04950	8.6
182.08174	8.8
183.06519	23.6
188.07095	8.4
190.08537	8.9
196.09631	37.1
204.08635	17.4
206.08083	43.5
206.09947	18.6
207.06667	7.8
207.08459	34.7
208.09650	10.3
214.10617	13.1
222.09645	14.3
224.09131	70.6
225.14716	16.0
226.10672	14.8
242.10172	87.5
244.11687	9.1
260.11298	24.5
403.35147	7.8
422.16486	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	422.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.3
55.01862	3.3
55.05488	1.8
56.05025	4.8
56.96550	1.0
57.03422	3.9
58.06587	6.3
61.02913	3.0
65.03922	2.7
67.05481	5.8
68.05008	3.9
69.03417	13.4
69.82273	3.8
69.82682	3.0
70.02941	3.7
70.06580	2.4
71.01348	2.7
71.04989	1.6
72.04511	1.5
73.02896	2.7
74.06066	16.6
79.05479	14.0
80.05002	1.9
81.03407	12.0
81.07056	5.2
82.06553	4.5
83.04977	8.1
84.04501	8.5
85.02893	20.7
86.06053	17.4
87.04464	2.3
91.03963	1.3
91.05446	5.7
93.03389	2.9
93.06992	1.6
93.40182	1.0
94.06556	6.9
95.04954	14.5
96.04493	1.8
96.08110	3.0
97.02871	10.2
97.06512	1.5
98.06052	3.2
98.21422	2.0
98.97575	2.8
99.04453	2.8
99.06816	1.4
100.02193	2.7
100.04037	1.0
105.07013	3.5
106.06571	2.0
107.04957	9.3
107.07289	1.2
108.04444	1.3
108.08080	5.7
109.02861	4.2
109.06473	4.7
110.06035	4.0
110.97582	1.4
111.04433	8.7
116.54646	0.9
116.98586	1.9
117.05737	3.1
119.01876	1.1
119.04931	2.4
120.08089	3.5
121.06493	1.6
122.06001	4.7
122.09650	5.8
123.04404	10.9
124.07573	4.5
125.05989	2.4
126.05497	1.2
126.09151	2.1
127.03856	5.3
128.07051	1.0
130.96353	1.1
132.08064	5.8
133.06482	3.1
134.05962	1.9
135.04424	6.7
136.07552	6.6
137.05959	3.0
139.03893	3.5
140.07088	1.0
140.10733	1.1
141.05521	2.2
143.01863	2.1
145.04945	2.6
146.02655	3.9
148.07515	3.2
150.09132	13.8
151.03860	1.5
152.07057	2.7
153.05463	4.1
154.08560	2.1
158.99553	1.4
160.07509	5.3
161.02998	1.2
161.05983	1.8
163.03819	1.7
164.00534	1.0
164.07059	2.6
166.08606	2.1
167.07022	1.2
168.10162	3.0
171.06512	2.5
176.07138	1.6
178.08598	12.1
180.06508	2.4
181.04903	2.7
183.06471	3.3
188.07088	2.3
189.05588	1.2
196.09657	28.1
196.11389	1.9
198.07578	21.4
198.11191	2.4
199.05986	4.2
199.07687	1.2
204.08754	1.4
206.08107	3.5
206.10100	1.9
214.10730	15.6
216.08607	2.6
221.05086	1.1
224.09152	13.6
226.10733	5.6
242.10199	100.0
243.10553	4.8
244.11819	3.8
260.11285	10.3
293.10751	1.1
404.15402	7.3
422.16571	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.8
54.37295	0.5
55.05495	1.2
56.05021	2.6
57.03434	0.6
67.05483	2.0
69.03426	1.4
69.07060	2.0
71.05012	0.6
71.34131	1.0
74.06072	9.6
79.05479	2.0
81.03415	1.0
81.07036	2.9
83.04958	1.1
84.04490	2.6
85.02885	1.8
86.09692	100.0
87.10036	2.3
91.05468	3.3
93.07034	2.8
95.04971	0.9
95.08580	3.5
97.02821	1.2
97.06524	1.6
98.06075	0.8
101.06554	0.6
102.05531	1.0
103.05406	1.1
105.06997	3.8
107.08582	3.5
108.08904	0.8
109.02870	0.9
109.10156	1.3
112.11150	0.6
116.07075	0.7
119.08547	4.7
120.08096	12.9
120.08884	0.9
121.10147	2.2
122.10404	0.8
123.74953	0.6
126.05495	4.5
130.04951	1.0
131.08559	2.7
133.10117	2.7
135.11693	0.8
139.12288	0.8
143.08574	0.9
145.02783	0.9
145.10081	3.2
147.11681	1.6
148.06035	2.1
149.13234	1.6
157.10138	1.9
159.08017	0.7
159.11699	2.0
161.13297	1.3
163.03917	1.3
164.04210	1.1
166.08597	5.7
169.10008	0.9
169.12416	0.7
171.11659	1.2
173.13272	2.9
174.13495	0.9
175.14775	1.3
177.05447	1.2
185.13281	1.4
187.14809	2.7
189.16408	0.8
195.11188	3.2
197.13170	0.7
199.14795	1.2
201.16365	1.1
211.14563	1.4
239.13875	10.9
250.18077	0.7
260.09891	1.4
261.22141	0.8
271.75787	0.7
279.16959	9.0
356.83203	0.7
360.19287	0.9
405.31357	1.1
422.26312	0.8
422.31174	3.0
423.19736	1.1
423.32462	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	15.7
53.18003	7.0
55.01875	8.1
55.05499	10.1
57.03400	8.1
59.60154	6.2
60.04490	6.3
65.75172	6.3
67.05486	10.9
69.03413	23.5
69.55976	5.8
70.06571	28.5
70.55455	6.1
70.93694	9.0
70.94031	16.1
71.04967	13.8
72.08115	7.1
79.05466	23.6
81.03409	47.7
81.07037	19.6
83.04985	6.3
83.08612	9.2
84.04458	9.7
84.08109	17.7
85.02892	40.3
86.09687	13.8
87.04418	6.9
91.05466	21.6
91.72243	6.4
92.29916	5.9
93.07017	23.5
94.77814	5.6
95.04939	32.3
95.08580	18.9
97.02864	23.2
97.06482	10.1
99.04441	8.2
102.05526	7.4
105.07022	24.2
107.04957	9.1
107.08572	25.3
109.06499	13.7
109.10123	9.1
111.04434	8.5
111.08050	6.6
113.05962	6.5
117.07011	10.4
119.08563	21.8
120.08045	6.5
121.06495	7.4
121.10103	25.3
123.08058	32.9
127.03880	13.0
129.10283	8.6
131.08553	16.1
133.10075	9.8
138.09090	6.2
143.08632	8.1
145.04988	6.3
145.10091	9.3
147.11639	35.4
149.09579	21.3
151.07524	18.4
156.08104	6.7
159.11705	10.5
163.03871	8.3
163.11081	6.8
165.12723	26.3
169.08560	8.5
171.11598	13.2
174.09152	9.8
189.12695	22.1
207.13780	100.0
211.14340	6.5
225.14821	19.7
242.13707	8.5
242.17342	7.6
243.15869	10.5
261.12366	10.4
273.03851	33.4
290.09531	7.1
303.04910	21.0
342.92950	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	423.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.05500	0.9
56.05019	0.9
56.96539	5.1
57.02269	1.0
58.99841	1.0
61.02922	1.6
67.66815	0.8
69.03409	4.9
69.84251	5.6
70.06577	1.3
71.04966	0.9
73.02909	1.6
73.06542	1.2
77.00890	1.0
78.99962	0.9
79.05484	2.7
81.03397	5.5
81.07043	1.7
82.99831	1.3
83.04963	1.2
84.04479	1.2
84.08121	1.9
84.95970	0.8
85.02887	7.8
87.04441	1.2
91.05479	1.6
94.06631	0.8
94.99875	1.0
95.04966	2.6
97.02878	6.3
98.97551	9.6
99.04436	1.0
101.00857	9.1
103.02444	1.0
105.00353	1.3
107.04938	1.7
109.06545	0.9
110.97621	1.0
111.04401	2.0
113.00853	3.2
113.94950	0.8
115.02438	2.4
115.03936	0.8
116.98593	6.7
119.01895	31.2
119.04893	1.2
121.03423	0.9
121.06538	1.4
123.04438	1.5
127.02445	0.9
127.03905	1.9
128.98579	2.5
129.03951	2.3
131.01884	20.9
131.05537	6.5
133.03435	6.6
134.99663	2.5
137.00851	1.5
137.02916	4.1
137.05942	1.9
142.03462	1.4
143.00189	1.9
143.01869	43.2
144.02052	1.2
145.03403	6.5
146.99648	2.5
147.01369	2.1
147.03227	1.6
147.05070	5.0
149.02953	3.9
149.06604	11.4
151.04517	0.9
155.01865	21.5
155.05496	2.8
156.02617	3.2
157.03465	2.3
158.99640	3.5
159.05029	4.2
161.02927	63.2
162.03078	1.3
163.02771	1.3
163.04420	1.1
165.06017	1.1
167.05536	1.0
167.06979	1.0
169.07100	1.2
170.99631	1.1
171.05032	2.8
172.04327	1.0
172.08136	1.2
173.02940	21.1
173.06564	30.4
174.06741	1.1
175.04466	2.1
175.08109	1.3
177.00719	5.3
177.06050	4.5
179.04053	1.2
183.06436	1.0
184.04512	4.3
185.02994	1.8
185.06561	36.5
186.06839	1.7
187.08104	7.2
191.07605	12.5
196.04599	1.5
197.06590	2.5
199.08124	3.1
200.04465	1.4
201.00774	1.3
201.06082	2.3
203.03973	6.0
203.07608	20.8
205.03821	0.9
205.09219	1.7
215.07591	12.9
216.25575	0.9
217.09358	1.0
219.01701	5.3
219.05119	1.2
219.07207	1.2
221.05016	22.5
226.05841	0.9
226.08928	1.7
226.10847	1.7
227.07623	4.6
233.08694	4.9
237.02766	6.3
242.07458	1.4
242.10175	1.3
243.10652	1.9
244.11705	1.3
245.05176	1.1
257.08701	5.5
259.06818	0.9
275.09714	41.5
276.10049	1.9
279.03973	1.1
282.06680	2.2
287.17587	0.9
293.10754	100.0
294.10959	3.1
309.08478	4.6
316.12231	4.4
335.11865	4.5
337.08087	0.9
347.11661	1.4
373.09811	1.8
400.61893	1.0
405.12360	17.7
406.12469	1.1
423.13419	56.6
424.13440	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	423.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61478	0.9
53.03925	2.4
55.01855	2.4
55.05502	10.5
55.79873	0.9
57.03430	15.9
57.07084	1.9
58.08281	1.0
63.26341	0.9
65.03925	1.4
67.05495	50.4
69.03401	2.0
69.07051	12.4
69.49081	4.9
69.49509	3.7
71.04987	3.0
72.49728	0.8
79.02946	0.8
79.05481	24.7
81.03411	5.5
81.07043	49.6
82.07382	1.0
83.04976	6.3
83.08604	10.2
84.78761	0.9
85.02876	1.1
85.06532	3.2
91.05470	19.9
93.07030	36.9
94.13234	0.8
95.04958	8.6
95.08588	26.2
97.02869	1.4
97.06505	8.2
97.10156	1.7
98.06821	0.9
98.98452	100.0
99.08053	4.6
103.05420	0.9
105.07009	18.8
107.04897	1.8
107.08578	27.1
109.06480	5.3
109.10144	19.0
111.08047	4.9
113.05979	1.1
115.05428	0.8
116.06169	1.1
116.99512	2.7
117.07000	9.8
119.08562	20.8
121.06497	3.4
121.10131	16.9
123.08046	2.9
123.11723	5.6
123.12495	0.9
125.00062	1.3
125.02808	0.9
125.09594	1.5
128.06189	1.4
129.06979	2.5
130.07730	0.9
131.08556	17.4
133.10110	16.5
135.08060	2.8
135.11668	8.2
136.99991	4.6
137.09613	2.0
139.11107	1.4
140.75447	1.0
143.08565	5.1
144.09357	1.3
145.10117	13.9
147.08057	1.2
147.11664	9.7
149.09538	1.1
149.13232	23.9
151.11159	1.6
155.01018	65.9
155.08505	1.4
155.10561	0.9
156.09340	1.8
157.10088	5.0
158.10771	1.1
159.11673	24.4
161.09682	1.1
161.13235	5.5
163.11122	1.7
163.14806	3.4
165.12759	1.2
168.09380	0.8
169.10141	2.5
171.11632	4.5
173.02156	1.7
173.09445	1.0
173.11725	3.1
173.13258	13.6
175.11201	1.0
175.14780	5.8
177.12724	21.7
177.16310	1.9
178.13083	1.5
183.11674	2.6
185.13185	6.4
187.14815	11.5
189.12762	1.5
189.16391	4.0
191.14291	5.6
193.02551	2.0
195.12045	2.0
195.13776	14.1
197.13142	1.9
197.73622	0.8
199.14806	2.1
201.16364	8.6
203.14279	2.3
203.17903	1.4
203.61865	0.9
205.15869	1.9
208.82951	0.9
211.03668	2.0
211.14792	1.5
213.14665	1.2
213.16478	2.3
215.14299	1.8
215.17978	1.8
217.15804	1.2
221.15326	3.5
225.16437	1.3
227.18034	1.4
229.04715	2.4
233.15298	2.0
251.16368	25.2
251.18823	1.8
252.16769	1.5
261.10254	1.5
269.17447	35.1
270.17773	2.0
349.14066	4.1
387.15335	1.4
405.16620	9.7
405.26065	1.0
405.31372	4.4
423.17365	1.5
423.22293	1.4
423.27264	6.8
423.32538	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61478	0.9
53.03925	2.4
55.01855	2.4
55.05502	10.5
55.79873	0.9
57.03430	15.9
57.07084	1.9
58.08281	1.0
63.26341	0.9
65.03925	1.4
67.05495	50.4
69.03401	2.0
69.07051	12.4
69.49081	4.9
69.49509	3.7
71.04987	3.0
72.49728	0.8
79.02946	0.8
79.05481	24.7
81.03411	5.5
81.07043	49.6
82.07382	1.0
83.04976	6.3
83.08604	10.2
84.78761	0.9
85.02876	1.1
85.06532	3.2
91.05470	19.9
93.07030	36.9
94.13234	0.8
95.04958	8.6
95.08588	26.2
97.02869	1.4
97.06505	8.2
97.10156	1.7
98.06821	0.9
98.98452	100.0
99.08053	4.6
103.05420	0.9
105.07009	18.8
107.04897	1.8
107.08578	27.1
109.06480	5.3
109.10144	19.0
111.08047	4.9
113.05979	1.1
115.05428	0.8
116.06169	1.1
116.99512	2.7
117.07000	9.8
119.08562	20.8
121.06497	3.4
121.10131	16.9
123.08046	2.9
123.11723	5.6
123.12495	0.9
125.00062	1.3
125.02808	0.9
125.09594	1.5
128.06189	1.4
129.06979	2.5
130.07730	0.9
131.08556	17.4
133.10110	16.5
135.08060	2.8
135.11668	8.2
136.99991	4.6
137.09613	2.0
139.11107	1.4
140.75447	1.0
143.08565	5.1
144.09357	1.3
145.10117	13.9
147.08057	1.2
147.11664	9.7
149.09538	1.1
149.13232	23.9
151.11159	1.6
155.01018	65.9
155.08505	1.4
155.10561	0.9
156.09340	1.8
157.10088	5.0
158.10771	1.1
159.11673	24.4
161.09682	1.1
161.13235	5.5
163.11122	1.7
163.14806	3.4
165.12759	1.2
168.09380	0.8
169.10141	2.5
171.11632	4.5
173.02156	1.7
173.09445	1.0
173.11725	3.1
173.13258	13.6
175.11201	1.0
175.14780	5.8
177.12724	21.7
177.16310	1.9
178.13083	1.5
183.11674	2.6
185.13185	6.4
187.14815	11.5
189.12762	1.5
189.16391	4.0
191.14291	5.6
193.02551	2.0
195.12045	2.0
195.13776	14.1
197.13142	1.9
197.73622	0.8
199.14806	2.1
201.16364	8.6
203.14279	2.3
203.17903	1.4
203.61865	0.9
205.15869	1.9
208.82951	0.9
211.03668	2.0
211.14792	1.5
213.14665	1.2
213.16478	2.3
215.14299	1.8
215.17978	1.8
217.15804	1.2
221.15326	3.5
225.16437	1.3
227.18034	1.4
229.04715	2.4
233.15298	2.0
251.16368	25.2
251.18823	1.8
252.16769	1.5
261.10254	1.5
269.17447	35.1
270.17773	2.0
349.14066	4.1
387.15335	1.4
405.16620	9.7
405.26065	1.0
405.31372	4.4
423.17365	1.5
423.22293	1.4
423.27264	6.8
423.32538	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.05505	12.0
57.03421	4.0
57.07065	4.8
58.35281	1.0
59.04978	1.9
60.16540	1.0
60.21848	1.1
65.03929	1.3
67.05498	22.6
69.03429	1.4
69.07064	14.9
71.04982	1.5
71.08612	3.5
71.16724	3.2
75.93795	1.1
78.41759	1.2
79.05479	13.3
81.06601	2.2
81.07047	30.6
81.32065	1.0
83.04980	3.4
83.08608	6.8
84.57550	1.2
85.06549	2.6
91.05472	11.7
93.07029	23.0
93.74956	1.1
95.04952	3.2
95.08592	39.7
97.02879	1.9
97.06520	4.0
97.10172	4.0
99.08069	2.7
105.07014	17.2
107.08581	27.7
108.08905	1.5
109.06505	16.9
109.10142	20.8
111.08069	2.8
115.05348	1.1
117.07018	4.3
119.08566	22.2
121.10128	17.8
122.07279	2.1
123.08048	43.3
123.11685	8.9
129.06967	2.5
131.08551	8.5
133.10120	14.9
135.08014	9.7
135.11679	10.8
137.09610	4.6
137.13237	2.5
139.11136	1.9
142.17763	1.1
143.08551	3.5
145.10104	13.0
147.11644	10.8
149.09618	3.9
149.13248	7.2
151.14767	1.3
155.08549	2.2
157.10149	4.8
159.11670	12.1
161.13254	9.3
163.11189	2.5
163.14830	3.7
165.12711	1.3
169.10101	2.0
171.11668	5.3
173.11816	2.5
173.13269	7.8
175.14807	5.0
177.12787	2.7
177.16377	4.2
179.14278	59.3
180.14679	1.3
183.11705	3.3
185.13278	3.9
186.14125	1.1
187.14807	5.7
189.16405	5.4
191.14391	2.2
191.17957	4.1
193.15898	1.7
195.99367	1.3
197.13202	2.2
199.14816	2.5
201.16412	6.7
203.17940	4.4
205.15923	3.9
213.16287	2.2
215.17958	6.1
216.76926	1.3
217.19496	3.3
225.16399	1.3
227.17871	1.3
233.18904	2.0
241.19630	1.9
243.20984	2.6
259.20825	1.2
267.20935	2.0
269.22586	2.0
275.20026	2.9
293.21021	1.6
297.25632	1.4
303.26932	3.6
331.26306	31.6
332.26721	2.6
349.27335	8.8
365.28479	1.8
405.30573	3.1
405.35187	4.8
423.31076	100.0
423.36295	19.8
424.31549	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	423.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60344	1.3
53.03940	1.8
55.05498	9.9
57.03411	2.5
57.07049	2.2
57.41324	1.4
59.04974	1.7
60.83162	1.3
62.90121	1.3
67.05489	28.4
69.03397	5.1
69.06752	1.9
69.07057	19.3
70.21898	7.6
71.04961	2.5
78.46294	1.4
79.05482	14.2
81.07043	35.3
83.04929	1.5
83.08601	8.7
83.09010	1.7
84.08176	1.6
85.06512	3.0
86.23088	2.0
88.04505	1.4
91.05006	1.4
91.05463	15.2
93.07028	28.0
95.04935	4.0
95.08015	1.9
95.08593	36.0
97.06495	3.8
97.10124	5.4
99.08061	3.8
105.07009	22.6
107.08578	39.0
109.06475	3.0
109.10142	31.3
111.08035	5.3
111.11682	1.6
113.05963	1.6
115.05418	1.5
117.06963	5.6
119.04841	1.8
119.08554	34.5
121.10120	26.9
123.07987	5.8
123.11713	10.3
125.09583	1.7
127.41211	1.3
128.06200	1.8
129.06935	2.6
130.45268	1.4
131.08531	12.4
133.06480	1.9
133.10123	22.9
135.07974	4.8
135.11678	17.2
136.11937	1.7
137.09578	2.2
137.13203	2.7
143.08530	7.6
145.06441	3.7
145.10077	18.3
147.08015	4.5
147.11638	16.8
149.09512	2.2
149.13240	14.9
155.08446	2.7
157.09042	1.4
157.10094	13.0
158.10782	2.1
159.07988	5.2
159.10568	1.9
159.11676	24.3
161.09561	3.9
161.13232	12.4
163.11087	3.4
163.14774	9.8
165.12660	4.4
169.10014	4.8
171.11668	11.9
173.11833	2.6
173.13223	23.9
175.11098	3.2
175.14874	9.1
177.12633	4.4
177.16287	4.7
179.14206	4.9
181.10054	2.2
182.10825	1.6
183.11586	5.6
185.13290	9.9
187.14854	9.1
189.12640	6.0
189.14668	2.6
189.16351	41.9
191.14247	9.4
191.17871	4.2
195.11748	3.2
195.13574	1.9
197.13258	8.1
199.11118	4.2
199.14793	8.5
201.12729	10.5
201.16356	8.3
203.14183	5.6
203.17825	2.9
205.15776	6.3
207.17331	2.0
209.13148	3.8
211.14706	4.3
213.16196	6.1
215.14297	17.2
215.17751	4.4
217.15840	10.6
217.19302	1.8
219.17358	4.2
223.14735	2.5
225.12642	2.0
225.16322	3.6
227.14194	6.2
227.17830	3.5
228.14966	1.8
229.15730	4.6
229.19414	4.7
231.17340	5.1
239.17915	3.8
241.15724	5.0
241.19377	3.4
243.17332	9.6
243.20979	3.6
245.19008	1.7
252.15074	2.7
253.15747	2.7
253.19566	1.9
255.17393	10.1
257.18976	7.7
259.20206	1.5
267.17273	14.0
267.20944	2.5
269.18878	9.8
269.22482	6.1
271.20544	9.3
271.24335	1.7
273.03723	2.1
281.18829	5.7
283.20621	7.6
283.23730	2.2
285.21988	5.5
297.22040	2.4
309.21973	3.2
321.21738	2.5
328.51724	1.7
331.26099	2.4
335.23529	3.7
337.25290	1.8
371.95013	1.6
387.29996	1.7
405.26559	2.7
405.31265	26.0
423.32175	100.0
424.32599	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.05494	14.6
57.03420	2.0
57.07050	3.6
60.69515	1.7
67.05492	36.2
69.03408	3.5
69.07050	19.3
69.63554	12.0
69.63964	3.3
71.04990	2.4
77.03924	1.7
79.05482	26.9
81.07044	48.9
83.08592	9.4
83.46981	1.5
84.60078	1.5
85.06518	3.1
85.88529	1.9
91.05470	29.6
93.07029	53.8
95.04935	6.8
95.08001	3.9
95.08588	63.4
97.06494	4.1
97.10154	3.3
99.08089	15.1
103.05445	3.8
105.07010	91.8
107.08576	74.5
109.06495	5.9
109.10146	38.6
111.08042	6.1
115.05391	1.9
117.06994	17.1
119.08556	100.0
120.08892	1.9
121.06451	2.5
121.10129	36.9
123.08049	3.9
123.11697	12.0
125.09624	9.7
126.56583	1.7
128.06203	4.2
129.07025	9.0
130.07733	5.5
131.08539	84.0
131.20131	1.7
132.08842	2.3
133.10106	52.5
135.08041	4.4
135.11664	17.9
137.09613	5.0
137.13181	2.5
142.07756	6.9
143.08528	21.4
144.09280	5.2
145.10104	64.2
147.11670	41.4
149.09592	3.5
149.13234	26.6
151.11136	2.1
155.08531	7.4
156.09320	7.9
157.10110	27.4
158.10864	9.1
159.08031	2.0
159.11676	54.8
161.09599	5.5
161.13234	23.3
163.11143	5.5
163.14830	17.8
165.09100	2.8
169.10089	9.5
170.10863	8.0
171.11642	21.2
172.12285	2.5
173.13237	92.5
174.13728	2.4
175.11130	3.7
175.13383	3.2
175.14793	32.6
177.12613	2.6
177.16380	10.4
181.10132	3.3
182.10880	2.0
183.11641	8.8
185.13229	30.8
186.13591	2.3
187.14780	56.8
189.12772	5.4
189.16342	18.2
191.14268	7.2
193.10277	1.9
193.15866	3.0
195.11604	6.0
195.13568	2.1
196.12399	2.7
197.13216	7.5
199.14821	14.7
201.12683	6.3
201.16353	52.7
201.18167	3.6
203.14319	26.5
203.17928	13.9
205.15866	6.1
209.13266	3.4
211.14809	9.5
213.16371	10.5
215.14302	6.0
215.17924	7.3
217.15843	5.7
217.19553	3.5
219.17404	2.7
221.13284	4.3
221.15321	35.2
223.14734	3.3
225.16360	6.1
227.17912	6.0
229.15829	4.4
229.19553	3.8
231.17444	2.0
237.16331	4.2
239.18011	2.9
241.19505	3.8
243.17502	3.8
245.18976	2.3
251.17885	2.2
255.21039	4.2
259.16690	2.0
265.19348	3.4
273.03986	2.0
277.19470	2.3
283.20508	3.3
291.21011	2.0
293.22470	3.1
326.22873	2.2
333.25632	3.8
345.25467	2.4
349.25507	2.0
351.26590	11.6
365.28552	4.4
377.31836	2.6
387.30493	5.7
405.31433	22.6
406.31631	2.7
423.27603	5.2
423.32501	91.7
424.32541	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	423.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01860	1.5
55.05503	12.9
57.03424	2.6
57.07059	4.1
65.03919	2.5
67.05494	24.8
67.81687	1.2
69.03420	23.4
69.06676	2.2
69.07054	18.4
69.67029	7.4
69.67436	2.7
70.59002	1.4
71.04984	4.0
74.22803	1.4
79.05480	18.7
81.03402	6.9
81.07045	41.0
83.04971	3.9
83.08590	7.1
85.02879	4.8
85.06535	3.5
87.04502	1.7
91.05469	22.8
93.07034	38.4
95.04406	1.3
95.04939	6.5
95.08594	57.4
97.02892	1.6
97.06527	6.9
97.10142	2.5
98.98431	7.8
99.04475	1.6
99.08087	4.3
103.05468	1.4
105.07012	70.9
107.08579	49.9
109.02865	6.5
109.06493	5.7
109.10138	27.5
111.04426	1.9
111.08068	4.1
113.09622	1.8
115.05416	3.3
116.06259	1.6
117.07007	11.2
119.08562	100.0
120.08871	1.8
121.06501	7.1
121.09258	2.1
121.10124	33.3
123.08051	6.3
123.11686	7.7
125.09615	2.0
127.03888	3.4
128.06184	2.4
129.07007	7.9
130.07738	4.4
131.08548	74.1
133.06496	2.2
133.10115	43.6
135.08035	6.8
135.11670	18.5
137.09601	4.8
137.13248	1.8
141.07002	3.2
142.07785	5.2
143.08536	20.2
144.09306	4.7
145.10100	81.2
146.10594	1.6
147.08017	4.4
147.10570	2.2
147.11678	30.2
149.09584	4.9
149.13234	19.5
153.09096	2.4
155.01056	7.4
155.08537	2.6
156.09334	7.4
157.10097	23.0
158.10889	9.5
159.08066	2.3
159.11667	56.4
161.09628	6.6
161.13260	22.3
163.11150	4.6
163.14775	15.1
165.12712	1.6
169.10127	4.8
170.10858	5.1
171.11659	19.2
172.12462	4.3
173.09758	2.3
173.13239	77.7
174.13724	2.5
175.11226	4.0
175.14790	34.0
176.11934	2.5
177.12761	6.0
177.16336	9.1
181.10040	2.1
183.11658	9.0
184.12083	1.6
185.13239	22.6
186.13890	1.9
187.14796	95.2
188.15080	1.5
189.12703	4.9
189.16351	17.0
191.14282	66.7
195.11621	1.8
197.13263	6.6
199.14806	16.5
201.16356	86.9
202.16713	2.5
202.93413	1.5
203.14310	21.9
203.18037	11.3
205.15901	8.0
209.13223	2.3
211.14845	4.6
213.16364	9.8
215.14285	2.7
215.17856	7.7
217.15997	2.8
217.19522	2.9
221.13310	2.2
221.15315	28.9
223.14819	2.4
223.16850	2.2
225.16281	3.9
227.17952	6.3
229.15897	2.5
229.19513	4.1
231.17351	2.2
233.15376	1.7
237.16238	1.9
239.17995	4.2
241.19475	4.6
243.17462	2.3
243.21036	4.1
249.18584	1.8
251.16289	2.7
253.19595	1.8
255.21092	2.2
259.20477	1.8
261.22186	1.9
265.19519	2.1
267.21140	1.6
269.17401	2.8
277.19339	1.5
279.21127	2.4
293.22589	2.2
351.26776	2.8
365.28375	5.0
375.30182	2.6
377.32169	1.8
387.30499	4.1
405.16357	2.1
405.31479	19.1
423.32523	74.5
424.32715	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.05499	13.7
57.07065	3.2
65.03928	3.3
67.05492	21.5
69.03410	3.8
69.07066	15.3
70.61778	4.7
70.62128	2.3
79.05478	21.5
80.73194	1.6
81.06548	2.1
81.07037	39.9
83.08601	7.9
85.06549	1.9
91.05458	27.9
93.07029	41.8
93.12178	1.9
95.04957	7.7
95.08589	64.2
97.06533	8.8
97.10093	2.0
98.98449	2.5
99.08055	11.3
103.05465	2.3
105.07007	77.2
107.08574	59.9
109.06493	6.0
109.10136	26.6
111.08058	5.0
117.06994	11.9
119.08557	91.2
120.08933	2.1
121.06496	6.2
121.10129	35.7
123.08041	5.3
123.11686	8.6
125.09632	2.7
127.07574	2.4
128.06136	3.1
129.06996	5.8
130.07722	4.3
131.08543	70.8
133.10114	40.3
135.08022	5.5
135.11650	14.7
137.09625	3.8
142.07742	4.0
143.08540	16.3
144.09343	5.0
145.10097	78.8
146.10686	1.8
147.08058	3.4
147.11655	37.2
149.09592	3.9
149.13245	20.3
149.17651	1.9
151.11154	2.8
153.09018	2.5
155.08569	4.0
156.09323	6.7
157.10081	25.7
158.10873	8.3
159.11676	53.8
161.09605	5.4
161.13231	26.2
161.52495	1.9
163.11142	4.5
163.14799	15.9
165.12766	3.0
169.10124	7.8
170.10925	4.1
171.11678	21.0
172.12379	2.7
173.13229	92.9
175.11168	5.0
175.14795	37.7
177.12668	4.1
177.16313	9.8
181.10120	2.0
183.11653	7.6
185.13214	25.0
187.14789	79.7
188.15202	2.1
189.12785	4.3
189.16336	17.0
191.14268	62.8
192.14476	2.1
193.15929	4.3
194.10852	2.0
195.11714	3.7
195.13696	2.8
197.13268	6.0
199.14775	17.1
201.16353	82.0
203.14285	26.7
203.17970	11.2
205.15872	7.5
207.11804	3.3
207.13808	2.0
209.13208	3.8
211.14790	8.5
213.16367	12.0
215.14261	3.0
215.17949	8.5
217.15849	5.9
217.19470	3.6
221.15314	44.0
221.17456	2.4
223.14885	2.7
225.16360	4.5
227.17946	6.6
229.15941	3.0
229.19389	2.3
231.17380	3.3
233.18849	2.2
237.16313	2.6
239.17839	4.1
241.19464	4.2
243.17502	3.2
251.17969	2.8
253.19553	3.7
255.20988	3.2
260.09808	2.3
267.21252	2.5
269.22882	2.5
279.20908	2.2
283.20575	6.2
295.20413	1.9
311.23801	1.9
329.24680	2.2
351.26813	6.5
365.28333	3.8
387.30368	4.9
393.31470	3.7
405.31458	24.1
423.32529	100.0
424.32852	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	423.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55914	1.1
53.03918	1.5
55.05497	10.3
57.07035	3.8
58.72149	1.0
59.04967	2.1
67.05494	16.2
69.07056	14.4
69.36962	13.0
79.05473	12.8
81.07043	37.1
81.11027	1.0
83.08599	5.2
85.06477	4.9
85.06950	1.1
91.05449	10.4
93.07023	28.4
95.04929	1.7
95.08590	47.6
97.06457	1.4
97.10122	2.8
99.07997	1.5
103.05440	1.4
105.07007	25.2
107.08572	38.3
109.06430	3.1
109.10134	31.3
111.08072	5.8
113.09543	1.4
117.06937	4.8
119.08559	43.2
121.10123	29.8
123.08001	3.2
123.11692	14.1
125.09515	1.3
128.06140	1.1
129.06920	2.8
131.08546	11.6
133.10114	26.1
135.07994	2.5
135.10803	1.6
135.11674	21.3
137.09518	2.3
137.13228	11.7
142.07672	1.6
143.08517	8.0
145.10098	22.7
147.07956	1.3
147.11659	27.4
149.13222	14.7
151.11105	2.1
151.14676	1.4
155.08424	4.9
156.09259	3.3
157.10100	15.3
159.11670	21.3
161.13228	20.1
163.11087	1.2
163.14801	13.9
169.10126	7.0
170.10799	4.3
171.11693	10.3
173.13237	17.9
175.14783	21.2
177.12683	1.3
177.16373	8.3
179.14201	2.0
179.17877	1.3
181.09970	1.5
183.11682	8.3
184.12325	1.3
185.13266	9.7
187.14799	10.1
189.16393	11.7
191.14203	2.4
191.16353	1.3
191.17909	13.4
193.15904	1.8
195.11609	2.6
195.52945	1.2
196.12335	1.6
197.13263	7.3
198.14000	1.2
199.14767	11.2
201.12485	1.2
201.14810	1.0
201.16383	12.0
203.14287	1.4
203.17903	9.6
205.15736	3.8
205.19504	2.9
209.13115	3.2
211.14799	7.5
213.16348	13.2
215.17935	8.0
217.19498	5.7
219.17366	1.5
221.15240	3.4
223.14674	2.2
223.16699	1.1
225.16318	7.3
226.16876	1.5
227.17923	7.4
229.15805	2.0
229.19406	4.8
231.17422	1.9
231.20866	2.2
233.18936	2.6
235.14565	1.3
239.17841	4.4
241.19383	4.1
243.20923	3.2
245.18886	2.2
253.17259	1.4
253.19490	18.4
255.20869	4.7
257.22498	2.4
265.19443	1.6
267.21014	7.6
301.21341	3.6
387.30334	1.7
395.36581	2.2
405.30713	3.0
405.34976	5.0
423.32101	100.0
424.32339	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.2
53.03927	1.2
55.05503	8.8
57.07067	2.4
58.33718	0.9
58.63788	1.0
59.04987	1.5
65.03896	1.5
67.05491	19.5
69.03406	1.6
69.07055	16.3
71.04995	1.7
79.05480	16.4
80.71948	1.1
81.07043	37.6
83.04969	2.6
83.08604	5.1
85.02853	1.5
85.06526	1.4
91.05466	23.4
93.07034	38.8
95.04952	5.4
95.08591	55.2
97.02784	1.1
97.06506	2.6
97.10155	3.2
98.98464	1.1
99.08089	2.2
103.05464	1.4
103.17110	1.1
105.07012	61.1
107.08576	50.2
107.09322	1.5
108.08900	1.3
109.06518	4.1
109.10141	25.0
110.53347	1.1
111.08070	2.6
111.11800	1.3
115.05386	1.7
116.06215	1.4
117.06976	9.2
119.08563	69.0
120.08916	1.3
121.06496	2.0
121.10126	36.1
121.10978	2.5
123.08031	5.5
123.11694	9.2
125.09607	5.1
127.03833	1.3
127.07584	1.5
128.06216	2.5
129.06989	5.1
131.08543	48.3
133.10109	46.5
135.08067	3.0
135.11665	17.1
137.09605	2.1
142.07756	3.5
143.08530	15.0
144.09317	2.1
145.10100	63.1
146.10519	1.4
147.08064	1.9
147.10565	2.5
147.11658	33.1
149.09563	1.9
149.13234	23.7
151.11143	2.9
151.14798	1.5
155.01027	1.2
155.08543	3.6
156.09363	3.7
157.10100	18.6
158.10843	3.8
159.08000	1.3
159.11668	41.8
160.12242	1.3
161.09612	3.8
161.13228	19.4
163.11143	5.6
163.14795	17.7
165.12698	1.4
165.16286	2.3
168.09360	1.5
169.10120	4.6
170.10872	4.0
171.11674	14.1
172.12437	2.2
173.09627	2.5
173.13240	52.4
174.13542	1.5
175.11208	3.4
175.14798	42.1
176.15082	1.6
177.12749	6.1
177.16348	20.1
179.14197	1.3
181.10152	1.3
183.11667	5.4
184.12422	1.6
185.13231	18.6
186.13768	1.6
187.14792	70.7
188.15077	2.6
189.12778	6.3
189.16354	23.7
191.10652	1.4
191.14275	16.8
191.17963	3.4
193.10182	1.2
193.15866	4.6
195.11685	1.9
197.13237	4.8
199.14772	13.8
201.12772	2.8
201.16367	71.3
202.16701	2.3
203.14294	19.9
203.17924	16.4
205.15862	8.7
207.13823	1.3
207.17529	1.4
209.13226	3.0
211.14755	4.5
213.16324	12.3
215.17863	6.1
217.15848	7.9
217.19388	2.6
219.17441	5.0
221.15317	21.0
223.14723	1.7
225.16464	3.1
227.17955	4.4
229.15810	4.0
229.19464	3.6
231.17361	6.0
233.13310	1.2
233.15402	1.2
233.19025	1.3
237.16292	2.0
239.17929	2.2
241.19556	2.6
243.17458	3.2
245.15218	1.5
247.16908	6.7
249.18486	1.8
251.18002	2.4
253.19508	2.3
255.21056	2.7
263.17981	1.6
269.22659	1.6
281.22665	1.3
309.22119	2.4
333.25763	1.1
335.23410	2.0
365.28424	5.5
377.31976	5.2
387.30450	4.0
393.31418	1.6
395.32941	2.2
405.31427	21.8
406.31824	1.6
423.32532	100.0
424.32672	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	423.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36211	1.8
53.03925	2.4
55.05498	12.8
57.07053	3.0
65.03900	1.8
67.05495	23.4
69.07059	11.8
69.67046	1.8
69.67696	14.9
79.05480	25.7
81.07047	39.7
83.04960	6.2
83.08594	5.4
85.06538	3.3
91.05469	29.2
93.07033	48.6
93.15781	1.8
95.04936	8.2
95.08591	58.2
97.06514	2.6
99.08073	15.9
105.07017	81.6
107.08579	76.5
107.09325	3.1
109.06496	7.3
109.10146	30.6
111.08057	3.8
115.05442	3.0
117.06998	15.5
119.08563	96.3
120.08892	2.0
120.45670	1.9
121.06508	6.0
121.10121	37.3
121.28976	1.7
123.08052	5.5
123.11704	9.2
125.09605	6.5
127.07542	2.3
128.06238	3.4
129.06996	6.1
130.07768	3.3
131.08543	74.4
132.08911	2.1
133.10107	48.6
135.08093	4.1
135.11679	14.4
137.13222	2.4
141.06949	2.9
142.07751	4.8
142.90678	1.8
143.08539	23.4
144.09302	4.2
145.10110	64.8
147.07922	2.8
147.11661	63.9
149.09680	2.1
149.13222	17.6
155.08542	6.5
156.09396	4.4
157.10104	26.3
158.10852	5.4
159.07980	3.3
159.11684	48.5
160.12292	2.8
161.09648	7.1
161.13213	24.1
163.11200	4.5
163.14827	14.4
169.10048	8.7
170.10899	4.9
171.11678	20.4
172.12366	3.2
173.09586	3.9
173.13232	66.3
174.13625	3.1
175.11240	4.3
175.14804	35.4
177.12764	3.3
177.16359	8.5
181.10118	6.3
182.10881	3.1
183.11668	11.9
184.12468	1.8
185.13226	33.2
187.11223	3.2
187.14786	65.1
188.15192	3.2
189.12732	4.0
189.16327	17.5
191.14240	8.5
193.15833	3.3
195.11736	5.5
197.13226	9.9
199.14821	19.3
201.12709	5.1
201.16371	58.9
202.16765	2.5
203.14288	22.1
203.17912	8.2
205.15866	5.1
209.13235	5.4
210.14003	2.2
211.14848	10.3
213.16354	14.4
215.14265	5.0
215.17920	4.9
217.15894	6.7
217.19278	2.1
219.11667	2.6
219.17456	3.7
221.13269	3.4
221.15323	23.7
223.14775	4.4
225.16341	7.0
227.17964	4.8
229.15833	7.4
229.19431	2.9
231.17491	4.2
237.16344	3.5
239.17891	3.5
241.19505	3.4
243.17517	9.3
249.16209	2.7
251.17911	4.1
255.20975	2.8
263.17767	2.3
265.19305	4.0
267.21198	2.5
277.19437	2.2
283.20517	2.8
293.22690	5.4
333.25677	4.6
335.23416	2.3
351.26862	11.2
354.54672	1.8
365.28369	11.5
367.30005	2.3
372.77698	1.9
372.83112	2.0
375.30328	2.7
387.30487	4.8
393.31113	3.2
395.32895	2.9
405.31558	26.6
423.32538	100.0
424.32687	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	423.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
53.67304	1.1
55.05504	14.2
57.03432	1.2
57.07056	4.3
62.39242	1.2
64.66333	1.3
65.03927	2.1
67.05132	1.6
67.05493	21.1
69.03413	3.1
69.07056	18.2
70.95757	3.1
70.96092	1.0
71.04983	2.5
79.05481	26.5
80.40409	1.0
81.03412	1.8
81.07047	30.4
83.04963	4.9
83.05414	1.0
83.08609	9.1
84.61253	1.0
85.06525	5.1
91.05467	27.9
93.07030	47.7
95.04958	7.7
95.08593	42.7
97.06516	5.7
97.10138	3.1
98.98443	5.3
99.08080	30.5
103.05495	1.3
105.07017	47.9
107.08579	69.3
109.02911	1.6
109.06509	4.9
109.10140	30.6
111.08071	4.7
113.09616	1.7
115.05447	2.0
117.06998	10.1
119.08568	65.1
120.08902	1.6
121.06507	1.9
121.10128	45.4
123.08051	3.9
123.11684	13.7
125.09579	3.2
127.03893	1.5
127.07528	1.8
127.11198	1.2
128.06192	2.8
129.07008	8.5
130.07759	3.4
131.08545	46.9
132.08919	1.6
133.10112	51.1
135.08046	2.5
135.11665	23.8
137.09607	6.5
137.13222	2.8
139.11166	2.8
141.06984	3.2
142.07739	7.3
143.08548	19.9
144.09291	3.9
145.10103	43.0
146.10632	2.0
147.11667	98.7
148.12027	2.8
148.32422	1.0
149.09583	4.5
149.13258	11.0
151.11151	9.8
153.12711	3.4
155.01004	3.2
155.08559	9.2
156.09276	7.1
157.10114	31.8
158.10828	2.2
159.11674	38.7
160.12061	1.4
161.09613	4.0
161.13260	22.0
163.11182	5.0
163.14809	7.1
163.78435	1.2
165.12767	7.2
167.08575	2.9
168.09296	1.8
169.10092	13.4
170.10899	9.8
171.11670	27.7
171.13054	1.9
172.12317	2.5
173.13245	48.8
175.11180	2.0
175.14789	11.0
177.12726	8.6
177.16403	7.1
179.08409	2.1
179.14220	1.5
181.10133	6.3
182.10930	2.9
183.11668	21.7
184.12460	3.3
185.11549	2.0
185.13225	37.9
186.13686	1.7
187.14789	27.7
189.12747	2.2
189.16330	14.1
191.14297	4.7
191.17870	1.4
193.10135	2.0
194.10986	1.8
195.11720	5.7
195.13437	1.1
196.12415	2.5
196.19444	1.1
197.13237	13.6
198.13789	1.4
199.14787	32.2
200.15314	1.4
201.12700	4.3
201.16360	20.4
203.14238	6.8
203.17882	2.3
205.15875	8.4
206.10910	1.7
207.11685	3.5
207.17451	7.0
209.13245	7.6
210.13943	1.9
211.14772	13.2
212.15492	1.5
213.12569	1.1
213.16353	11.6
215.14354	7.7
215.17833	6.1
217.15880	9.5
219.17445	1.9
221.13263	2.9
221.15292	1.3
222.13971	2.0
223.14719	5.3
224.15741	1.3
225.16382	7.6
227.14235	1.3
227.17838	5.4
229.15897	7.4
229.19492	1.6
231.17480	4.5
233.18930	2.0
235.14806	2.8
236.15698	1.2
237.16405	6.4
238.16982	1.5
239.17938	4.4
241.15739	2.0
241.19514	4.6
243.17438	4.0
243.21236	1.5
245.19022	2.4
249.16345	2.0
251.17961	4.7
253.19545	10.3
255.17441	2.6
255.21072	3.2
257.19037	5.0
259.20584	5.3
263.17975	2.6
265.19534	4.6
267.17419	1.3
267.21112	3.6
269.19174	2.3
271.20520	6.2
279.21146	1.6
283.20517	64.8
284.21027	3.0
285.22217	2.6
291.21191	2.3
293.22522	1.5
297.22156	1.5
301.21677	1.7
305.22372	2.2
309.22202	2.6
313.21506	2.5
317.22504	1.5
321.21991	2.1
321.25623	1.6
323.23602	1.8
325.25305	2.7
333.25735	4.1
335.23721	5.2
337.25110	1.7
339.26984	1.8
349.25305	2.7
351.26770	37.9
352.27246	2.0
353.24603	2.2
363.26474	1.8
365.28546	3.3
387.30490	4.7
393.31509	5.2
395.32996	2.3
405.26395	2.4
405.31531	35.4
406.31778	1.9
423.32547	100.0
424.32782	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	423.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.05497	14.8
57.03417	2.6
57.07060	3.1
67.05492	22.0
69.03410	9.6
69.07050	18.8
69.83471	11.7
71.04980	2.0
79.05473	23.8
81.03409	2.8
81.07037	46.3
83.04977	11.3
83.08607	6.9
84.04488	2.0
85.02888	5.2
85.06532	4.1
86.09679	2.5
91.05460	33.6
93.07029	54.6
95.04946	7.6
95.08590	67.6
95.09202	3.7
97.02891	2.2
97.06515	7.6
97.10132	4.9
98.21479	2.5
99.08079	23.2
103.05441	1.8
103.39541	1.8
105.07009	83.3
107.08578	65.8
109.02903	1.7
109.06506	5.1
109.10142	35.9
111.08062	4.8
115.05405	2.7
117.06995	12.8
119.08559	100.0
120.08900	2.1
121.06474	3.4
121.10123	43.4
123.08043	6.3
123.11681	18.1
125.09590	8.1
128.06184	4.8
129.06952	8.4
130.07762	3.5
131.08539	72.1
133.10100	57.5
135.08023	4.8
135.11682	21.1
137.09642	4.5
137.13239	2.7
139.11154	2.3
141.06964	2.6
142.07739	9.6
143.08546	27.4
144.09305	4.8
145.10089	67.7
145.11227	3.7
147.08047	3.5
147.11661	43.9
148.11996	2.7
149.09616	6.1
149.13231	20.8
151.11150	3.5
155.08565	8.1
156.09349	6.5
157.10103	32.3
158.10777	5.3
159.08061	5.0
159.11659	50.4
161.09599	4.8
161.13205	23.5
163.11140	2.5
163.14806	14.1
165.12842	1.9
168.09416	2.1
169.10097	14.8
170.10889	5.0
171.08029	2.1
171.11662	26.7
172.12398	2.7
173.09607	6.8
173.13234	54.5
175.11174	3.2
175.14816	21.8
177.12747	2.9
177.16351	13.9
181.10101	4.9
182.10905	4.8
183.11638	17.6
184.12395	2.5
185.13222	43.2
185.14757	3.4
187.14790	59.8
189.12724	3.5
189.16348	33.9
191.14265	10.5
191.17844	2.0
193.16095	1.7
195.11752	6.0
197.13210	12.3
199.11250	1.8
199.14783	21.8
201.12767	5.9
201.16336	36.7
202.16632	2.7
203.14275	17.8
203.17850	11.4
205.15846	11.3
207.17474	5.7
209.13234	6.2
211.14819	15.9
213.16357	12.3
215.14384	6.9
215.17924	7.5
217.15840	11.9
217.19446	2.8
219.13754	3.4
219.17404	5.0
221.13345	2.5
221.15385	6.2
223.14830	5.3
225.16376	6.7
227.17928	5.4
229.15868	8.7
229.19385	2.6
231.17503	5.8
231.95271	1.9
235.15044	3.2
237.16383	3.7
239.17892	3.8
241.19562	5.9
243.17424	8.0
243.20941	2.5
251.17863	2.0
253.19547	4.5
255.17345	3.0
255.20950	4.4
257.19067	3.2
261.22366	2.5
265.19492	3.6
267.20972	2.8
269.19012	3.2
269.22696	2.9
279.21039	2.9
281.22467	4.0
283.20557	6.5
285.22192	2.3
333.25803	4.3
335.23560	2.8
351.26651	12.6
365.28653	4.4
377.32169	2.4
387.30515	7.8
393.31525	6.0
395.33023	2.2
405.31488	38.1
406.31906	2.6
423.20404	2.4
423.32532	79.6
424.32898	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	423.325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54985	2.5
53.03933	3.1
55.05502	18.9
57.03424	3.2
57.07061	6.0
60.98404	2.2
65.03940	4.5
67.05491	48.4
69.03413	2.9
69.07059	18.5
69.58672	23.8
71.04973	4.2
79.05482	38.1
79.69982	2.7
81.07043	59.5
83.04966	25.1
83.08640	12.4
84.76337	2.3
85.06519	6.2
91.05461	39.4
93.07025	62.0
95.04955	21.0
95.08593	75.9
95.49184	2.6
97.06529	5.3
98.21547	2.5
99.08096	18.0
105.07018	62.4
105.45107	2.5
107.08580	100.0
109.06487	7.2
109.10141	44.3
110.10446	2.7
111.08080	5.7
113.05957	3.0
115.05457	3.0
117.06995	15.4
119.08559	83.8
119.09407	4.1
121.06493	2.8
121.10123	42.4
123.08026	8.4
123.11694	14.1
125.09621	9.6
128.06133	3.5
129.06950	8.9
131.08548	59.5
133.09177	4.4
133.10114	63.0
135.08064	5.5
135.11678	21.2
137.09552	3.3
137.13251	3.8
139.11197	3.4
141.07013	2.7
142.07744	4.9
143.08554	27.1
144.09323	5.4
145.10097	49.7
147.08037	2.7
147.11656	48.6
147.12732	4.4
149.09624	5.4
149.13240	19.2
151.11177	2.9
155.08543	9.1
156.09357	3.7
157.10103	36.3
158.10725	3.5
159.11676	54.6
161.09639	3.2
161.13223	25.6
163.14746	13.9
165.12758	4.6
167.08580	3.6
169.10062	13.2
170.10727	5.7
171.11684	33.2
173.11842	5.6
173.13249	35.1
175.11034	3.2
175.14806	18.7
177.12741	3.3
177.16400	7.6
179.08540	2.6
179.14259	5.5
181.10020	3.0
182.10919	3.9
183.11617	13.7
185.13258	23.3
186.13905	3.1
187.14803	48.6
189.16371	10.2
191.14241	5.3
191.17915	4.2
193.10078	2.9
195.11711	6.9
196.12296	4.4
197.13226	17.8
199.14752	25.8
201.16370	31.4
202.16705	3.4
203.14247	11.5
203.17921	5.3
205.15779	6.8
207.11566	3.7
209.13229	8.8
211.14777	14.3
213.16345	17.2
215.14340	6.6
215.17938	9.2
217.15813	11.5
219.17497	3.4
221.13297	4.9
223.14731	5.0
225.16371	8.8
227.17932	4.9
229.15862	6.2
231.17374	6.7
233.18825	3.2
237.16377	5.6
239.17879	5.2
241.19478	9.5
243.17323	4.2
247.14801	3.2
248.41597	3.0
249.18614	3.1
251.18001	7.6
253.19420	6.2
257.18933	4.0
259.20422	3.5
261.16351	2.6
262.17035	3.1
263.17722	5.2
277.19464	2.9
279.21030	3.4
283.20554	10.0
291.21103	4.4
293.22302	6.1
314.22333	2.5
333.25562	5.5
335.23566	5.3
342.88406	2.7
347.27151	4.4
351.26816	21.5
365.28284	6.3
387.30435	13.7
395.32849	2.9
405.31451	66.1
406.32025	4.7
423.27390	9.6
423.32452	91.2
424.32840	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	423.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.05507	25.5
57.03426	5.0
57.07067	3.6
65.03947	3.0
67.05494	57.6
69.03399	4.5
69.07061	39.7
69.68880	8.0
69.69305	9.6
71.04976	4.5
71.08632	2.4
75.28888	2.3
79.05486	40.3
81.03410	7.1
81.07049	82.2
81.76789	2.2
83.04975	4.2
83.08604	20.2
85.02885	4.1
85.06543	4.3
91.05464	33.4
93.07031	61.4
94.07362	2.8
95.04958	9.4
95.08592	100.0
95.09198	5.4
97.02861	4.0
97.06509	4.2
97.10152	9.3
98.20753	2.9
99.08087	5.6
105.07016	62.6
107.08579	74.3
108.08907	3.6
109.02925	2.6
109.06517	6.6
109.10142	61.4
111.08060	6.8
115.05311	2.3
117.07000	12.4
119.08564	79.4
120.08102	5.3
120.08913	2.7
121.06500	5.4
121.10120	59.8
123.08096	8.4
123.11689	25.6
129.06982	6.5
131.08556	35.8
133.10114	56.8
134.10408	2.9
135.08029	3.4
135.11670	37.8
137.09590	3.9
137.13226	12.9
139.11200	2.8
142.07742	4.7
143.08545	15.3
144.09325	3.3
145.10106	49.3
147.07967	2.3
147.11674	44.4
149.13249	33.3
151.11061	2.8
155.08539	7.5
156.09312	3.0
157.10110	26.4
158.10776	3.7
159.11674	44.8
160.12041	2.6
161.09723	3.1
161.13231	25.1
163.11067	3.2
163.14798	28.5
169.10117	6.9
171.11687	18.3
172.12454	3.1
173.11816	5.2
173.13216	25.0
175.11192	3.9
175.14809	21.9
177.12740	4.8
177.16389	13.6
179.14291	8.5
181.10143	3.1
183.11694	10.0
184.92636	2.1
185.13261	16.6
187.14795	42.4
188.15147	2.4
189.12747	3.7
189.16330	40.1
191.14305	3.3
191.17937	16.2
195.13809	3.4
197.13185	11.8
199.14780	12.9
201.12827	4.8
201.16348	41.3
203.14299	5.3
203.17917	18.9
205.15889	4.2
205.19424	3.0
207.17482	5.9
211.14873	7.1
213.16368	8.7
215.14209	3.1
215.17929	26.4
217.15787	4.9
217.19522	8.4
219.17390	6.0
223.14856	2.8
225.16309	8.2
227.17995	12.6
229.15877	2.4
229.19542	9.4
231.17429	6.1
239.17949	7.7
241.19606	8.5
243.21129	5.8
247.16962	3.8
251.17773	2.6
253.19606	3.5
255.21075	8.2
257.22629	3.6
259.20627	3.7
267.21057	5.8
269.18866	2.2
269.22662	7.5
271.20407	3.9
271.24042	3.7
275.19952	3.1
281.22610	9.5
307.24359	3.0
331.26337	3.3
342.49417	2.6
365.32394	3.0
377.32010	13.4
405.30850	5.4
405.35800	16.4
423.32141	46.6
423.36234	65.8
424.32373	4.8
424.37134	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	423.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01855	2.6
55.05504	13.1
57.03415	3.3
57.07076	5.8
67.05494	34.7
69.03394	1.4
69.07059	20.0
69.47185	10.2
69.47606	2.7
71.04980	1.6
71.08614	3.3
79.05484	14.8
81.07046	37.5
83.04964	4.2
83.08601	10.5
85.06521	1.9
91.05472	17.1
93.07030	29.1
95.04958	2.3
95.08592	53.1
97.02859	3.2
97.06519	4.2
97.10157	3.7
99.04440	1.4
99.08084	2.2
105.07008	20.1
107.08573	36.0
109.06501	16.1
109.10143	32.4
111.08053	5.3
117.06994	4.2
119.08553	27.9
121.06471	1.5
121.10130	23.2
122.07305	1.5
123.08050	49.6
123.11692	10.5
125.09637	1.8
127.03876	1.7
129.06999	2.1
131.08537	13.1
133.10103	20.4
135.08043	9.8
135.11679	14.7
137.09618	5.8
137.13292	5.7
139.11162	1.8
142.07719	2.3
143.08514	3.8
144.09251	1.3
145.10098	16.4
147.11668	15.6
149.09579	3.1
149.13220	13.3
151.11185	3.0
156.09277	1.6
157.10103	8.9
159.11681	16.4
161.09579	2.3
161.13251	12.0
162.10417	1.2
163.11203	2.0
163.14809	7.5
165.12749	1.8
169.10095	2.4
171.11646	7.8
173.11703	3.9
173.13249	10.9
175.14787	7.3
177.12720	3.0
177.16364	6.6
179.14281	46.5
180.14677	2.6
181.72458	1.2
183.11623	3.5
185.13280	4.5
187.14799	10.6
189.16388	7.1
191.14217	2.0
191.17964	7.1
193.15820	1.3
197.13225	2.3
199.14839	4.9
201.12756	1.3
201.16327	7.9
203.14403	2.2
203.17902	7.1
205.15848	4.7
207.17441	2.5
209.13406	1.5
211.14766	2.8
213.16344	3.6
215.17950	8.9
217.15810	1.5
217.19537	2.7
219.17363	2.9
223.14961	1.6
225.16422	2.5
227.17848	3.9
229.19482	2.3
233.18973	3.7
239.17839	1.9
241.19514	1.9
243.21060	3.0
247.20485	1.4
253.19376	1.8
255.21030	1.8
259.20667	1.5
261.22266	1.5
267.20978	1.7
269.22565	2.0
275.20087	3.5
289.25391	2.0
293.21136	1.9
297.25681	2.1
303.26791	4.6
313.25281	2.3
331.26282	34.0
332.26627	3.2
335.23462	1.2
349.27332	8.6
365.28311	2.1
367.24869	1.9
405.30316	2.3
405.35745	5.9
423.31085	100.0
423.36295	31.4
424.31415	13.8
424.36646	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.9
53.97478	1.3
55.05505	19.4
57.03424	3.1
57.07066	7.8
59.04982	2.3
65.03934	2.7
67.05494	67.7
69.07056	31.8
69.56573	13.0
71.04981	3.0
71.08615	1.6
74.42304	1.5
77.03939	2.1
79.05482	25.1
81.03392	1.8
81.07043	79.1
82.07385	1.6
83.04964	4.7
83.08601	15.5
85.06538	3.7
91.05463	26.6
93.06432	1.8
93.07030	49.1
95.04950	5.6
95.08593	100.0
96.08928	3.4
97.06505	3.6
97.10143	5.3
99.08048	4.7
103.05515	1.5
105.06335	2.4
105.07017	43.5
107.08576	62.9
108.08873	1.6
109.06478	5.8
109.10141	68.9
111.08060	5.7
111.11686	3.8
117.07010	11.9
119.08566	67.7
121.06478	4.3
121.10126	51.9
123.08030	5.4
123.11687	21.9
125.09605	5.7
128.06165	2.2
129.06946	4.7
130.07750	2.2
130.84010	1.4
131.08542	28.3
133.10110	48.2
135.08034	3.2
135.11668	32.4
137.09616	3.7
137.13231	22.3
142.07794	1.5
143.08557	12.3
144.09282	3.7
145.10115	38.8
147.11664	29.3
149.02319	2.1
149.09608	4.1
149.13239	26.5
151.11136	3.6
155.08533	3.5
156.09332	3.8
157.10100	13.7
158.10779	2.2
159.11679	36.5
161.09616	1.9
161.13235	23.2
163.11159	3.8
163.14789	18.9
165.12698	2.3
169.10078	5.6
170.10895	3.5
171.11668	12.1
172.12386	2.1
173.11700	6.9
173.13231	24.7
175.11057	2.7
175.14798	18.1
177.12764	3.5
177.16362	9.5
179.14201	3.5
179.17986	1.5
183.11626	9.2
185.13237	11.4
187.11156	2.1
187.13246	2.5
187.14806	25.3
189.12680	2.6
189.16359	19.7
191.14325	3.5
191.17915	25.7
195.11887	2.3
195.13760	3.2
197.13243	4.4
199.14803	12.1
201.12616	2.8
201.16345	24.3
203.14281	4.7
203.17914	13.3
205.15811	6.7
205.19485	4.5
207.17322	3.1
211.14783	4.4
213.16382	8.9
215.14354	2.4
215.17937	16.3
217.15796	5.2
217.19408	10.1
219.17354	2.6
223.14700	1.8
225.16376	3.6
227.17902	4.7
229.19460	3.2
231.17465	4.6
231.20956	1.9
233.19002	9.5
237.16351	2.0
241.19441	4.4
243.17522	1.7
243.21008	5.1
245.18860	2.7
253.19414	5.2
255.21042	2.9
257.18869	2.1
261.21796	2.4
267.20935	2.7
269.19150	1.9
269.22162	1.5
273.03986	1.9
283.20273	1.5
285.22101	1.9
297.25772	1.9
305.22433	1.7
351.26688	3.3
405.31140	6.0
405.35208	4.8
423.27286	12.1
423.31284	28.1
423.36304	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	424.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23279	2.0
50.74853	1.5
53.03930	2.9
53.40939	1.4
55.01849	2.9
55.38411	1.5
56.05011	4.8
56.96550	4.0
57.03423	2.9
58.06584	4.9
59.15611	1.4
60.04507	9.4
65.03914	1.6
67.05497	3.4
68.05009	4.4
69.03422	14.8
70.02927	2.3
70.06572	6.4
71.01338	3.4
71.04973	4.2
71.43310	1.6
71.62136	3.3
73.02901	2.9
74.05674	2.7
74.06067	33.9
78.19840	1.4
79.05470	4.5
80.05009	3.1
81.03404	24.9
81.07047	5.2
82.06567	4.6
83.04959	5.9
84.04478	7.0
84.08128	2.6
85.02890	30.2
86.06055	21.8
87.04453	3.6
91.05456	4.7
93.07037	3.5
94.06525	7.7
95.04950	15.3
96.04460	3.8
96.08101	4.6
97.02879	10.6
97.06523	3.2
98.06036	6.4
98.97569	8.1
99.04442	3.9
103.05511	1.4
106.06559	1.8
106.35575	1.6
107.04916	3.2
107.07313	3.6
108.08112	3.8
109.02839	4.5
109.06531	7.5
110.06020	4.3
111.04404	9.5
112.07598	2.8
115.03900	3.5
116.07040	1.6
116.98605	6.5
119.04877	2.5
120.08105	3.5
121.06480	5.1
122.05990	22.4
123.04415	26.6
123.06790	5.8
123.08051	1.8
124.07591	13.7
125.05937	5.1
126.05488	2.0
126.14774	1.6
127.03916	9.7
133.44099	1.7
134.09627	4.6
134.99661	2.9
135.08061	3.0
136.07518	7.7
137.05989	10.9
138.09081	4.2
140.07028	4.8
143.00102	1.5
143.01822	1.8
145.04939	3.5
147.06790	2.5
148.07535	3.4
149.01204	1.6
149.05965	6.5
151.07544	3.2
152.07022	12.6
152.10686	1.9
153.05412	3.7
154.08543	2.0
155.07013	3.0
158.99663	4.2
162.09196	4.9
163.07582	2.6
164.07040	3.0
165.05487	4.6
166.08614	4.4
167.07022	16.8
170.08258	1.7
172.04277	2.0
177.00688	4.3
177.05502	4.5
180.10126	9.6
182.08115	5.0
183.06480	12.6
184.09749	2.0
191.07037	4.3
198.11264	21.9
200.09154	23.2
204.05339	1.9
204.08696	1.5
206.10222	4.2
208.09613	9.5
209.08102	4.1
216.12354	8.3
219.01669	3.1
226.10721	48.0
227.09181	7.4
228.12343	9.5
237.02855	2.9
242.07297	7.4
244.11790	100.0
245.05000	1.9
245.12082	3.1
246.13376	5.2
262.12796	8.2
363.09448	2.2
406.17007	9.3
408.60101	1.6
424.18298	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.5
56.05016	4.7
58.06580	8.3
60.04511	56.4
64.00252	4.1
67.05486	3.6
69.03414	14.8
70.06568	6.8
70.93994	11.2
79.05478	11.9
80.05005	24.4
81.03402	11.2
81.07058	8.5
84.04492	34.9
84.08123	4.3
85.02899	20.5
86.06056	89.7
87.04469	5.8
91.05459	8.4
94.06531	7.4
95.04940	14.9
96.08102	14.7
97.02860	12.4
97.06506	6.4
103.05402	4.5
106.06532	5.7
107.07339	12.9
107.08506	3.7
108.08115	20.0
109.06491	17.2
110.06020	12.3
111.04444	5.7
114.05508	4.3
118.06441	3.7
120.08070	11.0
121.06481	11.8
122.06006	10.5
123.04409	10.4
124.07598	7.6
126.05486	4.2
127.03905	8.1
130.05040	4.9
134.09619	16.1
136.07558	26.0
137.05966	32.3
138.09138	7.8
139.11252	3.7
141.05420	11.4
144.32846	3.9
146.06010	9.0
147.06779	18.2
148.07471	9.1
149.05966	44.1
149.56902	3.6
151.07509	4.3
152.07039	10.8
152.10732	4.3
154.08598	6.2
155.06978	5.5
162.09160	25.9
163.07571	5.2
164.07037	36.9
165.05498	33.3
166.08604	6.2
167.06995	48.6
180.10181	69.9
182.08051	7.2
183.06534	10.6
190.08580	36.6
191.06970	9.6
198.11218	9.5
200.09146	14.9
206.10165	7.7
208.09650	54.0
209.08028	14.2
210.11221	4.3
216.12439	5.7
226.10695	99.1
227.09109	6.3
228.12347	10.6
244.11765	100.0
246.13345	7.0
262.12881	5.0
406.17038	9.6
424.18237	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	424.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98970	2.3
53.03941	4.1
55.01855	3.2
55.05495	2.1
56.05015	5.4
56.96550	10.8
57.03407	4.0
58.06578	5.7
60.04511	8.7
65.03901	2.5
67.05485	5.0
68.05025	5.9
69.03429	20.6
69.80810	18.2
70.06575	11.8
71.04967	3.6
73.02898	5.8
74.06069	38.1
79.05478	8.6
80.05001	7.0
81.03410	38.6
81.07034	5.2
82.06554	3.4
83.04945	7.4
84.04476	5.9
84.08122	6.4
85.02888	44.3
85.46707	2.4
86.06059	22.0
87.04455	6.5
91.05469	7.9
93.07013	6.3
94.06534	7.6
95.04971	19.4
96.04526	2.9
96.08112	6.5
96.10432	2.5
97.02861	19.9
98.06050	6.8
98.21378	3.0
98.97575	39.8
99.04442	4.6
103.58638	2.9
105.41638	2.4
107.04951	7.6
108.04462	3.3
108.08121	3.0
109.02879	5.7
109.06482	6.5
110.06018	4.6
110.97520	4.9
111.04427	9.7
112.07525	4.1
116.98595	28.1
118.70856	2.7
119.01933	5.0
119.04942	3.4
120.02000	3.5
120.08109	5.2
121.06500	8.2
122.06002	24.4
122.09674	2.3
123.04395	22.9
123.06832	6.2
123.08083	3.8
124.07581	12.8
125.05944	3.6
127.03904	13.0
128.98593	7.2
131.01872	2.7
134.09651	3.3
134.99648	7.3
136.06111	2.5
136.07578	6.1
137.05917	13.4
138.09090	3.9
141.05405	2.8
143.00096	2.7
143.01868	6.1
144.01982	3.2
145.01694	3.6
145.04970	4.7
146.99632	6.5
147.04364	4.4
149.05911	5.6
152.07033	11.3
153.05504	4.7
158.99667	13.6
161.01155	4.4
161.02971	9.5
161.04735	3.2
162.03107	6.3
162.09138	4.5
163.02731	5.0
163.07477	4.0
164.07068	6.0
165.05492	6.6
166.08606	4.5
167.07001	28.1
170.99648	5.2
173.02922	2.6
174.06725	3.8
177.00648	17.7
177.05525	6.3
180.10155	8.0
182.08067	7.0
183.06526	12.4
185.02946	3.7
185.06604	3.5
186.06625	3.1
189.00616	2.7
189.04315	4.5
190.08624	4.3
192.07845	2.8
198.11275	18.7
200.09196	21.3
204.07747	3.4
206.10121	3.7
208.09637	9.7
209.08093	6.0
216.12280	7.3
219.01797	13.4
221.05177	3.9
222.05388	3.6
223.04527	3.8
226.10718	44.4
227.09180	14.7
228.12277	9.4
233.06657	3.2
237.02769	21.9
242.07126	12.2
244.11783	100.0
246.13344	3.6
249.67487	2.7
262.12820	8.0
276.10043	7.0
291.07489	11.9
293.10739	5.4
294.10934	18.1
295.10709	6.8
309.08585	27.0
321.08994	2.4
381.10660	15.8
406.17279	6.5
424.13269	12.5
424.18033	9.0
425.09103	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	424.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.0
55.05495	9.5
57.03433	5.0
59.04984	3.8
60.04511	4.2
61.02929	2.7
67.05476	6.7
69.03416	9.8
69.07049	6.2
70.06584	12.2
70.89548	9.5
71.04976	7.4
77.02004	2.4
79.05493	9.5
81.03407	10.9
81.07030	15.1
83.04960	7.0
83.08589	6.5
84.04482	5.5
84.08138	5.8
85.02888	25.3
85.06530	8.6
86.09676	6.6
91.05454	10.6
93.07021	8.2
95.04932	19.2
95.08590	12.1
97.02865	8.8
97.06519	9.1
98.97580	3.6
99.04440	3.9
99.08077	4.6
102.05523	3.2
105.06998	25.5
107.08590	17.4
109.02831	6.1
109.06505	12.8
109.10143	6.5
111.08005	3.6
116.98654	2.9
117.06997	2.9
119.08562	19.0
120.08086	8.3
121.10130	100.0
123.08053	9.3
123.11712	5.7
127.03886	10.2
131.05037	2.7
131.08569	7.8
133.10088	28.2
135.08003	3.3
135.11687	7.5
139.11211	4.2
145.04893	4.5
145.10109	3.6
147.11690	25.5
151.07538	6.7
151.11147	7.3
153.09084	6.2
163.14851	3.9
165.12721	15.8
167.14323	4.0
173.13200	27.2
175.14845	8.1
183.13756	7.2
191.14256	42.6
209.11696	3.2
209.15338	31.3
227.16377	14.0
237.02879	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	425.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99597	0.2
58.99850	2.4
61.02888	0.7
62.28458	0.3
68.00043	0.3
69.03403	0.3
70.48415	1.2
70.99847	1.8
77.00481	0.5
77.00892	7.4
81.03388	0.7
82.99842	0.9
85.02870	0.5
86.99323	0.4
89.00883	3.3
94.99860	0.5
95.01929	1.9
97.01393	0.4
97.02871	0.5
101.00224	0.4
101.00861	7.8
105.00372	0.3
107.01922	0.5
109.01404	0.3
109.02830	0.7
109.87276	0.2
113.00826	1.2
115.02389	1.1
119.01898	16.6
120.01955	0.9
127.02392	2.3
129.00317	0.3
131.01895	5.3
133.03448	1.8
135.01414	2.0
137.02911	2.3
139.02373	4.8
142.03465	0.4
143.01877	7.3
144.01955	0.3
145.03433	12.2
146.03494	0.7
147.01326	0.6
149.02934	0.4
153.02411	1.4
155.01874	4.2
156.02733	0.3
157.03442	24.2
158.03606	0.6
159.01343	1.2
159.05151	0.3
161.02925	13.9
162.03021	0.4
163.04488	1.3
167.01862	2.4
168.05104	0.3
169.03450	1.9
171.01396	0.4
173.02936	6.5
175.04482	5.0
177.02385	0.7
179.03969	0.4
180.04948	0.3
184.04489	0.4
185.02922	9.3
186.03050	0.3
187.04475	1.4
197.02940	0.8
199.04375	0.4
203.03972	15.7
204.04155	0.7
221.05025	39.7
222.05261	1.7
227.03989	0.4
239.06085	40.0
240.06291	1.6
244.06624	1.2
245.05032	3.7
249.04448	0.4
257.04895	0.4
257.07306	0.4
262.07739	0.5
263.06079	95.4
264.06238	3.9
275.06067	100.0
276.06290	4.4
277.07742	2.1
281.07166	0.9
287.06244	1.4
289.07782	0.7
299.06082	0.9
305.07135	8.4
306.07336	0.7
307.08829	1.3
317.07043	0.7
335.08197	0.6
344.03976	0.5
347.08163	1.2
365.09277	5.9
366.09372	0.5
383.10333	4.0
425.11337	39.5
426.11499	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	425.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01834	0.6
55.12510	0.5
57.45817	0.6
58.99836	0.9
69.03424	0.6
70.06584	0.8
70.99836	0.9
71.70216	0.8
77.00874	2.2
82.99836	1.3
85.02882	1.3
94.99817	0.6
97.02865	2.0
98.97554	2.0
101.00862	13.8
109.02855	1.7
113.00843	2.6
116.98589	1.2
119.01903	34.1
121.06461	0.8
127.02405	2.7
129.03932	0.7
131.01886	12.4
133.03444	2.3
137.02933	3.1
139.02399	1.8
142.03471	0.6
143.01872	31.6
144.01874	1.0
145.03435	13.8
149.02946	1.4
155.01859	14.1
157.03450	13.5
158.03696	0.7
158.99649	0.7
159.01205	0.6
161.02928	54.4
162.03055	1.5
163.04501	2.2
167.01868	7.5
169.03450	3.8
171.04984	2.5
173.02936	23.1
174.03076	0.6
175.04395	3.0
179.01811	3.1
179.04012	0.6
180.04851	0.9
181.03528	0.9
184.04504	2.1
185.02927	37.1
186.03062	1.4
187.03130	0.6
187.04549	4.7
189.06084	1.0
191.03955	3.9
197.02921	14.5
199.04536	0.8
201.06108	0.7
203.03969	21.9
204.04187	0.8
205.05580	1.0
208.04506	0.8
209.02896	1.1
211.04472	0.8
215.03983	8.3
217.05537	1.0
219.01750	0.8
221.03188	0.9
221.05023	15.7
222.05267	0.9
227.03944	7.4
233.04897	0.7
239.04021	1.1
239.06122	11.4
245.05034	100.0
246.05339	3.1
257.05072	5.5
263.06091	48.2
264.06339	2.0
275.06070	52.5
276.06421	1.5
277.07553	1.2
286.07718	0.7
287.06015	1.3
291.09186	0.8
293.07120	4.1
305.07126	11.2
307.08801	3.8
317.07278	1.2
335.08273	3.5
338.28009	0.7
365.09274	8.8
366.09616	0.8
383.10031	2.6
425.11331	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	425.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.0
64.24387	0.8
65.03895	0.8
67.05458	2.1
68.06762	0.7
69.03383	2.7
69.07036	0.9
70.06555	2.5
71.04939	2.4
71.70757	1.5
79.05456	1.5
81.03394	1.1
81.07024	1.4
84.08097	1.7
84.11858	0.8
85.02847	3.3
86.09674	1.8
91.05453	5.3
93.07018	1.5
95.04936	1.8
95.08552	1.6
97.02843	1.7
97.06502	1.2
98.97569	1.4
105.06984	1.3
107.08559	1.4
109.02836	0.9
109.10158	1.3
119.04894	1.4
119.08561	1.6
120.07992	1.1
121.06437	1.3
121.10062	0.9
124.07513	2.7
127.03838	1.5
132.10135	0.8
136.07552	11.8
137.07907	0.9
145.10068	1.1
147.04340	2.2
149.09595	1.0
157.06429	1.3
159.07957	1.2
163.03964	0.9
164.07043	12.0
166.08582	1.0
177.05431	1.1
182.08026	2.7
192.95891	0.9
224.22665	0.9
227.19980	1.3
237.02724	1.4
245.11562	3.2
245.20959	1.3
257.12817	1.1
263.13525	1.2
272.07230	1.3
290.07791	1.0
293.09827	2.5
374.52179	0.8
407.12555	3.3
425.13855	100.0
426.14291	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1413
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
52.70084	0.5
55.01853	0.8
55.05490	0.8
56.96516	0.6
57.03405	0.8
58.23003	0.5
59.25955	0.6
61.02903	0.9
67.05463	1.4
69.03394	1.6
69.07040	0.7
69.25907	0.7
70.06554	1.7
71.04951	1.5
71.69695	1.1
72.08115	0.7
73.02893	0.8
77.21202	0.5
79.05463	1.2
81.03387	1.0
81.07022	1.7
83.04951	0.7
84.04469	0.6
84.08113	0.8
85.02866	2.3
85.06513	0.6
86.09686	1.3
91.05462	2.9
93.07014	2.1
95.04922	1.4
95.08562	1.7
96.04482	0.6
97.02846	2.4
99.04407	0.6
105.07017	1.3
107.08538	0.9
109.02790	0.9
109.10114	1.6
116.98526	0.7
117.06976	0.8
119.08523	2.1
120.08101	0.8
121.10078	1.4
124.07521	1.5
127.03870	0.9
131.04866	0.8
131.08560	0.9
135.07970	0.7
135.11612	0.9
136.06592	0.8
136.07552	9.1
137.07870	0.9
138.09065	1.1
147.04367	1.6
149.05885	0.7
149.09430	0.6
161.09586	0.6
164.07033	7.4
166.08624	1.3
174.58821	0.6
182.08032	1.5
199.10970	0.6
227.20000	0.7
245.11626	1.6
263.13669	1.5
270.31320	0.6
272.07379	0.8
293.10016	2.6
363.13086	0.7
389.11493	1.2
407.12503	2.4
425.13907	100.0
426.14316	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	425.1778
Annotation	GlcNAcbeta1-6GalNAcalpha
Peak:m/z	Relative Intensity
55.05505	0.8
59.88862	0.7
62.31786	0.6
67.05488	2.1
69.03410	1.3
71.04969	0.8
71.70253	0.9
79.05476	1.0
81.03407	1.1
81.07044	1.4
85.02866	0.9
91.05476	1.8
93.07025	2.6
95.08604	1.6
97.02893	0.9
97.06526	0.9
105.07021	2.5
107.08560	2.0
109.10158	0.8
119.08590	2.2
121.10161	1.2
131.08554	1.5
133.10088	1.6
138.09142	1.4
143.08566	0.9
145.10120	2.3
145.22012	0.6
147.11710	1.1
152.68904	0.6
157.10091	0.8
159.08022	0.6
159.11717	4.1
161.09496	1.2
161.13200	0.9
173.13307	0.9
185.13176	0.8
187.14880	1.0
197.13374	0.8
201.16391	0.7
208.97606	0.7
214.23309	0.7
215.14310	1.1
236.56958	0.6
237.58076	0.7
248.79004	0.6
263.12924	1.0
391.44733	0.9
391.50107	0.7
425.17780	100.0
426.18115	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24551	4.2
55.05505	9.1
57.03425	6.0
57.07062	19.1
67.05490	17.9
69.07050	16.2
71.08624	6.1
71.36057	9.0
79.05476	9.3
81.07043	32.5
82.74931	4.0
83.08608	6.4
84.86703	3.9
85.10155	6.3
88.41801	4.7
91.05462	14.6
93.07035	18.0
95.08589	40.4
99.08073	4.0
105.07000	28.5
107.08591	35.7
108.15006	4.2
109.06523	4.6
109.10163	27.6
112.99999	59.5
114.04416	4.0
119.08549	32.2
121.10153	24.9
123.11685	10.7
131.08530	12.0
133.06433	4.5
133.10066	20.7
135.11655	14.8
139.11099	4.1
143.08566	6.0
145.10115	16.1
147.11665	13.5
149.13272	7.8
157.10193	5.5
159.11636	10.6
161.13191	12.8
163.11061	4.6
163.14815	6.2
168.84167	4.7
169.02606	66.0
169.96117	4.2
171.11652	6.8
173.13264	9.2
175.14661	10.7
177.12700	4.7
177.16374	11.1
179.14322	6.3
185.13239	7.7
187.14833	12.7
189.16272	8.0
191.18028	5.7
201.16376	7.4
203.14259	33.4
205.15878	32.5
217.15883	10.7
219.92955	4.0
225.16264	4.7
243.20901	7.9
255.21158	6.0
261.22229	6.8
271.20453	4.7
313.27316	24.6
407.32950	17.5
425.28815	5.7
425.34140	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93786	3.0
55.05490	15.7
57.03418	7.5
60.99948	3.7
61.02904	3.9
67.05495	63.3
69.03407	11.7
69.07050	15.4
69.82661	24.9
71.04679	3.0
71.04987	43.0
71.08609	6.4
71.95129	3.0
73.02892	9.1
79.05483	23.9
81.03396	5.4
81.07047	57.6
83.00573	3.9
83.04953	4.9
83.08587	12.0
85.02891	24.1
85.06517	9.5
89.13631	3.1
91.05453	11.7
93.07034	36.0
95.04939	6.4
95.08591	84.6
95.77444	3.9
96.08922	4.6
97.02866	7.2
97.06517	7.0
97.10130	7.8
98.21439	4.5
99.04436	3.3
99.08072	10.7
100.11240	8.3
105.07012	9.9
106.28604	3.5
107.08558	19.2
109.02837	6.6
109.10150	53.2
111.08083	5.3
114.09122	8.1
119.08565	7.8
121.10130	31.1
122.05977	5.5
123.11676	12.3
133.10074	4.6
135.07980	4.3
135.11667	36.9
137.06088	4.6
137.07027	17.8
138.09116	4.1
140.10640	4.7
147.04410	14.9
149.13226	8.9
177.10214	46.4
191.17928	10.7
199.11171	3.6
209.18993	13.3
227.20033	32.8
228.20323	3.8
245.21094	100.0
246.21419	4.2
249.15996	43.9
250.16481	4.1
263.13861	4.1
263.22211	6.8
293.18524	40.0
294.16846	8.3
297.02176	4.2
385.11182	3.8
425.17578	24.4
425.30646	5.1
425.35736	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.0
55.01851	6.3
55.05508	6.6
56.52000	2.6
57.03418	7.2
67.05499	31.8
68.79919	3.4
69.03408	12.4
69.07058	13.0
70.06587	25.2
70.14756	18.3
71.04979	25.7
72.08141	5.1
73.02888	3.3
79.05484	14.3
81.03392	13.0
81.07050	30.2
83.04977	3.8
83.08591	6.7
84.04444	3.3
84.08139	3.1
85.02896	21.7
85.06525	18.5
86.09691	10.7
91.05476	14.8
93.07031	25.2
93.19202	2.9
95.04965	6.1
95.08598	38.5
97.02867	14.0
97.10135	4.4
99.04465	5.6
99.08048	3.7
105.07034	12.7
107.08572	11.2
109.02865	7.6
109.06449	3.9
109.10148	35.8
109.72988	3.1
111.04411	3.0
114.09727	2.9
115.05447	15.3
117.07007	7.2
119.04949	6.2
119.08610	5.7
121.06510	4.4
121.10147	25.4
123.04434	4.1
123.11702	4.2
127.03914	8.9
131.08559	5.9
133.06470	20.4
133.10124	4.4
135.04243	3.2
135.08064	4.7
135.11655	21.3
137.05971	4.9
143.04903	5.2
143.08566	3.7
145.04913	4.1
147.04358	21.2
149.13304	7.2
161.06006	5.7
163.03911	4.9
163.14880	3.3
164.07098	3.2
166.04865	3.0
169.13387	4.1
177.05431	3.3
189.05409	4.6
191.17943	9.6
209.18996	11.2
211.14413	3.8
227.20030	29.6
245.11615	3.3
245.21140	20.6
259.08224	3.9
263.22189	4.0
267.16022	4.6
361.85568	3.0
407.12820	4.8
425.17743	100.0
425.23126	6.2
426.18259	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	11.6
55.78500	1.5
57.03426	1.6
57.07061	3.4
61.02924	2.1
67.05138	3.5
67.05491	47.2
69.03423	4.9
69.07056	15.6
69.37041	1.4
70.70889	5.1
71.04978	48.2
78.15523	1.6
79.05481	21.4
81.03410	2.8
81.07043	45.6
83.08604	8.9
85.02876	8.9
85.06528	24.3
90.18224	1.7
91.05462	4.7
93.07031	27.3
93.24667	1.5
95.04959	2.5
95.07999	3.6
95.08592	56.2
96.08900	1.9
97.02858	5.5
97.06513	4.0
97.10162	2.6
99.04478	2.8
99.08070	5.7
105.07006	2.5
107.08572	14.3
109.02919	2.0
109.10138	41.3
111.08087	1.7
119.04919	3.5
119.08599	2.3
121.10123	46.9
121.18488	1.5
123.11668	9.3
135.11661	22.5
147.04359	9.5
149.13231	7.0
162.05493	4.0
163.05824	2.8
191.17917	19.1
209.19000	10.2
215.01234	1.7
227.20012	100.0
228.20406	4.9
245.11673	2.3
245.21103	21.1
263.22101	9.2
264.22531	2.6
340.80829	2.0
361.13690	1.7
425.12936	2.2
425.17865	26.8
426.17703	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	425.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.6
55.01859	2.9
55.05498	18.9
57.03429	3.8
57.07066	4.4
59.04967	1.9
65.03924	3.5
67.05493	33.7
69.03423	4.7
69.07050	24.0
69.62825	8.0
69.63234	5.3
71.04984	2.5
79.05477	29.7
81.03419	4.6
81.07043	58.3
83.04972	4.4
83.08611	14.1
84.04475	3.2
85.02901	2.4
85.06531	5.3
89.03893	3.0
91.05466	39.2
93.07029	66.0
95.04937	8.2
95.08588	89.8
97.02869	2.3
97.06528	8.1
97.10167	6.2
98.20741	4.3
99.04455	2.1
99.08079	16.5
103.05449	2.6
105.07008	76.0
105.07722	3.7
107.08573	93.8
108.08918	2.1
109.02813	2.6
109.06518	7.6
109.10138	41.9
111.04459	2.1
111.08079	5.5
113.00014	5.2
117.03382	3.6
117.06995	9.3
119.08559	100.0
120.08858	3.4
121.06512	2.9
121.10132	66.9
123.08062	6.0
123.11694	17.9
123.23820	1.7
125.09657	4.0
127.03907	3.2
128.06194	2.3
129.06938	3.3
130.07822	3.0
131.08553	50.1
133.06627	1.8
133.10101	65.1
134.10497	2.6
135.08061	11.4
135.11670	44.0
137.05989	2.9
137.09610	5.4
137.13248	5.2
138.18512	1.6
142.07727	2.4
143.08562	14.0
144.09367	4.9
145.02797	9.7
145.10100	59.0
145.11214	3.0
147.08124	2.1
147.11656	90.6
148.04849	1.9
148.12018	2.5
149.05937	2.1
149.09630	7.8
149.13226	28.5
151.11189	6.7
155.08524	4.5
156.09261	3.9
157.10107	20.7
158.10910	3.5
159.08018	2.0
159.11667	49.0
159.12938	2.6
160.12276	1.9
161.09624	5.6
161.13237	27.7
161.14511	2.3
163.03761	2.0
163.11150	11.0
163.14803	24.0
165.05444	2.3
165.09090	12.8
165.12740	1.9
169.02617	6.4
169.10069	5.9
170.10883	4.8
171.11674	16.0
172.12401	5.2
173.09637	2.0
173.13226	32.0
174.13925	2.1
175.11169	11.6
175.14774	32.6
175.16150	2.4
177.05435	15.1
177.12711	5.7
177.16342	28.6
177.55824	1.8
179.14359	2.2
183.11661	8.9
184.12433	2.7
185.13216	18.4
186.14023	1.9
187.11235	2.1
187.14789	59.3
187.33116	2.0
188.15195	3.2
189.12744	2.9
189.16357	33.7
190.13487	5.6
191.14311	5.2
191.17966	11.0
193.12183	2.0
193.15936	2.2
195.11761	2.3
197.13295	7.3
199.14795	14.7
201.16350	94.2
202.16745	3.5
203.14233	8.3
203.17894	17.1
204.14850	2.1
205.15851	72.4
206.16231	2.5
207.17456	5.1
209.03786	1.7
209.13254	3.3
211.14850	5.0
213.16359	10.8
215.14316	4.9
215.17844	8.6
217.15956	7.7
217.19479	5.3
219.17368	15.9
221.15387	3.6
223.14903	3.6
223.16962	3.7
225.16437	4.9
227.17888	11.1
229.16089	2.5
229.19543	7.7
231.17413	8.1
233.19078	3.4
239.17947	3.2
241.19617	5.4
243.17453	2.3
243.21037	2.2
245.18896	8.2
252.69492	1.8
253.19519	3.9
255.21138	6.0
257.19061	3.2
257.22754	2.0
263.12744	2.0
269.22528	2.7
283.24319	2.2
311.23441	2.8
313.25354	2.9
335.27466	3.4
337.25430	2.9
353.28430	6.6
365.28500	2.0
367.29901	2.2
389.32089	6.5
395.33252	7.1
397.34705	3.8
407.33087	47.8
407.38123	3.3
408.33487	4.2
425.25079	3.5
425.34229	97.8
426.29260	1.8
426.34229	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	425.341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45299	1.1
53.03936	1.6
55.05500	15.1
57.03407	2.8
57.07066	5.1
58.06880	1.1
65.03931	2.3
67.05499	24.1
69.03428	1.5
69.07056	22.0
70.88924	4.1
71.04967	1.6
71.08631	1.2
73.52940	1.0
73.76130	1.1
79.05487	23.3
81.03415	1.4
81.07048	42.8
83.04979	3.8
83.08611	10.6
85.06546	2.7
85.71920	1.1
87.23743	1.2
91.05468	26.1
93.07035	50.6
95.04961	3.5
95.08595	81.4
96.08926	2.7
97.06514	2.6
97.10139	3.1
99.08094	8.8
103.05452	3.8
105.07018	66.3
106.07320	1.5
107.08582	89.9
108.08917	2.1
109.06515	4.4
109.10145	44.3
111.08067	3.6
113.00037	1.5
113.09677	1.2
115.05453	1.9
117.06992	12.3
119.08570	90.3
120.08913	2.3
121.06555	2.1
121.10133	61.0
123.08092	4.4
123.11693	16.2
125.09603	2.7
128.06227	2.2
129.07013	3.5
130.07713	2.4
131.08551	38.6
132.08878	1.4
133.10114	59.0
134.10454	2.3
135.08034	5.9
135.11674	36.5
136.80453	1.1
137.09601	4.0
137.13226	5.4
142.07738	2.2
143.08540	11.9
144.09279	2.1
145.10109	63.6
146.10504	1.5
147.11667	68.9
148.12007	1.4
149.09633	2.8
149.13246	32.7
149.14449	1.6
151.11208	3.6
151.14853	1.4
155.08546	2.9
156.09328	2.9
157.10100	15.1
158.10826	3.3
159.11678	48.6
160.12268	2.3
161.09593	1.3
161.13243	29.1
161.14525	1.8
163.11145	11.3
163.14807	31.7
165.12769	3.0
169.10127	4.2
170.10931	3.6
171.11690	10.0
172.12401	4.2
173.13248	35.2
174.13690	2.0
175.11211	2.7
175.14809	32.2
177.12708	5.4
177.16370	22.3
179.14281	2.3
183.11673	6.2
184.12369	2.1
185.13245	14.2
186.14069	1.7
187.14803	58.7
188.15140	2.8
189.12709	2.6
189.16353	31.3
191.14288	6.8
191.17928	6.8
193.15807	1.2
195.13777	2.9
197.13229	4.2
199.14786	14.3
200.15291	1.7
201.16364	100.0
202.16710	3.2
203.14301	4.9
203.17941	35.5
205.15865	44.5
206.16225	1.2
207.17410	6.9
211.14845	4.5
213.16388	9.5
214.17004	1.3
215.14430	2.0
215.17928	10.6
217.15875	4.9
217.19501	6.7
219.17435	11.1
223.14793	2.0
223.16856	18.4
225.16452	3.4
227.17931	5.3
228.18692	1.4
229.19492	6.5
231.17451	4.3
235.17003	1.4
239.17934	2.8
241.19536	5.2
243.21126	3.7
245.19014	4.5
253.19551	3.1
255.21143	9.6
257.19037	2.4
257.22403	1.8
259.20529	2.2
265.19281	1.5
267.21078	1.8
269.22668	3.8
275.20215	2.1
301.21658	2.4
313.25323	1.3
353.28415	3.9
365.28387	3.0
389.31897	4.5
395.33264	1.5
402.01910	1.3
407.33038	28.0
408.33502	3.6
425.34131	83.9
426.34439	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	425.3408
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03934	2.7
53.29697	2.0
55.05511	16.7
55.28422	1.9
57.03426	2.4
57.07060	4.3
59.04939	2.2
67.05497	22.1
69.07067	21.8
69.69108	16.2
69.69520	4.4
79.05488	20.4
79.65205	2.0
81.07043	42.8
82.01060	2.3
83.04955	2.4
83.08609	8.7
84.25986	2.2
85.06551	3.6
91.05477	23.3
93.07033	54.2
95.04932	2.5
95.08593	77.2
97.06569	2.6
97.10145	4.0
98.21507	2.6
99.08083	9.7
105.07018	75.1
107.08578	79.4
109.06517	3.9
109.10141	46.7
111.08048	5.2
112.64455	2.2
116.45464	2.1
117.06998	10.9
119.08562	83.1
121.06473	3.2
121.10132	62.7
123.08056	5.5
123.11703	15.9
125.09641	3.0
129.06987	7.3
130.07817	3.0
131.08545	36.4
133.09167	4.2
133.10117	58.6
135.08060	6.6
135.11668	33.0
137.09612	2.4
137.13234	5.8
142.07765	3.6
143.08556	11.4
145.10121	65.5
147.11665	71.6
149.09651	5.3
149.13242	32.6
151.11159	6.2
155.08517	2.3
157.10088	15.7
158.10779	2.5
159.11676	46.4
161.09596	2.8
161.13239	27.3
163.11201	11.6
163.14796	31.9
165.12741	3.4
169.10104	4.4
170.10960	2.9
171.11676	12.9
172.12509	4.5
173.13252	29.6
175.11206	4.9
175.14790	30.2
177.12798	3.9
177.16347	23.5
177.58376	2.3
183.11688	8.5
185.13258	16.7
187.14795	63.1
189.12811	4.0
189.16333	28.1
190.13425	3.1
191.14233	4.0
191.18002	5.4
197.13242	3.1
199.14822	10.8
201.16354	87.2
202.16629	3.9
203.14345	5.7
203.17940	30.7
205.15848	50.7
207.17413	6.7
213.16351	10.5
215.17865	11.0
217.15883	4.6
217.19554	6.6
219.17447	12.0
223.14949	4.3
223.16840	17.6
225.16316	2.9
227.17906	8.1
229.19510	9.1
231.17572	3.8
239.18065	3.6
241.19434	6.0
243.20999	3.8
245.18956	4.2
253.19553	4.1
255.21120	6.1
269.22784	4.1
277.19736	3.0
301.21695	3.6
351.30743	2.3
353.28357	6.4
389.31854	7.2
395.33093	3.1
407.32986	32.3
425.34113	100.0
426.34546	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3409
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05496	14.1
57.03425	2.1
57.07066	4.9
57.69437	1.6
67.05492	26.3
69.03413	3.1
69.07059	18.5
69.69441	11.3
71.04976	3.0
71.08613	2.3
71.23821	1.5
79.05477	16.0
81.06602	3.0
81.07041	35.6
83.04964	3.4
83.08591	5.7
91.05461	13.4
93.07032	30.9
95.04939	2.1
95.08587	51.9
96.08939	1.8
97.06510	5.7
97.10149	4.0
99.08051	5.8
105.07009	30.6
106.07339	2.5
107.08571	41.0
109.06500	5.4
109.09406	2.8
109.10139	53.4
111.08073	4.1
117.06990	4.2
119.08564	45.4
121.10128	31.4
123.08069	2.7
123.11695	14.0
125.09620	3.2
129.06975	4.6
131.08528	14.5
133.10104	32.5
135.07962	5.3
135.11673	21.9
135.85091	1.7
137.09578	3.3
137.13194	7.8
142.07831	3.5
143.08514	8.9
145.10109	22.2
147.07993	4.0
147.11665	20.6
149.09592	3.4
149.13251	15.1
151.11162	3.2
155.08502	3.1
157.10095	10.5
159.11661	21.3
161.09581	3.7
161.13246	17.5
163.11238	2.2
163.14828	16.2
169.10094	3.9
171.11667	8.5
173.13258	17.6
175.11157	4.9
175.14787	15.3
177.16362	11.6
183.11700	6.6
185.13226	10.8
187.14792	17.7
189.16318	20.3
191.14255	2.7
191.17897	13.2
197.13155	4.2
199.14749	8.8
201.12723	2.3
201.16371	18.4
202.16670	2.1
203.14330	16.9
203.17979	13.5
205.15833	6.6
205.19525	2.6
207.17368	4.8
213.16322	5.6
215.17876	6.3
217.15788	5.9
217.19484	8.0
227.17776	4.4
229.19440	5.2
231.17348	3.1
235.16853	4.8
239.17807	3.3
241.19400	2.2
243.21060	3.2
255.21037	4.9
257.22568	3.8
269.18924	2.5
269.22452	2.1
271.20419	2.9
273.22083	2.2
313.67010	1.7
337.25607	1.9
389.31787	2.9
407.32886	20.5
425.33951	100.0
426.34332	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	425.3406
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
51.22631	0.8
53.03944	1.4
55.05510	6.3
56.99657	0.9
57.07059	2.9
59.04983	1.1
67.05490	10.2
69.07056	10.7
70.02968	1.1
70.03352	5.4
79.05476	10.1
81.07045	34.5
83.04959	1.2
83.08594	4.8
85.06521	1.2
87.04456	0.9
91.05464	9.0
93.07031	23.0
95.04945	1.7
95.08002	1.7
95.08594	30.3
97.10173	2.1
99.08065	2.0
103.05518	1.1
105.07013	23.4
106.07233	0.9
107.08582	38.5
109.06490	1.7
109.10131	17.4
111.08039	1.0
117.06995	3.2
119.08569	28.4
121.10123	22.6
122.10582	0.9
123.08051	2.1
123.11709	6.5
125.09559	1.2
129.06985	1.7
130.07689	1.3
131.08571	10.1
133.10101	22.1
135.08028	1.5
135.11650	10.6
137.09637	1.6
137.13240	9.1
143.08565	6.7
145.10107	18.5
147.11678	26.2
149.09610	1.4
149.13237	31.5
150.13672	1.1
151.11183	2.2
155.08510	1.4
156.09360	1.2
157.10110	8.6
158.10808	1.3
159.11687	15.3
160.12126	1.0
161.13232	8.9
163.14796	41.9
164.15164	1.5
169.10112	1.7
171.11678	7.3
172.12534	1.4
173.13243	11.2
175.11221	2.2
175.14824	11.9
177.12727	1.2
177.16342	7.9
179.71892	1.0
183.11641	2.3
185.13252	5.4
187.14796	14.8
189.16362	10.1
190.13509	2.8
191.17914	2.0
193.15865	1.5
197.13286	2.0
199.14786	4.9
201.16370	14.9
203.14473	1.0
203.17937	9.1
205.15804	5.5
207.17361	1.4
209.13232	1.9
211.14798	1.5
213.16365	8.4
215.17937	10.4
217.15865	1.1
217.19446	1.9
219.17349	1.6
223.16869	1.6
225.16342	1.5
227.17915	7.9
228.18675	2.0
229.19473	8.1
231.17513	1.7
237.16370	1.3
239.17934	2.7
241.19525	6.1
242.20184	2.5
243.21091	4.8
245.18982	1.2
253.19514	2.6
255.21034	16.6
256.21637	1.3
257.18979	1.3
257.22678	2.2
265.19528	1.3
267.20972	1.2
269.22559	10.7
275.20047	4.2
283.20395	1.2
285.22198	1.4
285.88977	1.0
295.24197	1.0
301.21603	16.8
311.23508	1.0
329.24875	1.2
335.27231	1.1
353.28214	1.5
389.31976	3.9
407.33035	14.9
425.34085	100.0
426.34396	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	425.3407
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03936	2.8
55.05500	14.0
57.03428	1.8
57.07048	7.4
57.47303	1.7
67.05497	21.9
68.50537	2.0
69.03431	2.1
69.07056	17.6
70.86735	5.9
71.04981	2.4
71.08613	3.4
79.05483	17.6
81.07043	41.6
83.04955	3.4
83.08603	13.2
83.32755	1.8
85.06521	2.7
91.05466	23.9
93.07030	50.5
95.04937	4.2
95.08004	4.0
95.08591	69.3
96.37029	1.8
97.06500	2.4
97.10131	5.3
99.08073	23.9
105.07005	50.5
107.08576	75.6
108.08876	2.1
109.06473	4.2
109.10141	58.5
110.10469	2.7
111.08063	8.1
111.11660	3.2
112.99965	3.3
116.06953	1.7
117.07001	8.1
119.08561	75.6
121.06481	2.4
121.09251	3.4
121.10128	59.6
122.10467	4.3
123.08019	4.1
123.11699	16.6
125.09621	4.9
127.07537	5.6
129.06985	4.4
130.07719	1.7
131.08540	31.1
133.10109	61.8
134.10623	2.0
135.08047	14.7
135.11661	36.9
137.09547	5.4
137.13226	6.1
142.07794	3.5
143.08577	13.8
144.09258	3.0
145.10104	43.1
147.11667	41.2
148.12059	1.9
149.09573	6.0
149.13254	24.1
151.11108	3.6
151.14804	3.1
155.08585	3.1
156.09311	2.8
157.10091	19.3
158.10875	2.8
159.11676	42.5
161.09605	5.6
161.13243	29.0
163.11137	7.4
163.14799	19.8
165.12755	3.7
169.02606	3.5
169.10110	6.7
170.10875	4.8
171.11664	17.8
173.13237	29.1
173.54764	2.2
174.13618	2.7
175.11163	9.7
175.14810	20.0
177.12766	5.8
177.16376	16.2
179.14246	3.6
181.68269	2.3
182.10809	3.0
183.11697	10.9
183.13104	2.0
185.13231	24.9
187.14796	45.3
188.15239	3.4
189.12688	4.8
189.16383	25.9
190.13200	1.7
191.14291	5.4
191.17949	9.3
193.15834	5.2
197.13239	5.6
199.14778	19.6
201.16357	96.1
202.16682	3.5
203.14288	10.7
203.17921	14.4
205.15883	20.8
205.19612	2.2
206.16159	2.0
207.17366	3.6
209.13284	3.0
211.14813	7.0
213.16386	13.9
213.92606	2.0
215.14267	5.1
215.17938	8.6
217.15820	10.0
217.19476	6.1
219.17397	7.1
223.14879	2.5
223.16902	3.5
225.16316	3.7
227.17949	8.3
229.19460	4.1
231.17366	10.1
233.18910	3.4
235.17012	2.6
239.17831	2.3
241.19514	5.9
243.17387	4.7
243.21100	2.0
245.18983	9.4
253.19496	4.1
259.20593	2.9
261.21832	2.3
271.20630	2.4
272.28003	1.8
281.22626	2.5
285.21930	2.3
302.08151	2.4
319.24197	2.2
335.27176	3.3
337.25311	3.5
339.26752	3.5
351.26846	2.9
353.28415	4.4
369.91888	1.9
389.32062	5.5
395.33020	5.4
407.33057	50.4
408.33432	6.3
425.21777	3.0
425.34085	100.0
426.34320	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	425.3409
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
50.48695	1.3
55.05503	9.0
57.07070	5.9
67.05495	15.0
69.03407	6.3
69.07057	20.7
69.64584	3.6
69.65005	7.0
71.04958	1.8
71.08607	2.7
79.05483	12.6
79.44216	1.1
79.71658	1.2
81.06603	2.1
81.07049	31.3
83.04967	3.0
83.08606	8.1
85.06513	1.6
91.05452	11.7
93.06504	2.3
93.07032	26.2
95.04929	3.9
95.07996	2.5
95.08594	39.8
96.08959	1.5
97.06506	2.3
97.10136	4.5
105.07012	17.1
107.08578	41.3
109.06509	5.8
109.10143	32.8
111.08078	3.1
111.11691	1.3
113.00012	6.8
117.06969	4.1
119.08559	34.2
121.06503	2.2
121.10133	36.5
123.08055	6.4
123.11687	17.3
125.09604	2.4
128.06181	2.2
129.06992	3.2
131.08549	12.0
132.95792	1.2
133.06473	3.3
133.10115	24.1
134.79974	1.3
135.06982	1.2
135.08025	3.7
135.11668	25.2
137.09615	2.4
137.13231	5.0
139.11156	5.1
141.06964	1.4
141.09128	1.5
142.07761	2.7
143.08545	8.2
145.10094	20.1
147.07994	3.3
147.11668	18.8
149.09593	1.4
149.13246	13.9
151.11177	9.9
155.08487	1.9
156.09320	1.9
157.10121	10.0
158.10872	2.7
159.08076	1.3
159.11694	19.0
160.12225	1.2
161.09598	1.9
161.13232	16.5
163.11150	8.2
163.14795	7.1
165.11479	2.2
165.12733	22.6
167.14313	4.9
169.02605	7.3
169.10222	2.7
170.10863	2.0
171.11658	11.7
173.13249	13.8
175.11192	4.1
175.14815	10.2
177.12743	7.5
177.16382	4.9
179.14307	8.4
180.76422	1.2
183.11646	4.0
185.13217	6.5
186.13838	1.7
187.11192	1.5
187.14801	13.8
189.12714	6.4
189.16383	8.0
191.14278	10.8
191.17967	2.8
195.11621	2.2
197.13264	4.2
199.14784	7.4
201.12709	2.2
201.16359	7.5
203.14302	12.7
203.18025	3.0
205.15863	4.9
211.14842	2.3
213.16348	5.7
215.14388	2.9
215.17917	7.3
217.15863	21.4
217.19434	2.0
219.17406	2.7
224.15533	1.5
225.16420	2.5
227.17873	6.9
229.15897	2.7
229.19510	4.6
231.17464	3.0
233.18951	1.7
239.18033	2.8
241.16029	1.5
241.19482	4.5
243.17430	2.0
243.21066	21.8
244.21497	1.5
245.19081	2.3
251.17845	2.0
253.19505	7.3
255.17279	1.9
255.21028	3.1
257.18997	8.2
259.20517	1.4
261.22137	16.6
267.21005	2.6
269.18759	1.8
269.22653	3.9
271.20563	10.8
273.22174	3.6
283.20480	2.2
285.22076	6.1
293.22781	1.9
297.22256	1.7
299.23688	1.8
311.23730	2.6
313.27188	2.3
389.31946	4.0
395.32370	1.3
402.28531	1.4
407.32996	22.5
408.33154	2.4
425.34076	100.0
426.34299	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	425.3408
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
50.87452	1.1
53.03934	3.4
55.01857	1.5
55.05505	18.5
57.03416	1.4
57.07066	6.1
59.04988	2.4
65.03941	3.2
67.05495	32.8
68.98355	1.1
69.03416	4.6
69.06694	1.6
69.07061	24.7
69.07425	2.0
69.63580	4.2
69.64005	4.9
70.06601	1.4
71.04978	3.5
71.08635	3.0
71.99689	1.1
77.03899	1.5
79.05480	27.0
81.03422	4.1
81.07047	51.0
83.04978	11.9
83.08616	15.3
85.02893	1.4
85.06536	4.0
91.05466	36.0
93.07033	57.2
95.04952	8.1
95.08594	72.8
96.89462	1.2
97.02895	1.4
97.06499	7.5
97.10161	4.5
98.21409	2.6
99.08080	17.7
100.11239	2.2
105.07014	71.0
107.04926	2.7
107.08580	85.7
108.08892	1.6
109.02852	1.9
109.06499	6.8
109.10146	41.7
110.10488	1.4
111.08097	3.6
111.11781	1.6
113.00002	3.1
115.05462	2.2
117.03414	1.8
117.07011	12.7
119.08563	100.0
120.08917	2.8
121.06505	3.2
121.10126	57.7
123.08044	7.6
123.11684	15.3
125.09635	4.9
127.03934	1.1
128.06216	2.4
129.07011	4.8
130.07771	3.6
131.04886	1.2
131.08545	45.6
133.06558	1.2
133.10114	56.4
134.10431	1.5
135.08022	7.9
135.11676	34.0
137.09612	4.6
137.13263	3.9
139.11201	4.8
141.07018	2.6
142.07776	4.3
143.08539	15.6
144.09322	3.8
145.02866	4.1
145.10101	54.5
146.10500	2.7
147.08081	4.3
147.11667	71.4
148.11998	1.6
149.02386	4.1
149.09630	4.8
149.13222	27.1
150.13622	1.4
151.07581	1.7
151.11215	4.1
151.14832	1.8
155.08578	4.8
156.09326	4.1
157.10127	22.6
158.10909	4.7
159.08058	2.5
159.11664	44.2
159.12930	2.4
160.12219	1.4
161.06070	1.1
161.09676	3.6
161.13232	23.4
161.14516	1.5
163.03906	1.7
163.11171	13.2
163.12259	1.2
163.14809	17.2
164.91782	1.5
165.09128	4.8
165.12770	3.6
169.02632	2.9
169.10129	6.0
170.10939	4.0
171.08014	1.4
171.11678	17.5
172.12390	2.6
173.09692	1.8
173.13245	31.3
174.13698	1.6
175.11221	6.0
175.14799	26.5
176.15175	1.9
177.05428	6.5
177.12775	8.2
177.16367	19.7
179.14368	1.3
181.10193	2.4
183.11658	5.7
184.12447	1.4
185.09641	1.4
185.13228	18.2
186.13980	1.8
187.11201	2.0
187.14792	49.3
188.15198	2.6
189.12732	3.3
189.16359	24.4
190.16800	1.7
191.14282	6.2
191.17903	7.6
193.04944	5.8
193.12332	1.4
193.15929	2.3
195.11740	1.3
195.13776	1.5
197.09703	1.2
197.13260	7.9
199.14774	17.3
200.15331	1.3
201.16359	73.6
202.16731	2.9
203.14284	7.3
203.17918	24.2
204.18427	1.8
205.15849	42.7
205.17677	2.6
206.16261	2.1
207.11717	1.9
207.17445	7.0
209.13278	2.1
211.14784	6.0
213.16299	7.6
215.14386	4.1
215.17987	8.2
217.15894	8.3
217.19582	4.7
219.17484	9.9
221.13409	1.4
221.15347	1.8
221.19002	2.6
223.14980	2.4
223.16953	8.1
225.16426	4.4
227.17888	6.5
229.15910	3.5
229.19557	4.1
231.17319	5.6
231.21004	2.3
233.19037	2.0
237.07549	9.0
237.16388	2.1
239.17982	2.5
241.19554	4.3
243.17596	2.2
245.19118	5.0
249.16464	1.5
251.11006	1.2
253.19493	2.3
255.21158	4.8
257.19293	1.8
259.20636	3.0
261.22089	1.9
263.18213	1.5
269.22617	2.3
271.20633	1.4
275.20050	1.2
279.21164	2.6
281.22729	2.5
283.20572	2.5
295.20779	2.1
295.24133	2.0
313.25250	1.6
319.24219	1.3
335.27295	2.2
337.25262	1.5
341.28302	1.7
349.29037	1.7
351.26877	1.9
353.28500	3.3
365.28400	2.4
367.29926	7.1
371.61777	1.3
389.32181	4.4
395.33136	3.9
397.34680	1.7
407.33118	32.8
407.38101	2.5
408.33334	2.9
425.25180	2.3
425.34225	73.2
426.34564	5.0
443.12686	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3773
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.60248	1.6
53.03936	1.7
55.05504	12.2
57.07056	4.1
67.05498	35.4
69.07066	24.6
70.74748	3.0
70.75142	3.3
79.05487	13.5
80.11783	1.5
81.07050	48.8
83.08617	10.7
83.16601	2.4
91.05462	13.6
93.07036	27.7
95.08599	63.5
97.10158	3.5
105.07021	30.6
107.08583	51.2
108.08938	1.5
109.06466	2.0
109.10147	100.0
111.08086	4.8
111.11671	3.1
117.07024	4.4
119.08570	41.5
121.10136	40.4
123.08146	1.7
123.11702	21.5
125.13299	1.8
131.08546	7.4
133.10126	30.9
135.11678	30.7
137.13242	9.8
145.10115	11.5
147.11667	36.4
149.13243	21.0
151.11134	3.4
151.14876	3.9
155.44679	1.9
157.10161	2.9
159.11674	13.0
161.13245	31.1
163.14825	15.8
165.12665	1.7
171.11661	2.5
173.13240	8.3
175.14833	13.4
177.16339	7.6
179.14326	6.5
185.13264	4.9
186.69864	1.6
187.14787	9.2
189.16379	18.3
191.17917	23.0
199.14764	3.9
201.16359	10.6
203.17934	34.9
204.18274	2.9
205.15819	3.0
205.19463	11.7
207.17380	11.1
213.16364	3.0
215.17921	16.1
217.19507	33.9
219.21082	2.9
221.18950	4.8
227.17967	3.7
229.19366	4.1
233.19025	2.1
241.19476	2.8
243.21101	2.8
245.22656	3.9
251.88113	1.9
255.21002	4.2
259.24249	2.0
269.22549	2.8
271.24112	5.5
273.21973	2.0
282.30908	1.7
283.24231	3.9
285.25656	3.6
315.26758	1.8
351.30576	2.1
369.31909	3.0
407.32269	2.1
407.36826	20.8
425.38217	51.5
426.38205	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	425.3773
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03942	1.3
55.05504	16.0
57.03421	1.4
57.07076	6.0
65.03915	1.6
67.05499	33.1
69.07055	24.2
69.46365	5.3
69.46798	6.6
71.08615	1.3
75.55288	1.2
79.05486	17.7
81.07047	64.7
83.04966	1.7
83.08608	13.6
91.05462	17.2
93.07034	44.6
95.04987	2.9
95.08595	100.0
97.06512	5.5
97.10140	8.0
99.08096	1.5
105.07012	38.5
107.08579	72.8
108.08917	2.1
109.06530	1.9
109.10143	81.7
111.08094	2.1
111.11711	4.7
117.07017	2.9
119.08564	42.7
121.10133	52.8
123.08065	5.2
123.11696	30.7
125.09610	6.3
127.11186	2.1
127.23901	1.2
129.06938	1.4
131.08548	7.8
133.10117	34.4
135.08005	2.2
135.11676	45.7
136.11981	1.1
137.09669	1.6
137.13243	17.0
143.08542	2.0
145.10132	12.8
147.11674	33.6
149.09628	1.5
149.13246	30.9
150.13551	1.4
151.11191	1.8
151.14790	4.4
151.53110	1.3
157.10109	3.1
158.10867	1.7
159.11679	17.6
161.13255	29.4
163.14787	23.7
165.09267	1.4
165.12718	3.3
171.11710	3.3
173.13248	9.2
175.14812	10.8
177.16417	10.6
179.14311	9.2
185.13239	3.0
187.14803	12.3
189.16374	20.7
191.17917	39.0
199.14818	3.5
201.16376	13.7
203.14299	1.7
203.17929	26.0
205.15826	3.6
205.19473	10.8
207.17406	4.8
213.16312	1.8
215.17941	9.7
217.16077	2.2
217.19481	30.4
219.17499	2.3
219.21065	4.2
227.17892	2.5
229.19579	4.8
231.21042	1.8
233.18991	4.8
235.20509	3.3
239.03616	1.1
241.19490	2.1
243.21027	4.5
245.22694	4.3
255.21022	1.8
257.22598	4.9
269.22729	1.5
271.24219	3.0
273.22064	1.3
283.20749	1.4
322.31085	2.9
397.50119	1.6
407.32217	2.6
407.37140	14.1
408.37485	1.3
411.56439	1.4
425.38226	42.4
426.38321	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.05500	17.5
57.03432	2.1
57.07058	6.1
65.03922	2.4
67.05498	35.2
69.03389	2.3
69.07061	31.6
71.00271	1.8
71.04974	1.7
79.05481	19.5
79.16679	1.5
81.07045	68.7
83.08607	14.6
89.02132	1.5
91.05470	17.4
93.07028	51.5
95.04943	3.5
95.08591	100.0
96.69298	1.5
97.06522	6.1
97.10164	7.6
98.20686	4.4
99.31119	1.5
100.52624	1.6
103.05460	1.7
105.07014	39.3
107.08578	73.9
108.08901	2.0
109.06526	2.6
109.10136	82.7
111.08048	3.3
111.11738	4.0
112.26446	1.6
117.06987	3.8
119.08566	47.4
121.10123	56.8
123.08085	4.9
123.10875	2.5
123.11696	30.6
125.09602	5.2
127.11175	3.5
129.07019	1.5
131.08578	10.0
133.09175	2.4
133.10123	36.7
135.08034	3.9
135.11679	47.5
137.13235	18.8
139.11128	2.3
143.08655	3.7
145.10081	15.3
147.08012	3.0
147.11662	33.1
149.13242	36.5
151.00366	1.6
151.11134	2.0
151.14832	3.6
155.08609	1.8
157.10085	4.7
159.11661	16.2
161.13245	32.2
163.14803	25.0
165.12762	2.4
165.16258	2.0
169.10046	2.2
171.11697	3.9
173.13252	11.0
174.13870	2.1
175.14804	14.5
177.16377	10.6
179.14310	6.4
183.11646	3.0
185.13271	3.9
187.14781	13.7
189.16368	24.8
191.17914	37.1
192.18230	2.4
199.14778	3.1
201.16374	15.3
203.14314	7.0
203.17924	26.0
205.15877	6.3
205.19461	8.5
207.17400	7.3
213.16463	3.3
215.17921	10.1
217.15962	2.1
217.19514	26.7
219.17461	4.1
219.21068	3.5
221.18994	2.5
225.16374	2.2
229.19579	4.6
231.17523	1.9
231.20953	3.1
233.18968	3.7
235.20546	3.3
243.21045	4.1
245.22662	3.3
255.21028	3.3
257.22598	5.3
283.23944	1.8
297.22620	1.9
297.25681	2.7
299.27292	2.8
391.15176	1.7
407.32565	5.0
407.37137	16.2
425.33798	30.6
425.37891	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3771
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.02357	1.5
53.03944	1.7
55.05497	15.4
57.07066	8.4
60.44868	1.4
61.98702	1.3
67.05496	33.1
69.03415	3.4
69.07059	29.7
70.67276	1.4
71.08616	2.7
71.71130	2.7
79.05483	22.9
81.07044	73.1
82.07384	1.7
83.08600	15.4
91.05467	15.0
93.06432	2.2
93.07028	45.3
94.07349	2.1
95.04931	1.9
95.08591	100.0
97.06525	8.6
97.10160	10.1
99.08098	2.4
105.07014	35.6
107.08577	75.9
109.06522	3.1
109.10140	76.7
111.08040	4.7
111.11681	2.2
117.07035	2.1
119.08565	44.4
121.10131	56.0
122.10464	2.1
123.08060	3.7
123.11691	39.7
125.09635	6.0
127.11223	2.6
128.06192	1.7
131.08521	7.8
133.10121	31.7
135.11673	51.7
137.09650	2.0
137.13231	24.6
142.07668	1.5
143.08473	3.4
145.10120	18.2
147.11664	36.5
147.12857	1.8
149.13229	34.3
151.11185	2.1
151.14798	4.6
153.12816	1.4
157.10123	4.7
158.10664	1.8
159.11664	18.4
161.13231	32.0
163.14806	25.3
165.12640	3.2
170.10831	2.0
171.11690	3.0
173.13252	8.6
175.14804	13.9
177.16368	13.4
179.14299	6.1
183.11732	1.5
185.13203	5.0
187.14818	13.1
189.16360	26.9
191.14348	1.9
191.17915	46.8
199.14694	2.6
201.16365	14.1
203.14346	7.4
203.17946	33.7
205.15891	5.3
205.19514	13.6
207.17459	11.1
213.16367	2.4
215.17923	14.3
217.16080	2.1
217.19472	34.6
217.21466	2.4
218.19681	1.6
219.17497	3.3
219.21016	4.0
227.17964	2.8
229.19467	6.5
231.21071	2.8
233.19058	5.2
235.20624	2.8
243.21043	2.0
245.22690	4.0
255.21201	1.9
257.22681	5.4
259.24106	1.9
269.22672	2.0
271.24246	2.5
285.25766	2.2
339.30316	2.6
407.32211	2.6
407.37021	17.0
425.33435	11.6
425.38556	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23616	1.2
51.49686	1.3
53.03920	1.9
55.05505	13.7
57.07056	7.1
61.91235	1.5
67.05492	24.0
69.07056	22.9
69.63297	10.2
71.08597	2.7
72.40706	1.4
79.05477	14.6
81.07046	61.1
83.08614	11.0
91.05457	12.5
91.75642	1.5
93.07024	28.5
95.04924	2.6
95.08591	100.0
96.08957	2.0
97.10168	6.8
98.21508	2.8
99.08090	2.6
103.61892	1.3
105.07009	26.2
107.08578	46.2
107.86499	1.4
109.09398	2.7
109.10137	45.2
110.10457	1.3
111.08041	2.3
111.11701	3.2
112.99982	4.5
113.09621	1.7
117.07011	3.2
119.08549	33.9
121.10121	38.5
123.08051	2.3
123.11689	23.3
125.09593	2.9
131.08565	8.9
133.10109	23.8
135.11678	25.6
137.12233	3.0
137.13235	31.8
139.11171	1.9
143.08536	4.8
145.10110	10.8
147.11673	21.2
149.13220	21.7
151.14740	2.7
157.10095	5.0
159.11655	13.0
161.13234	18.1
163.14774	17.1
165.12451	1.3
169.02586	4.6
169.10052	2.1
170.10826	1.9
170.44917	1.4
171.11678	4.9
173.13263	8.9
175.14809	15.8
177.16354	15.4
179.14334	2.1
179.17886	1.9
183.11639	2.8
185.13239	3.0
187.14764	10.8
189.16350	13.4
191.17917	32.8
199.14847	2.1
201.16336	9.4
203.14264	2.0
203.17883	15.2
205.15891	3.9
205.19516	6.0
207.17305	2.3
213.16484	3.0
215.17920	8.8
217.19466	23.5
221.19089	2.0
227.17889	4.2
229.19501	7.9
231.17465	2.3
231.21022	2.2
233.19113	4.1
235.20563	3.9
241.19489	3.1
243.20950	2.7
245.18866	2.5
245.22630	4.8
247.20496	4.9
255.20892	2.4
257.22559	5.1
269.22507	3.0
269.94254	1.5
271.24127	1.6
273.22034	1.4
313.27725	2.0
379.33688	1.6
395.36749	3.5
397.38235	3.8
407.32526	4.7
407.37469	9.8
425.33453	8.9
425.38568	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3771
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03945	2.1
53.96218	1.5
55.05511	10.7
57.07068	4.6
59.63095	1.4
65.03924	2.9
67.05501	22.4
68.23557	1.4
69.07062	25.7
69.50491	2.5
69.50890	13.5
79.05486	16.4
81.07047	59.2
83.08607	9.8
91.04955	2.0
91.05458	13.5
91.73103	1.6
93.07031	42.8
95.04992	1.6
95.08596	100.0
97.10162	9.1
100.95085	1.4
105.07019	35.7
107.08580	67.9
109.10146	59.9
111.08038	2.2
111.11690	4.4
111.12382	1.5
111.77122	1.4
117.07035	3.4
119.08569	36.4
120.50200	1.6
121.10136	50.6
123.08028	1.9
123.11684	26.2
124.02197	1.7
125.09592	3.1
131.08566	6.3
133.10117	34.3
135.11673	37.0
137.13232	14.9
139.11182	3.8
143.08582	2.7
145.10110	13.4
147.11671	26.6
148.11935	1.6
149.13240	39.0
151.14815	1.7
157.10117	2.7
159.11685	12.9
161.13235	27.7
163.14798	23.0
165.12683	3.5
169.92908	1.7
171.11679	1.6
173.13245	10.6
175.14799	15.9
177.16370	15.9
179.14275	9.0
185.13214	1.7
187.14793	9.5
189.16331	15.8
191.17918	50.5
197.13277	2.2
201.16348	6.4
203.17934	22.9
205.15759	1.9
205.19501	13.3
207.17464	2.3
213.16423	3.1
215.17937	8.8
217.19501	30.0
219.17607	2.4
227.17928	2.3
229.19522	7.7
231.17525	2.3
231.21124	6.2
233.19023	5.4
235.20587	6.0
243.21106	3.5
245.22562	6.5
247.20503	3.4
257.22729	2.1
269.22681	1.7
271.24210	2.9
278.40598	1.5
283.24133	2.1
283.69183	1.8
287.23679	2.3
305.31049	1.7
311.27167	2.0
407.32111	2.9
407.37152	16.4
425.38104	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60277	1.5
52.43341	1.7
53.03928	2.0
55.05500	15.2
57.07063	6.3
63.36929	1.4
67.05490	26.1
69.07052	25.6
70.89738	1.4
71.04984	10.1
71.08614	2.2
71.32009	3.0
79.05476	13.9
79.82280	1.7
81.07041	53.0
83.08611	10.6
91.05454	15.2
92.11023	1.7
93.07027	49.2
95.04958	2.4
95.08589	89.8
97.10142	5.7
99.08057	4.6
105.07013	34.3
107.08574	69.6
109.10136	71.4
111.11685	3.8
117.06975	3.4
119.08558	58.3
120.08790	1.8
121.10123	66.6
123.11688	36.0
125.09615	1.6
127.11169	19.6
129.06921	1.8
131.08549	7.7
133.06453	2.0
133.10100	59.8
135.11668	59.1
135.12460	1.0
135.91196	1.7
137.13229	18.4
143.08546	2.8
145.10118	15.4
146.10916	1.7
147.11664	47.6
149.13232	55.0
151.14767	2.0
157.10072	4.2
159.11681	17.3
161.13225	31.6
163.14801	17.0
171.11632	4.1
173.13188	11.5
175.14810	16.3
177.16374	8.1
185.13193	2.0
187.14819	9.9
189.16357	26.0
191.17908	100.0
192.18237	2.3
193.15578	2.1
199.14766	2.5
201.16348	12.0
203.17902	38.3
205.19479	13.0
213.16440	1.8
215.17923	9.0
217.19469	43.6
217.21481	3.1
219.17487	1.6
219.20938	2.1
221.18930	2.6
229.19496	4.4
231.21086	4.1
233.19020	7.2
235.20528	3.1
241.19547	1.7
243.21071	6.2
245.22615	2.3
255.20871	1.7
257.22592	7.1
269.22641	1.5
271.24362	1.4
286.71945	1.6
323.27277	2.2
327.30655	1.8
407.36890	12.1
425.38153	43.1
426.38272	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	425.377
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
54.66161	2.9
54.73010	3.2
55.05488	21.4
57.07059	7.0
67.05489	36.2
69.07055	53.7
70.96869	9.9
71.04970	4.8
76.82629	3.6
79.05484	21.6
81.07043	100.0
83.08606	20.2
85.72198	3.9
87.09570	3.1
90.20791	4.1
91.05468	18.7
92.39517	3.3
93.07024	54.9
95.08588	87.9
97.10137	6.6
105.07007	37.7
107.08561	65.5
109.10136	65.7
111.11713	7.6
119.08546	34.7
121.10126	56.7
123.07990	4.3
123.11687	33.0
125.09627	4.7
125.30021	3.7
127.11189	11.9
131.08540	11.1
133.10114	37.4
135.11662	44.3
137.13234	18.1
139.11137	4.1
141.18370	3.3
143.08542	4.5
145.10081	24.6
147.11635	29.6
149.13240	27.5
151.14732	3.8
157.10156	10.4
159.11665	25.2
160.12502	3.7
161.13226	31.3
161.27797	3.6
163.14816	12.0
171.11700	6.0
173.13187	18.8
175.14778	19.0
177.16348	17.8
183.11543	4.8
185.13249	6.0
187.14827	15.3
189.16373	19.1
191.17955	13.1
201.16335	10.1
203.18011	11.5
213.16399	6.2
215.17953	13.8
217.19559	15.9
229.19473	12.5
231.21069	7.7
241.19336	4.7
243.21161	4.0
252.94591	3.6
257.22693	7.2
285.25751	4.0
301.25049	3.8
343.29938	4.2
355.29858	4.1
407.36679	18.0
425.37903	70.1
428.05151	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.377
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.73002	2.3
53.03927	4.6
55.01857	2.2
55.05503	22.7
57.07056	10.4
62.04775	2.3
67.05492	47.0
69.07053	58.9
71.04961	2.9
71.08614	2.6
79.05487	24.1
81.07040	97.7
83.08590	17.1
85.06502	3.6
91.05463	16.3
93.07027	50.2
95.04919	3.4
95.08589	100.0
97.06509	6.0
97.10135	11.1
105.07011	43.1
107.08578	62.5
109.06493	2.8
109.10141	74.2
109.10876	5.0
111.11686	18.1
119.08556	39.8
119.34222	2.4
121.10116	50.5
123.08044	4.0
123.11682	38.8
125.09567	4.2
131.08533	9.4
133.10100	30.8
135.11664	42.2
137.09586	5.6
137.13188	16.1
143.08566	3.5
145.10060	15.7
147.11642	29.8
149.13226	35.6
151.11162	8.8
151.14796	4.5
152.95554	2.5
157.10101	4.7
159.11656	18.9
161.13242	18.8
163.14789	12.7
171.11674	2.7
173.13292	16.7
175.14751	13.5
177.16402	19.2
185.13261	4.2
187.14786	10.6
189.16354	15.8
191.17914	11.6
195.17393	5.7
199.14706	5.6
201.16362	7.9
203.17844	13.1
205.19492	2.6
213.16328	5.2
215.17958	9.1
217.19484	8.9
227.17865	5.5
229.19489	6.5
231.21043	3.7
233.18913	10.5
243.20976	3.0
255.21152	2.8
259.24274	5.4
271.24207	5.5
283.23904	4.0
343.29913	4.7
407.36835	18.5
425.32861	5.0
425.38367	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	425.377
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05506	23.7
57.07056	12.5
62.81191	3.7
67.05487	40.3
69.07052	55.7
71.04968	6.3
71.08613	4.3
79.05470	16.6
81.07043	86.3
83.08620	22.4
85.06505	4.3
87.18401	3.6
91.05462	20.2
91.05976	4.5
93.07031	56.2
95.08593	95.0
97.10162	10.7
105.07003	42.4
107.08575	72.7
109.06512	5.1
109.09415	5.7
109.10138	81.2
111.11701	4.3
117.07001	4.2
119.08556	38.0
121.10130	52.6
123.11682	39.5
127.11201	7.6
127.81400	3.7
130.07855	3.8
131.08531	13.0
133.10124	29.5
135.11661	47.9
137.13181	13.7
143.08527	5.8
145.10106	24.0
147.11659	35.2
149.13242	36.4
151.14819	5.9
157.10048	4.4
159.11661	18.0
161.13197	23.6
163.14758	19.4
171.11697	8.9
173.13223	16.6
175.14775	21.6
177.16345	13.9
185.13318	4.7
187.14774	13.6
189.16353	15.4
191.17918	10.5
195.17584	4.2
199.14740	4.9
201.16365	13.6
203.17883	19.8
207.90935	4.2
213.16333	6.2
215.17865	14.9
217.19467	11.5
225.86899	3.9
227.17955	5.1
229.19507	15.2
231.20982	9.7
257.22574	8.7
259.24045	4.4
283.24066	7.5
285.25549	7.5
289.14328	3.8
407.36777	18.6
425.38007	100.0
426.38232	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	425.377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12861	3.7
55.05503	28.4
57.07058	9.5
61.56530	3.4
65.03912	4.3
67.05492	43.7
69.07050	43.1
69.97041	20.7
79.05488	28.9
81.07047	83.1
83.04964	4.9
83.08621	22.8
83.24047	3.2
83.35316	3.9
88.41074	3.6
91.05468	16.7
93.07023	44.2
95.04935	4.8
95.08591	100.0
97.07098	4.0
97.10193	11.3
98.20765	4.4
105.06997	36.2
107.08578	55.2
109.10141	57.6
111.11716	7.8
114.14643	4.5
117.07015	6.6
119.08549	39.8
121.10137	36.8
123.11698	26.0
125.85281	3.7
131.08565	9.8
133.10089	31.7
135.11665	33.7
137.13268	11.7
143.08499	6.5
145.10089	17.2
147.11656	23.5
149.09682	6.1
149.13219	23.2
157.10155	8.2
159.11693	14.6
161.13246	14.1
163.14799	15.4
171.11763	4.7
173.13301	5.6
175.14830	16.4
177.16403	13.6
187.14774	7.7
189.16348	8.3
191.17978	18.0
199.14819	9.1
201.16309	10.1
203.14244	11.0
203.17964	5.3
205.19400	5.1
209.27040	4.4
215.17969	6.3
217.19398	8.1
227.17896	7.5
229.19531	5.0
233.18842	6.1
245.22722	4.5
287.35608	3.8
407.32306	8.3
407.36752	14.1
425.33344	68.7
425.38373	19.3
426.33954	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	427.157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.2
57.04549	0.6
59.04977	0.1
67.05494	0.2
67.97372	0.1
69.03411	0.5
69.81664	0.9
70.06581	0.5
72.08137	0.1
81.03361	0.1
81.07011	0.1
82.04045	0.2
83.04984	0.2
85.02889	0.6
91.05475	0.3
93.07040	0.2
94.04028	1.5
96.05588	0.2
96.49087	0.1
97.02882	0.3
105.07004	0.2
107.08588	0.2
108.04387	0.2
109.05134	0.2
112.05075	0.4
113.97919	0.1
114.33904	0.1
119.03549	0.2
120.08087	0.2
121.06496	0.2
121.10122	0.1
123.04440	0.2
123.06667	1.3
127.03908	0.2
133.05080	0.3
135.05367	0.1
145.04970	0.2
147.04118	0.1
148.06093	0.1
150.07730	100.0
151.08133	1.4
179.03430	0.2
191.10648	0.2
201.05498	0.2
203.12735	0.2
247.17029	0.2
265.12415	0.2
282.11951	0.7
295.11459	17.2
296.11819	0.3
331.12827	0.1
427.19742	1.1
428.19617	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99779	1.2
53.03940	11.3
55.01861	14.6
55.05499	14.8
55.47879	1.2
57.03168	1.3
57.03429	19.4
57.07051	4.8
59.04977	2.3
61.02895	3.2
65.03934	2.0
67.05494	23.8
69.03419	43.1
69.07058	9.9
71.01328	2.7
71.04977	14.3
71.16379	1.5
71.16724	2.8
73.02899	1.3
78.82586	1.3
79.05481	26.1
81.03403	100.0
81.07048	22.2
82.03723	1.7
83.01311	4.1
83.04964	33.6
83.08606	10.0
85.02892	13.9
85.06499	1.8
87.04436	2.2
91.05454	12.6
93.03371	1.7
93.07029	30.8
95.04960	7.6
95.08584	15.0
97.02877	40.2
97.06513	11.3
97.10143	3.7
99.04453	15.2
99.08130	1.6
101.02357	1.5
105.07018	9.1
107.04945	7.5
107.08572	23.8
109.02860	18.8
109.06496	4.0
109.10107	9.2
111.04422	20.8
111.08060	7.0
117.07002	6.1
119.08548	10.0
121.06462	3.1
121.10109	11.8
123.04369	1.6
123.08026	3.2
125.05932	1.9
125.09586	4.2
127.03898	27.6
129.05511	2.7
131.08571	6.3
133.10085	4.2
135.08035	3.1
135.11665	27.2
143.08568	1.5
145.04907	1.8
145.10089	16.4
147.04234	1.3
147.08003	1.4
147.11667	4.1
149.09612	2.2
150.61333	1.2
153.12715	25.1
155.08545	1.5
157.10104	1.3
159.11575	1.5
161.13197	2.2
163.11162	28.0
163.14801	1.9
171.11636	1.4
173.09599	5.7
173.13300	1.6
181.12186	22.6
183.62122	1.2
185.13226	1.4
189.11211	2.4
189.16377	2.2
191.10643	13.1
191.17941	2.0
201.16405	1.5
203.17958	3.1
205.15886	1.5
209.11699	11.1
227.12743	43.4
228.13098	1.7
254.70580	1.5
255.15858	1.3
283.15225	2.9
353.15826	14.0
371.16898	1.3
427.19574	96.8
427.35693	9.2
428.19919	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	427.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.01855	4.5
55.05505	24.5
57.03440	7.0
57.37291	1.3
59.04997	6.8
61.02906	4.4
62.48100	1.2
67.05479	7.1
69.03423	23.4
69.07059	13.4
70.81678	2.4
71.04989	4.0
73.02890	3.8
77.92269	1.2
79.05500	6.3
81.03088	1.0
81.03409	10.6
81.07039	10.7
83.04501	2.2
83.04971	26.9
83.08599	3.0
85.02895	60.2
85.06519	3.5
87.04447	4.7
91.03925	3.1
91.05462	8.4
93.07036	13.9
95.04958	37.0
95.08583	13.8
97.02885	20.7
97.06522	2.4
99.04438	3.9
99.08080	2.6
101.02341	1.4
101.06000	15.7
105.01851	1.8
105.07030	14.2
107.08585	16.2
109.02861	9.1
109.06493	12.7
109.10149	13.1
111.04387	1.9
111.08049	1.8
113.09633	1.2
117.06976	3.0
119.04922	3.6
119.08578	12.3
121.06490	3.4
121.10141	10.0
123.04358	1.4
123.08051	2.7
123.11680	6.6
125.05991	1.8
125.09619	1.8
127.03905	13.5
128.06201	1.4
129.06969	1.8
131.08536	8.5
133.10074	6.2
135.08052	12.5
135.11684	10.3
137.06107	1.4
137.07091	4.6
137.09607	2.8
137.13312	2.0
143.08575	3.3
145.04941	6.9
145.06400	1.4
145.10129	11.3
147.08012	2.2
147.11655	9.3
149.09599	6.4
151.07458	2.6
151.11099	1.9
155.08498	1.7
157.10120	3.5
159.08034	4.9
159.11690	5.5
161.09576	4.1
161.13235	5.9
163.11157	8.8
163.14774	1.8
165.12732	77.8
169.10133	1.7
171.11700	3.1
173.09569	4.0
173.13261	3.0
175.14809	2.5
177.09073	10.4
177.16266	1.4
179.14366	1.4
181.12135	1.6
185.13315	1.8
187.14835	7.9
189.12720	6.7
191.10646	8.1
195.09984	1.4
201.16220	1.8
205.15900	9.5
211.14777	2.1
212.09193	1.5
217.15814	1.6
219.17488	3.4
229.15833	5.6
247.16899	44.8
248.17296	1.9
255.11244	4.7
265.17950	100.0
266.18283	3.8
278.17395	1.6
283.10495	1.3
295.20129	3.2
387.48868	1.3
409.22418	2.1
410.21466	2.3
427.23328	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	427.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.01855	4.5
55.05505	24.5
57.03440	7.0
57.37291	1.3
59.04997	6.8
61.02906	4.4
62.48100	1.2
67.05479	7.1
69.03423	23.4
69.07059	13.4
70.81678	2.4
71.04989	4.0
73.02890	3.8
77.92269	1.2
79.05500	6.3
81.03088	1.0
81.03409	10.6
81.07039	10.7
83.04501	2.2
83.04971	26.9
83.08599	3.0
85.02895	60.2
85.06519	3.5
87.04447	4.7
91.03925	3.1
91.05462	8.4
93.07036	13.9
95.04958	37.0
95.08583	13.8
97.02885	20.7
97.06522	2.4
99.04438	3.9
99.08080	2.6
101.02341	1.4
101.06000	15.7
105.01851	1.8
105.07030	14.2
107.08585	16.2
109.02861	9.1
109.06493	12.7
109.10149	13.1
111.04387	1.9
111.08049	1.8
113.09633	1.2
117.06976	3.0
119.04922	3.6
119.08578	12.3
121.06490	3.4
121.10141	10.0
123.04358	1.4
123.08051	2.7
123.11680	6.6
125.05991	1.8
125.09619	1.8
127.03905	13.5
128.06201	1.4
129.06969	1.8
131.08536	8.5
133.10074	6.2
135.08052	12.5
135.11684	10.3
137.06107	1.4
137.07091	4.6
137.09607	2.8
137.13312	2.0
143.08575	3.3
145.04941	6.9
145.06400	1.4
145.10129	11.3
147.08012	2.2
147.11655	9.3
149.09599	6.4
151.07458	2.6
151.11099	1.9
155.08498	1.7
157.10120	3.5
159.08034	4.9
159.11690	5.5
161.09576	4.1
161.13235	5.9
163.11157	8.8
163.14774	1.8
165.12732	77.8
169.10133	1.7
171.11700	3.1
173.09569	4.0
173.13261	3.0
175.14809	2.5
177.09073	10.4
177.16266	1.4
179.14366	1.4
181.12135	1.6
185.13315	1.8
187.14835	7.9
189.12720	6.7
191.10646	8.1
195.09984	1.4
201.16220	1.8
205.15900	9.5
211.14777	2.1
212.09193	1.5
217.15814	1.6
219.17488	3.4
229.15833	5.6
247.16899	44.8
248.17296	1.9
255.11244	4.7
265.17950	100.0
266.18283	3.8
278.17395	1.6
283.10495	1.3
295.20129	3.2
387.48868	1.3
409.22418	2.1
410.21466	2.3
427.23328	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	427.3568
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
55.05499	3.1
60.99934	1.5
67.05498	4.8
68.82187	1.7
69.07065	6.2
71.71051	1.5
79.05452	3.3
81.07053	12.3
83.04955	4.7
83.08614	2.1
91.05467	4.3
91.74522	1.8
93.07027	6.7
95.04974	2.0
95.08586	14.7
96.03220	1.7
96.99927	1.7
97.10102	1.7
98.68800	1.8
105.07011	7.1
107.08569	15.6
109.10121	8.4
119.08560	9.5
121.10122	12.9
123.07980	1.8
123.11738	6.3
128.52837	1.7
131.08569	2.8
133.10104	4.5
135.08067	3.6
135.11670	12.6
145.10106	4.2
147.11713	2.4
149.09605	10.5
149.13245	3.1
159.11632	2.3
161.13223	4.0
175.14862	6.7
177.16351	11.7
182.12521	1.6
189.16293	2.1
191.17906	2.8
201.16342	3.7
219.17378	6.8
255.21024	2.2
273.22092	7.2
409.34167	2.3
427.35672	100.0
428.36176	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	427.3568
Annotation	HMDB12167
Peak:m/z	Relative Intensity
53.03938	1.1
55.05494	4.1
57.03444	1.1
57.07061	1.9
65.03950	1.1
67.05496	9.3
69.07053	8.2
69.68892	5.2
71.04986	1.2
79.05479	6.6
81.07041	17.9
83.04977	2.3
83.08617	3.8
85.06535	1.8
90.22875	0.8
91.05472	6.4
93.07029	20.2
95.04967	1.4
95.08591	28.1
95.09196	1.7
96.85023	0.7
97.06526	2.0
97.10152	2.4
105.07015	13.4
107.04954	0.8
107.08581	25.7
109.06509	3.1
109.10147	16.3
111.08047	1.9
111.11738	0.9
117.07003	2.4
119.06112	1.1
119.08566	20.4
121.06461	0.9
121.10127	20.5
121.10976	1.3
122.10468	0.8
123.08047	3.7
123.11657	5.1
125.09640	0.9
129.07025	1.4
131.08536	7.5
133.10103	17.4
135.08044	3.1
135.11673	19.8
135.12634	1.4
137.09637	3.1
137.13278	2.5
139.11208	0.9
142.07724	0.8
143.08554	2.6
145.10098	11.9
147.11658	19.1
149.09645	1.5
149.13234	13.7
151.11205	1.7
157.10133	3.7
159.11700	8.6
161.13260	8.9
163.14778	11.5
165.12712	1.9
171.11711	2.6
172.12283	1.0
173.13249	5.1
175.14766	7.2
177.12820	1.4
177.16373	10.3
179.14281	1.7
183.11797	1.0
185.13223	3.0
187.14798	12.7
189.16362	26.1
191.14401	1.3
191.17867	4.2
193.15790	1.1
195.13802	1.0
197.13316	1.1
199.14754	2.1
201.16331	7.6
203.14368	1.1
203.17920	4.7
205.15852	45.1
206.16254	1.2
207.17410	26.7
213.16385	2.3
215.17940	5.2
217.15800	1.0
217.19586	2.7
219.17448	6.3
221.19186	0.8
227.17947	1.3
229.19537	3.1
231.21121	0.8
241.19443	2.3
241.41158	1.0
243.21146	1.3
255.21028	4.6
257.22583	1.0
259.20627	1.0
269.22592	2.7
287.23688	1.3
295.24173	0.9
325.06793	0.9
331.26389	1.8
357.27551	0.9
368.65485	0.8
391.33664	2.3
409.34650	11.3
427.35727	100.0
428.35892	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3567
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
53.03922	0.7
55.05508	4.8
57.03395	0.7
57.07050	3.3
61.12017	0.7
65.03900	0.8
67.05503	6.3
68.91689	0.7
69.03400	2.9
69.07050	5.5
71.04992	0.7
71.08614	1.5
71.20094	1.3
76.05998	0.7
79.05484	5.2
81.03398	2.7
81.07044	17.1
81.57709	0.7
83.04970	4.6
83.08605	3.6
91.05456	6.1
93.07028	11.9
95.04971	1.4
95.08004	1.7
95.08591	26.2
96.08918	1.4
97.02869	1.3
97.06525	2.5
97.10146	2.0
103.05379	0.7
105.07006	9.8
105.26368	0.7
105.95952	0.8
106.97280	0.7
107.08577	20.6
109.06478	1.3
109.10139	13.0
111.04423	9.5
111.08055	2.4
117.07001	2.3
119.08564	48.4
120.08883	1.3
121.06466	3.6
121.10125	15.1
123.08036	4.6
123.11669	5.3
125.09628	0.8
127.03898	1.0
129.06947	0.8
131.08525	3.5
133.10112	9.1
135.08038	10.1
135.11671	13.1
137.09596	0.9
137.13220	2.3
143.08498	1.2
144.09306	0.8
145.10104	10.5
147.11662	6.3
149.13251	3.9
153.12753	1.0
157.10104	1.5
159.11684	9.5
161.13243	7.4
163.11176	2.6
163.14781	5.8
169.09944	0.9
171.11699	2.3
173.13214	4.3
175.14781	3.5
177.12801	0.8
177.16377	3.0
179.14310	2.0
185.13246	2.4
187.14760	7.5
189.16388	4.7
191.06895	0.8
191.14262	0.8
191.17892	5.0
199.14818	1.0
201.16371	5.8
203.12593	0.8
203.17850	3.9
205.15831	3.5
213.16339	0.9
215.17921	1.4
217.19466	1.3
219.17383	2.1
229.19299	0.9
231.21150	1.0
266.26883	0.7
269.22583	0.9
315.87390	0.7
386.33356	0.7
391.33566	1.4
409.34845	4.2
427.35681	100.0
428.35916	6.9
443.75464	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.5
55.01860	2.5
55.05505	16.4
57.03416	6.0
57.07062	4.3
59.76479	1.9
67.05498	29.1
69.03425	10.2
69.07053	22.2
71.04983	4.1
71.08619	2.9
79.05482	17.9
81.03398	17.2
81.07046	52.7
83.04961	8.1
83.08605	13.4
85.02892	2.5
85.06500	2.2
90.35345	2.1
91.05461	18.0
93.07034	41.6
95.04957	4.0
95.08595	89.0
96.08924	3.6
97.02904	6.0
97.06507	4.9
97.10159	7.0
99.04434	4.3
105.07011	43.2
107.08578	72.5
108.40363	1.9
109.02867	3.1
109.06518	5.4
109.10140	55.8
109.13058	1.8
110.10503	3.4
111.04451	2.3
111.08081	5.6
111.11679	3.3
117.07043	5.5
119.08559	57.7
121.06512	3.8
121.10120	56.2
122.59954	2.1
123.08074	4.7
123.11662	17.4
127.03922	2.9
131.08549	15.6
133.10100	39.9
135.08075	5.8
135.11674	43.5
136.14404	1.8
137.09627	4.8
137.13295	3.9
143.08578	4.2
145.10104	26.3
147.11664	38.4
147.12715	3.4
149.09650	2.4
149.13248	25.8
151.11189	2.7
153.12755	5.3
155.08600	1.9
157.10168	6.0
159.11684	21.1
161.09660	2.2
161.13249	32.3
163.11192	7.7
163.14795	25.5
165.12799	2.7
171.11676	2.9
173.13264	14.3
175.14809	29.4
177.12735	4.3
177.16341	18.3
181.12238	3.8
185.13234	7.0
187.14783	21.5
187.16106	1.9
189.16357	37.8
191.10782	2.6
191.14302	3.6
191.17897	12.5
193.15923	2.6
195.13768	3.6
199.14905	5.6
201.16385	18.2
203.14349	2.0
203.17926	35.1
204.18208	2.7
205.15854	54.6
207.17436	23.6
213.16469	6.8
215.17943	9.6
217.16013	2.6
217.19588	6.6
219.17493	6.5
223.16879	9.2
225.16136	2.0
227.12839	7.0
227.17943	3.9
229.19633	3.9
231.17598	3.4
231.21199	3.8
239.17924	2.1
241.19560	4.5
243.21089	3.4
245.18828	2.5
249.18651	2.9
255.21146	6.3
257.22699	6.2
259.20764	2.7
263.20242	2.3
267.20920	2.1
269.22574	3.2
271.24118	3.0
295.24182	5.3
313.25253	9.4
331.26242	5.3
351.93866	2.1
353.15921	2.1
357.28168	2.7
391.33682	6.2
409.34781	19.3
427.19809	11.8
427.35812	100.0
428.19952	3.8
428.36365	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	427.3571
Annotation	HMDB12167
Peak:m/z	Relative Intensity
54.58571	0.7
55.05497	6.0
57.07052	2.0
62.03239	0.6
67.05503	10.8
69.03397	1.0
69.07063	10.3
71.04976	0.9
71.72090	1.0
79.05480	6.5
80.44315	0.6
81.07046	20.1
83.04969	1.1
83.08623	5.5
83.93907	0.6
85.06535	1.0
89.79259	0.8
91.05466	7.1
93.07038	17.2
95.04953	1.8
95.08597	32.5
97.06511	1.2
97.10160	2.0
99.08075	2.3
105.07013	14.2
107.04951	0.8
107.08578	28.8
109.06495	3.3
109.10146	19.7
111.08086	1.5
111.11696	1.8
113.09645	1.0
114.76086	0.8
117.06985	1.8
119.08571	19.8
121.06523	0.8
121.10138	20.1
123.08048	7.4
123.11694	7.3
127.11148	1.6
129.06969	1.0
131.08559	9.2
133.10118	15.5
133.97841	0.7
135.08034	2.9
135.11673	20.3
137.09656	1.6
137.13219	2.1
139.11206	1.0
142.07796	0.7
143.08568	2.1
145.10104	10.3
147.11668	17.6
149.09584	2.0
149.13239	12.1
151.11125	2.5
151.14819	1.0
153.12657	0.7
157.10091	2.1
159.11659	8.8
161.13251	8.5
163.14804	11.4
165.12723	1.2
171.11696	1.6
172.12308	0.9
173.13257	4.8
175.14821	8.0
177.12749	1.4
177.16377	8.2
179.14366	0.8
185.13292	2.5
187.14781	11.0
189.16371	22.8
190.16751	1.2
191.14230	1.4
191.17906	7.8
199.14806	2.7
201.16367	5.5
203.17894	6.5
205.15858	37.3
207.17435	20.2
208.83141	1.0
211.14810	0.9
213.16383	2.9
215.17891	5.3
217.19519	2.9
219.17494	4.0
227.17809	1.0
229.19556	2.2
235.20535	1.0
241.19479	1.8
243.21132	1.1
255.21069	3.9
257.22656	1.2
265.54147	0.9
269.22659	2.1
291.23242	0.8
313.25180	1.6
331.26273	11.5
341.28262	1.0
357.27719	5.8
391.33624	1.3
409.34665	8.1
427.35641	100.0
428.36014	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	427.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	9.8
57.07060	3.3
61.00583	1.7
67.05490	21.7
69.07050	17.8
70.15894	5.1
70.16312	5.0
71.04994	1.8
71.90258	1.6
79.05488	20.7
79.08826	1.6
81.07038	38.2
81.07482	3.4
82.71791	1.6
83.04920	1.8
83.08617	10.0
86.09696	32.8
91.05448	16.0
93.07029	38.7
93.07586	3.3
95.04955	4.1
95.08588	79.6
97.10149	4.3
98.20776	2.8
99.08098	2.5
105.07012	44.8
107.08574	87.3
109.06511	2.4
109.10136	50.9
111.08036	2.3
117.07005	4.6
119.08560	54.0
121.10125	54.2
122.10545	2.3
123.08057	3.0
123.11684	16.0
129.07005	2.7
131.08554	14.8
133.10109	50.0
134.10455	2.3
135.08067	3.2
135.11667	33.3
137.13242	4.2
143.08542	3.2
145.10088	22.4
147.11649	34.1
149.09610	2.3
149.13243	24.2
151.11151	2.0
151.14804	1.9
157.10109	5.2
158.10815	2.0
159.11659	24.3
161.13211	25.1
163.11153	6.4
163.14781	22.1
165.16417	2.4
171.11641	4.7
173.13240	10.9
175.11064	2.2
175.14804	27.3
177.12732	6.2
177.16380	18.7
185.13200	3.7
186.14876	23.5
187.14789	21.7
189.16324	22.3
191.17882	12.3
195.13809	8.1
199.14688	4.2
201.16393	10.4
203.17926	100.0
204.18256	3.6
205.15843	35.7
205.19516	2.6
207.17479	3.2
213.16389	3.3
214.14374	9.0
215.17973	4.7
217.15866	3.6
217.19499	3.9
219.17429	5.4
223.14796	3.2
223.16876	26.6
227.17949	3.1
229.19447	3.5
231.17184	2.1
231.21097	4.9
239.17964	2.2
243.17268	2.0
243.20975	2.5
253.19698	2.4
257.22687	3.1
283.51041	2.0
295.24130	2.9
313.25217	6.3
314.19684	5.3
357.27826	2.1
381.31332	2.8
391.33542	3.7
409.34723	22.0
427.35898	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	427.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.8
55.05502	15.5
57.07068	2.9
67.05497	28.7
69.07056	22.6
71.59429	2.8
72.40811	2.8
79.05488	23.5
81.07043	45.7
83.08607	12.0
86.05671	2.8
91.05466	17.5
93.07038	47.5
95.04938	3.6
95.08006	5.9
95.08595	100.0
95.50947	2.6
97.06548	3.7
98.21471	8.3
105.07012	40.0
107.08578	74.2
109.06504	5.3
109.10141	55.6
111.08060	4.7
117.06956	4.0
119.08579	57.6
121.06432	3.6
121.10129	62.9
123.08041	9.0
123.11695	16.7
128.06238	3.1
129.06862	3.1
131.08562	16.2
133.10129	41.6
135.08020	7.1
135.11678	44.0
137.09650	3.9
137.13220	10.1
143.08499	7.7
145.10110	28.6
147.11667	38.5
149.09566	6.3
149.13232	27.7
152.13634	3.3
157.10091	5.5
159.11661	24.9
161.13235	40.7
163.11169	3.2
163.14809	29.4
165.12703	4.3
171.11682	5.8
173.13222	15.2
175.14807	37.2
177.12726	3.6
177.16399	24.8
179.14284	3.7
185.13252	6.8
187.14795	23.8
187.28549	2.8
189.16354	24.3
191.14345	3.2
191.17924	12.2
191.34866	2.7
195.13823	5.0
199.14775	5.5
201.16394	14.4
202.77528	3.2
203.17912	48.4
205.15877	33.9
207.17386	13.4
213.16313	6.6
215.17944	7.7
219.17389	4.6
221.15158	4.1
223.16841	8.7
231.17380	5.4
231.20950	6.8
243.21097	4.0
285.25546	4.4
295.24194	5.8
296.40521	3.0
313.25208	11.2
331.26282	23.2
355.15472	2.9
357.27728	4.2
391.33301	6.4
409.34726	21.1
427.35684	76.1
428.36029	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	427.3566
Annotation	HMDB12167
Peak:m/z	Relative Intensity
53.03935	0.9
55.05505	4.0
57.07058	1.9
67.05492	5.8
69.07044	4.1
69.40701	0.9
69.61871	1.6
69.62204	6.9
79.05500	4.2
81.06597	1.4
81.07044	16.4
83.08578	4.0
91.05471	4.8
93.07033	13.9
95.04929	1.2
95.08588	22.9
97.06522	1.4
97.10175	1.1
105.07006	10.7
106.00582	0.7
107.08570	22.1
109.06499	2.1
109.10147	11.6
111.08061	1.8
119.08569	17.3
121.10126	17.9
123.08027	4.9
123.11680	2.6
131.08539	6.3
133.10110	12.4
135.08025	2.1
135.11678	18.2
135.12648	1.6
137.09599	1.5
137.13298	1.1
143.08577	1.3
145.10114	7.9
147.11679	13.0
149.09578	1.2
149.13249	10.7
151.11160	2.0
157.10124	1.8
159.11684	7.2
161.13216	6.4
163.14786	10.2
165.12778	1.2
167.57419	0.7
173.13277	3.4
175.14774	4.7
177.12782	1.7
177.16357	8.9
185.13190	1.2
187.14786	12.5
189.16357	21.5
190.16672	0.9
191.14293	0.8
191.17917	4.1
199.14815	1.2
201.16371	6.0
203.17920	4.1
205.15860	33.9
206.16170	0.9
207.17398	22.2
213.16353	1.2
215.17987	5.2
217.19479	2.3
219.17430	3.9
229.19543	2.6
235.20636	1.2
241.19481	1.3
243.17458	0.8
243.20953	1.3
255.21111	3.4
269.22577	2.7
324.32562	3.4
331.26248	8.3
357.27737	4.4
391.33701	1.6
409.34561	10.1
427.35672	100.0
428.35886	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	427.3566
Annotation	HMDB12167
Peak:m/z	Relative Intensity
53.03917	0.8
55.05504	4.6
57.03425	0.7
57.07059	1.5
67.05495	6.5
69.07059	6.8
69.95863	4.5
70.79448	0.6
71.04959	0.9
77.20240	0.7
79.05480	5.6
81.03397	1.9
81.06601	1.1
81.07044	14.1
83.04977	1.6
83.08600	4.8
85.06519	0.9
91.05462	5.3
93.07029	13.8
95.04938	2.1
95.08591	23.5
97.06507	1.4
97.10139	2.0
104.80939	0.6
105.07020	12.0
107.08576	23.7
109.06555	3.1
109.07241	0.5
109.10143	13.7
111.08070	1.4
117.06992	1.8
119.08559	19.5
121.06525	0.9
121.10116	16.0
123.08065	6.4
123.11680	4.4
129.06969	0.8
131.08548	8.4
133.10103	14.5
133.39957	0.7
135.08043	2.8
135.11673	18.0
137.09579	2.0
137.13263	1.6
142.07661	0.6
143.08549	2.0
145.10101	7.9
147.11670	15.5
148.12007	0.8
149.09634	1.2
149.13229	10.0
151.11151	2.4
155.08437	1.0
157.10109	2.7
159.11673	7.0
161.13222	5.2
163.11200	1.3
163.14783	7.4
165.12755	1.6
169.10106	0.7
171.11674	2.3
173.13210	3.6
175.11174	0.9
175.14784	5.4
177.12721	1.4
177.16365	6.2
179.14287	0.9
185.13268	2.0
187.14799	10.8
189.16370	21.4
191.14264	1.3
191.17905	2.7
199.14807	1.7
201.16399	4.3
203.17950	2.9
205.15862	34.9
206.16176	1.1
207.17415	21.6
207.19316	1.3
213.16330	1.6
215.17923	4.0
217.19519	2.3
219.17413	3.5
227.17926	1.4
229.19443	2.1
241.19614	1.0
255.21016	3.4
257.22757	0.9
259.20663	0.8
269.22739	1.6
286.93054	0.8
287.23648	0.8
291.23184	1.1
298.40952	0.7
331.26276	8.6
332.26639	0.9
357.27917	3.0
391.33575	2.6
409.34579	8.5
423.79901	0.7
427.35675	100.0
428.36206	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	427.3565
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
53.03899	1.9
55.05506	7.7
57.03423	2.5
57.07056	4.8
58.28817	1.5
60.78487	1.5
63.72350	1.7
67.05502	14.0
69.03415	3.0
69.07059	13.2
70.50877	1.7
71.04992	1.5
71.34994	3.1
79.05478	12.9
81.03397	6.4
81.07041	38.3
81.07484	3.3
83.04958	2.8
83.08611	8.9
90.53378	1.6
91.05473	8.4
93.07028	28.5
94.91799	1.8
95.04939	2.8
95.08592	59.3
95.09196	3.2
97.06502	3.7
97.10155	4.1
105.07017	23.4
107.08575	42.1
109.06511	4.4
109.10149	32.5
111.08067	3.4
117.06993	3.3
119.08563	53.4
121.06441	2.1
121.10121	39.3
123.08089	4.1
123.11681	17.6
131.08559	12.8
133.10120	23.6
135.08031	4.2
135.11670	35.0
135.12650	2.9
137.09627	3.6
137.13242	8.3
143.08559	4.4
145.10117	17.7
147.11676	20.7
148.88388	1.8
149.09683	2.0
149.13242	18.4
151.11263	2.4
151.14775	1.9
153.12733	3.5
157.10069	3.4
159.11684	12.2
161.13232	13.4
163.11157	3.6
163.14769	18.2
165.12833	2.0
171.11719	5.1
173.13254	8.9
175.14832	13.8
177.16362	15.3
179.14308	3.2
185.13185	3.9
187.14810	22.0
187.16360	2.2
189.16348	22.0
190.16681	1.6
191.17900	30.3
199.14799	3.9
201.16391	9.6
203.18118	8.4
205.15846	40.3
205.19287	2.1
207.17418	15.5
209.13258	1.8
211.14735	2.1
213.16379	2.5
215.17950	6.8
217.19449	4.2
219.17517	5.6
229.19537	5.2
231.21077	5.5
241.19504	2.2
243.21153	6.3
245.22588	14.9
255.21051	3.7
257.22595	4.5
259.24213	6.6
261.22083	1.9
269.22830	1.9
284.84702	1.7
285.25629	2.2
331.26294	2.4
378.51163	1.5
381.35101	30.8
391.33572	7.1
399.36166	11.0
409.30066	2.4
409.34665	24.5
427.19540	4.5
427.24789	3.5
427.35690	100.0
428.36005	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	427.3567
Annotation	HMDB12167
Peak:m/z	Relative Intensity
51.72498	3.7
52.52265	4.4
53.47872	4.4
53.88809	3.8
55.05502	13.4
57.07076	7.8
64.92233	3.9
65.79577	3.9
67.05501	33.0
69.07055	32.7
69.59593	35.8
79.05476	17.7
79.88448	4.7
81.07040	62.1
83.08604	16.8
91.05462	16.2
93.07032	50.0
95.08592	100.0
105.07028	35.4
107.08569	76.1
109.06531	6.4
109.10137	77.7
109.62635	4.7
111.08160	4.7
119.08559	49.3
121.10135	74.7
123.11694	42.4
125.09586	5.5
131.08551	9.8
133.10115	50.3
135.11662	52.8
137.13232	11.4
145.10138	21.2
147.11690	31.1
149.13263	35.3
151.11182	5.2
157.10229	5.6
159.11714	18.1
161.13226	23.8
163.14836	21.9
165.16277	6.5
169.10135	5.4
173.13264	15.7
175.14828	22.2
177.16365	16.2
179.14294	8.2
187.14810	13.0
189.16316	26.3
191.17905	23.4
201.16368	5.4
203.17964	24.0
205.19511	7.1
213.16309	6.4
215.17805	6.9
217.15700	4.6
217.19432	21.6
227.17889	5.1
231.17374	6.5
243.21083	10.9
245.18968	6.4
245.22685	10.2
255.20992	5.5
257.22620	16.3
271.24097	8.8
391.33389	15.3
409.34393	26.6
427.35391	85.0
428.35730	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	427.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03571	1.3
50.41495	1.2
54.56506	1.6
55.05496	9.7
56.35382	1.1
57.07058	5.5
59.31953	1.2
67.05485	8.1
69.07056	29.8
71.08624	3.1
79.05500	2.9
80.51389	1.3
81.07048	10.7
83.08602	12.0
83.81155	1.3
85.98322	1.2
91.05463	3.4
93.07030	3.6
95.08595	10.6
97.10148	7.7
105.07005	3.7
107.08598	6.6
107.69474	1.4
108.04424	1.4
109.10171	7.9
109.70153	1.3
111.11714	3.6
111.75428	1.3
119.08570	3.9
121.10120	6.2
122.07303	1.7
123.11697	2.1
128.14873	1.4
131.08530	2.9
133.10120	3.3
134.55215	1.1
135.08015	3.5
135.11699	2.8
137.09575	10.8
137.13179	1.5
139.70337	1.2
145.10103	2.4
149.09593	9.4
150.98062	1.2
151.07556	2.0
151.14754	1.6
159.11626	2.0
161.13289	1.9
162.06705	1.5
163.07503	1.6
163.11192	7.0
163.14818	1.6
165.09090	100.0
173.09648	1.4
173.13223	1.7
175.11240	2.5
177.09058	7.7
179.10632	2.8
179.14388	1.3
187.11145	2.4
189.09135	2.9
189.12732	2.4
190.09975	1.7
191.10599	7.3
202.38907	1.3
203.10634	7.8
203.14377	1.5
205.12207	10.3
217.11974	1.8
219.13803	4.3
231.13805	1.5
233.15439	1.4
289.21707	1.3
331.26404	1.8
347.03387	1.4
399.32425	1.8
409.34534	2.3
427.35483	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.05503	9.8
57.02543	2.2
57.07050	2.9
59.31524	1.9
67.05502	12.4
69.03391	2.1
69.07060	16.7
71.21931	4.0
71.49160	1.8
72.22523	2.2
79.05487	13.1
81.07047	31.6
82.51492	1.8
83.04961	2.6
83.08611	7.8
91.05466	14.0
93.07045	29.1
95.04980	3.6
95.08595	61.8
96.08937	3.5
97.10146	2.9
105.07017	29.5
107.08582	49.4
109.06472	2.9
109.10148	33.9
111.08085	3.0
117.07042	3.3
119.08572	37.1
120.08925	2.8
121.10127	40.6
123.08069	3.8
123.11683	10.7
131.08556	8.9
133.10114	32.3
134.10475	2.1
135.08018	2.4
135.11678	27.7
143.08507	3.0
145.10118	19.1
145.65315	2.2
147.11674	20.8
149.09673	1.9
149.13254	19.1
159.11653	13.0
161.13252	19.9
163.11142	2.3
163.14796	21.7
173.13249	4.6
175.14825	18.3
177.12755	3.3
177.16345	21.8
181.15558	1.9
187.14799	11.9
189.16374	16.5
191.17924	13.8
195.13785	4.7
201.16379	11.6
202.16742	3.3
203.17931	100.0
204.18230	4.6
205.15863	30.1
205.19681	3.3
213.16312	2.9
215.18030	3.1
217.19458	3.2
219.17464	5.4
223.16893	12.6
230.91113	2.2
231.17447	3.0
231.21216	3.1
236.66731	2.1
249.18520	2.9
279.08890	2.2
391.33646	6.0
409.34558	15.7
427.35971	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	427.3569
Annotation	HMDB12167
Peak:m/z	Relative Intensity
55.05494	10.8
57.07050	7.0
67.05492	16.3
69.07067	18.5
71.70139	6.2
79.05476	16.7
81.07050	52.8
83.08601	16.2
91.05461	12.3
93.07015	37.5
95.04932	4.7
95.08598	78.4
105.07001	27.8
107.08572	63.9
109.10148	67.2
115.97086	4.1
119.08565	44.7
121.10131	53.0
123.08059	5.0
123.11682	27.6
131.08557	7.7
133.10100	29.8
135.11662	28.7
137.13226	6.2
145.10138	14.6
147.11682	24.5
149.09598	6.8
149.13206	23.5
157.10147	5.3
159.11674	17.7
161.13257	17.7
163.14806	26.6
168.49123	3.4
171.11726	4.6
173.13231	9.6
175.14775	18.8
177.12912	5.8
177.16342	51.6
179.17950	12.2
187.14778	14.0
189.16373	22.9
191.17914	19.1
199.14909	4.3
201.16362	12.6
201.42245	4.0
203.17867	18.7
205.15918	8.1
213.16473	8.5
217.19540	12.3
219.17532	5.1
229.19511	5.1
231.17490	11.4
231.21109	11.0
233.18947	7.8
241.19290	4.3
243.21002	6.3
245.22702	7.4
257.22552	9.3
263.20041	5.4
271.24191	5.9
277.21539	5.6
391.33380	13.8
409.34680	22.9
427.35693	100.0
428.36215	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81157	1.3
53.03918	1.9
56.96553	1.6
57.03426	3.8
58.99857	1.7
60.09998	1.4
61.02897	5.2
69.03413	8.5
70.68043	1.5
71.04958	1.6
71.69358	2.5
73.02903	8.8
81.03381	3.4
85.02891	18.3
86.06061	4.1
87.04434	2.4
91.03922	3.9
93.07027	2.7
97.02873	12.7
98.97554	9.1
99.04391	2.4
101.00848	6.7
103.05434	2.5
109.02863	1.8
113.00846	2.4
115.88961	1.5
116.98593	4.8
119.01902	18.7
121.01641	2.7
121.06477	16.0
127.03863	5.0
128.98546	2.5
131.01901	11.0
131.04907	100.0
132.05182	2.7
133.03429	2.8
135.04370	1.8
136.06200	1.7
137.02904	2.6
143.00200	2.0
143.01852	14.0
144.05144	1.6
145.01649	1.8
145.03426	8.6
145.04929	3.0
149.05959	55.2
155.01889	5.3
157.03450	3.1
158.99644	3.5
159.03212	2.1
161.02933	37.4
163.02612	3.6
169.03450	1.8
170.99734	1.9
173.01306	2.0
173.02913	8.5
176.06017	3.1
177.00694	3.9
177.04137	5.2
177.05656	1.7
179.05479	2.2
181.03424	3.2
183.04997	6.5
184.04596	2.0
185.02907	3.8
185.06566	2.6
186.04646	4.4
189.03972	2.5
191.03833	7.3
197.02756	2.0
197.06566	4.0
200.04404	3.8
203.03963	19.0
204.04231	1.9
205.03499	6.3
207.04941	17.6
209.06633	2.1
215.03885	3.2
216.50026	1.6
219.01764	5.1
221.04883	7.2
221.06819	2.7
223.04596	7.4
225.06070	18.5
231.05038	12.7
232.05154	1.8
233.06500	4.5
237.02782	2.0
243.05063	1.7
245.05000	5.4
245.11325	2.7
247.04855	4.4
248.05354	1.9
249.06047	57.7
250.06128	5.6
251.07849	1.7
257.06589	1.9
258.06628	8.0
261.06061	9.0
263.05936	7.7
264.57629	2.0
266.59332	1.8
267.07123	46.3
268.07385	2.7
272.06418	8.1
279.06985	3.5
285.05948	4.4
290.08759	3.6
307.06497	1.9
309.04681	1.9
309.08078	4.2
315.06979	4.4
333.08133	46.4
334.08313	2.8
348.09787	7.8
351.09006	20.3
353.07291	2.6
353.11365	2.7
369.10413	9.8
374.10309	1.6
380.75397	1.7
387.11282	15.5
429.12283	16.6
429.20520	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.7
55.01853	5.2
55.05506	12.5
57.03432	17.0
61.02919	3.9
67.05172	2.7
67.05495	21.5
68.21587	1.3
69.03416	34.0
69.07060	6.8
69.57091	8.3
69.57532	6.5
71.04971	8.8
73.02888	4.2
73.98980	1.6
79.05478	16.4
81.03402	84.0
81.07039	23.3
81.59438	1.5
83.01383	2.2
83.04971	24.2
83.08607	19.9
85.02892	27.6
85.06529	3.4
85.77447	1.6
87.04419	2.5
91.05421	16.3
93.07023	18.5
95.04948	20.8
95.08575	12.0
97.02877	55.3
97.06519	6.8
97.10152	5.6
99.04455	9.3
99.08074	1.6
105.07003	19.8
107.04935	3.9
107.08575	14.0
109.02856	16.6
109.06509	4.7
109.10159	5.9
111.04420	12.0
111.08029	10.9
111.08724	1.4
112.82032	1.7
113.06013	2.3
117.06987	3.0
119.08571	17.1
121.06513	3.9
121.10123	8.5
123.08051	4.7
123.11695	2.9
125.05942	2.8
125.09622	3.0
127.03892	15.9
128.06139	1.4
129.05466	7.9
129.07004	6.4
130.94514	1.7
131.08507	8.6
133.06476	3.7
133.10100	9.1
135.11688	4.8
137.05865	2.0
139.03853	3.5
145.10118	5.1
147.08015	3.8
147.11670	14.1
149.02281	3.1
149.09612	7.1
149.13228	2.6
153.12743	2.1
155.08519	1.6
157.10074	12.1
159.11710	2.7
161.13240	2.0
163.11180	5.6
165.09048	2.0
165.12775	3.7
171.11629	3.9
173.06018	1.8
173.09621	2.6
175.11188	16.2
181.12338	4.2
191.10675	7.1
193.12209	60.2
209.11717	2.1
209.16211	1.8
211.13251	100.0
212.13605	1.7
219.64320	1.7
227.12793	6.3
229.14262	3.9
243.11360	2.4
249.14871	5.1
269.12350	10.7
270.12643	1.9
283.15393	1.9
285.12335	3.2
285.16959	6.6
337.16739	2.0
355.17590	4.5
359.03043	1.9
411.28986	3.0
429.21176	62.0
429.30182	5.7
430.21628	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	429.2112
Annotation	Carolenalin 4-O-beta-D-glucoside
Peak:m/z	Relative Intensity
50.75675	1.5
53.03943	8.4
55.01860	6.1
55.05504	17.2
57.03435	17.3
61.02906	1.8
63.50248	1.7
67.05499	20.9
69.03420	36.7
69.07050	5.8
69.38303	1.4
70.06592	2.5
70.86124	1.5
71.01346	2.6
71.04985	10.6
71.70293	2.1
73.02903	2.8
73.04739	1.7
79.05481	23.8
80.53959	1.6
81.03404	100.0
81.07047	27.0
82.03715	1.8
83.01310	2.0
83.04977	19.0
83.08595	22.5
85.02892	28.1
85.06538	3.4
87.04429	2.0
91.05421	23.1
93.07030	15.6
95.04958	25.0
95.08595	8.6
97.02243	2.8
97.02875	53.9
97.06524	4.9
97.10152	4.3
99.04424	7.6
103.03941	1.9
105.07011	20.3
107.04932	9.0
107.08591	9.1
109.02869	18.3
109.06502	6.2
109.10126	3.6
111.04430	13.1
111.08055	12.4
113.05995	2.7
115.05460	2.8
117.06986	3.9
119.04944	2.6
119.08566	18.8
121.02915	2.7
121.06480	5.9
121.10108	10.9
123.04424	2.1
123.08052	3.5
123.11681	3.3
125.09643	5.2
127.03895	20.2
129.05466	4.8
129.06955	9.8
131.04886	1.9
131.08519	9.7
133.06476	3.5
133.10150	9.3
133.93987	1.5
135.04474	2.1
135.08026	3.1
137.05998	1.9
137.09627	4.1
142.07759	2.3
145.04935	2.2
145.06560	1.9
145.10129	5.6
147.04402	4.0
147.11679	17.9
149.09616	6.0
149.56390	1.5
151.03934	2.0
157.10092	12.8
163.11163	3.6
164.07129	2.0
165.12788	6.9
167.05539	2.3
173.05984	1.8
175.11156	13.6
181.12180	3.2
183.06503	2.9
189.11214	2.7
189.12790	3.3
191.10703	4.3
193.12210	59.7
194.12468	1.8
211.13251	92.2
212.13571	1.7
227.12761	2.8
229.14389	4.4
231.13797	1.9
235.13182	3.3
249.14841	11.0
267.15906	7.1
285.16956	15.1
313.16382	1.8
319.15356	2.3
337.16428	3.3
352.33502	2.0
355.17618	4.5
359.03021	2.9
411.20044	6.8
429.16611	2.5
429.21182	68.4
430.21533	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	429.211
Annotation	Mukaadial 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03940	9.0
55.01863	11.4
55.05489	18.8
57.03428	41.1
61.02909	19.7
65.13518	4.3
67.05495	30.5
67.24277	4.4
69.03419	96.5
69.07053	16.5
70.06561	7.4
70.49904	17.9
70.79851	4.2
71.04960	11.6
73.02897	11.1
79.05479	36.3
80.09061	4.6
81.03401	79.7
81.07039	50.6
83.04951	18.6
83.08598	15.7
85.02887	100.0
86.09699	7.3
87.04450	33.9
91.03926	5.3
91.05421	36.4
93.07030	52.2
95.04954	54.6
95.08607	22.1
97.02880	78.3
97.06512	8.4
99.04432	23.4
103.03896	9.6
105.07000	47.0
107.04919	14.5
107.08572	45.3
109.02859	18.0
109.06541	22.5
109.10123	15.6
111.04442	14.4
111.08083	6.1
113.05992	7.9
115.03902	30.8
117.06987	15.5
119.08552	32.4
121.06490	8.7
121.10133	45.2
123.04418	21.1
123.08069	8.6
123.11684	16.2
124.97035	5.1
125.06028	5.7
127.03882	25.0
128.06216	5.7
129.06987	14.6
131.08562	19.5
133.04942	19.4
133.06429	6.3
133.10121	33.8
135.04384	5.5
135.08046	8.5
135.11658	39.8
136.07494	5.8
137.05948	5.8
137.09593	6.1
139.07565	5.8
143.08557	13.4
145.04919	17.5
145.06483	8.2
145.10077	23.0
147.08084	7.6
147.11725	23.1
149.06013	8.7
149.09618	7.3
151.07449	6.6
151.11096	6.3
153.12711	7.5
157.10112	14.2
159.08040	5.6
159.11650	30.3
161.09625	11.4
163.11107	12.9
169.10110	7.9
171.11700	8.8
173.08121	8.7
173.09557	9.0
173.13107	4.6
175.11163	14.8
177.12770	20.7
185.13229	8.3
187.11101	7.4
189.12766	7.1
191.10802	4.4
193.12260	16.9
195.11703	7.2
201.12685	10.7
203.14287	6.5
211.13249	15.4
213.12679	11.1
219.13811	9.3
231.13780	14.3
235.13354	11.0
243.13782	6.2
247.13533	4.9
249.14859	17.6
267.15955	36.1
273.14832	5.7
285.17117	5.7
297.16946	6.4
309.16879	11.7
315.10837	4.9
375.17981	6.3
393.18802	8.6
411.19870	10.5
429.21329	49.2
429.27200	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	429.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98107	0.3
53.03948	0.6
55.05508	2.2
57.03427	6.2
57.07077	1.8
62.65549	0.3
63.79731	0.3
64.27496	0.3
67.05496	10.8
69.07074	2.6
70.96389	1.1
71.08622	1.0
79.05023	0.6
79.05481	11.7
81.07046	11.2
83.08597	1.5
85.06522	1.0
85.10179	0.5
89.31443	0.3
90.87225	0.3
91.05464	5.9
93.07028	13.2
94.98903	0.5
95.04959	0.8
95.08598	8.3
97.06527	1.0
97.10157	0.7
98.98450	0.8
99.08063	1.0
105.07011	4.3
107.08588	7.4
109.06502	0.5
109.10147	3.4
111.08096	0.5
112.99998	100.0
117.06996	2.6
119.08550	2.8
120.36848	0.4
121.10120	8.0
122.10448	0.4
123.08050	0.4
123.11651	2.0
131.01038	0.8
131.08548	5.3
131.12288	0.4
132.08939	0.4
133.10133	2.4
135.07999	1.1
135.11664	5.4
137.09604	0.8
137.13219	1.6
139.01520	1.1
144.73225	0.3
145.10109	4.0
147.11676	2.7
149.09608	2.4
149.13240	4.4
151.01607	0.5
151.14812	0.6
153.12735	0.6
154.02666	0.5
155.00998	1.0
159.11671	3.6
161.13292	1.9
163.11203	0.6
163.14769	3.2
165.12650	0.5
169.02592	83.2
170.02963	0.7
170.78296	0.4
173.13254	3.6
174.13562	0.4
175.14767	0.7
177.12703	0.6
177.16359	1.9
179.14189	0.5
181.57478	0.4
187.14757	2.1
201.16350	0.8
233.18916	0.4
233.22610	2.5
243.21046	10.7
244.21498	0.7
257.22409	0.5
261.22122	28.9
262.22455	1.5
275.23563	0.6
279.22446	0.4
429.24158	0.8
429.29608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2993
Annotation	Comnostin A
Peak:m/z	Relative Intensity
53.03933	2.7
55.05500	9.7
55.73763	2.2
55.90536	2.4
57.07059	3.5
67.05495	14.1
69.07048	7.1
71.39024	2.1
79.05480	15.0
81.03419	2.4
81.07050	27.7
85.02887	5.7
85.06529	5.7
91.05459	28.3
93.07029	47.4
95.04922	5.3
95.08592	27.4
97.06522	6.7
98.21530	6.2
99.08089	27.0
105.07021	55.8
107.08578	43.7
109.02805	2.6
109.06514	23.5
109.10155	14.8
115.05386	2.9
117.07023	7.2
119.08567	81.1
119.09411	4.3
120.08846	4.3
121.06466	4.0
121.10132	28.7
123.08057	11.5
123.11673	8.1
127.03809	2.2
129.07031	3.4
131.08553	60.8
132.08846	2.4
133.10104	60.4
135.08044	2.8
135.11697	16.0
137.05890	3.0
143.08527	6.5
145.10110	32.5
146.10503	3.1
147.08032	3.3
147.11665	96.7
147.12845	4.7
149.09596	5.3
149.13234	76.0
150.13554	2.6
157.10081	5.1
159.11700	26.9
161.09592	3.5
161.13235	6.8
163.11174	35.3
165.12723	15.1
169.10123	3.6
171.11658	4.6
173.13254	35.0
174.13600	3.0
175.11197	5.0
175.14777	6.9
177.12675	11.3
182.10667	2.3
183.11627	5.4
185.13216	11.6
187.14821	18.2
189.12737	2.6
191.10512	2.4
191.14259	5.7
195.11630	2.4
197.13223	3.9
199.14769	4.8
201.16371	72.0
202.16733	4.0
203.14342	9.0
203.17944	3.7
211.14769	13.7
213.16260	3.0
219.17485	16.0
221.88918	2.5
225.16284	3.5
229.15903	5.7
230.23886	2.5
230.26314	4.0
241.15953	3.3
277.19586	2.7
293.22485	3.0
311.23682	18.1
347.27267	7.6
365.28314	44.0
366.28622	3.4
383.29419	100.0
384.29520	6.0
411.28839	25.1
429.29886	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	429.3721
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05502	3.7
57.06805	1.0
57.07068	17.5
62.58696	0.4
63.17987	0.6
67.05490	5.6
69.07062	4.5
71.04931	0.5
71.08244	1.0
71.08618	13.0
71.40684	1.1
79.05463	2.1
81.06599	0.7
81.07041	7.1
83.04974	0.8
83.08598	2.9
85.10173	5.7
86.61674	0.4
91.05466	2.0
93.07048	2.7
95.08593	7.6
97.10142	1.7
105.07035	2.9
107.04952	0.5
107.08582	6.6
109.06470	1.2
109.10135	6.9
111.04392	0.9
111.11678	1.3
119.08576	4.3
121.06496	1.5
121.10138	4.3
122.07259	1.4
123.08051	1.3
123.11672	1.7
125.05925	0.6
125.13244	0.8
129.06995	0.6
131.08540	3.0
133.10110	1.9
135.08026	6.0
135.10728	0.5
135.11617	2.4
136.08861	0.8
137.05972	0.8
137.09592	11.6
137.13196	0.7
138.09853	0.5
139.07547	2.6
139.35347	0.5
145.10109	3.0
147.11598	0.8
149.09592	16.5
149.13223	0.9
151.07520	1.8
151.54112	0.5
157.10120	0.9
158.10854	1.0
159.08014	1.1
159.11652	3.3
160.08774	1.0
161.09557	1.2
162.06693	1.4
163.11159	20.3
164.08257	0.7
165.09094	100.0
166.09441	2.4
173.09621	2.6
173.10927	0.5
173.13251	2.5
174.10350	0.6
175.07550	0.7
175.11160	5.7
176.08276	2.1
177.09087	12.5
177.12685	2.3
179.10677	1.7
185.09813	0.5
186.10391	1.2
187.11127	3.2
187.14792	0.9
189.09070	1.4
189.12764	2.4
190.09842	1.6
191.10634	10.9
191.14297	0.8
192.11031	0.6
193.12135	0.8
200.11891	0.8
201.12697	3.3
203.10674	2.3
203.14215	1.2
204.11481	0.8
205.12198	9.4
215.14287	2.1
219.13776	6.0
231.17416	0.5
233.15329	2.5
247.16937	2.0
257.18869	0.8
261.18433	1.2
275.20004	1.3
289.21606	1.4
303.23227	1.5
317.24838	1.0
331.26376	0.9
345.27832	0.8
401.34015	2.6
411.36066	1.6
429.37207	34.7
430.37781	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3723
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
Peak:m/z	Relative Intensity
52.89921	0.4
53.03933	0.7
55.05501	4.8
56.96979	0.5
57.07072	7.7
62.05006	0.4
67.05496	7.5
69.03419	1.0
69.07056	12.5
69.37916	1.3
69.38317	4.6
69.88393	0.5
71.08627	6.5
76.31018	0.5
79.05476	5.2
81.07043	25.6
82.07391	0.7
83.08607	5.1
85.10175	4.2
91.04902	0.5
91.05442	2.7
93.07027	8.6
95.04937	0.9
95.08593	24.0
97.06516	1.9
97.10157	4.2
98.20718	1.0
105.07027	6.4
107.04930	2.8
107.08581	7.1
109.06503	0.9
109.10136	8.3
111.11695	2.1
111.17153	0.5
117.06993	2.0
117.90503	0.5
119.08563	5.2
121.06484	2.3
121.10119	5.1
123.08056	1.5
123.11692	2.9
125.05982	1.2
125.13224	0.9
129.06999	1.4
131.08542	3.9
133.06477	1.1
133.10123	5.0
133.11044	0.8
135.08051	1.9
135.11688	4.7
137.09692	0.6
137.13231	1.5
142.07689	0.8
143.08519	1.3
145.10117	5.0
147.11655	4.8
149.09595	2.6
149.13251	2.0
151.14804	0.6
155.08560	1.4
157.10106	6.6
159.08023	0.6
159.11662	6.5
160.08806	0.8
161.09604	2.2
161.13235	1.4
163.11166	2.8
163.14723	1.5
164.08293	0.6
165.09109	4.0
169.10109	1.2
171.11700	3.1
173.09621	1.5
173.13257	2.9
174.13606	0.5
175.11165	9.0
175.14621	0.6
177.12769	1.0
177.16373	0.6
183.11646	1.9
185.13229	1.9
187.11209	0.7
187.14754	1.6
189.12766	1.6
189.16391	0.7
197.13231	1.9
199.14732	1.5
201.12697	0.9
201.16376	1.5
203.14348	0.9
211.14763	1.8
213.16380	1.2
215.14311	1.6
215.17897	0.7
217.15840	0.6
225.16347	0.8
229.15883	1.6
239.17903	0.8
243.17567	0.7
253.19487	2.0
257.19147	0.6
271.20441	1.3
275.27524	0.7
285.22021	0.5
303.26996	0.6
331.30191	0.5
369.31470	1.2
393.35037	4.2
403.02606	0.6
411.36154	8.2
412.36636	0.9
429.37222	100.0
430.37561	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	430.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33281	0.4
55.01855	1.3
56.96542	1.2
57.03413	1.7
61.02918	2.5
69.03424	2.6
70.06576	0.7
71.01347	0.4
71.04959	0.6
71.70542	0.7
73.02900	2.3
73.04749	0.6
79.05473	0.6
81.03403	2.2
84.04491	0.5
84.08124	0.6
85.02889	5.0
87.04462	0.6
91.03935	0.9
91.05830	2.0
95.04971	0.6
97.02886	3.7
97.06515	0.4
98.11577	0.4
98.97552	1.6
99.04420	0.8
101.02377	1.0
103.05441	0.4
109.02828	0.4
111.04415	0.9
111.45782	0.5
115.03884	1.1
116.98565	1.6
119.01904	0.6
119.03544	1.4
119.04892	0.7
119.20525	0.4
121.06480	1.1
123.04378	1.1
127.03904	1.3
128.98642	0.5
130.08615	0.7
131.04886	1.0
133.04947	1.2
134.99690	0.5
136.06161	100.0
137.04643	0.7
137.05663	0.5
137.06537	1.4
143.01947	0.8
145.04932	0.5
149.05934	1.1
152.05673	0.6
158.99608	1.1
161.02956	1.4
161.04292	0.4
162.03004	1.1
167.05591	0.8
167.07027	1.1
168.05385	0.5
177.00703	0.9
186.04408	0.9
188.07574	0.4
189.03940	1.0
203.04024	0.8
209.59628	0.4
219.01782	0.8
227.06761	0.7
237.02914	1.4
248.07349	0.6
250.06351	0.5
268.07553	1.0
268.10330	14.3
298.11346	1.5
359.02429	0.5
360.02841	1.0
377.07092	0.5
383.04257	0.4
427.01172	0.4
429.58563	0.5
430.09857	0.5
430.15799	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	430.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61439	0.2
55.01854	0.5
56.96564	0.3
57.03428	1.2
61.02913	0.5
69.03420	1.6
69.78936	1.6
70.06576	0.7
71.01344	0.4
71.04955	0.2
72.08165	0.3
73.02919	0.6
73.04763	0.4
78.10033	0.2
79.05469	0.3
80.31055	0.2
81.03414	0.5
84.04482	0.2
85.02876	2.7
85.07610	0.3
86.09696	0.4
87.04458	0.5
89.06010	0.5
91.05766	1.0
93.06981	0.3
94.04037	0.5
95.04884	0.3
97.02880	1.5
98.20673	0.3
98.97609	0.3
99.04440	0.5
107.04935	0.4
109.02866	0.4
115.03910	0.5
116.98605	0.3
119.01916	0.4
119.03548	1.0
119.04865	0.2
121.06459	0.6
123.01832	0.3
123.04546	0.3
127.03905	0.5
131.04900	0.4
133.04964	1.1
136.06166	100.0
137.04558	1.0
137.06522	0.9
143.01901	0.5
145.04901	0.5
149.05937	1.1
158.99464	0.2
161.02943	1.2
167.07019	0.9
203.03943	0.5
204.04240	0.2
219.01881	0.4
268.10342	3.3
360.02838	0.5
430.15811	3.1
430.21179	0.2
439.28635	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
54.30840	0.4
55.01862	3.9
55.05484	0.6
55.99633	0.6
57.03415	2.0
60.04490	0.5
61.02917	2.5
64.97785	0.5
67.01827	0.8
67.05479	1.6
67.17695	0.4
68.99767	1.6
69.03414	10.9
69.07031	0.7
69.74214	3.5
70.06557	0.9
71.04978	1.7
72.45209	0.5
73.02902	2.8
79.05459	1.2
81.02951	0.7
81.03406	13.2
81.07035	1.4
83.01320	0.5
83.04990	0.6
84.04464	0.7
85.02890	30.9
87.00817	11.9
87.04442	0.6
91.03910	0.9
91.05445	1.0
92.05740	0.6
93.07021	1.2
95.04930	0.5
95.08566	1.1
97.02880	11.7
97.06499	0.6
98.06029	0.6
99.04441	6.6
103.05428	0.9
104.65495	0.5
105.01126	0.7
105.01844	11.4
105.03365	0.6
105.06995	1.6
107.04918	0.5
107.08514	0.6
108.04464	2.5
109.02163	0.8
109.02857	11.7
109.06413	0.5
109.10158	0.5
110.93879	0.5
115.03862	0.6
117.01829	1.5
119.08538	0.9
126.05502	1.6
127.03892	24.0
129.01787	1.8
130.30598	0.5
131.08540	1.1
136.07558	1.5
137.05910	1.6
138.11752	0.5
141.41983	0.5
145.04933	13.4
145.10109	0.5
147.02835	1.5
147.04364	0.9
151.07509	0.6
153.01794	3.2
159.02872	9.4
164.07027	0.9
169.07613	0.6
171.02870	0.9
189.04008	0.6
189.09052	1.6
200.10397	0.4
209.06006	0.7
213.03873	1.1
221.06985	0.5
225.06538	1.0
230.06575	0.9
231.05000	4.4
231.10051	0.6
248.07591	0.9
255.06474	100.0
273.11267	0.8
285.08755	0.7
313.08011	0.9
360.83954	0.5
370.13644	0.8
384.15762	0.6
409.03976	0.5
412.15076	0.9
430.15845	2.1
431.09174	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.01862	3.3
55.05495	6.5
55.72174	2.0
56.05019	7.7
57.03420	4.8
57.07060	2.5
58.06585	5.7
61.02909	6.9
65.03924	2.1
67.05499	11.6
67.05786	2.1
69.03417	20.8
69.07047	5.5
70.06577	5.0
70.80745	2.6
71.04959	5.6
73.02902	3.6
74.06043	2.1
79.05487	11.2
81.03379	7.2
81.07034	20.1
82.06589	3.0
83.04951	8.7
83.08604	6.6
83.34766	2.2
83.53368	1.9
84.08129	7.5
85.02895	30.2
85.06535	5.8
86.03210	2.2
86.06021	3.7
86.09706	4.5
87.04465	6.5
91.05426	10.8
93.07038	15.5
94.06566	5.1
95.04951	9.6
95.08592	8.9
96.08115	15.5
97.02856	13.7
97.06496	5.7
98.06033	3.3
98.09690	4.3
99.04411	9.7
105.07005	18.3
107.08577	25.4
108.08086	7.7
109.02848	4.0
109.06506	17.8
109.08945	2.0
109.10136	16.7
110.06033	5.6
113.05959	2.9
114.05502	3.0
117.07011	3.1
119.08561	13.2
121.10128	27.7
122.09685	10.1
123.08032	16.3
123.11670	7.6
124.07583	2.8
125.09619	5.6
126.05505	3.8
127.03903	9.1
131.08545	14.0
133.10110	17.0
134.09569	4.6
135.08017	8.6
135.11699	3.6
136.07547	5.7
136.11174	2.3
137.05824	2.3
137.09575	4.7
142.07777	2.4
143.08511	2.3
145.10130	7.6
147.08026	2.3
147.11658	10.7
148.11182	8.3
149.05977	3.1
149.09569	12.5
149.13216	5.1
150.09058	2.5
150.12775	2.3
151.07484	3.8
151.11136	7.1
152.14334	5.4
153.09094	4.3
158.10881	2.7
159.11697	5.0
162.12709	2.8
163.11174	7.0
163.14864	2.8
164.14159	2.5
165.12737	9.3
167.07013	2.8
167.14296	4.5
173.13269	12.2
174.12769	5.1
175.11169	4.3
180.13829	3.7
181.12236	5.0
182.11797	2.7
186.07516	3.3
188.14409	3.6
189.12698	10.3
190.15845	4.2
191.14363	9.6
192.13821	7.3
193.12231	2.7
194.11790	3.8
204.08620	14.1
206.15335	6.2
207.13857	7.7
208.16963	7.4
209.15327	19.5
222.09702	2.9
224.16333	4.2
232.16957	23.4
233.15332	2.9
250.17999	100.0
251.18521	3.4
268.19022	31.5
412.23431	10.3
430.24350	62.8
431.24255	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	431.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79335	0.5
53.03933	0.8
55.01854	0.9
55.05481	1.0
56.96557	3.3
61.02911	1.0
65.03951	0.6
67.05484	2.1
69.03423	3.8
70.06580	1.6
70.42999	1.1
70.43394	1.1
71.01324	1.0
71.04979	1.0
72.08135	1.1
73.02892	1.2
77.89591	0.5
79.05469	2.2
79.25310	0.5
81.03397	3.1
81.07030	2.0
82.99847	1.2
83.04945	2.1
84.04498	0.8
84.08121	1.1
84.96019	1.0
85.02897	4.7
86.03279	0.5
87.04480	1.3
88.99665	0.4
91.05469	2.0
95.04953	3.0
95.08585	2.6
97.02855	2.3
98.97577	4.5
101.00864	7.5
103.05420	0.5
105.07004	1.7
107.04934	1.9
109.02840	0.9
109.06504	0.8
110.97549	0.6
111.04455	1.4
116.98618	3.1
119.01907	29.8
119.04924	1.1
120.02007	0.8
121.01640	0.7
121.06479	1.3
123.04419	2.5
123.08047	1.4
127.03870	1.2
128.98589	2.3
129.10258	0.6
130.08670	0.5
131.01875	2.7
131.04900	1.8
132.05292	0.7
132.10262	0.5
133.03432	0.8
133.06496	0.9
134.99643	1.5
135.04388	1.2
136.06169	7.0
137.02919	4.7
137.04562	1.9
137.05721	0.7
137.06543	2.0
142.03526	1.0
143.01880	32.4
144.02003	1.2
145.01675	0.7
145.03470	1.4
146.99632	1.7
147.01355	1.6
147.04390	0.8
149.02921	0.8
149.05963	1.5
151.07500	1.2
155.01866	1.0
158.99646	1.2
159.05046	0.8
161.02937	100.0
162.03076	3.1
163.02654	1.4
165.05421	0.8
167.07018	0.7
169.03328	0.5
173.01358	0.6
173.02948	2.9
175.04401	0.7
177.00699	1.8
179.04018	3.0
183.05009	0.8
183.06520	1.3
184.04543	6.0
185.01178	0.7
185.02835	0.7
189.00842	0.8
189.02434	0.9
191.03943	1.4
197.06564	1.1
203.03993	48.3
204.04132	1.4
205.03763	0.7
209.06567	1.1
212.07776	0.6
219.01788	1.7
221.05019	10.4
223.04668	0.6
225.06007	0.6
233.06671	0.6
237.02745	1.7
238.03229	0.6
244.06703	1.2
249.06346	0.8
250.06895	1.0
250.57333	0.6
251.07742	0.9
251.13863	1.0
263.06088	14.5
265.05698	0.7
269.08682	2.0
271.06567	1.2
309.08215	0.6
311.09918	0.7
319.13339	0.6
323.09763	1.1
327.09381	0.8
332.10172	0.6
341.10168	0.8
361.02713	0.5
371.11597	0.8
377.17545	0.5
389.12610	0.8
431.13702	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05006	4.0
68.05835	1.6
69.90994	1.4
70.06586	2.9
70.67635	4.0
79.05467	4.8
81.03397	1.6
85.02895	3.6
85.07655	44.9
91.05406	3.8
93.07024	9.0
95.04964	2.7
97.02877	2.7
97.06497	2.5
98.98441	2.2
103.05418	2.2
107.04940	3.1
114.14703	1.6
116.98559	2.4
121.06488	35.0
123.04400	1.5
125.05963	3.7
127.03842	2.0
131.04904	10.5
132.75987	1.6
134.03616	1.8
139.07500	1.7
149.05959	100.0
150.06340	2.4
150.22400	1.7
152.07042	1.7
163.02602	1.7
167.07025	54.8
174.72531	1.4
177.94235	1.5
180.06667	1.5
205.13553	1.6
223.02689	2.1
233.12804	1.9
251.06017	3.1
251.13803	5.7
260.32919	1.5
269.06778	2.6
269.15002	1.7
311.41684	1.6
323.16248	1.6
335.08084	3.6
353.09119	2.7
387.99969	1.5
396.64520	1.4
403.08859	1.7
431.20239	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.6
55.01853	2.3
55.05503	12.6
55.05716	2.4
57.03414	9.0
57.07044	5.5
67.05499	27.7
69.06284	2.0
69.07063	11.8
70.89922	6.3
71.04955	3.8
72.32137	2.3
79.05474	33.4
80.62478	1.8
81.03432	2.6
81.07044	41.5
83.08595	6.4
85.06542	4.2
91.05463	40.6
93.07030	43.6
95.04940	4.6
95.08589	32.3
97.06493	4.3
98.97807	4.8
98.98450	100.0
99.08064	3.7
103.03896	2.2
105.07011	46.7
106.07282	2.4
107.04939	2.2
107.08572	27.2
109.06469	3.2
109.10110	11.3
111.08023	2.8
117.06994	8.4
119.04901	2.2
119.08559	51.1
121.10117	17.4
128.06239	2.8
129.05458	3.2
129.06949	8.5
131.08537	22.4
133.10115	35.5
135.11665	15.3
137.09590	3.1
142.07730	2.8
142.46443	2.2
143.08513	10.3
145.10092	16.6
147.07996	2.9
147.11670	39.7
149.13216	12.8
155.01042	3.4
157.10126	10.9
159.11662	22.2
161.09586	2.5
161.13226	42.3
163.11078	3.1
163.14806	4.5
165.12729	2.4
169.10069	2.1
171.11629	17.9
173.02090	23.7
173.13200	14.0
175.11151	2.7
175.14819	31.9
185.13208	11.1
187.14752	4.0
199.14777	8.0
201.16364	2.8
215.17938	6.1
217.19524	7.1
231.21069	7.5
241.19458	52.5
244.34468	2.0
259.20544	69.6
260.20883	3.8
271.82556	2.0
312.70828	2.0
315.23050	4.5
333.24179	86.2
334.24582	3.6
413.20627	6.0
431.21936	2.6
431.27664	7.9
442.60620	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01878	1.3
55.05496	7.1
57.03428	6.2
57.07063	3.0
60.57900	1.1
67.05489	20.1
69.03389	1.1
69.07058	6.9
70.06428	2.6
70.06845	2.9
71.04989	3.1
75.04491	1.7
75.78245	0.9
79.05481	22.7
81.03424	2.1
81.07042	25.3
83.04945	1.3
83.08585	2.8
85.02931	1.1
85.06531	3.8
91.05459	33.4
93.07033	25.5
95.04957	2.9
95.08595	18.4
97.06496	1.9
97.10133	1.1
98.98453	100.0
99.08087	3.1
103.03897	1.0
103.05460	1.3
105.07012	40.0
107.08573	17.5
107.09242	1.5
109.10150	9.1
115.05434	1.8
116.99451	1.9
117.07016	8.8
119.08562	42.3
120.08877	1.3
121.06488	1.6
121.10116	15.0
123.08079	1.8
123.11685	2.1
127.11039	0.9
127.97884	0.9
129.05458	2.4
129.06981	7.7
131.08549	14.7
133.10103	27.3
135.08014	1.8
135.11676	13.9
137.09610	1.3
137.13239	1.1
141.06969	1.2
142.07816	1.1
143.08546	6.6
145.10114	17.3
145.62669	1.2
147.08035	1.8
147.11667	28.5
149.09590	1.4
149.13246	7.7
155.01048	6.2
155.08542	1.0
157.10083	6.9
159.11681	16.1
161.13235	36.5
161.14529	2.2
162.13545	1.3
163.11218	1.1
163.14809	4.2
169.10175	2.2
170.10852	1.3
171.11661	11.9
173.02084	20.5
173.13260	10.8
175.11191	2.3
175.14804	26.0
177.12756	2.6
177.16472	1.0
185.13239	12.2
187.14784	5.8
189.12717	2.6
189.16399	1.8
194.24475	1.1
197.13210	1.6
199.14775	6.1
201.16414	1.8
203.14268	1.3
213.16434	2.8
215.14476	1.1
215.18025	2.4
217.19460	3.4
227.46774	1.1
231.21066	8.5
238.23947	1.0
241.19475	37.2
242.19746	2.2
243.21091	1.8
259.20544	60.8
260.20816	3.0
275.20013	1.9
277.21643	1.8
315.23151	4.0
333.24176	33.9
334.24622	2.8
363.96524	0.9
413.20966	9.8
413.30554	1.1
431.21875	4.3
431.28784	3.9
443.49072	1.1
458.72372	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05000	3.3
62.06071	2.7
69.03404	7.0
70.41944	2.2
70.65430	7.4
72.04486	7.4
74.06051	2.7
74.68304	2.3
79.05479	2.4
80.05006	3.6
81.03375	3.3
82.06552	2.1
83.04943	2.2
85.02874	7.2
85.07643	3.3
86.09665	5.1
88.15401	2.0
91.05418	3.5
93.07028	2.4
97.02872	4.8
98.06014	2.1
98.98454	2.1
101.00880	2.4
105.06999	4.5
107.04955	3.9
119.01922	3.4
120.02060	3.4
120.04403	4.2
124.07587	12.9
127.03947	2.3
130.08635	5.4
131.04892	3.0
133.06444	9.4
134.06827	3.3
143.01823	3.6
144.02057	3.2
151.07472	11.4
152.07010	3.7
154.08644	2.3
155.06961	3.0
161.02951	11.7
161.05960	2.8
162.03064	9.7
163.02679	3.5
164.03383	4.3
164.07059	8.3
190.08615	3.7
192.06532	11.8
200.07051	2.2
201.03102	3.2
203.03955	2.7
204.04131	4.7
204.06439	2.4
206.08150	4.1
208.06029	46.9
208.09599	4.5
209.45425	2.6
212.09137	3.2
216.06525	4.7
218.08099	6.9
221.05226	2.9
222.05229	5.7
222.07452	2.2
223.39726	2.1
226.10675	7.3
230.08144	2.9
234.07506	3.4
240.12344	2.9
244.06107	3.7
246.07666	7.5
248.09029	3.3
252.07939	5.3
258.13336	3.1
260.05423	2.9
262.07071	3.6
264.08594	7.8
269.08713	3.4
270.08923	11.9
274.07016	3.9
276.08612	9.6
282.09689	34.7
290.06549	9.4
304.08151	3.0
310.09085	2.3
312.09894	4.3
322.09061	2.0
328.09351	2.4
334.09125	5.0
336.10739	3.9
364.10339	7.7
372.12292	2.6
396.12872	22.6
400.12457	2.8
410.04630	2.4
414.13876	100.0
414.19421	5.1
415.14316	4.9
432.14920	99.5
433.16101	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	432.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07987	1.9
53.03923	7.3
53.87426	1.9
55.01854	3.1
55.05495	20.2
56.05019	15.7
57.03421	5.9
57.07058	2.8
58.06591	19.3
59.04984	3.3
60.04499	3.1
60.19595	2.2
61.02909	8.4
64.46881	2.1
67.05498	18.2
69.03415	31.0
69.07044	8.6
70.06578	11.7
70.07419	2.1
71.01335	3.1
71.04971	8.7
71.70094	2.6
71.70493	3.2
72.08136	5.9
73.02907	4.3
74.06061	9.6
79.05460	12.1
81.03397	16.5
81.07042	17.9
82.06557	3.7
83.01340	2.1
83.04952	10.2
83.08604	6.8
84.04488	3.8
84.08124	8.5
85.02892	54.4
85.06514	6.5
86.03235	2.3
86.06055	5.4
86.09675	13.2
87.04458	5.9
87.10010	2.4
88.87720	2.7
89.05986	2.5
89.10270	2.7
91.03962	4.0
91.05459	12.1
92.68218	1.9
93.07021	26.7
94.06543	4.1
95.04945	21.3
95.08585	27.5
96.08133	7.6
97.02876	23.7
97.06524	7.1
97.10112	2.1
98.06039	8.6
98.09676	9.0
99.04440	12.1
99.08084	28.1
100.07585	6.2
101.02293	2.5
101.06008	8.4
102.05539	3.3
103.05429	2.6
105.07000	17.0
107.04916	5.9
107.08575	31.5
108.08101	10.5
109.02856	9.4
109.06505	12.7
109.10147	34.9
110.06011	8.3
110.09670	6.6
111.04410	7.4
111.08051	5.0
112.07608	3.5
113.02349	2.9
113.05949	3.1
114.05521	6.5
114.09194	3.0
119.08557	21.8
120.08083	4.7
121.06428	4.9
121.08920	2.5
121.09167	2.8
121.10105	25.5
122.09692	5.8
123.04478	3.1
123.08038	8.2
123.11684	6.7
124.07564	5.2
124.11253	2.7
124.45247	2.2
125.09563	11.1
126.05467	5.0
126.09136	4.1
127.03885	15.1
127.11182	2.5
131.04839	2.8
131.08537	10.0
133.10104	22.9
134.09615	2.5
135.08043	12.9
135.11664	16.0
136.11194	5.7
137.05933	4.5
137.09598	11.8
138.09074	2.5
139.03909	3.1
140.07034	3.3
145.04933	6.8
145.10106	6.6
147.11671	6.1
149.09598	18.4
149.13200	7.5
150.12772	3.9
151.11143	6.7
152.10701	3.6
152.14322	7.2
153.09096	5.4
153.12660	2.7
155.10648	8.8
157.10081	2.6
158.08130	3.4
159.11671	6.5
160.11165	3.1
161.09494	3.8
161.13258	5.5
163.11194	5.3
163.14807	2.5
165.12753	4.0
166.08572	19.3
167.07056	5.2
173.13220	6.7
175.11136	2.4
175.14874	6.2
176.14384	6.9
177.12724	4.8
178.12248	6.8
179.10757	2.4
181.04958	9.6
186.07573	7.4
187.63780	2.5
191.14264	12.8
193.15805	5.8
194.15379	5.7
196.13304	7.1
204.08650	38.1
206.10085	2.5
207.13791	5.9
208.16974	3.7
209.15352	19.6
211.16922	12.1
217.15918	2.8
226.17986	14.2
227.16524	2.8
229.17943	3.8
234.16220	2.2
234.18478	32.0
235.13240	4.1
235.16934	6.6
252.16774	4.6
252.19524	87.2
253.17883	3.2
270.13583	2.0
270.17584	3.3
270.20596	71.8
292.11697	3.9
403.13803	4.6
414.24771	22.6
432.19919	6.2
432.25897	100.0
433.20892	4.8
433.26495	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	433.1122
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
57.03415	0.1
65.49621	0.1
67.01862	0.5
68.99771	0.3
69.03396	0.2
71.70212	0.1
76.00971	0.1
79.05482	0.1
81.03407	0.2
81.07059	0.2
85.02881	0.2
85.07642	0.4
91.05453	0.5
95.04910	0.1
95.08597	0.2
97.02915	0.1
97.06551	0.1
105.06979	0.2
107.04961	0.1
107.08575	0.3
109.02843	0.1
109.10107	0.2
119.04916	1.9
119.08593	0.2
121.02851	0.6
121.06467	0.1
127.03931	0.1
129.01834	0.2
141.06950	0.1
145.02786	0.5
153.01797	4.3
163.03856	0.4
164.06969	0.2
167.06990	0.1
171.02867	0.6
173.62895	0.1
181.04938	0.3
182.26031	0.1
187.03862	0.2
203.06972	0.1
213.29178	0.1
221.18457	0.1
225.05353	0.3
229.04904	0.2
243.06462	0.3
271.05957	100.0
272.06284	3.7
315.23532	0.1
433.11020	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1124
Annotation	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
52.22469	0.7
53.03935	0.8
55.01858	0.8
55.05501	1.0
57.03407	1.2
60.18180	0.7
65.03938	1.0
67.05486	2.1
69.03398	3.5
69.07042	1.3
71.04977	1.0
71.16525	1.5
73.02895	1.2
79.01837	1.5
79.05486	2.4
79.64645	0.8
81.03413	4.9
81.07054	3.7
83.04952	1.5
85.02895	6.9
85.06513	1.1
86.09689	0.8
91.05456	2.9
93.07034	5.2
95.04934	2.3
95.08586	2.3
97.02872	2.8
97.06503	1.7
98.97600	0.8
99.04440	1.3
103.05400	1.1
105.06999	3.3
107.04918	3.2
107.08534	2.6
108.04437	1.2
109.02846	3.7
109.06483	2.3
111.04440	1.3
111.08047	2.6
115.05423	0.7
116.84337	0.8
117.07078	0.8
119.04915	5.4
119.08553	2.5
120.08123	0.9
121.02854	15.4
121.06482	2.2
121.10120	3.8
123.04398	1.8
123.08049	1.7
124.07581	1.5
127.03880	2.6
131.04887	1.3
131.08513	1.3
133.10103	2.5
136.07550	1.8
137.02342	1.4
137.05959	2.4
137.09636	0.8
138.03084	1.1
138.08159	1.0
141.01793	1.1
143.08467	0.9
145.02814	2.8
145.10109	1.1
147.04393	1.2
147.07961	1.0
147.11618	1.8
149.02321	1.4
149.09679	1.6
153.01768	0.9
157.10114	1.5
160.56134	0.7
161.05968	1.6
163.03879	3.0
164.07057	3.1
164.42223	0.8
165.01817	9.3
165.07190	1.1
165.12653	0.8
167.03400	2.9
167.07004	2.8
167.10663	2.3
175.11145	1.2
177.01764	2.2
179.03302	1.5
181.04912	7.4
183.02907	4.3
184.03778	1.0
185.11719	1.9
187.03827	1.2
191.03325	1.4
193.77744	0.9
195.02835	1.3
205.04938	1.6
207.02751	0.8
211.07584	1.4
213.05418	3.0
215.03383	0.9
215.06927	0.8
217.04929	2.5
217.12210	1.9
218.52141	0.9
221.08057	1.8
228.07834	1.2
229.04846	1.2
235.13188	1.3
235.16861	1.5
239.06987	1.6
243.02931	1.0
243.06482	0.8
253.14352	0.9
253.17996	1.1
255.06499	5.2
256.07230	4.7
259.05978	1.5
261.03906	1.6
266.05890	0.9
267.06418	5.4
270.05240	2.5
271.05893	6.2
279.06500	2.2
281.05106	0.9
281.07947	5.1
283.05969	100.0
284.06702	31.2
285.07416	2.8
287.05453	1.2
295.06012	15.3
295.09302	1.5
296.06387	1.2
297.07544	11.6
305.08020	1.7
307.06042	2.3
308.06741	3.3
309.04120	1.4
309.07492	15.1
310.08105	0.8
311.05405	1.7
313.07016	98.5
314.07391	3.6
321.07529	2.9
323.05655	1.5
323.09091	21.7
325.07004	3.0
327.08545	1.1
333.07489	2.8
337.07010	35.4
338.07217	1.5
343.07919	4.0
349.07019	8.0
351.08511	4.1
355.08047	1.3
361.07019	6.6
367.08142	24.6
368.08325	1.2
379.08099	19.0
397.09106	31.7
398.09283	1.2
403.13736	3.3
415.10153	31.6
416.10532	1.8
433.11218	43.8
433.20596	1.7
434.11508	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1487
Annotation	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
Peak:m/z	Relative Intensity
52.75430	0.5
53.03936	2.3
55.01861	1.3
55.05492	0.5
57.03408	0.7
64.62085	0.4
65.03929	6.6
67.05489	3.2
69.03401	2.1
69.07034	1.1
70.06573	1.0
71.04976	1.2
71.70032	0.7
71.70462	0.7
72.08141	4.5
77.03922	0.7
79.05479	8.7
81.03397	1.2
81.07041	2.2
82.04174	2.5
84.04459	0.7
84.08096	0.5
85.02891	6.6
86.09679	2.1
91.05470	1.4
93.03365	1.4
93.07037	0.6
94.04230	0.4
94.07319	0.5
95.04951	7.3
95.08583	0.8
97.02825	0.9
97.06516	2.9
98.97595	0.5
99.04417	0.6
103.05444	1.2
105.04448	0.7
105.07015	6.6
107.04941	18.4
107.08563	0.7
108.02103	1.4
109.02856	0.8
109.06480	0.7
110.03632	3.7
111.04469	2.6
114.09146	1.2
115.05412	2.2
117.07001	0.8
119.04905	0.7
121.06467	0.8
121.10187	0.6
122.03616	0.8
123.00804	0.7
123.04424	5.1
124.03922	0.6
124.05193	3.9
125.05961	4.5
127.03896	3.2
131.04871	0.9
133.02837	1.1
133.06476	8.4
137.05978	1.2
138.03091	2.1
140.04683	1.6
142.02597	2.6
145.06447	1.2
146.03671	0.5
147.04399	1.3
149.06006	1.0
151.03841	0.5
152.04643	1.4
153.05444	1.6
155.07016	2.2
159.11287	1.2
161.04721	0.9
161.05963	11.2
163.03983	0.7
163.31102	0.5
166.02496	0.6
167.07011	24.1
168.07397	0.5
171.06493	6.7
173.05927	0.8
178.06212	0.9
179.07080	0.8
181.04929	100.0
182.05298	1.4
183.06526	2.3
187.10780	0.7
189.05467	1.8
191.06992	0.8
193.08577	13.5
205.08549	0.5
206.05684	1.8
207.06424	0.5
211.10675	0.7
219.06392	0.5
221.08055	31.9
233.08009	1.7
249.07544	15.0
253.08478	0.6
254.41585	0.6
261.07492	0.6
265.08600	0.5
267.06461	0.7
310.17963	0.5
325.10504	0.9
358.10165	0.7
372.11899	1.2
373.12701	1.3
385.12515	0.7
403.13831	52.5
404.14124	2.5
433.15247	4.5
433.20432	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	433.1489
Annotation	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
Peak:m/z	Relative Intensity
53.03922	2.0
55.01849	1.1
55.05482	0.5
57.03411	2.1
61.02916	1.0
65.03928	7.0
67.05490	3.4
69.03412	4.2
69.07043	0.9
69.61346	0.6
70.06574	1.2
71.70573	1.0
72.03728	0.5
73.02914	3.1
77.03921	0.6
79.05486	9.3
81.03391	1.6
81.07027	2.1
82.04182	3.2
83.04957	0.8
85.02891	9.6
86.09677	1.2
86.99145	0.5
91.05459	1.8
93.03391	1.2
93.07007	1.9
95.04954	7.2
95.08597	1.2
97.02865	4.4
97.06506	2.4
99.04401	0.7
103.05447	1.4
105.04509	0.7
105.07014	7.0
107.04240	0.9
107.04939	16.4
107.08549	1.1
108.02063	1.5
109.02863	1.0
109.10122	0.6
110.03636	2.9
111.04414	2.2
111.08054	0.6
115.03894	2.3
115.05413	1.9
117.06955	0.9
119.08598	1.0
121.06482	0.9
121.10142	1.0
122.03594	0.8
123.04404	5.3
123.08028	1.0
124.05196	2.6
125.05983	4.6
127.03881	2.2
131.04907	0.9
133.04948	0.7
133.06459	7.1
135.04433	0.7
135.08069	0.6
137.05931	1.1
138.03102	2.0
139.03816	0.7
140.04657	1.0
142.02596	3.0
145.04912	1.7
145.06448	0.9
147.04469	1.0
149.05922	1.6
151.03893	0.7
151.07610	0.6
152.04657	1.8
153.05449	1.4
155.07053	2.6
159.11612	0.6
160.05191	0.6
161.05960	12.0
163.05963	0.9
166.70178	0.5
167.07019	21.4
171.06516	6.6
178.06192	1.1
179.06892	0.7
180.08733	0.6
181.04930	100.0
182.05289	2.9
183.06508	3.4
185.11658	1.0
189.05431	2.0
191.07050	0.9
193.08580	13.0
206.05766	1.7
207.06541	0.7
217.12430	0.5
221.08054	33.0
222.08481	1.0
233.08051	0.9
235.16856	0.6
249.07553	18.5
253.17943	0.8
330.10049	0.7
342.10944	0.6
357.13480	1.0
358.10245	0.7
372.11810	0.9
373.12668	1.3
403.13824	62.0
404.14398	2.7
433.15390	1.7
433.21625	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.7
55.01878	1.8
55.05500	1.7
57.03423	6.4
62.36957	1.3
65.70969	1.3
67.05499	3.6
69.03427	7.2
69.07054	2.6
71.70758	1.7
75.04465	18.2
75.49193	1.3
78.61879	1.3
79.05464	3.3
81.03400	6.5
81.07047	28.2
83.08578	1.3
85.02893	12.5
86.09689	2.4
87.00817	4.8
91.05463	7.5
93.07030	60.5
95.04961	3.7
95.08601	3.6
97.02874	6.5
97.10142	2.7
99.04512	2.2
103.05408	1.5
103.51270	1.4
105.01844	2.7
105.07003	6.0
107.08569	6.3
109.02880	9.2
109.06480	1.4
109.10157	7.5
111.08063	25.7
119.08524	2.5
121.10127	76.4
122.10468	2.5
123.08052	3.1
123.11726	2.3
127.03897	11.2
133.07556	1.6
136.07538	4.3
137.09615	2.4
139.11180	3.9
145.04890	2.0
149.09590	9.1
155.10657	10.7
164.07040	4.6
167.10657	64.8
181.05038	2.4
185.11713	100.0
186.12120	1.9
231.05008	2.1
283.06161	2.1
347.00861	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02640	1.2
51.02374	1.2
53.03933	4.0
55.01864	10.0
55.05504	33.1
57.03437	7.1
57.07096	1.3
59.04993	1.8
65.03932	3.7
65.86514	1.1
66.21671	1.0
67.05492	42.5
69.03417	7.5
69.07049	15.2
70.95898	4.0
71.04976	2.8
73.58032	1.2
77.03918	1.5
79.05015	2.9
79.05479	46.3
81.03402	10.5
81.07042	41.6
81.07766	1.5
83.04971	7.6
83.08598	16.1
85.02879	3.0
85.06525	3.6
85.16975	1.3
88.32245	1.1
89.17075	1.1
89.21999	1.1
91.05463	42.5
93.07030	35.1
95.04949	30.0
95.08593	24.3
97.02885	1.5
97.06522	4.4
97.10162	20.8
99.04424	1.3
99.08069	3.1
103.05440	4.3
105.03381	1.8
105.04514	2.4
105.07008	33.2
107.04932	14.5
107.08573	28.8
109.02866	2.3
109.06493	5.8
109.10137	15.5
111.08042	4.6
113.06007	1.6
114.27179	1.1
115.05447	5.1
117.06995	17.8
119.04897	6.7
119.08559	22.5
121.06488	17.6
121.10116	21.4
123.04379	1.9
123.08062	11.5
123.11711	3.7
125.09612	18.7
127.03954	1.2
128.06204	5.5
129.05478	2.4
129.06982	24.3
130.07816	1.8
131.04915	14.4
131.08546	29.1
133.06477	7.8
133.10100	14.3
135.04420	2.5
135.08015	9.8
135.11676	3.9
137.05965	2.9
137.09615	2.3
137.13167	1.4
139.11244	1.3
141.06985	11.0
142.07777	3.8
143.08539	16.1
145.06451	22.6
145.10107	21.5
146.07066	1.1
147.04385	11.5
147.08025	11.0
147.11646	7.3
149.09595	19.8
149.13197	2.1
151.11177	1.9
153.07018	2.5
153.09108	2.8
154.07797	2.0
155.08533	10.0
156.09297	2.8
157.06516	3.4
157.10069	9.6
159.08020	8.8
159.11673	13.9
161.05984	1.4
161.09608	5.2
161.13240	6.1
163.07623	1.8
163.11194	4.6
163.14833	1.6
165.06989	2.2
167.08563	4.1
168.09392	1.6
169.06433	2.6
169.10106	14.6
170.10797	1.5
171.08067	4.6
171.10246	1.6
171.11649	20.7
173.09590	8.6
173.13274	4.4
175.11183	2.8
175.14845	2.3
177.12785	2.4
179.08514	2.1
179.10693	1.4
181.05011	1.6
181.06537	1.4
181.10184	3.7
183.08061	3.5
183.11676	7.4
185.09624	4.2
185.11819	1.8
185.13115	6.6
187.11154	10.1
187.14803	3.5
189.09204	3.1
189.11194	8.9
189.12746	13.6
189.16481	1.5
191.10628	2.1
193.10089	2.1
193.12198	3.3
195.11703	4.3
197.09648	5.1
197.13274	3.5
199.11159	6.0
199.14699	2.8
201.12709	4.0
201.16267	2.0
203.10684	3.2
203.14259	2.1
205.10565	1.3
205.12192	7.2
207.11676	2.1
209.13258	2.5
211.11229	6.1
211.14825	2.7
213.12759	5.3
213.16365	1.4
215.10698	3.7
215.14359	1.4
215.17902	1.9
217.12331	1.4
223.11325	2.1
223.13315	4.6
225.12727	4.1
227.12781	4.0
229.12213	5.5
231.13722	3.2
239.14392	1.6
243.13777	5.4
247.13310	2.0
249.14612	2.2
253.19313	1.5
257.15442	5.4
267.15918	3.7
273.14871	3.4
277.19373	2.2
295.20575	3.9
305.19055	2.6
313.21640	5.4
321.17191	2.0
323.20023	23.9
331.22687	1.6
341.21057	100.0
342.21234	2.8
359.22296	9.3
397.23779	3.2
397.31458	1.9
415.19177	1.7
415.24759	35.3
415.29892	1.8
433.25818	69.8
433.31308	8.2
434.26074	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	433.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.7
53.03931	4.0
55.01870	9.6
55.05503	33.5
56.01492	1.1
57.03429	10.1
57.07078	1.2
65.03913	2.1
67.05498	39.8
69.03431	6.3
69.07057	13.9
69.52197	12.0
71.04979	4.4
79.05483	49.9
81.03419	9.1
81.07043	35.2
83.04967	7.2
83.08609	17.7
85.02869	1.8
85.06538	2.7
91.05470	39.3
93.07030	34.9
95.04956	30.7
95.08591	17.8
97.06513	5.2
97.10159	19.9
103.05476	2.3
105.07017	32.7
107.04939	15.3
107.07851	0.9
107.08576	22.5
108.80295	1.2
109.06505	7.0
109.10143	9.2
111.04445	1.4
111.08069	3.7
115.05454	4.5
116.06256	2.1
117.07006	21.0
119.04947	3.6
119.08564	15.7
121.06494	19.2
121.10127	17.2
123.04366	2.0
123.08078	6.8
123.11702	1.6
125.06009	1.3
125.09600	17.8
128.06223	7.1
129.05496	2.5
129.06990	20.6
131.04892	10.4
131.08546	29.2
133.06488	8.8
133.10107	11.1
135.08014	10.2
135.11642	3.8
137.09612	2.3
141.06964	11.3
142.07738	2.3
143.04961	1.2
143.08543	14.3
143.10744	1.2
144.05765	1.2
144.09349	1.4
145.06462	21.4
145.10101	15.1
147.08025	9.2
147.11681	5.1
149.05983	1.1
149.09586	24.9
151.11124	1.4
153.05508	1.1
153.06975	2.8
153.09079	2.7
154.07747	2.0
155.08521	10.3
156.09373	1.8
157.06468	4.9
157.10088	7.7
159.08003	9.1
159.11710	9.6
160.08946	1.1
161.05869	1.2
161.09630	6.8
161.13216	3.8
163.07597	1.5
163.11186	4.3
165.07010	2.5
166.07603	1.3
167.08568	5.1
168.09384	1.1
169.06425	1.7
169.10126	14.5
171.08058	4.9
171.10263	1.7
171.11652	20.0
173.09624	7.3
173.13223	2.5
175.11160	2.5
175.14838	1.4
177.09123	1.3
177.12737	2.4
178.07675	1.5
179.08470	2.6
181.10126	3.6
183.08072	2.2
183.11716	5.3
185.09595	4.7
185.11705	1.4
185.13272	4.1
187.11192	9.8
187.14764	2.6
189.09161	3.9
189.11201	9.7
189.12759	12.8
191.10710	1.6
193.10133	2.6
193.12285	1.5
195.11707	3.1
197.09627	3.6
197.13206	2.9
199.11163	4.8
199.14812	2.5
201.12764	2.8
201.16353	1.5
203.10655	2.5
203.14301	1.7
205.10565	1.2
205.12178	7.2
207.11600	2.2
209.13297	1.6
211.11191	8.6
213.12743	3.9
213.16435	1.4
215.10675	3.2
215.14232	2.1
219.11853	1.1
223.13116	6.9
225.12921	2.5
227.12730	4.7
229.12280	4.4
231.13864	2.8
237.12668	1.3
239.14224	3.3
243.13840	5.9
249.14778	1.9
257.15460	2.6
261.14804	1.8
267.15948	3.2
273.14819	3.8
295.20584	3.3
298.70557	1.4
305.19006	3.2
313.21600	5.3
323.19974	24.6
341.21082	100.0
342.21432	2.7
349.52747	1.2
359.22055	11.5
377.23273	1.7
379.22562	1.5
389.23270	1.9
397.23755	3.3
415.24832	36.5
416.24860	2.3
433.25833	60.4
433.30981	3.3
434.26343	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.7
67.05493	32.1
69.07052	8.0
69.36337	34.5
72.25836	3.2
79.05484	11.6
81.07047	41.2
83.08594	4.3
91.05461	19.4
92.95103	2.8
93.07040	15.4
95.05052	2.9
95.08597	37.0
97.10172	3.8
105.07024	7.0
107.08586	9.9
109.10131	26.7
117.07073	2.9
119.04919	22.1
119.08557	9.4
121.10142	11.3
123.11684	8.9
126.26087	2.5
131.08534	7.0
133.10117	16.8
135.11667	6.7
137.09564	3.0
143.08524	3.8
145.10164	6.8
147.04396	100.0
147.05566	5.1
147.11687	4.8
149.13193	5.1
151.11163	8.0
151.14813	2.9
165.05467	24.1
169.09999	3.8
173.13260	3.3
175.14844	3.5
215.17987	10.6
233.18958	5.9
251.20030	16.6
319.24274	3.2
433.30933	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	433.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	11.4
57.03401	1.9
62.60529	1.7
64.57015	1.7
66.94866	1.9
67.05497	45.1
69.03422	2.5
69.07049	7.8
71.71812	3.0
79.05480	14.8
81.06606	3.3
81.07047	45.7
83.08611	8.7
91.05460	25.3
93.07021	15.6
95.04928	2.6
95.08595	48.0
97.06503	2.7
97.10134	2.6
98.98452	18.8
105.07027	9.7
107.08578	13.8
109.10135	30.2
111.08041	2.6
117.06980	2.9
119.04926	31.5
119.08542	11.7
121.10155	13.4
123.08031	3.0
123.11697	13.3
131.08543	4.4
133.10101	14.1
135.11694	14.1
135.12585	2.6
137.09669	5.0
137.13258	4.5
143.08479	2.1
145.10062	9.3
147.04388	100.0
147.11641	5.6
149.13202	6.6
151.11142	5.4
151.14801	2.3
157.10141	1.8
159.11707	4.8
161.13283	2.1
165.05463	16.8
169.10103	2.2
171.11626	3.0
173.13199	4.6
177.12657	2.5
187.14758	3.6
192.35408	1.8
195.13654	2.2
215.18007	11.9
233.18906	9.7
251.20006	21.3
274.60959	2.1
280.63809	2.0
433.31168	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	433.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.5
57.03431	4.8
57.07064	0.9
67.05499	3.9
69.07065	4.8
70.45967	0.5
71.08596	0.7
71.42456	1.2
75.11601	0.7
79.05479	2.2
81.07048	4.4
83.08592	3.8
93.07027	2.3
95.08598	4.5
97.06516	1.0
97.10156	1.6
105.06988	0.7
107.08564	2.1
109.10143	2.0
112.99999	100.0
121.10127	2.6
123.11652	0.9
127.47655	0.6
131.01021	1.5
135.11658	1.2
139.01462	0.8
154.02631	1.0
169.02591	87.7
170.02971	1.3
170.66850	0.7
247.24133	0.9
265.25229	1.2
285.00415	0.6
323.50879	0.6
390.18430	0.9
405.20700	1.6
433.20105	6.3
457.40802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3093
Annotation	4,4'-Diaponeurosporenic acid
Peak:m/z	Relative Intensity
51.67462	1.0
53.03931	1.4
55.05502	10.1
57.07053	2.6
67.05499	12.8
69.03403	1.3
69.07065	6.6
69.76283	7.6
71.04980	1.3
75.02274	1.1
79.05475	12.9
81.03384	1.6
81.06598	1.8
81.07043	19.7
83.08612	5.3
85.06529	1.2
87.48814	1.0
91.05463	15.4
93.07033	18.4
95.04933	3.8
95.08596	27.5
99.08094	1.8
105.07011	31.6
107.08574	33.0
109.06510	3.2
109.10149	13.9
111.08135	1.2
117.06998	6.3
119.08563	40.4
121.10118	16.2
123.08062	2.4
123.11674	3.6
125.05951	1.4
125.09585	1.8
128.06209	1.7
129.06998	5.2
130.07751	1.5
131.08551	19.1
133.10109	30.6
135.08014	1.7
135.11646	6.5
137.05966	1.9
141.06966	2.5
142.07722	5.0
143.08551	13.3
144.09262	3.4
145.10094	29.4
147.11650	13.5
147.91049	1.0
149.13226	2.9
151.07480	1.5
153.09068	1.3
155.08553	4.4
156.09341	5.0
157.10106	23.2
158.10869	2.4
159.08084	1.9
159.11671	28.5
161.09650	1.4
161.13246	8.6
163.07597	2.8
163.14771	2.2
165.07063	1.2
167.08560	2.4
168.09215	1.3
169.10086	9.3
170.10883	2.9
171.11673	16.2
172.12424	2.9
173.09717	1.1
173.13258	18.8
175.14812	13.7
177.16292	2.0
179.08534	1.9
179.10480	1.2
181.10077	2.9
182.10861	1.7
183.11662	7.8
184.12440	3.3
184.22433	1.1
185.13251	11.0
187.11099	1.3
187.14793	25.6
188.15109	1.1
189.08923	1.3
189.16347	8.4
193.10027	1.6
195.11653	4.8
196.12433	2.3
197.13252	12.7
198.13914	1.3
199.14780	19.6
201.16365	17.9
203.14357	1.4
203.17888	1.7
205.10040	1.2
207.11667	2.2
209.13240	6.8
209.14961	1.3
210.13887	1.6
211.14764	10.2
213.16368	20.6
215.14314	1.3
215.17894	3.7
217.15848	1.4
219.13799	2.1
221.13255	2.2
222.14032	1.4
223.14738	5.6
225.16388	4.3
226.17076	1.2
227.17921	4.3
231.13834	1.7
235.14774	2.2
237.16368	4.5
239.17963	2.7
241.19434	2.4
243.17435	1.5
245.15349	3.8
247.14783	1.2
249.16359	1.8
251.17961	3.3
253.19562	4.0
257.15286	1.9
261.16464	2.3
263.17908	2.6
265.19476	6.0
267.21094	1.5
272.33658	1.1
275.17853	1.7
277.19516	2.8
279.21011	4.8
280.21744	1.1
281.22620	3.4
291.21066	3.1
293.22571	2.1
305.22308	1.6
317.22501	1.6
323.20203	1.8
325.21683	2.9
331.24246	2.0
339.23080	3.4
341.21005	1.2
349.21448	1.3
351.23285	2.8
363.23212	2.2
377.24551	1.9
387.30450	20.1
391.26471	1.4
405.31714	4.9
415.29947	4.7
433.30966	100.0
434.31180	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	433.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32382	0.5
53.03928	1.4
55.05503	5.3
55.76493	0.6
55.98400	0.7
57.07056	1.5
65.03914	0.9
67.05495	8.7
69.03407	1.2
69.07058	7.7
79.05473	7.4
81.07039	11.0
83.08595	2.8
91.05458	11.3
91.92067	0.7
93.07027	14.9
95.04934	2.1
95.08588	20.0
97.10137	0.9
105.07013	18.4
107.04993	0.7
107.08575	31.0
108.08855	0.6
109.02859	0.9
109.06490	2.0
109.10147	10.0
111.08050	0.8
115.05396	1.0
117.06979	3.8
119.08558	30.6
121.06474	1.1
121.10122	11.7
123.04346	0.7
123.08032	1.2
123.11665	3.1
125.09584	0.8
128.06232	1.9
129.06978	5.3
130.07776	1.1
131.08543	15.2
133.10106	21.4
135.08022	0.8
135.11661	6.1
137.05995	0.9
137.09631	0.9
137.13272	0.9
141.06981	2.0
142.07784	3.2
143.08536	12.7
144.09314	2.6
145.06523	1.1
145.10095	20.6
147.08002	0.6
147.11664	10.0
149.13245	3.1
151.11140	1.0
153.07001	0.8
153.09048	0.8
154.07831	0.8
155.08524	4.8
156.09299	6.5
157.10103	19.0
158.10799	1.9
159.08070	1.4
159.11674	18.4
161.09575	1.0
161.13260	8.9
163.14812	2.6
167.08519	1.3
168.09320	1.2
169.10085	10.9
170.10889	2.7
171.08047	1.0
171.11647	17.4
172.12361	1.5
173.13228	17.7
175.14789	13.5
176.15199	0.8
177.09021	0.6
177.16335	1.5
179.08464	0.8
181.10109	2.5
182.10875	2.5
183.11676	7.8
184.12419	2.5
185.09717	1.2
185.13222	11.8
187.14775	19.7
189.16306	6.3
193.10129	1.3
193.15823	0.7
194.10751	0.9
195.11653	3.9
196.12427	2.3
197.13222	10.2
198.13921	1.6
199.11180	3.2
199.14787	22.6
200.15337	1.1
201.12648	2.0
201.16339	18.0
203.14276	0.8
203.17909	4.3
205.12241	0.8
207.11626	1.7
209.13135	3.9
210.13942	1.2
211.14798	9.4
213.12849	4.4
213.16354	14.4
215.14374	0.8
215.17911	3.2
217.12267	1.3
219.13753	1.0
219.17374	0.8
220.12390	1.0
221.13231	2.2
223.14767	2.2
225.16318	4.7
227.17819	4.1
229.15945	1.0
231.13748	1.0
233.13202	1.2
233.15320	0.8
235.14592	1.3
237.16304	3.4
239.17882	4.4
241.15857	1.0
241.19540	2.0
243.17555	0.7
245.15308	2.4
247.14687	1.5
247.16953	2.5
249.16353	1.1
251.17921	3.6
252.18576	1.0
253.19476	2.1
257.15298	1.3
259.16861	1.2
261.16330	1.0
263.17957	2.1
265.19513	2.8
267.21027	1.6
271.16910	1.5
275.17798	0.9
277.19540	2.0
279.21021	3.1
281.22540	1.0
285.18442	1.3
289.19565	1.1
291.21072	2.6
293.22482	0.8
297.18387	1.4
303.21048	1.7
305.22470	1.0
309.18674	0.9
309.22165	0.8
311.20023	1.1
317.22699	2.8
318.23279	0.9
319.23978	1.1
323.19888	1.9
325.21484	2.0
331.24146	2.0
333.25476	0.9
339.23108	1.7
345.25888	2.1
349.21799	1.1
357.25858	0.8
359.27731	0.8
363.23053	1.0
364.24023	0.9
365.24567	1.1
372.28146	1.2
377.24789	1.6
387.25723	1.4
387.30383	18.9
388.30884	1.4
389.31796	2.0
391.26172	1.9
393.01465	0.7
405.31540	4.4
415.30161	2.3
433.30960	100.0
434.31329	7.5
451.31934	11.0
451.37570	1.0
452.32465	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.1
55.05503	40.6
59.04714	4.5
59.04992	64.0
63.84612	3.1
65.03915	3.8
67.05499	24.1
69.03397	5.2
69.07045	7.4
71.13988	8.9
75.04439	3.5
79.05483	20.3
81.07056	24.6
85.06535	100.0
91.04916	5.9
91.05467	62.8
93.01382	3.0
93.07033	39.2
94.42663	3.3
95.04955	9.4
95.08590	31.6
97.06508	4.3
103.05451	5.2
105.07011	53.6
107.04934	4.0
107.08585	26.8
109.06481	14.8
109.10136	19.7
109.48372	3.7
111.08086	17.4
115.05444	10.5
117.07017	23.4
119.07747	5.3
119.08559	76.5
121.06528	4.3
121.10133	24.9
122.07304	9.2
123.08032	11.6
125.09622	25.4
128.06181	18.0
129.06990	14.4
130.07784	7.4
131.08557	31.2
133.10071	21.6
135.08029	9.5
135.11658	9.9
137.09618	26.8
141.06979	3.8
142.07724	17.3
143.08559	29.5
145.10098	35.3
147.07993	5.5
147.11665	11.6
149.09602	10.2
151.11156	33.0
154.07597	4.4
155.08528	11.4
156.09306	10.0
157.10124	28.9
159.07988	4.6
159.11626	12.9
161.09572	6.8
163.11157	7.8
165.06908	4.3
167.08542	6.9
168.09332	4.5
169.02655	4.2
169.10069	13.8
170.10904	5.6
171.11690	21.2
173.13252	9.6
175.11136	5.6
179.08533	7.6
180.09204	3.8
181.10088	9.5
182.10979	4.4
183.11665	14.3
185.13235	8.1
189.12694	8.1
193.10152	8.0
194.10828	5.2
195.11661	8.2
197.13245	8.1
199.14870	5.5
203.14348	7.9
206.10919	4.2
207.11674	8.7
208.12582	4.5
209.13176	11.4
211.14771	6.8
215.14270	6.6
221.13213	8.7
223.14752	8.0
225.16403	4.2
235.14877	4.2
263.18082	3.6
433.30649	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	433.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.05505	26.8
59.04991	58.5
67.05498	10.1
69.03424	5.3
69.07050	8.0
79.05467	12.5
80.47196	1.9
81.07056	13.2
83.04971	3.5
83.08669	2.3
85.06531	100.0
91.05472	31.3
93.07028	27.0
95.04969	9.4
95.08599	17.1
97.06519	3.2
99.08044	3.4
103.05435	3.2
105.07011	36.5
107.08579	25.3
109.06515	8.0
109.10138	14.1
111.08066	10.0
115.05425	5.5
117.07008	13.4
119.08569	64.0
121.06505	4.8
121.10153	21.2
122.07266	2.7
123.08035	7.4
123.11706	4.6
125.09629	27.1
128.06194	7.7
129.06985	5.7
131.08559	18.6
133.10089	22.1
135.08066	4.6
135.11673	8.6
136.56694	2.1
137.09607	22.5
141.06982	5.3
141.09145	3.6
142.07765	12.4
143.08543	19.2
144.09303	3.8
145.10117	30.5
147.08009	6.1
147.11673	6.6
149.09602	8.0
151.11166	30.3
153.07004	3.0
155.08543	6.7
156.09337	7.6
157.10117	24.0
159.08006	3.3
159.11690	11.0
161.09567	3.2
163.11174	7.1
165.07056	2.8
165.12724	3.5
167.08606	3.9
168.09364	6.7
169.10133	9.7
170.10861	4.1
170.29259	2.5
171.11665	17.3
173.13237	5.9
175.11186	5.7
175.14751	3.7
179.08571	6.8
181.10121	6.8
182.10878	3.9
183.11644	10.6
185.09496	2.3
185.13242	8.3
187.11238	2.6
187.14848	4.4
189.12732	5.1
193.10158	5.8
194.10959	4.9
195.11716	9.2
197.13242	9.7
199.14833	4.0
201.12636	3.1
203.14328	7.5
206.10829	2.5
207.11639	8.5
208.12494	3.0
209.13196	11.8
211.14850	6.1
213.12654	3.6
215.14310	7.1
219.11720	3.0
220.12349	2.8
221.13235	6.2
223.14807	6.1
225.16365	3.0
235.14885	6.6
241.15955	2.7
249.16589	3.5
251.17839	2.4
261.16425	3.6
265.19391	3.3
341.24817	4.1
389.17325	2.8
403.19330	2.9
418.21521	3.6
433.23804	26.4
433.30914	7.3
434.24802	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	434.1802
Annotation	Naamidine A
Peak:m/z	Relative Intensity
53.03952	0.8
55.01837	1.0
55.50853	0.8
56.96550	2.5
57.03418	1.8
60.04489	1.0
61.02915	1.4
67.05501	1.2
69.03421	5.0
70.06571	1.2
70.87138	1.7
70.87486	1.0
71.04979	1.2
72.08153	1.0
72.70367	0.7
73.02885	1.3
74.06052	1.2
77.21510	0.8
77.27762	0.7
79.05495	1.3
81.03403	7.1
81.07031	1.6
83.01334	0.8
83.04953	2.0
84.04470	1.0
84.08138	1.3
84.48203	0.8
84.95994	0.8
85.02883	7.7
86.09702	1.4
91.03934	0.8
91.05481	3.4
93.07035	1.1
93.22594	0.9
95.04945	3.1
97.02870	3.3
98.97565	7.2
103.05417	1.2
105.07050	0.9
107.04943	1.0
107.87880	0.8
109.02859	1.4
109.06496	1.4
111.04427	1.9
113.51481	0.8
116.98585	4.5
119.01878	1.7
121.06492	2.3
123.04397	3.5
127.03880	2.3
128.98595	2.0
130.06523	1.2
131.00145	0.9
131.01846	1.3
134.99648	2.0
137.05956	2.2
138.05431	0.9
143.00235	1.1
143.01849	4.5
145.04985	1.0
146.99651	1.3
149.06012	1.9
153.05409	1.5
155.04599	1.3
158.99643	3.3
161.01186	1.1
161.02954	6.8
162.03342	0.8
165.05458	1.3
167.07013	2.2
170.99596	1.0
177.00664	4.1
183.17822	0.9
185.01254	1.4
189.00786	1.1
201.00755	1.1
203.04015	2.0
204.08328	1.0
208.11191	1.6
219.01808	3.5
220.07565	1.0
221.05028	1.0
221.08366	2.3
226.12221	2.0
228.10231	1.0
229.03265	1.9
236.07249	1.8
236.10654	6.0
237.02766	4.1
238.12257	1.5
239.09361	1.3
254.11729	28.5
254.14357	1.5
255.12373	0.9
256.13351	1.6
272.12793	25.4
287.09702	1.7
291.07361	1.3
293.10715	1.2
309.08545	2.6
351.09506	1.5
363.09576	1.0
416.16946	5.3
434.18082	100.0
435.07489	5.1
435.14304	3.3
435.18787	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01854	4.0
55.05486	3.0
55.12099	1.6
56.05034	1.5
57.03157	2.6
57.03428	40.2
61.02919	16.5
61.44914	1.5
65.03925	4.5
67.05480	3.8
69.03420	56.3
69.07042	1.9
69.86168	3.3
69.86578	8.7
70.06571	4.0
71.01345	5.1
71.04970	3.9
72.08149	2.0
73.02906	81.8
79.05467	5.9
81.03403	10.3
81.07030	4.0
82.04178	2.3
83.04974	4.8
84.04488	2.6
85.02891	100.0
86.09676	3.3
87.04439	6.2
91.03938	5.0
91.05476	5.9
93.07011	2.5
95.04961	4.9
95.24540	1.5
97.02877	73.0
97.06493	2.9
99.04424	4.0
101.02356	1.9
101.51805	1.5
102.23633	1.9
103.03916	1.7
105.07012	13.2
105.59029	1.7
107.04932	10.7
107.08585	2.1
108.04469	1.9
109.02844	10.1
110.03693	1.5
110.05997	2.2
111.04424	2.7
115.03913	61.3
115.05363	2.2
117.06981	2.8
117.79032	1.4
119.04905	3.7
119.08547	3.1
120.08092	6.8
123.04420	3.0
123.08087	2.2
125.05954	2.3
126.05495	13.5
127.03899	29.1
127.04762	3.3
131.04881	3.2
132.06551	2.0
133.04945	19.8
133.06470	3.7
139.29453	1.4
145.03838	3.3
145.04942	45.8
145.06300	3.8
146.45940	1.6
147.04338	6.3
147.08023	2.2
149.05917	1.9
150.07578	3.6
157.06413	1.7
161.05969	2.9
163.03859	5.9
163.05989	18.8
167.07034	14.4
168.07312	1.8
171.06503	2.3
172.05090	3.1
179.07001	2.3
180.08688	4.2
181.04929	34.2
182.05331	9.1
189.05363	2.5
193.04849	2.2
193.08609	2.1
201.09091	4.8
211.05861	1.9
219.10115	4.0
221.08070	4.5
222.08417	3.6
223.05989	5.7
233.08044	14.8
241.07039	5.2
243.07672	2.3
259.08127	3.6
260.10278	5.5
263.09186	1.8
273.12375	2.0
295.10220	4.7
324.56558	1.6
387.14316	2.1
404.14218	12.0
417.15421	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20748	1.8
55.01865	4.2
57.03424	23.1
59.04982	6.5
60.04472	3.1
61.02933	2.1
69.03419	88.2
69.95252	13.2
70.06557	3.5
71.04981	4.6
73.02921	2.0
73.22361	1.8
75.04472	4.0
79.05486	2.9
81.03391	6.5
81.07032	4.2
83.04964	2.4
84.04465	3.5
85.02892	83.9
86.09724	2.9
87.04449	63.9
91.05470	3.2
93.07034	4.0
95.04948	2.4
95.08592	2.9
97.02238	4.0
97.02872	79.4
99.04438	5.6
105.07025	7.3
107.08502	2.4
109.02857	5.3
111.04454	2.2
111.42244	2.0
115.03910	95.7
121.10084	2.9
127.03893	17.7
133.04942	100.0
137.05994	2.2
145.04921	27.8
147.08035	2.8
150.07605	10.8
163.05995	9.7
167.07024	4.6
169.05011	2.8
181.04929	10.0
189.09114	3.1
201.08965	2.3
233.08011	6.9
241.07198	2.3
246.34033	2.5
277.09189	3.4
287.05655	2.1
295.10101	3.2
331.03772	2.0
365.11908	2.1
412.26352	2.4
417.15274	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	434.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.7
55.05506	1.6
56.05014	2.8
57.03426	8.3
57.87891	1.6
61.02906	2.6
67.05489	3.0
69.03419	6.1
69.95811	5.8
69.96222	2.5
70.06580	6.9
71.04984	3.8
72.08147	3.7
73.02930	1.6
75.04462	5.7
77.98211	1.3
79.05484	2.7
81.03416	5.1
83.04980	2.1
84.04498	3.2
84.08148	5.9
85.02890	18.2
86.09681	3.5
89.06015	3.4
91.05468	7.1
93.07035	3.1
94.06590	1.6
95.04992	3.6
95.08610	1.7
97.02882	6.5
103.05454	30.9
103.06100	2.9
105.07024	2.1
107.04920	1.6
109.02888	5.3
110.03659	5.2
119.04932	9.4
120.08102	2.7
121.02885	4.1
121.06501	6.4
123.04406	13.2
124.05183	3.6
126.05520	1.8
127.03910	6.7
131.04909	100.0
132.05238	1.6
133.03009	1.8
133.06467	2.1
135.08049	1.5
137.05952	18.3
138.05557	3.3
138.06735	13.7
145.04930	3.7
147.04396	3.0
148.05179	12.0
149.05972	1.9
149.79277	1.8
151.07507	9.3
161.05980	4.0
163.03896	10.1
163.07520	67.9
166.06219	21.9
166.08455	1.7
166.74168	1.5
167.07095	2.7
168.06593	1.9
179.07022	5.0
181.04915	2.6
181.08580	22.6
181.09959	2.6
189.09192	1.7
219.10092	1.8
233.07904	2.2
237.11203	13.8
254.08064	3.5
255.12241	45.5
272.09149	4.4
308.84030	1.8
375.31808	1.8
404.14038	3.6
434.14783	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	434.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.3
55.01862	12.2
55.05500	29.7
57.03419	6.4
57.07056	8.2
65.03929	4.1
67.05488	39.6
67.40100	2.9
69.03408	6.0
69.07064	20.5
69.56882	9.2
69.57308	18.4
71.04971	15.5
71.08619	8.2
79.05478	67.1
81.03410	53.1
81.07045	62.5
83.04959	19.5
83.08601	17.2
84.04496	3.1
84.84180	2.9
85.02905	17.0
85.10189	8.6
91.05463	36.9
92.05807	3.7
93.07030	36.3
95.04950	89.4
95.08592	73.9
95.65146	3.5
96.08923	7.2
97.02819	3.7
97.06534	24.9
99.08074	9.4
101.02371	4.8
105.07026	38.7
106.07364	4.1
107.04941	44.2
107.08569	29.8
108.08926	6.5
109.02848	5.0
109.06490	35.5
109.10130	13.6
110.10490	5.3
111.04453	6.4
111.08041	4.4
113.09631	33.7
117.07001	12.1
119.04989	6.0
119.08569	33.6
120.08904	14.0
121.06455	7.6
121.10105	24.0
122.10435	6.1
123.04416	10.1
123.08035	6.6
125.05969	23.3
127.03906	8.5
131.08540	21.3
133.10120	24.4
134.10445	10.5
135.08038	5.2
135.11674	4.6
135.27856	3.4
137.05942	53.9
137.09549	4.1
139.07527	6.5
141.05463	12.4
141.09058	4.3
143.07053	28.1
143.08485	6.4
144.08884	5.2
145.10094	22.0
146.10431	9.5
147.11678	14.3
148.12025	6.4
149.13258	6.8
151.07507	4.9
153.05434	28.1
156.09264	5.2
157.10114	10.2
158.10384	6.5
159.11655	31.9
160.12022	6.6
161.13232	7.3
163.07523	7.4
163.14943	4.1
169.09967	5.4
171.11594	8.0
172.11987	7.3
173.13277	18.2
174.13635	6.9
175.14864	5.6
176.15134	3.7
177.12770	12.5
183.11659	6.2
184.12047	4.5
185.13222	8.0
186.13557	5.6
187.14825	9.9
188.15071	7.9
191.14304	11.5
197.13081	3.7
199.14839	14.5
200.15115	10.6
200.49562	3.6
201.12738	8.1
201.16345	9.6
202.16701	7.3
209.15288	5.3
211.14795	4.0
212.15201	5.0
214.16750	5.9
219.13751	30.6
237.14789	33.6
259.16992	4.0
266.19800	3.0
314.22495	3.4
388.30814	12.7
406.31815	5.6
413.13519	3.6
416.30359	5.3
434.31268	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	7.1
55.05488	16.4
63.00135	6.3
67.05497	19.1
69.03422	12.6
69.07053	15.6
69.56446	30.4
69.56872	18.6
70.06571	6.3
71.04969	9.0
79.05464	40.1
81.03412	14.6
81.07044	100.0
83.04975	30.4
84.04511	8.3
84.08125	8.9
84.48654	4.7
85.02892	23.4
85.06538	10.8
86.09702	13.6
91.05461	30.2
93.07029	42.2
95.04997	13.8
95.08591	54.1
97.02861	9.3
97.06542	10.2
97.10170	6.9
103.05458	9.0
105.07016	65.6
107.04929	12.5
107.08591	76.6
109.02863	6.9
109.06532	8.8
109.10152	26.3
111.04422	5.9
117.03338	6.6
117.07014	11.2
119.08561	52.7
120.08109	8.8
121.06462	7.9
121.10128	24.7
123.08041	7.5
123.11724	6.9
129.06967	8.7
129.45911	6.3
130.07799	9.6
131.08553	25.6
133.10107	36.7
135.04391	16.8
135.11670	19.3
137.05951	22.2
143.08560	9.7
145.06477	7.9
145.10092	85.7
147.04404	11.0
147.11673	17.2
149.09598	7.6
150.46175	7.5
151.03720	5.5
151.11078	6.9
157.10130	9.6
159.11673	65.5
161.13228	52.7
163.03909	63.7
163.14804	65.5
167.07059	20.2
171.11676	11.3
173.13220	12.3
175.14815	6.5
179.14343	8.9
181.04932	27.2
183.11786	6.0
185.13254	8.2
187.14778	11.6
189.16338	17.6
199.14761	8.8
201.16313	33.6
213.16393	9.3
219.17384	12.8
227.17897	7.2
233.08128	14.6
287.93591	6.0
434.31485	11.5
435.32443	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.05504	3.3
57.03396	2.1
57.07052	0.7
65.03914	1.0
67.05494	6.3
69.03381	1.3
69.07059	3.8
75.04448	0.7
77.63195	0.5
79.05480	8.0
79.19135	0.5
81.03400	1.2
81.07043	8.2
83.04983	2.8
83.08581	1.6
85.06508	0.9
91.05470	8.6
93.07020	6.9
95.04928	2.5
95.05484	0.6
95.08601	5.8
97.06485	1.8
98.98457	8.1
105.07020	8.0
106.07313	0.7
107.04903	1.6
107.08038	0.5
107.08584	5.7
109.06476	1.2
109.10122	2.8
110.78722	0.6
111.08060	0.9
117.06963	1.8
119.08561	7.5
121.06461	0.9
121.10165	3.2
123.08035	1.5
123.11681	1.4
127.03872	1.0
129.07021	3.6
131.08510	2.5
133.10110	3.1
135.04352	1.0
135.07944	1.0
135.11650	1.9
136.99922	1.0
137.05928	1.7
142.07784	0.7
143.08553	3.1
145.10104	4.0
147.08008	0.7
147.11661	4.7
149.13200	0.8
153.01756	1.7
155.01003	4.9
155.08507	0.8
156.09242	0.6
157.10085	1.8
159.08011	0.6
159.11644	2.4
161.09665	0.7
161.13258	2.9
163.03857	2.9
167.06981	1.4
169.10071	0.9
171.11684	6.9
173.13197	1.4
175.11122	0.6
175.14740	1.0
178.02538	1.5
181.04945	2.7
183.11717	1.2
185.13193	0.9
187.14810	1.3
189.12706	6.3
189.16414	0.6
199.14836	1.1
201.12752	0.7
201.16357	2.2
207.12061	0.6
207.13762	2.9
211.14838	0.7
213.16338	0.8
222.51949	0.6
229.04784	0.6
229.39513	0.6
233.08009	1.4
242.05652	4.2
242.83284	0.6
247.05711	0.6
253.05014	0.8
255.06499	6.6
256.07196	2.8
258.05164	4.9
263.16434	4.2
269.04306	1.2
270.05206	15.3
271.05573	1.5
273.03842	3.1
281.17413	7.7
284.06796	3.7
285.03888	0.8
286.04645	3.1
287.05435	8.6
299.05484	9.9
301.03357	3.7
302.04163	5.8
311.05472	1.6
312.06229	1.6
313.00229	0.6
313.03430	2.5
315.04953	71.0
316.05591	9.5
329.06589	3.0
330.07422	1.5
331.08069	100.0
332.08282	5.7
366.77762	0.6
373.09299	0.9
403.10193	6.4
404.10321	0.8
417.16229	1.7
435.12830	79.6
435.32953	4.7
436.13068	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	435.1282
Annotation	3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone
Peak:m/z	Relative Intensity
52.01536	0.5
53.03922	0.8
55.01840	0.5
55.05509	3.0
57.03395	1.7
57.07058	0.6
65.03929	0.6
67.05193	0.4
67.05487	4.7
69.03397	1.0
69.07067	2.5
71.04953	0.7
78.22939	0.5
79.05493	5.6
81.03382	1.2
81.07034	6.5
82.65511	0.4
83.04933	1.9
83.08563	1.0
85.06505	0.6
91.05460	5.7
91.84179	0.5
93.07030	5.9
95.04916	2.2
95.08601	4.9
97.06475	1.6
98.41895	0.5
98.98452	5.9
99.08071	0.5
105.06449	0.6
105.07023	6.6
105.33831	0.5
107.04916	1.1
107.08580	4.7
109.06506	1.0
109.10146	2.4
109.10811	0.5
116.99430	0.5
117.06965	1.8
119.08568	5.0
121.06438	0.9
121.10088	2.2
123.08029	1.0
123.11710	0.6
129.06982	2.5
131.08560	2.3
133.10101	2.9
135.08008	0.7
135.11646	1.8
136.99965	0.7
137.05905	1.5
137.09567	0.5
142.07791	0.5
143.08505	2.1
145.10106	3.3
147.04382	0.6
147.07996	0.7
147.11676	4.3
149.13261	0.5
153.01773	1.4
154.02509	0.8
155.01064	3.1
155.08612	0.7
156.09402	0.5
157.10085	1.8
159.11681	1.2
161.09622	0.7
161.13222	2.2
163.03893	3.0
167.06984	1.5
171.11668	4.4
173.02036	0.6
173.13208	1.2
175.14760	1.3
178.02563	0.9
179.14301	0.6
181.04918	1.9
183.11691	0.7
185.13239	1.0
187.14830	1.0
189.12729	4.1
189.16377	0.9
199.14783	1.1
201.12869	0.8
201.16348	1.1
203.14374	0.5
203.17966	0.7
207.11919	0.5
207.13780	2.2
213.16406	0.7
233.08121	0.8
242.05786	3.5
253.17950	0.6
255.06442	7.5
256.07220	2.1
258.05173	4.1
263.16299	2.7
270.05222	15.7
271.05743	0.9
273.03931	2.7
281.17435	5.6
283.06030	0.6
284.06860	3.1
285.03970	0.8
286.04578	3.3
287.05438	8.8
298.04520	0.7
299.05457	9.6
300.05966	0.8
301.03403	4.3
301.06616	0.7
302.04156	4.8
311.05392	1.9
312.06134	1.3
313.03326	2.6
315.04938	67.4
316.05606	9.2
329.06534	2.9
330.07245	2.4
331.08060	100.0
332.08344	4.4
373.09308	1.1
389.32071	0.7
403.10141	7.1
404.10553	0.6
417.15967	1.0
435.12817	71.1
435.32913	2.9
436.13135	4.7
449.06439	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1644
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03941	2.0
55.01841	1.5
55.05499	0.9
57.03416	2.2
65.03929	8.4
67.05489	3.3
69.03412	7.2
71.21869	1.5
71.22191	1.1
72.36176	0.9
73.02913	2.0
79.05480	8.0
81.03419	5.8
81.07027	1.2
82.04192	3.2
83.04967	1.8
85.02892	9.8
91.05473	6.3
93.03392	1.6
93.07014	1.1
95.04969	3.6
95.08544	1.1
95.68233	0.9
97.02885	4.4
97.06539	2.1
99.04474	1.0
105.07027	2.4
107.04931	17.0
107.08645	1.2
108.02078	2.0
109.02856	1.6
110.03651	3.8
111.04449	1.7
112.04046	1.0
115.03918	2.1
115.05453	6.1
117.06983	5.3
119.04908	1.8
119.08547	1.4
120.08126	7.5
121.06481	1.5
123.04426	3.5
124.05207	3.2
125.05968	3.6
127.03906	7.8
128.06204	2.1
129.06981	3.5
131.04912	2.6
131.08525	1.9
133.06491	2.5
135.04436	1.6
137.05981	2.2
138.03123	3.1
141.06981	2.8
142.02597	1.8
143.04895	1.3
144.05667	4.6
145.04922	2.2
145.06454	11.2
146.05916	1.1
147.04355	5.2
151.03888	1.3
151.07515	1.0
152.04683	2.6
153.05415	1.6
155.04903	1.5
155.06067	1.3
157.06461	2.8
159.04370	2.4
159.08049	3.5
161.05949	4.9
163.03888	4.1
165.05522	1.4
167.07025	50.9
171.06540	5.9
172.05190	10.6
173.05952	5.4
175.07587	2.7
177.05441	1.4
177.09114	1.4
181.04930	100.0
182.05362	1.4
185.05998	1.7
187.07530	7.9
189.05457	4.0
190.06248	2.4
191.07027	2.7
191.10669	3.4
195.06461	2.9
200.04665	4.1
201.05374	6.9
203.06996	1.8
205.08568	3.8
206.05728	2.8
213.05334	1.4
217.08539	2.1
218.05711	6.4
219.06435	1.8
219.10129	5.1
221.08002	7.9
231.06477	1.1
233.08047	64.3
234.08585	1.8
235.09521	2.0
243.07626	2.1
245.08171	3.2
247.07326	1.0
251.09140	2.9
255.06239	1.1
260.10303	7.4
263.06775	1.7
263.09164	11.8
273.12198	1.5
279.06677	1.1
291.06320	1.1
307.09561	2.3
308.09982	1.1
323.08990	1.3
324.09836	1.4
325.10638	1.3
339.12003	1.9
352.09427	1.1
355.11810	2.5
367.11780	2.5
371.14990	1.4
372.12085	1.4
381.13284	2.6
387.14236	8.2
399.14523	5.5
417.15378	32.1
435.22455	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.01854	1.7
55.05498	7.6
59.19362	1.0
65.03915	7.5
67.05491	4.5
69.03411	10.2
71.02893	3.2
71.04943	1.1
79.05481	11.7
81.03393	5.8
81.07038	3.0
82.04193	3.2
83.04967	21.8
85.02887	8.8
89.03918	7.0
91.05466	4.7
93.03403	2.2
93.07011	1.2
95.04923	5.5
95.08584	2.2
97.02882	4.0
97.06499	2.6
102.13671	1.1
103.05447	1.4
105.06997	2.3
107.04237	1.6
107.04939	22.1
109.02879	2.6
109.06467	1.1
109.10159	1.7
110.03621	4.6
111.04442	5.7
114.11578	1.0
115.05425	5.7
116.06220	1.4
117.03336	6.4
117.07000	4.8
119.04893	1.3
121.06470	2.5
123.04417	5.3
124.05196	3.3
125.05958	4.7
127.03913	5.9
128.06229	2.2
129.06996	3.5
130.58443	1.2
131.04915	1.9
131.08582	2.0
133.06508	2.7
135.04396	13.9
137.02266	1.7
137.05937	3.1
138.03062	2.9
139.07468	1.2
141.06915	2.5
142.02629	2.8
143.04863	2.0
144.05669	5.0
145.02837	9.1
145.06462	13.3
145.10077	1.5
146.07172	1.1
147.04372	2.4
147.08041	1.8
149.05952	2.1
151.03879	2.4
152.04660	3.0
153.05423	2.0
155.05983	1.8
156.05669	1.5
157.06462	4.9
159.04327	2.1
159.08018	4.1
161.05954	6.7
163.03877	77.1
164.04208	2.6
165.05476	1.3
166.02617	1.9
167.07016	50.7
171.06541	7.1
172.05148	17.2
173.06012	7.8
174.06741	1.2
175.03923	2.7
175.07452	3.6
177.05434	2.7
181.04929	100.0
185.05888	2.5
187.03824	1.3
187.07489	9.0
189.05470	4.0
190.06282	1.9
191.07016	1.8
191.10623	2.0
193.04842	1.5
195.02773	1.8
195.06509	2.7
200.04668	6.8
201.05444	7.7
202.06125	1.3
203.06952	3.1
205.08553	5.3
206.05678	3.6
207.08128	1.8
207.09927	1.6
209.08017	1.7
217.08588	3.2
218.05679	9.6
219.06433	1.9
219.10086	4.2
221.06113	1.6
221.07993	5.4
225.07202	1.3
231.06509	2.6
233.08043	83.4
235.07541	1.6
235.09616	3.5
245.08049	4.9
251.09084	3.1
255.06375	2.5
263.06891	1.9
263.09183	14.4
273.07394	3.8
279.10077	1.8
280.07281	1.9
295.09506	1.9
303.04977	1.8
305.08386	1.1
309.07513	1.2
323.09229	2.8
331.07758	1.5
339.12131	1.8
344.12491	1.5
353.09891	1.2
355.11780	2.8
367.11594	3.7
371.14960	2.2
372.11990	1.4
381.13211	3.7
387.14386	10.1
399.14413	6.3
417.09830	2.2
417.15390	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1645
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03930	3.1
55.01866	2.3
55.05509	5.0
61.69451	0.8
63.02363	1.2
63.74474	0.8
65.03931	9.0
67.05499	6.7
69.03432	5.7
69.07056	1.8
70.92379	2.8
70.92762	0.9
79.05479	8.7
81.03415	4.6
81.07045	3.8
82.04195	2.4
83.04967	9.0
83.08607	2.0
85.02903	5.5
85.06519	1.0
89.03909	1.7
91.05464	6.1
92.05823	0.9
93.03365	1.2
93.07060	3.9
95.04946	5.1
95.08608	3.3
97.02865	2.4
97.06514	3.9
100.07609	0.9
100.11235	7.2
103.05454	1.9
105.07038	5.2
106.04166	2.1
107.04943	17.8
107.08593	2.7
109.06543	1.9
109.10155	1.5
110.03654	4.0
111.04417	5.7
115.05428	5.2
116.06206	1.7
117.03381	2.2
117.06995	6.2
119.04908	1.3
119.08575	4.2
120.08846	1.9
120.74172	0.8
121.06475	2.4
121.10146	1.7
122.03599	1.3
123.00774	1.0
123.04412	4.7
124.05201	3.3
125.05963	3.0
126.89980	0.8
127.03909	5.9
128.06113	1.1
129.06985	3.7
131.04951	1.8
131.08559	3.7
133.06483	1.4
135.04416	4.2
135.08080	1.2
135.11646	1.1
137.05934	4.3
138.03117	3.2
141.06976	2.9
142.02579	2.1
143.04944	1.0
143.08557	1.8
144.05669	3.7
145.02841	2.7
145.06485	9.4
145.10129	2.6
147.04425	2.2
147.08060	2.4
147.11688	0.9
149.05981	3.4
151.07547	1.1
152.04735	1.6
153.01828	1.1
153.05457	1.6
155.07126	1.2
157.06464	2.9
157.10098	2.0
159.04437	1.2
159.08008	5.0
159.11703	2.2
160.08803	1.2
161.05907	5.0
163.03888	19.8
165.05475	1.8
167.07028	52.2
171.06494	6.2
171.11758	1.6
172.05157	10.9
173.05936	6.9
173.13185	1.2
175.03777	1.0
175.07559	2.7
177.05402	2.3
179.07043	1.4
181.04933	100.0
181.08469	2.6
182.05357	2.4
182.15395	4.1
185.05948	1.1
185.13240	2.1
187.07532	7.7
189.05446	2.3
190.06252	2.0
191.07014	1.8
191.10684	1.6
193.23486	0.9
195.06570	2.7
199.14839	1.5
200.04683	4.0
201.05403	6.1
201.16333	1.7
202.06122	1.3
203.06995	1.2
205.08612	5.6
206.05730	2.7
207.06494	1.5
209.08023	2.4
210.14883	4.8
217.08563	2.5
218.05734	6.3
219.06456	1.6
219.09995	5.1
221.08069	5.8
227.17624	1.3
233.08051	57.3
234.08514	1.8
235.07434	1.6
235.09598	2.1
245.08134	3.2
247.07507	1.2
251.09113	4.8
263.06805	1.2
263.09167	10.0
268.21484	1.4
271.47244	0.9
273.07513	1.2
279.10071	1.0
295.09756	1.1
307.09457	2.4
309.07666	1.2
324.09985	1.0
325.10422	1.0
325.28812	0.9
339.12259	2.4
353.10223	1.1
355.11526	4.6
357.13129	1.1
367.11740	2.7
384.12003	2.0
387.14365	9.5
399.14447	4.4
417.15482	25.6
418.15829	1.1
435.32938	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	7.6
55.01855	4.0
55.05501	26.8
57.03427	23.8
57.07052	4.0
65.03921	4.4
67.05495	68.1
68.01061	1.8
69.03409	6.6
69.07055	26.6
71.04975	5.0
79.05478	85.2
81.03394	12.2
81.07040	70.5
83.04551	2.4
83.04966	19.5
83.08600	13.8
85.02883	3.7
85.06525	8.0
87.04446	2.3
87.64608	1.8
91.05463	81.2
93.07027	75.1
93.07489	1.7
95.04950	21.9
95.08591	56.5
97.06504	14.7
97.10134	5.8
98.21464	4.2
98.98447	100.0
99.08063	3.4
103.05438	4.6
105.03337	1.9
105.04490	2.4
105.07011	75.7
105.07717	3.7
106.54720	1.9
107.04938	13.4
107.08576	37.9
109.02840	2.5
109.06486	13.8
109.10130	24.5
111.04396	2.3
111.08062	7.4
115.05440	4.0
116.99481	2.6
117.07001	18.5
119.08559	57.1
121.06480	7.6
121.10144	22.3
123.04408	2.3
123.08035	14.7
123.11679	8.7
125.05993	3.0
125.09587	2.8
127.07481	2.0
128.06190	4.3
129.05461	4.9
129.06978	33.5
131.08571	17.0
131.84383	1.8
133.06453	4.0
133.10100	33.1
135.04370	2.1
135.08057	6.0
135.11656	10.8
136.99951	5.8
137.05946	3.5
137.09595	5.5
141.06953	3.4
142.07771	3.7
143.08536	21.9
145.10100	26.5
147.04347	2.4
147.08028	6.5
147.10565	4.2
147.11665	54.1
149.05995	2.3
149.09576	6.0
149.13226	4.5
151.07544	1.8
153.09166	2.1
155.01016	56.5
155.08492	2.5
156.09317	3.5
157.10120	13.8
158.10796	2.3
159.07974	3.0
159.11684	14.7
161.09560	6.2
161.13220	34.4
163.03854	14.9
163.11154	6.9
163.14786	4.4
167.07037	7.1
169.10127	5.0
171.11658	72.4
172.12003	2.8
173.02057	7.6
173.09637	2.9
173.13220	11.3
175.11134	2.5
175.14839	4.5
177.12721	3.6
179.14258	4.6
181.04956	9.3
183.00552	4.0
183.11685	5.7
185.09578	2.5
185.13225	9.5
187.14783	5.4
189.12704	62.8
189.16296	5.1
190.13106	3.0
191.14224	3.1
195.11644	2.5
197.13202	5.7
199.11174	2.7
199.14777	10.5
201.12700	2.7
201.16350	6.8
203.14319	2.7
207.11848	2.9
207.13786	32.4
209.13225	4.6
211.03627	7.4
211.14767	4.3
213.16292	9.7
215.18077	2.8
225.14719	3.9
229.04733	4.8
229.28351	2.1
233.08032	6.8
239.17841	2.7
241.19395	2.4
253.17700	9.5
263.16406	38.7
264.16486	2.4
265.19540	2.4
281.17413	93.0
282.17575	3.4
299.05356	2.4
315.04971	12.2
331.08130	19.6
389.31912	4.8
399.32391	3.7
407.32971	2.6
417.16782	17.4
435.12762	19.4
435.32809	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.8
53.03936	6.2
55.01862	6.7
55.05507	19.4
57.03431	27.1
65.03934	4.4
67.05497	57.2
69.03410	2.2
69.07056	17.4
71.04965	3.0
71.31911	2.2
71.32230	3.1
77.03939	1.8
79.05485	79.3
81.03419	9.0
81.07043	51.8
83.04966	20.5
83.08604	9.5
85.06533	2.6
86.39999	1.8
91.05468	69.7
91.06041	3.8
93.07030	60.2
95.04963	24.1
95.08594	34.8
97.06516	11.5
97.10164	4.7
98.98459	100.0
99.08078	1.9
103.05461	3.7
105.07017	55.5
107.04964	12.0
107.08579	27.6
109.02907	1.8
109.06508	8.7
109.10136	7.4
111.04407	1.9
111.08057	5.3
115.05379	3.0
116.99480	3.5
117.07037	13.2
119.08564	32.7
121.06508	5.8
121.10107	11.4
123.08080	9.5
123.11655	2.3
125.06037	2.2
126.07294	1.7
128.06195	4.7
128.57927	1.7
129.05493	2.6
129.06996	32.5
131.08545	7.7
133.10124	20.5
135.08060	4.4
135.11661	4.8
136.99960	12.2
137.05992	2.8
137.09608	3.4
141.07059	2.0
143.08527	15.2
145.10124	17.1
147.08014	5.1
147.11673	47.7
147.12859	2.8
155.01027	56.6
155.08411	1.9
156.09306	1.9
157.10106	2.0
159.11633	4.8
161.09583	7.2
161.13232	30.1
163.03969	9.9
163.11154	5.2
163.15039	1.9
167.07101	3.4
169.10019	2.3
171.11668	68.8
172.12074	2.1
173.02094	9.4
173.13289	5.2
179.14285	4.5
181.04951	4.2
183.00529	5.0
183.11533	2.4
187.14793	2.9
189.12733	62.4
189.16330	2.0
190.13098	2.1
201.16341	2.0
207.13777	37.6
211.03784	2.8
213.16457	2.6
225.14833	4.9
229.04601	4.4
233.08133	3.0
247.05753	3.9
253.18022	11.9
255.86440	2.1
263.16400	39.8
281.17444	98.7
282.17850	3.0
299.05569	1.9
315.05005	9.4
331.08035	12.2
380.03195	1.9
417.16714	17.7
435.12656	9.2
435.32639	4.2
456.68930	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2734
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03942	4.6
53.97618	0.7
55.01856	2.6
55.05502	14.8
56.96593	0.8
57.03426	3.2
57.07056	2.1
59.04990	4.5
61.98194	0.7
62.70161	0.7
65.03929	3.2
65.41866	0.6
66.83230	0.8
67.05493	100.0
68.05824	1.3
69.03412	1.9
69.07053	8.0
70.38901	0.6
71.04977	3.2
71.71277	1.0
77.03920	0.8
79.05479	34.6
81.03413	6.1
81.07041	35.3
83.04962	6.8
83.08601	7.1
85.02883	1.0
85.06528	2.5
91.05465	32.2
93.07026	29.6
95.04950	13.7
95.08587	18.2
97.02856	0.7
97.06512	2.3
97.10160	2.4
97.71721	0.7
102.40134	0.8
105.04533	0.9
105.06329	1.6
105.07012	24.0
107.04919	3.9
107.08568	13.5
109.06499	3.5
109.10136	52.3
110.10497	1.5
111.08041	2.8
115.05468	0.9
117.06982	4.2
119.08554	21.5
120.08953	0.9
121.06443	1.9
121.10120	5.2
123.08047	3.3
127.07556	1.3
128.06238	1.2
129.06963	9.1
131.08553	2.7
133.10100	7.7
135.11697	3.2
137.09567	3.6
143.08571	4.9
145.10100	8.9
147.08017	1.7
147.11664	19.0
148.12029	0.9
155.10638	2.1
157.10112	2.3
158.10555	0.8
159.11710	4.5
161.09579	2.2
161.13222	7.7
163.03946	0.9
165.09047	0.8
169.10126	1.2
171.11673	13.6
173.11716	13.7
173.13196	1.7
175.14816	1.2
183.11530	1.2
185.13324	1.6
187.14796	2.0
189.12683	5.7
189.16365	2.0
199.14728	0.8
201.16344	2.1
202.16811	0.7
207.13774	15.1
215.17911	1.0
225.14761	1.4
241.19374	0.9
287.03705	0.7
317.09631	0.8
322.11514	1.0
322.61722	0.8
343.22708	1.1
389.31625	1.5
435.27261	36.4
435.32227	5.1
436.27716	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	435.2738
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03938	3.1
54.69844	0.7
55.01863	1.6
55.05505	14.5
57.03431	2.8
57.07063	1.1
59.04998	3.5
63.98316	0.6
65.03941	3.0
67.05499	100.0
68.05840	2.2
69.03420	1.0
69.07066	6.5
71.04985	3.7
75.30500	0.7
79.05488	33.8
80.05796	0.7
81.03402	5.6
81.07049	30.7
83.04977	5.9
83.08611	7.6
85.06537	2.4
89.27811	0.8
91.05471	31.0
93.07034	28.1
95.04963	11.2
95.08596	16.5
97.02905	0.8
97.06544	3.1
97.10159	1.1
105.07017	19.5
107.04955	4.4
107.08581	12.5
109.06519	3.4
109.10146	55.0
110.10493	1.3
111.08090	2.7
115.05445	0.7
117.07001	4.5
119.08570	18.9
121.06496	1.5
121.10123	3.7
123.08082	2.6
127.07518	0.9
128.06218	1.2
129.07001	8.3
130.07790	1.2
131.08540	3.3
133.10107	7.4
135.08044	1.1
135.11722	2.0
137.09633	2.2
141.09158	0.7
143.08565	4.9
145.10095	5.7
147.08028	1.4
147.11673	19.2
155.10666	3.3
157.10118	2.4
159.11708	3.6
161.09662	2.1
161.13219	5.6
171.11674	13.3
171.13051	1.2
172.12273	0.9
173.11739	12.5
173.13239	1.7
175.14822	1.0
187.14850	1.9
189.12730	5.7
189.16393	2.0
199.14740	1.4
201.16351	3.4
203.17987	0.7
207.11917	0.5
207.13783	14.3
211.13303	1.1
213.16393	1.7
215.17999	1.1
225.14861	2.2
263.16464	0.7
281.17346	1.0
389.31943	2.2
435.27396	36.5
435.32608	4.4
436.27551	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	435.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.3
57.03434	4.6
57.07060	5.0
59.06470	0.8
67.05492	2.9
69.07050	1.9
71.08610	5.4
79.05464	0.9
81.07043	3.7
83.08613	1.3
85.10171	2.3
88.36976	0.8
93.07029	1.1
95.08587	3.1
97.62330	0.7
98.21452	1.9
109.06508	1.8
109.10138	2.7
112.99995	90.9
120.10651	0.8
123.08030	0.9
137.18295	1.0
154.02602	1.3
169.02583	100.0
178.52924	0.8
197.16522	1.8
447.56204	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3251
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03939	2.6
55.01869	2.5
55.05505	15.6
56.96552	4.7
57.03428	2.4
57.07058	4.0
57.54250	1.1
61.02916	2.0
64.62082	1.0
65.03930	3.4
67.05496	47.9
68.12833	1.2
69.03406	2.5
69.07053	17.8
71.04987	3.2
79.05476	24.9
79.74903	1.2
81.03416	3.8
81.07044	44.4
83.04962	7.8
83.08606	9.8
85.02889	3.9
85.06531	2.3
91.05466	30.0
93.07033	42.2
94.07363	1.9
95.04961	9.7
95.08591	58.4
97.02906	2.8
97.06527	4.4
97.10149	4.5
98.97574	1.5
100.88367	1.1
103.05463	1.8
105.04553	1.2
105.07014	44.9
107.04953	2.5
107.08579	55.8
109.02763	1.6
109.06496	5.6
109.10139	33.8
111.04406	1.6
111.08069	3.3
115.05482	1.8
117.06999	13.5
119.08566	67.6
120.08905	2.8
121.06480	2.9
121.10130	38.0
121.10976	2.6
123.08046	3.6
123.11694	12.1
125.05978	1.6
128.06207	3.4
129.06992	8.3
130.07741	3.5
131.08562	24.1
132.08884	1.9
133.06511	1.6
133.10107	42.0
134.10408	2.6
135.04427	1.6
135.08038	2.9
135.11667	19.6
137.05974	2.8
137.09641	1.6
137.13258	4.9
139.07564	2.0
139.11186	1.4
141.07008	3.2
142.07764	4.1
143.08553	17.0
144.09334	3.5
145.06502	1.4
145.10101	48.8
146.10576	1.6
147.08064	2.6
147.11653	27.1
148.12007	1.2
149.05954	2.1
149.09573	2.8
149.13229	14.7
151.03897	1.6
151.07555	5.3
151.11171	1.3
153.09087	2.0
155.08560	6.1
156.09375	6.3
157.10110	22.5
158.10855	3.4
159.11676	41.9
159.12955	2.2
160.12088	1.7
161.09596	2.0
161.13240	16.3
163.03885	10.4
163.07562	4.2
163.11183	2.6
163.14839	6.5
165.09109	2.3
165.12778	1.5
169.10109	8.1
170.10867	5.7
171.11679	23.2
172.12363	3.5
173.11746	3.7
173.13188	21.0
175.11247	2.6
175.14795	20.7
176.15274	1.4
177.12750	1.5
177.16368	16.1
179.10698	1.5
180.09401	1.4
181.05005	1.5
181.10089	3.6
181.12267	2.0
183.11687	6.5
184.12474	2.5
185.09679	2.0
185.13234	20.6
186.13937	3.6
187.13106	2.3
187.14784	34.2
188.15192	2.0
189.12787	3.5
189.16382	24.9
191.14294	1.4
191.17935	4.0
193.12314	1.9
195.11722	2.7
196.12421	1.4
197.13258	9.4
198.13934	2.7
199.14792	21.2
200.15160	1.7
201.16367	47.3
202.16722	2.6
203.14223	1.3
203.17943	14.7
205.12195	1.5
205.19472	2.1
207.13725	3.3
209.13203	3.5
211.14835	9.4
213.16357	23.6
214.16713	1.6
215.14359	3.1
215.17921	11.5
217.15927	2.2
217.19603	1.5
219.13812	1.9
221.13287	1.5
223.14772	2.6
224.15405	1.7
225.16399	3.7
227.17897	6.2
229.15842	2.6
229.19473	1.6
231.13849	1.2
231.17580	2.0
233.15442	2.9
235.14905	1.4
237.16423	3.4
238.70195	1.3
239.17987	4.1
241.19475	3.6
243.08856	2.3
243.21130	2.4
245.15428	3.0
246.48540	1.3
247.16847	6.2
251.17955	2.6
253.19505	3.0
255.20987	2.1
257.15326	8.6
259.17032	2.8
261.18539	2.9
265.19479	2.8
267.09122	3.0
267.18076	1.3
267.20981	2.9
269.22708	1.6
273.18350	1.6
281.10669	4.3
281.17563	1.5
281.22693	1.9
285.10165	5.1
287.20331	1.4
293.22601	4.5
295.24338	2.2
297.18307	1.5
299.11676	2.6
299.20200	2.5
305.22638	1.4
313.21561	1.6
314.63324	1.8
315.36758	1.2
319.24118	3.3
322.11832	4.6
324.11310	6.7
325.21585	3.1
327.23325	2.8
333.25275	1.5
341.24789	2.1
343.22681	3.8
347.27328	1.5
351.23154	1.3
353.24722	1.8
379.26187	1.6
389.31998	19.5
390.32312	2.2
391.33472	1.4
393.27621	2.4
394.03931	1.5
407.32986	2.8
417.26306	4.0
417.31894	4.2
427.23819	1.4
435.27698	9.7
435.32617	100.0
436.33020	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	435.3251
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03954	1.8
55.05497	8.8
57.03413	0.9
57.07054	2.4
65.03921	1.8
67.05499	23.5
69.07058	11.9
69.61772	6.8
71.04974	0.9
73.02922	0.8
74.27417	0.8
78.31676	0.7
79.05478	14.8
81.03403	0.9
81.07046	22.0
83.04963	1.0
83.08605	5.3
85.72668	0.7
91.05464	17.8
92.87606	0.8
93.07033	22.7
95.04966	3.3
95.08595	29.3
97.06509	1.2
97.10161	2.1
99.08133	1.1
103.05466	1.4
105.07015	28.5
107.04929	1.5
107.08579	24.6
109.06506	3.5
109.10143	20.7
111.08108	1.1
115.05440	1.3
117.06992	6.6
117.53944	0.8
119.08566	79.2
119.14748	0.9
120.08817	1.1
121.10123	19.7
122.10488	0.9
123.08094	1.5
123.11669	5.8
125.09608	1.2
127.07650	0.9
128.06215	1.8
129.06987	5.0
130.07813	1.1
131.08553	15.9
133.10112	34.0
135.08069	1.1
135.11678	9.0
137.09639	0.9
137.13257	2.2
139.03926	0.7
142.07745	2.8
143.08537	9.1
144.09308	3.8
145.10106	47.6
146.10437	1.1
147.08028	1.0
147.11667	21.5
149.13246	5.4
151.07558	1.8
151.14876	1.0
153.09079	2.9
155.08556	3.2
156.09337	4.8
157.10106	16.0
158.10809	2.8
159.11671	51.2
160.12077	2.6
161.13237	15.1
163.07559	2.6
163.11211	1.3
163.14868	5.3
165.07088	0.9
169.10045	4.3
170.10843	3.7
171.11656	19.9
172.12408	2.2
173.09619	1.2
173.11723	1.8
173.13210	18.3
175.11227	0.9
175.14806	16.6
176.15106	0.8
176.76892	0.7
177.12781	1.7
177.16362	6.0
179.10742	1.4
181.10072	2.0
183.11674	4.9
184.12431	1.7
185.13239	17.2
185.14764	1.3
186.13942	1.2
187.14803	37.0
188.15154	1.8
189.12726	1.8
189.16359	39.2
190.16707	1.2
191.17915	1.7
195.11714	2.5
196.12418	2.1
197.13217	4.9
198.14027	1.2
199.14816	15.2
200.15166	1.0
201.16371	34.1
202.16693	1.4
203.17900	7.4
205.15839	3.8
207.11824	1.1
207.13797	2.8
209.13356	2.0
209.15297	1.5
211.14810	4.4
213.16353	28.9
215.14372	2.1
215.17914	9.0
216.18019	0.8
217.12187	0.8
217.15883	1.6
217.19646	1.1
223.14816	2.2
225.16393	2.9
227.17905	11.5
229.15935	1.2
229.19557	3.1
233.15437	2.2
235.14728	1.2
237.16354	1.9
239.17969	3.2
241.19440	5.0
243.21164	0.8
245.15318	1.2
247.16919	4.8
251.17973	1.1
253.19466	5.3
257.22641	1.0
265.19513	1.9
267.21091	3.3
281.10580	1.2
281.22552	1.3
293.22656	1.1
305.22614	1.6
307.24628	1.0
309.18335	1.0
313.21628	1.0
319.24338	1.4
322.62067	1.5
325.21695	1.1
325.88235	1.0
343.22397	1.2
347.27356	1.4
353.24579	1.1
365.24930	1.1
379.25909	1.3
389.32053	12.6
391.33911	1.4
392.27191	1.1
393.27750	1.2
407.33182	2.9
417.26599	1.0
417.31604	2.8
435.27805	5.5
435.32581	100.0
436.27756	1.3
436.32809	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	435.3252
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03931	3.0
55.05500	11.1
57.07061	1.9
59.72139	1.3
67.05495	27.2
69.07055	14.4
70.16637	8.0
74.10313	1.5
79.05482	13.4
79.66461	1.8
81.07041	23.3
83.08611	10.3
91.05460	18.9
93.07035	23.9
95.04960	5.3
95.08588	36.2
97.10128	1.7
105.07008	32.3
107.05000	1.9
107.08575	32.9
109.06510	3.4
109.10143	21.4
111.08071	1.5
115.05391	1.8
117.06994	5.1
119.08562	61.7
120.08911	1.9
121.10131	20.8
123.08056	1.9
123.11658	8.9
128.06163	1.8
129.07002	5.3
130.07819	2.9
131.08542	18.5
133.10107	40.4
135.11691	10.9
137.13214	3.3
142.07738	1.6
143.08530	11.1
144.09309	4.8
145.10107	47.2
146.10635	2.1
147.11661	21.5
149.13240	9.2
155.08528	2.7
156.09305	4.5
157.10127	18.7
158.10847	3.3
159.11668	38.8
161.09630	2.1
161.13252	17.6
163.07532	2.8
163.11145	2.0
163.14809	7.0
167.08640	1.7
169.10095	5.4
170.10902	2.8
171.11661	15.2
173.09749	2.3
173.13231	18.5
175.14798	28.6
177.09132	2.5
177.16385	7.3
181.10115	2.0
183.11687	6.2
184.12454	2.7
185.13231	10.5
186.14003	3.0
187.14813	22.8
189.16364	40.8
190.16679	2.5
191.17929	2.8
197.13260	6.3
199.14764	20.7
201.16353	67.5
202.16696	2.1
203.17943	15.0
207.13782	2.6
209.13222	2.8
211.14828	6.0
212.89719	1.7
213.16373	24.0
215.17877	16.8
217.19493	2.0
221.15396	2.8
223.14841	2.2
225.16331	4.3
227.17995	6.6
229.19456	5.2
237.16234	2.2
239.17888	3.9
241.19554	5.8
245.15498	3.1
247.16835	9.4
249.16521	2.2
251.17848	2.7
253.19493	3.0
259.17001	4.9
263.17947	2.1
265.19479	3.6
267.21127	4.8
279.21100	2.1
281.22528	2.4
285.18289	1.9
290.72455	1.5
293.22528	2.5
295.24200	1.9
299.20023	2.7
313.21555	1.8
319.24124	4.0
333.25720	2.6
343.22787	2.1
347.27454	2.6
351.23199	1.8
365.24615	1.5
379.26315	3.8
389.31934	19.8
390.32629	2.0
391.33969	1.9
392.27057	2.1
393.27805	3.5
407.32959	2.0
435.27728	5.0
435.32532	100.0
436.32776	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	435.3252
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03940	3.7
55.05500	14.1
57.03435	1.3
57.07060	4.1
62.27687	1.3
62.38319	1.2
65.03936	1.9
65.66685	1.2
67.05490	21.5
69.03419	2.2
69.07061	15.3
70.06577	2.2
70.99090	3.2
70.99465	2.4
71.04987	1.7
77.19544	1.5
79.05484	15.1
81.03426	1.7
81.07042	35.2
83.04967	5.8
83.08591	9.2
85.02909	2.3
89.03914	1.3
91.05463	15.5
93.07026	29.7
93.07578	2.0
95.04966	5.2
95.08588	44.5
97.06522	2.3
97.10216	2.1
105.07012	34.6
106.07380	1.7
107.04974	1.5
107.08576	39.0
109.02874	3.2
109.06506	6.5
109.10136	24.6
110.37901	1.3
111.08082	2.6
115.05451	1.6
117.07002	8.5
119.08559	53.0
121.06502	2.2
121.10104	23.7
121.10822	1.7
123.04421	1.9
123.08051	2.3
123.11684	13.7
125.05923	2.2
125.09702	2.1
127.03897	1.7
128.06218	3.1
129.07016	4.7
130.07718	1.9
131.08554	22.3
133.10100	27.6
135.04408	1.9
135.08075	2.6
135.11661	19.0
137.05951	3.0
137.13245	4.8
141.07040	2.0
142.07750	3.5
143.08514	12.7
144.09360	3.6
145.02780	1.5
145.10097	37.2
145.11205	1.9
146.10712	1.1
147.08018	1.6
147.11647	20.2
149.06033	1.4
149.09607	2.2
149.13231	12.7
150.66187	1.4
151.07561	2.4
155.08571	4.0
156.09358	5.2
157.06537	1.6
157.10089	17.9
158.10844	1.4
159.08020	1.5
159.11674	30.7
159.12935	2.0
161.09651	2.5
161.13231	13.6
163.03871	9.2
163.07536	2.7
163.11197	2.6
163.14825	4.7
169.10101	7.0
170.10924	3.1
171.11659	15.4
172.12292	1.6
173.13231	15.7
175.14793	17.9
177.08992	1.9
177.12831	1.5
177.16426	6.4
179.10713	1.5
181.04947	3.1
181.10184	2.4
181.12177	1.4
182.10898	1.4
183.11678	8.7
184.12483	2.2
185.13231	14.3
187.11241	2.0
187.14777	15.2
189.12726	2.7
189.16328	21.5
191.10608	1.9
191.17967	4.3
193.12265	2.0
195.11777	3.3
197.13261	6.5
199.14761	16.5
199.16454	1.4
201.16354	31.1
203.17923	8.9
205.12190	1.4
207.11853	1.7
209.13268	4.2
211.14706	7.5
213.16313	14.2
215.14380	1.9
215.17953	8.4
217.12228	1.6
217.15939	2.1
217.19533	2.2
219.11877	1.4
219.13905	2.4
221.13409	2.2
223.14867	2.3
225.16411	4.4
227.17960	6.5
229.19516	3.0
231.13736	1.7
233.15240	2.5
235.14844	2.9
237.16409	4.5
239.18002	3.6
241.19618	4.9
243.21045	1.5
245.15384	3.9
247.17046	3.3
249.16335	1.9
251.17928	2.4
253.19501	4.0
255.21043	1.8
259.16901	3.1
263.17929	1.9
265.19531	3.6
267.21057	5.7
271.16885	2.3
273.18466	2.0
279.21036	2.1
281.22638	2.8
285.18478	1.9
291.21048	1.5
293.22702	3.5
295.24265	3.7
299.20197	4.1
307.24286	1.8
311.20172	1.8
313.21719	1.9
319.24277	2.1
325.21753	1.9
327.22864	1.6
333.25955	1.5
347.27408	2.9
351.22772	1.7
353.24695	1.9
365.24463	1.7
379.26328	3.4
389.32019	19.2
391.33337	3.6
399.32388	1.5
407.33206	2.0
417.32736	2.3
435.32648	100.0
436.32932	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	436.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	9.2
55.01853	8.9
55.05493	8.9
55.05737	2.4
57.03418	5.9
61.02893	4.4
65.03911	2.2
65.83353	2.6
67.05476	7.4
68.99768	4.5
69.03425	23.8
69.07060	5.0
70.06544	2.2
71.04970	4.8
71.69814	3.6
73.02901	4.6
79.05492	20.0
81.03410	23.0
81.07037	18.9
83.08601	3.1
83.33042	2.3
85.02888	53.3
87.00822	22.6
87.04445	3.4
91.05462	35.2
93.07033	94.0
95.04934	10.6
95.08582	16.2
97.02879	27.6
97.06496	4.3
98.98452	4.2
99.04420	10.4
102.25515	2.3
102.32948	2.4
105.01849	29.0
105.07042	12.4
107.04955	3.6
107.08582	100.0
109.02864	15.8
109.06503	6.3
109.10122	5.1
117.06994	3.3
119.08554	7.6
121.10126	6.5
123.08053	2.7
127.03039	2.5
127.03902	33.9
129.01833	3.0
131.08592	2.4
133.10100	4.2
135.10640	4.3
135.11673	71.3
137.13196	4.1
139.07520	3.1
143.08499	3.4
145.04939	22.9
145.10051	6.2
147.04344	2.8
147.11746	3.9
149.09633	2.5
153.12733	14.0
159.02866	9.9
159.11633	2.8
161.05984	2.8
163.03807	2.7
163.11137	4.4
213.03844	3.7
227.12703	4.4
231.05035	6.4
233.08052	2.5
239.16399	6.4
283.15237	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	436.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.7
54.97168	1.7
55.01852	8.8
55.05487	5.8
57.03406	5.9
57.07077	1.8
61.02900	3.9
62.21040	1.8
65.03905	3.0
67.05485	7.4
68.99777	1.7
69.03419	22.7
69.07045	5.9
70.06584	2.1
71.04975	4.3
71.71089	3.0
73.02892	5.0
77.03899	2.0
79.05486	17.3
81.03407	25.0
81.07046	13.4
83.01311	2.7
83.04958	5.6
83.18494	1.8
85.02894	56.7
86.09697	2.0
87.00819	19.6
87.04475	1.7
91.05460	23.3
93.07028	86.5
95.04935	8.5
95.08591	13.8
97.02870	25.0
97.06511	7.4
99.04453	10.5
105.01852	23.2
105.04500	1.9
105.07001	12.4
107.04938	4.2
107.08577	100.0
109.02855	21.4
109.06544	3.7
109.10168	9.0
111.08060	1.7
115.03887	2.7
117.01817	3.4
117.06937	2.0
119.06031	2.2
119.08526	6.8
120.08117	3.3
121.06503	2.4
121.10095	4.9
127.03900	43.1
128.06084	2.8
129.01805	3.0
131.08539	2.6
133.10069	3.2
135.08002	2.6
135.11670	52.5
137.06023	2.3
137.13252	2.8
143.08540	1.9
145.04947	21.7
145.10107	3.3
147.04359	3.8
147.11684	3.8
153.12717	5.0
159.02861	16.1
159.11696	3.3
163.03920	2.1
167.07083	3.6
181.04951	2.5
182.05202	2.1
200.92307	1.8
211.13271	2.2
222.65318	2.1
231.04932	9.9
261.14764	2.5
283.15524	2.3
287.06161	1.9
323.17245	1.8
324.21637	2.0
324.33279	2.0
345.12759	2.4
436.07556	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62095	0.5
53.03922	1.1
55.01852	1.3
55.05489	3.8
57.03403	0.9
57.07066	6.6
58.06572	1.9
59.04993	1.4
65.03909	0.8
65.21460	0.7
67.05494	17.7
68.05818	1.9
69.07024	2.2
70.06213	1.0
70.06581	18.0
70.89404	2.1
71.08611	3.2
72.08136	1.0
79.05493	5.2
80.05822	1.0
81.03391	1.5
81.07050	6.5
83.04948	1.7
83.08590	2.5
85.06518	0.9
85.10159	0.9
88.07617	21.9
91.05486	4.9
92.05802	1.0
93.07040	5.5
94.07347	1.3
95.04948	3.0
95.08582	4.0
96.05284	1.1
102.09162	18.7
103.01777	2.1
105.07003	3.7
106.07343	0.8
107.04911	1.1
107.08585	3.3
109.10132	10.2
110.10451	2.3
111.04413	1.4
117.06986	1.1
119.08575	3.3
120.08876	0.8
121.06487	0.9
121.10112	2.2
122.06811	0.8
129.06941	0.9
131.08546	1.3
133.10106	1.6
135.04398	6.3
135.11670	1.1
136.53232	0.7
143.08485	0.8
145.10101	1.8
146.10471	1.1
147.11710	1.6
148.12010	0.8
153.05431	3.1
158.10445	0.8
161.13229	0.8
163.03874	93.3
163.04987	5.2
163.11169	1.8
164.04176	1.3
171.11687	0.8
172.12006	0.8
173.11690	2.5
191.06964	0.9
201.16522	0.8
207.06496	95.2
208.06828	1.2
256.26312	62.7
257.26666	1.2
261.15939	0.7
279.65814	0.7
344.23004	1.5
436.30554	100.0
437.25180	3.3
437.30884	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	437.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.0
53.70136	0.7
55.01860	7.6
55.05237	1.0
55.05502	18.9
57.03429	5.0
57.07056	2.9
59.04992	6.6
65.03923	2.1
66.70632	0.8
67.05493	100.0
67.10081	0.8
68.05811	2.0
69.03426	2.0
69.07055	7.0
70.43378	2.9
70.52242	0.8
71.01364	1.0
71.04973	7.0
77.04661	0.9
79.05486	17.4
80.04703	0.8
81.03416	8.4
81.07042	28.9
82.07388	0.9
83.01335	5.8
83.04964	10.0
83.08613	11.5
83.92320	0.8
85.02885	2.6
85.06519	3.3
91.04916	1.6
91.05463	21.0
93.07029	24.0
95.04951	6.9
95.08589	15.9
97.02866	1.7
97.06501	5.2
97.10126	1.8
98.91808	0.9
99.04438	1.3
101.63459	0.8
103.05424	1.0
105.07024	12.5
107.04926	6.2
107.08574	14.7
109.06529	5.6
109.10139	74.4
110.10458	1.4
111.04408	2.4
111.08057	3.5
117.07003	6.5
119.08556	17.6
120.47060	0.8
121.06482	3.1
121.10117	9.3
123.08050	5.7
123.11697	1.8
125.05979	0.9
125.09592	1.6
129.07013	1.2
130.07739	1.3
131.08537	5.0
133.10121	6.2
135.07986	2.3
135.11676	10.3
137.09608	4.7
139.07584	1.7
143.08562	2.3
145.06487	0.9
145.10097	14.1
147.07979	2.4
147.11678	4.6
149.09595	1.2
149.13240	1.9
153.12695	3.5
155.08540	2.0
155.10638	3.2
157.10103	3.4
159.11673	3.8
161.13234	2.4
163.11156	20.4
163.14888	1.1
165.09093	1.7
169.10133	1.6
171.11708	2.6
173.09639	2.5
173.11737	24.4
173.13237	2.8
174.12103	1.1
175.11153	1.1
175.14828	2.2
177.16397	0.9
181.12151	4.9
185.13228	2.0
187.14798	1.8
189.16388	2.8
191.10660	2.4
191.14249	0.9
199.14848	1.1
201.16351	3.1
209.11630	4.6
213.16478	1.6
215.03325	0.9
221.13145	0.9
227.12714	6.4
391.29584	1.5
410.86551	0.9
412.81693	0.9
419.29291	2.0
437.25229	46.2
437.30350	4.5
437.34692	2.0
438.25174	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	437.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01863	5.7
55.05505	19.6
56.96569	1.0
57.03431	5.0
57.07072	1.6
59.04994	5.6
61.90060	0.6
65.03928	3.6
67.05495	100.0
68.05822	1.3
69.03425	2.2
69.07058	6.6
70.01987	4.1
71.01343	1.4
71.04980	5.9
77.48091	0.7
79.05480	20.0
81.03411	8.8
81.07044	31.4
83.01334	4.7
83.04967	9.2
83.08606	11.9
85.02894	3.9
85.06532	3.0
87.04472	0.7
87.81669	0.6
88.07628	0.9
91.05469	19.4
91.06034	1.2
93.07028	22.4
95.04944	6.6
95.08588	17.1
97.02883	2.8
97.06502	4.3
97.10166	2.0
99.04456	2.2
99.08108	2.0
101.06064	0.7
105.07013	13.5
105.07717	0.9
107.04924	6.7
107.08580	17.0
109.02881	1.1
109.06489	4.9
109.10139	62.5
110.10479	1.2
111.04438	2.8
111.08062	6.0
111.11728	0.9
115.05476	1.0
117.07005	5.3
119.08567	15.8
120.08956	0.8
121.06501	2.6
121.10121	10.0
123.08049	5.6
123.11696	1.4
125.05995	1.6
125.09627	2.2
128.06187	1.0
129.06998	2.6
130.07784	0.9
131.08554	6.3
133.10114	5.0
135.08067	1.9
135.11679	13.4
137.05995	1.1
137.09601	4.4
139.07507	0.9
143.08527	3.7
145.06570	1.1
145.10097	17.9
147.08063	1.5
147.11691	4.0
149.02307	0.9
149.09566	1.3
149.13237	1.2
151.11185	0.8
153.12732	3.4
155.08562	1.8
155.10632	3.9
157.10101	3.9
159.11673	4.7
161.09674	0.7
161.13283	2.5
163.11159	25.1
165.09184	1.2
169.10133	2.0
171.11678	2.6
173.09575	2.6
173.11739	19.0
173.13243	2.9
175.11169	1.4
175.14842	1.8
177.12688	1.1
180.48238	0.8
181.12195	3.6
183.11716	2.0
185.13280	2.1
187.11205	0.9
187.14851	2.9
189.16312	1.7
191.10649	1.4
193.04944	0.7
193.12283	0.9
195.11685	1.1
197.13306	1.1
199.11110	0.9
199.14828	1.7
201.16370	1.9
203.14233	0.8
203.17998	0.8
205.16010	1.0
209.11624	4.9
211.14845	0.8
213.16354	1.0
215.17960	0.7
222.97470	0.7
227.12746	12.8
227.14775	1.1
227.17896	0.8
228.23183	1.4
247.20390	0.8
253.19482	0.7
257.18985	0.8
275.19983	1.3
299.20074	1.0
391.29596	1.4
419.29413	1.4
437.25278	41.5
437.30545	5.2
438.25162	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
53.74023	1.2
55.05505	10.6
57.03430	1.3
57.07050	4.5
59.10136	1.3
65.03921	2.6
67.05491	18.6
69.03401	4.3
69.07065	15.9
71.70871	1.2
71.71268	1.3
79.05485	18.0
79.86732	1.3
81.03381	2.3
81.07045	33.0
83.04971	2.6
83.08592	5.2
85.02894	3.5
85.06541	2.2
91.05468	22.5
93.07035	30.8
95.04948	5.9
95.08596	48.9
97.02879	1.5
97.06509	4.9
97.10169	2.6
99.08071	5.7
103.05406	2.2
105.07021	49.2
106.07367	3.0
107.04944	1.8
107.08582	52.4
109.06493	5.2
109.10141	29.0
111.08073	3.5
115.05433	2.2
116.06171	1.4
117.07003	11.9
119.08566	92.2
120.08865	1.5
121.06502	11.3
121.10125	32.5
122.10470	1.6
123.08035	4.5
123.11657	6.6
125.09585	2.4
128.06238	3.1
129.06967	9.3
130.07797	2.5
131.08548	39.0
133.10118	41.9
135.08031	16.5
135.11668	15.0
137.09608	5.2
137.13269	2.2
141.06943	3.2
142.07732	4.3
143.08522	22.6
144.09291	5.2
145.06438	1.9
145.10109	67.4
146.10416	1.8
147.08069	11.9
147.11676	25.6
149.09579	6.7
149.13243	13.3
151.07495	2.0
151.11145	2.3
153.09122	2.2
155.08519	5.4
155.14340	2.5
156.09328	8.3
157.10117	23.1
158.10857	4.8
159.08076	3.5
159.11670	41.3
160.08766	1.9
161.09607	19.1
161.13231	26.4
163.11218	6.3
163.14793	19.2
165.12750	1.7
167.08578	1.7
169.08850	1.4
169.10069	6.4
170.10870	5.4
171.08023	2.4
171.11649	20.7
172.12312	2.3
173.09601	5.5
173.13235	42.5
174.10324	1.5
174.13609	1.9
175.11118	5.2
175.14809	30.6
177.12769	6.6
177.16338	10.4
179.14270	3.0
181.10098	3.2
182.10966	2.3
183.11668	10.9
184.12317	2.5
185.09641	2.6
185.13234	24.2
186.13661	1.4
187.11208	4.1
187.14795	62.0
188.15117	2.1
189.12756	23.6
189.16373	21.0
191.14287	21.0
191.17957	3.2
192.14627	1.6
195.11632	4.9
197.13193	10.0
199.11150	4.7
199.14810	27.4
201.12711	5.9
201.16360	44.3
203.10524	1.6
203.14285	12.4
203.17935	18.4
205.12239	1.6
205.15823	4.1
207.10078	1.6
207.11833	1.8
207.17322	1.6
209.13222	5.9
211.14845	6.8
213.12727	11.5
213.16261	11.0
214.13075	1.3
215.14288	21.8
215.17953	5.5
217.12158	3.8
217.15840	8.6
219.17389	2.7
221.13225	2.0
223.14836	2.5
225.16344	5.1
227.17902	6.0
229.15852	6.0
229.19440	2.4
231.13872	2.4
231.17416	3.7
235.13226	2.7
237.16377	2.8
239.17906	5.9
241.19557	4.7
243.17491	4.4
245.11711	1.6
245.15459	4.1
247.16876	3.2
251.17986	2.5
253.19635	3.2
255.17432	3.4
255.20992	3.9
257.19046	2.6
261.14819	3.9
263.16272	2.7
265.19437	2.7
267.21008	4.2
275.20126	4.0
277.19485	1.9
287.20029	1.7
305.32138	1.5
317.22760	3.2
335.23575	3.0
373.28754	7.8
375.30692	2.5
391.29904	43.2
392.30322	5.3
393.31412	6.1
409.30963	2.4
419.29355	25.6
420.29645	3.2
433.92038	1.4
437.30460	100.0
438.30789	14.0
455.31552	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	437.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78042	1.4
53.03939	2.1
54.91391	1.4
55.05494	13.9
57.03428	1.9
57.07046	2.8
65.03915	2.7
67.05489	19.7
69.03412	3.4
69.07063	13.5
69.57800	1.3
69.58970	5.9
69.59398	6.0
79.05476	15.1
80.98852	1.3
81.03403	1.5
81.07038	33.4
83.04961	1.8
83.08594	3.9
91.05463	25.9
93.07024	35.7
95.04939	6.1
95.08588	55.8
95.09199	3.2
97.06500	3.5
97.10159	2.1
99.08105	6.8
103.05491	1.7
105.07009	54.3
105.07714	2.9
107.04913	1.6
107.08575	62.7
108.08904	1.6
109.06484	5.2
109.10129	40.0
111.08060	5.2
115.05426	2.3
117.06981	9.7
119.04929	1.8
119.08557	100.0
120.08899	3.0
121.06478	9.0
121.10117	35.2
123.08061	8.4
123.11662	5.9
125.05852	1.5
125.09570	1.5
128.06204	3.5
129.06967	8.2
130.07791	2.9
131.08543	42.6
133.10097	37.4
135.08020	17.6
135.11662	17.7
137.09605	7.8
137.41216	1.5
141.06960	3.4
142.07747	5.5
143.08542	25.1
144.09297	5.2
145.06474	1.8
145.10092	62.2
146.10425	2.7
147.08020	5.9
147.11670	22.3
149.05904	2.5
149.09583	8.0
149.13197	10.4
151.14778	4.7
152.07092	2.4
155.08514	8.7
156.09326	7.5
157.10103	35.5
158.10861	5.0
159.11674	44.4
161.09596	9.4
161.13208	30.8
163.07576	2.4
163.11162	4.6
163.14734	9.2
165.42447	1.3
168.09248	2.7
169.10103	14.9
170.10867	8.9
171.11653	41.6
172.12318	3.3
173.09570	2.2
173.13217	42.8
175.11157	3.1
175.14784	24.4
177.09090	3.1
177.12715	4.7
177.16321	5.4
179.08470	1.7
179.14268	4.4
181.10132	3.1
182.10835	3.1
183.11678	16.0
184.12498	1.7
185.13216	39.1
186.13614	2.0
187.11194	5.3
187.14781	54.9
189.12692	14.6
189.16370	9.4
191.14285	17.9
193.10056	2.3
194.10674	1.9
195.11668	6.0
195.13713	1.8
196.12395	3.2
197.13226	15.7
198.13947	2.5
199.14789	37.5
200.15250	1.4
201.12709	3.4
201.16348	40.3
202.16606	3.1
203.14282	5.9
203.17886	3.8
205.15840	4.3
207.11679	2.8
209.13315	9.1
211.14774	17.4
212.15364	1.7
213.12984	2.2
213.16345	51.0
214.16978	2.5
215.14233	7.5
215.17958	4.6
217.12318	1.8
217.15831	6.3
217.19641	1.5
219.13774	4.4
219.17419	4.5
221.13228	3.5
223.14832	6.2
225.16293	6.3
227.14246	2.2
227.17885	6.0
229.15883	3.6
229.19330	2.4
231.13866	2.4
231.17323	3.5
233.13261	1.8
233.15308	2.6
235.13234	4.3
236.15363	1.5
237.16479	4.4
239.17947	8.5
241.15825	2.3
241.19432	6.7
243.17465	2.4
245.15445	6.5
247.16830	2.0
249.16345	2.9
251.17918	6.0
253.19493	5.1
254.20164	1.7
255.17400	2.2
255.21088	4.6
257.15521	1.9
257.18991	2.0
258.16129	6.3
259.16861	12.8
263.17984	3.3
265.19510	5.7
267.21072	5.9
269.22449	2.0
275.13782	1.7
277.19473	1.7
279.21399	1.8
283.20532	2.0
285.18411	1.6
295.20547	2.2
297.22098	1.6
299.20004	2.1
303.20929	2.0
307.24075	2.1
317.22601	2.1
319.24207	4.1
321.22049	2.3
321.25745	1.6
343.22736	1.6
363.22879	1.9
363.30548	3.3
365.24750	3.9
367.22775	1.7
373.28833	12.6
375.30414	3.9
391.29889	59.5
392.30045	2.8
393.31406	12.3
401.28348	2.7
408.39124	1.5
409.30927	4.0
419.29355	20.9
437.30429	74.0
438.30649	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	437.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12326	1.3
52.94559	1.3
53.03939	2.3
55.01854	3.3
55.05499	13.6
57.03430	1.4
57.07062	2.3
65.03926	2.0
67.05499	20.7
69.03426	2.3
69.07058	13.5
70.61240	4.8
79.05475	14.8
81.03400	5.2
81.07044	29.7
83.05019	2.7
83.08600	6.3
85.02895	3.1
85.06557	2.3
91.05467	23.3
93.07029	32.2
95.04947	4.6
95.08594	47.6
96.08913	1.7
97.02863	2.1
97.06486	4.9
97.10156	3.0
99.08073	1.9
103.05494	1.7
105.07018	48.4
107.08577	42.7
109.02853	1.8
109.06494	4.4
109.10134	27.0
111.08082	3.5
115.05428	1.6
117.06989	9.3
119.08563	86.7
120.08879	2.5
121.06506	12.4
121.10136	26.5
123.08053	5.6
123.11732	4.8
125.09643	2.7
127.03837	1.8
128.06161	4.8
129.06978	7.5
130.07750	2.7
131.08553	36.1
133.06477	2.7
133.10112	38.8
135.08025	15.9
135.11681	10.9
137.05963	1.5
137.09590	4.9
137.13237	2.1
142.07759	4.8
143.08543	21.9
144.09291	4.3
145.06462	1.9
145.10104	60.9
146.04314	1.5
146.10506	1.5
147.04391	3.7
147.08047	10.8
147.11673	26.5
149.09592	6.8
149.13246	15.3
151.11147	2.1
153.09172	1.5
155.08542	5.5
156.09293	7.6
157.10104	23.5
158.10889	4.9
159.08061	2.7
159.11676	36.0
160.12038	2.0
161.09607	17.7
161.13245	24.9
163.11143	5.9
163.14796	13.6
167.10635	1.5
169.10085	8.0
170.10898	3.2
171.08000	1.7
171.11647	19.7
172.12497	2.8
173.09634	5.4
173.13232	34.9
174.13698	2.0
175.11156	6.9
175.14803	21.5
177.12732	4.7
177.16342	10.1
179.14297	2.6
180.09393	1.5
181.10045	2.5
182.10791	2.6
183.11661	11.9
185.13213	22.6
187.11201	4.1
187.14801	60.0
189.12714	26.6
189.16325	22.7
191.14270	20.3
193.10176	1.7
195.11731	3.3
196.12376	1.9
196.52896	1.6
197.13219	9.0
198.14105	1.8
199.11185	3.7
199.14774	21.9
201.12837	5.2
201.16376	33.3
202.16650	2.4
203.14279	10.5
203.17889	14.9
205.15819	2.7
207.11752	1.9
209.13319	3.4
211.14816	4.6
213.12738	11.2
213.16338	11.5
214.96106	1.8
215.14308	17.6
215.17924	4.4
217.12352	2.4
217.15793	8.7
219.13962	2.6
219.17406	2.8
221.13240	1.9
223.14664	2.5
225.16417	3.4
227.17946	4.9
229.15834	6.1
231.13829	2.4
235.13213	3.3
237.16432	3.0
239.17946	4.0
241.19490	4.6
243.17485	2.3
243.21095	2.4
245.15398	5.4
247.17038	3.2
253.19321	3.1
257.19058	3.0
261.14828	4.8
267.21005	3.0
275.20041	3.5
278.10358	1.9
291.20996	1.7
297.18185	1.7
347.42471	1.7
349.25299	2.4
363.30154	1.7
373.28867	9.5
375.30621	3.6
391.29932	49.8
391.34860	3.6
392.30270	2.3
393.31506	4.7
409.30783	3.8
419.29486	24.1
420.29840	2.2
437.20990	6.3
437.30460	100.0
438.30832	8.2
454.38406	1.7
455.31442	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	437.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	11.7
59.90771	2.2
65.03925	3.0
67.05502	21.6
69.03418	3.4
69.07061	15.3
69.69126	12.9
69.69547	6.1
70.18064	1.8
76.32797	2.0
79.05486	19.2
81.06612	2.7
81.07050	34.8
83.08591	4.9
85.06523	2.1
91.05457	27.3
93.07034	35.6
95.04955	6.0
95.08595	64.3
97.06548	3.1
98.20783	3.8
99.08083	10.1
103.05442	2.6
105.07017	57.2
107.08585	61.8
109.06526	4.6
109.10141	48.3
111.08080	4.7
117.07011	10.4
119.08569	100.0
120.08921	3.0
121.06478	8.7
121.10130	40.8
123.08049	9.9
123.11678	7.0
128.06230	3.0
129.06990	8.8
130.07773	3.2
131.08549	42.9
133.10107	38.8
135.08035	18.5
135.11682	17.2
137.09595	9.7
141.06917	3.4
142.07776	6.3
143.08562	26.4
144.09332	3.6
145.10107	72.6
147.08052	6.3
147.11665	24.5
149.09613	6.5
149.13190	13.2
151.11223	3.1
151.14789	4.9
155.08540	6.0
156.09354	8.5
157.10097	36.0
158.10876	5.5
159.11679	49.1
161.09612	8.8
161.13243	32.5
163.11160	4.4
163.14835	8.3
169.10121	12.4
170.10904	8.9
171.11667	45.7
172.12257	3.3
173.09627	2.8
173.13254	46.0
174.13657	2.4
175.11246	4.5
175.14780	24.0
177.09146	5.1
177.12767	10.0
177.16425	5.8
179.14305	4.4
182.10886	4.0
183.11667	18.0
184.12451	2.4
185.09590	3.0
185.13249	43.0
185.14778	4.0
186.13541	2.7
187.11206	4.8
187.14798	56.4
188.15146	3.6
189.12781	17.8
189.16371	9.0
191.14336	16.1
195.11723	6.8
195.13744	2.4
196.12485	3.9
197.13232	13.4
198.13901	3.1
199.14821	36.5
201.12828	2.8
201.16365	41.2
203.14256	7.2
203.17960	3.4
205.15910	4.8
209.13274	7.1
211.14830	20.3
213.16360	59.4
214.16756	3.6
215.14236	10.3
215.17902	5.3
217.15800	3.1
219.13910	2.7
219.17467	2.1
221.15248	2.6
223.14839	4.9
225.16344	4.2
227.14297	3.2
227.17924	8.5
229.15929	6.6
229.19548	2.9
231.17418	4.9
233.15364	2.5
235.13092	3.9
236.19856	2.0
237.16383	4.5
239.17972	8.8
241.19522	6.9
245.15413	7.1
247.17015	4.0
250.17223	2.2
251.18027	4.3
253.19463	5.9
255.17282	2.6
255.21115	7.1
257.15393	4.2
258.16119	7.3
259.16898	13.4
263.18066	2.2
265.19583	5.2
267.21085	9.7
269.18878	2.6
293.22617	3.3
299.20178	3.2
319.24091	5.7
365.24680	3.6
373.28812	9.9
391.29871	68.2
392.30353	4.1
393.31445	9.5
401.28360	2.6
409.31296	3.1
419.29306	22.0
437.30505	75.7
438.30649	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	437.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.8
55.05499	13.3
57.07061	6.0
67.05489	24.5
69.07059	26.8
71.16270	5.4
79.05467	10.7
81.07041	57.3
83.08614	11.3
84.65166	1.9
91.05481	9.7
93.07035	22.4
95.08590	97.0
96.83544	1.9
97.10169	3.9
105.07019	28.8
107.08577	38.1
109.10137	40.9
112.45774	2.0
117.07008	5.5
119.08556	48.8
121.10133	28.4
123.11695	20.3
124.65105	1.9
129.06992	4.6
131.08586	14.1
133.10129	25.4
135.08138	2.5
135.11664	16.9
137.13226	14.0
141.07005	2.3
143.08565	9.0
145.10083	34.9
147.11626	18.7
149.13260	15.8
151.14807	11.0
155.08536	3.8
156.09416	2.4
156.82729	2.0
157.10152	12.6
159.11678	24.0
161.13251	16.3
163.14796	13.9
169.10167	6.5
170.10963	2.5
171.11673	16.8
173.13226	21.1
175.14789	32.6
177.16406	9.3
181.05823	2.1
183.11688	10.2
185.13254	10.5
187.14771	12.3
189.16388	17.6
191.17905	15.2
195.11630	2.3
197.13240	4.8
199.14809	12.5
201.16350	32.0
203.17912	17.9
209.13268	2.2
211.14861	6.4
213.16371	13.3
215.17892	12.3
217.12106	3.7
217.19612	6.4
221.15311	3.1
225.16422	4.6
227.17963	7.3
229.19553	8.3
233.15474	2.6
239.17924	14.8
241.19493	24.5
243.21115	10.2
245.15451	2.8
247.17033	4.6
253.19455	7.7
255.21107	7.1
259.16956	6.4
259.20535	3.4
265.19455	2.6
267.21136	7.8
269.22672	4.4
271.16672	2.7
273.18594	5.1
279.21039	2.7
281.22739	4.6
285.18423	16.4
287.20007	5.9
295.24103	2.6
299.19995	7.1
301.21643	3.9
313.21591	6.0
321.25977	2.3
335.27475	5.0
341.25034	3.7
349.28940	4.6
353.24576	3.2
391.33517	27.9
437.34167	100.0
438.34622	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	437.341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68850	1.3
55.05513	11.3
57.07061	6.1
63.47760	1.2
67.05495	20.5
69.07057	21.0
70.03433	8.5
79.05476	12.1
81.07045	46.3
81.59587	1.4
83.08615	12.8
84.98950	1.3
90.20734	1.3
91.05462	11.6
93.07030	24.0
95.04981	2.2
95.08590	77.4
96.08913	1.6
97.10166	4.7
97.49991	1.5
99.70419	1.4
105.07016	27.3
107.08580	33.2
109.10143	35.7
109.69829	1.4
117.07003	5.8
119.08566	43.6
121.10140	26.7
123.10846	2.5
123.11678	17.3
128.06233	1.6
131.08543	18.1
133.10118	27.4
135.11668	17.3
136.12024	1.8
137.13248	12.9
143.08537	7.6
144.09283	1.8
145.10097	33.2
147.11671	21.2
149.13231	17.6
151.14790	9.0
153.09074	2.0
155.08510	3.4
156.09364	1.6
157.10080	9.0
158.10938	1.7
159.11668	16.4
160.12434	1.3
161.13245	14.3
163.11086	1.9
163.14784	16.1
164.15152	1.6
169.10083	3.7
171.11679	14.4
173.11761	1.7
173.13216	17.9
175.14790	26.8
175.16165	2.0
177.09131	2.5
177.16341	10.9
181.10144	2.1
181.12201	1.5
183.11674	5.0
185.13295	6.5
187.14781	8.9
189.16365	23.4
191.17923	13.4
197.13217	5.4
199.14809	9.7
201.16359	31.6
202.16714	1.9
203.17924	26.1
203.19664	2.3
211.14810	3.7
212.15422	1.7
213.16338	10.6
215.17931	15.5
217.12160	2.6
217.19475	6.8
223.14790	1.9
225.16406	5.5
227.17969	4.8
229.19608	6.3
233.15303	2.3
235.16991	2.4
239.17914	10.7
241.19470	23.5
243.21065	8.7
245.15431	1.7
247.16940	6.2
253.19470	7.4
255.21066	7.4
259.16904	9.1
261.18457	3.1
265.19595	1.4
267.04251	1.8
267.20993	7.9
269.22519	1.6
273.18463	2.3
279.21335	1.6
281.22726	2.9
285.18512	11.5
287.17224	1.6
287.20047	6.5
293.22678	2.0
295.24301	4.5
299.19940	7.5
301.21649	4.0
307.24097	2.4
309.25925	1.8
313.21616	4.2
315.23260	1.9
335.27405	4.0
349.29071	2.7
353.24707	2.5
367.26306	2.2
391.33600	28.2
392.33664	1.9
395.29221	2.4
437.34128	100.0
438.34454	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	437.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88987	1.9
55.05502	18.3
57.07055	7.7
67.05499	31.0
69.07059	25.8
70.95789	4.2
70.96136	2.8
79.05486	18.3
81.07043	69.5
83.08609	15.3
91.05447	18.4
93.07030	35.8
95.04923	2.0
95.08591	100.0
96.08932	2.1
97.10175	8.0
105.07017	37.4
107.08578	61.7
109.06519	3.5
109.10146	52.6
116.15535	1.9
117.06985	6.1
119.08571	67.2
121.10130	45.3
123.08067	2.5
123.11684	28.9
129.06972	3.5
131.08566	18.9
133.10112	33.1
135.11671	27.8
137.13226	26.3
143.08557	9.0
145.10106	32.4
147.11676	29.9
149.13229	29.1
151.07614	2.7
151.14781	4.6
153.09119	3.0
155.08493	3.8
156.09285	2.5
157.10051	13.0
159.11664	30.8
161.13223	21.5
163.07584	5.2
163.14783	8.8
169.10121	7.0
171.08870	1.7
171.11664	18.7
173.13231	26.3
175.14780	18.3
177.16377	13.7
179.17990	2.9
183.11719	7.3
185.13214	12.1
187.14792	16.8
189.16371	22.1
190.16689	1.9
191.17906	23.2
197.13254	6.3
199.14842	16.0
201.12749	2.9
201.16370	46.8
203.10719	2.3
203.17935	17.8
205.12273	3.2
205.19514	6.1
209.13249	2.0
211.14838	8.5
212.15535	2.5
213.16350	23.1
215.17932	12.0
217.12170	1.9
217.19472	8.0
219.13736	9.1
221.15308	2.1
225.16412	6.7
227.17963	7.3
229.19495	3.9
231.13708	3.8
231.17430	2.2
231.21072	2.6
233.15387	4.2
239.17975	7.3
241.19533	8.0
243.21066	3.2
245.15428	8.3
245.22668	3.5
247.16968	8.2
253.19469	9.3
255.21207	6.1
257.22598	3.1
259.16843	17.4
261.18475	3.2
267.21024	3.9
269.22525	3.9
271.17004	4.3
273.18506	4.2
279.20944	2.8
283.24127	2.4
285.18515	8.7
287.20001	10.9
293.22485	2.9
295.24219	2.8
299.19989	14.5
301.21671	3.3
307.24304	2.3
313.21780	3.8
335.27310	3.0
349.28897	2.4
360.87817	2.0
384.32452	2.0
385.31052	3.5
391.33530	27.5
402.33661	4.9
419.33377	3.2
437.34149	99.5
438.34619	5.2
455.05624	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
54.55973	0.7
55.05497	8.6
57.07055	2.5
67.05495	11.7
69.07059	11.0
70.20857	2.7
70.21264	1.3
71.08611	0.9
79.05485	8.2
81.07038	22.7
82.17496	1.0
83.08596	7.5
91.05462	10.1
93.07027	17.9
95.08589	39.5
97.10155	1.8
103.05443	1.0
105.07014	25.4
107.04954	0.9
107.08574	33.9
109.06509	2.4
109.10136	20.5
117.07001	3.6
119.08559	72.4
120.08898	1.5
121.10123	23.2
123.08057	1.8
123.11679	6.1
125.06015	0.9
131.08546	11.1
133.10107	42.3
135.07985	1.4
135.11673	12.7
137.13258	2.5
142.07787	1.5
143.08569	4.2
144.09328	1.9
145.10104	30.5
145.11229	2.0
146.10883	0.9
147.11661	28.0
149.13223	8.6
151.14789	1.1
153.09088	3.1
157.10086	4.5
158.10907	1.9
159.11662	41.3
160.12180	1.5
161.13242	14.4
163.14801	4.6
165.09094	1.2
167.10555	1.3
170.10849	0.9
171.11711	4.4
172.12439	1.9
173.13220	12.0
174.13976	1.1
175.11079	1.1
175.14787	16.0
175.16193	1.5
177.08990	1.0
177.16344	12.7
183.11609	1.1
185.13297	3.9
187.14783	33.3
189.16351	87.6
190.16678	3.5
191.17912	7.4
193.12160	1.1
199.14830	3.8
201.16353	28.7
201.18170	1.8
203.17924	36.9
203.26584	0.8
204.18358	1.3
205.15843	5.4
205.19513	2.5
207.17439	1.7
211.14807	1.3
213.16312	8.7
215.17921	12.4
217.15941	1.6
217.19493	3.4
219.21193	0.9
221.15245	1.2
221.18852	0.9
225.16367	1.1
227.17928	2.4
229.19429	2.5
231.17351	1.2
235.16965	3.0
241.19475	2.2
243.21002	2.4
247.16896	3.5
249.16034	1.1
249.18446	2.4
253.19487	1.4
259.17145	1.5
261.18497	2.6
267.21036	1.8
281.97394	0.9
285.25598	1.0
287.19986	1.4
295.24136	2.4
313.25302	1.1
391.33472	10.7
409.34656	2.0
437.34109	100.0
438.34610	7.1
448.17429	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77174	1.4
53.03927	1.7
55.05504	11.4
57.07070	5.0
67.05498	23.9
69.07058	22.0
69.46278	5.3
69.46700	10.0
79.05483	12.0
81.03405	1.4
81.07045	48.8
83.08607	11.9
83.88330	1.5
91.05476	15.4
93.07035	27.6
95.04979	1.7
95.08590	75.7
95.52376	1.6
96.97362	1.5
97.06537	2.4
97.10189	3.0
97.12721	1.4
105.07012	32.3
107.08586	36.0
109.06490	2.2
109.10142	35.5
111.08028	2.1
117.07014	6.8
119.08562	53.3
120.08894	1.6
121.09349	1.0
121.10129	27.0
123.08061	1.8
123.11691	20.3
129.00810	1.5
129.06998	4.5
131.08545	14.9
133.10104	28.0
133.29465	1.5
135.11665	21.4
137.13232	12.7
139.07520	1.5
142.07793	1.9
143.08525	7.6
145.10101	35.5
147.11656	27.0
149.13235	16.6
151.07668	1.8
151.14835	6.5
153.09097	2.1
155.08572	3.5
157.10107	10.5
158.10805	1.7
159.08034	1.7
159.11674	26.9
159.12958	2.0
160.12350	2.3
161.13226	20.6
163.07590	1.5
163.14790	12.7
169.10132	3.9
171.11671	12.7
173.13231	17.4
174.14012	1.8
175.14801	29.1
175.16191	2.4
177.09160	1.9
177.16368	9.2
180.40961	1.6
183.11658	5.7
185.13277	5.0
187.14784	13.4
189.16344	31.5
191.17917	13.4
195.11720	2.3
197.13319	4.8
199.14864	6.8
201.16373	38.8
203.17947	29.5
205.12276	1.6
211.14865	3.5
213.16315	7.2
215.17953	18.9
217.19508	7.7
221.15399	2.7
225.16431	4.3
227.17949	5.1
229.15741	1.6
229.19569	3.9
231.17426	2.1
235.16988	2.3
237.16881	1.6
239.17928	9.8
241.19492	17.3
243.21078	8.5
245.15221	2.3
247.16991	6.9
249.18590	1.6
253.19547	5.0
255.21082	6.9
259.16953	4.1
259.20850	2.2
265.19604	1.6
267.17566	2.0
267.21136	4.7
269.22800	1.9
271.17221	1.7
273.18491	3.3
275.19897	2.2
279.21133	2.4
285.18393	7.9
287.20004	5.1
295.24307	5.1
299.20105	5.0
301.21576	3.1
313.21680	4.5
321.25659	1.8
327.23352	1.8
335.27325	4.5
353.24969	2.2
367.26373	1.9
391.33539	23.4
395.29755	1.9
401.33633	1.7
419.34488	2.4
437.34195	100.0
438.34375	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	437.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73988	2.3
51.87075	2.6
55.05493	9.2
57.83133	2.1
61.14098	2.4
67.05497	16.2
68.79976	2.1
69.07064	19.2
70.27448	2.3
70.60886	10.0
73.67492	2.1
79.05466	7.8
81.07047	41.8
83.08596	6.9
91.05460	11.7
93.07016	20.2
95.08594	79.8
97.10159	4.6
98.20838	2.8
105.07014	25.7
107.08570	32.6
109.10147	25.7
117.06979	4.7
119.08564	45.9
121.10121	24.9
123.11668	16.1
129.07005	2.5
131.08519	10.7
133.10133	24.9
135.11685	12.0
137.13243	8.7
143.08514	5.2
145.10115	36.0
147.11664	21.8
149.13229	14.7
151.14824	6.8
153.09036	2.4
157.10078	5.9
159.11682	20.7
161.13231	14.1
163.14839	13.0
169.10066	6.9
171.11687	10.8
173.13246	16.7
175.14784	30.2
177.09204	3.6
177.16385	9.1
183.11630	4.1
185.13217	4.3
187.14706	12.7
189.16362	26.6
191.17928	14.4
197.13214	7.1
199.14778	11.2
201.16331	32.6
203.17911	19.3
205.19534	3.4
211.14880	4.3
213.16379	8.2
215.17903	15.0
217.19516	7.5
221.15302	3.3
225.16302	2.8
227.17975	4.5
229.19489	6.2
239.17931	8.5
241.19533	14.7
243.21054	8.2
245.15237	2.9
247.16888	6.9
253.19308	4.0
255.21143	3.7
259.16895	4.7
259.20734	3.1
267.21063	2.9
269.22574	2.8
285.18503	8.2
295.17056	2.6
295.24268	6.2
299.20007	6.4
313.21472	6.5
321.25659	4.7
335.27274	6.0
391.33630	26.7
437.34070	100.0
438.34390	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	437.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	10.8
56.28534	1.1
57.07058	4.9
65.03905	1.3
65.24305	1.1
67.05492	11.2
69.07059	13.0
73.12923	1.3
73.71821	1.1
77.33298	0.9
77.99500	0.9
79.05488	7.6
81.07047	29.2
83.08166	1.2
83.08607	7.9
83.25367	1.1
83.90057	1.1
84.84637	1.0
85.24776	1.0
91.05459	11.7
93.07034	23.1
95.04982	1.9
95.08595	49.4
97.10139	4.0
98.20685	2.6
105.07015	38.9
107.08578	37.6
107.09317	1.5
109.06499	2.1
109.10149	22.8
117.07015	7.6
119.08566	69.1
121.10128	30.9
123.08046	1.6
123.11702	10.5
124.33677	1.1
128.06169	1.2
129.06975	1.9
131.08551	13.1
133.10115	42.1
135.11679	19.1
137.13260	5.4
139.07515	1.2
143.08519	6.4
144.09320	1.2
145.10104	27.9
147.11659	34.4
149.13222	11.4
151.14792	1.8
153.09102	5.1
155.08592	1.2
157.10149	4.6
158.10875	2.2
159.11673	31.9
160.12390	1.4
160.38554	1.2
161.13231	23.8
163.14777	8.3
167.10722	1.4
169.10133	1.8
171.11691	4.8
172.12390	1.5
173.13237	13.0
175.14803	30.2
177.16377	15.5
183.11693	2.5
185.13252	2.6
187.14777	10.7
189.16367	63.0
190.16754	1.8
191.17941	9.0
193.12070	1.2
193.15944	2.0
199.14839	4.7
201.16364	55.7
202.16824	1.1
203.17926	62.9
204.18327	1.3
205.19522	2.2
207.17409	1.5
211.14996	1.7
213.16335	9.3
215.17947	26.7
217.19470	6.1
219.17377	1.3
221.15392	2.3
225.16310	2.5
227.17941	4.6
229.19452	8.5
231.17154	1.2
235.16920	3.7
239.17862	1.3
241.19499	4.7
243.21077	7.3
247.16957	4.4
249.18442	1.6
253.19493	3.0
255.21071	4.0
257.22546	1.3
259.16837	2.7
261.18472	4.8
267.21039	2.4
269.22562	2.6
285.18216	1.2
287.19971	2.7
289.21722	1.2
299.20041	2.6
301.21460	2.3
313.21466	1.6
315.23282	1.9
327.23184	1.6
335.27335	1.8
349.28790	1.5
353.24673	1.3
381.27963	1.6
391.33603	20.8
394.28543	2.2
437.34134	100.0
438.34473	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	437.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44981	1.5
53.03949	2.3
53.40605	1.5
54.29831	1.6
55.05264	1.4
55.05501	9.6
57.07059	5.4
63.62607	1.4
67.05490	11.8
69.07053	15.6
69.72974	11.1
79.05485	9.4
81.07046	31.9
83.08614	10.4
91.05460	12.9
93.07039	27.8
95.08591	58.1
97.10136	2.5
97.21338	1.7
105.07015	45.4
107.08575	47.1
109.06519	1.9
109.10142	27.0
117.06987	6.3
119.08564	69.3
121.09262	2.3
121.10129	41.8
123.11698	16.3
129.07021	3.2
130.07892	1.7
131.08549	15.9
133.10110	43.4
135.11662	26.4
137.13235	6.9
143.08514	4.6
144.09381	2.3
145.10110	35.7
147.11664	44.1
149.13234	16.4
151.07475	2.4
151.14809	2.7
153.09062	5.8
157.10123	7.1
158.10938	1.7
159.11679	39.0
159.12961	3.1
160.12352	2.4
161.13248	22.1
163.14798	7.6
165.52521	1.7
169.10118	3.3
171.11661	4.8
173.13223	13.6
174.13950	2.0
175.14809	27.6
177.09129	2.7
177.16354	19.9
183.11690	3.9
185.13237	6.5
187.14731	9.6
189.16347	51.9
190.16652	3.5
191.17912	11.9
197.13248	3.0
199.14819	5.1
201.14478	3.0
201.16356	55.5
203.17917	60.9
205.19585	2.9
207.17368	2.1
209.13405	1.9
211.14789	3.5
213.16339	4.9
215.17903	22.6
217.19522	3.6
221.15259	2.1
225.16536	2.6
227.17947	3.7
229.15916	1.7
229.19472	6.3
233.15291	2.5
235.16931	2.8
239.18054	3.3
241.19576	4.3
243.20982	6.4
247.16936	9.0
255.21115	3.4
259.16971	2.4
261.18460	10.7
267.20932	3.4
269.22507	3.1
287.20029	2.9
289.21606	2.4
295.24136	5.5
299.19931	2.3
301.21579	3.9
307.24496	1.9
315.23227	2.7
335.27185	2.3
346.92303	1.6
381.27890	3.0
381.96307	1.6
391.33499	21.4
394.28458	3.5
437.34094	100.0
438.34357	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	437.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	10.3
57.07056	4.4
65.58975	1.0
67.05499	16.1
69.07062	15.5
70.53249	1.1
79.05485	11.8
80.79871	1.0
81.07040	34.6
82.33818	1.0
83.08617	10.6
83.47216	1.0
91.05466	16.2
91.83084	1.1
93.07031	29.7
95.04972	1.5
95.08590	59.4
96.08896	1.3
97.10155	3.9
102.38678	1.0
105.07014	44.1
107.08578	46.1
108.08901	1.6
109.06488	1.5
109.10133	29.3
115.05358	1.5
117.06981	6.8
119.08559	64.9
120.08840	1.3
121.10123	40.7
123.08056	1.7
123.11684	16.9
125.05924	1.3
128.06232	1.5
129.06975	2.0
130.07771	1.6
131.08556	17.8
133.10110	49.9
135.11671	23.5
137.13234	5.3
143.08519	6.6
144.09340	2.9
145.10097	39.1
146.10521	1.2
147.11662	40.3
149.13266	12.9
151.14767	1.8
153.09077	6.4
156.09314	1.5
157.10063	7.5
158.10861	2.0
159.11671	38.9
160.12329	2.6
161.13231	23.1
163.07506	1.8
163.14822	8.1
171.11615	6.4
173.13228	14.5
175.14809	28.2
177.09099	2.0
177.16362	17.3
183.11690	3.6
185.13293	5.3
187.14778	10.3
189.16348	62.8
190.16669	2.6
191.17886	10.4
197.13319	2.0
199.14731	5.5
201.16353	56.7
202.16693	1.8
203.17926	54.4
204.18356	2.5
205.19530	2.3
211.14819	2.8
212.18593	1.1
213.16393	4.2
215.17926	22.3
217.19446	5.7
221.15242	2.4
225.16417	3.2
225.65526	1.3
227.17960	4.8
229.15872	1.9
229.19466	8.1
231.17577	1.9
233.15530	2.2
235.16908	4.4
239.17824	2.6
241.19470	3.9
243.21072	4.4
247.16913	9.6
249.18597	2.4
253.19455	4.1
255.21054	4.2
261.18475	8.6
267.20956	2.8
269.22699	3.4
287.20081	3.6
295.24188	4.8
299.20093	2.9
301.21527	1.9
308.55930	1.3
308.59998	1.3
315.23114	1.7
321.25732	1.3
327.23389	1.3
335.27362	1.4
348.28549	1.4
349.28775	1.2
381.27948	2.9
391.33566	21.8
392.33997	1.5
394.28690	4.7
409.33841	1.1
419.33200	2.5
437.34103	100.0
438.34442	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	437.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47141	0.9
55.05507	6.4
57.07063	1.0
57.34731	0.7
67.05493	8.8
69.07056	9.2
69.78541	5.9
79.05480	7.5
79.97208	0.8
81.07040	16.2
83.08600	4.9
87.08155	0.9
87.98565	0.7
91.05479	9.5
93.07033	11.8
95.04916	0.8
95.08589	36.8
96.08931	0.8
97.10126	2.5
105.07011	22.6
107.08576	33.5
109.10143	17.7
112.19878	0.8
113.63480	0.8
115.05404	1.0
115.91940	0.8
117.07001	2.6
119.08560	61.9
120.08848	1.5
121.10133	17.6
123.11686	5.8
125.09596	0.8
129.07010	0.8
130.07809	1.2
130.59511	0.8
131.08559	5.4
133.10106	40.7
135.08041	1.0
135.11662	10.7
137.13216	1.8
143.08504	2.9
144.09348	2.7
145.10098	31.1
146.10744	1.0
147.11661	25.9
149.09593	1.3
149.13249	7.2
153.09067	4.2
157.10136	3.9
158.10921	1.4
159.11668	44.2
160.12378	1.8
161.09572	0.9
161.13246	12.3
163.07466	1.2
163.14795	5.1
165.09076	1.0
167.10721	1.6
169.10141	1.0
171.11649	3.9
173.13220	8.7
174.13879	1.4
175.14801	9.9
177.16351	11.7
185.13272	2.4
186.13896	0.9
187.14793	35.1
189.16353	88.5
190.16753	2.6
191.17906	6.0
197.13206	0.9
199.14848	1.1
201.16370	17.9
203.17912	24.2
204.18309	0.8
205.15831	6.2
205.19551	3.0
207.17476	2.1
211.14841	0.9
213.16341	7.8
215.17903	6.0
217.15849	1.4
217.19528	1.2
219.21078	1.7
225.16479	0.9
227.17964	1.7
229.19559	1.9
231.17320	1.0
235.16985	2.6
239.17838	1.1
241.19495	1.3
243.21062	1.5
247.16884	1.8
249.18564	1.8
252.49724	0.8
253.19495	0.8
255.20876	0.8
295.24146	2.7
313.25281	0.9
332.29831	1.1
335.27274	1.0
391.33624	7.6
409.34467	2.5
419.34137	1.1
437.34113	100.0
438.34659	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	438.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	13.9
55.01871	14.7
56.96549	22.2
57.02503	6.1
57.03407	8.5
58.06590	11.4
60.04509	24.7
61.02912	14.0
61.48470	6.0
65.03938	7.0
66.23515	5.8
67.05489	18.1
67.13764	6.2
69.03424	47.1
70.02948	13.7
70.06588	19.4
71.01341	11.6
71.04981	8.4
71.45798	14.4
72.04502	13.6
73.02900	12.0
74.06055	18.4
78.13515	5.9
79.05477	44.8
80.05036	6.2
81.03402	41.8
81.07049	30.2
83.04958	23.6
84.04498	18.9
84.96017	7.1
85.02891	65.1
86.06060	17.7
87.04474	10.8
91.05486	30.9
93.07040	10.5
94.06540	14.6
94.10045	6.0
95.04954	46.9
97.02882	45.3
97.06544	8.8
98.06046	11.4
98.97569	100.0
99.04427	9.7
103.05412	8.3
104.60195	6.0
106.06566	9.6
107.04934	27.7
109.02865	14.1
109.06501	18.4
110.06031	19.4
110.97540	8.5
111.04414	17.2
112.07610	7.3
113.02383	6.8
114.05531	6.2
116.98608	50.9
119.01907	13.7
119.04936	15.0
120.08102	12.0
121.06499	9.7
122.06032	13.0
123.04410	41.6
124.07629	10.8
125.05949	11.6
126.05534	16.4
127.03915	17.5
128.98570	16.3
130.08673	10.1
134.06013	15.8
134.99638	15.7
135.04457	12.0
136.07542	7.5
137.05959	13.0
139.03900	12.5
143.01846	7.8
145.04947	7.0
146.99625	12.2
147.04337	11.8
148.07530	14.5
149.05894	8.3
152.07088	11.6
153.05458	11.7
158.99614	34.3
161.01314	7.8
161.02971	11.0
165.05516	12.3
166.08537	8.2
167.07037	9.4
168.06543	7.3
170.99626	8.4
176.06976	11.2
177.00687	45.8
180.06544	11.3
183.06543	10.5
194.08116	20.5
198.07623	29.7
204.04713	12.8
204.08669	22.8
212.09193	23.6
213.12361	10.4
219.01770	13.4
219.05251	8.8
219.07851	7.9
222.07687	7.2
222.09653	15.8
223.01172	10.9
230.10236	11.6
237.02837	34.1
240.08623	41.6
242.10248	20.9
243.14723	6.8
258.04941	14.2
258.09689	76.4
260.11288	12.1
276.10770	10.2
291.07486	24.5
309.08560	56.7
309.11813	9.1
320.07452	8.1
351.09497	7.9
438.16165	27.6
439.11188	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	438.16
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05013	10.3
57.03430	15.6
60.04516	77.6
67.05487	11.1
69.03423	45.2
70.02902	10.6
70.06590	10.1
71.01313	9.5
71.07122	19.4
71.07449	8.4
72.04493	12.6
73.35662	8.4
74.06084	15.5
76.03991	20.7
79.00398	9.0
79.05462	33.4
80.05019	11.8
81.03403	44.7
81.07029	27.7
82.06559	13.0
83.04961	17.8
84.04482	24.9
85.02883	76.8
86.06041	32.2
91.05466	13.2
93.07041	18.4
94.06544	21.7
95.04952	33.8
96.04459	16.6
96.08104	13.1
97.02888	44.6
97.06501	20.7
98.06110	10.3
105.07038	11.2
107.04899	18.7
108.04453	11.5
108.08085	9.7
109.02847	28.3
109.06494	17.1
110.06017	35.5
111.04421	27.0
112.03928	8.3
112.07612	13.7
113.02384	8.5
119.04908	11.5
120.08087	18.7
121.02833	12.4
121.06480	38.4
122.05997	19.4
123.04356	46.2
124.03926	13.6
124.07556	25.5
125.02250	12.4
125.05942	24.6
126.05518	16.7
127.03892	13.0
134.06020	20.8
135.04427	24.4
135.07945	12.1
136.07547	28.8
137.02319	7.9
137.05959	36.2
138.05482	23.5
138.09126	9.0
139.03854	28.7
140.07034	12.3
140.52879	9.4
148.07520	36.8
149.05972	100.0
150.06369	11.0
150.09094	11.5
151.03894	12.8
152.07069	42.4
153.05421	32.4
162.05524	18.1
162.09053	16.0
163.03929	14.6
164.07115	17.5
165.05464	47.7
166.08601	21.0
167.06979	34.3
176.07083	21.4
178.08534	22.0
180.06517	16.2
180.10190	12.7
181.04921	23.5
183.06483	28.5
186.07536	19.9
194.08104	21.5
195.08174	8.0
196.09747	12.9
204.06918	11.7
204.08595	57.7
205.06909	10.6
206.08188	15.4
206.10094	16.0
208.09682	17.9
212.09161	26.8
222.07645	19.9
222.09662	22.2
224.09117	16.9
226.10713	44.9
240.08629	52.9
242.10233	31.0
244.11771	10.2
258.09729	89.8
258.12234	10.1
258.13498	10.5
259.82993	9.5
260.11169	11.7
276.10745	32.3
351.62250	8.6
378.77127	9.3
438.15826	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	438.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67414	1.0
53.03932	1.5
55.01874	1.3
55.05501	2.4
56.51388	1.0
57.03421	2.1
59.04987	3.0
61.02915	2.2
62.06076	1.7
63.01259	1.0
67.05497	12.2
68.88895	1.1
69.03421	5.3
69.07059	2.6
70.06575	4.6
71.04982	3.3
71.70770	1.6
79.05472	2.1
79.81870	0.9
81.03415	3.2
81.07055	5.2
83.04955	9.0
83.08634	1.4
84.08131	1.1
84.35478	0.9
85.02896	12.6
85.06539	3.6
86.09682	2.6
91.02013	1.0
91.05462	2.7
93.07041	1.1
95.04958	2.4
95.08604	12.9
97.02876	3.8
97.06513	2.5
99.04421	4.9
105.07005	2.3
107.04910	1.6
107.08583	3.1
109.02876	2.5
109.06489	2.3
109.10144	100.0
110.10452	1.6
119.08555	2.5
120.08042	1.5
121.10155	2.5
123.08087	1.8
127.03862	6.6
133.10135	1.4
135.11659	1.6
137.09598	86.9
138.09918	1.6
141.09091	2.2
145.04897	2.6
147.08098	1.3
155.10646	9.9
165.09125	6.8
167.06935	1.3
181.12170	1.8
183.10141	45.0
223.13243	1.8
241.14326	81.5
242.14612	2.8
258.20770	1.4
259.15381	69.7
260.15759	2.0
438.22400	1.7
439.24277	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15186	1.9
55.01863	3.9
55.05502	7.2
57.03414	2.4
60.08116	2.6
65.36908	1.9
66.88131	1.9
67.05499	12.0
69.03423	15.6
69.07044	11.6
70.69460	6.5
70.69804	2.4
71.04964	4.3
78.16402	2.1
79.05473	13.6
81.03401	8.9
81.07043	100.0
83.08582	3.4
85.02893	30.8
85.03714	2.2
85.06503	3.8
87.00821	16.6
91.05459	8.3
93.06998	10.8
95.04973	2.3
95.08589	39.6
97.02886	18.3
97.06503	4.0
99.04453	6.0
99.08089	5.7
105.01852	34.5
105.07007	10.9
106.07301	3.4
107.08575	10.6
108.08881	2.5
109.02845	8.4
109.06470	3.8
109.10126	7.4
115.03875	2.8
117.07002	3.6
119.08517	12.8
121.10108	8.6
123.04404	3.6
127.03899	21.0
131.08505	7.8
133.10109	9.5
135.08012	2.3
137.05957	2.5
137.13231	23.8
138.06311	2.3
143.08521	3.9
145.04927	12.4
145.10098	6.4
146.10477	3.3
147.11678	5.0
149.13196	4.8
155.14302	15.7
157.10091	5.0
159.02776	2.8
159.11690	6.5
161.13226	2.9
164.14917	2.0
167.14093	2.2
169.10037	2.9
171.11551	3.6
173.05777	2.0
173.13240	6.5
177.12598	2.7
185.13190	2.7
186.13496	3.1
187.14803	4.8
188.15100	3.9
191.14331	3.1
199.14700	2.4
201.05455	4.8
201.16380	2.9
217.04944	5.5
223.66359	2.7
231.04935	9.0
239.07001	6.8
242.05586	3.1
249.06036	7.4
255.06389	3.4
257.04416	16.1
257.08032	4.8
259.16681	4.0
285.07547	11.7
286.08237	6.0
287.05457	3.3
308.85281	2.2
313.11630	2.3
380.93509	2.5
392.30075	5.9
420.29559	2.6
438.21567	5.9
438.30844	6.3
439.22885	45.5
439.32593	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	438.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
54.70887	1.0
55.01866	2.6
55.05498	4.9
57.03421	2.5
57.07064	1.5
58.99366	1.0
61.02910	2.3
65.03914	1.5
67.05495	8.3
68.99759	1.0
69.03410	11.7
69.07062	7.4
70.07375	0.9
71.04968	2.3
71.08618	50.5
71.70930	1.1
73.02881	1.6
76.46460	0.9
79.05486	6.9
81.03405	9.7
81.07050	10.0
82.07376	1.1
83.04958	2.5
83.08590	2.8
85.02887	18.0
85.06527	1.6
87.00822	9.1
91.03967	1.3
91.05469	7.7
92.05775	1.4
93.07049	7.3
95.04951	3.6
95.08600	9.6
96.08916	1.4
97.02875	11.3
97.06510	4.5
99.04449	5.5
99.08075	100.0
99.11816	1.0
100.08428	2.1
105.01817	7.5
105.07017	7.5
106.07323	2.0
107.04936	1.1
107.08563	7.2
108.08900	1.2
109.02862	6.3
109.06490	1.2
109.10145	4.9
110.10447	1.2
111.04424	1.2
111.08103	1.5
117.06986	2.9
119.04828	1.1
119.08569	8.7
120.08891	1.0
121.06516	1.8
121.10126	4.1
123.08069	1.6
123.11670	2.1
127.03896	12.2
129.07063	1.1
129.12747	13.5
131.08533	7.3
132.08893	2.3
133.10086	5.2
135.11684	3.4
137.05917	1.5
141.06868	1.1
143.08545	2.4
144.08888	1.7
145.04971	5.5
145.10107	6.7
147.04329	1.7
147.08055	1.2
147.11655	4.4
149.09587	1.8
155.14281	1.4
157.10101	2.8
159.02884	3.6
159.11664	4.4
161.13219	2.7
162.13597	1.3
163.03778	1.0
163.11075	1.2
163.14804	1.2
169.10130	1.3
171.11668	2.1
173.15346	63.0
174.15692	1.6
175.11249	1.1
175.14865	1.0
177.12704	1.4
183.11763	1.9
185.13147	1.7
187.11121	1.3
187.14854	2.9
191.14238	1.2
194.12244	1.1
199.14743	1.5
201.16397	2.5
213.16483	1.4
246.89198	0.9
259.09680	1.6
276.20261	2.1
392.30685	1.5
420.29572	1.4
421.31201	1.6
438.25549	1.3
438.30682	3.2
439.26816	1.4
439.31940	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	439.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02030	0.8
56.96302	1.5
56.96557	18.9
69.03425	0.9
70.06587	3.9
71.05023	1.1
71.69971	1.0
71.95237	1.1
73.02911	1.2
73.03329	0.7
81.03392	1.6
84.08140	0.8
84.96021	5.3
85.02875	3.9
91.05465	1.0
93.07011	0.8
95.04970	1.2
97.02886	1.4
98.97566	88.8
109.02858	1.1
110.97546	8.1
112.99129	3.3
116.98605	41.1
121.06524	1.9
123.04424	1.4
125.44125	0.8
127.00665	1.2
127.03868	1.1
128.98584	13.5
129.02249	1.5
131.00169	2.5
134.99637	12.6
136.15019	0.8
137.05960	0.8
140.00171	1.2
140.98572	0.9
143.00128	3.6
144.98106	2.3
145.01707	3.3
145.04965	0.7
146.99617	8.6
147.03285	5.9
147.07849	0.8
149.01231	2.0
149.05972	1.7
152.98555	1.6
155.04625	1.1
158.01225	0.9
158.99626	35.9
160.03717	1.0
161.00099	0.9
161.01178	5.2
162.99059	2.3
163.02776	3.1
165.00647	0.8
165.04323	5.5
170.99629	5.5
171.03291	1.9
175.02759	1.9
177.00682	36.9
181.09663	0.8
189.00656	4.9
189.04298	10.4
193.03740	1.4
194.47905	0.8
195.01674	2.0
200.02316	2.2
201.00764	1.9
201.04346	1.3
203.05840	1.1
207.01764	0.9
207.05374	4.3
219.01736	22.0
219.05278	1.5
225.04288	0.8
231.05312	4.1
237.02774	42.5
238.03061	0.9
249.06386	3.4
255.03886	2.4
260.04373	1.0
265.05978	1.1
291.07468	31.0
292.07782	0.9
309.08517	100.0
310.08896	2.1
332.09991	5.5
351.09592	16.2
363.09525	2.5
389.07578	2.4
421.10101	12.4
439.11185	45.3
440.11725	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.8
55.01854	2.4
55.05495	7.5
57.03424	10.1
61.91439	1.0
67.05492	15.1
69.03397	4.8
69.07063	5.5
70.15075	6.2
71.04964	4.4
79.05482	14.7
81.03401	59.8
81.07042	19.5
83.04963	10.1
83.08595	9.8
85.02892	8.5
85.06518	2.7
85.53807	1.0
91.05469	16.4
93.07026	11.1
95.04951	19.8
95.08594	10.6
97.02885	5.1
97.06499	3.1
97.10146	2.4
98.98448	64.6
99.08080	1.1
105.07011	15.0
107.04930	6.6
107.08571	8.0
109.02877	1.8
109.06487	5.7
109.10123	3.9
111.04433	3.2
111.08076	5.7
114.09119	1.4
115.05388	1.4
117.07020	1.5
119.04922	1.8
119.08563	11.6
121.06488	5.1
121.10129	7.0
123.08033	2.2
125.09560	1.4
127.03867	2.0
127.07540	1.6
128.06160	1.7
129.05464	1.6
129.06984	8.8
131.08557	8.3
133.06442	2.5
133.10092	6.8
135.08034	1.9
135.11603	2.0
136.99954	2.2
137.05988	1.6
137.09566	1.3
142.07732	2.3
145.10075	3.2
147.07973	3.7
147.11694	8.9
149.09628	5.6
151.07478	3.3
155.00999	17.8
157.10078	7.5
159.11729	1.3
161.09586	1.1
163.11195	2.5
163.14766	2.4
165.12741	1.8
173.02049	9.0
173.13281	1.1
175.11159	7.7
176.28593	1.1
187.14755	1.4
191.14268	2.1
191.17963	1.1
193.12216	26.2
194.12546	1.3
205.12282	1.8
207.13762	1.4
211.03682	1.7
211.13220	5.8
223.13417	1.5
229.04776	2.3
241.18005	3.5
249.14827	9.1
267.15872	100.0
268.16177	4.4
285.16956	7.4
403.15131	11.3
403.55817	1.3
411.97290	1.4
421.15762	1.1
439.18808	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94725	1.5
53.03936	4.4
55.01857	3.6
55.05487	5.6
57.03429	9.4
57.07061	2.3
66.80749	1.7
67.05502	9.4
69.03416	5.1
69.07041	4.6
70.06563	2.4
71.04970	2.2
71.70393	2.2
79.05490	9.1
81.03402	58.8
81.07037	14.9
83.04961	6.2
83.08593	8.4
85.02887	3.6
85.06525	1.9
86.09693	1.6
91.05469	12.9
93.07037	10.5
95.04943	18.1
95.08597	9.7
97.02855	3.8
97.06509	3.0
98.98454	29.9
99.08057	1.9
101.12187	1.9
105.07011	13.6
107.04934	5.3
107.08569	8.0
109.02850	2.9
109.06498	5.1
109.10143	3.2
111.08057	5.4
114.09219	1.6
115.05445	1.7
117.06963	2.1
119.04890	3.7
119.08569	11.4
121.06497	5.4
121.10083	7.8
123.08036	2.5
125.09606	2.3
127.03859	2.0
129.06966	5.6
131.08537	9.6
132.10291	1.9
133.06433	4.7
133.10097	5.7
135.08006	2.7
135.11685	1.9
137.05965	3.2
137.09612	1.8
143.08551	3.9
145.06448	1.7
145.10101	4.7
147.04369	6.7
147.08040	4.3
147.11653	6.2
149.09596	3.6
154.99931	1.5
155.00938	7.7
157.10094	5.4
159.08008	1.9
159.11646	3.6
161.13155	1.7
163.11171	2.8
169.10014	1.9
171.11804	1.7
173.02002	3.0
173.13257	2.5
175.11194	6.8
183.11752	1.8
185.13170	2.3
191.14365	1.8
193.12206	17.7
205.12216	2.9
213.77208	1.5
223.17023	1.7
231.13770	1.8
241.21562	2.2
247.05841	2.2
249.14839	5.3
267.15878	100.0
268.16235	4.1
290.62442	1.8
403.14969	4.9
439.19199	2.4
439.32050	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	439.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.9
53.00301	0.6
53.03945	2.7
55.01866	2.6
55.05506	16.0
57.03427	7.1
57.07064	2.2
58.16986	0.6
59.04987	3.7
65.03934	2.3
67.01162	0.7
67.05497	100.0
68.05832	1.3
69.03418	3.1
69.07063	8.0
70.36727	3.5
71.04979	5.4
73.02905	0.9
73.68210	0.7
79.05481	15.3
79.22697	0.7
81.03407	33.2
81.03880	1.7
81.07045	31.3
81.85940	0.7
82.07352	0.9
83.04977	7.3
83.08608	19.0
85.02896	18.3
85.03394	1.3
85.06531	3.0
91.05467	19.6
93.07032	17.4
95.04955	13.9
95.08586	14.6
97.02888	2.7
97.06535	4.9
97.07067	0.9
97.10165	2.2
99.04475	1.3
99.08095	2.9
105.07018	17.9
107.04958	2.5
107.08578	11.5
109.06528	3.3
109.10143	68.0
110.10463	1.6
111.04417	1.6
111.08065	9.8
113.06010	2.4
117.07034	2.9
119.08563	20.0
121.06562	1.3
121.10136	10.1
123.08087	1.5
123.11707	2.8
125.09626	2.1
129.06982	5.3
131.08560	8.2
133.06506	1.4
133.10104	9.4
135.08054	1.7
135.11690	3.6
137.09596	3.7
142.07765	1.5
143.08549	3.0
145.10086	6.2
147.08058	1.9
147.11664	11.0
149.09616	3.2
149.13257	1.9
155.08577	1.2
155.10701	4.1
157.10112	9.2
159.11697	4.4
161.09680	0.9
161.13275	2.6
163.03934	1.8
163.14882	0.7
165.09160	1.5
165.12814	1.4
167.10670	0.9
169.10083	1.3
171.11754	2.4
173.11745	17.1
173.13243	2.8
175.11172	8.0
175.14835	2.5
177.16405	1.2
183.11729	2.3
185.13304	1.8
187.14769	3.1
189.16431	1.0
191.14281	0.9
191.17978	1.1
193.12218	34.7
194.12602	1.0
197.13300	1.1
199.14851	2.5
201.16353	1.6
203.14320	1.2
203.18048	0.8
205.15880	0.9
211.13240	36.6
212.13573	0.9
213.16394	1.4
215.07021	1.3
229.14273	1.5
252.91862	0.8
253.19736	0.9
259.09708	2.5
262.60919	0.8
267.15906	1.6
277.10754	1.5
293.96570	0.9
392.52826	0.8
393.31619	1.6
403.29663	1.5
421.25940	1.4
421.30975	3.6
439.26865	47.3
439.32224	9.2
440.27350	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01850	4.2
55.05504	22.8
57.03424	7.7
57.07063	2.8
59.04985	4.2
59.05312	1.3
61.02909	1.7
65.03914	2.7
67.05493	100.0
69.03419	8.7
69.07058	14.7
69.63457	13.1
70.06570	1.7
71.04983	7.9
73.02879	2.7
75.25291	1.3
79.05477	25.6
81.03401	29.6
81.07042	45.0
83.04967	15.6
83.08613	20.2
85.02883	23.7
85.06532	5.4
91.05464	36.4
93.07024	38.6
95.04945	16.3
95.08588	25.9
97.02878	8.8
97.03446	1.3
97.06526	12.7
97.10136	4.5
99.04439	2.9
99.08079	9.6
105.07012	30.6
106.07346	1.7
107.04974	4.3
107.08578	32.4
109.02880	2.1
109.06494	5.1
109.10139	72.0
111.04426	3.6
111.08080	8.0
113.05994	3.3
115.05387	2.6
117.06956	6.9
119.08566	39.2
121.06476	4.8
121.10117	26.3
123.08036	5.1
123.11657	8.2
125.09572	2.5
127.03893	2.9
128.06165	2.0
129.06998	10.9
131.08543	19.6
133.06496	1.9
133.10110	20.7
135.08023	4.7
135.11700	13.5
137.09579	6.2
139.11140	1.6
139.92700	1.6
141.06989	2.8
142.07732	2.7
143.08508	7.7
144.09383	1.6
145.10101	17.8
147.04442	1.8
147.07997	5.3
147.11671	21.1
149.09586	6.6
149.13184	7.4
151.11122	4.0
153.09109	2.6
155.08496	4.2
155.10599	4.0
156.09329	3.0
157.10085	16.0
158.10915	1.5
159.11670	14.4
161.02319	2.0
161.09653	2.5
161.13269	7.3
163.03880	4.7
163.11150	4.5
163.14804	4.1
165.09053	3.5
167.08531	3.0
167.10738	1.9
168.09216	2.2
169.10094	5.7
171.11679	8.2
173.02306	2.7
173.09584	3.3
173.11691	16.2
173.13237	11.2
175.11166	9.6
175.14767	8.4
177.12674	3.1
177.16368	2.1
183.11606	6.6
185.06065	1.6
185.13219	8.6
187.11072	2.8
187.14780	10.2
187.61594	1.4
189.12727	3.2
189.16396	4.8
191.03517	1.5
191.14214	2.8
191.17934	1.8
193.12198	33.9
195.11661	4.6
195.13571	1.4
196.12558	1.6
197.13205	4.3
199.11203	1.8
199.14821	5.7
201.12698	2.7
201.16455	2.9
203.14308	5.0
203.17960	3.4
205.15842	5.4
207.11707	2.6
209.13187	3.8
211.13208	30.6
211.14836	2.1
213.16379	2.8
215.06969	4.8
215.14279	2.6
215.17854	1.7
217.12041	1.5
217.15829	3.0
218.12602	1.4
223.14816	1.8
227.17879	2.3
231.17511	1.6
235.16856	4.5
237.03044	1.5
243.17380	1.8
251.17955	2.5
255.17323	1.5
259.09573	4.6
269.18976	2.5
275.20001	4.0
277.10669	2.8
277.21652	10.7
287.19983	2.1
289.21664	3.6
301.21481	1.6
313.21878	1.9
339.23114	1.9
343.22699	1.7
349.25217	1.8
367.22375	2.0
385.23761	2.5
403.24768	2.7
403.30045	3.6
421.26062	2.5
421.30923	12.3
439.26688	53.0
439.32095	29.2
440.27023	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	2.1
55.01858	3.0
55.05505	18.4
57.03429	7.6
57.07063	2.0
59.04981	4.3
65.03923	2.7
67.05495	100.0
69.03416	5.2
69.07056	10.6
69.44388	11.2
71.04978	7.8
79.05484	15.9
81.03405	29.5
81.07046	36.7
81.07536	1.1
83.04983	7.7
83.08608	17.9
85.02895	16.1
85.06529	4.4
91.05469	26.1
93.07031	18.7
95.04960	15.0
95.08592	21.8
97.02871	2.7
97.06531	7.5
97.10160	2.0
98.21465	2.2
99.08096	5.5
105.07025	19.3
107.04930	3.3
107.08588	16.0
109.06506	4.0
109.10141	65.7
111.08054	10.4
113.06003	1.6
115.05473	1.9
117.07043	3.7
119.08571	26.5
121.06495	2.9
121.10130	13.7
123.08040	3.0
123.11722	4.5
125.09618	2.4
127.07558	1.3
128.06221	1.4
129.07001	6.2
131.08549	11.5
131.09444	1.1
133.06503	1.7
133.10089	11.5
135.08022	6.3
135.11653	5.5
135.85345	1.0
137.09583	5.4
142.07758	1.3
143.08571	3.6
145.10088	8.2
147.04430	1.3
147.08073	2.6
147.11653	11.6
149.09618	3.4
149.13271	3.0
151.11209	1.1
155.08556	1.4
155.10669	3.5
156.09267	1.6
157.10094	11.5
157.26102	1.3
159.07999	1.5
159.11659	8.3
161.09650	1.3
161.13261	3.7
163.03893	1.6
163.14812	1.9
165.12715	2.3
167.08481	1.3
169.10146	2.7
171.11655	3.9
173.02371	1.4
173.11737	16.4
173.13257	6.5
175.11169	9.2
175.14819	4.0
177.12743	1.8
177.16341	1.7
181.10158	1.3
183.11685	2.5
183.71870	1.0
185.13283	4.0
187.11185	1.6
187.14795	6.2
189.16380	4.1
191.14258	1.7
193.12222	32.2
197.13234	1.6
199.14777	2.9
201.12762	1.3
201.16365	2.1
203.14316	2.8
203.17958	3.3
205.15849	2.4
207.11720	1.1
211.13246	30.2
211.15117	1.7
213.16365	2.4
215.06981	2.3
215.17996	3.0
217.15854	1.4
227.17957	1.6
229.14236	1.2
259.09750	2.8
259.16946	1.8
260.10031	1.4
267.15918	2.8
277.10767	2.9
387.73337	1.0
393.31354	2.4
421.20517	1.1
421.26086	1.9
421.31055	5.5
439.26883	49.4
439.32242	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	439.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38231	2.0
53.03931	7.1
55.01865	5.0
55.05500	23.8
57.03418	6.1
57.07053	6.3
58.21695	1.9
59.04983	2.3
65.03935	3.6
67.05500	47.8
69.03421	21.8
69.07059	25.1
71.04969	6.9
71.08598	3.4
71.50659	3.6
71.51012	3.3
72.08932	2.1
77.03918	2.9
79.05486	39.7
81.03394	9.2
81.07047	64.1
83.04973	24.7
83.08614	14.4
85.02901	11.4
85.06524	10.3
87.04492	2.9
91.05466	48.5
93.07034	68.0
95.04955	21.2
95.08596	75.0
95.37544	2.5
97.02873	5.4
97.06522	18.8
97.10161	3.2
99.04437	6.7
99.08083	57.4
100.08407	3.3
103.05470	3.0
105.07021	82.8
107.04951	3.7
107.08578	79.2
109.02808	4.0
109.06517	12.2
109.10138	40.6
111.04415	5.0
111.08072	10.2
113.06014	2.8
113.09619	3.4
115.05437	4.4
117.06997	15.3
119.08562	100.0
120.08107	3.1
120.08868	2.5
121.06492	9.8
121.10127	50.6
123.08081	13.0
123.11668	11.9
125.09585	6.0
127.03905	6.3
127.07554	10.5
128.06241	4.1
129.06998	13.0
130.07735	5.3
131.04967	2.3
131.08546	55.7
133.06465	4.6
133.08556	3.7
133.10110	50.1
134.10434	3.0
135.08022	10.1
135.11673	22.8
137.09598	7.2
137.13220	2.7
141.06926	4.7
142.07770	7.2
143.08533	24.0
144.09264	5.1
145.06429	4.6
145.10112	71.9
146.10483	3.3
147.04446	3.6
147.08037	12.6
147.11668	57.1
149.05896	3.1
149.09605	8.9
149.13248	16.4
151.11220	4.4
154.07690	2.7
155.08551	8.8
156.09311	8.0
157.10120	36.3
159.08008	5.3
159.09212	2.3
159.11681	48.0
161.09540	12.3
161.13252	24.3
163.03880	6.2
163.07512	2.4
163.11214	10.7
163.14828	12.5
165.09106	8.0
165.12729	5.4
167.08505	3.6
168.09357	5.4
169.10149	15.3
170.10869	5.9
171.07970	4.1
171.11696	26.2
172.12344	2.7
173.02290	2.0
173.05968	2.1
173.09613	5.6
173.13219	43.7
173.15408	3.6
174.15704	3.0
175.11169	8.5
175.14812	20.3
177.12727	6.5
177.16356	6.4
179.08537	4.4
179.14275	3.0
181.10129	6.9
182.10884	3.6
183.09201	4.1
183.11629	19.6
184.12286	4.0
185.09621	4.3
185.13245	28.3
187.11171	6.1
187.14810	46.5
189.09038	2.2
189.12714	7.6
189.16367	13.6
191.12700	2.4
191.14226	12.1
193.10158	4.9
193.12201	3.8
195.11661	7.5
197.13260	17.4
199.11163	4.1
199.14786	27.4
200.15385	2.8
201.12738	6.5
201.16368	32.7
203.14297	11.0
203.17963	6.5
205.15811	10.0
207.11676	4.3
208.12468	3.6
209.13231	9.8
209.15117	2.3
211.14859	9.0
213.09088	2.5
213.12756	4.4
213.16330	14.8
215.07043	3.3
215.14362	5.2
215.17976	6.2
217.15833	9.2
219.13875	4.5
221.13220	3.9
221.15302	5.7
223.14799	7.5
225.16338	7.5
227.17992	5.9
229.15855	7.2
231.17442	5.2
233.13162	3.4
233.15341	3.5
235.14769	3.4
235.16872	6.0
237.16197	5.3
239.17876	3.2
241.15776	2.7
241.19511	5.2
243.17419	3.2
245.15382	2.1
249.16446	3.2
251.17999	5.1
253.19524	7.1
255.17490	3.3
255.20853	2.6
257.19077	3.3
259.09653	4.3
259.20642	4.4
263.17862	3.2
265.19485	3.5
269.18991	5.0
271.20529	3.9
273.18628	2.5
275.20117	2.5
277.10797	2.6
277.13220	12.8
277.21722	5.8
281.19092	3.4
281.22537	2.8
283.20605	2.6
299.19974	5.6
305.22546	3.7
309.22107	4.0
319.24399	2.7
323.23541	2.7
345.25500	2.3
349.25198	7.4
355.86157	2.4
363.26804	9.8
367.26309	11.8
375.30453	2.5
381.27765	5.2
391.29919	3.4
393.31454	10.9
395.29300	4.3
403.29947	12.5
411.32626	3.5
421.25620	4.3
421.30869	43.9
421.35974	2.7
422.31213	2.8
439.14859	3.1
439.26923	5.5
439.32043	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	14.6
61.33464	1.9
67.05492	18.1
69.03419	4.8
69.07055	17.0
70.00585	10.1
70.00995	3.9
79.05489	18.0
81.03414	2.4
81.06600	3.0
81.07043	38.0
83.04507	3.8
83.04967	55.2
83.08608	5.3
85.02863	2.7
89.25671	1.9
91.05455	17.9
93.07031	34.8
95.04964	14.2
95.08585	43.0
97.06495	6.0
97.10150	3.1
99.08073	2.2
105.07013	40.2
107.08575	59.6
109.06493	6.7
109.09501	2.6
109.10149	25.8
111.08033	3.9
117.06989	8.0
119.08567	40.9
121.06454	2.2
121.10141	28.0
123.08064	4.6
123.11703	11.5
125.09605	7.5
128.06226	2.1
129.07039	10.8
131.08560	26.3
133.10115	32.5
135.11674	16.7
137.05956	1.9
137.09602	4.8
137.13281	2.3
142.07790	2.3
143.08566	14.2
145.10091	31.3
147.11667	19.0
149.09532	3.2
149.13229	16.3
151.11185	6.3
155.08566	3.4
156.09306	3.3
157.10106	38.7
159.11647	23.9
161.13210	15.7
163.11209	3.3
163.14819	8.5
165.09088	2.0
165.12726	4.3
169.10043	6.0
171.11699	20.5
173.13255	33.6
175.14801	14.6
183.11693	5.2
185.13252	11.4
187.14781	12.6
189.12737	3.0
189.16339	8.9
191.14264	4.6
195.11589	2.7
197.13306	5.9
199.14812	27.9
201.16362	26.0
203.14334	4.5
203.17978	3.8
205.12148	2.3
205.15773	3.7
213.16365	18.5
215.17912	59.5
216.18219	3.1
217.15843	3.7
217.19548	2.8
221.13466	1.8
225.16373	7.0
227.17908	89.1
228.18285	6.0
229.19495	19.0
231.17509	2.9
237.16377	2.6
239.17937	17.6
241.19453	31.1
243.15002	2.0
243.20981	6.4
247.16891	5.5
251.17790	1.9
253.19518	4.4
255.21066	3.1
259.09598	2.5
259.17056	4.4
261.18481	31.6
267.20972	4.0
269.22534	3.7
271.14423	2.5
271.24408	2.0
273.18427	63.9
274.18671	2.2
275.19986	3.2
279.85251	1.9
281.22714	2.4
285.18503	5.7
287.20032	19.6
293.22366	2.2
295.24307	1.9
297.25739	4.6
311.27481	3.8
335.27170	8.2
339.23199	2.4
357.27887	2.9
363.30164	2.9
365.31967	3.8
375.30408	15.2
381.27811	29.5
393.31464	100.0
394.31711	6.0
421.30966	16.5
439.22559	5.3
439.32004	47.9
440.32300	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	14.6
61.33464	1.9
67.05492	18.1
69.03419	4.8
69.07055	17.0
70.00585	10.1
70.00995	3.9
79.05489	18.0
81.03414	2.4
81.06600	3.0
81.07043	38.0
83.04507	3.8
83.04967	55.2
83.08608	5.3
85.02863	2.7
89.25671	1.9
91.05455	17.9
93.07031	34.8
95.04964	14.2
95.08585	43.0
97.06495	6.0
97.10150	3.1
99.08073	2.2
105.07013	40.2
107.08575	59.6
109.06493	6.7
109.09501	2.6
109.10149	25.8
111.08033	3.9
117.06989	8.0
119.08567	40.9
121.06454	2.2
121.10141	28.0
123.08064	4.6
123.11703	11.5
125.09605	7.5
128.06226	2.1
129.07039	10.8
131.08560	26.3
133.10115	32.5
135.11674	16.7
137.05956	1.9
137.09602	4.8
137.13281	2.3
142.07790	2.3
143.08566	14.2
145.10091	31.3
147.11667	19.0
149.09532	3.2
149.13229	16.3
151.11185	6.3
155.08566	3.4
156.09306	3.3
157.10106	38.7
159.11647	23.9
161.13210	15.7
163.11209	3.3
163.14819	8.5
165.09088	2.0
165.12726	4.3
169.10043	6.0
171.11699	20.5
173.13255	33.6
175.14801	14.6
183.11693	5.2
185.13252	11.4
187.14781	12.6
189.12737	3.0
189.16339	8.9
191.14264	4.6
195.11589	2.7
197.13306	5.9
199.14812	27.9
201.16362	26.0
203.14334	4.5
203.17978	3.8
205.12148	2.3
205.15773	3.7
213.16365	18.5
215.17912	59.5
216.18219	3.1
217.15843	3.7
217.19548	2.8
221.13466	1.8
225.16373	7.0
227.17908	89.1
228.18285	6.0
229.19495	19.0
231.17509	2.9
237.16377	2.6
239.17937	17.6
241.19453	31.1
243.15002	2.0
243.20981	6.4
247.16891	5.5
251.17790	1.9
253.19518	4.4
255.21066	3.1
259.09598	2.5
259.17056	4.4
261.18481	31.6
267.20972	4.0
269.22534	3.7
271.14423	2.5
271.24408	2.0
273.18427	63.9
274.18671	2.2
275.19986	3.2
279.85251	1.9
281.22714	2.4
285.18503	5.7
287.20032	19.6
293.22366	2.2
295.24307	1.9
297.25739	4.6
311.27481	3.8
335.27170	8.2
339.23199	2.4
357.27887	2.9
363.30164	2.9
365.31967	3.8
375.30408	15.2
381.27811	29.5
393.31464	100.0
394.31711	6.0
421.30966	16.5
439.22559	5.3
439.32004	47.9
440.32300	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.32
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.2
55.01855	6.9
55.05497	22.0
57.03413	6.6
57.07062	4.3
65.03926	5.7
67.05492	57.1
69.03425	14.6
69.03726	2.7
69.07053	19.7
69.80487	3.0
69.80804	20.2
70.06556	3.1
71.04956	9.3
79.05476	44.0
81.03402	13.3
81.07041	68.4
83.04966	37.4
83.08604	14.7
85.02871	7.8
85.06518	9.0
87.53023	2.5
91.05466	45.5
93.07026	71.6
95.04946	16.7
95.08591	83.3
97.02872	6.4
97.06515	22.7
97.10154	4.4
98.20760	3.6
99.04445	3.1
99.08073	58.5
103.05437	4.1
105.07012	81.8
107.04938	4.5
107.08575	93.5
109.02876	4.1
109.06490	12.4
109.10130	57.7
111.04422	4.8
111.08072	13.9
114.33923	2.7
115.05457	2.6
117.07005	15.6
119.04942	3.1
119.07729	5.7
119.08554	92.4
121.06474	7.4
121.10126	57.8
123.08028	12.2
123.11678	18.0
125.09628	5.5
127.03909	5.5
127.07529	15.0
129.06987	15.3
130.07768	3.9
131.08546	51.1
133.06477	5.0
133.10114	58.1
134.10490	4.3
135.08034	12.5
135.11659	26.6
137.09596	16.4
137.13200	4.8
139.11078	2.8
141.06978	6.5
142.07765	9.6
143.08540	31.1
145.10091	59.8
147.08009	18.0
147.11662	46.5
148.11996	3.6
149.09615	9.8
149.13194	15.9
151.03883	2.8
151.07509	3.5
151.11182	7.8
155.08534	8.7
156.09344	5.3
157.10103	37.5
158.10849	5.0
159.08057	5.2
159.11690	59.4
161.02237	3.4
161.09584	9.9
161.13219	26.9
163.03923	6.9
163.11163	12.5
163.14787	14.3
165.09074	9.5
165.12753	5.0
167.08533	4.9
169.10088	20.8
170.10820	6.6
171.11667	29.9
172.12289	4.9
173.02341	5.9
173.09615	3.3
173.11772	3.6
173.13206	46.5
175.11121	9.2
175.14754	27.1
177.12669	7.2
177.16374	5.8
179.08487	2.7
179.14284	4.8
181.10146	6.7
183.11642	22.2
185.13228	35.9
185.48257	2.8
187.11174	8.1
187.14793	40.9
189.09224	2.9
189.12727	8.5
189.16380	18.9
191.14348	7.3
191.18024	4.5
193.10081	3.7
193.12178	8.9
195.11668	6.5
197.13200	23.3
199.11157	4.5
199.14801	30.0
200.15414	3.2
201.12709	4.8
201.16360	20.9
203.14282	16.1
203.17899	7.2
205.15826	12.0
206.46819	2.8
207.11668	3.6
207.13818	3.3
209.13226	9.4
211.13118	5.6
211.14819	10.8
213.09056	3.7
213.12593	4.0
213.16322	14.1
214.17952	5.0
215.06987	6.4
215.14345	7.5
217.15910	12.9
219.17397	3.7
221.13335	5.2
221.15329	6.5
223.14793	9.1
225.16315	8.2
227.14343	4.0
227.17917	6.1
229.15955	4.2
231.17458	4.0
233.15294	4.1
234.13875	3.3
235.14787	4.1
235.16917	8.6
237.16473	6.2
239.17917	7.5
241.16060	3.0
241.19473	5.0
249.16295	5.4
251.17941	7.3
253.19484	7.3
254.13408	3.0
255.17314	5.2
257.19095	5.0
259.09659	9.6
259.20480	4.1
267.20871	5.1
269.19016	7.2
275.20224	3.3
277.10632	8.7
277.21753	3.6
279.21249	3.8
283.20468	4.6
291.21066	3.8
297.22232	4.2
299.20007	11.8
321.25809	3.9
339.26840	3.9
349.25110	8.0
353.28180	3.8
363.26685	15.2
367.26318	13.2
381.27869	14.8
393.31485	14.9
403.29825	17.8
421.25677	6.2
421.30927	64.9
439.26700	11.4
439.32004	100.0
440.32251	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	439.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.3
55.05502	8.9
57.07074	8.5
67.05492	20.5
69.07057	17.6
70.78058	2.1
71.08619	1.4
79.05488	9.5
81.07043	73.2
83.08606	11.5
88.42712	1.0
91.05460	4.2
93.07020	12.9
95.08589	100.0
96.08933	1.3
97.06480	1.2
97.10152	4.7
105.07005	9.9
107.08585	13.5
109.10137	39.1
109.10876	2.1
111.11743	2.2
112.40913	1.0
117.06951	2.1
119.08549	10.1
121.10140	10.9
123.08070	1.5
123.11684	37.0
125.12296	1.1
125.13225	2.6
129.06960	1.8
130.30548	1.3
131.08519	8.8
133.10097	6.8
135.11662	9.9
137.13229	57.3
143.08543	3.5
145.10104	11.8
147.11697	6.9
149.13248	7.1
151.14813	4.8
155.08548	1.5
157.10074	6.1
159.11688	8.1
161.13229	4.0
163.14757	1.5
169.10121	2.2
171.11662	9.5
173.13225	8.8
175.14810	7.5
177.16342	2.1
179.17915	10.5
185.13211	6.9
187.14830	9.2
189.16299	3.2
191.17938	3.1
192.01802	1.2
193.19487	1.3
195.99492	1.2
199.14838	9.1
201.14760	1.4
201.16380	7.7
203.10645	1.4
203.17958	4.8
213.16310	12.8
214.16565	1.5
215.18007	8.7
217.19435	2.0
219.13791	1.3
227.17859	4.0
229.19553	1.8
241.19417	9.3
243.21072	8.4
245.15359	3.2
255.21053	5.7
257.22641	2.4
259.16931	9.2
261.18564	2.1
269.22650	6.2
287.20053	3.3
315.23029	1.5
393.30539	1.5
393.35114	21.8
394.35513	1.3
407.67636	1.5
439.36230	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	439.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.2
57.07062	3.4
58.35620	1.1
65.03951	1.6
66.31761	1.2
67.05497	10.9
69.07063	16.0
69.50323	3.7
69.50742	8.0
79.05462	8.0
81.05488	1.3
81.07043	25.0
83.08616	8.4
91.05442	7.9
93.07023	21.9
95.08590	50.7
95.09193	3.0
97.10147	4.5
105.07007	24.2
105.47873	1.1
107.08575	37.8
109.10139	34.0
109.10876	2.5
111.11739	2.5
119.07735	2.7
119.08563	44.5
119.09420	2.9
121.10118	34.3
123.11684	11.7
131.08516	3.6
132.27991	1.2
133.10107	35.2
133.11136	2.0
135.11671	24.7
137.13208	6.3
139.07529	2.2
143.08543	1.6
145.10114	5.2
147.11658	31.6
149.13225	14.0
153.09082	5.4
157.10088	1.3
159.11621	5.9
161.13232	22.8
163.14789	14.6
163.29924	1.2
165.09250	1.3
167.10641	2.2
171.11662	1.5
173.13237	4.3
175.14798	12.3
177.16373	7.5
179.10660	1.7
187.14758	3.5
189.16351	52.8
190.16631	2.0
191.17915	67.3
192.18242	2.2
193.12009	1.4
201.16370	14.0
203.17928	100.0
204.18195	4.2
204.19986	1.6
205.19440	14.7
207.13635	1.6
207.17255	2.1
214.91808	1.4
215.17963	5.7
217.15982	1.6
217.19469	14.5
221.18985	5.4
229.19414	2.0
231.17476	2.6
231.21007	5.4
235.16872	4.9
241.19539	2.1
245.22600	1.5
247.16890	3.7
249.18498	17.3
261.18439	2.1
269.22684	1.3
393.35211	9.2
439.35693	24.6
440.36087	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.05501	10.3
57.07072	10.1
65.03923	1.8
67.05495	24.4
69.07059	18.9
70.66024	1.3
70.66363	3.1
71.08638	2.1
79.05482	11.8
81.07043	72.7
83.08610	9.5
85.10147	1.2
91.05456	7.9
93.07027	21.5
95.04970	1.4
95.08592	100.0
96.08945	1.4
97.06488	1.8
97.10164	5.2
105.07015	14.8
107.07903	2.0
107.08578	26.7
109.10145	48.7
110.10536	1.2
111.11716	1.5
117.06956	2.8
119.08568	32.2
121.10124	23.1
123.11687	40.9
131.08531	9.4
133.10112	16.1
134.83379	1.0
135.11679	14.3
137.13235	44.6
143.08565	3.5
145.10107	15.0
147.11653	14.0
148.12006	1.2
149.13248	11.0
150.13551	1.2
151.14752	1.6
153.09094	1.5
157.10136	3.2
159.11674	13.6
161.09604	1.4
161.13226	9.4
163.14780	6.2
171.11681	4.4
173.13223	10.6
175.14786	8.5
176.15311	1.0
177.09085	1.9
177.16380	6.7
179.17958	10.2
185.13245	3.2
187.14772	5.6
189.16402	12.1
189.18091	1.7
191.17897	15.1
192.18277	1.2
193.12309	1.2
199.14728	3.2
201.16336	8.7
203.17934	24.2
205.19542	5.8
213.16328	10.6
215.17926	68.4
216.18291	2.8
217.19498	4.4
221.19260	1.3
227.17886	2.4
229.19481	2.5
231.17422	4.7
241.19492	1.9
243.21075	6.2
245.22626	3.0
247.16956	1.9
249.18385	4.2
255.21077	3.0
257.22675	3.9
259.16913	32.8
261.18472	36.2
262.18787	1.7
269.22485	3.4
271.24081	1.3
273.18515	1.3
275.19989	1.3
283.24393	1.0
287.20093	3.4
289.21622	4.9
301.21597	2.3
303.23138	3.5
315.23059	3.8
372.81958	1.1
393.35306	7.1
397.10281	1.1
439.35938	28.8
440.35965	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.05499	13.0
57.07053	5.7
67.05493	23.1
69.07054	20.8
69.38094	24.8
69.76277	2.0
79.05502	10.8
81.07044	50.9
83.08595	9.4
91.05473	10.6
93.07036	34.9
93.99181	2.0
95.08594	100.0
97.10149	4.6
105.07012	29.6
107.08581	57.4
109.10138	56.9
111.11716	2.6
117.06924	2.4
119.08568	64.6
121.10137	48.2
123.11690	17.1
131.08578	10.0
133.10103	35.5
135.11659	24.4
137.13254	10.5
142.26761	2.2
145.10112	14.3
147.11659	29.4
149.13217	15.8
151.14735	2.5
153.09038	5.3
157.10141	3.9
159.11678	14.8
161.13225	16.7
163.14795	24.8
169.09999	2.4
171.11655	3.3
173.13228	10.6
175.14822	16.2
177.16391	17.9
185.13171	3.6
187.14821	7.8
189.16370	32.0
191.17937	42.0
192.18237	2.3
199.14839	3.1
201.16422	10.4
203.17923	52.0
205.19522	16.6
207.17462	2.9
213.16388	2.8
215.17950	8.8
217.19525	20.8
221.19064	2.7
227.17940	4.9
229.19489	4.9
231.21039	5.6
231.23770	2.1
235.16954	5.5
241.19560	2.9
243.21039	4.7
245.22610	3.0
247.16951	7.1
249.18459	6.5
255.20996	2.8
261.18515	5.0
269.22504	4.2
273.18536	2.1
275.63385	2.4
283.24121	6.3
287.20145	3.4
289.21643	3.0
297.25555	4.0
301.21680	5.0
315.23123	3.4
329.24808	5.1
343.26215	3.1
393.35199	21.4
398.53925	2.3
421.34882	4.8
422.28165	2.1
439.35980	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34762	4.7
56.05034	10.5
58.06590	10.8
59.04984	6.2
59.78212	4.8
60.04516	29.5
61.70868	5.1
67.05499	5.4
69.03403	11.4
69.54732	41.8
70.02950	8.0
70.06586	9.0
71.04991	4.8
72.08098	4.4
73.02920	5.6
74.06063	12.5
76.04003	26.7
76.07632	98.8
77.09709	4.6
79.05491	11.0
80.04997	10.2
81.03404	9.8
81.07041	10.8
83.04958	6.1
84.04491	20.0
85.02900	23.4
86.06054	21.3
91.05450	10.7
93.07047	9.6
94.06550	7.3
95.04959	18.4
96.04461	4.9
96.08128	5.6
97.02882	13.6
98.97507	4.9
100.03979	8.5
102.05519	22.2
105.07007	7.8
106.06576	5.0
108.08123	15.4
109.02897	4.9
109.06498	14.0
110.06051	14.1
112.07627	7.3
121.06477	30.7
122.06017	19.6
123.04431	16.1
128.75127	5.2
131.04939	6.5
133.06476	8.0
134.06020	8.9
136.07581	21.8
136.88380	5.6
137.05948	24.2
139.25906	5.9
146.05975	9.7
149.05963	100.0
150.06294	6.9
150.09129	6.9
153.05412	9.5
154.08620	6.6
159.92986	5.5
160.07510	5.8
162.09148	5.6
164.07043	26.2
165.05412	23.5
167.07011	99.9
174.09216	4.9
178.08656	15.3
179.06921	6.9
180.10152	10.0
182.08080	6.0
183.06548	13.9
186.07628	7.8
196.09676	22.4
204.08734	11.2
206.08133	30.8
206.10085	9.8
207.06570	9.8
207.08517	10.1
220.08211	4.6
222.09657	17.6
224.09134	28.3
226.10759	11.7
242.10210	35.9
253.12439	5.6
260.11264	37.5
440.16885	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47591	0.6
56.96555	14.5
61.02918	0.7
69.03412	0.5
69.51099	2.8
69.51531	2.2
73.57198	0.5
74.97594	0.7
84.96018	5.8
97.02874	0.8
98.97564	27.1
110.97556	4.9
112.99105	2.2
116.98601	9.2
119.01899	1.1
124.99091	6.4
126.27853	0.5
127.03851	0.6
128.98605	4.1
131.00122	2.5
134.99625	2.5
140.98555	4.7
142.96521	0.8
143.00137	18.0
144.98056	0.9
146.99611	1.1
149.01190	1.2
150.60629	0.6
155.00101	1.1
157.01724	0.6
158.99614	12.7
160.51384	0.7
161.01201	12.1
161.02580	1.2
162.99120	0.7
166.01750	0.6
169.01790	0.7
169.51918	1.1
170.01723	0.9
170.99631	0.7
173.01169	2.3
174.99074	1.3
175.01897	0.8
177.00690	11.2
178.02397	0.7
182.99638	0.8
184.02374	0.9
189.00653	1.3
191.02290	0.7
195.01723	1.1
201.00699	1.7
211.02946	0.7
219.01669	11.5
220.03349	2.3
220.53548	1.7
221.03278	1.4
221.05177	0.9
229.03804	1.1
229.53947	1.6
232.03419	0.8
237.02774	100.0
238.03183	2.9
239.06042	1.0
241.03879	1.1
245.05003	0.7
255.03833	99.6
256.04156	2.4
260.04419	2.9
263.06134	1.0
265.02301	2.5
273.04852	3.5
275.06061	1.7
278.05481	2.3
279.03815	7.3
283.03436	2.2
291.03772	11.3
292.05432	2.1
292.55469	1.5
293.05505	2.2
297.04922	2.4
303.03937	1.3
305.05505	1.1
309.04910	6.4
312.56503	0.8
313.06509	0.6
315.03732	5.9
316.03918	0.6
317.05368	2.1
321.04898	5.2
323.06543	1.0
333.04865	7.4
335.06442	2.0
339.05762	0.7
351.05890	3.1
363.05893	4.0
373.08044	2.3
373.58234	1.9
374.08313	2.8
381.06973	26.9
382.07642	0.9
399.08044	42.7
400.08228	1.6
417.09079	0.7
422.09366	2.7
441.09106	24.1
442.09607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84724	0.8
56.96560	13.0
61.02909	0.9
61.81921	0.9
71.69705	1.6
74.81224	0.9
84.96024	6.0
85.02899	1.3
97.02921	1.0
98.97573	24.9
101.00903	1.0
110.97533	5.1
112.99136	2.4
116.98607	10.9
119.01918	0.9
124.99122	4.8
128.98595	4.4
131.00165	3.0
134.99635	2.2
140.98604	5.1
141.61461	1.0
142.96506	1.2
143.00153	17.9
143.01181	1.3
144.98079	1.1
145.03432	1.2
146.99605	1.9
148.48212	0.8
155.00145	1.0
155.01955	1.1
157.01736	1.2
157.03426	1.5
158.99640	11.3
161.01215	14.4
161.02623	1.6
161.02895	1.3
169.01738	1.4
169.51891	1.4
170.01744	1.3
170.99666	2.9
173.01202	2.1
175.51833	1.2
177.00700	11.0
179.02251	2.1
189.00691	2.4
195.01698	2.4
200.04141	1.2
201.00742	3.7
211.02762	1.3
219.01746	11.3
220.03433	3.2
220.53532	2.5
221.03250	1.8
221.05154	1.1
229.03938	2.5
229.53964	1.9
237.02791	92.5
238.03047	1.6
239.03633	1.0
239.06042	1.5
242.95706	1.0
255.03848	100.0
256.04254	1.9
260.04468	3.5
263.06247	1.4
265.02307	2.5
273.04907	3.7
278.05484	3.4
279.03790	7.1
283.03284	2.2
291.03720	8.2
292.05344	1.2
292.55576	3.2
293.05475	2.5
297.04855	3.5
301.56119	1.1
303.03510	1.2
309.04874	4.4
315.03854	5.9
317.05359	1.4
321.04761	4.5
333.04788	7.0
335.06512	1.6
335.94431	1.0
351.06055	2.3
363.06049	2.1
373.08270	3.1
373.58286	4.8
374.08066	3.4
381.06927	20.9
399.08075	34.3
400.08112	1.0
417.08777	0.9
422.09637	2.6
441.03018	1.6
441.09213	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	441.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01875	6.9
55.02087	1.2
55.05503	16.7
57.03426	3.6
57.07067	2.7
64.22879	1.4
65.03949	1.8
67.05496	22.1
69.03426	3.3
69.07064	13.1
70.43647	5.3
71.04972	3.5
79.05486	22.8
81.03393	3.0
81.06599	2.4
81.07047	28.5
83.04979	4.5
83.08612	8.1
85.02875	2.6
85.06527	2.7
91.05463	15.4
93.07035	18.2
95.04967	5.3
95.08595	28.9
97.06530	2.9
97.10172	5.6
98.21406	1.5
99.08085	4.5
104.42056	1.2
105.07014	21.3
107.04942	4.5
107.08583	27.1
109.02922	1.4
109.06522	3.9
109.10144	15.5
111.08081	4.8
115.04025	1.2
115.05450	3.9
117.07012	9.6
119.04962	1.4
119.08566	22.7
121.06490	13.0
121.10123	13.7
123.08048	5.9
123.11679	3.7
125.09628	3.7
128.06236	4.5
129.07008	16.2
131.04903	10.2
131.08546	17.4
133.06477	7.3
133.10135	14.9
135.08064	5.8
135.11705	8.1
137.05957	1.5
137.09642	2.5
137.13268	1.2
141.06953	7.5
142.07750	2.0
143.08548	13.7
144.05727	5.6
144.09337	1.3
145.06468	83.6
145.10112	11.6
146.10605	1.5
147.08040	7.3
147.11665	9.7
149.09616	3.9
149.13222	4.0
151.11194	2.8
155.08560	8.2
157.06480	10.9
157.10062	8.7
159.08078	10.3
159.11658	8.2
161.05980	5.4
161.09590	4.0
161.13289	5.6
163.03960	2.1
163.11165	1.8
163.14822	2.6
165.07091	1.6
165.09113	8.1
165.10457	1.3
167.08589	3.6
168.09296	2.3
169.06474	8.0
169.10133	5.8
170.07265	1.7
171.08018	18.2
171.11707	5.4
173.09616	2.8
173.11900	1.6
173.13234	6.8
175.07385	1.5
175.11238	2.5
175.14816	5.7
177.12718	2.3
177.16389	1.9
179.08575	2.1
180.09286	1.9
181.06502	3.1
181.10120	5.1
183.08072	9.4
183.11708	4.4
184.12350	1.7
185.09604	9.5
185.13225	7.4
187.11224	2.7
187.14745	8.3
189.12756	1.7
189.16382	4.7
191.14320	2.0
191.17822	1.5
193.10132	2.9
195.08028	6.4
195.11678	15.4
196.12047	1.5
197.09528	6.9
197.13243	8.9
199.11194	3.0
199.14838	4.2
201.12766	3.1
201.16400	4.4
203.14287	4.0
203.17850	1.5
205.12193	1.5
205.15875	4.1
209.09625	4.0
209.13214	2.6
211.11205	5.1
211.14760	2.8
213.12823	2.6
213.16420	2.3
215.14330	1.9
215.17908	3.7
219.13782	1.6
223.11177	4.5
223.14825	1.7
225.12825	2.3
225.16566	2.1
227.14275	10.9
227.17798	2.2
229.15948	1.9
235.11124	2.1
235.14919	1.8
237.12648	9.3
243.13779	2.0
255.13765	15.2
257.15414	3.0
273.14816	35.4
273.17682	2.4
281.15317	2.9
283.16977	3.3
287.16318	2.7
293.15271	2.3
295.16992	2.4
299.16461	2.2
311.16406	5.7
321.22113	1.9
325.17993	3.1
331.20520	3.6
339.23096	8.8
349.21585	36.4
350.22122	2.3
367.22632	57.3
377.24869	1.6
385.23721	8.0
387.23160	2.6
395.25662	2.2
395.33182	2.2
405.24002	14.1
405.31747	2.9
406.24957	1.6
423.25174	6.0
423.32645	9.2
441.26337	100.0
441.33469	27.5
442.26480	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	441.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95974	1.5
53.03936	3.3
53.62303	1.4
55.05506	15.1
55.05742	2.6
57.03406	2.3
57.07067	4.0
59.04995	1.9
65.03954	1.7
67.05487	27.0
69.03411	11.3
69.07044	16.8
71.04966	2.5
71.70852	3.1
79.05474	23.1
81.03389	7.1
81.07039	46.7
82.07394	1.6
83.04950	4.4
83.08580	7.7
85.02884	4.7
85.06514	2.8
87.75772	1.8
91.05456	32.1
93.07023	55.0
93.07585	3.5
95.04948	7.6
95.08585	55.4
95.09190	3.5
97.02917	3.4
97.06499	7.3
97.10130	3.4
99.04465	2.8
99.08064	17.7
105.07006	78.2
106.07281	1.9
107.08569	70.4
109.02850	6.6
109.06503	8.3
109.10130	35.3
111.08043	5.6
111.11667	2.6
113.05952	2.4
115.05473	2.2
116.06264	1.8
116.70039	1.6
117.06974	13.4
117.31842	1.6
119.08555	100.0
120.08923	2.4
121.06470	8.1
121.10122	46.5
123.08043	7.1
123.11696	11.7
124.81327	1.7
125.09597	2.4
127.03855	7.5
127.07550	1.9
128.06169	2.6
129.06987	9.6
130.07764	3.5
131.08543	57.8
133.06447	2.5
133.10097	60.8
135.08046	8.5
135.11664	25.7
137.09583	6.8
137.13234	3.2
139.11171	2.1
141.07002	2.1
142.07745	6.4
143.08545	22.5
144.09308	3.6
145.06416	1.9
145.10092	55.3
147.08026	6.3
147.11655	73.2
149.09618	7.4
149.13206	16.8
151.11179	4.6
155.08519	6.0
156.09303	4.3
157.10089	23.9
158.10837	5.7
159.08043	3.8
159.11658	49.6
159.12970	3.1
161.09608	10.1
161.13243	24.1
162.13594	1.7
163.03873	4.1
163.11128	7.0
163.14821	17.8
165.09137	2.8
165.12776	2.2
167.10677	2.6
168.09262	1.9
169.10078	11.3
170.10860	3.5
171.11676	20.7
172.12375	2.5
173.09624	4.0
173.13219	48.4
175.11217	4.7
175.14801	27.9
177.12720	5.0
177.16315	11.1
183.11617	12.6
184.12335	2.0
185.13216	21.8
187.11133	2.7
187.14781	52.6
189.12706	4.9
189.16336	15.9
191.14256	17.2
193.15851	2.3
195.11664	4.3
195.13631	1.9
196.12405	1.9
197.13268	10.6
199.14760	21.1
201.12717	9.7
201.16338	62.8
202.16669	3.1
203.05194	3.9
203.14272	26.2
203.17921	13.2
205.15840	9.2
207.17387	2.7
209.13200	3.7
211.14743	9.9
213.03963	2.2
213.16354	13.8
215.14346	3.0
215.17888	12.9
217.15855	6.7
217.93655	1.8
219.17497	3.3
221.13242	3.0
221.15282	19.2
223.14833	3.5
225.16389	5.4
227.14273	2.0
227.17960	4.3
229.15848	6.0
229.19527	3.5
231.17366	4.1
235.16945	2.8
237.16304	2.7
239.16257	3.4
239.18211	2.2
241.19438	4.4
243.17429	10.7
243.21158	1.9
251.17857	3.0
253.19540	5.6
255.21065	4.8
257.19165	1.8
259.20584	3.1
261.18356	7.0
263.18100	2.9
265.19519	3.5
267.20999	2.9
269.22333	1.8
271.20490	2.1
273.22141	3.9
277.19370	2.6
283.20459	4.4
289.28235	1.7
297.22144	1.8
301.21637	4.6
321.25406	2.2
351.26624	3.5
363.26608	2.6
365.28604	1.8
369.27689	11.9
387.30353	2.7
393.31467	6.6
395.32635	3.2
405.31387	20.9
411.32440	8.8
423.11240	1.8
423.32544	30.1
424.32825	2.5
441.24695	18.2
441.33545	96.0
442.34018	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	441.336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	19.8
57.07079	2.3
61.97500	1.4
65.03938	2.7
67.05500	17.6
69.03426	2.9
69.07054	19.1
70.51462	6.4
79.05479	21.3
81.03427	1.9
81.07041	48.6
82.07389	1.7
83.04942	1.7
83.08606	9.0
85.06538	1.6
91.05468	25.6
91.76014	1.5
93.07035	49.9
94.07360	2.7
95.04972	5.1
95.08594	60.4
95.09200	3.1
96.08910	1.8
97.10172	3.3
99.08095	3.6
103.05424	2.5
105.07013	62.0
106.07369	2.7
107.08576	62.7
108.08913	2.8
109.06528	3.7
109.10152	27.4
110.10510	2.4
111.08047	2.7
117.07001	9.3
119.08567	80.1
120.08936	3.3
121.06495	5.3
121.10129	46.8
123.08053	3.8
123.11705	10.4
125.09657	2.8
127.03875	1.9
128.06236	1.8
129.07021	4.2
130.07780	3.6
131.08553	40.5
133.10107	87.4
134.10481	2.9
135.08069	2.9
135.11678	22.2
137.13225	3.1
142.07709	2.2
143.08488	8.1
144.09338	2.2
145.10104	45.9
145.11230	2.9
146.10664	2.9
147.08003	3.0
147.11674	37.6
148.12091	2.4
149.09596	3.7
149.13229	17.6
153.09061	2.3
155.08507	2.0
156.09305	2.0
157.10097	13.2
158.10912	4.2
159.08058	2.3
159.11681	36.3
160.12282	2.2
161.09615	4.4
161.13235	22.8
163.07535	2.3
163.11169	4.2
163.14801	16.5
165.09163	7.4
169.10107	3.0
171.11676	10.8
172.12398	1.7
173.09819	1.8
173.13248	37.6
174.13695	2.3
175.14801	100.0
176.15193	4.1
177.09125	3.1
177.13002	3.3
177.16365	89.8
178.16730	2.3
179.10733	3.3
183.11658	4.2
185.13234	9.6
187.14795	37.1
187.16333	2.9
188.15181	3.0
189.16370	23.1
191.10654	2.5
191.14262	8.5
191.17952	8.7
193.15825	3.3
197.13312	3.5
199.14841	9.6
201.16362	97.6
202.16730	3.4
203.14389	6.1
203.17928	49.2
204.18259	3.6
205.15895	6.0
205.19534	1.7
211.15022	2.4
213.16402	7.9
215.14369	2.4
215.17996	7.1
217.15932	4.9
217.19490	2.4
219.13863	6.8
219.17371	19.0
221.15298	7.4
227.17924	3.3
229.13441	1.6
229.15929	4.4
229.19507	4.0
231.17407	3.3
233.15211	2.6
237.14941	5.9
245.15424	2.8
247.16910	30.7
248.17450	2.1
253.19487	1.6
255.21227	2.7
261.18463	1.6
265.19690	1.7
267.21024	1.6
301.13547	1.8
367.22470	1.9
369.28140	2.8
377.32104	3.9
393.31442	4.3
395.33072	6.0
405.31436	4.7
411.32785	4.8
423.32535	30.0
424.32819	5.2
441.24594	2.7
441.33643	55.1
442.33899	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3357
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
50.34027	2.0
52.85854	2.3
53.03926	3.2
55.05495	16.3
57.07068	2.4
67.05493	19.6
69.07054	18.5
77.77086	2.0
79.05481	25.0
81.07047	46.5
83.04955	16.9
83.08595	7.7
83.14121	2.6
85.06527	2.6
87.16448	2.4
91.05458	35.7
93.07029	61.4
95.04940	6.8
95.08593	67.6
97.06532	2.7
97.10155	3.8
99.08079	41.0
105.07014	79.4
107.08576	76.2
109.06514	3.4
109.10143	29.1
111.08071	5.8
116.06157	2.4
117.06987	10.5
119.07732	5.4
119.08566	100.0
120.08893	3.8
121.06467	4.6
121.10129	51.2
123.08047	7.2
123.11678	10.0
125.09573	3.5
126.31892	2.3
127.07539	10.8
129.06937	6.4
130.07693	3.0
131.08549	67.5
132.90492	2.2
133.10107	61.4
135.08084	3.9
135.11668	25.7
137.09624	4.1
142.07787	3.7
143.08534	16.9
145.10109	61.1
147.08046	5.5
147.11659	75.3
149.09563	2.8
149.13203	16.5
155.08516	2.7
156.09314	2.9
157.10100	23.5
158.10794	4.3
159.11684	51.2
161.09587	7.7
161.13240	25.7
163.11139	5.4
163.14790	16.0
165.09103	3.0
169.10089	6.4
170.10939	3.1
171.11684	14.2
172.12222	2.9
173.11823	4.7
173.13220	42.9
174.13736	2.4
175.11172	4.2
175.14775	39.9
177.16373	45.3
179.14301	2.7
179.99146	2.6
183.11583	5.6
185.13210	14.5
187.14796	61.1
189.12701	2.5
189.16331	27.7
191.14233	9.2
195.11655	5.3
197.13068	3.6
199.14754	15.6
200.13409	2.7
201.12659	4.2
201.16357	72.9
202.16814	3.7
203.14276	8.1
203.17914	13.0
205.15871	8.7
209.13364	3.0
211.14796	8.3
213.16360	13.2
215.14297	5.6
215.17937	7.4
217.15860	6.2
217.19493	2.6
219.13794	4.0
219.17404	9.3
221.15390	12.3
225.16312	4.2
227.17909	5.7
229.15822	3.7
231.17342	4.2
239.17851	3.8
241.19383	3.1
243.17487	4.6
247.16998	4.4
293.22705	2.9
321.25790	3.0
365.28357	5.8
369.28021	4.1
377.32086	3.7
395.33115	11.9
405.31427	18.1
411.32523	8.5
423.32513	37.9
441.24835	3.3
441.27319	2.8
441.33716	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3357
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
53.03946	3.2
54.96875	2.5
55.05497	13.3
57.07059	7.2
67.05485	22.7
68.04717	2.7
69.07054	15.4
70.36710	6.9
70.37105	8.2
79.05486	21.6
81.07050	40.2
83.08592	8.3
85.06538	6.3
91.05464	33.8
93.07030	58.6
95.04967	6.0
95.08588	55.5
97.06514	7.1
97.10133	3.3
99.08087	30.9
99.94868	2.7
105.07024	54.4
107.08576	88.8
109.06516	3.7
109.10145	42.2
110.92225	3.2
111.04528	2.8
111.08110	6.1
111.74614	2.9
115.05457	3.2
117.07009	12.3
119.08559	77.3
120.08942	3.9
121.06512	6.3
121.10129	55.5
121.51307	2.6
123.08054	5.4
123.11715	18.8
125.09564	3.8
127.07529	3.8
128.06200	4.6
129.07010	11.2
130.07881	2.9
131.08542	47.4
133.10107	53.2
135.08041	4.3
135.11664	25.3
137.09502	6.6
137.13243	4.1
139.11252	3.6
142.07764	7.2
143.08543	27.2
144.09296	4.3
145.10098	48.8
147.08049	6.1
147.11668	73.8
147.12846	4.2
149.09581	3.8
149.13211	14.7
151.11189	4.5
153.12785	3.0
155.08566	8.9
156.09306	6.6
157.10101	35.4
159.11685	49.7
161.09644	4.5
161.13234	29.0
163.11186	5.6
163.14833	10.2
165.09143	9.4
165.12761	5.6
169.10126	11.9
170.10899	5.4
171.11681	25.7
172.12486	2.8
173.13246	42.1
175.11154	3.1
175.14780	20.7
177.12802	3.3
177.16376	11.5
181.10107	4.0
182.10939	3.3
182.15387	3.1
183.11624	22.7
185.13251	27.1
185.59308	2.9
187.14784	36.7
189.12749	5.5
189.16348	11.7
190.85558	2.8
191.14297	8.7
195.11868	4.5
195.13742	4.5
196.12343	3.6
197.13287	12.9
199.14816	32.4
201.12762	4.1
201.16367	39.6
203.14320	13.2
203.17981	9.5
205.15833	19.9
211.14819	11.3
213.16322	20.9
215.17891	8.5
217.15916	12.0
219.17545	4.5
221.15422	7.6
223.16769	5.4
225.16402	8.0
227.17953	8.7
229.15816	3.2
231.17384	3.5
235.14922	3.5
235.16940	3.6
237.16287	4.2
243.17474	5.3
245.18933	3.7
253.19548	11.3
257.18942	4.2
265.19440	4.3
271.20541	4.8
283.20535	12.2
285.22128	6.0
301.21616	27.1
325.49603	3.7
351.26926	11.5
359.26614	3.4
369.27795	41.1
379.29843	3.8
387.19873	2.8
387.30582	3.5
393.31497	7.7
405.31363	25.0
411.32767	5.0
423.32510	63.7
424.33206	3.4
441.33661	100.0
442.34213	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	441.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46072	1.0
53.03940	1.7
55.01860	1.5
55.05504	13.2
55.38966	1.0
57.07068	4.4
58.77336	1.0
59.04996	1.9
65.03930	2.5
67.05496	23.8
69.03425	3.6
69.07052	15.8
70.85703	4.8
71.04972	2.3
78.95164	1.1
79.05480	28.6
81.03429	1.4
81.07043	38.4
83.04963	5.6
83.08622	9.1
85.06546	4.7
91.05462	33.6
93.07028	65.9
95.04941	7.3
95.08589	50.1
97.02927	1.5
97.06538	4.7
97.10168	3.7
99.08079	38.1
103.05477	2.0
105.07011	59.2
107.08573	100.0
108.08879	1.3
109.06509	6.3
109.10137	57.5
111.08071	8.4
113.09660	2.3
115.05461	3.7
117.06992	15.4
119.08558	80.7
120.08943	1.8
121.06509	3.1
121.10123	49.2
123.08070	5.9
123.11684	14.6
125.08774	1.2
125.09653	4.8
127.07579	3.3
128.06245	5.1
129.06998	11.6
130.07813	4.1
131.04892	1.1
131.08546	46.2
133.06496	1.7
133.10104	61.7
135.08083	5.6
135.11667	28.1
135.12613	1.7
137.09641	4.0
137.13297	4.2
139.11240	3.1
141.07008	3.9
142.07730	8.9
143.08542	28.8
143.09604	1.6
144.09370	4.4
145.06458	8.9
145.10103	58.2
146.10606	1.8
147.08093	5.1
147.11659	78.0
148.12006	1.8
149.09657	5.2
149.13220	13.5
149.67081	1.1
151.11116	6.5
153.12776	4.5
154.07750	1.6
155.08517	9.9
156.09343	5.5
157.06487	1.8
157.10098	39.5
158.10916	5.1
159.08104	2.5
159.11665	54.4
160.12300	1.5
161.09682	5.2
161.13235	29.8
161.14478	1.8
163.11162	8.5
163.12415	1.4
163.14786	9.2
165.09068	5.9
165.12785	3.9
167.08661	1.6
168.09364	3.9
169.10112	15.0
170.10899	6.4
171.11652	29.6
171.12997	1.9
172.12482	4.9
173.09673	1.4
173.13231	37.9
174.13939	1.3
175.11255	3.3
175.14801	18.3
177.12712	12.2
177.16341	8.1
179.08641	1.4
179.14374	4.8
181.10150	5.2
182.10866	2.9
183.08008	1.8
183.11665	24.8
183.13103	1.8
184.12445	2.9
185.13229	26.8
185.14749	1.6
186.14050	2.0
187.11235	3.2
187.14793	43.1
189.12868	2.9
189.16348	9.4
191.14247	6.1
195.11772	6.4
195.13863	5.4
196.12512	2.6
197.13232	21.5
197.14902	2.0
198.14073	1.3
199.14784	45.3
200.15550	1.7
201.12776	2.3
201.16371	29.1
201.18118	2.1
203.14249	6.7
203.18059	2.5
205.15851	41.9
207.11754	2.3
207.17441	1.7
209.13277	6.2
211.11159	1.2
211.14757	13.4
213.16319	20.2
214.16945	1.7
215.14322	7.0
215.17870	8.0
217.15846	11.0
219.17488	4.5
221.13358	2.9
223.14876	5.2
223.17020	19.1
223.18738	1.5
224.15675	1.5
225.16365	7.6
227.14346	1.8
227.17876	6.1
229.15909	3.9
229.19591	1.4
231.17493	6.1
233.15468	1.4
233.19102	1.3
235.14937	2.6
235.17038	4.5
237.16411	4.0
239.17993	4.4
241.19449	5.6
243.17491	4.2
245.19109	3.7
247.14854	1.5
249.16353	3.1
250.17271	2.4
251.18031	3.5
253.15877	1.2
253.16998	1.5
253.19463	11.0
255.13898	1.6
255.17500	1.7
255.21263	2.1
257.19040	3.9
259.20645	3.6
261.16272	1.4
263.17981	1.5
265.19531	7.2
267.17807	1.7
267.21231	3.1
269.19055	2.7
271.20551	13.1
273.14893	3.4
273.22186	2.7
277.19464	2.2
279.21185	1.7
283.20526	28.5
285.22266	5.0
291.21210	1.6
293.19003	1.4
293.22690	1.8
295.20459	2.1
301.21564	30.0
301.24756	1.9
307.24228	2.1
309.22141	2.1
311.23764	1.8
317.22769	1.6
323.23737	1.4
325.25345	3.4
327.23334	1.6
333.25604	7.7
335.23697	2.7
337.25290	1.4
346.19446	1.2
349.21747	3.2
351.26749	16.6
365.28503	2.6
367.22763	4.0
369.27866	33.4
369.32205	1.7
387.30286	2.7
393.31613	1.8
395.33289	2.2
405.31473	26.8
411.32791	1.5
423.32535	51.5
424.33026	2.3
441.25885	2.4
441.33841	67.8
442.34332	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26077	2.5
55.05498	11.6
65.03911	2.5
67.05505	24.1
69.03417	3.9
69.07059	18.5
70.62538	9.9
78.29464	2.9
78.77609	3.1
79.05470	22.6
81.03410	3.6
81.07056	38.9
83.04964	5.3
83.08615	6.3
91.05462	36.8
93.07031	61.0
95.04952	8.3
95.08590	49.1
97.06524	4.3
99.08071	35.0
105.07010	58.4
107.08579	100.0
109.06493	5.4
109.10146	59.9
111.08080	10.5
115.05398	3.3
117.06987	10.3
119.08565	78.9
121.10123	54.6
123.08073	6.0
123.11679	16.5
125.09623	4.1
127.07516	6.6
128.06216	4.8
129.06992	11.0
131.08543	47.2
133.10114	70.5
135.07982	3.6
135.11687	28.4
137.09691	3.3
137.13223	5.4
141.06979	8.0
142.07747	9.4
143.08554	25.4
145.06497	4.9
145.10100	54.9
147.08040	5.0
147.11662	85.8
149.09543	5.8
149.13214	13.3
151.11133	5.2
153.12759	5.9
155.08563	10.5
156.09415	6.6
157.10101	33.4
158.10832	3.2
159.11664	53.1
161.13239	30.7
163.11185	8.4
163.14824	11.5
165.09042	3.0
165.12671	3.7
168.09283	4.5
169.10133	14.2
170.10851	5.5
171.11673	31.0
173.13246	41.6
174.13992	2.9
175.11273	4.2
175.14777	21.3
177.12752	7.9
177.16353	9.3
179.14357	3.0
182.10822	4.0
183.11661	26.3
184.12421	3.9
185.13237	29.6
187.14798	38.7
189.12767	4.3
189.16368	10.3
191.14291	7.8
195.11717	6.1
195.13785	7.8
197.13181	19.8
197.45425	3.6
199.14819	45.5
201.12769	3.6
201.16365	33.9
203.14365	7.5
203.17821	6.4
205.15828	45.6
209.13092	6.0
211.14789	15.8
213.16367	23.5
215.14284	8.2
215.17999	9.7
217.15897	12.6
219.13788	2.9
219.17334	7.7
223.14807	6.7
223.16945	24.4
224.21988	2.7
225.16356	6.7
227.18015	9.1
229.15984	3.7
231.17441	9.4
233.19135	4.1
235.16960	6.9
237.16460	5.3
239.17909	4.9
241.19472	5.8
243.17522	3.3
251.17920	4.6
253.19466	14.1
257.18924	3.6
259.20654	3.6
265.19519	7.7
271.20499	14.6
273.21982	3.9
283.20535	32.9
285.22232	5.9
293.22510	4.2
297.22040	3.6
301.21579	37.5
333.25729	10.9
351.26831	16.5
369.27856	40.2
387.30151	3.5
405.31427	36.1
411.32501	3.4
423.32581	60.5
441.33615	95.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.0
55.05503	12.8
65.03946	3.3
67.05504	28.4
69.07051	13.4
69.55990	24.5
69.56409	7.4
75.53480	3.0
79.05480	28.2
81.07048	52.5
83.08609	10.2
85.06509	5.0
88.13849	3.1
91.05453	32.2
93.07027	73.0
95.04961	7.9
95.08595	53.7
97.06528	5.6
98.20729	7.4
98.49683	2.9
98.54426	3.0
98.98484	3.2
99.08093	32.5
105.07018	61.9
106.08763	3.2
107.08578	100.0
109.06504	5.1
109.09397	5.2
109.10144	55.3
111.08086	9.7
115.05385	3.8
117.06980	17.9
119.08565	88.5
121.06474	4.1
121.10114	54.7
123.08013	6.9
123.11683	16.4
125.09620	5.5
128.06183	4.7
128.35066	3.4
129.06963	12.5
131.08559	42.5
133.10118	65.9
135.08008	6.2
135.11687	29.6
137.09662	4.4
137.13225	4.5
141.06929	3.6
142.07735	7.5
143.08546	28.6
144.09323	6.6
145.10092	52.9
147.11664	83.6
149.13255	16.2
151.11157	6.1
153.12761	6.3
155.08560	6.8
156.09346	9.2
157.10115	35.6
158.10812	6.1
159.11671	63.3
161.09546	5.5
161.13219	34.9
163.11200	6.9
163.14816	11.8
165.09106	10.3
165.12694	4.2
168.09409	6.3
169.10110	14.9
170.10826	6.5
171.11690	31.9
173.13243	44.4
175.14798	16.3
177.12711	6.9
177.16386	12.2
179.14325	5.3
181.10124	5.1
183.11673	29.2
185.13281	27.8
187.14810	38.5
189.16322	8.4
191.14371	7.2
193.15732	3.8
195.11693	5.2
195.13797	8.0
197.13258	20.8
199.14803	49.1
201.12665	4.1
201.16341	36.2
203.14291	11.9
205.15866	41.9
209.13219	5.1
211.14827	12.1
213.16402	17.5
215.14323	7.1
215.17950	8.2
217.15887	10.1
219.17468	7.1
223.16861	22.7
225.16400	8.7
227.17911	9.6
229.15981	4.8
231.17406	6.4
233.19154	3.8
235.16864	9.4
237.16373	4.9
239.17838	4.4
243.17239	4.2
245.18829	4.0
253.19524	19.7
257.19064	5.4
259.20529	3.9
265.19382	6.7
269.17264	17.5
271.20490	14.3
273.22073	5.2
283.20584	23.6
285.22061	4.0
301.21594	39.5
333.25702	8.5
351.26764	15.9
369.27768	36.2
405.31543	30.6
411.32803	4.9
423.32474	59.0
441.33588	96.4
442.33707	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	441.3357
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
52.28187	2.1
53.03931	4.0
55.05500	12.0
57.07054	3.6
67.05499	22.4
69.07059	16.4
71.05009	2.7
71.44804	5.5
79.05478	27.3
81.07045	31.2
82.66890	2.3
83.04972	3.1
83.08614	8.4
85.06522	4.1
91.05463	26.4
93.07024	61.3
93.07585	4.9
95.04948	9.9
95.08587	47.3
97.06494	3.7
97.10093	4.0
98.81083	2.7
99.08070	37.7
105.07011	63.1
107.08577	100.0
107.77918	2.4
109.06506	4.1
109.10134	53.4
111.08027	14.4
117.06972	13.8
118.16681	2.3
119.08559	79.4
121.10120	45.3
123.08073	5.3
123.11677	17.7
125.09582	2.8
127.07509	5.4
128.57687	2.6
129.06993	6.6
131.08539	41.3
133.10107	57.8
133.31976	2.5
135.11664	27.9
137.09564	6.8
137.13208	3.5
139.37527	2.8
142.07774	6.0
143.08553	30.0
144.09332	2.5
145.10104	52.7
147.08041	3.4
147.11652	75.0
149.09602	5.6
149.13242	10.8
151.11121	5.0
153.12741	5.9
155.08514	6.1
156.09251	6.3
157.10101	37.2
159.11667	47.7
161.09659	4.7
161.13229	28.0
163.11142	12.2
163.14810	11.2
165.09099	2.8
165.12701	4.4
168.09384	3.0
169.10091	13.7
170.10849	7.7
171.11697	27.6
172.12384	2.6
172.49947	2.8
173.13223	34.1
175.14772	20.7
177.12807	4.2
177.16365	10.7
179.14278	5.0
181.10129	7.3
182.10760	3.3
183.11646	22.1
184.12402	4.0
185.13239	29.2
187.11200	4.1
187.14796	40.0
189.12823	4.3
189.16321	13.2
191.14256	6.8
195.11667	7.1
195.13794	5.5
197.13258	20.8
199.14771	36.6
201.12714	3.6
201.16354	30.4
203.14215	11.7
203.18031	3.0
205.15833	35.2
209.13231	4.0
211.14777	12.5
213.16330	17.9
215.14282	7.8
215.17862	7.3
217.15915	11.1
219.17372	4.1
223.14920	3.7
223.16838	20.6
225.16400	6.9
227.17957	5.7
229.15939	5.8
231.17445	5.2
235.14777	3.3
235.16925	8.3
237.16336	5.2
239.17851	5.6
243.17361	5.2
245.19102	2.6
253.19502	11.9
257.18863	4.4
259.20554	4.9
265.19580	8.0
267.20956	4.8
269.13684	2.7
271.20535	10.9
273.22171	4.8
277.19632	4.4
279.21249	2.9
283.20407	17.8
285.22324	4.9
301.21616	30.6
307.98096	2.9
325.25540	3.3
333.25769	7.2
351.26816	15.8
369.27814	37.8
387.30023	4.0
393.31778	4.2
405.31314	26.2
411.32913	4.2
423.32553	73.0
441.27631	4.7
441.33588	88.9
442.34421	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	441.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.05499	18.0
57.07069	6.0
65.03936	2.6
67.05496	24.6
69.03395	4.5
69.07062	22.5
70.43951	5.9
70.44350	5.1
79.05474	29.0
81.03393	3.5
81.07047	44.7
83.04962	3.3
83.08603	14.5
85.06505	3.6
86.46023	2.5
91.05467	37.9
93.07031	70.7
95.04938	11.0
95.08595	57.8
97.06519	6.7
97.10152	3.9
99.08079	37.1
103.05455	3.4
105.06337	4.3
105.07018	62.1
107.08581	100.0
108.08880	3.0
109.06489	8.2
109.10158	43.9
111.08067	11.5
112.99996	5.4
115.05459	3.0
117.07005	13.9
119.08562	76.6
119.09409	4.9
121.06487	4.2
121.10133	48.1
123.08074	8.0
123.11694	24.4
125.09622	4.4
125.64455	2.4
127.07545	4.2
128.06207	3.3
129.06987	8.9
130.07780	2.7
131.07629	4.6
131.08551	43.3
133.10115	65.0
134.10371	2.8
135.08028	8.1
135.11676	33.1
137.09596	7.6
137.13231	4.9
139.11137	4.5
141.06937	3.8
142.07745	7.2
143.08548	31.7
145.06415	2.5
145.10109	49.8
147.08017	8.5
147.11664	71.5
149.09567	6.0
149.13223	14.6
151.11174	5.4
153.12866	3.5
155.08545	10.2
156.09332	8.2
157.10120	42.1
159.08034	3.8
159.11659	46.2
161.09698	6.1
161.13268	24.0
163.11160	8.4
163.14851	13.5
165.09099	9.2
165.12645	6.2
166.07870	3.2
167.08571	4.5
168.09361	3.5
169.02586	6.5
169.10118	16.9
170.10901	5.6
171.11667	29.0
172.12567	2.9
173.13239	43.4
174.13570	2.3
174.27592	2.5
175.11220	5.4
175.14806	22.5
177.12741	4.8
177.16388	10.0
179.14378	4.9
181.10170	5.0
182.10994	2.7
183.11636	24.2
185.13211	26.7
187.11169	3.2
187.14816	33.6
189.12767	6.3
189.16415	13.1
191.14310	4.7
191.17929	4.8
193.10173	3.1
195.08022	2.8
195.11674	7.4
196.12547	3.6
197.13242	19.3
199.11136	2.8
199.14775	34.4
200.14952	2.6
201.12775	4.4
201.16351	16.7
203.10573	2.6
203.14297	9.1
203.17955	7.8
205.15846	24.2
207.11684	5.1
207.17511	3.2
208.12476	3.0
209.09662	4.0
209.13239	7.9
211.11037	2.8
211.14754	14.5
213.12665	2.4
213.16333	24.0
215.14366	5.0
215.18004	8.0
217.15852	14.1
219.13881	2.9
219.17407	4.9
223.14812	5.9
223.16907	7.0
225.16394	7.4
227.14359	3.3
227.17992	6.9
231.17453	8.5
233.15433	3.1
235.14780	4.1
235.16913	7.8
237.16335	4.0
239.17900	8.2
241.19574	3.9
243.17435	2.8
251.17986	4.6
253.19441	10.3
255.17346	3.0
255.21051	4.3
257.19040	3.2
259.20447	2.7
265.19547	7.6
267.20847	3.3
269.18814	2.9
271.20547	7.1
275.20163	3.9
283.20547	22.0
285.22128	2.7
293.22565	3.1
301.21634	28.4
307.24139	3.4
315.23404	3.3
323.23920	2.5
333.25769	5.0
335.23502	3.7
349.21381	5.9
351.26804	10.0
369.27905	52.0
379.30011	3.5
387.30380	5.0
393.31390	7.7
397.31232	2.4
405.31534	31.4
411.32410	8.5
423.32587	65.5
424.32666	4.6
441.20432	5.8
441.26385	17.1
441.33511	99.2
442.33859	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3359
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
53.03938	5.3
54.82028	2.3
55.01865	3.4
55.05507	13.9
57.07064	7.0
57.87892	2.4
58.59357	2.4
59.04992	2.9
65.03899	2.5
67.05502	26.5
69.03419	7.7
69.07066	18.7
70.95753	7.5
71.08634	3.9
79.05484	32.1
81.03399	4.9
81.07051	43.9
83.04971	9.6
83.08607	9.3
85.05999	2.2
85.06521	6.3
86.09681	3.6
91.05474	36.6
93.07037	69.2
95.04962	9.3
95.08599	61.9
97.06519	5.2
97.10185	3.6
99.08094	28.9
105.07015	64.2
107.08578	100.0
109.02892	2.7
109.06505	8.1
109.10151	37.2
111.04475	2.8
111.08084	10.3
115.05442	3.1
117.06997	13.0
119.08568	85.7
121.06527	3.0
121.10133	46.6
123.08054	5.6
123.11686	19.1
125.09639	5.4
127.03881	5.7
128.06187	5.2
129.06981	10.4
130.07701	3.1
131.08551	51.0
133.10117	67.5
134.10432	3.6
135.04378	3.1
135.08061	4.2
135.11667	26.7
137.09610	9.9
139.11189	3.9
141.07047	3.8
142.07745	15.9
143.08560	28.6
144.09268	4.0
145.10103	52.5
147.04370	3.4
147.08064	5.3
147.11678	87.3
149.09631	5.7
149.13278	14.7
151.11214	8.1
153.12721	3.4
155.08566	7.2
156.09354	8.2
157.10121	41.9
158.10951	6.2
159.11674	52.3
161.09569	3.6
161.13228	22.6
163.03900	8.0
163.11131	4.4
163.14836	10.1
169.10103	14.7
170.10986	5.4
171.11703	29.2
172.12407	2.5
173.09508	2.8
173.13237	42.2
175.11128	4.9
175.14842	15.1
177.12718	4.8
177.16310	11.7
179.14230	2.8
181.10139	4.5
183.11659	26.9
184.12363	3.2
185.13235	26.6
187.14796	39.5
189.12730	4.8
189.16368	13.9
191.14345	8.6
193.09976	2.8
195.11720	4.8
197.13234	15.4
199.14801	42.8
201.12740	4.5
201.16365	23.7
203.14372	8.2
203.17999	5.7
205.15834	20.0
207.11600	3.0
209.13219	5.4
211.14729	11.7
213.16331	23.9
215.14391	3.6
215.17924	18.3
217.15916	8.2
217.19377	2.7
219.14056	2.7
219.17349	4.1
221.13304	2.6
223.12581	2.5
223.14790	4.1
223.16737	4.9
225.16357	8.0
227.17993	5.1
229.15913	5.2
231.17442	5.2
235.16939	3.3
239.17982	7.9
241.19608	3.7
243.17389	3.4
245.19066	3.5
248.15593	2.6
249.81207	2.6
251.17987	6.7
253.19420	12.8
255.17442	3.5
255.21103	3.0
257.19171	3.1
265.19522	6.8
267.21094	6.0
271.20517	12.6
275.20062	4.4
283.20551	21.0
285.22128	4.9
301.21631	36.0
309.22269	3.9
311.23636	3.8
317.22958	3.3
323.23682	3.6
333.25580	3.3
335.23639	3.7
349.25143	3.6
351.26935	10.2
353.24719	3.1
369.27863	70.9
369.32324	5.0
387.30563	3.6
405.31400	31.2
411.32690	3.0
423.27258	4.1
423.32602	66.8
441.24722	5.0
441.33640	85.9
442.24695	3.0
442.33679	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	441.3722
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
52.53773	4.3
53.03944	5.0
55.05492	13.4
67.05499	27.0
69.07056	31.9
70.88945	7.9
79.05491	23.3
81.06610	6.6
81.07047	81.3
83.08597	12.0
85.06527	11.2
91.05445	18.5
93.07024	42.4
95.04942	4.2
95.08598	100.0
97.10158	7.0
105.07011	33.9
107.08579	64.4
109.10145	69.5
111.08040	5.9
111.11671	5.1
113.09584	3.2
117.06998	6.4
119.08553	47.1
121.10119	50.8
123.11682	27.7
124.25220	3.5
131.08534	12.0
133.10097	33.7
135.08040	7.1
135.11687	38.6
137.09550	6.1
137.13223	12.2
139.07504	8.7
143.08479	3.4
145.10112	23.4
147.11700	31.1
149.09579	3.8
149.13239	32.6
151.11115	4.0
157.10170	5.6
159.11646	19.5
161.13206	34.5
163.07507	10.7
163.14777	26.6
165.09103	85.5
171.11647	3.6
173.13237	13.5
175.14787	29.0
177.12816	5.8
177.16475	18.2
179.14407	4.1
181.08531	9.8
187.11075	3.7
187.14777	14.1
189.16316	24.4
191.14299	7.7
191.17915	58.9
193.15871	5.2
201.12704	4.1
201.16380	18.5
203.10716	5.1
203.17921	26.0
205.12195	13.6
205.15779	5.1
205.19450	12.2
207.17355	5.5
215.17955	30.8
217.19466	14.9
219.13857	5.2
219.17404	11.6
229.19452	12.1
231.17424	5.0
231.21042	5.5
233.18933	30.4
247.20461	5.1
257.22461	4.4
328.04279	4.1
342.41446	3.8
395.36670	5.5
397.35083	4.1
405.35022	9.5
413.37912	4.9
423.36264	99.8
424.36588	4.6
441.32144	3.9
441.37363	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	441.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.4
55.05505	17.2
57.03429	2.8
57.07058	10.3
63.54728	2.5
65.03928	2.9
66.80013	2.6
67.05497	30.2
69.03408	3.7
69.07059	25.0
70.77238	7.7
72.49954	2.5
79.05478	25.3
81.07040	65.9
81.61288	2.7
83.04939	8.0
83.08603	10.4
85.06541	2.3
91.05448	20.1
93.07030	46.4
95.04951	4.1
95.08591	100.0
97.06498	6.5
97.10139	6.9
99.08082	16.2
105.07013	44.3
107.08575	69.2
109.06505	7.1
109.10143	48.5
110.10461	2.4
111.08058	6.1
111.11697	3.0
113.05939	2.3
115.05422	2.2
117.07004	6.5
119.07727	4.8
119.08562	62.5
121.06462	4.0
121.10128	49.3
123.08043	9.2
123.11684	24.7
125.09592	7.4
129.06978	6.0
130.03346	2.6
131.08551	23.0
133.10110	40.9
135.08055	4.5
135.11670	28.3
137.09610	5.2
137.13214	25.6
141.06894	2.9
143.08501	13.7
145.06406	3.4
145.10097	41.0
147.08046	4.1
147.11681	28.1
148.15508	2.2
149.09599	4.3
149.13263	22.8
151.11179	6.6
151.14774	3.1
155.08408	3.4
157.10078	19.6
158.10963	3.5
159.11679	36.9
161.09579	4.6
161.13242	27.6
163.11124	5.1
163.14795	17.9
169.10112	7.4
171.11676	15.8
173.13268	24.1
175.14793	17.7
177.12788	4.0
177.16371	11.8
179.14287	9.0
183.11656	7.8
185.13237	12.2
187.14798	23.0
189.12680	5.7
189.16333	21.7
191.14235	7.1
191.17935	12.7
193.15869	3.0
197.13326	5.7
199.14819	17.8
201.12674	3.4
201.16347	24.4
203.14308	14.0
203.17993	7.9
205.15866	13.5
207.17410	8.1
213.16345	10.5
215.14383	6.0
215.17937	16.4
217.12413	2.6
217.15839	10.2
217.19489	6.4
219.13747	2.8
219.17369	5.9
225.16335	5.6
227.17940	6.5
229.19514	4.2
231.17459	3.5
233.19012	6.0
239.17854	3.4
243.17451	7.5
243.21082	5.2
245.19028	5.9
253.19461	5.2
271.20547	4.1
273.85876	2.4
279.91992	2.5
351.26892	5.5
369.27847	4.0
405.31070	11.3
423.32346	19.7
423.36380	15.2
441.33240	76.9
442.34174	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	441.372
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03940	2.2
55.05501	15.5
57.03438	2.3
57.07074	3.8
57.11972	1.6
59.05004	3.5
65.03949	1.8
67.05494	24.4
69.07060	22.8
69.38688	3.6
69.39088	16.4
71.04982	1.8
71.08640	3.0
72.08571	1.6
74.24125	1.5
79.05487	20.5
81.07043	56.2
83.08610	12.0
85.06519	12.9
86.69984	1.6
91.05470	19.6
93.07030	52.4
95.04990	4.6
95.08590	100.0
97.06540	4.4
97.10183	7.2
100.06507	2.2
105.07009	43.1
107.08575	79.2
108.08921	1.8
109.06542	2.0
109.10136	59.4
111.08110	6.7
113.09676	5.4
117.07045	7.3
119.08555	63.8
121.06500	4.2
121.10122	67.5
123.08098	4.4
123.11688	27.0
123.12517	2.2
125.09678	4.8
128.06110	1.8
131.08560	13.6
133.10098	45.0
135.11671	65.1
137.09610	3.8
137.13232	10.1
139.11179	3.3
143.08586	3.5
145.10110	27.1
147.11668	35.5
149.09578	3.1
149.13248	30.2
151.11183	3.9
157.10161	5.5
159.11652	35.6
161.13243	39.0
161.14510	2.9
163.11200	3.3
163.14789	38.8
165.12703	3.0
165.16351	2.3
169.10158	3.5
171.11815	6.2
173.13229	24.9
175.14793	40.2
177.12825	4.0
177.16330	20.8
179.14406	3.6
183.11717	1.9
185.13287	3.2
187.14769	15.9
189.16347	32.2
190.52757	1.7
191.14322	10.1
191.17923	63.5
192.18393	1.8
193.16011	7.6
197.13242	2.2
199.14908	5.1
201.16353	27.0
203.17915	33.0
203.19550	2.8
205.15897	9.6
205.19504	12.8
207.17430	9.9
213.16499	6.5
215.17914	28.3
215.19763	1.9
217.16081	2.6
217.19501	16.1
219.17395	13.8
221.19180	4.8
225.16273	1.9
227.18040	3.9
229.19441	9.2
231.17589	4.8
231.21153	7.0
233.18947	25.4
235.20685	1.7
241.19542	4.2
243.20982	8.3
245.19199	2.0
245.22630	2.0
247.20680	5.1
257.22812	5.2
259.20493	1.7
259.24329	2.6
261.22156	3.4
269.22806	2.8
271.24295	2.5
283.24249	2.6
287.23813	2.1
301.25421	2.5
315.18344	2.0
315.26828	1.9
367.34073	1.8
395.36984	6.1
405.35526	9.0
423.36258	80.2
424.36731	6.9
441.37534	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	441.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55747	2.1
53.03944	2.2
55.05506	14.9
57.07057	7.7
66.00314	1.9
67.05500	26.4
69.07064	19.6
69.65179	12.2
69.65607	4.0
71.04974	2.4
78.63374	1.8
79.05473	14.8
81.07048	61.1
83.08595	7.5
85.06504	3.6
91.05463	13.1
93.07038	37.6
95.04957	2.8
95.08597	100.0
96.08904	2.1
97.06525	2.4
97.10149	3.6
99.08073	5.9
105.07021	27.1
107.08585	46.9
109.02872	2.6
109.06501	2.6
109.10148	52.3
110.10493	2.3
111.08058	5.8
111.11724	2.3
113.09614	3.1
117.07035	4.3
119.08571	39.8
121.10133	41.4
122.64705	2.1
123.08065	2.6
123.11691	27.4
125.09641	4.6
129.06973	3.0
131.08560	15.0
133.10118	30.0
135.11681	32.3
137.09622	2.3
137.13254	37.0
142.07727	2.2
143.08548	5.3
145.10114	21.4
147.11685	20.0
148.52301	1.8
149.09557	2.5
149.13232	23.2
151.11089	2.9
155.08528	2.6
157.10092	8.9
159.11667	16.6
161.09583	2.2
161.13258	20.0
163.14784	15.4
169.10091	4.2
171.11638	9.3
173.13258	15.9
175.14810	19.0
177.12706	3.6
177.16350	13.5
179.17917	7.1
183.11710	3.6
185.13240	8.4
187.14771	17.4
189.16362	19.0
191.14218	4.0
191.17940	26.1
193.15854	2.2
197.13336	4.7
199.14796	7.6
201.12569	2.2
201.16411	15.4
203.14311	5.6
203.17935	12.1
205.15843	8.6
205.19499	4.8
205.21695	1.7
207.17407	5.4
211.14751	3.9
213.16342	5.2
215.14357	2.7
215.17952	15.7
217.16008	2.7
217.19492	8.5
219.17389	6.8
223.16873	3.2
227.17917	7.8
229.19386	4.9
231.21095	2.8
233.19041	10.0
243.17447	6.2
243.21112	4.9
245.18991	4.3
247.20589	2.7
252.44429	2.0
257.22565	5.3
267.21042	2.1
301.21579	2.9
327.90192	1.9
332.21121	1.9
369.27856	3.7
395.32401	3.5
395.37009	11.3
405.31036	4.2
423.32141	16.3
423.36176	22.3
441.32520	30.0
441.38080	10.4
442.38174	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	443.159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95549	0.6
54.03454	3.9
54.89923	0.5
55.04232	3.7
55.88279	0.5
56.92344	0.5
57.03437	0.6
61.02905	0.5
61.59927	0.5
69.03404	2.8
70.06596	0.5
71.13673	1.0
71.13991	0.5
72.62898	0.5
73.02880	0.8
75.61031	0.5
80.04984	0.6
81.03400	1.5
81.04044	1.1
81.04528	22.8
82.04867	0.9
82.05309	8.3
83.04999	0.5
83.06092	0.9
84.04564	0.5
84.16848	0.6
85.02888	3.6
85.72682	0.6
87.04433	1.1
95.08583	0.6
95.13741	0.7
97.02870	2.2
98.21380	0.5
98.97585	0.6
103.07556	1.0
105.06985	0.6
108.05601	1.6
108.53104	0.5
109.02805	0.7
116.98599	0.5
122.07134	100.0
123.07916	89.8
123.08851	1.2
124.08270	1.3
127.03911	0.8
134.05997	0.6
137.05940	2.7
142.03160	0.8
143.01846	0.6
144.04808	0.9
160.04245	2.0
161.02934	1.3
163.14658	0.6
165.07692	4.0
172.04282	1.8
181.45116	0.5
195.04958	0.8
281.10635	63.4
282.10880	2.0
323.11548	0.7
383.11719	2.1
401.12521	1.3
443.15891	69.9
444.16388	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
55.01866	4.6
55.05503	31.8
57.03427	9.1
57.07063	2.1
59.04998	9.2
59.05251	1.4
61.02911	10.0
67.05489	6.5
69.03421	30.0
69.07050	4.1
69.97329	7.6
70.06571	3.1
71.01312	1.6
71.04975	4.6
72.08115	1.6
73.02929	3.4
77.03844	1.4
79.05475	9.3
81.03413	13.9
81.07040	18.2
83.04601	1.7
83.04968	47.0
84.08114	1.7
85.02891	74.7
85.06509	8.1
87.04438	4.5
91.03940	3.1
91.05473	13.5
93.07036	14.3
95.04955	20.4
95.08591	5.3
97.02868	19.5
97.06500	2.8
98.20763	1.7
99.04433	3.9
101.02346	1.7
101.06001	23.5
103.03960	1.8
105.03674	1.5
105.07003	18.1
107.05000	1.7
107.08574	16.2
109.02840	7.4
109.06504	11.5
109.10121	7.8
109.19450	1.4
111.04448	1.9
111.08079	1.6
115.03887	1.9
115.05394	1.6
117.06972	8.1
119.08559	22.9
121.06506	7.8
121.10123	20.6
123.08049	7.4
125.05968	3.3
125.87589	1.3
127.03899	12.4
127.07467	1.6
128.06207	3.4
129.06969	3.8
131.08537	6.5
133.06519	3.7
133.10100	14.3
135.08022	11.4
135.11665	6.0
137.05952	5.0
137.09599	6.5
142.07748	1.3
143.08543	6.1
145.04953	8.2
145.06427	3.4
145.10080	14.0
147.04411	3.1
147.08018	27.2
147.11621	1.7
149.09616	3.3
151.07530	3.6
155.08540	2.2
156.09326	2.5
157.10106	6.7
159.08057	10.3
159.11656	6.8
159.32039	1.5
161.09586	14.3
161.13255	3.3
163.07469	2.9
163.11157	100.0
165.09131	4.9
169.10091	1.8
170.10837	2.3
171.07985	1.9
171.11644	2.7
173.13225	1.7
175.11134	2.0
175.14777	2.2
177.09085	15.3
179.10674	8.0
181.08655	1.8
181.12204	32.3
185.13173	5.1
187.11122	2.6
189.09015	7.0
191.10730	1.7
195.10063	1.8
199.14810	2.4
201.12704	1.7
203.14238	7.2
205.12213	4.4
207.10101	18.7
223.13171	3.5
227.10677	3.3
227.14325	4.7
233.15382	4.6
234.99034	1.8
245.11711	3.7
245.15326	16.6
263.16400	49.2
281.14429	2.8
281.17419	28.1
350.58340	1.9
425.21786	3.6
443.23297	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	443.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26978	2.1
53.03940	11.7
55.01865	13.7
55.05502	28.9
56.17726	1.9
57.03427	27.9
57.07063	2.4
59.88719	2.3
61.02918	36.1
65.03924	5.0
67.05495	74.3
69.03418	42.4
69.07057	21.0
71.01347	4.6
71.04965	8.5
71.29725	5.7
73.02905	16.4
77.03904	3.0
79.05483	99.4
81.03403	38.6
81.07046	77.3
81.07397	1.3
81.07537	2.5
83.04958	22.5
83.08601	13.3
85.02894	48.3
85.06515	7.9
87.04424	3.1
91.03957	17.7
91.05463	79.0
93.07034	100.0
93.57785	2.0
95.04958	32.4
95.08592	44.6
97.02879	33.7
97.06539	14.3
97.10160	5.3
99.04430	8.6
99.08105	10.9
101.02348	7.3
103.03931	8.0
103.05421	4.9
103.91738	2.2
105.06334	3.9
105.07017	68.7
107.04953	18.3
107.08581	43.5
109.02868	12.1
109.06513	16.9
109.10121	18.7
111.04414	5.4
111.08052	7.7
112.15822	2.2
112.99253	2.7
113.00006	38.0
115.03861	2.4
115.05421	4.8
117.07000	27.7
119.04927	4.3
119.08562	47.1
121.02861	3.7
121.06502	9.1
121.10124	21.5
123.08076	12.0
123.11700	4.6
125.05952	2.7
125.09609	4.6
127.03894	22.3
127.07549	4.2
128.06197	6.3
129.05452	4.2
129.06978	30.4
131.03377	2.1
131.04904	4.4
131.08539	23.4
133.06467	9.1
133.10095	28.5
135.08025	7.7
135.11691	11.8
137.05923	2.6
137.09576	5.7
141.06990	2.7
143.08574	18.8
145.04935	7.7
145.06470	6.4
145.10088	32.0
145.86819	2.3
147.04366	9.0
147.08029	7.7
147.11662	51.1
148.12067	2.5
149.09605	9.1
149.13237	8.8
151.07487	5.0
155.08522	5.4
157.10135	7.9
159.08044	8.9
159.11642	17.5
161.09587	9.3
161.13237	21.5
163.07576	2.2
163.11147	5.0
163.14877	2.5
165.09094	19.3
165.12686	2.1
167.07005	6.7
167.08420	2.9
169.02594	29.7
169.10120	3.1
171.07982	3.0
171.11670	41.4
173.09599	4.9
173.13255	14.0
175.07538	5.0
175.11165	3.9
175.14803	4.8
176.41597	2.3
177.12708	5.6
181.10252	2.8
183.06570	3.9
183.11630	2.8
185.09650	3.3
185.13167	7.4
187.14816	4.5
189.12747	18.7
191.14372	4.3
197.09685	2.3
197.13255	3.4
199.14777	4.9
201.07533	3.4
201.16306	2.4
203.14323	4.1
205.12114	2.4
205.15837	2.1
207.11845	2.3
207.13768	44.0
211.14720	4.7
213.12802	3.1
216.18271	2.7
217.15810	2.2
219.13788	5.3
221.15361	5.0
225.14873	2.2
227.14163	2.3
233.15369	3.4
235.17026	2.5
239.17905	4.3
245.15407	2.1
251.14255	2.3
257.19031	10.0
259.17007	2.3
269.15451	3.3
275.20038	13.0
281.17456	71.0
281.20563	3.9
282.17963	2.3
287.16257	11.1
309.17026	4.8
331.22519	3.5
339.12320	5.0
343.18875	4.5
407.29047	4.7
425.21548	5.6
425.30450	6.8
443.09854	2.5
443.22690	10.0
443.31238	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3514
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05497	1.6
57.03415	0.4
57.07065	0.8
66.58861	0.3
67.05492	2.6
69.07062	2.7
69.72221	2.7
71.08591	0.4
79.05488	2.6
81.07039	7.2
83.04958	1.3
83.08597	1.5
85.06525	0.4
91.05455	2.5
93.07034	5.6
95.04940	1.1
95.08591	11.5
97.06509	0.9
97.10143	0.8
98.21481	0.4
105.07013	6.4
107.08575	9.2
108.08916	0.4
109.06493	1.0
109.10144	5.9
111.08053	0.9
117.06982	1.1
119.08560	8.1
121.06474	2.6
121.10121	7.5
123.08062	1.7
123.11694	3.1
125.09626	0.4
129.06999	0.6
131.08571	1.9
133.10121	5.0
135.08023	2.7
135.11664	4.6
137.09619	0.5
137.13225	0.8
142.07732	0.7
143.08542	1.3
145.06432	0.5
145.10097	2.9
147.08034	1.2
147.11670	4.6
149.09579	1.3
149.13229	2.8
151.11127	0.8
155.08495	0.6
157.10144	2.2
159.08101	0.5
159.11699	2.3
161.09610	2.8
161.13246	2.1
163.11186	1.0
163.14732	1.8
169.10065	0.7
169.81172	0.3
171.11691	1.8
173.09641	0.6
173.13231	2.9
175.11194	2.4
175.14786	3.8
175.48528	0.4
177.12749	0.6
177.16368	3.1
179.14268	0.5
183.11609	0.8
185.13197	1.2
187.11165	0.6
187.14809	2.7
189.12715	1.5
189.16333	4.5
191.14365	0.5
191.17987	0.4
197.13200	0.6
199.14799	1.8
201.12730	0.7
201.16338	1.4
201.18086	0.4
203.14290	0.6
205.15810	1.3
207.17369	0.7
213.16364	0.8
215.14288	0.7
215.17885	0.7
217.15897	1.8
217.19440	0.7
219.17519	0.4
225.16287	0.5
227.17924	2.4
229.15851	0.5
229.19485	0.8
231.17410	4.1
235.16893	3.0
239.17900	0.5
243.21043	0.5
245.19019	0.8
253.19556	0.5
253.81006	0.4
255.21169	0.6
257.18796	0.5
259.20258	0.3
267.20813	0.4
269.67389	0.4
271.20602	2.1
271.23053	0.4
275.20120	0.3
285.22131	0.5
289.21606	0.4
311.23706	0.8
320.67950	0.4
324.77570	0.3
329.24689	0.4
347.25858	1.2
373.27310	0.4
389.32013	0.4
407.33029	1.9
425.34094	11.2
443.35156	100.0
444.35391	6.3
444.40671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3513
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05508	9.3
57.07063	7.7
67.05505	25.7
68.03956	5.4
69.07046	20.4
71.16741	6.5
71.17068	9.0
75.89784	5.6
79.05476	18.7
81.07047	44.0
83.08609	10.7
85.06517	9.3
91.05463	24.0
93.07030	52.6
95.08597	73.4
97.10126	8.5
99.08077	66.6
105.07005	32.6
107.08581	81.8
109.06507	6.2
109.10143	58.7
119.08564	86.5
121.10135	63.4
123.11681	20.6
127.07559	25.1
131.08546	20.8
133.10112	77.6
135.08099	6.2
135.11655	37.6
137.09601	7.3
143.08464	8.5
145.10103	30.0
147.08072	5.8
147.11671	54.8
149.13251	31.1
150.67430	4.9
157.10092	26.3
158.10910	7.8
159.11642	33.3
161.13277	28.8
163.14809	41.0
169.10120	9.8
171.11652	22.1
173.13260	40.6
175.11197	8.0
175.14827	20.1
177.12683	5.9
177.16342	11.2
183.11673	6.5
185.13188	24.9
187.14832	30.9
189.16336	16.0
191.14255	8.9
191.17935	16.4
199.14746	18.7
201.16354	21.1
203.14267	11.2
203.17970	19.8
205.15886	13.1
211.14842	6.0
213.16319	29.3
215.17874	10.1
217.15860	8.5
217.19431	8.2
219.13840	6.1
225.16342	8.8
227.17926	9.0
231.17407	24.3
239.04947	5.5
245.18913	7.2
249.18430	10.3
255.21129	6.0
353.28351	6.3
367.29733	10.9
369.31387	6.4
383.34320	5.7
385.30731	6.5
407.33087	43.1
425.34088	100.0
443.35190	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	443.3514
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
50.01745	0.3
52.19159	0.4
53.03933	0.4
55.05497	3.7
55.19849	0.4
57.07048	0.8
58.16224	0.3
59.05008	0.3
59.88404	0.3
67.05492	3.9
69.03396	0.6
69.07059	4.5
69.68929	3.2
70.06149	0.3
71.08611	0.6
78.49107	0.4
79.05471	4.8
81.07046	10.7
83.04963	0.9
83.08599	3.0
85.06517	0.7
91.05457	4.4
93.07030	10.0
93.21918	0.4
95.04932	1.5
95.08589	15.5
97.06516	1.0
97.10145	1.2
99.08077	0.5
105.07011	9.1
107.08575	16.6
108.08896	0.5
109.06494	3.4
109.10133	10.4
111.08057	1.3
117.07005	1.5
119.08564	12.3
120.08921	0.5
121.06519	2.1
121.10121	13.0
123.08044	8.5
123.11670	3.6
125.09576	0.8
128.06161	0.5
129.06978	1.1
130.07755	0.4
131.08546	7.9
133.06502	0.6
133.10114	8.4
135.08022	4.4
135.11671	5.6
137.09584	2.0
137.13219	0.8
139.11166	0.5
143.08527	2.5
144.09279	0.5
145.10091	11.0
147.07990	0.5
147.11665	11.6
149.09596	2.5
149.13223	6.8
151.11143	1.2
157.10048	2.5
158.10744	0.4
159.11667	7.4
161.09550	0.4
161.13203	4.3
163.11115	1.9
163.14803	7.0
165.12695	0.7
169.10085	0.5
171.11668	1.4
172.12425	0.6
173.13246	3.3
175.11212	1.1
175.14766	2.5
177.12709	1.1
177.16341	4.9
179.14383	0.5
183.11748	0.9
185.13214	3.1
187.14798	12.2
189.12711	0.7
189.16327	3.0
191.14282	1.1
191.17934	1.4
197.13289	0.4
199.14825	1.0
201.12746	0.5
201.16348	6.5
203.14322	1.2
203.17903	4.1
205.15848	26.1
206.16252	0.5
207.17371	1.1
211.14731	1.0
213.16344	1.6
215.17905	2.3
219.17456	1.8
223.16878	3.5
225.16542	0.7
227.17932	1.1
229.19498	1.2
231.17508	0.5
241.19524	1.5
253.19330	0.6
255.21057	2.1
257.22766	0.4
267.20950	0.4
269.22644	0.9
347.25729	8.8
373.27338	8.5
407.33069	2.0
425.34164	6.4
443.35162	100.0
444.35519	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	443.3515
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03937	0.7
54.57923	0.6
55.05517	3.1
57.07066	1.4
67.05199	0.5
67.05500	5.0
68.17316	0.6
69.07068	4.6
79.05471	2.7
81.07041	9.9
83.04963	1.8
83.08601	1.8
85.06546	1.6
91.05472	3.3
93.07034	7.4
95.04949	2.3
95.08008	1.0
95.08591	14.5
96.08936	0.9
97.06519	1.8
97.10164	1.1
98.20637	1.1
99.08082	0.8
105.07007	10.7
107.08577	12.6
109.06511	1.6
109.10155	7.6
111.08061	1.2
117.06985	0.9
119.08568	9.9
121.06516	1.9
121.10123	11.1
123.08054	1.1
123.11691	3.1
125.09600	0.8
128.68741	0.7
129.07024	1.1
131.08537	3.5
133.10112	6.9
135.08061	2.9
135.11670	7.8
137.09583	1.1
137.13240	1.3
141.06911	0.8
143.08528	2.3
145.10104	3.2
147.08022	1.7
147.11653	4.4
149.09615	2.7
149.13261	3.8
155.08554	0.9
157.10094	2.6
159.08032	0.9
159.11693	3.6
161.09599	4.0
161.13280	3.9
161.14362	0.6
163.11191	1.2
163.14819	2.6
165.09096	6.5
169.10106	1.2
171.11668	1.9
173.09619	1.4
173.13266	2.7
175.11191	3.1
175.14818	9.1
177.12720	1.0
177.16359	6.8
179.14352	0.7
183.11748	0.9
185.13222	1.2
187.11116	1.0
187.14803	2.6
189.12801	1.4
189.16402	8.2
191.17905	1.2
197.13281	1.4
199.14796	2.6
201.12842	1.1
201.16377	1.4
203.14185	0.7
205.15933	1.0
207.17392	1.5
211.14793	1.0
213.16429	1.4
215.14284	1.9
215.18019	1.2
217.15831	7.7
219.17465	1.7
221.15378	0.7
227.17944	1.3
229.19557	1.7
231.17401	19.4
235.16939	2.8
243.17546	1.1
243.21138	2.8
245.19049	1.1
253.19591	1.8
257.22754	0.8
267.21078	1.5
271.20566	6.6
273.22244	1.4
283.20905	0.9
285.22134	1.7
289.21674	1.0
301.21494	1.0
302.85065	0.8
338.98468	0.7
407.32938	6.0
425.34116	16.4
426.34628	0.9
443.35196	100.0
444.35544	6.0
444.40744	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
55.01846	2.2
55.05502	15.4
57.03439	4.4
57.07066	3.0
65.03912	3.7
67.05495	29.3
69.03399	4.9
69.07058	22.4
71.05003	4.0
71.17278	1.9
71.70229	4.0
73.02917	2.6
79.05477	21.4
80.05798	2.2
80.39384	2.4
81.03394	7.2
81.07047	55.8
83.04950	7.2
83.08601	12.8
85.02884	7.8
85.06517	5.6
86.09656	3.0
91.05461	32.2
93.07027	54.7
95.04929	11.9
95.08591	88.0
95.09199	4.5
97.02891	4.2
97.06503	4.1
97.10148	4.9
103.05437	2.4
105.07011	73.4
105.07721	4.2
106.07290	3.2
107.04955	12.0
107.08578	63.7
109.02905	4.6
109.06524	8.5
109.10141	44.3
111.04439	3.1
111.08036	5.9
115.05387	4.1
117.07002	10.9
119.04922	4.7
119.08564	69.5
121.06469	10.9
121.10125	46.1
123.04351	3.0
123.08045	7.0
123.11697	17.0
125.09589	2.5
127.03873	4.5
128.06190	2.8
129.06960	2.8
130.95090	2.4
131.08549	31.5
133.10114	56.4
135.08040	10.3
135.11684	22.6
137.07085	10.4
137.09641	2.9
137.13184	3.0
142.07738	2.8
143.08531	11.3
144.09276	4.3
145.06509	2.9
145.10098	44.1
147.04381	17.6
147.08066	4.6
147.11667	42.0
149.06023	2.3
149.09641	6.1
149.13243	22.8
151.07555	2.9
156.09343	3.6
157.06425	2.7
157.10115	16.4
158.10783	2.8
159.08104	2.9
159.11696	25.4
161.06064	3.5
161.09605	8.3
161.13239	25.1
163.11201	4.7
163.14789	31.8
165.09120	4.6
167.06921	3.7
169.10144	3.4
171.11688	13.0
173.13232	26.0
175.07539	3.1
175.11131	6.4
175.14781	29.5
177.12750	6.5
177.16345	18.8
183.11594	3.4
184.05920	3.9
185.13228	7.9
187.14789	42.4
189.12769	6.5
189.16380	27.8
191.10493	2.8
191.14270	35.1
191.17914	28.0
197.13219	3.6
199.14771	13.4
201.16365	18.0
203.14291	9.0
203.17931	100.0
204.18307	4.4
205.15822	18.2
209.15309	24.6
211.14806	5.1
213.16365	6.9
215.14323	3.6
215.17934	5.4
217.15800	14.9
219.13812	3.8
219.88348	2.5
221.15349	5.0
227.17905	3.5
229.19366	3.8
231.17548	3.0
235.16872	3.0
253.15855	3.4
269.11398	2.9
281.24750	5.6
353.13818	3.5
407.32950	12.6
413.35052	2.3
425.34009	8.2
443.22037	4.2
443.34824	10.7
444.21255	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	443.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	15.9
57.02049	3.1
57.07068	5.6
59.04972	3.6
61.37329	2.9
64.72832	3.2
67.05504	27.0
68.49117	3.2
69.03419	3.9
69.07052	14.9
69.49970	5.5
69.50378	29.7
79.05467	18.4
81.07056	42.9
81.53797	3.0
83.04979	6.7
83.08599	7.4
91.05455	14.5
93.07038	41.8
95.04956	5.2
95.08588	92.5
97.02856	3.6
97.06538	4.4
97.10165	8.3
98.20719	5.8
99.08061	5.6
105.07022	34.2
107.08580	61.2
109.06514	5.9
109.10143	60.4
111.08046	4.7
111.11710	3.4
119.08561	33.8
121.10116	58.1
123.08052	8.4
123.11684	20.0
125.09623	3.6
131.08546	6.8
133.10123	39.0
135.11667	39.5
137.09572	3.8
137.13252	7.7
139.11092	5.2
145.10109	15.0
147.11662	22.1
147.76027	3.4
149.09592	11.3
149.13252	24.2
159.11685	19.2
161.13205	19.5
163.14789	25.5
166.08049	3.8
173.13281	14.5
175.14795	23.0
177.16394	17.3
185.13277	4.9
187.14804	9.7
189.16364	12.1
191.17915	55.2
199.14864	7.1
201.16377	13.4
203.17862	20.0
205.19753	3.8
207.88274	3.4
213.16342	4.8
215.18011	6.5
217.19424	26.5
219.17366	8.2
221.18871	5.6
229.19421	4.7
231.21033	6.6
235.20540	23.6
241.19536	3.5
271.20517	3.9
273.22131	9.2
329.28152	4.1
407.32874	17.7
425.33914	12.8
425.38580	5.3
429.68060	3.8
430.29184	3.7
443.34955	100.0
444.35403	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	443.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	17.3
57.03407	5.5
57.07069	7.8
67.05483	26.5
69.07056	23.9
70.77100	4.3
70.77450	10.4
79.05479	15.7
81.06602	5.4
81.07043	58.6
83.08598	14.7
83.53518	3.2
89.29933	3.4
90.19485	2.9
91.05453	15.6
93.07033	40.4
95.04960	5.2
95.07999	6.5
95.08589	100.0
97.10149	11.8
99.08076	5.4
102.28378	3.0
105.07004	35.7
107.07904	5.4
107.08581	63.5
109.10148	59.4
111.11687	3.7
117.07008	3.9
119.08550	48.5
121.10116	53.5
123.11709	27.1
125.09599	4.0
131.08527	4.5
133.10088	28.6
135.11673	37.4
137.13283	5.0
143.32115	3.1
145.10080	9.2
147.11674	31.0
149.13242	29.2
156.84755	3.1
157.10114	6.0
159.11652	17.1
161.13219	27.8
163.14783	29.6
171.11658	5.5
173.13234	11.3
175.14772	21.0
177.16325	27.0
179.14281	7.9
185.13165	3.1
187.14795	11.9
189.16347	19.8
191.17902	46.4
201.16449	8.9
203.17921	24.2
205.15839	4.6
205.19496	9.0
207.17441	6.0
215.17984	6.0
217.19472	30.4
221.19026	11.2
231.20941	5.2
235.20538	15.4
268.40997	3.6
395.36862	5.1
407.36783	5.9
413.37689	10.1
425.32584	4.2
425.38208	24.4
432.79810	3.8
443.34210	41.2
444.35110	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3877
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
50.65984	3.3
55.05490	14.0
57.07055	10.7
57.39531	3.8
57.70573	3.4
67.05490	33.8
69.07053	33.9
71.04967	7.4
71.71089	5.3
72.04221	2.8
79.05455	17.9
81.07048	63.3
83.08605	11.0
91.05454	14.6
93.07032	62.6
95.08007	6.5
95.08595	100.0
96.08928	4.3
97.06554	4.1
97.10134	11.1
99.08060	7.7
105.07014	34.5
107.08574	81.6
109.10132	80.4
111.11697	3.6
119.08544	54.3
121.10129	64.9
123.11698	35.8
127.11147	20.2
131.08521	9.8
133.10103	58.6
135.11668	74.8
137.13229	17.5
145.10118	20.6
147.11668	48.1
148.11922	3.4
149.13234	42.6
159.11722	19.7
159.12912	3.8
161.13217	39.9
162.82281	3.4
163.14748	24.4
168.32726	3.4
173.13239	7.2
175.14798	15.5
177.16302	8.5
185.13130	3.4
187.14841	5.3
189.16394	20.4
191.16144	4.7
191.17900	99.1
192.18367	5.4
199.59984	3.4
201.16377	15.4
203.17949	40.0
205.19519	12.0
215.18019	9.9
217.19510	49.1
219.21101	4.7
229.19548	3.7
235.20547	7.9
407.36850	9.2
414.60291	3.5
425.32758	4.9
425.37845	57.2
443.18225	9.8
443.33963	8.1
443.39285	10.9
444.19125	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	443.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.05513	18.6
57.07040	5.0
67.05495	31.3
69.03407	4.5
69.07057	21.5
69.49680	10.2
69.50107	14.5
71.04994	3.3
71.08630	2.9
79.05479	20.3
81.06611	4.1
81.07050	61.1
83.08605	14.9
85.06506	3.4
91.05460	17.6
91.10725	2.9
91.96438	2.4
93.07023	50.3
95.04935	5.5
95.08595	100.0
95.09200	5.5
97.06511	6.9
97.10159	7.8
98.98453	18.3
99.08071	7.4
105.07014	39.3
107.08581	82.8
109.06508	5.4
109.10143	76.4
111.08059	6.3
111.11688	4.3
113.65006	3.1
117.07004	8.5
119.08560	42.3
121.06499	4.6
121.10127	56.0
123.08061	6.5
123.11706	27.1
125.09591	5.3
127.07567	3.0
129.07005	2.6
131.08562	14.7
131.09431	2.7
133.10104	44.8
135.08047	11.9
135.10674	1.9
135.11674	47.4
137.09596	8.3
137.13228	8.8
139.11115	2.4
143.08559	7.3
145.10110	21.2
147.11667	38.2
149.09572	5.7
149.13261	26.6
151.11192	3.2
151.14862	4.0
155.00996	14.8
155.08484	3.8
157.10088	9.9
159.11653	18.9
161.09624	5.3
161.13229	24.6
162.19788	2.7
163.11214	3.2
163.14821	23.1
165.09108	26.0
169.10062	4.1
171.11661	7.5
172.12460	2.7
173.13232	13.2
175.11084	3.7
175.14836	15.8
177.16379	16.4
179.14258	6.7
183.04189	15.6
183.11588	3.1
184.12059	2.8
185.13254	10.8
187.14783	18.7
189.16373	30.3
191.17924	24.3
193.15866	2.7
196.19548	3.0
197.13165	3.9
199.14743	4.8
201.16396	19.9
203.14404	11.8
203.17967	21.2
205.15887	27.5
205.19582	5.4
207.17450	8.7
213.16386	4.2
215.17851	9.5
217.15938	5.1
217.19528	10.6
218.19701	3.3
219.17503	3.4
221.18925	5.1
227.18021	3.5
231.21182	3.0
233.18919	3.8
236.35742	2.8
241.19377	3.0
261.22101	7.3
331.40390	2.7
337.25336	3.0
407.32898	24.5
425.33517	51.9
426.34238	5.6
443.34280	36.6
443.39487	11.6
444.35153	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25846	2.7
53.87605	2.5
55.05509	16.7
57.03408	4.9
57.07066	6.2
57.83292	2.5
65.03930	3.6
67.05489	35.9
69.03425	4.9
69.07057	25.9
69.38551	29.9
70.42776	2.3
71.08629	2.9
73.37110	2.9
79.05474	25.3
81.03384	5.5
81.07041	72.3
82.07391	3.8
83.08605	14.5
85.06493	3.6
91.05444	16.3
93.07030	50.0
95.04974	5.5
95.08587	100.0
96.08932	2.7
97.06538	6.5
97.10142	13.0
98.98431	19.7
99.08071	7.1
105.07018	31.5
107.08574	75.7
109.06512	5.3
109.10134	85.3
110.10521	3.7
111.08078	4.9
117.06982	6.3
119.08562	49.7
121.10119	55.0
123.08049	7.4
123.11662	24.2
124.68542	2.6
125.09610	7.7
127.11179	6.1
131.08551	10.2
133.10098	38.4
135.11668	44.3
137.09596	2.8
137.13199	12.7
139.11133	3.4
143.08551	7.1
145.10098	18.0
147.11658	27.5
149.13211	25.4
155.01025	16.8
157.10088	8.2
159.11687	15.4
161.13225	29.4
163.14798	33.8
165.09070	13.8
165.12770	6.1
165.57848	2.5
171.11626	6.2
173.13258	8.4
175.14836	12.6
177.16371	10.9
179.14252	9.6
183.04112	15.7
185.13237	4.8
187.14807	12.0
189.12602	2.9
189.16362	21.4
191.17920	34.0
201.16365	10.6
203.17917	26.6
205.15872	6.6
205.19513	5.4
207.17368	8.9
215.17953	7.2
217.19545	17.6
219.17532	3.6
221.18983	4.6
227.85268	3.1
229.19424	2.7
233.19081	3.0
235.20511	6.0
237.39667	2.7
241.19481	3.2
245.22792	3.6
261.22131	7.5
267.31415	3.2
273.22110	3.6
275.19699	2.6
299.27301	3.0
315.61911	3.1
407.32483	5.2
407.37061	4.2
425.32877	5.8
425.38632	23.9
443.18994	4.3
443.33984	17.9
443.39087	14.2
444.40292	3.4
467.31302	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13368	1.6
53.03933	4.0
55.05321	1.6
55.05506	17.7
57.07068	4.7
59.79016	1.7
67.05492	25.9
69.07063	21.1
70.00748	1.9
70.32510	7.1
71.04961	2.9
79.05470	17.5
80.04731	2.3
81.07049	57.6
83.08586	14.3
91.05484	15.5
93.07037	33.9
95.04955	4.9
95.08593	100.0
96.08923	2.4
97.06532	4.3
97.10151	6.6
98.20811	3.2
99.08086	7.8
105.07005	30.6
107.08578	50.8
108.08897	2.9
109.06523	4.7
109.10136	54.1
110.10448	3.1
111.08064	4.7
111.11746	2.7
117.07013	4.8
119.08561	48.3
121.06477	2.4
121.10121	43.1
122.10439	3.1
123.08065	4.2
123.11690	27.0
125.09592	2.9
127.07545	4.2
129.06920	2.5
131.08537	14.2
133.10124	32.6
135.08041	3.4
135.11682	34.7
137.09596	3.7
137.13237	26.2
143.08553	6.5
145.10109	24.4
147.08020	4.4
147.11659	25.1
149.09567	4.8
149.13208	17.5
151.14761	2.1
157.10147	13.1
158.10573	2.5
159.11674	16.9
161.09576	3.9
161.13239	22.5
163.11168	4.7
163.14850	18.6
165.09140	3.8
165.12807	2.1
169.10074	5.1
171.11661	7.9
172.12224	2.3
173.13214	15.2
175.11311	2.8
175.14809	14.5
177.12762	3.0
177.16389	9.9
179.14273	3.1
183.11674	5.2
185.13255	7.4
187.14833	15.9
189.16359	18.2
191.14368	3.0
191.17908	29.3
197.13190	2.2
199.14844	7.6
201.16367	10.6
202.16699	2.2
203.14331	5.9
203.17957	15.0
205.15901	9.8
207.17419	8.1
213.16347	7.7
215.17943	8.4
217.15855	6.2
217.19531	10.9
219.17403	4.7
221.18936	3.6
223.14789	2.2
225.16391	3.3
227.17908	3.8
229.19543	6.4
231.17456	5.6
231.21074	3.7
233.18828	2.3
235.16924	2.5
235.20505	11.8
245.18971	4.4
245.22737	2.9
253.19460	2.8
297.25974	2.2
301.25320	2.4
353.28238	3.7
395.36569	3.5
397.34381	2.5
397.38837	2.2
401.34097	6.1
407.32840	12.6
413.37735	4.2
416.25027	2.1
425.32825	13.4
425.37772	14.6
443.34790	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03312	1.7
53.03931	2.0
56.05024	9.4
57.03419	3.2
61.02914	1.6
69.03415	7.3
70.06580	9.4
71.13962	3.7
71.14294	2.2
72.08136	2.3
73.02911	2.5
73.04753	3.2
74.06069	100.0
81.03403	6.1
83.04948	2.0
84.04501	4.4
84.08128	4.1
85.02875	10.3
86.06053	7.3
86.09695	4.4
87.04458	7.2
91.05817	11.6
97.02879	6.4
98.06044	8.5
99.04501	1.7
102.05531	4.6
109.02858	7.8
111.05562	2.0
116.07076	51.1
120.06549	19.7
121.02798	1.9
127.03912	5.4
128.08174	2.6
137.02321	6.4
144.06534	61.2
144.07671	3.2
145.04967	4.3
151.46236	1.7
154.04951	2.4
162.07610	8.3
167.05510	6.3
167.06882	2.9
195.96928	1.7
225.04338	1.5
229.08980	1.7
240.08669	3.5
270.09763	13.9
288.10715	5.9
290.13458	1.8
295.92834	1.8
306.12192	1.8
330.44040	2.0
359.02634	9.1
426.14447	2.5
444.09839	2.3
444.15677	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32462	0.3
53.03938	0.3
55.01860	1.0
56.96528	0.3
57.03428	1.8
59.04991	2.0
61.02924	1.4
66.75922	0.3
67.93939	0.2
69.03041	0.4
69.03416	6.7
70.06577	0.9
70.40083	0.2
71.04973	0.8
71.69447	0.6
73.02897	0.6
73.04723	0.5
73.06550	0.5
74.06059	0.5
75.04454	0.6
81.03403	1.1
85.02378	0.6
85.02888	9.2
85.06508	0.5
87.04458	4.6
91.05786	2.5
94.04018	0.5
95.04974	0.4
96.46262	0.3
97.02879	3.9
98.97565	1.5
99.04440	0.7
101.06002	2.9
103.07565	0.4
109.02853	1.0
111.04417	0.5
115.03930	2.3
116.07045	0.4
116.98599	0.9
119.03545	0.8
121.06474	0.7
123.07999	0.3
127.03904	1.2
128.98605	0.3
129.05457	1.2
134.99644	0.9
136.06160	100.0
137.04552	0.9
137.06537	0.5
145.04935	1.1
146.99704	0.3
147.06516	3.9
149.04457	0.3
149.05937	0.7
150.06410	0.3
154.83644	0.2
167.05525	0.9
167.06999	0.5
176.03882	0.3
177.00664	0.6
190.28110	0.3
191.03955	0.3
219.01782	0.7
222.11143	0.3
225.04272	0.4
237.02811	0.7
259.04828	0.3
281.19455	0.3
282.11932	9.0
283.04813	0.3
298.11377	0.8
325.05914	0.4
359.02789	1.2
403.09149	0.5
444.17407	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96302	1.8
56.96555	19.6
69.03398	1.7
70.06576	1.4
71.04961	1.2
71.70111	2.0
71.95254	1.5
72.08157	1.0
73.02907	1.5
73.04751	6.1
79.05457	2.2
81.03402	3.5
83.06121	1.4
84.08127	1.4
84.95540	1.7
84.96019	20.1
85.02884	3.0
86.06059	1.4
91.05792	32.8
93.07017	1.5
94.13100	1.0
97.02876	2.2
98.97564	100.0
102.97040	3.8
110.97519	6.2
114.07336	1.8
116.98598	74.8
119.01837	1.7
119.04917	1.8
121.06487	2.1
121.75748	0.9
127.03917	1.3
128.98592	13.2
131.00157	1.6
131.01801	0.9
131.04883	8.4
134.99635	44.7
136.06178	1.2
140.00163	3.7
143.00119	2.9
143.53523	1.1
145.04916	1.1
146.99629	12.4
149.01149	2.7
149.04431	1.4
149.05966	2.5
153.00674	4.8
158.01237	1.7
158.99638	25.0
161.01181	5.2
161.02917	2.4
162.99078	1.4
165.96690	0.9
167.05536	11.5
167.06950	2.0
170.99654	2.0
177.00688	46.0
177.02057	2.0
179.00121	3.7
183.03114	1.1
189.00681	3.6
191.03818	2.2
195.01746	3.6
195.03307	2.5
197.01224	9.8
199.02802	1.6
200.02299	4.7
201.00597	1.6
204.05495	1.2
205.01666	5.2
207.03233	3.3
211.02693	3.5
215.02322	1.4
219.01724	22.8
221.01073	1.7
223.02748	21.0
225.04237	7.5
227.02179	3.9
228.03429	1.0
237.00331	1.9
237.02769	32.6
239.02206	1.5
241.03755	6.9
255.03728	2.2
259.04865	2.1
265.03909	15.3
265.11743	1.4
269.78342	1.2
272.06476	4.3
277.03723	1.5
279.03851	3.0
283.04831	39.9
295.04688	1.3
301.05862	4.6
306.06427	3.4
307.04568	2.0
323.04309	2.9
325.05771	12.3
341.05460	1.1
342.99768	4.0
343.07019	1.3
349.05911	4.2
359.02817	21.3
367.06882	4.5
385.08011	10.8
402.97998	1.3
403.03745	2.5
403.09048	44.1
404.09402	1.9
426.10175	2.2
429.09079	1.8
445.10101	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.5
55.01860	1.5
55.05482	1.0
56.16379	0.8
56.96554	7.1
57.03412	2.6
58.99860	0.8
61.02905	2.9
65.03922	1.2
67.05482	2.9
69.03417	9.8
69.58893	6.0
70.06585	0.7
71.04977	1.4
72.08155	0.7
73.02896	2.0
73.04751	1.8
77.00876	1.1
79.05480	7.9
81.03409	8.6
81.04523	1.9
81.07051	3.9
82.99863	2.0
83.04972	2.6
83.94422	0.7
84.08125	1.0
84.96016	4.8
85.02896	11.0
86.99310	0.9
87.04429	1.3
91.03925	0.8
91.05458	6.1
91.05878	1.9
93.07021	1.2
95.04967	7.1
97.02865	6.5
98.96970	0.9
98.97574	11.1
99.04442	0.8
101.00858	11.3
105.00356	2.0
105.04534	0.9
106.24113	0.7
107.04947	5.4
109.02853	2.1
109.06482	3.3
110.97556	3.0
111.04435	4.3
112.99127	1.0
113.00858	2.0
115.02298	1.6
116.98631	4.8
117.03699	0.9
119.01906	42.2
119.04892	3.6
120.01997	1.3
121.06503	1.8
122.07130	1.5
123.04411	11.6
127.02383	1.2
127.03876	2.9
128.02235	1.1
128.98579	3.1
131.01894	14.1
131.04924	2.4
133.03432	2.7
134.99663	1.8
135.04405	4.5
136.06215	0.9
137.02951	8.2
137.05934	2.1
139.09758	3.2
142.03461	1.1
143.00108	1.9
143.01878	30.6
144.02025	1.8
145.03429	7.7
145.04959	2.7
146.99617	3.5
147.01393	1.2
147.04303	6.1
149.02943	1.6
149.05984	1.8
152.05734	4.4
152.06743	1.1
153.03931	1.0
153.05443	0.8
154.03824	1.9
155.01866	9.5
155.04552	1.2
156.02615	1.0
157.03510	7.9
158.99591	3.0
159.04973	1.2
161.02937	100.0
162.03047	5.3
163.04417	3.1
165.04120	0.9
165.05472	1.6
167.01964	1.4
167.05540	3.9
167.06921	1.2
167.09258	2.8
169.03474	4.5
171.04997	2.7
173.01411	0.9
173.02931	14.8
175.04547	2.3
177.00726	5.7
177.02214	1.3
179.00206	1.1
179.02362	1.1
179.03998	3.1
181.01862	1.1
181.03427	4.2
181.04890	1.3
183.05025	6.4
183.06436	1.2
184.04562	4.2
185.02930	7.5
185.06552	1.8
187.02820	0.9
187.04437	2.1
189.00743	1.9
191.02003	1.0
191.03957	2.6
192.08186	0.9
193.03416	8.9
193.05109	1.0
195.05112	4.1
196.04596	0.9
196.07809	0.7
197.01181	2.8
197.02936	6.8
197.06522	1.0
199.02849	1.2
199.04477	4.8
201.00677	0.8
201.05974	1.0
203.03979	48.1
204.04156	2.2
205.03352	4.1
207.05014	2.7
209.02986	2.1
210.09283	2.9
211.02759	0.8
211.04495	13.8
213.00572	0.8
213.04266	1.3
213.06067	2.7
215.03992	2.9
217.03500	3.3
217.05353	0.9
218.04333	0.9
219.01678	5.0
219.05064	1.8
220.58417	0.8
221.03117	1.4
221.05020	37.8
221.07190	1.8
222.05327	2.3
223.02701	7.2
223.04538	12.1
224.04852	1.2
225.06055	2.3
227.04076	1.5
229.05609	1.9
231.03453	1.1
235.04466	19.0
236.04559	1.1
236.07089	1.1
237.02783	7.4
237.05977	2.1
239.04056	2.0
240.06596	0.9
241.03697	2.2
241.05777	4.3
244.06500	1.7
244.99867	0.9
245.05022	11.4
246.05434	1.8
247.04532	6.8
251.04010	1.2
253.05569	6.5
255.07053	1.2
257.05078	2.5
258.06009	1.3
259.06827	1.0
261.05740	1.1
263.06119	11.0
264.06818	1.3
265.05707	12.5
269.05106	0.9
271.06644	16.0
272.06625	2.2
273.08273	1.8
274.08258	0.9
275.06216	1.0
277.02762	0.8
277.05560	2.3
279.09116	0.9
283.06821	17.1
284.06870	1.1
287.06049	2.5
289.05484	1.1
295.06598	3.8
299.06265	1.2
301.07874	5.0
307.06589	2.9
309.08295	1.8
311.06314	1.0
313.07410	1.5
317.07031	1.1
323.06369	3.6
325.07715	10.8
337.07559	3.8
339.26563	0.9
343.08963	0.9
349.07663	1.8
355.08704	2.3
359.02808	3.8
367.06934	1.5
385.08691	3.3
403.09750	9.4
404.09601	0.9
413.13779	1.3
445.11710	17.1
446.11597	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
55.05497	0.9
56.96556	1.7
61.02935	0.8
65.03921	1.6
67.05503	3.0
69.03420	7.0
70.90734	2.4
73.02925	1.0
73.04734	1.3
77.00903	0.8
79.05485	10.2
81.03406	7.2
81.07043	6.3
82.99866	2.2
83.04970	2.4
85.02892	4.4
91.05428	8.3
95.04958	8.5
97.02892	3.2
97.06517	1.0
98.97580	3.1
101.00859	13.2
101.51581	0.8
103.16341	0.8
105.00354	1.8
107.04951	6.5
109.02932	1.1
109.06509	3.0
111.04442	5.3
113.00878	2.7
113.23570	1.0
115.02456	2.1
116.98633	1.0
119.01904	40.6
119.04913	6.3
121.08994	0.9
123.04414	17.7
127.02361	1.6
127.03893	1.6
128.98656	0.9
131.01881	17.7
131.04881	1.2
133.03455	2.7
135.04436	7.0
137.02933	4.7
137.05977	1.8
143.01874	33.9
145.03450	7.4
146.99590	1.2
147.01375	1.5
147.04366	9.0
149.02942	1.8
153.03944	1.6
155.01874	10.3
155.04533	1.2
156.02647	1.7
157.03438	8.8
159.05156	0.9
161.02942	100.0
162.03102	3.5
163.04427	1.3
165.04063	1.9
165.05479	2.7
167.01843	1.2
167.05551	2.0
168.02684	2.0
169.03435	8.5
171.04993	3.0
173.02934	19.2
175.04553	4.2
177.03914	1.2
179.01828	2.0
179.04013	3.0
181.03435	5.3
183.05019	9.2
183.06467	1.1
184.04639	3.4
185.02917	7.5
185.06668	1.2
187.04546	2.4
188.04906	0.9
191.02040	1.9
191.04054	2.3
193.03441	13.9
195.04988	7.3
196.04500	1.0
197.02963	6.9
197.06628	1.6
199.04453	4.4
201.06178	1.5
203.03981	46.2
204.04355	2.8
205.03360	4.1
207.04962	4.8
209.02905	4.6
211.04512	21.3
213.06174	2.7
215.04007	3.7
217.03397	4.9
217.05421	1.2
219.01793	1.1
219.05043	3.0
221.03111	1.2
221.05005	30.6
223.02550	2.1
223.04498	18.7
224.04654	1.1
225.06111	3.6
227.04076	1.4
229.03490	1.2
229.05569	2.8
231.03436	4.2
234.05798	0.9
235.04491	29.1
236.04782	2.5
237.02675	1.1
237.06078	2.8
239.04228	1.8
241.05554	4.6
244.06630	0.9
245.05029	6.9
247.04501	12.1
247.06642	0.7
248.04723	1.6
253.05559	13.2
255.06480	1.0
257.05115	4.8
258.06088	1.0
261.06000	1.3
263.06097	9.6
265.05579	22.1
271.06625	6.5
273.08231	1.5
277.05624	3.3
283.06607	17.3
287.06128	2.3
289.05612	2.1
295.06772	4.4
299.06122	1.8
301.07742	6.0
307.06528	3.2
309.08307	5.2
311.06186	1.3
313.07806	1.6
319.06592	2.9
323.06061	3.3
325.07687	17.2
337.07578	8.2
349.07779	1.2
355.08707	2.2
359.02823	1.8
367.08841	1.1
385.09457	1.4
403.10818	12.8
415.10730	1.0
445.11914	9.8
446.12308	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43774	1.0
54.47630	1.0
55.01853	1.1
55.05503	4.3
57.03421	3.6
57.07058	1.8
59.49659	0.9
67.05496	12.8
69.07050	5.9
69.38929	12.0
71.04963	1.7
72.73423	1.1
73.87248	1.0
79.05486	12.5
81.03412	1.0
81.07050	16.5
83.08606	2.8
91.05460	16.3
93.07034	17.6
95.08590	12.0
97.06498	1.4
98.20701	1.9
103.03926	1.5
105.07020	18.8
107.08585	12.5
109.10126	3.2
109.48379	0.9
113.00004	100.0
117.06993	6.6
119.08559	24.3
121.10120	9.9
129.05415	1.8
129.06967	3.0
131.08554	12.6
133.10115	16.9
133.95453	1.0
135.08023	1.2
135.11676	9.2
143.08549	4.4
145.10127	11.1
147.08083	1.3
147.11668	13.8
149.13235	5.9
157.10112	4.2
159.11674	8.3
161.13255	20.9
163.14752	2.0
169.02599	20.9
171.11671	6.8
173.13271	6.6
175.14815	12.7
185.13234	8.7
187.03654	16.1
189.12811	1.6
191.11005	1.0
199.14821	3.9
213.16452	1.8
215.17978	3.0
217.19476	4.8
231.21080	3.8
241.19492	28.1
243.21066	1.5
259.20547	31.3
315.23206	4.5
333.24200	36.0
334.24570	1.9
427.22455	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	445.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02611	1.5
55.01882	3.2
55.05504	6.0
57.03428	9.8
67.05500	21.7
69.07059	5.5
70.24615	8.1
71.04981	1.9
79.05481	25.5
81.03390	1.7
81.07046	29.9
83.04945	1.9
83.08608	4.6
85.06548	2.6
91.05473	29.1
93.07032	32.7
95.04980	2.5
95.08597	20.3
97.06531	2.9
103.03967	2.4
105.07019	28.5
107.08586	22.1
109.06488	1.7
109.10131	6.9
113.00008	100.0
117.07032	7.7
119.08556	33.6
121.10153	15.9
123.11681	2.6
129.05481	2.5
129.07002	5.8
131.08554	16.1
133.10107	23.2
135.11671	14.7
143.08542	4.4
145.10120	12.8
147.11659	20.9
149.13260	7.2
157.10132	9.3
159.11699	11.6
160.12099	1.7
161.13252	24.8
163.14784	4.2
169.02589	13.1
171.11679	8.8
173.13254	11.3
175.11198	2.3
175.14828	17.2
177.12689	1.8
185.13240	9.4
187.03647	12.8
187.14784	4.0
199.14796	4.5
215.17996	4.5
217.19588	4.9
231.21082	3.5
241.19505	40.4
243.20938	3.3
259.20554	36.4
275.20007	2.2
315.23151	7.0
333.24213	79.9
334.24609	5.2
336.96915	1.7
394.89673	2.0
427.22360	3.9
441.62619	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.2
55.01850	3.2
55.05506	22.4
57.03412	4.8
57.07035	1.3
57.28676	1.4
58.67397	1.3
59.84422	1.3
65.03922	2.5
67.05495	42.9
69.03397	1.6
69.07052	13.4
69.82508	1.1
71.04966	3.0
71.71372	1.3
71.71777	2.2
73.04709	1.4
79.05481	35.6
81.03382	2.8
81.07042	43.5
83.04937	5.4
83.08603	9.5
85.06494	2.0
91.05444	50.2
93.07027	31.9
95.04961	7.8
95.08593	27.9
96.80404	1.2
97.06483	6.3
97.10126	3.4
99.08013	1.5
103.05433	3.5
105.07011	54.2
107.04950	6.4
107.08569	20.2
109.06473	5.3
109.10128	11.9
111.08036	2.6
112.99970	1.7
115.05416	2.5
116.06166	1.9
117.06270	2.0
117.07003	23.7
117.49937	1.3
119.04882	4.1
119.07757	2.1
119.08562	35.3
121.06464	3.9
121.10117	14.8
123.08005	3.5
123.11617	3.0
125.09583	2.0
128.06137	3.5
129.06989	16.3
131.08543	39.1
133.06430	4.1
133.10107	17.8
135.07971	5.2
135.11618	6.3
137.09550	3.4
141.06943	6.4
142.07715	2.5
143.08534	19.0
145.06435	2.5
145.10095	22.4
147.03496	1.5
147.04376	15.6
147.07977	3.4
147.11658	9.0
149.09544	3.8
149.13200	2.0
151.11133	3.1
155.08524	9.4
156.09230	1.7
157.10095	11.7
159.08041	2.8
159.11656	9.6
161.09566	3.3
161.13196	4.1
163.11147	2.3
165.05417	2.3
167.08533	3.5
169.10094	7.9
171.11647	9.3
173.13187	6.8
175.11055	2.7
175.14726	2.2
179.14153	1.5
181.10043	5.5
183.11583	6.4
185.13161	7.0
187.10965	1.9
187.14732	4.0
189.12672	2.5
189.16393	1.6
193.12323	1.6
195.11620	3.8
197.13161	5.2
201.12712	2.0
201.16267	2.5
205.15746	1.7
207.13719	1.4
207.17360	1.5
209.13249	3.0
211.14793	2.8
213.16338	2.3
215.14090	1.7
219.17409	1.9
223.14723	3.9
225.16273	3.9
227.14244	3.0
229.15680	1.8
233.15213	2.7
237.16225	1.5
241.15758	2.3
247.16812	4.2
255.17284	2.9
259.16855	1.9
261.18295	1.7
273.18378	2.9
281.21060	2.2
308.09311	1.3
325.25290	3.1
335.23752	6.5
343.26138	5.2
350.78973	1.5
353.24661	18.6
354.24872	1.6
359.02701	3.2
371.25668	19.4
380.06012	1.6
380.40930	1.5
389.26767	16.6
427.27472	2.1
445.29211	100.0
446.29520	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	445.294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.2
55.01850	3.2
55.05506	22.4
57.03412	4.8
57.07035	1.3
57.28676	1.4
58.67397	1.3
59.84422	1.3
65.03922	2.5
67.05495	42.9
69.03397	1.6
69.07052	13.4
69.82508	1.1
71.04966	3.0
71.71372	1.3
71.71777	2.2
73.04709	1.4
79.05481	35.6
81.03382	2.8
81.07042	43.5
83.04937	5.4
83.08603	9.5
85.06494	2.0
91.05444	50.2
93.07027	31.9
95.04961	7.8
95.08593	27.9
96.80404	1.2
97.06483	6.3
97.10126	3.4
99.08013	1.5
103.05433	3.5
105.07011	54.2
107.04950	6.4
107.08569	20.2
109.06473	5.3
109.10128	11.9
111.08036	2.6
112.99970	1.7
115.05416	2.5
116.06166	1.9
117.06270	2.0
117.07003	23.7
117.49937	1.3
119.04882	4.1
119.07757	2.1
119.08562	35.3
121.06464	3.9
121.10117	14.8
123.08005	3.5
123.11617	3.0
125.09583	2.0
128.06137	3.5
129.06989	16.3
131.08543	39.1
133.06430	4.1
133.10107	17.8
135.07971	5.2
135.11618	6.3
137.09550	3.4
141.06943	6.4
142.07715	2.5
143.08534	19.0
145.06435	2.5
145.10095	22.4
147.03496	1.5
147.04376	15.6
147.07977	3.4
147.11658	9.0
149.09544	3.8
149.13200	2.0
151.11133	3.1
155.08524	9.4
156.09230	1.7
157.10095	11.7
159.08041	2.8
159.11656	9.6
161.09566	3.3
161.13196	4.1
163.11147	2.3
165.05417	2.3
167.08533	3.5
169.10094	7.9
171.11647	9.3
173.13187	6.8
175.11055	2.7
175.14726	2.2
179.14153	1.5
181.10043	5.5
183.11583	6.4
185.13161	7.0
187.10965	1.9
187.14732	4.0
189.12672	2.5
189.16393	1.6
193.12323	1.6
195.11620	3.8
197.13161	5.2
201.12712	2.0
201.16267	2.5
205.15746	1.7
207.13719	1.4
207.17360	1.5
209.13249	3.0
211.14793	2.8
213.16338	2.3
215.14090	1.7
219.17409	1.9
223.14723	3.9
225.16273	3.9
227.14244	3.0
229.15680	1.8
233.15213	2.7
237.16225	1.5
241.15758	2.3
247.16812	4.2
255.17284	2.9
259.16855	1.9
261.18295	1.7
273.18378	2.9
281.21060	2.2
308.09311	1.3
325.25290	3.1
335.23752	6.5
343.26138	5.2
350.78973	1.5
353.24661	18.6
354.24872	1.6
359.02701	3.2
371.25668	19.4
380.06012	1.6
380.40930	1.5
389.26767	16.6
427.27472	2.1
445.29211	100.0
446.29520	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	445.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.5
55.01860	6.2
55.05504	26.4
57.03421	9.9
57.07066	52.7
61.02895	4.0
64.65720	2.7
65.03929	4.5
67.05494	27.8
69.03423	33.2
69.07051	9.5
71.04966	8.6
71.08616	36.2
71.72297	3.9
73.02888	3.6
74.13655	2.2
76.13045	2.4
79.05457	3.3
81.03403	50.4
81.07046	31.6
83.04966	50.5
83.08618	19.4
85.02879	10.5
85.10159	23.3
91.05842	3.4
93.03407	3.6
93.07021	7.0
95.04921	3.5
95.08595	45.5
97.10142	6.6
98.98444	12.8
99.04408	11.9
105.07036	4.5
107.08591	3.2
109.10140	18.2
109.88042	2.4
111.04427	100.0
111.11691	4.2
119.08585	4.7
123.11668	11.7
125.13256	2.8
128.58154	3.3
129.05457	84.8
131.08498	2.9
153.05383	6.2
155.00992	3.9
165.09084	2.4
165.16356	3.0
171.06465	4.4
183.04149	8.2
189.07552	24.8
221.07675	2.6
239.23674	15.2
280.49179	2.8
349.27252	5.1
353.24948	3.0
359.02737	2.9
385.29343	8.3
427.30283	3.7
445.28970	11.6
445.36581	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	445.3668
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
53.03936	1.9
55.01845	1.5
55.05497	9.0
57.03430	2.1
57.07053	3.1
58.18110	1.2
65.03941	1.3
67.05495	9.0
69.07056	14.8
69.60052	3.7
69.60465	6.3
78.38964	1.2
79.05470	7.5
81.07037	19.0
83.08601	6.7
85.06555	2.2
85.92139	1.2
91.05441	8.2
93.07031	26.5
93.56331	1.3
95.08592	28.6
97.06512	4.6
97.10169	8.4
98.21406	2.8
105.07007	17.4
107.04952	1.4
107.08580	41.5
109.06498	2.1
109.10143	18.5
111.08068	2.0
117.07013	2.5
119.08575	22.2
121.10128	27.1
123.11692	6.4
125.09613	2.6
131.08551	5.3
133.10103	17.3
134.98132	2.5
135.11673	23.4
137.13242	2.7
139.11189	7.3
143.08540	2.6
145.10114	14.6
147.11685	15.7
149.09593	1.9
149.13197	7.3
153.12756	5.4
157.10109	3.6
159.11670	18.4
161.13252	11.1
163.11139	1.8
163.14799	26.5
171.11682	4.9
173.13246	7.3
175.14828	4.5
177.16389	3.9
181.15839	19.5
183.11633	2.0
185.13235	3.4
187.14806	13.2
189.16374	4.0
191.14311	1.6
191.17889	4.9
197.13245	1.6
199.14720	1.7
201.16362	34.3
203.17914	27.6
211.14732	2.2
213.16333	6.0
215.17923	4.1
219.17403	39.1
220.17677	1.8
225.16368	3.3
227.17905	8.0
229.19458	7.6
233.19246	1.4
237.18469	17.1
241.19434	1.8
247.20569	4.8
253.19485	3.8
265.21579	2.1
267.21069	2.3
281.22711	2.4
283.24210	4.3
349.29010	1.9
391.33560	10.3
409.34589	100.0
410.34921	4.6
427.35712	15.3
445.29691	2.3
445.36792	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	445.3669
Annotation	2alpha,3alpha,19alpha-Trihydroxy-28-norurs-12-ene
Peak:m/z	Relative Intensity
53.03937	1.2
55.01855	1.7
55.05504	21.7
57.03422	2.7
57.07070	2.1
64.44157	1.0
67.05491	17.2
69.03417	1.6
69.07060	12.0
69.60622	5.2
69.61033	2.6
71.04985	1.8
73.04709	1.0
79.05476	16.1
81.03403	0.9
81.07044	32.2
83.04942	2.8
83.08605	22.3
84.38792	0.9
85.06517	3.8
91.05436	19.3
93.07031	28.0
95.04955	3.4
95.08589	41.2
97.06510	4.5
97.10152	3.9
99.08075	23.5
105.06330	1.8
105.07013	29.5
107.04909	1.7
107.08573	34.4
109.06506	5.5
109.10142	24.7
111.08082	6.2
112.99995	2.8
113.09608	5.0
115.05433	1.1
116.85587	1.0
117.07008	6.3
118.38927	1.0
119.08562	29.6
119.47708	1.1
121.06484	3.3
121.10124	27.9
123.08067	8.5
123.11694	10.2
125.09566	3.3
128.57625	1.0
129.06970	4.4
129.09077	1.0
131.08557	13.0
133.06491	1.5
133.09331	0.6
133.10104	28.3
135.08052	9.5
135.11664	28.5
137.09630	6.4
137.13257	2.2
139.11177	1.8
141.06970	1.1
143.08533	6.2
145.10118	16.9
147.07982	2.7
147.11659	16.9
149.09575	7.7
149.13251	7.5
151.11134	4.9
153.12646	1.0
155.08528	3.0
157.10130	5.5
159.11674	10.0
161.09573	2.5
161.13248	10.1
163.11148	10.2
163.14760	5.0
165.12749	2.2
167.05528	1.7
169.10132	2.7
170.10995	1.1
171.11639	4.1
173.13219	6.5
175.14828	5.7
177.12717	4.3
177.16362	3.6
179.14273	2.5
183.11649	2.6
185.13242	3.5
187.14804	10.1
189.16379	2.8
191.14285	13.2
191.17906	25.2
193.15857	2.6
195.11658	1.6
197.13087	1.4
199.14798	3.3
201.12747	1.0
201.16367	6.2
203.14325	1.0
203.17929	20.1
205.15894	5.7
207.17432	5.0
209.13403	1.4
209.15340	3.0
213.16367	1.3
215.17940	2.1
219.17404	26.6
221.18991	2.1
225.16298	1.4
225.18419	1.0
233.15457	1.0
237.18420	7.6
241.19560	1.3
245.19063	0.9
257.19031	1.0
259.20767	2.2
269.22714	1.2
271.62793	1.1
273.21902	1.2
280.48001	0.9
287.23526	1.4
295.24304	1.2
309.25830	1.6
327.26834	2.5
333.24213	1.0
335.23456	1.0
343.26480	1.6
345.27982	1.7
353.24649	3.7
353.28485	1.3
359.02960	1.6
371.25894	3.1
389.26898	2.9
391.33560	2.0
409.34634	8.9
427.35703	52.8
428.35822	2.6
445.29727	18.2
445.36676	100.0
446.31046	1.7
446.37100	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	445.367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.9
55.01863	1.5
55.05504	13.2
57.03419	3.2
57.07067	3.8
67.05498	12.3
69.03430	1.6
69.07054	24.1
69.67044	3.0
69.67439	8.9
71.04976	1.6
71.08626	1.4
73.04742	1.4
79.05045	1.4
79.05485	11.7
81.03404	2.8
81.07047	24.1
83.04962	2.2
83.08595	8.9
85.06535	1.7
91.05383	9.4
93.07028	29.3
95.04940	2.0
95.08590	40.0
97.02881	2.2
97.06523	3.7
97.10159	9.9
105.07011	20.1
107.08576	41.1
109.06514	2.4
109.10144	22.9
111.08061	2.4
111.11753	1.8
113.09645	1.7
117.06989	4.7
119.08569	22.0
121.10130	34.4
122.10450	1.2
123.08052	1.5
123.11684	6.7
125.09595	3.0
131.08546	8.6
133.10101	18.2
134.98164	11.5
135.08046	1.6
135.11678	24.3
137.13206	2.8
139.11165	7.5
143.08493	3.0
145.10107	19.2
147.11676	13.5
149.13228	8.5
153.12657	6.4
157.10120	4.1
158.97043	1.2
159.11690	19.3
161.13239	12.0
163.11182	3.2
163.14795	29.7
169.10098	1.9
171.11653	5.1
173.13216	6.6
175.14835	7.2
177.16397	3.8
179.14241	2.6
181.15849	23.6
183.11800	2.4
185.13263	5.0
187.14806	12.6
189.16377	4.2
191.14262	2.6
191.17926	8.0
199.14734	2.4
201.16357	38.2
203.17940	27.3
209.11661	1.6
213.16399	5.7
215.18001	4.2
219.17401	41.8
225.16374	4.3
227.17963	9.0
229.19540	5.2
237.18466	19.1
239.17934	1.7
241.19438	3.0
243.21185	1.8
247.20607	3.4
253.19476	3.5
267.21143	3.2
283.24133	4.6
311.25787	3.5
353.24640	1.6
359.02750	1.9
369.31683	1.4
391.33557	10.9
409.34592	100.0
410.35001	4.7
427.35818	16.0
428.36099	1.3
445.22849	6.0
445.29382	2.7
445.36652	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	445.3672
Annotation	Topsentisterol C4
Peak:m/z	Relative Intensity
54.20794	5.1
55.05506	39.5
57.07069	30.1
67.05493	34.6
69.07061	76.3
71.08610	35.8
71.72792	7.2
79.05478	30.6
81.07040	87.1
83.08591	31.1
85.10170	20.5
91.05478	22.8
93.07043	59.0
95.08595	99.5
97.10175	20.2
105.03170	4.9
105.07024	62.5
107.08582	53.6
109.06476	6.1
109.10120	45.6
109.10705	4.8
111.11703	25.3
117.06994	10.9
119.08547	44.5
121.10134	41.2
123.11678	25.9
125.13286	6.1
129.06956	8.2
131.08546	32.8
133.10094	46.9
135.08066	6.7
135.11684	26.9
137.13239	12.9
143.08539	11.2
145.10095	52.4
147.11646	40.7
149.13269	22.3
151.14819	7.9
155.06998	13.5
157.10077	10.8
159.08002	6.1
159.11682	40.4
161.13229	23.5
163.14796	11.4
165.09131	17.2
171.11655	10.8
173.13272	12.9
175.14861	9.8
177.09027	10.0
179.10742	7.0
185.13242	15.9
187.14853	17.7
189.16403	11.0
191.10654	19.5
193.12294	7.1
199.11229	6.6
199.14867	16.2
201.16458	13.3
203.17941	10.3
205.12308	13.7
209.11737	8.5
213.16273	7.5
231.13756	5.9
245.22562	6.6
247.24219	8.8
255.21187	6.8
261.25931	8.6
263.16324	8.8
269.19098	8.0
273.18430	10.7
287.19958	12.6
287.27158	6.9
319.22583	6.3
329.24551	5.6
341.31900	15.8
343.33502	35.4
367.33606	8.9
385.34811	9.7
427.35794	46.3
430.17426	6.3
445.19879	9.3
445.36795	100.0
446.21112	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40808	6.0
53.07368	5.3
55.05505	31.5
57.07065	82.4
67.05482	20.1
69.07058	80.5
69.51678	55.4
71.08622	56.2
79.05474	12.0
81.06609	6.3
81.07029	36.1
83.01326	14.4
83.04956	13.9
83.08612	44.1
85.10176	28.8
91.05474	12.6
93.07027	21.4
95.08589	32.1
97.10156	34.7
98.21461	14.4
101.09515	6.2
105.06989	12.9
107.08589	18.8
109.06497	56.7
109.10157	15.7
111.11693	18.7
115.03931	7.3
119.08548	19.5
121.06496	7.3
121.10089	11.2
123.08071	17.3
125.13241	7.1
131.08553	12.4
133.10143	8.5
135.08028	27.3
137.05965	100.0
137.09596	12.7
139.07503	30.2
143.08559	8.0
145.10126	11.2
149.09564	21.2
151.07538	42.4
159.11714	6.2
161.09607	20.7
161.13246	9.8
163.07503	17.4
163.11107	10.8
165.09090	70.4
167.06946	10.6
167.33220	6.4
169.08513	8.6
171.11653	15.0
174.10352	9.5
175.11183	17.8
177.09093	18.6
179.10651	15.2
185.13263	9.5
189.12703	19.6
193.08640	7.5
193.12225	14.3
202.09958	8.9
203.10640	10.0
203.14296	14.6
203.56013	6.2
205.12334	11.3
207.13773	26.2
217.12163	12.5
221.15344	13.5
231.13765	9.0
235.16965	12.2
249.21590	5.9
263.20013	8.9
277.21466	8.4
339.05002	6.4
385.34436	32.3
399.36340	31.7
399.40674	6.7
403.35745	19.1
417.37067	45.3
427.35660	38.8
445.36612	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50897	2.3
53.03920	4.8
55.01858	5.4
55.05238	2.5
55.05504	43.5
57.07064	47.0
61.10209	2.3
67.05503	20.1
69.06688	3.9
69.07056	74.8
70.30634	8.7
71.08620	26.9
79.05467	13.5
81.07042	64.2
83.04981	3.4
83.08607	46.5
85.10168	17.6
91.05459	8.4
93.07029	34.2
95.04914	3.6
95.08591	45.8
95.72344	2.1
97.06503	6.2
97.10154	31.3
98.20721	3.4
105.07026	5.5
107.08585	27.4
109.06501	3.9
109.10150	28.2
111.08058	8.1
111.11703	18.8
119.08532	3.6
121.06471	8.2
121.10118	15.7
123.08069	9.4
123.11670	10.2
124.05205	5.9
125.09625	3.0
125.13265	10.5
129.07013	2.4
133.10062	5.0
135.08061	2.1
135.11653	16.0
137.05948	12.5
137.09618	4.4
137.13235	8.9
139.07516	100.0
139.14830	2.4
145.10049	4.0
145.51657	2.2
147.11644	4.1
149.09570	6.5
149.13242	14.4
151.07530	8.0
151.14789	4.6
161.09605	5.2
163.11098	2.5
163.14812	15.0
164.07057	3.0
165.05455	18.3
165.09105	24.2
167.06944	2.3
171.11620	3.2
175.11208	6.3
177.09082	6.3
177.16359	4.5
179.10736	2.7
181.15956	1.9
189.12704	4.5
193.08597	15.5
203.10664	7.4
205.12286	3.1
207.21143	2.5
217.12244	6.2
219.13757	3.1
221.11612	4.6
231.13765	6.8
235.13213	2.5
281.33240	2.1
286.08661	2.4
289.28787	19.0
307.29880	27.6
329.59784	2.3
417.37344	6.1
427.35764	10.9
445.36771	46.5
446.37170	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	446.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.4
55.01838	1.8
55.05492	2.5
56.05029	1.3
56.41742	0.8
57.03410	2.9
58.00473	0.9
60.04518	1.3
61.02906	2.3
67.05474	3.5
69.03072	1.4
69.03417	9.5
69.07055	2.5
70.06565	3.9
71.04973	3.0
71.86256	0.8
72.08141	4.1
73.04734	2.5
75.04466	1.0
79.05473	2.3
81.03390	4.1
81.07042	3.2
82.06534	1.8
83.04958	3.9
83.08594	1.0
84.04491	4.7
84.08116	1.5
85.02895	18.5
85.06516	1.0
86.09689	7.1
87.04430	1.4
87.10015	1.5
91.03905	1.1
91.05761	5.3
93.07021	4.8
94.06561	1.0
95.04940	2.6
95.08598	3.4
97.02879	6.6
97.06487	2.3
98.06044	1.2
98.20657	1.6
99.04418	2.3
105.07011	2.7
107.08562	3.2
108.08114	1.4
109.02853	4.6
109.06505	2.3
109.10130	2.8
111.08085	1.2
116.06976	1.1
117.06908	1.2
119.04897	2.3
119.08552	4.2
120.08071	2.5
121.02804	3.2
121.06483	2.3
121.10106	7.0
122.05962	1.1
122.09644	3.9
123.08062	6.9
124.07553	1.4
124.08356	1.1
125.09579	3.7
127.03908	6.1
131.08533	2.0
132.08060	1.0
133.10072	1.5
135.08054	1.9
135.11667	4.2
136.07581	7.1
136.11142	1.4
137.06044	1.9
137.09596	7.5
138.09163	1.3
139.07520	1.2
139.11122	3.0
143.08591	1.8
145.04898	5.2
145.10138	1.0
147.04359	2.4
147.11630	1.9
148.07532	2.7
148.11198	1.9
149.05898	1.5
149.09579	4.8
149.13176	1.9
153.01813	3.4
157.10060	1.3
159.11639	2.3
161.09520	1.5
161.13246	1.0
162.12708	1.3
163.03896	1.5
163.05946	1.0
163.11172	2.6
164.07033	7.2
164.10596	1.0
165.09067	3.8
166.08629	1.8
166.12302	2.2
167.05545	2.5
167.10651	15.1
168.05489	1.7
171.02858	1.4
172.14589	0.9
173.09598	1.2
175.11105	2.3
177.12761	2.0
179.10571	2.3
180.13831	2.9
185.12997	1.1
187.11119	1.3
189.12785	1.8
191.10503	1.3
192.13797	5.0
195.13701	2.6
204.13850	1.9
205.12318	1.9
207.13820	1.6
215.14270	1.2
222.14787	4.4
223.13240	2.0
230.15311	1.5
231.13745	1.5
240.15869	1.9
241.14383	4.7
243.11281	1.3
248.16403	3.8
249.14871	1.2
266.14581	1.7
266.17349	10.4
266.99893	1.1
271.05966	100.0
283.06085	1.2
284.18533	10.8
285.12125	1.4
290.09998	1.3
359.02524	1.2
360.02765	2.9
361.02792	1.1
428.23001	4.4
446.18814	1.0
446.24069	9.7
446.35620	1.8
447.09070	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.5
55.01851	3.0
55.05487	5.9
56.05018	2.5
57.03423	6.3
58.06584	2.5
59.04977	2.1
60.04489	2.0
61.02913	8.0
67.05486	5.7
69.03416	21.3
69.07035	4.2
70.06577	5.7
71.04980	4.2
71.44436	1.8
71.44772	3.3
72.08133	3.7
73.02903	4.1
73.04738	1.6
75.04422	1.5
79.05469	5.9
81.03400	9.6
81.07050	5.3
82.06577	2.2
83.04974	8.1
84.04493	7.5
84.08122	2.6
85.02886	60.7
86.09679	11.2
87.04432	3.3
87.09991	1.8
91.03940	2.9
91.05451	6.6
91.05891	1.9
93.07019	6.7
95.04956	9.1
95.08572	4.7
97.02876	17.2
97.06522	3.7
97.10140	3.3
99.04430	5.1
99.08060	3.6
103.03916	2.6
105.06995	7.2
107.04963	2.5
107.08566	16.3
109.02857	7.8
109.06497	6.5
109.10126	6.2
111.08035	2.8
115.03884	1.9
119.08556	9.2
120.08083	7.1
121.06465	4.5
121.10139	17.3
122.07274	2.7
122.09605	2.1
123.08052	26.8
124.07643	3.5
125.09602	26.3
127.03891	11.3
129.07010	1.7
130.04968	1.6
131.04910	3.6
131.08572	1.9
133.10110	5.1
135.08067	1.9
135.11656	9.2
136.22960	1.5
137.09593	32.7
138.09038	2.4
138.10016	2.2
139.11115	2.6
143.08566	1.5
145.04927	15.7
145.06023	1.7
145.06529	2.1
145.10088	3.9
146.09563	7.2
147.08041	1.5
147.11635	2.8
148.07568	6.2
148.11142	3.0
149.05949	2.5
149.09589	14.0
152.01659	1.9
153.01761	3.0
159.04387	1.6
159.11671	2.8
162.12752	2.3
163.07516	1.7
163.11121	3.1
164.10666	3.5
165.09073	4.3
166.08603	2.7
166.12201	9.2
167.05536	2.8
167.10648	100.0
168.10974	2.3
171.11697	2.1
174.09068	2.9
176.10710	1.6
177.12732	3.0
179.10654	3.6
180.13768	16.0
189.12677	3.2
192.10149	1.5
195.13739	3.5
197.11679	2.0
203.13792	1.7
204.08453	1.8
204.13849	4.7
205.12199	4.0
207.13693	2.1
218.10159	1.9
222.14850	17.9
223.13289	2.8
230.15326	7.6
232.16917	4.1
241.14337	2.5
248.16467	11.4
266.17447	16.3
270.86612	1.8
271.05948	55.3
284.18521	18.2
311.76642	1.9
342.19836	1.9
359.02560	1.7
360.02756	3.7
361.02457	2.0
387.19821	1.6
428.14340	1.9
428.22797	5.8
446.17703	1.7
446.23929	14.7
447.18149	1.9
473.74518	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.1
55.05482	0.1
57.03409	0.1
61.02906	0.2
65.03919	0.1
67.01859	0.5
67.05476	0.1
68.99785	0.4
69.03403	0.2
70.34798	0.2
70.35198	0.2
73.02888	0.1
79.05474	0.3
81.03378	0.4
81.07053	0.2
83.08576	0.1
85.02866	0.4
86.09665	0.1
91.03922	0.1
91.05428	0.9
93.07018	0.3
95.08570	0.1
96.93809	0.1
97.02860	0.3
98.20679	0.1
105.07022	0.2
107.08562	0.1
109.02862	0.1
109.80834	0.1
116.08980	0.1
117.06969	0.1
119.04157	0.2
119.04926	2.2
119.08538	0.1
120.08080	0.1
121.02847	0.9
121.10072	0.2
127.03891	0.2
129.01804	0.2
129.06931	0.1
131.08521	0.1
133.10103	0.1
136.24109	0.1
137.06018	0.1
145.02802	0.7
149.02312	0.1
149.09558	0.1
153.01796	5.0
157.10204	0.2
163.03906	0.5
171.02898	0.6
173.13304	0.1
175.11089	0.1
187.03926	0.1
193.12286	0.2
203.06976	0.1
211.13177	0.2
211.69954	0.1
225.05396	0.3
227.83580	0.1
229.04947	0.3
243.06491	0.4
247.05931	0.1
257.12778	0.2
271.05954	100.0
272.06287	2.5
283.05945	0.3
285.12329	0.1
285.17145	0.2
313.07181	0.1
328.13715	0.1
415.14691	0.2
429.08453	0.1
429.16095	0.1
447.09106	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0915
Annotation	Baicalin
Peak:m/z	Relative Intensity
67.01864	0.3
68.99784	0.2
70.84394	0.5
76.90902	0.2
79.65273	0.1
91.05470	0.3
94.51780	0.2
98.14632	0.2
119.04928	1.8
121.02851	0.4
125.10375	0.2
129.01787	0.3
130.37471	0.1
144.28566	0.2
145.02844	0.5
153.01801	4.0
154.02257	0.2
163.03889	0.5
171.02875	0.6
174.60678	0.2
225.05373	0.3
229.05000	0.2
243.06476	0.3
247.05862	0.2
268.32257	0.2
271.05966	100.0
272.06339	2.6
447.09210	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01863	1.1
55.05491	3.0
55.05726	0.7
56.23346	0.7
57.03418	1.5
57.07070	1.0
66.79478	0.6
67.05496	5.4
69.03425	5.5
69.07066	4.2
70.06587	0.8
71.01316	0.7
71.04980	1.6
71.70651	0.9
73.02915	0.5
79.05481	5.9
81.03398	2.9
81.07043	10.1
83.04967	2.5
83.08606	1.4
85.02896	5.4
85.06531	1.6
86.09721	0.8
89.03906	4.6
90.97489	0.7
91.05424	4.0
92.04248	0.7
93.07023	7.0
95.04978	3.5
95.08588	8.5
97.02878	6.6
97.06491	1.2
97.10141	1.3
99.04418	1.4
101.97254	0.6
105.07018	6.5
107.04946	2.6
107.08587	5.4
109.02843	1.8
109.06511	2.3
109.10162	4.4
111.04426	1.6
111.08045	1.0
115.05515	0.8
117.03368	6.3
117.06969	1.4
119.04907	0.9
119.08549	5.6
120.04404	0.7
120.08088	1.0
121.06490	1.9
121.10141	4.1
122.05954	0.7
123.08048	1.1
123.11665	2.3
125.05937	2.0
125.09563	0.7
127.03906	3.0
128.06197	0.7
129.07024	1.1
131.08542	2.9
133.10132	3.6
135.04393	14.0
135.05356	1.2
135.08070	1.4
135.11659	2.7
137.05984	2.2
137.09615	0.7
137.13196	1.0
139.03914	1.8
141.06979	1.1
142.07745	1.2
143.08543	2.3
144.09322	0.6
145.02844	10.0
145.06448	1.6
145.10083	4.4
146.60069	0.6
147.04390	1.2
147.08023	1.3
147.11647	3.2
149.02298	1.7
149.05975	0.9
149.09619	1.2
149.13228	1.1
151.07489	1.7
151.11136	0.9
153.01837	0.7
153.05412	1.3
155.08560	1.9
156.09312	0.8
157.10100	2.4
159.11697	3.4
161.09550	1.6
161.13167	1.0
163.03886	100.0
163.11150	0.7
164.04225	1.9
166.08620	0.9
167.05627	0.8
167.06993	1.1
169.10098	1.1
171.11638	2.6
173.13237	2.3
175.07506	0.8
175.11143	0.9
175.14796	1.5
177.05417	1.3
177.09088	1.2
177.12663	0.7
181.04950	2.4
183.11703	1.8
185.13277	2.0
187.11188	0.9
187.14822	1.8
191.06990	0.7
191.10689	1.1
197.13161	1.5
199.14815	1.7
201.16292	0.8
203.14308	1.1
205.08476	1.0
211.14847	1.5
243.11285	0.8
257.12845	2.9
267.15805	0.9
267.21078	1.2
271.05994	15.5
272.06281	0.9
275.16394	0.9
285.07465	0.9
285.12381	3.4
301.06900	1.0
301.18027	0.8
307.08105	0.9
325.09100	7.5
325.12579	0.8
355.09149	0.7
361.02640	0.7
393.27170	0.7
411.28769	1.8
429.29999	3.1
447.17575	2.2
447.29260	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.6
55.01849	0.6
55.05503	1.8
57.03429	2.6
59.05006	0.2
61.02918	5.7
65.03915	0.2
67.01855	0.5
67.05498	2.8
68.99789	0.4
69.03420	2.9
69.07043	0.6
70.06602	0.2
71.01329	0.5
71.04977	0.9
71.50172	0.5
73.02908	2.7
75.17886	0.2
79.05480	3.2
81.03403	7.7
81.07044	3.3
83.01285	0.2
83.04966	2.2
83.08606	1.8
84.08092	0.2
85.02892	7.6
85.06500	0.4
86.14917	0.2
87.04447	0.4
91.03944	3.0
91.04915	0.3
91.05461	5.0
93.07030	2.8
95.04954	2.9
95.08578	1.1
97.02871	4.7
97.06506	0.6
99.04438	0.8
101.02380	1.2
103.03916	0.6
105.07019	3.6
107.04935	0.8
107.08587	1.4
109.02840	1.3
109.06486	0.8
109.10149	0.7
111.04414	0.3
111.08076	1.5
113.05952	0.3
115.03912	0.5
115.05415	0.2
117.06991	0.3
119.04922	2.4
119.08547	2.6
121.02854	0.8
121.06480	0.5
121.10126	1.1
122.05991	0.2
123.08012	0.5
123.11696	0.4
125.09608	0.2
127.03879	2.1
129.05447	0.5
129.06964	1.6
131.08549	1.9
133.06458	0.3
133.10126	2.5
137.05865	0.2
137.09554	0.4
142.07722	0.4
143.08475	0.3
145.02805	0.4
145.04935	0.7
145.10072	0.8
147.08060	0.3
147.11674	2.0
149.09569	0.8
153.00642	0.4
153.01805	5.2
154.02129	0.2
155.08496	0.2
157.10098	2.4
159.11649	0.3
163.03888	0.4
163.11115	0.2
163.88089	0.2
167.07037	0.3
169.10130	0.2
171.02873	0.6
171.11542	0.3
173.13199	0.2
175.11156	2.0
193.12216	6.2
197.13290	0.3
199.14809	0.3
201.07535	0.3
203.14262	0.2
211.11209	0.3
211.13255	6.1
225.05365	0.3
229.04991	0.3
243.06416	0.4
257.12778	0.4
267.15811	1.0
271.05963	100.0
272.06302	8.8
283.05911	0.5
285.12228	0.3
285.16898	5.0
286.17163	0.2
411.19662	0.2
429.21329	0.3
429.27844	0.2
447.09125	1.8
447.22131	0.7
447.28308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.25
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47638	1.5
54.10746	1.6
55.05502	11.2
57.03430	15.4
57.07060	3.0
59.76289	1.9
60.54467	1.6
62.73337	2.0
65.03943	2.1
67.05494	42.8
69.07068	9.7
70.14339	9.4
71.04980	2.2
74.73328	1.9
78.52403	1.7
79.05491	21.6
81.07044	48.8
83.08611	5.1
83.41486	1.8
91.05470	12.1
93.07033	31.3
95.04941	2.8
95.08592	36.3
97.10158	4.7
98.98457	6.0
105.07021	9.5
107.08583	17.0
109.10146	17.5
113.00003	100.0
117.06959	2.8
119.08582	6.5
121.10132	14.2
123.11702	7.1
131.08546	6.8
133.10103	7.8
135.11679	8.9
136.99982	5.5
137.13258	3.1
145.10123	6.4
147.11685	6.9
149.13240	5.1
155.01091	3.5
159.11697	5.2
161.13300	3.0
163.14816	5.5
169.02603	24.7
173.13240	4.2
187.03680	9.4
187.14795	2.9
233.22839	2.2
243.21066	7.9
261.22147	20.4
307.76151	2.2
317.24750	5.6
335.25760	71.6
447.25085	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	447.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
55.01868	2.4
55.05501	15.2
56.94311	2.4
57.03431	18.7
57.07062	4.4
67.05498	43.4
69.07062	17.4
70.13479	13.3
71.08623	2.0
79.05499	19.7
81.07045	47.1
83.08614	12.4
91.05466	13.6
93.07033	34.3
95.08598	40.6
97.06532	2.7
97.10180	3.8
98.98438	13.8
105.07008	12.8
107.08573	17.4
108.63712	2.1
109.10138	16.5
113.00002	100.0
119.08580	7.9
121.10114	15.6
123.11702	7.6
131.08542	7.8
133.10121	10.1
135.11674	11.9
136.99974	12.5
137.13260	4.8
145.10124	6.0
147.11674	6.5
149.13260	6.8
155.01077	11.0
159.11693	5.0
161.13263	5.0
163.14815	2.5
169.02579	31.3
173.13240	4.5
187.03674	10.1
193.02577	3.2
211.03548	2.6
243.21173	7.2
261.22058	22.8
277.21765	2.5
311.25708	13.7
317.24673	10.5
335.25778	89.3
336.26105	4.9
336.64688	2.6
336.68774	2.2
447.25143	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18450	1.6
52.38386	1.5
53.03936	3.0
55.05511	5.8
57.03436	6.0
67.05489	21.8
68.17259	1.6
69.07064	5.5
71.08643	1.6
71.15219	1.6
71.15570	4.2
79.05474	16.6
81.07043	26.1
81.07487	2.4
83.08593	3.3
91.05458	11.1
93.07034	23.2
95.04968	3.4
95.08602	20.4
105.07054	8.6
107.08578	13.5
109.10178	6.3
113.00001	100.0
117.07030	2.2
119.08601	6.6
121.10101	11.5
123.11676	2.3
131.01059	1.9
131.08565	7.8
133.10147	6.1
135.11676	8.4
143.08600	1.9
145.10130	5.0
147.11723	3.2
149.13232	7.8
159.11707	3.8
161.13306	3.8
163.14867	4.6
167.69513	1.8
169.02602	58.5
170.02826	1.6
173.13272	5.7
175.14815	3.0
177.16345	2.4
187.03680	6.8
187.14932	2.2
187.23364	2.0
187.58180	1.7
233.22784	2.2
243.21089	13.5
261.22125	23.9
262.22598	1.9
272.24170	1.8
317.24753	8.0
335.25763	32.8
336.26160	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.5
55.05500	9.4
57.03425	11.2
65.03922	2.4
67.05493	44.5
69.07058	8.4
70.01785	8.4
70.02199	4.4
79.05482	32.7
81.03417	7.9
81.07046	39.5
83.04972	3.5
83.08604	6.9
87.63649	2.7
91.05474	21.2
93.07032	37.3
95.04959	4.7
95.08588	24.9
95.39699	2.3
97.06497	3.4
98.21416	2.5
98.44994	2.1
105.07016	15.8
107.08585	21.3
109.10122	10.2
111.08069	3.1
113.00002	100.0
113.00796	5.3
113.22049	2.0
117.07027	5.6
119.08570	9.3
121.10084	10.6
123.11693	3.6
129.06992	3.8
131.08527	8.9
133.10121	7.9
135.11670	10.1
145.10112	8.1
147.11638	5.2
149.13234	6.4
159.11650	6.5
161.13242	5.4
163.14864	5.9
169.02592	49.3
173.13240	4.9
175.11148	2.8
177.16472	2.5
185.91539	2.2
187.03650	8.5
187.14848	3.1
203.14262	2.4
216.31894	2.2
221.70015	2.1
233.22612	3.0
243.21077	15.5
260.34534	2.2
261.22125	27.2
271.06168	3.7
290.73041	2.5
317.24652	7.2
335.25739	45.5
447.27460	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	447.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	9.9
55.01851	6.6
55.05502	39.9
57.03186	3.0
57.03429	24.4
57.07055	4.1
57.86090	2.4
59.70354	2.6
61.02898	4.0
65.03929	6.2
67.05496	87.8
69.03407	5.3
69.07061	19.8
69.14948	2.9
71.01347	3.4
71.04974	7.8
71.70615	5.0
79.05483	87.9
81.03403	90.7
81.07043	75.8
83.04972	18.5
83.08602	26.8
85.02899	4.0
85.06511	7.7
91.04922	4.4
91.05459	61.5
93.07030	80.0
95.04952	51.0
95.08598	43.5
95.98169	2.9
97.02871	4.9
97.06530	14.7
97.10147	19.7
99.08093	5.1
103.05423	3.6
105.07022	49.4
107.04957	14.7
107.07906	4.2
107.08582	49.4
109.06499	11.2
109.10150	17.4
111.04411	3.1
111.08043	11.6
113.00000	43.9
113.57539	2.4
115.05471	4.9
117.06982	18.7
119.08572	29.2
121.06489	14.4
121.10120	21.7
123.08051	6.2
123.11650	9.4
125.09613	12.5
129.06984	17.6
131.08556	26.6
133.06450	7.9
133.10106	21.5
135.08075	5.3
135.11671	50.9
137.09575	4.7
141.07010	2.8
143.08551	12.6
145.06444	10.2
145.10092	22.0
147.08025	10.0
147.11678	14.3
147.23547	2.8
149.09584	11.1
149.13225	5.3
151.11186	4.0
155.08594	6.2
157.10117	19.2
159.08099	3.3
159.11682	9.6
161.09575	4.8
161.13161	3.9
163.11142	8.2
163.14870	4.9
165.12772	5.2
169.02606	17.4
169.10031	4.3
171.11627	6.1
173.13228	6.6
175.11160	16.4
175.14781	3.7
177.12663	4.1
181.12189	4.5
183.11693	4.4
185.13266	10.8
187.03667	4.9
187.14798	5.6
189.11142	4.1
193.12207	34.4
197.09705	3.1
199.11096	4.5
201.12686	4.8
203.14328	5.6
233.22531	3.5
243.13994	3.0
243.21045	7.5
249.14888	4.9
261.22177	17.0
271.05957	10.4
317.24847	4.8
329.21143	6.4
335.25693	45.9
337.21591	9.7
353.44620	2.9
355.22626	22.9
373.23599	8.7
385.27649	2.9
403.24896	7.8
429.26144	16.3
447.27374	100.0
448.27689	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	447.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39663	1.5
53.00298	1.4
53.03933	6.6
55.01873	8.7
55.05502	29.2
57.03423	13.3
57.07080	1.8
60.26642	1.5
62.77931	1.4
63.74419	1.5
63.82090	1.6
65.03930	3.2
67.05495	59.7
68.05799	1.5
68.89385	1.6
69.03401	5.0
69.07053	16.1
70.32735	4.8
70.33150	3.5
71.01338	3.7
71.04977	4.4
72.77071	1.3
75.47141	1.5
79.05482	60.0
80.88980	1.5
81.03409	87.3
81.07041	40.7
81.66493	1.6
83.04974	13.7
83.08602	24.3
85.02870	1.9
85.06524	5.0
91.05461	47.0
93.07031	53.6
95.04951	48.4
95.08587	21.4
97.06518	11.8
97.10149	14.2
99.08063	3.7
103.05448	2.4
105.07017	33.0
107.04947	14.6
107.08578	31.6
109.06474	7.5
109.10133	12.3
111.04414	2.5
111.08080	10.5
115.05391	3.0
117.06999	17.2
119.04945	2.5
119.08566	25.7
121.06509	10.8
121.10103	15.5
123.08056	6.7
123.11658	1.9
125.09630	8.9
128.06174	3.5
129.07005	18.8
131.04935	3.5
131.08556	18.6
133.06496	7.3
133.10107	13.2
135.08023	6.8
135.11676	47.7
135.12645	3.5
137.09584	3.1
141.06964	4.7
142.07768	2.2
143.08534	9.7
145.06464	10.1
145.10097	14.9
147.08040	7.9
147.11613	9.7
149.02312	3.0
149.09621	10.3
153.09077	1.8
153.12666	2.6
155.08528	4.7
157.10110	12.5
159.08070	2.5
159.11679	6.7
161.09598	4.6
161.13196	2.4
163.11130	10.5
165.12717	2.1
167.08585	2.1
169.10080	2.5
171.08002	1.9
171.11684	2.5
173.09663	2.6
173.13206	2.1
175.11151	16.4
177.12810	1.6
181.10094	2.7
181.12207	6.0
183.11650	2.2
184.07031	1.5
185.13284	5.1
187.11169	4.0
187.14735	2.1
189.11186	4.9
189.12730	2.6
193.12202	31.6
195.11761	2.2
197.13348	1.8
201.12692	2.1
203.10495	2.1
203.14284	7.6
205.12265	3.7
211.11211	1.6
213.12691	1.9
223.13083	1.9
225.12807	2.5
227.12674	2.3
231.13728	2.5
243.13626	2.5
249.14877	5.5
257.15427	2.1
261.50040	1.5
264.54526	1.7
267.16092	2.3
271.05942	10.0
296.59738	1.6
311.19998	2.5
327.23352	1.9
329.21027	13.1
337.21631	7.3
347.22061	4.4
355.22562	16.0
373.23788	10.7
403.24744	11.4
404.24896	1.8
429.26352	13.0
447.27359	100.0
448.27679	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.8
55.01850	8.9
55.05278	2.7
55.05506	35.0
56.86332	2.0
57.03436	10.6
65.03918	5.8
67.05140	4.2
67.05499	80.6
69.03412	6.8
69.07066	18.9
71.01332	2.6
71.04975	4.1
79.05477	71.8
81.02948	4.3
81.03409	75.2
81.07044	52.4
83.04974	17.8
83.08607	24.8
85.06529	7.0
91.05458	62.2
93.07028	62.8
95.04403	3.4
95.04960	46.7
95.08581	22.2
97.06520	14.6
97.10150	18.9
99.08109	3.3
103.05442	2.5
105.07012	37.7
107.04944	17.2
107.08578	38.6
109.02800	2.1
109.06492	8.4
109.10159	10.3
111.04438	2.8
111.08086	10.7
114.27861	2.2
115.05435	3.2
117.07008	20.0
119.04912	4.1
119.08559	29.8
121.06474	16.8
121.10107	14.5
123.08055	5.8
125.09617	11.1
128.06190	4.5
129.06985	22.9
131.04865	5.1
131.08543	27.4
133.06461	9.8
133.10120	17.9
135.08061	10.8
135.11664	41.4
137.05923	2.3
137.09592	5.8
141.06949	5.9
142.07768	2.7
143.08537	12.9
145.06468	15.5
145.10094	18.9
147.08029	5.9
147.11691	10.1
149.09608	8.4
155.08475	6.3
156.04869	2.8
156.73454	2.4
157.06477	3.0
157.10124	17.3
159.08028	4.7
159.11673	9.7
161.09567	5.0
163.11142	12.6
167.08572	3.8
169.10117	6.8
171.07957	3.3
171.11700	3.3
173.09669	4.2
173.13196	2.8
175.11172	13.6
176.98370	2.1
181.12231	7.3
183.08011	3.0
183.11652	5.5
185.13264	11.7
187.11057	5.2
189.11234	5.9
193.12247	29.2
199.11156	2.4
201.12695	3.2
203.14293	7.9
209.13225	2.5
211.13113	3.2
213.12709	3.1
225.12744	2.4
231.13741	3.4
239.14229	3.5
243.13824	3.3
249.14876	4.3
257.15366	3.6
271.06042	9.8
273.18579	2.1
327.23221	3.7
329.21094	5.3
337.21497	12.3
351.96475	2.4
355.22641	30.3
373.23749	8.6
403.24664	5.6
429.26147	16.8
447.27368	100.0
448.28214	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03852	0.6
55.01755	2.1
55.05393	5.7
55.05696	2.5
55.09140	0.5
57.03312	6.4
57.03627	2.5
57.06950	2.2
67.05372	6.8
67.05780	1.9
69.06934	7.8
69.07359	1.7
71.08525	1.3
79.05346	5.7
81.06909	7.3
81.07429	0.8
83.08475	6.3
83.09011	1.0
85.10054	1.0
90.08802	0.6
91.05317	4.9
93.06889	7.9
93.07532	1.1
95.08443	12.4
95.09101	1.6
97.06370	0.7
97.10004	4.2
98.98306	13.6
98.98988	1.4
105.06870	4.9
107.08427	11.5
109.06422	1.1
109.09990	8.9
111.11627	0.8
112.99872	0.8
117.06913	1.0
119.04819	0.7
119.08415	5.2
121.06351	1.6
121.09956	2.9
128.06108	0.7
129.06841	1.8
131.05763	0.6
131.08397	1.9
133.09930	1.7
135.08044	9.6
135.11610	1.4
136.99983	12.8
137.00916	1.0
137.09596	3.9
143.08408	2.3
145.09938	2.0
147.07870	1.6
147.11533	0.9
149.02260	0.6
149.13176	0.8
155.01013	10.8
155.08487	1.0
157.10149	2.9
159.07948	1.2
159.11517	1.2
165.06839	0.8
169.09929	1.1
171.07945	1.4
171.11493	1.9
173.09444	1.0
175.11014	2.4
177.12616	1.4
179.08437	1.3
180.09258	0.8
181.09935	1.8
183.11552	1.1
185.09410	2.5
191.08353	0.8
193.02440	2.8
193.09964	2.4
194.10777	0.9
195.11490	2.0
197.09508	1.2
197.13182	0.9
199.11009	1.4
205.09985	1.5
206.10585	0.7
207.11639	3.3
209.09575	1.3
209.13097	1.6
211.03473	1.7
211.11057	0.9
211.14651	0.7
212.15312	0.7
213.16313	1.0
217.09987	1.6
219.11565	1.2
219.21170	0.7
221.09425	1.8
221.13103	1.9
223.11024	1.6
223.14615	1.7
226.13373	1.1
227.14105	2.0
231.11578	1.4
233.13039	2.5
235.10962	1.8
235.14685	2.1
237.12566	1.1
237.21976	2.6
241.15858	7.1
243.11699	1.5
244.12305	0.9
245.13139	1.0
247.10992	2.1
247.14691	2.0
249.12628	2.3
249.16257	1.4
257.13196	0.8
258.13983	0.9
259.11111	1.5
259.14636	1.3
260.11954	0.9
260.15411	0.7
261.12595	2.8
261.16425	3.7
262.13284	0.7
263.14258	0.8
263.17783	5.3
265.19330	0.9
271.05896	1.1
271.14713	0.9
273.12646	1.9
273.16251	1.7
275.14114	1.7
275.17542	0.9
276.15085	0.7
277.15814	1.5
279.17331	1.3
285.16217	1.3
287.14182	1.0
287.17816	1.1
289.15765	1.8
289.19443	1.6
291.17407	6.2
293.18936	5.8
299.14124	0.7
299.17715	0.7
301.15799	1.8
301.19391	2.5
303.17221	0.7
304.18246	1.1
305.18967	3.5
310.16925	0.6
311.18063	1.2
311.25775	9.9
313.15829	1.4
313.19278	0.9
315.17297	1.6
315.20715	1.1
316.17706	0.7
317.18945	4.5
318.19681	1.4
319.20532	3.6
323.17776	0.7
325.19266	1.0
329.18988	9.6
330.19714	1.2
331.20499	3.1
341.18869	0.8
341.22708	1.1
343.20496	4.9
351.21216	0.8
356.21002	1.0
356.25000	1.5
357.21988	1.4
357.25925	0.8
361.46170	0.6
366.23175	1.2
367.24252	1.5
369.21893	3.0
370.22855	0.6
371.03403	0.7
371.23889	0.7
371.27411	6.1
381.25720	6.3
382.26190	1.5
384.24371	4.2
395.60626	0.6
398.26016	0.8
399.26794	100.0
400.27142	6.6
408.98740	0.7
411.26871	1.7
417.27859	86.4
418.28226	5.1
423.91272	0.8
429.27798	3.2
447.24097	15.1
447.29718	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3824
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
54.51284	2.7
55.05235	3.1
55.05496	44.4
56.08923	1.9
57.07064	79.2
67.05478	7.9
69.07054	100.0
71.08616	68.0
81.07023	12.5
83.04958	2.4
83.08604	78.2
85.10169	38.3
91.88413	2.3
93.07015	8.2
95.08578	11.4
96.36332	2.2
97.10151	77.1
99.11710	5.0
105.07005	2.3
106.03836	2.5
107.08551	7.6
109.10126	7.3
111.11696	52.1
113.13259	2.6
119.08575	2.4
121.06480	4.9
121.10090	2.8
122.77127	2.1
123.11662	2.3
125.09638	2.4
125.13251	22.0
128.81335	2.6
133.10098	3.2
135.08017	15.4
137.09572	8.4
139.07518	34.2
139.14825	4.1
141.09143	2.4
143.89861	2.1
149.02315	17.8
149.09586	7.4
151.07521	18.5
153.09087	17.3
163.07562	7.5
163.11079	5.6
164.08362	4.0
165.09097	80.8
167.06984	4.1
169.08620	10.2
177.09065	12.9
179.10648	7.3
181.08559	48.3
190.09940	2.4
191.10674	7.8
192.36201	3.0
203.10722	2.9
205.12274	10.6
401.37857	2.8
429.37170	24.2
430.37845	10.0
447.38251	99.5
448.38669	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	447.3827
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
50.01140	3.5
50.46923	3.7
53.70596	4.6
55.01874	4.7
55.05500	34.7
55.08975	3.8
57.07067	47.0
65.07641	3.5
67.05484	17.7
69.07050	58.2
71.08617	39.3
71.10159	3.4
71.72330	5.8
79.05471	13.9
79.72218	3.6
81.07046	32.1
83.01285	4.2
83.08607	44.4
85.10158	25.9
91.05458	10.0
93.07034	22.6
95.04961	4.6
95.08590	18.4
97.10180	26.2
105.07000	15.1
107.08571	21.8
109.06498	13.9
109.10117	26.2
111.04421	6.7
111.08061	11.8
111.11701	17.5
112.99986	8.5
117.06986	4.1
119.08546	14.0
121.06471	20.3
121.10135	14.5
123.08044	14.0
125.05995	7.3
125.13223	6.2
131.08499	5.1
133.06485	5.8
133.10080	12.2
135.08023	29.2
135.11693	7.4
137.05943	98.5
137.09579	18.0
139.03883	4.4
139.07520	100.0
145.10094	9.7
147.11624	5.8
149.09541	7.8
151.07530	57.4
153.09163	6.6
159.11632	10.1
161.09607	7.1
163.07513	11.7
163.11124	10.4
165.09082	79.6
169.02614	5.2
169.08562	6.4
173.13219	10.2
175.11125	6.4
177.09093	11.4
177.12732	6.7
187.11139	12.2
189.12662	4.6
191.10535	22.8
201.12750	5.3
205.12299	19.5
219.13770	8.5
279.90607	3.7
383.36694	10.9
385.34451	5.6
401.37634	18.7
405.37051	13.3
419.38849	20.3
429.37091	17.5
447.21408	16.2
447.38394	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	448.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04992	1.5
58.97961	0.4
60.05621	0.7
60.32867	0.5
63.59377	0.5
66.03825	0.4
70.06017	1.5
70.06436	1.0
79.05451	0.9
80.06213	0.4
83.06056	2.1
83.88076	0.4
85.02891	0.7
91.05436	0.9
95.06097	0.6
97.07637	0.6
98.07124	0.9
98.97605	0.6
101.56951	0.5
104.34989	0.6
105.03365	2.4
105.05813	0.6
106.06537	4.7
111.05546	6.6
113.07082	0.8
118.06488	1.3
120.04453	13.2
120.71642	0.5
122.32957	0.5
123.05505	0.8
126.05710	0.8
126.06619	10.7
127.07363	0.9
132.04428	21.8
132.05438	1.3
132.08014	0.9
133.05106	0.6
134.05989	8.4
137.04668	2.1
140.08147	1.0
145.03912	0.8
146.02315	1.5
146.03539	0.4
147.05438	0.5
148.07471	0.5
149.07047	0.5
151.06133	8.4
157.07581	0.5
161.07141	0.8
168.08717	2.7
170.05573	0.8
202.09740	15.0
203.10170	0.6
215.08107	0.6
216.11331	4.2
230.09225	10.3
231.12399	1.2
232.10828	4.7
242.09311	3.9
255.08725	0.9
257.10291	5.6
259.11859	80.0
260.12216	2.6
272.06015	0.6
274.12753	0.6
277.13025	2.5
278.13007	0.6
284.11459	5.3
301.14029	8.6
302.12418	32.6
303.12723	1.4
312.98267	0.5
319.15002	3.1
362.18243	1.1
406.17133	13.2
407.17496	0.6
413.15405	0.6
430.18381	1.6
431.16803	1.1
448.19333	100.0
449.19675	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	448.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.8
57.03415	9.8
57.75214	3.1
61.02925	4.2
67.05495	6.6
69.03398	12.3
70.06580	7.8
71.04977	60.0
71.69672	3.7
71.70078	3.9
73.02891	5.4
75.04464	6.9
79.05494	5.6
79.10609	3.1
81.03394	4.6
81.07053	7.7
83.04961	12.2
85.02383	5.8
85.02892	100.0
87.04469	5.3
91.05444	9.1
93.07005	8.1
95.08585	6.4
97.02863	11.0
97.06522	4.5
99.04430	5.8
102.05479	4.1
105.07021	13.5
107.08585	9.2
107.26609	3.6
109.02859	6.9
111.04436	7.1
113.06054	3.7
119.04921	5.0
121.06489	4.8
121.10123	9.8
123.04404	5.5
124.07571	10.3
127.03881	7.7
129.05450	45.5
131.08537	4.7
135.08061	4.4
135.11653	4.2
136.07542	45.6
137.05917	4.4
137.09599	5.0
141.73581	4.0
145.04959	8.7
145.10112	4.5
147.04398	15.4
147.06535	22.5
147.07628	2.8
148.51035	4.5
152.07057	8.0
157.40776	3.9
164.07028	47.2
175.11174	9.4
187.11037	5.0
233.15225	7.3
243.15930	6.2
251.16304	4.8
271.06207	4.1
287.05426	13.0
287.13745	6.6
416.11475	4.0
448.19550	4.2
448.25513	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1074
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
55.05503	0.1
59.57100	0.1
59.99792	0.1
67.01850	0.6
67.05483	0.2
68.99781	0.4
69.03400	0.1
69.07049	0.1
71.04971	0.2
71.70276	0.1
79.05466	0.2
81.03393	0.1
81.07042	0.5
83.04954	0.1
83.08646	0.1
84.08109	0.1
85.02875	0.2
86.09685	0.1
89.03899	0.2
91.05457	0.2
93.07046	0.4
95.04954	0.2
95.08579	0.3
97.02870	0.1
97.06527	0.4
97.10154	0.1
99.28764	0.1
100.94709	0.1
105.06991	0.4
107.04917	0.2
107.08569	0.4
109.02870	0.1
109.10133	0.3
117.03350	0.2
117.06985	0.2
119.04913	0.1
119.08558	0.7
121.02814	0.1
121.06487	0.1
121.10120	0.2
123.08045	0.1
123.11641	0.1
124.07602	0.1
125.00014	0.1
127.03880	0.1
129.01799	0.1
129.06950	0.1
131.08537	0.3
133.10114	0.3
135.04396	2.2
135.08034	0.1
135.11655	0.1
136.07552	0.6
136.14545	0.1
137.02307	0.6
137.05963	0.1
139.05414	0.1
143.08545	0.2
145.10106	0.7
147.04353	0.1
147.11649	0.1
149.09602	0.1
152.07021	0.1
153.01797	5.6
153.09090	0.1
154.02202	0.1
155.08522	0.1
157.10107	0.3
158.11061	0.1
159.04497	0.1
159.11649	0.5
161.02304	0.6
161.13184	0.1
164.07063	0.7
171.02878	0.6
171.11679	0.2
173.13266	0.3
175.11098	0.1
175.14769	0.1
179.03368	0.3
181.04898	0.1
183.11697	0.1
184.07323	0.3
185.05881	0.1
185.13254	0.1
187.14772	0.3
189.16409	0.1
199.14854	0.3
201.16373	0.3
203.03522	0.1
213.05414	0.2
217.15837	0.1
227.08127	0.1
231.06441	0.1
241.04837	0.6
245.04475	0.1
251.08090	0.1
263.05499	0.2
269.04440	0.5
269.09094	0.3
271.05984	0.1
273.06665	0.1
287.05444	100.0
288.05771	3.2
403.29477	0.1
431.14401	0.2
431.29749	0.1
449.10425	0.2
449.15375	0.1
449.20105	0.2
449.30371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1072
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03923	0.5
55.01850	0.7
55.05500	0.3
57.03416	0.7
61.02917	1.8
67.05483	0.4
68.99769	0.8
69.03416	3.5
70.06568	0.2
70.35786	0.8
71.04973	0.4
73.02891	0.4
79.05472	0.7
81.03399	2.0
81.07033	0.7
85.02888	8.4
86.09645	0.2
87.04465	0.4
91.03936	0.5
91.05466	0.4
93.07007	0.5
95.04958	0.3
95.08582	0.4
97.02874	2.6
97.06507	0.9
99.04430	0.7
104.10714	0.3
105.03367	0.3
105.07037	0.4
107.04936	0.7
107.08558	0.2
109.02859	1.4
109.06478	0.2
109.10159	0.4
111.00780	0.8
111.04417	0.2
119.08586	0.3
121.02838	2.9
122.05994	0.2
124.07594	0.3
124.37552	0.2
127.03877	1.9
129.05344	0.2
129.06976	0.4
131.08542	0.3
133.02835	0.4
135.04398	0.5
135.11716	0.2
136.07550	1.5
137.02371	0.9
137.09593	0.3
145.04953	1.3
145.06422	0.3
145.10135	0.3
145.53094	0.2
147.04420	0.9
147.11577	0.2
152.07048	0.5
153.00641	0.3
153.01807	4.6
157.06456	0.6
159.11642	0.4
161.02330	0.2
164.07051	1.6
165.01805	2.0
171.02859	0.2
171.04391	0.2
181.04895	0.2
183.02863	0.7
184.07346	0.3
185.05939	0.5
189.05502	0.2
203.07037	0.2
213.05449	1.5
229.04778	0.3
231.06502	0.6
241.04898	1.1
241.14348	0.4
242.14677	0.6
258.05225	1.3
259.05844	0.4
269.04355	0.2
287.05447	100.0
288.05771	3.0
299.05429	0.4
329.06573	0.3
353.06564	0.3
418.65179	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1071
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
55.74665	0.1
66.58616	0.1
67.01846	0.5
67.05486	0.2
67.28941	0.1
68.99791	0.3
69.03403	0.3
70.90211	0.1
71.70294	0.2
79.05450	0.2
81.03394	0.2
81.07031	0.2
83.04930	0.1
85.02877	0.3
86.09688	0.1
89.03879	0.2
91.05452	0.2
93.07019	0.1
95.08530	0.1
97.02869	0.1
105.06989	0.2
107.04918	0.2
107.08587	0.1
109.02863	0.1
109.10138	0.1
111.00816	0.1
117.03344	0.3
119.08555	0.2
120.08031	0.1
121.10133	0.1
123.07979	0.1
127.03896	0.2
129.01785	0.1
131.08600	0.1
133.10083	0.1
135.04395	1.8
136.07530	0.5
137.02313	0.7
145.10109	0.1
147.11554	0.1
152.07053	0.2
153.01796	5.1
157.10045	0.1
159.11665	0.2
161.02298	0.5
164.07043	0.5
171.02884	0.6
179.03418	0.4
185.05815	0.1
203.03394	0.1
213.05396	0.2
218.05608	0.1
219.06378	0.1
227.03214	0.1
231.06436	0.2
241.04877	0.6
245.04428	0.1
263.05557	0.1
264.17853	0.1
269.04373	0.5
269.18933	0.1
273.06540	0.2
287.05444	100.0
288.05783	3.8
330.25568	0.1
449.10690	1.8
449.25143	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1074
Annotation	5,7,2',6'-Tetrahydroxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
57.03405	0.2
61.02892	0.2
67.01828	0.5
68.99773	0.3
69.03377	0.4
79.05450	0.5
79.88650	0.1
81.03368	0.5
81.07018	0.2
84.25583	0.1
85.02872	0.7
89.03888	0.2
91.05439	0.2
92.53766	0.1
93.07034	1.2
95.08560	0.2
97.02860	0.4
105.07013	0.8
107.08530	0.2
108.92026	0.1
109.02846	0.2
111.04402	0.1
119.08535	0.6
121.10122	2.7
127.03844	0.2
129.01854	0.2
131.08524	0.3
133.10149	0.2
135.04388	1.8
137.02295	0.7
145.10083	0.2
149.09590	2.3
153.01805	5.0
161.02306	0.6
167.10654	0.3
171.02846	0.6
174.76956	0.1
179.03375	0.3
213.05431	0.3
239.14099	0.1
241.04875	0.5
259.05997	0.2
263.05511	0.2
269.04483	0.5
269.18842	0.1
274.39880	0.1
287.05457	100.0
288.05801	3.4
288.56897	0.2
293.13800	0.2
303.04733	0.2
395.74017	0.2
449.10748	19.2
450.10941	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.1
57.03412	0.1
59.98787	0.1
61.02891	0.1
63.39080	0.1
63.57938	0.1
63.97198	0.0
66.11253	0.1
67.01862	0.5
67.05489	0.1
68.99760	0.4
69.03387	0.2
69.07033	0.1
71.70290	0.1
72.12048	0.1
79.05461	0.2
81.03394	0.1
81.07009	0.2
83.04955	0.1
85.02877	0.3
86.09687	0.1
89.03892	0.2
91.05456	0.1
93.07005	0.2
95.04944	0.1
95.08567	0.2
97.02866	0.2
97.06480	0.1
100.40492	0.1
105.07011	0.2
107.04932	0.1
107.08549	0.2
109.02849	0.1
109.06491	0.1
109.10118	0.1
117.03342	0.2
119.08524	0.2
120.08060	0.1
121.10085	0.1
127.03893	0.1
129.01807	0.2
131.08522	0.1
133.10074	0.1
134.96745	0.1
135.04387	1.7
136.07570	0.5
137.02319	0.5
137.05908	0.1
145.02823	0.1
145.10007	0.1
147.04353	0.2
147.11649	0.1
149.09558	0.1
151.03848	0.1
151.07468	0.1
152.07008	0.1
153.01794	5.0
154.02153	0.1
157.06488	0.1
157.10133	0.1
159.11584	0.1
161.02338	0.5
163.11137	0.1
164.07014	0.5
169.10139	0.1
171.02840	0.5
172.76253	0.1
173.13222	0.1
175.07608	0.1
177.05458	0.1
179.03363	0.3
183.96384	0.1
185.05989	0.1
189.05386	0.1
203.03403	0.1
213.05402	0.1
231.06526	0.1
241.04884	0.6
245.04321	0.1
255.89612	0.1
259.05984	0.1
263.05417	0.2
269.04358	0.5
270.05118	0.1
272.06448	0.1
273.06613	0.2
281.13214	0.1
286.04556	0.1
287.05429	100.0
288.05765	3.4
365.82886	0.1
433.52979	0.1
449.10675	2.3
449.24973	0.2
450.11093	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01869	2.5
55.05508	7.5
57.03420	2.2
57.07048	1.4
61.81372	0.9
65.03923	1.6
67.05497	8.7
69.03426	10.6
69.07058	5.0
70.00631	6.0
70.06585	1.0
71.04994	2.5
73.02891	1.7
79.05482	19.0
81.03412	10.8
81.07051	17.1
83.04982	6.8
83.05455	1.2
83.08631	2.7
85.02888	11.5
85.06557	1.5
91.05464	22.4
93.07032	57.6
95.04963	8.1
95.08601	20.1
97.02882	7.7
97.06537	2.7
97.10188	1.1
98.20745	1.1
99.04424	1.8
99.08074	1.3
103.05453	2.8
105.04571	1.2
105.07015	40.7
107.04939	3.1
107.07384	0.9
107.07906	1.9
107.08584	24.2
109.02879	6.1
109.06510	5.0
109.10147	11.0
111.04441	3.8
111.08083	3.3
116.06231	1.2
117.07019	4.7
119.04974	1.2
119.08569	44.8
120.08111	1.4
121.06521	4.3
121.10130	100.0
122.05988	1.9
122.10491	2.0
122.67605	0.9
123.04411	3.2
123.08047	7.3
123.11698	5.9
124.07575	1.7
124.30398	1.1
125.05941	1.5
125.09619	2.2
127.03908	5.2
128.06216	2.4
129.07007	4.1
130.07828	1.5
131.08556	21.4
133.06534	1.6
133.07619	1.6
133.10103	13.6
135.04466	2.4
135.08058	2.2
135.11696	4.6
136.07552	6.8
136.08450	1.0
137.02344	6.9
137.05939	2.7
137.09651	1.9
139.03915	2.4
139.11142	1.5
141.07028	2.0
142.07793	4.8
143.08528	11.6
144.09346	1.7
145.04984	1.8
145.06375	1.3
145.10107	34.3
147.04373	2.2
147.08054	1.5
147.11667	11.6
149.09604	81.3
149.13289	3.6
150.09988	1.3
151.03825	1.0
151.07533	1.1
151.11182	2.7
152.07091	1.7
153.01833	2.6
155.08562	4.4
156.09303	6.0
157.06374	1.0
157.08818	2.2
157.10098	20.0
158.10878	1.8
159.11664	19.2
161.09615	3.1
161.13214	6.0
163.03935	1.4
163.07558	2.1
163.11183	1.3
163.14766	2.0
164.07095	6.7
165.05598	1.0
165.06989	1.3
165.12787	1.9
167.08601	2.0
167.10663	11.6
168.09221	1.1
169.10130	7.1
170.10959	6.0
171.11653	11.1
173.09654	2.1
173.13242	13.9
175.11191	2.2
175.14822	7.7
177.05428	2.4
177.12878	1.1
177.16431	1.2
179.08559	1.4
181.04985	2.3
181.10139	2.8
182.10884	2.1
183.11642	9.3
184.12515	1.4
185.13239	19.0
187.07573	1.2
187.14796	24.2
187.16336	1.7
189.09169	1.3
189.16412	3.1
193.10114	1.3
195.11728	2.7
197.13292	6.5
199.14813	17.9
201.09309	1.1
201.12741	1.1
201.16371	11.0
203.14285	3.8
205.15919	5.3
209.13258	4.4
211.14830	5.7
213.12775	1.3
213.16376	5.5
215.17938	2.5
217.12314	1.3
217.15991	2.9
219.13838	1.2
223.14832	2.8
225.16370	2.5
229.14220	1.4
231.17398	2.4
233.18878	1.1
237.16316	1.9
239.18025	1.6
241.19565	1.4
243.17383	1.6
245.15378	2.2
249.16339	1.9
250.17252	1.1
251.17970	2.5
253.14279	2.1
253.19475	1.2
257.15405	2.5
259.14224	0.9
265.19513	1.9
269.12823	3.6
269.18942	1.3
272.06192	1.6
273.06415	2.0
277.19452	1.4
279.21204	1.5
285.18198	1.5
287.05481	57.2
287.13879	6.4
288.05859	4.1
288.08762	1.9
293.13690	8.0
297.18661	1.1
311.14813	3.7
385.28952	1.3
387.30304	1.4
403.30103	10.6
405.31439	5.0
431.29544	3.6
449.10611	7.5
449.16061	1.1
449.19882	1.7
449.30554	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	449.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01869	2.5
55.05508	7.5
57.03420	2.2
57.07048	1.4
61.81372	0.9
65.03923	1.6
67.05497	8.7
69.03426	10.6
69.07058	5.0
70.00631	6.0
70.06585	1.0
71.04994	2.5
73.02891	1.7
79.05482	19.0
81.03412	10.8
81.07051	17.1
83.04982	6.8
83.05455	1.2
83.08631	2.7
85.02888	11.5
85.06557	1.5
91.05464	22.4
93.07032	57.6
95.04963	8.1
95.08601	20.1
97.02882	7.7
97.06537	2.7
97.10188	1.1
98.20745	1.1
99.04424	1.8
99.08074	1.3
103.05453	2.8
105.04571	1.2
105.07015	40.7
107.04939	3.1
107.07384	0.9
107.07906	1.9
107.08584	24.2
109.02879	6.1
109.06510	5.0
109.10147	11.0
111.04441	3.8
111.08083	3.3
116.06231	1.2
117.07019	4.7
119.04974	1.2
119.08569	44.8
120.08111	1.4
121.06521	4.3
121.10130	100.0
122.05988	1.9
122.10491	2.0
122.67605	0.9
123.04411	3.2
123.08047	7.3
123.11698	5.9
124.07575	1.7
124.30398	1.1
125.05941	1.5
125.09619	2.2
127.03908	5.2
128.06216	2.4
129.07007	4.1
130.07828	1.5
131.08556	21.4
133.06534	1.6
133.07619	1.6
133.10103	13.6
135.04466	2.4
135.08058	2.2
135.11696	4.6
136.07552	6.8
136.08450	1.0
137.02344	6.9
137.05939	2.7
137.09651	1.9
139.03915	2.4
139.11142	1.5
141.07028	2.0
142.07793	4.8
143.08528	11.6
144.09346	1.7
145.04984	1.8
145.06375	1.3
145.10107	34.3
147.04373	2.2
147.08054	1.5
147.11667	11.6
149.09604	81.3
149.13289	3.6
150.09988	1.3
151.03825	1.0
151.07533	1.1
151.11182	2.7
152.07091	1.7
153.01833	2.6
155.08562	4.4
156.09303	6.0
157.06374	1.0
157.08818	2.2
157.10098	20.0
158.10878	1.8
159.11664	19.2
161.09615	3.1
161.13214	6.0
163.03935	1.4
163.07558	2.1
163.11183	1.3
163.14766	2.0
164.07095	6.7
165.05598	1.0
165.06989	1.3
165.12787	1.9
167.08601	2.0
167.10663	11.6
168.09221	1.1
169.10130	7.1
170.10959	6.0
171.11653	11.1
173.09654	2.1
173.13242	13.9
175.11191	2.2
175.14822	7.7
177.05428	2.4
177.12878	1.1
177.16431	1.2
179.08559	1.4
181.04985	2.3
181.10139	2.8
182.10884	2.1
183.11642	9.3
184.12515	1.4
185.13239	19.0
187.07573	1.2
187.14796	24.2
187.16336	1.7
189.09169	1.3
189.16412	3.1
193.10114	1.3
195.11728	2.7
197.13292	6.5
199.14813	17.9
201.09309	1.1
201.12741	1.1
201.16371	11.0
203.14285	3.8
205.15919	5.3
209.13258	4.4
211.14830	5.7
213.12775	1.3
213.16376	5.5
215.17938	2.5
217.12314	1.3
217.15991	2.9
219.13838	1.2
223.14832	2.8
225.16370	2.5
229.14220	1.4
231.17398	2.4
233.18878	1.1
237.16316	1.9
239.18025	1.6
241.19565	1.4
243.17383	1.6
245.15378	2.2
249.16339	1.9
250.17252	1.1
251.17970	2.5
253.14279	2.1
253.19475	1.2
257.15405	2.5
259.14224	0.9
265.19513	1.9
269.12823	3.6
269.18942	1.3
272.06192	1.6
273.06415	2.0
277.19452	1.4
279.21204	1.5
285.18198	1.5
287.05481	57.2
287.13879	6.4
288.05859	4.1
288.08762	1.9
293.13690	8.0
297.18661	1.1
311.14813	3.7
385.28952	1.3
387.30304	1.4
403.30103	10.6
405.31439	5.0
431.29544	3.6
449.10611	7.5
449.16061	1.1
449.19882	1.7
449.30554	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	449.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38029	0.9
53.03942	2.5
55.01848	1.3
55.05504	9.5
57.03423	3.0
64.02026	1.1
65.03948	1.5
66.92440	1.1
67.05491	31.1
67.05843	1.7
69.07048	9.6
71.04978	2.0
79.05476	24.0
81.03415	1.7
81.07043	29.3
83.04982	3.0
83.08613	3.3
91.05474	15.3
93.07030	25.8
93.07582	1.9
95.04964	3.1
95.08591	34.9
95.09193	1.7
97.06522	6.4
97.10167	2.6
99.08075	1.5
105.07013	12.0
107.04925	1.5
107.08582	28.5
109.06539	3.1
109.10152	12.3
111.08089	2.2
117.07040	4.7
118.76276	1.3
119.08574	10.1
121.06492	2.9
121.10117	7.6
123.11713	2.1
128.06180	1.4
129.06979	1.3
131.08498	5.3
133.06503	3.0
133.10091	7.1
135.08035	12.1
135.11674	14.2
137.09631	4.3
142.07796	2.1
143.08556	2.7
144.09294	1.8
145.06436	1.9
145.10158	4.0
147.04419	3.4
147.08099	2.7
147.11681	3.0
149.09659	3.3
149.13223	5.7
155.08493	1.8
157.06474	1.4
157.10153	1.7
159.08084	2.9
159.11668	5.8
160.08858	1.2
161.09654	2.0
163.11234	1.9
166.00940	1.0
167.93202	1.3
169.10085	2.6
171.08023	2.3
171.11707	1.8
173.09612	2.8
175.11130	6.5
177.12805	3.1
183.08061	2.4
183.11612	1.7
185.13179	1.3
187.11168	3.3
193.10143	2.2
195.08044	2.2
195.11679	2.2
195.13840	3.1
197.09622	2.9
197.13338	1.3
199.07487	1.7
205.10161	1.7
207.11649	2.2
209.09552	2.8
209.13339	2.1
211.11205	1.5
213.09094	1.3
215.10503	1.2
217.15834	1.4
219.11884	1.6
221.09642	1.6
221.13248	1.1
222.10452	1.4
223.14832	1.2
225.09064	2.8
225.12662	2.4
230.06180	1.2
233.09616	1.5
233.13220	1.7
234.10329	1.4
235.11191	3.5
237.09088	1.7
237.12819	3.7
239.10762	1.7
243.11658	1.4
245.13107	2.3
247.11197	2.8
247.14847	2.5
249.09219	1.6
249.12837	2.3
251.10631	2.8
251.14314	1.5
253.15739	1.7
258.14087	1.1
259.11182	1.4
259.14581	1.4
260.15457	1.3
261.12805	2.9
261.16315	2.5
263.10593	1.5
263.14304	2.5
265.12314	1.8
265.15927	2.9
267.17511	4.5
273.12946	1.2
273.16327	1.2
274.13818	1.2
275.10818	1.2
275.14331	3.0
277.12500	2.1
277.15924	5.3
279.17386	1.5
285.16083	1.3
287.05533	2.6
287.14444	2.2
289.15854	7.5
291.17529	4.3
293.15329	4.4
295.16919	11.9
301.15823	1.9
303.14215	2.0
303.17426	8.3
305.15463	2.6
305.18832	1.8
307.17026	5.2
313.15741	1.6
315.13913	1.4
315.17377	2.6
315.20834	1.4
317.18835	2.0
319.16928	5.6
320.17636	2.0
321.18378	5.3
327.17334	2.2
329.18991	2.2
331.16946	6.2
331.24292	1.7
333.18307	6.9
341.22806	1.3
343.20569	2.8
344.21115	1.2
345.18433	5.4
357.22070	5.0
359.19827	2.2
359.23633	10.8
373.25317	7.0
383.23669	14.8
385.21573	1.7
386.22305	3.3
400.23941	5.3
401.24683	100.0
402.25058	2.3
413.24893	1.9
419.25729	72.0
420.26038	3.2
431.25635	19.4
449.28558	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	449.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01862	7.2
55.05502	16.9
57.03424	8.6
61.02945	5.1
62.87053	3.5
67.05494	43.6
69.03418	15.8
69.07051	16.4
69.70863	25.1
70.06596	20.5
71.04979	25.3
72.08163	6.8
79.05483	45.3
81.03387	9.2
81.07040	62.5
83.04964	9.6
83.08615	9.8
84.04514	6.8
84.08161	4.5
85.02890	24.3
85.06527	22.5
86.09699	10.3
89.37591	4.4
91.05471	36.5
93.07034	41.4
95.04962	11.9
95.08591	51.1
97.02893	7.6
97.06503	24.5
99.04439	4.9
99.08073	26.8
101.06010	13.6
102.05589	4.5
105.06998	19.9
107.08546	19.0
109.02864	15.8
109.06457	4.9
109.10126	11.2
111.04403	3.6
111.08079	12.0
112.03942	8.3
113.09631	11.4
115.07548	7.6
117.06980	8.3
119.08568	20.6
120.08092	8.0
121.02855	9.9
121.06503	5.6
121.10123	32.6
123.08076	4.6
123.11642	5.0
124.07518	7.4
125.09616	8.0
127.03879	7.2
130.04962	4.5
130.06522	6.3
131.08565	13.9
133.10101	30.2
135.04385	7.0
135.11678	22.4
136.07556	14.5
137.05984	6.6
137.09633	6.3
138.05533	4.3
140.69728	4.2
145.10106	13.3
147.04381	6.8
147.11652	8.6
149.13315	4.3
150.05502	6.1
153.01828	10.8
159.11661	13.0
161.13229	3.7
163.03928	4.4
163.11197	4.0
164.07086	13.2
171.73393	4.0
173.13243	7.8
178.08714	4.4
182.10092	4.0
206.20552	4.8
215.17888	19.1
221.18903	4.0
233.18987	11.3
242.14583	7.1
246.55539	3.8
251.20058	10.2
263.39676	3.9
269.21164	33.6
271.10287	4.1
272.39172	3.3
278.52048	3.6
287.05460	100.0
287.13965	6.0
287.22168	10.8
288.05887	8.2
299.05389	26.0
325.07086	6.3
329.06503	19.8
338.15314	3.9
353.06595	12.0
365.06665	4.7
377.06409	4.6
383.07553	7.9
394.90439	4.3
395.07864	6.1
413.08575	4.4
449.10510	10.1
449.19730	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	449.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	11.3
55.05490	22.3
57.03420	12.3
67.05492	71.7
69.03391	19.4
69.07047	30.2
69.98811	6.2
70.06570	11.7
70.57130	6.6
71.04979	37.5
79.05483	61.6
81.03402	21.6
81.07043	100.0
83.04947	16.1
83.08609	7.6
85.02881	25.7
85.03394	5.6
85.06543	45.8
86.09702	9.2
91.05454	49.0
93.07030	67.8
95.04958	13.6
95.08583	78.2
97.02885	11.7
97.06519	32.9
99.08076	21.7
99.96119	6.5
101.06008	27.6
105.07010	27.5
107.08578	33.1
108.04457	6.6
109.10128	26.4
111.08064	16.9
112.04035	9.6
113.09604	17.8
115.07563	16.7
117.06957	6.8
119.08552	34.0
121.02834	13.1
121.06487	8.8
121.10107	51.6
127.03874	18.7
131.08517	24.1
133.10112	40.6
135.11655	30.6
137.09607	13.2
145.10094	23.7
147.04430	13.7
147.11653	20.0
156.26747	7.0
159.11678	14.5
164.07065	9.7
173.13266	10.3
177.16348	8.7
178.08601	8.0
215.17920	36.3
233.18993	22.7
251.20020	14.0
269.12891	7.2
269.21109	45.3
287.05383	37.2
287.13834	16.3
287.22107	23.0
299.05450	20.6
325.07034	7.3
329.06332	15.9
395.07901	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	449.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.05500	16.2
57.07032	2.9
60.06728	1.9
65.03925	4.1
66.12801	1.7
67.05492	20.1
69.03412	4.2
69.07050	12.2
69.67271	14.8
77.03877	2.1
79.05482	20.4
80.07418	1.6
81.06603	3.0
81.07047	43.8
83.04974	38.2
83.08609	7.9
84.48868	1.7
91.05465	31.6
93.07036	45.8
95.04953	14.8
95.08595	66.1
96.14017	1.6
97.06506	4.3
97.10178	2.5
98.20650	3.2
103.05425	3.2
105.07018	70.8
107.08580	62.8
109.06496	7.1
109.10137	25.9
111.08076	5.2
115.05437	3.0
116.06216	2.5
117.06990	12.3
119.08566	97.1
121.10121	32.9
123.04350	1.9
123.08028	9.7
123.11683	11.4
125.09607	7.4
128.06226	3.8
129.06987	13.8
130.07784	4.6
131.08543	51.7
133.06516	2.3
133.10107	41.6
135.08029	3.4
135.11667	18.2
136.11940	1.7
137.05832	1.6
137.09593	3.5
137.13182	1.7
141.06981	4.3
142.07750	9.2
143.08542	33.4
144.09326	8.4
145.10112	100.0
146.10524	3.0
147.08025	3.9
147.10574	2.6
147.11678	38.1
149.09596	3.3
149.13213	10.9
151.11206	4.2
155.08502	9.6
156.09355	11.6
157.10104	46.4
158.10855	5.3
159.08049	4.1
159.11678	60.3
161.09593	7.3
161.13254	27.2
163.07521	8.8
163.11195	4.0
163.14813	6.6
165.12720	2.1
167.08517	4.8
168.09332	4.9
169.10094	16.7
170.10866	8.4
171.08054	2.0
171.11679	39.8
173.09694	3.6
173.13237	47.1
175.11182	6.8
175.14819	30.1
177.12727	3.0
177.16379	7.5
179.08522	3.1
181.10126	7.9
182.10878	3.4
183.11646	19.8
184.12416	4.6
185.09692	2.8
185.13216	40.1
185.14777	3.1
187.11185	3.7
187.14803	40.3
187.16362	1.4
189.09113	3.4
189.12735	3.5
189.16339	11.5
191.14330	3.1
191.17903	2.6
193.10173	2.9
193.21188	1.7
195.11655	10.5
196.12421	2.4
197.13261	19.7
199.14792	55.9
201.12735	7.1
201.16356	65.2
203.14290	39.0
203.17995	5.2
205.12314	2.3
205.15877	14.2
207.11670	3.2
209.13159	9.9
211.14778	15.0
213.12665	2.2
213.16281	13.6
215.10703	2.6
215.14249	8.4
215.17899	5.2
217.12337	2.4
217.15831	13.5
219.11543	1.9
219.13641	2.5
221.13260	5.1
223.14804	9.1
225.16449	8.7
227.14293	2.9
227.18018	5.4
229.15862	4.4
229.19572	2.5
231.13745	5.5
231.17461	4.7
233.13148	2.0
233.15390	2.3
235.14784	3.0
237.16339	7.7
239.17915	8.2
241.15787	2.8
241.19502	7.9
243.13763	6.0
243.17554	3.7
245.15337	13.2
247.14719	2.7
249.16333	4.1
251.17950	9.0
253.12096	2.0
253.19540	6.3
257.15320	9.0
257.18973	2.6
258.15982	1.8
259.17120	2.9
261.16458	2.6
263.17896	3.1
265.19583	4.5
267.21042	2.7
269.12839	5.1
269.18945	3.5
271.16962	3.0
277.19479	5.1
279.21182	4.5
285.18497	2.2
287.13846	5.5
289.19434	2.0
290.41116	1.8
291.21216	2.6
297.18497	6.4
297.22028	3.2
299.20074	2.6
309.22263	1.9
311.19925	2.1
319.24313	2.4
325.21622	2.9
329.23019	2.0
345.25876	7.7
347.23486	1.8
367.26196	2.8
385.28949	7.3
387.30655	3.1
391.26361	16.1
403.29904	45.3
404.30365	3.6
405.31485	18.7
421.30911	9.0
431.29306	15.0
449.30466	97.0
450.30765	6.1
472.80170	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33762	1.9
53.03930	4.2
54.34871	1.7
55.01859	2.9
55.05495	16.2
57.07063	4.5
59.04999	2.0
65.03913	2.1
67.05492	25.4
69.03413	4.2
69.07059	21.3
69.67384	3.0
69.67783	11.9
71.05000	2.1
79.05484	26.3
81.03334	1.9
81.07049	48.4
83.04974	30.0
83.08602	7.7
85.06537	2.9
88.37503	1.9
91.05470	30.6
93.07032	45.6
95.04951	9.2
95.08592	55.2
97.06541	4.5
97.10158	2.9
99.08089	2.2
105.07013	61.2
107.04939	2.8
107.08577	84.6
108.08913	1.8
109.06518	9.8
109.10140	27.4
111.08056	5.6
117.06961	9.4
119.08567	56.0
121.06474	4.3
121.10124	27.2
123.08075	7.4
123.11675	14.8
125.09622	6.6
128.06274	3.7
129.06992	11.3
130.07813	4.2
131.08542	35.1
131.09464	3.3
133.10112	43.0
135.08015	4.6
135.11661	15.0
137.05956	1.9
137.09608	5.0
137.13232	4.4
141.06989	4.5
142.07744	5.0
143.08560	26.2
144.09312	3.2
145.06470	2.4
145.10112	57.9
145.11224	3.7
146.07082	1.8
147.08037	3.6
147.11673	37.3
149.09601	2.8
149.13268	9.5
151.11142	4.1
155.08534	12.5
156.09297	5.4
157.10097	31.8
158.10875	3.2
159.08058	4.5
159.11661	33.2
161.09645	5.2
161.13248	21.1
163.07559	2.1
163.11201	6.2
163.14827	7.5
165.12753	4.8
167.08537	3.8
168.09367	4.9
169.10080	19.3
170.10831	5.6
171.11670	22.9
173.09570	2.4
173.13240	27.1
175.11206	3.4
175.14825	21.7
177.12794	3.2
177.16397	5.2
181.10126	5.2
182.10815	4.6
183.11694	20.5
184.12418	3.1
185.13228	22.7
186.13928	2.6
187.14784	15.9
189.12802	2.9
189.16431	5.2
191.14278	9.1
191.17831	2.0
193.10165	4.6
193.15903	3.4
195.11687	11.5
196.12422	5.0
197.13248	16.6
198.14023	1.8
199.14828	28.8
199.16516	3.1
201.12793	8.1
201.16345	23.6
203.14310	9.0
205.15865	4.5
207.11688	6.0
207.13629	2.3
208.12505	2.5
209.13280	11.7
209.15077	2.1
211.14777	14.6
213.12770	2.5
213.16351	18.4
215.14339	3.9
215.17961	3.5
217.15932	3.7
219.17429	2.4
221.13281	5.1
223.14796	9.6
225.12932	2.2
225.16411	8.9
227.17978	7.8
229.15865	5.1
231.17429	2.3
233.13297	2.5
235.14937	2.7
237.16438	11.7
238.17097	2.6
239.17903	32.7
241.15883	3.4
241.19482	15.0
243.13837	3.3
245.13136	2.6
245.15424	6.1
247.14671	2.6
247.16920	3.4
249.16609	4.6
251.17960	20.3
253.19453	18.3
259.17001	16.8
263.17932	2.6
265.19525	6.3
267.21054	4.3
271.17007	4.1
277.19327	2.8
279.21088	4.9
283.16965	6.5
285.18460	10.2
287.05484	5.0
287.14063	2.9
289.19415	5.5
291.21036	5.9
293.22699	4.6
297.18561	11.1
299.20328	4.7
305.22644	3.2
309.18622	2.3
339.23041	3.3
345.25803	12.2
347.23697	2.4
347.27191	9.2
351.23456	3.6
353.24847	2.4
357.24350	3.9
363.23007	2.9
367.26419	3.1
375.30505	6.5
377.31924	2.4
385.28983	8.3
387.30661	3.9
391.26282	27.9
392.26294	2.2
403.29910	38.1
404.30310	3.1
405.31491	37.3
406.31558	2.8
413.30411	2.5
421.30768	11.2
431.29266	15.7
449.30478	100.0
450.30853	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	449.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.0
55.01859	4.9
55.05501	15.8
57.03424	4.0
57.07058	3.1
65.03922	2.5
67.05494	28.2
69.03428	13.3
69.07061	15.1
71.04979	5.4
71.69991	2.3
71.70443	2.3
79.05479	32.6
81.03398	12.4
81.07042	55.0
83.04966	24.4
83.08609	7.3
85.02888	15.2
85.06510	3.2
86.09676	1.8
91.05459	43.8
93.07027	68.3
94.07333	2.9
95.04942	12.5
95.08591	56.0
97.02872	6.5
97.06512	8.5
97.10166	3.6
99.04441	5.4
99.08083	3.2
101.30408	1.7
103.05475	4.2
105.04476	1.8
105.07014	80.6
107.04920	2.8
107.08572	60.4
109.02873	6.7
109.06514	13.1
109.10128	31.5
111.04414	2.6
111.08079	6.5
115.05444	4.1
116.06229	2.6
117.06998	13.9
119.04956	4.3
119.08560	92.0
120.08060	2.3
120.08906	2.8
121.02877	1.9
121.06521	6.8
121.10120	89.1
122.06008	2.2
122.10487	2.4
123.04413	3.3
123.08080	9.1
123.11670	16.9
124.07595	4.8
125.09642	6.4
127.03911	7.8
127.07536	2.1
128.06219	7.1
129.06992	13.5
130.07747	4.5
131.04967	2.3
131.08546	55.6
132.09348	1.9
133.06503	2.5
133.10114	44.8
135.04401	2.3
135.08052	7.5
135.11656	16.2
136.07570	19.2
137.02333	4.6
137.05981	6.3
137.09596	5.9
139.11185	2.1
141.06972	6.2
142.07721	15.3
143.08540	35.9
144.09312	5.1
145.10095	100.0
146.10567	2.5
147.04401	10.2
147.08032	4.1
147.11661	30.4
147.12737	3.1
149.05946	2.3
149.09589	49.6
149.13217	9.4
150.09923	3.9
151.11156	3.7
152.07054	4.2
153.01805	2.4
154.07735	3.2
155.08517	16.1
156.09320	14.0
157.10100	57.4
158.10867	5.1
159.08022	3.3
159.11652	50.9
161.09573	5.5
161.13254	15.4
163.07571	5.5
163.11229	4.9
163.14827	4.1
164.07050	25.5
165.12782	4.4
167.07079	2.9
167.08437	3.4
167.10617	8.6
168.09274	2.8
169.10083	20.4
170.10875	17.7
171.11649	32.4
172.12489	2.8
173.09622	2.4
173.13246	36.3
174.13554	1.7
175.11179	3.9
175.14803	18.0
177.05389	2.2
177.12740	4.9
177.16388	3.2
179.14343	2.0
181.04991	4.9
181.10059	9.9
182.10854	6.8
183.11652	28.4
184.12454	5.9
185.09682	3.2
185.13219	52.9
187.14786	69.0
188.15189	3.7
189.14804	1.8
189.16350	9.4
190.08699	1.8
191.14268	6.5
193.10065	3.7
193.15924	2.3
194.10854	1.9
195.11635	9.4
196.12366	2.6
197.13234	21.5
198.13782	2.0
199.14792	56.4
201.12732	3.6
201.16379	34.5
201.18141	2.8
203.10785	2.4
203.14330	7.5
203.17934	4.3
203.97052	1.8
205.15854	19.9
207.11749	6.0
208.12535	2.2
209.13190	10.5
211.14787	22.5
213.16293	16.9
215.14325	4.9
215.17995	7.5
217.12279	2.9
217.15787	9.5
218.08086	3.5
219.11649	3.4
219.13835	2.9
219.17508	2.8
221.13295	2.2
223.14781	6.3
225.16418	8.0
227.14362	4.7
227.17981	5.7
229.15988	4.3
231.13843	3.3
231.17401	4.4
233.19054	3.1
235.14786	3.8
236.15714	2.0
237.16415	6.8
239.17929	10.4
241.13365	2.3
241.15730	2.8
241.19617	4.7
243.13760	2.6
243.17538	2.2
245.15439	5.3
247.14803	3.2
249.16394	2.9
251.17915	8.8
251.20316	2.6
253.14296	6.3
253.19635	5.4
257.15466	5.9
259.14517	2.4
259.16974	2.3
263.17953	4.8
265.19510	5.6
267.21088	3.5
269.12827	6.1
272.06216	3.1
273.06729	2.1
275.17871	2.1
277.19464	2.7
279.21039	4.1
284.11130	4.2
285.18350	2.7
287.05460	62.8
287.13779	15.0
288.05728	5.1
288.08658	4.1
291.20837	2.1
297.18652	3.1
311.14865	2.6
311.20270	2.1
312.10849	2.7
323.19803	2.5
329.22577	2.1
345.25473	2.1
385.28848	5.2
387.30502	3.6
391.26465	4.8
403.29895	35.1
404.30313	3.5
405.31516	14.3
421.30923	5.1
431.18616	2.5
431.29504	12.3
449.11316	7.6
449.19952	13.1
449.30527	63.4
450.19620	2.6
450.30988	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	450.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
53.55311	0.9
55.01849	2.7
57.03421	4.2
60.04492	0.8
61.02916	5.0
65.03915	1.4
69.03420	12.6
70.06573	2.2
71.04985	3.3
71.14001	1.4
71.14342	1.5
72.08115	0.8
72.45814	0.9
73.02898	2.1
79.05486	1.2
81.03415	4.8
81.07004	0.9
81.98730	0.8
83.04964	1.3
84.04529	1.0
84.08100	1.4
85.02893	62.6
86.09705	1.1
87.04471	2.1
91.03931	3.2
91.05465	100.0
95.08574	1.1
97.02879	34.6
98.66747	0.9
99.04429	2.3
103.03944	1.1
105.07005	2.4
109.02859	6.1
115.03899	4.6
116.80882	0.9
117.07011	1.8
121.06470	0.8
121.10131	1.2
124.07555	1.5
127.03905	17.1
129.10220	0.9
133.06444	1.0
133.10152	0.8
143.08563	0.8
145.04936	30.9
152.06827	0.8
152.44048	0.8
153.06944	1.0
157.06409	0.8
161.04472	1.1
163.03888	1.4
163.05998	8.9
166.08664	0.9
167.07004	1.5
171.07990	1.2
211.22546	0.9
217.08562	3.1
235.09534	1.3
253.10704	2.2
276.16336	1.0
325.11166	1.0
390.15250	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
55.01865	4.0
55.05491	2.5
57.03431	33.4
59.04988	6.9
60.04517	2.4
60.94555	1.9
61.02922	9.6
67.05493	1.7
69.03037	4.3
69.03419	87.0
70.05176	10.3
70.06564	4.5
71.01345	3.9
71.04960	2.3
73.02915	25.3
74.93384	1.8
75.04467	3.6
75.19171	2.4
81.03397	6.4
81.07087	2.3
83.08669	1.8
84.08105	3.3
85.02892	100.0
86.09771	2.3
87.03942	3.9
87.04458	51.6
90.69833	1.9
91.03954	2.3
91.05463	7.6
93.07005	5.0
95.04964	3.3
97.02879	81.5
98.21377	2.9
99.04453	4.5
103.03948	2.4
103.05446	3.6
105.07016	3.0
107.04922	2.2
107.08546	3.4
109.02855	5.2
109.06494	2.7
109.10123	2.4
115.03914	87.4
117.06993	6.4
121.02812	3.1
121.06490	48.1
123.04401	2.0
124.07561	3.7
127.03915	18.1
128.06194	2.9
131.04919	3.0
131.08516	2.1
133.04942	79.7
135.08063	4.5
138.09128	3.1
139.03818	3.0
139.75543	1.7
143.57274	2.3
145.04953	19.4
145.06464	29.1
150.07603	14.2
159.08017	5.0
163.06044	5.9
163.07529	16.7
166.08635	8.5
171.08090	2.2
175.07454	11.2
179.06996	2.6
181.08569	3.1
187.07524	16.6
199.07521	2.2
205.06868	2.6
205.08601	13.2
217.06883	2.3
217.08614	17.5
223.06026	2.4
229.08501	5.1
235.09653	6.8
235.17023	2.2
241.07019	2.7
247.09671	5.1
259.08078	4.2
265.10635	6.5
277.09265	3.6
295.10352	2.7
343.10117	1.9
359.32980	2.0
392.37769	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63765	0.7
53.03935	2.2
55.01859	2.2
57.03428	6.3
61.02920	8.0
67.05523	0.9
69.03419	15.9
70.06572	2.2
71.04975	2.6
71.11943	1.4
72.08138	1.0
73.02906	3.5
76.03893	0.7
77.30540	0.8
79.05480	1.2
81.03400	7.1
81.07027	0.7
84.04498	1.4
84.08128	1.6
85.02892	100.0
87.04462	3.0
91.03929	5.9
91.05464	86.2
92.05798	1.2
93.07030	1.8
95.04959	1.2
95.08595	1.5
97.02878	37.7
99.04440	3.4
101.02384	0.9
103.03919	1.5
105.07021	2.6
107.04926	1.5
109.02851	7.6
109.06445	0.8
115.03915	4.2
116.78808	0.8
117.06954	1.4
119.04901	1.2
119.08557	2.4
121.06535	0.9
121.10104	0.7
123.08125	1.0
124.07542	1.1
127.03884	21.0
129.06981	1.1
130.53763	0.9
131.08536	1.5
133.06477	1.2
133.10115	1.0
135.08041	0.8
135.65227	0.8
135.88647	0.8
136.32164	0.8
137.05992	1.2
143.03383	0.9
143.08511	1.4
145.04935	47.5
145.10075	1.4
147.04381	2.7
149.05951	1.1
157.10062	1.2
159.11713	4.1
161.04424	2.4
161.05725	0.9
163.05994	17.7
167.07069	1.6
171.08008	1.3
175.14766	1.4
180.08669	1.0
199.14839	0.9
204.08711	0.8
217.08594	1.7
235.09561	1.3
253.10721	1.9
325.11227	1.8
430.45572	0.8
450.20407	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46820	2.5
55.05495	9.4
65.03946	3.1
67.05496	44.3
69.07053	10.1
70.94492	6.0
70.94865	6.1
79.05482	11.9
81.07043	45.4
82.07396	4.2
83.08612	6.7
91.05460	17.0
93.07018	12.7
95.08604	49.3
95.17230	2.5
97.10134	7.3
105.07007	8.9
107.08564	9.9
109.10143	25.3
119.04925	28.9
119.08577	10.5
121.10159	14.0
123.11678	11.9
131.08542	4.4
133.10127	15.4
135.11600	12.7
137.09583	4.6
137.13231	4.4
145.10168	4.5
147.04393	100.0
147.11671	5.5
149.13246	5.6
151.11133	10.0
159.11710	4.4
165.05476	13.0
167.10654	3.1
169.12206	3.4
193.05003	5.5
197.82092	2.7
202.14391	2.9
215.17934	16.7
233.19077	13.1
251.20067	38.7
433.30768	4.1
451.31982	6.4
459.70151	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	451.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68786	0.4
65.92476	0.5
69.68045	0.4
70.16587	0.7
70.16990	1.1
76.19812	0.5
79.05451	0.5
84.86777	0.4
85.02892	1.1
88.15979	0.4
91.77086	0.4
104.10737	0.7
119.01850	0.5
157.03453	0.6
161.02962	0.5
173.02914	0.9
184.06422	1.7
185.02910	0.5
221.05022	0.6
245.00671	0.6
321.10208	0.5
354.91098	0.6
391.02664	1.1
433.03763	0.7
451.04828	100.0
451.11905	8.0
452.04968	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	451.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
55.01848	0.7
55.05493	0.8
57.03389	0.3
57.07059	0.3
61.02901	0.4
65.03918	0.5
67.05504	1.3
69.03403	1.5
69.07048	0.8
70.06576	0.3
70.82070	0.8
71.04974	0.3
77.03925	0.3
79.05476	2.7
81.03397	1.1
81.07040	2.8
83.04956	0.7
83.08597	0.5
84.04473	0.5
85.02895	3.0
87.04440	0.4
91.05475	3.8
92.06237	0.5
93.07032	2.3
94.06559	1.1
95.04947	0.8
95.08589	2.4
96.08146	1.2
96.69302	0.2
97.02872	1.1
97.06519	0.3
99.04447	0.5
99.08055	0.3
100.11231	0.8
103.05432	0.4
104.04957	0.6
105.04463	0.3
105.07011	2.6
106.02312	0.3
106.05872	0.4
106.06537	5.0
107.08594	2.9
108.08094	0.8
109.02876	0.6
109.06502	0.5
109.10121	1.7
116.05008	0.3
117.05734	0.6
117.07017	0.4
118.06512	2.9
119.07269	0.7
119.08565	3.9
120.08091	13.6
121.06458	0.3
121.10101	2.0
122.05991	0.4
122.09634	0.7
123.04412	0.4
123.08070	0.5
123.11667	0.8
124.07574	8.8
126.09141	0.6
127.03868	0.6
128.06281	0.4
129.07007	0.2
131.08528	1.2
133.10098	2.3
134.05991	7.1
135.08090	0.3
135.11653	0.5
136.07555	3.5
137.05946	0.6
137.09534	0.3
138.05469	1.4
138.09135	0.8
142.07764	0.3
143.08530	1.0
145.04935	0.6
145.10086	3.3
146.05948	3.3
147.06795	2.5
147.11668	1.3
148.07550	12.5
149.13235	0.8
150.09109	1.0
151.03951	0.3
152.07028	1.6
154.12231	0.8
155.08569	0.2
156.09351	0.3
157.10115	1.4
159.11674	2.3
161.13225	1.0
162.09142	0.4
163.07487	0.3
163.14816	0.5
164.07043	64.9
165.07491	1.6
166.08632	2.2
169.10104	0.3
171.11649	1.1
173.13242	1.9
174.12759	0.4
175.14827	1.1
177.12704	0.3
177.16289	0.3
182.09682	0.3
183.11681	0.5
185.13245	0.9
187.14786	2.1
189.16356	1.0
191.14267	0.3
197.10561	0.3
197.13231	0.5
198.09138	0.5
198.12766	0.7
199.14809	1.5
200.10713	0.8
200.14256	0.3
201.16325	2.1
202.12100	0.3
205.15862	1.4
211.14713	0.5
213.05077	0.3
213.16324	1.1
214.10968	1.7
215.11897	0.6
215.15494	2.9
215.17529	0.4
216.10205	1.7
219.17455	0.3
225.13927	0.3
226.12183	1.7
228.04042	0.3
228.10175	0.7
228.12527	0.3
229.13335	1.4
229.15498	0.3
239.17877	0.3
241.19453	0.5
242.14134	0.3
243.14906	12.7
244.15224	0.6
245.16533	2.7
253.13448	1.5
253.19328	0.4
254.11726	1.2
271.14383	34.0
272.14700	1.1
281.18576	0.7
289.15424	100.0
290.15784	4.2
405.31583	2.0
433.31409	0.6
451.20892	1.7
451.32175	2.5
452.35730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	2.2
53.03927	5.4
55.01852	7.3
55.05500	16.4
57.03424	11.0
57.07058	3.2
61.02912	4.3
65.03934	2.6
67.05490	28.0
68.99749	6.0
69.03418	72.4
69.07059	18.2
70.28339	9.0
71.01331	8.2
71.04957	6.3
73.02898	5.3
73.07983	2.0
79.05479	28.0
81.03407	25.5
81.07043	74.7
83.01349	2.2
83.04951	9.1
83.08593	8.7
85.02895	37.0
85.06516	5.7
87.00830	19.9
87.04460	2.8
91.05465	34.0
93.07031	58.1
95.04971	17.0
95.08590	74.2
97.02884	23.1
97.06493	7.5
97.10157	3.9
99.04444	14.2
105.01834	7.5
105.07018	76.9
106.07319	2.2
107.08575	68.6
107.25635	1.9
109.02862	15.8
109.06479	8.6
109.10147	37.4
109.49610	2.0
111.04408	9.0
111.08067	6.0
113.05994	2.3
115.03895	11.1
115.05464	2.8
116.51000	2.1
117.01824	3.1
117.07003	12.3
119.07738	4.3
119.08564	60.8
121.06546	9.4
121.10127	35.7
123.04415	3.0
123.08056	8.1
123.11721	9.6
125.02310	2.0
125.05956	4.1
125.09624	3.8
127.03898	27.0
128.06245	2.5
129.01787	4.2
129.05435	2.5
129.06967	7.2
130.07785	3.8
131.08551	35.8
131.52373	1.9
133.10101	40.9
135.04453	2.1
135.08025	8.2
135.11664	18.6
137.05954	5.6
137.13284	2.9
139.07506	3.5
141.05420	2.0
141.06992	4.1
142.07748	8.8
143.03363	7.1
143.08531	19.1
144.09302	3.5
145.04909	9.3
145.10101	64.8
147.07874	2.5
147.11676	48.1
147.12778	1.9
148.11995	3.3
149.05934	4.6
149.09578	4.7
149.13229	29.1
151.07489	3.1
151.11169	2.8
153.09071	2.3
155.08502	10.4
156.09299	3.7
157.10088	30.7
158.10788	3.7
159.02867	7.8
159.08020	3.5
159.11676	47.6
160.12030	2.2
161.09583	4.7
161.13231	29.4
163.03801	2.4
163.07503	5.2
163.11172	3.2
163.14767	6.1
165.09114	2.8
167.07047	4.2
167.08545	3.3
168.09438	2.1
169.10133	13.2
170.10854	3.5
171.02925	2.2
171.08012	2.4
171.11687	21.4
173.09615	4.3
173.13277	18.0
175.11186	4.2
175.14775	25.3
177.12663	2.3
177.16335	3.4
179.08519	2.9
181.09981	4.5
183.11603	12.1
185.09590	3.1
185.13240	17.7
187.14807	20.3
189.03813	2.6
189.16377	15.8
193.10152	4.0
195.11655	9.0
197.13225	10.4
199.14792	22.0
201.03880	10.0
201.16357	85.6
202.16824	4.5
203.14282	4.3
203.17917	100.0
205.15862	7.6
205.19507	2.9
207.11601	2.8
209.13306	9.2
211.14799	10.7
213.03951	4.0
213.12830	4.0
213.16351	27.0
215.14314	2.9
215.17928	21.4
217.15805	2.4
219.17381	2.2
223.14841	5.4
225.12788	2.5
225.16287	7.9
227.14348	3.0
227.17857	14.4
229.15747	7.3
229.19443	2.2
231.04930	13.2
231.17365	22.4
233.19034	12.6
236.15538	2.5
237.13252	6.8
237.16306	7.4
239.17879	8.1
241.19411	3.2
243.17404	5.5
245.18988	7.0
251.14255	2.1
251.17853	4.7
255.14362	13.8
255.17134	4.0
257.18930	12.7
257.26138	2.1
259.17249	2.3
259.20621	2.3
261.18384	4.2
265.19571	4.5
267.17126	2.9
269.18982	5.4
271.08002	2.7
273.15472	2.3
273.18420	6.1
275.20120	24.3
278.16113	2.7
283.17502	2.2
283.20609	6.4
287.20074	3.6
293.18927	10.3
299.20065	3.8
311.20023	22.8
329.21024	22.1
347.22137	17.2
359.22144	2.8
389.23044	6.3
393.27609	2.5
397.20074	2.3
405.31683	14.2
415.21097	22.8
415.31198	2.2
423.32336	2.7
433.22171	33.5
433.31113	6.5
451.22720	16.4
451.32916	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	451.32
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
52.84349	2.1
53.03928	3.0
53.86487	2.1
54.33542	2.3
55.05507	21.7
57.07060	3.2
62.43644	2.2
65.03934	2.8
67.05498	26.3
69.07058	14.1
70.29324	12.9
76.38133	2.7
79.05481	27.3
81.07043	56.9
83.04983	17.8
83.08604	11.2
91.05465	38.4
93.07034	55.5
95.04953	25.9
95.08594	70.0
97.06497	3.4
97.10126	4.8
99.08068	7.6
101.74129	2.4
105.07016	73.0
107.08576	86.0
109.06505	12.0
109.10137	36.4
110.73535	2.3
111.08064	7.0
117.06987	12.2
119.08562	97.8
121.10135	45.4
123.08062	16.1
123.11682	17.1
125.09589	10.0
128.06200	5.7
129.06989	8.5
130.07791	3.9
131.08554	38.5
133.09248	2.2
133.10104	54.4
135.08028	4.4
135.11667	24.1
137.09599	5.8
137.13268	2.7
142.07753	9.4
143.08531	24.9
144.09286	3.9
145.10094	66.4
147.11662	44.2
149.13228	17.2
151.07573	2.9
153.09065	2.5
155.08543	6.1
156.09291	5.7
157.10101	45.1
158.10941	3.8
159.11685	57.0
161.09554	2.6
161.13220	32.8
163.07506	5.7
163.11124	4.1
163.14803	8.0
165.12714	3.3
169.10136	14.1
170.10854	5.5
171.11665	29.0
172.12459	2.4
173.13237	41.0
173.79468	2.5
175.11142	3.2
175.14792	30.4
177.09247	2.8
177.12784	4.1
177.16396	8.5
181.10028	3.8
182.10576	2.5
183.11647	17.0
184.12473	5.5
185.13223	28.0
186.14059	4.1
187.14803	47.0
189.12718	4.4
189.16409	18.2
191.14305	4.3
193.15971	3.3
195.11687	5.3
197.13197	15.7
198.13957	3.2
199.14789	40.5
201.16344	70.3
203.14299	8.3
203.17960	8.4
205.15872	17.7
207.11682	3.6
209.13272	9.5
211.14763	16.7
213.16335	36.4
215.14340	6.2
215.17929	9.1
217.15892	14.9
219.13841	5.5
219.17386	8.1
223.14801	6.7
225.16316	13.0
227.17937	9.4
229.15913	5.7
231.17422	10.8
233.15297	5.7
237.16406	5.1
239.17914	3.2
240.18588	2.6
241.19437	15.7
245.15375	11.0
247.16945	11.5
251.17979	4.3
253.19514	8.3
255.21008	5.1
259.16904	8.5
265.19470	5.3
267.21063	3.0
279.21082	4.4
281.22385	5.5
283.20468	4.1
283.24051	2.8
291.21133	3.6
293.22583	4.3
299.20007	4.5
333.25830	3.4
347.27274	4.2
355.26257	4.9
377.32111	3.4
387.30338	12.4
393.27838	11.3
405.26379	5.0
405.31470	77.2
407.33127	6.6
421.30984	4.6
423.32275	6.6
433.30850	25.4
451.32004	100.0
452.32291	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	451.32
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88975	1.9
55.05506	11.3
57.07074	1.9
65.03929	2.2
66.68203	1.8
67.05490	16.8
69.03392	3.1
69.07065	14.6
69.53367	16.7
69.53769	4.6
70.07412	2.0
79.05472	15.4
81.07043	38.6
83.04945	6.4
83.08597	7.6
91.05466	21.8
93.07035	34.6
95.04964	23.6
95.08591	47.1
97.06516	2.6
98.21458	2.7
105.07013	55.6
107.08578	60.4
109.06487	7.4
109.10135	25.3
111.08066	6.4
117.07006	9.5
118.80516	1.8
119.08567	71.9
121.10133	27.4
123.08031	7.8
123.11688	8.7
125.09641	4.7
129.06976	6.2
131.08543	35.6
133.10109	56.8
135.08080	4.3
135.11647	11.6
137.09601	2.4
137.58594	1.9
142.07738	3.5
143.08516	13.6
144.09297	3.3
145.10103	61.3
147.08015	2.0
147.11664	41.9
149.09555	2.6
149.13228	10.3
153.09056	2.3
155.08549	3.1
156.09337	4.6
157.10121	23.0
158.10847	2.3
159.11684	40.8
161.09586	5.8
161.13268	28.6
163.11298	2.5
163.14728	12.8
169.10118	8.9
170.10883	2.5
171.11687	18.5
172.12474	2.1
173.09607	2.8
173.13272	29.8
175.11206	3.9
175.14792	30.5
177.12732	3.4
177.16344	10.8
179.10638	3.0
179.14336	2.5
181.10141	3.1
183.11664	10.6
184.12543	3.8
185.07060	2.3
185.13219	13.9
187.14807	42.9
187.16537	2.1
189.16364	23.1
191.14333	3.3
195.11697	3.0
197.13254	8.0
199.14803	26.5
201.12692	4.4
201.16364	100.0
202.16786	2.4
203.14291	22.7
203.17911	33.6
205.15833	18.7
206.16473	2.0
209.13293	3.8
210.14014	2.7
211.14810	7.4
213.16321	20.5
215.14342	7.3
215.17952	7.2
217.15871	12.6
219.17406	6.0
223.14909	2.5
225.16357	5.3
227.17975	7.6
229.15813	6.1
229.19493	4.1
231.17407	6.0
233.15372	2.9
237.16461	4.2
239.17966	5.6
241.19505	7.0
243.17480	3.0
245.15323	3.7
247.16916	24.2
251.17979	4.4
253.19485	6.3
259.16776	2.6
265.19363	3.2
267.21109	4.3
273.18570	2.7
277.19489	2.4
281.22565	3.7
285.18552	3.2
287.20181	2.4
293.22681	2.2
299.20172	2.3
309.22089	2.4
327.23026	2.5
337.21631	2.0
347.27267	3.5
387.30301	9.7
393.27856	6.0
403.02927	2.2
405.31519	43.2
406.31995	2.6
407.33231	7.0
423.32498	5.7
433.31076	20.1
451.32025	79.4
452.32300	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3202
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
50.49916	1.5
53.03946	3.4
55.01860	2.8
55.05503	20.7
57.03419	3.8
57.07056	5.6
59.04985	2.7
65.03925	4.4
67.05494	36.0
67.35015	1.6
69.03098	1.2
69.03432	10.2
69.07053	16.9
69.53780	1.3
70.79725	1.4
71.01322	1.4
71.04985	2.7
79.05482	27.2
81.03410	5.3
81.07047	68.6
83.04967	11.1
83.08612	11.1
85.02901	6.5
85.06522	2.7
87.00815	1.9
91.05467	37.2
93.06436	3.0
93.07032	63.1
95.04447	1.2
95.04960	35.3
95.08595	85.3
97.02872	5.3
97.06519	5.9
97.10156	4.3
99.04465	2.0
99.08076	6.1
103.05451	1.9
105.07017	76.2
107.04958	1.3
107.08582	99.2
109.06494	13.8
109.10148	47.6
111.08082	8.1
111.11681	1.6
115.05433	3.2
117.06993	13.2
119.08567	100.0
120.08887	1.8
121.06497	3.0
121.09258	3.1
121.10130	48.6
123.08064	19.3
123.11692	18.0
125.05958	2.3
125.09607	16.8
127.03876	3.1
128.06190	3.2
129.06969	7.9
130.07797	3.2
131.08556	38.1
133.10112	59.9
135.08034	4.7
135.11673	27.5
137.05013	1.4
137.06024	3.8
137.09599	8.6
137.13300	2.7
141.06987	3.0
142.07780	7.2
143.08539	22.6
144.08116	2.5
144.09343	4.2
145.10107	68.9
147.11664	39.6
147.12842	1.5
149.09648	4.7
149.13255	16.6
151.07539	3.1
151.11198	6.3
153.07054	1.6
153.09100	4.7
155.08533	8.2
156.09346	3.7
157.10112	37.9
158.10866	4.2
159.07997	2.3
159.11673	61.1
161.09645	6.1
161.13248	27.8
163.07539	5.4
163.11171	3.5
163.14821	7.5
165.12721	3.3
167.07056	2.4
167.08524	2.8
168.09338	3.1
169.10094	14.4
170.10858	5.5
171.09346	1.8
171.11670	37.6
172.12387	2.5
173.09673	2.0
173.13248	41.9
175.11185	4.9
175.14795	32.0
175.16167	2.4
175.99527	1.4
176.15303	1.2
177.09105	3.7
177.12764	3.8
177.16364	9.5
179.10619	1.7
179.14267	2.4
181.10112	5.3
181.12209	1.8
182.10852	2.3
183.11671	16.6
184.12415	3.9
185.09665	2.3
185.13246	26.1
187.11176	2.2
187.14803	47.2
189.09119	1.9
189.12770	3.3
189.16389	19.7
191.10577	2.6
191.14279	2.5
191.17960	3.8
193.10303	1.7
193.12206	2.5
193.15889	4.6
195.11716	6.4
196.12440	2.0
197.13239	14.9
198.14029	2.0
199.11264	1.6
199.14799	46.0
200.15318	2.4
201.12708	2.5
201.16364	59.6
202.16745	1.8
203.14273	10.6
203.17914	17.3
203.68234	1.5
205.12181	2.6
205.15866	16.2
207.11763	2.2
207.17517	1.8
209.13211	8.3
211.14798	14.1
213.12968	1.4
213.16351	38.7
214.17041	1.7
215.14259	5.2
215.17923	11.3
217.12349	1.9
217.15855	10.5
217.19394	1.6
219.11792	1.7
219.13728	6.2
219.17474	7.2
221.13216	3.1
221.15277	1.6
223.14862	4.7
224.15256	1.5
225.16414	9.8
227.14305	1.6
227.17909	10.7
229.15921	5.1
229.19507	3.0
231.13794	1.9
231.17480	9.0
233.15344	4.6
233.19086	1.8
235.14845	1.7
237.16400	4.2
239.17995	8.5
241.19408	8.0
243.17462	1.8
245.15312	10.0
245.18974	2.1
247.16966	7.4
249.16461	2.6
251.17969	4.6
253.19417	9.4
255.17580	1.6
255.21062	5.4
257.15460	2.8
257.18982	2.6
259.16953	10.2
259.20697	1.8
263.18018	2.0
265.19507	5.8
267.17947	1.4
267.21094	5.4
269.18961	2.6
271.16766	2.0
273.18481	5.1
275.20242	1.8
277.19678	2.2
279.20929	2.4
281.19180	1.6
281.22751	4.4
283.20645	3.1
283.24030	1.6
285.18555	4.2
285.22064	1.5
287.19955	3.2
291.20880	2.3
293.19019	2.1
293.22781	2.6
297.22079	3.0
299.20093	4.8
299.23550	3.0
307.24194	1.9
311.20013	3.0
311.23453	2.0
313.21472	2.6
325.21643	3.2
327.23169	2.1
329.21390	2.3
333.25769	2.0
339.23264	1.9
347.27164	3.6
349.25137	2.3
355.26300	5.7
363.26886	2.0
387.30548	8.6
391.26038	1.6
393.27814	5.0
405.31509	76.7
406.31912	3.2
407.32996	7.1
409.27530	1.5
415.30701	1.6
423.32455	3.0
433.22525	2.5
433.31052	23.2
451.32062	86.8
452.32495	4.1
468.67551	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3199
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
55.01854	2.5
55.05498	19.8
57.07048	4.8
61.01329	2.4
65.03929	6.0
67.05494	34.2
69.07055	16.3
69.89414	11.8
69.89819	5.3
79.05484	24.1
81.06554	2.6
81.07043	49.4
83.04967	14.4
83.08620	12.4
91.05460	32.6
93.07030	56.9
95.04961	34.9
95.08584	77.2
97.06513	3.6
99.08060	3.2
105.06325	5.0
105.07013	70.5
107.08575	96.3
109.06493	10.9
109.10126	38.9
111.08052	7.4
116.06199	2.9
117.06971	12.9
119.08563	100.0
119.09410	5.5
121.06485	4.4
121.10124	45.9
123.08035	17.3
123.11694	17.0
125.09640	20.4
128.06248	3.5
129.06995	7.8
130.07698	2.6
131.08556	38.7
133.09164	4.4
133.10112	51.1
135.08025	2.7
135.11671	21.7
137.09569	7.9
139.11107	3.8
141.06953	2.5
142.07776	6.5
143.08521	29.1
144.09268	4.7
145.10103	61.1
147.11659	41.9
149.09625	3.5
149.13243	12.3
151.11127	7.6
153.09056	4.1
155.08543	9.0
156.09320	5.3
157.10117	38.2
158.10852	5.0
159.11670	47.5
161.09651	3.2
161.13245	22.2
163.07529	5.8
163.14798	6.0
169.10101	11.3
170.10896	5.2
171.11649	29.0
172.12518	3.5
173.09607	3.7
173.13234	36.8
175.11249	4.9
175.14798	27.1
177.09097	3.5
177.12695	3.5
177.16374	8.7
182.10832	3.3
183.11646	13.9
184.12460	3.0
185.13222	22.5
186.13916	2.9
187.11221	3.0
187.14804	44.0
187.16396	4.9
188.15138	2.7
189.16362	17.9
191.14326	2.8
191.17990	3.0
193.15765	3.6
195.11649	4.6
197.13261	14.8
198.13850	2.9
199.14792	43.3
201.09035	2.6
201.12614	3.1
201.16368	52.5
203.14278	10.9
203.17915	7.5
205.15857	9.9
209.13202	8.0
211.14717	12.1
213.16351	30.7
214.16974	3.5
215.14288	5.5
215.17966	8.2
217.15837	8.7
219.13809	3.8
219.17458	2.8
223.14735	7.7
225.16365	11.0
227.17928	9.9
229.15852	5.1
231.17427	5.9
233.15195	3.3
237.16414	4.3
239.17934	9.4
241.19594	5.4
243.17613	3.1
245.15338	13.4
247.16924	8.2
251.17914	3.3
253.19536	6.9
255.21048	6.5
259.16965	8.0
265.19577	3.6
267.21075	4.7
273.18561	2.9
297.22128	3.5
331.96503	2.8
335.23569	3.4
347.27274	4.7
349.25177	3.0
355.26270	4.1
387.30432	11.5
393.27805	7.2
395.10287	3.6
403.26181	6.1
405.26450	3.6
405.31540	71.6
407.33005	6.7
433.31073	18.5
451.26111	5.2
451.32034	77.4
452.32498	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	451.3199
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
55.01870	2.5
55.05501	16.5
57.07063	3.9
65.03921	2.4
67.05500	26.3
67.35339	2.0
69.03427	2.6
69.07068	16.7
70.95670	5.7
75.92038	1.9
79.05480	25.2
81.07047	47.7
83.04969	5.4
83.08617	10.5
91.05471	29.8
93.07027	47.9
95.04954	35.0
95.08589	62.3
97.10164	2.9
105.07013	60.9
107.08580	77.7
109.06487	6.5
109.10140	34.4
111.08083	4.4
117.07001	12.2
118.97996	2.1
119.08563	86.2
121.10130	39.1
121.76730	2.4
123.08067	13.6
123.11714	12.3
125.09599	13.5
129.06985	5.5
130.07794	2.7
131.08543	37.0
133.10115	59.6
135.07999	3.1
135.11674	17.1
137.09615	4.7
141.07004	3.3
142.07703	4.8
143.08553	21.5
145.10103	61.3
146.10448	2.4
147.11670	33.1
149.09691	2.6
149.13248	9.1
151.11142	3.4
155.08533	7.6
156.09277	5.2
157.10114	25.0
159.11679	49.3
161.13220	28.4
163.07486	3.1
163.11221	3.0
163.14787	12.1
169.10127	10.1
170.10912	4.4
171.11699	22.2
172.12476	3.5
173.13251	43.3
175.11275	4.1
175.14804	25.6
177.09081	3.6
177.12875	2.3
177.16350	6.4
179.14311	4.2
181.09999	3.3
183.11687	12.2
184.12318	2.8
185.13211	17.8
187.14807	42.0
189.12723	3.5
189.16374	19.7
191.14311	3.4
195.11725	3.5
196.12454	2.6
197.13243	9.6
199.14793	28.7
201.12703	3.5
201.16353	68.6
203.14244	11.3
203.17903	14.9
205.15831	13.6
209.13168	4.6
211.14832	10.5
213.16331	26.4
215.14339	5.7
215.17860	11.6
217.15918	9.2
219.13736	2.5
219.17453	3.2
223.14899	4.2
225.16406	9.0
227.17944	8.9
229.15901	4.3
231.17397	4.8
233.15416	3.5
239.17970	8.4
241.19498	6.2
243.17453	3.1
245.15359	6.7
247.16878	12.7
251.17894	4.0
253.19496	10.1
257.18719	2.5
259.16925	5.4
265.19516	3.1
269.18967	3.5
271.17090	2.8
271.45999	2.3
273.18396	3.3
281.22430	3.2
285.18558	3.8
291.20999	4.6
299.20224	4.6
309.25882	3.5
325.21487	3.6
347.27249	3.5
355.26193	3.1
363.26987	2.6
375.66315	2.4
387.30493	12.7
393.27954	4.4
405.31500	57.4
406.31827	4.0
407.33069	8.1
423.32452	4.0
433.31149	23.8
451.32050	100.0
452.32413	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	451.32
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
55.05503	16.9
57.07067	4.0
60.22160	1.7
60.45327	1.6
65.03922	2.7
67.05492	24.8
69.03419	2.3
69.07057	13.4
71.16241	4.5
79.05482	22.0
79.90822	1.6
81.07043	39.5
83.04969	29.8
83.05470	2.3
83.08591	10.1
85.06547	2.0
91.05454	23.1
93.07030	38.6
93.07585	3.0
95.04953	15.2
95.08588	47.7
97.06522	2.0
97.10161	4.9
99.08083	3.1
105.07014	54.6
105.07728	3.2
107.08570	63.4
109.06496	8.0
109.10143	29.5
111.08061	5.2
115.05424	1.9
117.07011	8.6
119.08561	100.0
121.06470	3.1
121.10130	39.3
123.08054	7.0
123.11704	12.9
125.09628	8.0
128.06235	3.5
129.06960	8.8
131.08540	26.2
133.10114	55.3
135.08034	4.3
135.11667	19.1
137.09645	3.0
137.13306	2.8
142.07751	4.7
143.08568	14.7
144.09294	4.1
145.10098	49.0
147.07951	2.3
147.11658	25.3
149.09622	2.4
149.13248	11.5
151.11086	2.1
153.09111	2.5
156.09334	7.1
157.10110	25.3
158.10924	4.4
159.08018	1.9
159.11656	40.2
161.09616	3.6
161.13206	14.2
163.07520	4.6
163.14767	8.7
167.08617	2.0
169.10086	11.6
170.10892	3.6
171.11659	20.9
172.12463	2.2
173.09587	4.0
173.13217	30.9
175.14813	27.2
177.09106	3.4
177.16393	7.5
181.10048	2.4
183.11678	12.3
185.13197	14.6
187.14792	29.4
189.09038	2.2
189.11180	1.9
189.12737	2.4
189.16356	15.7
191.14381	2.2
191.17926	3.0
193.15977	2.3
195.11716	6.5
197.13318	8.1
199.14818	19.3
201.16359	26.7
203.14244	2.8
203.17947	7.2
205.15884	6.0
207.13776	2.8
209.13284	4.9
211.14729	8.8
213.16347	18.5
215.14294	3.5
215.17967	5.0
217.12175	1.9
217.15851	7.5
219.17487	2.3
221.13150	3.3
223.14839	5.3
225.16405	4.9
227.12677	2.1
227.17938	4.9
229.15814	4.6
229.19521	2.9
231.17416	4.7
233.15356	4.2
235.14836	2.2
235.16972	3.3
237.16454	2.2
239.17914	5.9
241.19481	12.3
243.17592	2.3
245.15451	3.2
247.17014	3.2
253.19485	2.2
257.15341	5.0
259.17038	4.2
265.19452	3.6
267.21082	4.2
273.18604	2.2
291.21088	3.1
295.68799	2.6
299.20068	2.3
309.22211	2.4
309.25754	2.4
317.22836	2.5
317.97437	2.0
333.25787	3.1
339.23148	2.3
347.27576	4.1
349.24997	2.4
355.26202	1.9
369.27896	2.1
387.30923	9.1
389.32108	3.1
393.27835	8.1
405.31424	38.4
407.33194	8.7
433.31171	12.2
451.27173	3.7
451.32068	78.3
452.32590	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	451.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.8
55.05493	19.0
57.07061	3.8
59.81261	1.8
65.03923	3.1
67.05495	26.9
68.54875	1.7
69.03404	3.1
69.07060	17.2
71.05003	1.8
79.05483	25.4
81.07047	53.7
83.04979	20.1
83.08599	11.2
90.04668	1.8
91.05466	35.7
93.07037	54.5
95.04973	5.6
95.08595	68.0
96.10966	1.8
97.06512	4.9
97.10150	3.3
99.08090	4.5
105.07011	75.5
106.07304	2.7
107.04945	1.9
107.08582	72.3
109.06507	8.5
109.10149	41.5
111.08080	5.3
115.05414	1.9
117.06995	11.1
119.08568	100.0
121.06539	2.5
121.10127	58.7
121.10974	3.4
122.10462	2.0
123.08077	5.6
123.11687	26.1
125.09632	9.3
128.06230	3.5
129.07005	9.8
130.07780	2.3
131.08559	38.1
133.10118	61.0
135.08148	3.1
135.11685	21.0
137.09613	6.7
137.13300	2.4
141.06972	3.9
142.07788	8.7
143.08566	21.8
143.13696	2.2
144.09328	4.4
145.10100	73.3
146.10770	2.3
147.11665	29.7
147.12711	2.6
149.09595	2.6
149.13232	10.5
151.11220	6.7
155.08575	6.2
156.09389	8.3
157.10101	33.2
158.10902	4.0
159.11673	51.0
159.12939	2.8
161.09653	3.9
161.13249	28.4
163.07610	6.0
163.11185	4.1
163.14857	7.0
165.12733	2.9
169.10110	13.1
170.10869	6.1
171.11676	29.8
172.12448	5.4
173.13242	42.2
174.73671	1.9
175.14793	30.4
177.12711	2.3
177.16415	8.8
179.14238	3.4
181.10213	2.5
183.11635	10.9
184.12480	4.8
185.13252	18.4
187.14798	50.9
189.16393	20.3
191.14328	7.5
191.17989	3.0
193.15939	5.6
195.11711	5.5
196.12488	2.5
197.13206	14.8
198.14117	2.8
199.14806	45.7
200.15131	2.6
201.16364	45.7
203.14301	5.9
203.18002	6.2
205.15846	30.8
207.11378	2.0
209.13297	8.9
211.14793	19.5
213.16362	41.6
214.17029	3.3
215.14383	4.0
215.17906	11.4
217.15814	9.6
219.13806	2.6
219.17375	8.4
221.13257	3.5
223.14838	6.3
225.16391	6.1
227.17990	7.5
229.15869	2.6
231.13879	2.5
231.17525	5.5
233.15431	3.9
237.16354	3.5
239.17953	5.9
241.19487	10.0
243.17400	2.3
245.15378	13.1
247.16942	4.1
251.17917	5.6
253.19482	7.0
254.20171	2.4
255.21169	5.1
258.16083	3.2
259.16855	9.3
265.19568	7.2
267.21170	6.7
277.19385	2.2
279.21158	3.5
283.20654	3.6
293.22720	2.6
299.20334	4.7
327.23392	2.8
335.23907	3.3
339.23315	2.1
363.27151	2.5
387.30499	10.6
389.31851	2.4
405.31454	74.3
406.31879	3.7
407.33179	10.3
421.31070	4.4
433.30951	25.0
451.26166	4.8
451.32089	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
53.83494	1.9
55.05499	17.0
57.07050	3.6
63.60770	2.0
65.03922	2.8
67.05498	24.3
69.03397	3.0
69.07062	18.3
69.50246	21.2
73.64148	1.9
79.05490	21.2
81.03381	3.8
81.07041	47.6
83.04971	22.4
83.08617	13.5
85.02892	3.2
85.06544	3.6
91.05463	32.5
93.07032	46.7
95.04945	7.2
95.07999	3.9
95.08596	57.4
97.06489	4.7
97.10169	4.1
99.08079	5.1
105.06332	3.9
105.07015	62.0
105.41653	2.1
107.08578	73.7
109.02881	3.9
109.06509	7.4
109.10134	31.8
111.08038	7.5
117.07019	13.0
119.08567	100.0
121.06529	3.8
121.10125	45.9
123.08031	8.6
123.11687	19.0
125.09620	7.3
128.06189	4.3
129.06996	7.6
130.03236	1.7
131.08545	46.7
133.06456	3.3
133.10110	57.3
135.08011	7.8
135.11682	18.8
137.05959	7.7
137.09608	5.1
137.13216	4.2
142.07751	6.8
143.08562	19.9
144.09338	5.9
145.08968	3.9
145.10106	74.6
147.04356	3.9
147.08096	2.9
147.11678	29.2
149.09566	3.5
149.13235	15.3
151.11130	6.1
153.09061	2.1
155.08513	8.6
156.09341	8.9
157.10124	32.0
158.10852	5.9
159.11673	55.6
161.13245	24.9
163.07506	5.8
163.11203	4.2
163.14862	10.1
169.10106	13.9
170.10875	6.1
171.11656	27.9
172.12440	2.2
173.13228	39.5
175.11093	3.1
175.14798	38.0
177.12756	2.9
177.16365	10.6
181.10100	3.1
181.70428	2.2
183.11699	13.9
184.12395	5.3
185.13268	17.6
187.11186	3.2
187.14787	64.9
188.15361	2.2
189.12741	2.8
189.16391	20.0
191.14278	10.3
191.17941	3.6
193.15819	4.1
197.13232	14.2
199.14803	51.3
200.15239	2.3
201.16339	53.6
203.14275	8.2
203.17879	10.7
205.15849	36.1
209.13240	5.2
211.14763	15.2
213.16336	37.9
215.14330	4.9
215.17999	6.7
217.15880	6.8
217.19440	2.4
219.13737	2.6
219.17412	7.5
221.13284	3.2
223.14841	4.2
225.16328	7.8
227.14232	2.4
227.17885	6.5
229.15868	5.3
229.19466	4.3
231.17409	7.8
235.14882	3.6
237.16376	6.0
239.17946	4.6
241.19435	11.5
243.17474	3.1
245.15395	8.7
245.19131	2.3
247.16942	2.8
251.17888	3.3
253.19568	3.0
255.21083	2.8
257.19070	4.0
259.16888	6.4
263.17978	2.4
265.19565	4.8
267.21011	4.6
277.19461	2.2
279.20944	4.3
309.22272	3.1
317.22476	2.3
381.13565	2.2
387.30463	7.6
405.31488	63.1
405.36819	3.2
406.31506	2.3
407.32864	11.4
421.31082	4.8
433.30798	17.0
451.32007	69.5
452.32339	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	452.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	4.0
56.96540	3.8
57.03425	24.1
58.61399	3.5
59.04984	7.3
60.04502	8.9
61.02907	6.5
65.03563	3.4
69.03420	96.6
71.70182	6.5
73.02917	4.6
75.04457	5.8
76.59745	3.4
79.05463	3.7
81.03398	13.3
84.04488	4.5
85.02893	69.2
87.04450	66.0
94.30309	3.5
94.89209	3.6
95.04936	4.9
97.02879	66.2
98.97545	5.1
99.04401	3.7
104.07073	7.2
109.02862	39.1
115.03898	96.8
121.06503	5.8
123.04437	20.2
123.06164	3.7
127.03873	9.7
131.04919	3.9
133.02831	18.4
133.04955	100.0
136.07579	4.0
137.05930	11.4
141.05441	32.8
141.06407	5.6
145.04929	7.6
149.05968	5.8
150.07600	16.6
153.05463	4.4
165.05466	38.3
177.05417	11.4
207.06490	4.3
219.06483	15.8
237.07558	17.8
267.08585	5.3
272.06473	5.3
333.40384	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	453.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73825	0.7
53.03935	4.2
55.01861	1.8
55.05271	1.0
55.05504	12.8
57.03201	0.9
57.03428	10.0
57.07059	1.0
61.98074	0.9
65.03905	1.9
67.05495	36.4
69.03409	1.1
69.07060	6.9
71.04986	1.1
71.25373	1.7
71.25716	0.8
73.06539	1.4
77.03924	0.8
79.05484	42.5
81.03406	5.7
81.07046	29.4
81.07452	0.5
81.07532	0.8
83.04973	12.3
83.08585	3.5
85.02877	0.9
85.06520	2.0
89.61972	1.1
91.05466	28.7
92.05804	1.0
93.07031	32.4
95.04953	13.5
95.08592	19.6
97.06503	2.9
97.10160	1.7
97.85079	0.9
98.98451	37.3
99.08076	1.0
105.07017	24.4
107.04948	3.6
107.08569	14.1
109.06477	4.7
109.10126	5.3
111.08036	1.8
116.99477	1.0
117.07001	5.2
119.07746	1.0
119.08565	16.4
121.06488	1.8
121.10107	5.7
123.08061	4.1
123.11694	0.9
127.07528	0.9
128.06154	1.4
129.06987	11.3
131.08530	3.4
133.10138	7.7
135.11656	3.4
136.99988	1.1
137.09578	0.8
143.08524	5.4
145.10098	7.9
147.07982	1.6
147.11652	21.6
151.07475	0.8
155.01007	6.9
156.09311	1.1
157.10149	0.9
159.11708	1.2
161.09558	2.5
161.13254	9.8
163.11124	1.2
171.11655	20.2
173.02106	4.8
173.13225	2.1
175.14844	1.0
179.14165	0.7
181.19145	0.7
183.11768	0.7
187.14749	2.0
189.12712	14.0
199.14783	1.6
201.16342	1.1
207.13786	15.4
207.44597	0.8
211.14777	1.1
225.14865	1.7
233.43103	0.8
247.05711	3.5
253.17943	1.3
263.16333	5.1
273.18439	0.9
281.17441	100.0
282.17722	5.1
407.32956	0.9
417.16663	4.8
453.33774	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	453.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.2
55.01868	2.1
55.05503	20.1
55.51366	1.1
57.03181	1.4
57.03423	10.7
57.07053	1.9
59.81421	0.9
65.03919	1.9
67.05496	43.0
69.03412	2.4
69.07062	13.8
71.04962	1.4
73.36697	0.9
79.05480	50.1
81.03405	7.8
81.07043	46.7
83.04968	16.8
83.08598	8.4
84.16417	0.9
85.02870	1.7
85.06525	3.8
91.05466	43.3
93.07030	44.8
95.04398	1.3
95.04957	14.5
95.08003	1.9
95.08593	34.1
96.08889	1.0
97.02869	1.8
97.06531	5.7
97.10165	3.1
98.97805	1.8
98.98454	37.3
99.08068	2.9
105.04499	1.0
105.07014	42.4
105.07724	2.3
106.07359	1.2
107.04923	4.1
107.08578	30.4
109.02859	1.2
109.06487	5.7
109.10139	15.3
111.04424	1.1
111.08067	3.2
116.99470	1.5
117.06992	8.3
119.08562	37.8
120.08922	1.5
120.49945	1.0
121.06451	3.0
121.10133	15.4
123.07272	1.1
123.08040	6.9
123.11703	4.1
125.09622	2.7
127.07616	1.2
128.06177	2.4
129.06996	12.3
130.07767	1.1
131.08548	12.4
133.06491	1.3
133.10120	22.3
135.08025	1.9
135.11679	9.0
136.99922	1.4
137.09572	2.7
139.07527	1.5
142.07759	2.0
143.08546	8.7
144.09363	1.1
145.10109	23.7
147.08081	2.4
147.11665	36.3
149.09604	2.8
149.13243	4.9
151.11157	2.8
155.01015	8.8
155.08540	1.4
156.09317	1.7
157.10086	7.8
158.10866	1.6
159.11685	15.8
161.09550	5.2
161.13237	15.9
163.03845	1.2
163.11116	3.5
163.14819	5.3
165.09151	1.4
165.12759	1.8
169.10075	2.1
170.10898	1.5
171.11662	25.6
173.02168	4.7
173.09686	0.9
173.13216	7.2
175.11224	1.5
175.14789	6.6
177.12711	3.6
177.16399	3.4
183.11649	4.4
185.13220	6.3
187.14801	13.3
189.12718	13.0
189.16394	13.3
191.14275	2.3
195.11761	1.3
197.13210	3.7
199.14751	6.0
201.16376	11.4
203.14279	2.1
203.17912	4.4
205.15825	6.7
207.13771	14.4
209.13353	1.7
211.03740	1.2
211.14784	1.5
213.16368	6.7
215.17937	3.8
217.15918	2.6
217.19470	1.3
219.17415	2.3
223.14708	1.4
225.14671	1.9
227.17899	2.9
229.04764	1.2
229.15895	1.7
231.17337	2.4
235.16869	2.1
241.19568	2.3
247.05760	2.4
253.17668	1.9
255.21091	1.7
263.16287	4.7
267.21051	1.3
281.17422	100.0
282.17670	3.2
283.20346	1.3
407.33142	12.6
417.16800	4.9
435.32895	8.4
453.34097	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	453.3356
Annotation	Stellettin J
Peak:m/z	Relative Intensity
50.48842	1.9
54.31115	1.6
55.05509	9.3
57.07060	4.6
64.43262	2.0
66.88352	1.8
67.05497	14.6
69.07061	16.8
69.69601	15.3
70.58655	1.7
77.53939	1.7
79.05478	13.8
81.07048	27.7
83.08594	8.7
91.05463	16.2
93.07025	31.9
95.04969	2.9
95.08593	53.8
97.10136	3.4
105.07005	34.2
107.08575	46.9
108.08929	2.0
109.06499	3.5
109.10142	29.7
109.17439	2.2
111.08065	2.0
117.06999	5.8
119.08569	51.6
120.08865	2.1
121.06464	3.4
121.10130	34.1
123.08026	4.3
123.11682	9.8
129.06985	4.2
131.08543	18.1
133.10114	38.2
135.08034	6.1
135.11668	27.3
137.06052	2.6
137.13231	5.5
143.08510	9.4
145.10103	34.8
147.11655	27.0
149.13255	16.5
151.11212	2.5
155.08578	4.4
157.10089	17.1
158.10890	3.5
159.11667	30.8
161.13246	23.6
163.11136	9.8
163.14799	7.0
165.12764	2.4
169.10130	5.8
171.11638	13.4
172.12476	2.1
173.13246	15.7
175.11151	3.2
175.14784	21.4
177.12801	2.8
177.16408	7.9
181.10175	3.7
183.11684	5.4
185.13232	10.8
187.14801	33.0
188.15102	2.1
189.16364	19.1
191.14409	2.2
191.17914	6.0
195.11720	3.1
197.13237	5.9
199.14856	9.5
201.16371	38.1
203.14325	4.8
203.17972	11.9
205.15820	17.6
205.19510	3.5
207.17409	3.9
209.13220	4.5
211.14850	8.5
213.16377	9.6
215.14323	2.9
215.17953	12.9
217.15831	3.9
219.17491	5.6
221.96776	2.0
223.14771	3.2
225.16460	3.3
227.17970	7.4
229.15912	3.6
229.19505	7.2
231.17293	2.5
233.18962	2.9
235.16956	3.3
237.16409	2.6
239.17943	4.3
241.19467	8.0
243.21175	3.4
247.16936	7.4
249.18439	2.7
253.19563	5.5
253.88863	2.4
255.21085	6.5
257.22736	2.5
264.48959	2.2
267.21078	7.0
273.18591	2.2
275.20068	4.7
279.21011	4.1
287.20016	3.7
293.22568	5.1
299.20062	3.8
301.21637	3.3
311.23703	8.3
313.21567	5.2
319.24152	2.3
327.23016	2.6
339.23291	2.8
389.31918	15.2
407.33008	52.1
407.38058	3.1
408.33099	2.7
435.32571	41.5
453.33609	100.0
454.34045	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	453.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65058	2.1
55.05492	8.0
55.76170	1.9
63.05832	1.9
67.05499	16.0
67.68889	1.8
69.07055	13.3
71.04987	2.3
71.70863	2.9
71.71223	2.2
79.05479	17.2
81.07039	22.5
83.04921	2.1
83.08601	8.7
91.05449	14.3
93.07038	23.5
95.08004	3.0
95.08591	53.7
97.10172	2.5
99.08050	2.7
100.11253	3.3
100.15741	1.7
104.51494	2.2
105.07018	25.0
107.08575	62.0
108.08839	2.3
109.06487	3.8
109.10142	22.3
111.08093	2.3
119.08559	34.7
121.10133	29.8
123.08045	3.1
123.11672	8.4
129.06935	2.7
131.08553	9.1
133.10110	28.4
135.08020	36.9
135.11646	14.4
137.09589	3.6
137.13260	5.8
143.08502	6.3
145.10104	16.3
147.11697	20.3
149.09566	6.2
149.13235	23.2
157.10095	6.6
159.11670	15.0
161.09619	4.8
161.13229	17.0
163.11156	3.4
163.14780	12.5
169.10080	2.9
171.11646	5.8
173.13248	7.9
175.11221	4.1
175.14771	27.2
177.12772	3.2
177.16373	8.9
179.10667	5.9
183.11667	5.4
185.13225	7.0
187.14809	18.0
189.12772	4.4
189.16321	21.0
191.14337	2.6
191.17908	6.2
193.12143	3.1
193.15848	3.8
199.14827	4.6
201.16420	13.2
203.14270	27.4
203.17920	36.5
205.15883	12.2
205.19441	2.2
211.14885	2.5
212.40234	2.3
213.16319	4.0
215.14259	3.0
217.15808	3.8
219.17418	5.5
221.15327	100.0
222.15718	4.4
227.17737	2.7
229.15820	3.1
229.19429	3.0
231.17407	3.6
235.16859	2.3
241.19371	3.1
247.16829	2.4
261.18225	2.9
267.21014	2.1
309.08414	2.3
311.23743	6.9
329.24713	12.8
355.26215	2.7
389.31836	4.3
407.33032	25.2
408.33453	2.4
425.34128	35.6
426.34314	2.7
435.32797	11.0
453.33691	34.4
454.33722	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	453.3357
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05507	17.3
62.96914	3.3
67.05495	26.7
69.07060	18.1
69.95154	17.6
71.04714	2.9
79.05492	19.6
80.32396	3.4
81.07042	47.2
83.04969	89.6
83.08601	9.0
91.05463	23.0
93.07033	55.3
94.41888	3.2
95.04972	22.3
95.08595	100.0
95.09202	6.5
96.08892	4.4
97.10150	7.2
98.47458	3.7
105.07019	70.6
107.08582	71.6
109.06496	7.6
109.10151	48.8
111.08067	8.3
117.07013	10.6
118.07698	2.8
119.08569	94.1
121.10130	51.4
123.08066	17.7
123.11694	23.0
125.09619	6.0
129.06990	5.4
130.07751	3.5
131.08539	29.6
132.72833	3.2
133.10114	60.9
135.11659	31.2
139.51289	3.2
143.08560	11.6
145.10106	51.4
147.11668	52.9
149.13252	20.8
151.11263	4.4
157.10112	11.7
159.11676	60.3
161.13246	52.2
163.14813	22.8
165.09006	3.3
171.11710	6.5
173.13234	23.6
175.14812	32.9
177.12836	3.2
177.16357	19.5
179.10611	5.1
183.11700	5.7
185.13275	8.0
186.14061	3.8
187.14792	30.7
188.15091	3.6
189.16368	68.0
191.14200	4.0
191.17870	18.7
195.48102	3.6
199.14772	12.9
201.16357	75.2
202.16730	4.1
203.17938	37.9
205.15804	20.5
207.17422	5.3
213.16423	11.5
215.17955	28.6
217.15837	24.1
219.17450	17.5
227.18001	8.8
231.17468	9.0
233.19063	3.7
235.16818	15.0
241.19572	5.3
247.16986	21.3
249.18515	3.7
253.19447	6.1
261.18463	12.0
267.21198	5.2
283.24231	5.2
349.28827	9.1
357.27899	6.5
371.29535	4.1
389.32147	8.3
395.29578	9.4
407.33072	47.4
408.33267	4.4
435.32715	16.2
453.33725	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3359
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03944	3.4
55.05510	20.6
57.07058	4.8
67.05491	30.8
69.07056	22.7
69.72191	19.6
79.05486	24.2
79.05938	3.2
81.07047	64.3
82.17295	2.2
83.04971	4.7
83.08600	11.3
85.06527	2.1
91.05464	28.3
93.07024	55.2
95.04948	6.6
95.08592	100.0
97.06493	2.6
97.10143	7.5
100.11240	3.8
105.06327	4.4
105.07015	67.5
107.08578	79.7
109.06506	5.7
109.10135	60.4
111.08070	5.6
111.11687	2.5
113.09615	2.6
115.05421	2.7
117.06992	10.3
119.08561	93.6
119.09413	4.5
121.06474	5.3
121.10130	56.5
123.08047	6.1
123.11696	27.9
123.73117	2.6
125.09583	3.2
129.06979	8.9
131.08551	37.7
133.10106	82.5
135.08023	6.9
135.11673	28.4
137.13220	6.3
142.07747	5.2
143.08531	21.0
144.09331	3.0
145.10103	71.3
147.08054	6.0
147.11655	35.3
149.09540	2.7
149.13225	25.4
155.08572	7.3
156.09384	5.3
157.10110	31.0
158.10893	2.8
159.08015	3.0
159.11670	49.7
161.09601	6.4
161.13223	32.9
163.07544	2.3
163.11209	4.0
163.14796	21.4
169.10152	10.8
170.10875	2.9
171.11668	22.4
173.13249	38.9
175.11255	4.2
175.14799	43.7
177.16350	20.4
179.14297	5.9
183.11685	12.5
184.12346	2.8
185.13255	19.1
186.13589	2.3
187.11198	4.4
187.14810	34.1
187.49991	2.7
189.12659	2.6
189.16347	43.0
191.14278	3.9
191.17838	7.2
197.13206	10.2
199.14774	23.0
201.05435	2.8
201.16362	56.1
203.14384	3.6
203.17879	11.2
205.15886	9.7
207.17435	3.5
209.13274	5.6
211.14900	12.2
213.16325	34.3
215.17912	23.9
217.15846	9.5
217.19379	2.7
219.13733	2.5
219.17400	10.4
223.14871	4.2
225.16367	7.4
227.17885	17.5
229.15826	3.6
229.19446	11.5
231.17416	6.9
233.15266	2.6
237.16394	3.9
239.17924	11.4
241.19485	11.9
243.17422	4.2
243.21068	8.0
245.15370	3.5
245.18971	4.9
247.16983	11.6
251.17914	4.4
253.19502	7.2
255.21034	4.6
257.18982	6.5
259.16971	7.6
261.18579	5.5
265.19461	3.5
267.21039	19.7
269.22644	9.6
271.20459	2.6
273.18423	7.9
275.19949	3.6
279.20978	6.1
281.22525	5.4
283.20480	3.2
285.18533	4.0
285.21948	6.0
293.22482	7.0
297.22488	2.4
299.20004	5.9
303.19431	6.2
305.22653	2.9
311.23630	11.5
313.21558	3.3
325.21552	4.9
333.25714	3.6
341.24994	2.9
353.24387	2.7
363.30325	6.7
389.32022	31.5
407.33054	72.5
408.33521	6.3
425.34036	3.9
431.72116	2.7
435.32565	72.5
436.32819	4.9
453.15601	12.0
453.33725	65.1
454.15457	4.7
454.33752	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	453.3359
Annotation	Stellettin J
Peak:m/z	Relative Intensity
51.47333	2.6
53.03941	6.3
55.01868	6.1
55.05502	34.2
57.07071	6.7
57.85532	3.1
63.16792	2.6
65.03931	3.4
65.32693	2.9
67.05495	52.4
69.03412	8.5
69.07066	33.2
70.06567	8.4
70.82317	10.6
71.04973	3.7
79.05476	33.6
81.03397	11.5
81.07050	76.3
83.04968	38.7
83.08605	14.2
85.02888	7.3
85.06553	4.0
91.05463	36.1
93.07037	67.6
94.07380	3.6
95.04969	20.6
95.08595	91.2
97.02857	5.4
97.06532	7.9
97.10148	8.5
99.08084	5.4
100.11237	4.3
105.06329	6.7
105.07009	84.8
107.08580	83.0
108.08916	5.7
109.02837	4.5
109.06487	12.9
109.10149	65.7
111.08070	7.7
112.08619	4.3
117.06998	14.1
119.08562	100.0
120.08835	4.4
121.06499	6.4
121.10126	56.8
122.10475	4.2
123.08040	11.5
123.11681	20.9
125.09624	7.8
127.03949	3.8
128.06187	5.1
129.07025	7.5
131.08551	37.5
133.10107	65.9
133.11028	5.8
135.08066	8.0
135.11678	36.3
137.05940	5.0
137.09612	3.6
142.07761	4.4
143.08510	18.5
144.09354	3.2
145.06561	3.4
145.10120	56.9
147.08015	3.8
147.11664	48.6
148.12035	3.8
149.09605	8.9
149.13242	19.0
151.11134	7.2
153.09047	3.8
155.08519	7.0
157.10097	24.8
158.10788	4.0
159.08070	5.6
159.11671	62.2
161.09581	7.3
161.13275	39.1
163.03856	9.1
163.11163	12.0
163.14832	16.3
165.09129	4.9
169.10056	7.4
171.11620	23.4
172.10768	4.2
172.12184	4.3
173.09560	4.1
173.13246	37.1
175.11203	8.4
175.14844	31.0
177.05573	4.4
177.09003	3.5
177.12749	7.9
177.16368	15.7
181.09956	3.4
183.11691	8.7
184.12421	4.8
185.13243	11.9
187.11166	4.8
187.14790	35.7
189.12785	6.9
189.16379	51.3
191.14192	5.8
191.17900	11.5
192.38577	3.5
193.15923	3.7
195.11690	5.9
197.13216	8.9
199.14861	17.7
201.12764	3.0
201.16360	49.0
202.16716	5.5
203.14357	5.8
203.17992	25.9
205.15811	25.4
206.16075	3.9
209.13223	6.4
211.14783	7.0
213.16353	20.3
215.14337	4.1
215.17920	19.1
217.15898	11.8
219.17482	8.7
223.14671	3.8
227.17981	9.0
229.12149	3.6
229.19458	6.8
231.17377	5.3
233.15489	4.5
233.19026	4.6
235.16910	5.5
239.17896	9.7
241.19484	9.7
243.21175	4.6
247.16966	8.5
249.18445	5.0
251.17850	4.1
253.19461	5.6
255.17322	3.3
255.20978	4.5
259.20645	3.2
261.18552	4.7
267.21011	6.5
269.22580	4.6
275.19775	3.8
293.22714	4.6
301.21976	3.9
313.21176	4.6
315.23010	3.2
389.31870	6.4
395.28915	6.0
407.33286	37.9
435.33002	20.1
453.34265	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	17.3
57.07061	5.7
64.18716	2.5
67.05486	12.2
69.07062	22.5
69.44504	24.2
79.05482	13.8
81.07037	28.5
83.08612	11.7
87.21670	2.7
91.05447	19.7
93.07030	39.6
95.04990	2.9
95.08591	58.0
97.10140	4.4
98.20734	6.7
99.08111	3.7
102.59510	2.9
105.07021	49.1
107.08581	64.4
109.10145	27.7
111.08015	3.4
117.07010	11.9
119.08563	100.0
121.10118	46.2
123.08028	3.0
123.11701	8.7
128.81836	3.5
129.06960	4.0
130.07793	3.9
131.08543	34.2
133.10107	62.0
135.08057	3.0
135.11681	29.7
143.08514	6.6
144.09331	4.5
145.10109	74.4
147.11661	34.3
149.13228	15.6
153.09074	3.2
156.09467	3.4
157.10153	16.4
158.10867	6.2
159.11694	60.0
161.13234	26.4
163.11153	15.0
163.14836	13.5
169.10104	4.7
171.11662	17.4
172.30011	3.1
173.13249	31.9
175.14822	29.6
177.12773	4.3
177.16367	27.0
183.11646	5.5
185.13248	13.2
187.14793	71.9
189.16345	65.9
197.13345	5.1
199.14832	12.9
201.16360	97.0
203.17902	20.3
205.15851	80.7
206.16168	5.0
207.17474	10.2
211.14819	6.5
213.16318	21.5
215.17999	9.4
217.15924	6.7
219.17377	8.1
223.17052	5.1
227.17943	7.4
229.15886	3.4
231.17543	3.8
243.21086	3.8
247.16835	18.6
295.24261	3.7
338.65234	2.9
365.90466	3.2
389.32169	6.8
391.33649	3.7
407.33084	55.7
408.33267	5.0
409.34436	4.8
435.32632	25.2
453.27734	3.8
453.33609	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17002	2.9
55.05500	19.4
57.07052	4.4
61.90702	2.9
65.03912	3.5
67.05486	20.5
69.07047	13.2
69.66209	7.0
69.66615	18.5
73.23512	3.0
77.99574	3.0
79.05485	13.9
81.07050	52.4
83.04960	16.9
83.08604	10.8
91.05461	23.4
93.07026	43.5
95.04968	6.8
95.08587	71.3
97.10116	4.4
98.21454	6.8
105.07012	68.8
107.08572	75.2
107.09247	5.9
108.77387	3.2
109.06508	7.1
109.10143	46.0
111.08110	4.9
117.07013	3.7
117.08761	3.7
119.07729	6.7
119.08564	100.0
120.00397	3.4
121.10126	55.4
123.07999	4.5
123.11693	25.1
125.09621	9.0
129.07008	5.8
131.08533	29.8
133.10104	69.4
135.11646	26.1
137.13213	4.8
143.08519	10.1
144.09325	3.6
145.10095	61.4
146.10429	3.9
147.11678	31.1
149.13245	14.6
151.11145	6.7
153.08992	3.5
155.08479	4.0
157.10107	17.4
159.11676	45.1
161.09567	3.7
161.13254	24.5
163.14821	11.4
169.10016	4.0
171.11676	14.6
173.13214	29.2
175.14807	29.7
177.16394	18.0
185.13194	11.6
187.14793	56.7
189.16367	46.2
191.14305	15.5
191.17917	21.1
197.13326	4.3
199.14719	17.1
201.16367	66.6
203.14247	5.8
203.17915	17.5
205.15875	37.5
211.14847	4.1
213.16338	26.6
215.17979	20.5
217.15851	10.4
217.19518	8.5
219.17398	39.4
225.16373	4.5
227.17918	7.0
229.15932	5.1
233.19002	9.3
235.16985	11.3
239.17928	3.7
241.19545	7.5
242.29703	3.5
247.16943	12.7
249.18481	3.6
261.18481	6.7
267.21021	9.9
288.81229	3.0
311.23697	6.4
389.32092	14.6
407.33044	58.3
435.32239	17.4
453.33728	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	453.3359
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05502	21.9
57.07051	7.0
65.03906	2.8
67.05497	24.8
69.03414	2.7
69.07056	17.5
78.82379	2.6
79.05471	20.0
81.07043	52.2
83.04967	52.2
83.08599	13.3
91.05453	29.4
93.07030	58.6
95.04961	15.8
95.08588	100.0
97.06519	4.2
97.10140	6.7
100.84538	2.6
105.07006	66.1
106.07363	3.1
107.08576	88.7
108.08907	3.6
109.06492	10.9
109.10137	47.5
111.08038	5.4
117.06991	8.5
119.07725	6.0
119.08560	90.6
121.06480	3.7
121.09258	4.3
121.10123	64.5
123.08029	8.6
123.11712	16.4
125.09619	7.3
129.06969	7.4
131.08533	30.5
133.10101	62.4
135.08028	4.1
135.11670	34.8
137.09619	2.8
137.13223	6.9
142.07767	5.1
143.08522	7.2
145.10104	46.3
146.10779	2.6
147.11668	57.5
149.09592	5.3
149.13269	22.1
151.11107	3.0
153.09099	7.2
157.10107	12.3
159.11665	45.6
161.09644	3.6
161.13251	40.6
163.07455	3.8
163.11140	7.2
163.14780	15.7
167.10724	3.6
167.31708	3.0
169.10129	4.7
170.10858	3.8
171.11682	14.8
173.13245	26.7
175.11209	5.5
175.14799	31.0
177.12727	4.5
177.16374	25.8
183.11557	3.3
185.13220	7.7
187.14783	36.1
188.88464	2.8
189.16374	43.2
191.17957	14.7
197.13264	4.5
199.14801	18.4
201.16338	56.8
202.16756	5.0
203.14340	5.2
203.17938	54.8
205.15834	56.7
205.19455	10.4
206.16125	3.2
207.17343	4.2
211.14803	9.7
213.16347	16.8
215.17905	21.8
217.15822	10.6
217.19478	5.2
219.17398	8.8
221.18938	4.1
225.16318	4.5
227.17801	6.5
229.15900	4.4
229.19545	4.3
229.71887	2.9
231.17381	7.4
235.16829	6.9
239.18024	4.2
241.19580	5.3
243.21094	4.8
247.16922	14.7
249.18443	10.2
257.15512	3.2
261.18512	10.1
267.20837	4.3
275.16333	5.5
301.21463	2.8
311.23676	6.0
353.24796	3.0
357.27844	4.3
389.32068	13.6
395.29352	4.8
407.33011	47.8
423.32477	4.9
435.32611	17.0
441.93649	3.0
453.33704	63.6
454.33887	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	453.3357
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03936	2.7
55.05505	12.9
56.29774	2.4
57.07062	3.8
65.84625	2.4
67.05497	14.5
69.07052	16.2
69.66280	2.3
69.72173	2.8
70.03020	12.6
70.03434	4.0
70.33067	2.6
71.69393	2.7
77.51398	2.3
79.05481	9.2
79.18385	2.5
81.07045	34.6
83.08595	12.3
91.05462	23.9
93.07035	38.8
95.08596	57.5
97.10103	2.3
98.20758	2.6
99.08074	5.4
105.07017	46.0
107.08584	57.3
109.10145	27.7
111.08050	4.6
115.05518	3.3
117.07009	10.7
119.08563	80.9
120.94862	2.6
121.10127	53.4
123.11683	10.2
125.70182	2.5
128.06221	2.7
131.08549	37.5
133.10107	56.9
135.08070	4.7
135.11662	31.1
137.09618	3.4
137.13260	5.0
137.93404	2.6
142.07800	3.0
143.08562	7.8
145.10103	67.8
147.11670	39.8
149.13258	17.8
151.11160	3.3
151.14951	2.5
153.09058	2.8
157.10112	12.4
158.10881	3.8
159.11688	47.9
161.13239	21.4
163.11163	15.3
163.14801	12.9
169.09947	3.2
171.11632	13.1
173.13229	24.9
175.11234	6.5
175.14793	40.6
177.12695	5.1
177.16386	23.9
183.11583	3.0
185.13235	10.0
186.14069	3.3
187.14799	49.4
189.16348	69.4
190.13496	7.1
191.17880	13.8
197.13324	3.0
198.14035	2.6
199.14755	13.5
201.16360	100.0
203.14365	3.1
203.17932	39.8
205.15857	90.2
207.17464	6.0
211.14769	5.0
213.16312	13.2
215.14296	3.3
215.17883	13.6
217.15862	8.6
217.19490	5.4
219.17368	6.9
225.16365	4.2
229.15767	3.3
231.17439	4.7
237.16316	3.6
241.19565	4.4
243.21085	4.6
247.16992	6.6
347.27124	4.1
363.85168	2.9
389.31912	6.0
392.30704	2.9
407.33060	52.7
408.32959	3.5
409.34402	4.4
423.32675	3.1
427.83536	3.2
435.32578	18.5
453.27737	3.5
453.33655	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3354
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05502	22.7
57.07067	5.4
58.23498	1.8
64.47190	2.2
67.05495	21.3
69.07056	20.4
69.60483	4.8
69.60892	15.9
71.04973	2.6
71.32099	2.1
71.62955	2.1
79.05477	19.8
81.07046	40.9
83.08595	18.1
85.06533	3.8
91.05453	26.5
93.07030	50.4
95.04937	3.5
95.08588	70.9
97.10191	4.9
99.08089	11.7
105.07017	60.3
107.08572	71.4
109.06512	5.5
109.10146	34.1
111.08057	3.4
117.07005	13.5
119.08558	100.0
121.10128	49.1
123.08069	4.5
123.11688	18.3
128.06262	3.0
129.06989	3.9
130.07837	3.4
131.08545	36.2
133.10104	53.8
135.11681	42.6
137.13237	6.5
142.07794	2.5
143.08533	17.8
144.09340	5.4
145.08968	4.5
145.10103	75.9
147.11664	47.2
149.13245	19.6
151.07559	2.6
151.14734	2.4
153.09062	3.2
155.08551	5.5
156.09402	3.7
157.10094	31.1
158.10866	4.5
159.11676	61.1
161.09512	2.6
161.13235	28.0
163.07550	5.7
163.14763	11.1
169.10124	9.2
170.10851	5.3
171.11691	17.1
172.12463	2.6
173.13220	27.4
175.14799	34.7
177.12790	3.4
177.16359	15.0
181.10078	2.7
183.11690	9.6
184.12355	2.8
185.13249	23.7
187.14795	48.0
188.15251	3.0
189.16345	41.3
191.14410	2.4
191.17892	16.4
195.11703	3.4
197.13281	6.5
199.14812	27.1
199.88142	2.1
201.16365	87.8
203.14288	12.1
203.17928	39.2
205.12247	2.8
205.15755	11.9
207.17342	3.4
209.13269	5.2
211.14764	14.0
213.16348	21.3
215.17894	19.7
217.15846	5.3
217.19502	5.8
219.13808	3.0
219.17406	4.8
225.16357	4.6
227.17915	8.2
229.19548	6.0
231.17490	5.7
233.15337	7.3
237.16318	3.3
239.17929	8.9
241.19511	5.2
243.21120	2.2
245.15436	4.1
247.17050	4.8
249.14897	7.9
251.18040	4.7
253.19583	6.9
255.21138	2.3
259.16812	2.8
263.16257	4.4
265.19409	4.5
267.21054	8.6
277.19507	2.3
279.20877	2.2
285.21759	2.9
297.22116	2.6
299.20084	4.9
335.27396	6.9
379.26196	3.2
389.32043	12.6
391.33969	4.7
400.59937	3.0
407.33081	43.6
408.33597	2.7
409.30923	5.8
435.32608	41.6
436.32867	4.0
453.33612	97.6
454.33939	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	453.336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
55.05497	14.9
57.07052	6.0
62.90499	4.1
67.05496	30.1
69.07052	17.0
69.89613	8.0
69.90016	15.3
73.91973	2.9
79.05480	28.2
81.07041	49.2
83.04961	22.3
83.08588	7.8
91.05473	31.0
93.07030	52.2
95.04947	15.2
95.08592	77.3
95.59330	4.1
97.06497	3.5
97.10171	5.5
99.08057	3.5
100.71014	3.1
105.07015	75.2
107.08581	72.4
109.06485	8.0
109.10135	50.3
111.08080	6.4
117.06996	13.2
118.65308	3.2
119.08574	100.0
121.10130	61.6
123.08054	5.5
123.11691	24.6
125.09620	7.7
129.07068	3.9
130.07706	3.4
131.08557	38.0
133.10110	64.4
135.11678	31.1
137.09596	5.1
143.08527	16.9
144.09390	3.6
144.51112	3.1
145.10097	72.1
146.10765	3.2
147.11668	40.6
149.09636	6.1
149.13231	18.5
151.11069	6.5
153.09099	4.4
157.10098	19.4
159.11685	62.8
161.13219	34.2
163.14839	18.6
171.11655	14.9
173.13239	37.2
175.14769	33.1
177.12679	5.2
177.16357	24.5
183.11705	5.0
185.13223	7.6
187.14807	49.4
189.16371	69.5
191.14278	12.2
191.17957	18.0
193.15904	3.8
199.14774	16.6
201.16339	71.3
203.14294	6.1
203.17863	27.9
205.15826	38.3
207.17340	5.9
210.18539	5.2
211.14818	4.3
213.16405	28.9
215.17929	28.0
217.15855	8.8
217.19414	8.1
219.17444	40.1
223.14954	4.2
227.17961	6.9
229.19441	3.6
231.17404	5.3
233.18974	4.4
235.16910	16.4
241.19443	6.5
243.21198	3.9
245.18919	5.5
247.16916	9.9
253.19676	4.3
255.21132	7.3
261.18384	11.2
267.21136	8.3
283.20642	3.6
341.24472	4.3
389.31821	14.9
407.32977	60.3
408.33392	3.2
429.65869	4.2
435.32529	13.3
453.33694	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.05508	19.8
57.03383	3.5
67.05502	21.7
67.35426	3.0
69.07056	18.0
70.02808	20.6
79.05486	22.4
81.07049	48.2
83.04970	100.0
83.08620	10.4
91.05471	20.5
93.07036	55.3
95.04947	23.4
95.08601	87.0
97.10202	4.9
105.07013	64.3
107.08578	71.6
109.06522	13.3
109.10143	49.8
111.08060	3.6
117.07079	7.5
119.08569	81.5
121.10132	53.5
123.08058	15.6
123.11697	19.3
125.09624	9.2
129.06993	5.7
131.08539	28.8
133.10117	53.3
135.11682	31.1
136.84497	3.2
137.13330	3.8
141.06873	3.8
143.08545	10.9
144.09340	4.7
145.10110	52.9
147.11667	55.9
149.09608	4.5
149.13266	23.0
151.11234	3.6
153.09030	5.3
157.10121	10.7
158.10849	3.6
159.11676	64.9
161.13235	62.7
163.11159	5.6
163.14795	23.6
171.11646	10.2
173.13222	23.1
175.14793	29.9
177.16393	19.8
185.13225	4.3
187.14807	40.4
189.16354	73.4
191.17973	15.2
197.13254	3.8
199.14804	10.0
201.16367	75.6
202.16521	3.9
203.14178	3.5
203.17935	45.3
205.15942	17.1
205.19791	4.8
207.17409	3.6
213.16396	20.9
215.17953	27.4
217.15874	23.7
219.17430	19.3
229.19551	5.6
231.17532	8.5
233.15482	3.3
235.16927	11.4
239.17889	3.6
241.19475	4.7
247.16989	12.9
255.21002	5.3
259.20578	4.3
261.18515	18.9
312.95206	3.6
349.28891	10.9
357.28009	6.8
389.32172	10.9
395.29370	11.4
407.32913	41.3
407.37433	4.2
435.32437	14.3
453.33627	55.5
471.66006	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.05498	20.6
56.95403	1.8
57.07069	6.2
65.03933	3.3
67.05498	27.4
69.07059	23.0
69.49315	6.6
69.49735	10.5
69.77606	1.6
71.04966	3.6
74.60826	1.9
79.05482	24.8
81.03400	2.1
81.07045	47.6
83.04995	9.6
83.08611	16.1
85.06561	3.6
91.05464	28.0
93.06543	1.0
93.07032	49.8
95.04970	6.8
95.08597	71.6
96.08949	1.8
97.06516	3.7
97.10147	3.5
99.08048	8.8
103.05486	2.0
105.07016	60.3
107.08582	86.1
109.06522	4.5
109.10146	42.3
111.08085	4.9
114.03001	1.9
115.05476	2.8
117.07008	12.5
119.08565	93.3
120.08879	2.3
121.06545	2.5
121.10129	63.3
121.10970	3.7
123.08077	7.2
123.11703	22.1
125.09618	3.0
129.07028	6.8
130.07790	4.1
131.08551	40.9
133.10117	62.4
134.10408	2.2
135.08075	5.0
135.11678	41.7
137.09642	3.9
137.13225	8.2
141.07042	3.1
142.07790	2.2
143.08534	15.7
144.09334	4.4
145.10114	74.0
146.10686	2.1
147.11670	45.4
149.09599	2.7
149.13226	21.5
151.07564	1.8
151.11206	2.9
153.09073	3.3
155.08621	2.6
156.09288	4.1
157.10107	18.5
158.10893	6.3
159.11682	62.7
160.12030	3.5
161.09634	2.5
161.13246	27.4
163.11191	10.9
163.14809	13.3
165.12801	2.6
169.10136	11.9
170.10867	2.6
171.03554	1.9
171.11678	22.3
173.09645	3.3
173.13226	35.7
175.11223	3.2
175.14801	45.5
177.09212	2.1
177.12811	8.1
177.16356	35.2
183.10304	1.8
183.11691	9.1
185.13245	17.7
186.14056	2.5
187.14786	45.2
189.12787	3.2
189.16365	55.1
189.18008	3.1
190.16739	3.8
191.14334	2.3
191.17958	12.2
193.15921	2.3
195.11710	2.8
197.13300	9.8
199.14780	21.8
200.15312	2.9
201.16373	100.0
203.14357	7.3
203.17928	28.8
205.15863	85.5
206.16278	2.6
207.17461	3.2
209.13272	5.4
211.14812	22.3
213.16376	21.3
215.14566	2.2
215.17960	16.4
217.15955	7.6
217.19646	4.9
219.17513	7.4
221.15379	2.9
225.16458	4.2
227.17892	10.6
229.15930	4.6
229.19498	5.5
231.17542	4.6
233.15305	2.7
233.18968	2.6
235.14867	2.0
235.16946	3.7
237.16373	3.2
239.18024	7.7
241.19612	4.4
243.21199	3.6
245.15314	2.3
247.17001	7.4
249.18666	2.7
251.18167	2.5
253.19499	3.9
255.21141	3.0
257.18961	2.3
259.17017	4.8
265.19513	3.5
267.21243	6.3
269.22775	3.2
285.22076	3.4
287.20190	4.1
311.23737	2.8
335.27496	4.2
365.28561	2.3
389.32050	12.5
407.33057	62.5
408.33420	3.2
409.34732	3.5
423.32748	3.9
425.34277	1.8
435.32730	25.9
436.33362	1.9
453.33804	63.5
454.34338	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.336
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03936	3.1
55.05504	11.6
57.07060	4.1
67.05504	16.9
69.03438	2.0
69.07060	15.9
69.76843	12.2
79.05476	14.9
81.07047	28.7
83.04990	2.5
83.08615	9.2
85.06543	3.1
91.05467	20.0
93.07031	39.3
95.04993	2.6
95.08598	46.0
97.10171	3.4
98.21423	3.2
99.08096	6.5
105.07021	47.2
105.07714	2.3
107.08580	54.2
108.08941	1.6
109.10153	28.5
111.08070	3.2
117.07026	8.7
119.08569	100.0
120.08920	2.0
121.10128	44.9
121.10950	2.7
123.08078	3.7
123.11678	10.7
125.09676	1.9
129.07005	4.7
131.08553	28.0
132.08992	1.6
133.10118	63.7
134.10541	2.5
135.08101	3.5
135.11688	24.5
137.09618	3.0
137.13240	2.7
142.07761	1.8
143.08553	9.8
144.09291	3.9
145.10114	68.2
147.11676	44.4
149.09583	2.5
149.13214	10.4
151.11234	4.2
153.06686	1.6
153.09122	2.5
155.08444	1.9
156.09328	4.1
157.10103	14.3
158.10956	3.4
159.11673	65.7
161.09625	2.9
161.13235	20.3
163.03951	2.2
163.11180	12.7
163.14813	10.4
165.06903	1.6
169.10075	3.1
170.10947	2.2
171.11661	14.2
172.12427	4.9
173.13243	27.0
175.11241	2.8
175.14804	18.8
177.12794	3.6
177.16333	18.9
179.14383	1.9
183.11726	6.6
185.13232	11.9
186.14082	1.9
187.14798	68.1
188.15250	3.3
189.16364	61.7
191.10802	2.1
191.17995	4.7
195.13901	3.1
197.13315	4.5
199.14824	9.3
201.16367	70.6
203.14450	2.7
203.17972	15.2
203.38127	1.7
205.15842	48.9
207.17465	7.7
211.14891	3.6
213.16359	27.6
214.17073	2.0
215.14447	1.6
215.17892	13.4
217.15945	2.4
217.19604	3.6
219.17436	8.6
225.16440	2.8
227.17908	9.0
229.15952	2.2
229.19606	3.8
231.17543	5.0
233.18941	2.1
235.17099	1.9
239.17854	2.2
241.19611	2.6
245.18948	2.0
247.16986	7.9
251.17989	2.3
253.19325	2.2
267.21213	2.2
389.32211	4.4
407.33142	35.6
407.38184	3.0
408.33820	2.2
409.34821	2.3
417.31616	1.9
425.34357	3.2
435.32495	13.4
453.33801	52.8
454.33752	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3354
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03936	3.0
54.44644	2.1
55.01828	2.8
55.05494	16.1
57.07045	4.1
65.03904	2.6
67.05482	21.1
69.03407	6.0
69.07053	21.5
71.15848	6.8
75.36770	2.0
79.05475	24.1
81.03394	4.9
81.07047	36.9
83.04962	3.1
83.08611	15.4
85.02876	4.2
85.06525	5.8
91.05452	22.8
93.07021	45.2
93.14176	2.2
95.04914	5.3
95.08585	60.5
97.06487	5.4
97.10165	4.9
99.08092	12.8
100.11214	3.7
103.05492	3.2
105.07010	48.4
107.08570	70.9
109.02862	3.6
109.06478	5.3
109.10126	31.3
111.04421	2.7
111.08043	5.1
117.06999	11.4
119.07740	5.5
119.08556	100.0
121.06526	2.9
121.10118	54.1
123.04472	2.6
123.08028	4.9
123.11683	15.4
125.09561	3.1
127.03882	4.9
127.11104	3.0
128.06143	2.7
129.06987	4.5
131.08534	39.0
133.10117	63.2
135.07993	7.0
135.11658	27.3
137.09566	4.1
137.13216	5.2
143.08595	13.3
144.09245	4.1
145.02760	4.3
145.10094	79.7
146.10506	3.3
147.04398	7.8
147.11661	49.7
149.09589	4.4
149.13257	16.2
151.07484	3.3
151.11151	3.6
153.09085	4.7
155.08484	4.2
156.09299	2.8
157.10112	20.8
158.10867	4.2
159.11662	61.4
161.09589	4.9
161.13208	21.8
163.03844	7.4
163.07446	3.8
163.11197	12.5
163.14778	14.0
169.10106	6.6
169.84766	2.6
170.10890	6.7
171.11668	19.3
172.12358	5.3
173.09521	3.8
173.13235	36.4
174.13857	2.6
175.11147	2.9
175.14804	31.0
177.05437	4.3
177.12682	5.9
177.16383	23.3
179.10648	2.7
181.10118	2.5
181.12050	2.8
183.11597	11.0
185.13199	18.6
187.14780	61.0
188.15218	4.1
189.16354	79.0
191.14279	5.6
191.17903	7.0
193.12190	2.6
195.11734	4.1
197.13234	8.4
199.14755	25.0
201.16357	98.9
203.14247	6.0
203.17949	16.2
205.15848	69.3
205.19768	2.4
207.17404	8.3
209.13214	4.2
211.14763	10.6
211.16925	2.5
213.16324	27.2
215.17912	13.1
217.15804	3.9
217.19586	2.8
219.17418	6.6
223.14836	3.7
225.16360	7.6
227.17885	9.6
229.15932	3.4
229.19359	4.0
231.17468	5.8
233.18823	2.9
239.18098	3.1
241.19392	3.3
245.15454	2.5
247.16826	12.4
253.19527	3.4
267.20929	4.4
273.18552	4.3
283.20712	2.5
293.22714	2.5
335.27045	3.0
389.32138	6.5
407.33041	56.2
409.34122	3.5
435.32700	26.4
453.33740	68.6
454.33554	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	454.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49985	5.2
53.03942	10.8
55.01859	22.8
55.05499	17.9
56.05030	5.5
56.96554	44.6
57.03431	25.2
57.36380	4.9
58.06580	6.7
60.04503	11.7
61.02924	28.3
65.03927	13.6
67.05501	26.8
69.03422	79.5
70.06573	15.1
71.01339	11.2
71.04964	16.1
71.69553	10.2
72.04517	19.9
73.02900	35.1
73.06531	15.8
74.06068	19.0
79.05486	43.4
80.05825	9.2
81.03410	63.6
81.07046	34.1
83.01358	6.8
83.05005	28.7
84.04474	12.6
84.08107	11.3
84.96004	15.5
85.02892	96.5
86.03241	7.9
86.06062	23.1
87.04465	20.2
91.03939	9.9
91.05465	46.6
92.03460	8.2
93.07048	9.2
94.06550	8.7
95.04948	49.4
95.08615	7.1
97.02883	65.5
97.06514	11.1
98.06036	9.7
98.97559	100.0
98.98151	8.8
99.04449	13.2
107.04938	37.4
108.08083	6.5
109.02870	23.1
109.06483	18.8
110.06029	11.1
110.97595	11.0
111.04410	33.3
112.07549	5.6
114.05534	5.9
114.09139	5.5
115.03920	8.0
116.98592	68.5
117.98995	6.4
119.01820	13.3
119.04919	16.3
121.06495	17.6
122.05972	10.7
123.04427	55.2
123.08030	6.6
124.03952	6.5
125.05920	7.7
126.05476	7.4
127.03884	33.8
128.02267	7.8
128.98611	29.5
129.05469	6.0
131.00177	6.5
131.01884	8.8
131.04875	15.5
132.10228	10.6
134.99628	25.1
135.04401	16.6
136.07497	8.0
137.05951	25.1
140.07068	5.9
143.00211	12.1
143.01863	6.8
145.03569	7.1
145.04935	17.9
146.99631	14.8
147.04399	23.7
148.07487	6.0
149.01161	7.6
149.05968	16.1
150.09192	8.5
151.07523	6.4
152.07054	7.6
153.05423	6.7
155.01772	7.0
155.02895	7.6
155.04633	52.8
155.54842	31.0
158.99641	48.7
161.01237	11.9
161.02913	24.6
163.02710	9.1
164.05130	19.0
164.06993	10.7
164.55312	10.2
165.00626	7.8
165.05515	15.6
166.08510	6.4
166.55423	12.1
167.07040	18.4
169.03419	5.8
170.99594	7.6
173.01343	6.4
173.02821	12.7
175.56012	6.5
177.00682	56.7
178.08649	8.4
179.02074	6.6
182.03377	11.9
182.53499	7.3
183.06532	16.3
185.91147	6.9
189.00768	18.0
189.02589	5.6
189.04272	8.6
191.03856	15.2
195.01709	8.6
196.09691	9.7
198.07707	10.0
200.04437	8.1
201.00743	11.0
201.20464	6.0
204.08664	14.7
206.06396	5.7
206.11868	12.6
211.04546	7.0
219.01782	30.4
221.05119	11.7
222.05186	7.8
222.09593	11.0
227.06763	15.5
227.56911	16.6
236.07262	17.2
236.57451	8.1
237.02745	49.0
237.07590	6.0
238.03308	6.0
238.07498	8.5
240.08694	6.8
242.10197	25.0
245.04878	9.6
256.08102	6.5
261.02716	6.3
272.06671	30.8
272.10184	52.1
272.56812	20.0
272.60339	85.2
273.06540	12.3
273.10434	15.4
274.06265	8.0
274.09122	23.5
274.12695	9.8
279.03922	12.8
282.06741	10.7
291.07483	19.0
292.07581	12.9
309.08459	59.5
310.08832	22.9
317.50778	6.0
321.04816	11.6
327.09897	6.4
332.10199	11.4
351.09567	24.5
352.09802	9.8
410.17993	22.3
454.14542	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	454.2922
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
52.73538	0.7
55.05504	2.4
57.03428	4.8
57.06805	1.6
57.07070	25.5
62.06079	25.7
67.05493	6.3
69.07047	3.1
70.31924	3.3
71.08620	16.0
81.07048	7.6
83.08615	5.2
85.10172	6.8
89.06020	1.1
93.07034	1.5
95.08604	9.2
97.10152	2.7
98.21353	0.9
98.98475	5.6
107.08566	2.1
109.10168	4.2
109.87260	0.7
111.08053	1.1
119.08557	2.6
120.08924	0.9
121.10171	1.0
123.11684	1.7
124.01582	1.3
131.08614	0.8
137.13252	0.7
142.02672	0.8
145.10132	1.2
155.01045	6.1
161.13269	1.1
168.53119	0.7
173.02037	1.0
173.13184	1.2
175.14804	0.9
198.05264	1.5
201.16296	0.8
203.17947	0.8
204.18433	0.8
216.06355	2.0
234.82993	0.8
239.23723	1.5
257.24969	0.8
265.01123	0.7
282.27826	14.5
313.27325	100.0
314.27823	2.4
393.23956	4.9
408.33401	1.3
436.27817	1.7
436.33112	1.4
454.34030	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38367	1.0
53.67046	0.8
70.20142	3.5
80.98844	0.8
87.06865	0.8
97.04595	0.9
107.96900	1.1
112.89598	12.1
122.23765	1.0
301.73010	1.1
308.69681	1.1
337.25037	1.0
415.93015	1.1
455.11584	100.0
456.11975	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	455.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01856	0.9
55.05505	2.7
56.96546	0.5
57.03438	3.9
57.07063	0.9
59.04984	1.9
60.68383	0.4
61.02909	0.6
65.03931	0.8
67.05498	2.4
69.03423	4.0
69.07070	2.3
70.62883	1.6
71.01344	0.9
71.04985	23.7
75.04471	1.5
75.35334	0.5
79.05490	2.8
81.03410	2.8
81.07046	4.5
83.04983	3.8
83.08605	1.4
85.02898	30.4
85.06539	0.7
87.04444	0.9
91.05471	11.0
93.07040	4.5
95.04942	1.8
95.08602	4.1
97.02895	3.2
97.06525	1.3
97.10104	0.6
99.04433	1.5
99.08081	1.5
105.07016	4.7
106.66809	0.4
107.04961	3.4
107.08575	4.9
108.08887	0.9
108.84367	0.5
109.02850	1.6
109.06453	0.5
109.10155	2.9
111.04423	2.1
111.08113	0.6
112.40923	0.5
115.11219	1.0
117.07016	1.1
119.04932	20.2
119.08566	6.1
120.05238	0.5
120.08873	0.8
121.06487	1.0
121.10105	3.4
123.04411	0.9
123.08099	0.8
123.11704	1.6
125.09592	0.7
127.03922	2.4
129.05478	7.3
129.06979	0.8
131.08539	3.8
133.06566	0.6
133.10123	4.2
134.10437	0.7
135.08025	0.9
135.11671	2.1
137.09569	1.0
137.13226	0.6
143.08533	1.5
145.02776	0.5
145.04930	0.5
145.06467	0.5
145.10110	4.7
146.10483	1.2
147.04395	100.0
147.11699	2.9
148.04720	2.1
149.05974	0.6
149.09567	1.0
149.13229	1.3
151.07538	0.5
155.08513	0.8
157.10098	1.8
159.08067	0.5
159.11703	4.0
160.12042	0.8
161.09608	0.9
161.13293	1.0
163.03867	1.5
163.11162	0.6
163.14781	0.6
165.05458	1.6
165.09300	0.5
169.10103	1.1
170.10948	0.6
171.11700	1.9
173.09615	0.8
173.13248	2.1
175.11195	0.8
175.14815	1.8
177.16386	1.1
181.04936	0.6
182.15387	1.2
183.11676	1.2
183.15662	1.0
185.13232	1.9
187.14848	2.4
188.15083	0.5
189.12778	1.0
189.16417	1.7
190.16745	0.7
191.14291	0.6
191.16386	0.7
195.11655	0.7
197.13261	0.7
199.14801	1.3
201.12784	0.9
201.16376	2.0
202.16753	1.2
203.14310	0.8
203.18044	0.6
205.15871	2.2
210.14862	0.9
211.15013	0.9
213.16341	1.0
215.17946	0.6
217.15800	0.5
221.15283	0.5
237.07558	0.5
247.61104	0.5
257.08063	0.7
275.20084	0.5
291.08685	1.7
309.09695	3.7
409.30566	0.8
437.30115	1.2
454.34048	1.2
455.15891	0.9
455.31406	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	455.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77618	1.9
53.03929	3.9
55.05494	13.0
57.07058	3.5
57.67360	1.7
65.03921	3.1
67.05494	22.6
69.03401	4.1
69.07043	13.2
69.57634	5.6
69.58038	10.4
71.04935	1.8
79.05481	16.5
81.07043	33.4
83.04984	2.6
83.08612	10.7
85.06548	5.2
91.05468	27.8
93.06436	2.0
93.07030	42.5
95.04951	5.5
95.08587	57.8
97.06512	4.5
97.10178	2.6
99.08070	6.9
100.11230	8.7
101.11575	3.4
105.07014	60.1
107.08574	54.6
109.06474	5.9
109.10136	27.3
111.04459	2.3
111.08067	8.2
114.90196	1.8
117.06268	1.7
117.06984	10.4
119.04918	2.5
119.08561	100.0
119.23046	2.2
121.06532	9.5
121.10125	32.5
123.08070	6.8
123.11668	6.5
125.09621	2.1
128.06195	2.9
129.06967	6.6
130.07800	3.9
131.08557	43.5
133.09166	3.3
133.10110	44.2
135.08018	8.7
135.11688	22.4
137.09601	6.7
137.13206	3.2
142.07770	4.7
143.08546	18.8
144.09270	3.3
145.10095	60.2
147.04376	3.5
147.08044	8.2
147.10565	3.5
147.11665	45.3
148.24074	1.9
149.09605	5.9
149.13217	13.9
151.11145	3.3
151.14749	2.6
155.08548	4.8
156.09302	6.2
157.10118	23.1
158.10873	3.2
159.08034	4.7
159.11655	39.0
161.09602	16.6
161.13219	30.5
162.13658	2.4
163.07416	2.9
163.11157	7.1
163.14774	17.2
165.09053	1.8
167.08578	1.8
169.10133	9.1
169.37939	2.3
170.10889	4.8
171.11650	21.9
173.09547	4.1
173.11835	3.9
173.13237	43.5
174.13716	2.3
175.11044	2.3
175.14783	27.0
177.12692	2.3
177.16357	9.7
179.14261	4.6
181.10059	3.2
182.10881	2.3
182.15384	3.0
183.11711	10.4
185.09688	2.7
185.13234	28.0
187.11172	2.7
187.14783	58.1
189.12689	18.8
189.16336	16.3
191.14270	19.4
193.12202	2.3
193.15897	3.2
195.11690	4.1
195.13695	2.4
197.13234	8.3
199.14812	28.3
201.16348	37.3
203.14285	9.3
203.17929	3.8
205.12161	2.9
205.15826	10.5
207.13780	3.2
209.13277	4.4
211.14847	8.1
212.15555	2.6
213.16342	21.3
215.14279	15.8
215.17923	4.9
217.15787	7.3
219.13840	4.1
223.14793	4.4
223.16838	2.6
225.16240	3.5
227.17857	11.9
229.15863	4.3
231.13799	2.8
233.15422	4.5
237.16344	3.7
239.17947	5.5
241.19501	5.3
245.15353	10.0
251.17883	4.0
253.19499	6.8
255.20920	3.2
259.16870	9.9
263.61295	2.3
267.21152	4.1
273.18497	6.5
275.20071	4.7
285.18759	2.1
337.25119	3.2
373.28748	8.3
391.29956	36.8
401.28253	2.4
409.30966	45.4
410.31354	3.3
411.32312	3.1
419.29422	14.1
437.30414	22.8
455.20880	4.1
455.31445	53.6
456.31900	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	455.3148
Annotation	Wilforic acid
Peak:m/z	Relative Intensity
53.03916	2.6
53.29686	2.1
55.05495	20.1
57.03420	4.1
57.07064	3.6
58.17236	2.1
59.89497	2.1
60.43940	2.0
62.51230	2.1
63.06709	2.4
63.52524	2.5
65.03917	3.6
65.56047	2.0
67.05492	34.0
69.03423	3.6
69.07047	25.4
70.06561	3.2
71.04961	5.3
79.05479	22.8
81.03402	3.5
81.07040	49.0
83.04964	6.2
83.08596	8.8
85.02859	6.4
85.06518	5.5
86.09686	3.0
89.06023	4.7
91.05453	32.0
93.07033	40.3
95.04926	7.2
95.08582	54.3
97.06506	5.6
99.08042	4.6
103.78906	2.5
105.07003	54.7
107.08569	68.2
109.06496	9.0
109.10133	56.1
111.08052	8.6
112.54833	2.4
115.05402	2.8
117.07004	10.5
119.04869	4.3
119.08561	94.6
120.08861	2.9
121.06488	10.7
121.10118	45.3
123.08041	7.9
123.11684	9.8
125.09608	2.5
128.06174	3.7
129.06985	7.4
131.08534	39.9
132.08861	3.4
133.08583	3.1
133.10101	50.7
135.08041	18.6
135.11659	21.5
137.09558	15.1
141.06985	4.1
142.07758	4.3
143.08533	21.4
145.10091	50.1
147.04382	10.5
147.08009	8.5
147.11650	37.7
149.02312	3.9
149.09610	6.3
149.13260	16.9
151.07535	3.3
151.11111	5.9
155.08540	6.8
157.10089	29.6
158.10851	2.6
159.08011	3.7
159.11661	38.7
161.09599	13.6
161.13226	43.7
162.13545	2.9
163.03891	2.9
163.11162	5.4
163.14761	19.0
165.09103	2.9
165.12694	6.5
169.10063	13.1
170.10866	6.8
171.11641	27.3
173.09512	3.2
173.13229	42.9
173.44666	2.4
175.07449	3.4
175.11198	6.7
175.14774	24.9
177.09065	3.7
177.12737	10.2
177.16367	9.3
179.14273	6.9
181.10092	3.2
183.11627	18.1
184.12407	3.6
185.13242	25.0
187.14784	48.6
187.16347	3.7
189.09129	2.5
189.12694	15.6
189.16347	16.5
191.14270	19.0
191.17996	4.1
193.15865	4.4
195.11646	7.1
196.12411	2.7
197.13165	12.7
199.14775	26.4
201.12692	3.2
201.16368	33.3
203.07008	3.0
203.14255	13.7
203.17896	5.5
205.15855	9.6
207.11823	3.4
207.13734	4.4
209.13246	4.3
211.14763	9.3
213.16357	26.0
215.14285	8.4
215.17915	6.8
217.12166	3.9
217.15863	9.8
219.13660	4.0
219.17393	5.4
221.15466	3.0
223.14781	4.3
225.16356	8.9
227.17911	17.9
229.15855	6.8
231.13773	3.2
231.17369	7.9
237.16397	3.3
239.17990	10.9
241.19495	10.1
243.21118	2.5
245.15424	7.7
245.18907	3.8
247.16905	8.7
251.17868	5.7
253.19514	29.4
254.19891	2.7
255.21077	6.0
257.18958	3.3
259.16986	13.9
263.17923	3.1
267.21036	6.3
269.22681	3.1
273.18427	17.8
277.19562	3.1
279.21127	4.1
281.22760	3.5
285.18353	4.9
287.19928	3.8
295.20511	3.5
299.20007	25.4
303.20889	3.9
325.52112	2.4
327.23257	3.0
331.13574	2.4
335.23694	3.5
349.21451	3.6
353.24780	3.7
363.30670	3.5
367.26303	3.4
373.28745	12.8
375.30408	5.2
391.29926	51.2
392.30420	3.0
393.31458	6.7
395.25720	4.9
409.30954	83.5
410.31186	8.6
411.33243	3.5
413.26965	6.8
419.29248	20.4
427.32077	5.2
437.30493	39.8
438.30951	2.5
455.21924	4.5
455.31522	100.0
456.31821	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	455.315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
55.05505	9.3
57.03420	1.9
63.02301	1.5
67.05499	16.7
69.03410	3.4
69.07066	14.3
69.57593	14.7
79.05477	17.9
81.07048	35.4
83.04956	2.1
83.08628	7.0
85.06521	3.4
91.05472	26.1
91.45524	1.6
93.07037	36.6
95.04949	3.4
95.08598	46.4
97.06483	2.3
97.10160	2.1
98.20694	2.9
99.08083	8.3
105.07021	47.8
107.08584	60.7
109.06510	5.9
109.10144	29.8
111.08086	9.4
115.05463	1.6
116.06163	1.6
117.07003	9.0
119.08569	100.0
120.08874	1.6
121.06492	10.0
121.10121	38.6
123.08099	7.7
123.11674	8.7
124.51196	1.8
125.09616	2.2
127.07531	1.7
128.06232	3.8
129.07008	6.2
130.07813	2.5
131.08563	38.8
133.10112	42.5
134.10503	1.9
135.08035	11.5
135.11679	20.3
137.09619	6.8
137.13243	3.0
142.07771	6.6
143.08562	19.0
144.09297	4.4
145.10115	56.5
145.11227	3.4
147.08046	9.7
147.11670	37.2
149.09639	3.9
149.13268	10.1
151.11214	2.2
153.09048	1.6
155.08572	3.9
156.09322	7.4
157.10110	26.3
158.10858	5.0
159.08061	2.8
159.11691	36.0
161.09602	12.9
161.13251	29.4
163.07565	2.2
163.11211	5.8
163.14816	13.4
168.09256	1.8
169.10094	10.3
170.10956	8.4
171.11691	18.3
172.12486	2.8
173.09627	3.2
173.13248	36.8
175.11189	5.4
175.14790	28.1
177.12685	2.6
177.16393	6.2
179.14297	3.8
182.10934	2.0
183.11690	11.6
184.12422	2.4
185.13243	24.2
187.11221	2.4
187.14813	48.3
187.23882	1.6
189.12718	19.7
189.16341	10.0
191.14302	11.9
193.15874	2.9
195.11708	3.9
195.13812	1.9
197.13187	10.9
199.14825	32.9
200.15346	1.7
201.12671	2.2
201.16370	42.1
202.16635	2.1
203.10690	2.2
203.14253	7.9
203.18010	4.9
205.15872	8.5
207.11969	2.0
207.13834	2.8
209.13327	4.0
211.14783	7.8
213.16380	21.0
215.14273	14.2
215.17882	5.3
217.12236	2.3
217.15891	6.2
219.13864	3.1
219.17416	1.8
221.15294	2.6
223.14850	2.6
225.16377	5.3
227.17929	7.1
229.15807	5.3
229.19415	3.6
231.17407	3.8
233.15329	5.1
235.13222	2.0
237.16280	1.8
239.17935	6.2
241.19531	2.9
245.15410	11.1
245.18950	2.6
251.18007	2.4
253.19518	4.8
255.21271	2.2
259.16937	8.3
269.19012	2.9
273.18524	8.3
275.20163	4.1
281.22528	1.9
285.18402	1.8
299.19873	1.9
305.22427	2.2
319.24173	1.7
337.25558	2.7
373.28900	8.2
391.29965	32.2
393.31522	2.3
401.28262	2.2
409.31003	38.2
411.32739	2.2
419.29382	10.2
437.30466	13.9
455.31479	43.2
456.31979	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.01850	1.8
55.05504	20.8
57.03431	4.2
57.07071	4.7
59.04987	3.2
65.03959	1.9
67.05502	28.2
69.03418	6.8
69.07062	17.8
69.57436	4.8
69.57861	10.4
70.06583	1.9
71.04980	5.9
71.82970	1.6
73.02912	1.6
79.05483	24.2
81.03404	4.3
81.07047	42.5
83.08616	10.7
85.02895	8.0
85.06530	3.9
91.05466	34.4
93.07037	49.1
95.04955	6.3
95.08601	59.6
97.02885	3.5
97.06537	6.8
99.08087	10.1
103.05408	1.7
105.07022	65.8
106.07362	2.7
107.04902	2.0
107.08585	73.1
108.08908	2.1
109.06511	7.4
109.10150	33.8
111.08076	7.0
115.05414	2.3
116.06261	1.6
117.07016	9.2
119.04905	2.9
119.08575	100.0
120.08906	2.5
121.06510	14.0
121.10136	42.3
123.08047	10.3
123.11693	11.8
125.05961	2.1
125.09647	4.6
128.06236	4.9
129.06979	8.4
130.07784	2.8
131.08554	46.6
133.10123	49.6
134.10510	2.9
135.08037	11.4
135.11684	21.5
137.05940	2.4
137.09583	7.0
137.13234	4.6
141.07031	2.4
142.07761	6.2
143.08559	20.5
144.09329	2.5
145.10112	57.9
147.04398	11.8
147.08018	8.2
147.11670	41.2
149.09619	7.1
149.13231	13.2
151.07492	2.1
151.11139	4.1
153.09050	1.9
155.08563	6.9
156.09282	5.6
157.10118	27.5
158.10808	4.3
159.08090	5.4
159.11681	51.0
159.12958	3.5
161.09607	15.8
161.13258	28.9
162.13484	2.0
163.03908	3.2
163.07570	4.1
163.11172	8.0
163.14793	12.7
165.09123	3.1
165.12791	2.9
169.10104	10.3
170.10953	5.8
171.11673	25.9
172.12277	2.0
173.09590	3.0
173.11792	1.2
173.13263	36.6
175.11191	6.1
175.14815	29.7
177.09149	3.0
177.12740	2.5
177.16359	10.3
179.14275	5.7
181.10048	2.0
182.10887	1.7
183.11691	14.1
185.13242	28.0
187.11176	3.1
187.14809	53.8
189.12794	13.7
189.16374	10.2
191.10733	1.8
191.14285	17.6
191.17917	2.0
193.15901	2.3
195.11684	3.6
197.13222	11.2
199.11115	3.2
199.14827	31.4
201.12766	4.8
201.16379	41.3
202.16798	2.6
203.14319	9.2
203.17911	5.2
205.15921	11.9
207.13811	3.3
208.12474	1.8
209.13322	4.0
209.15244	2.0
211.14842	7.7
213.12862	2.6
213.16341	18.3
215.14336	12.8
215.17941	4.9
217.12262	3.1
217.15874	7.6
219.13815	4.8
219.17525	3.0
221.15382	2.8
223.14786	2.3
223.16896	2.5
225.16481	4.8
227.14369	2.3
227.17970	7.5
229.15883	5.0
229.19527	2.7
231.13718	2.4
231.17422	3.9
233.15494	3.5
235.14798	2.0
237.16443	1.9
239.17955	4.8
241.19574	4.6
243.17354	3.7
245.15346	8.5
247.16928	3.2
251.17876	4.2
253.19504	5.5
255.21194	3.6
259.16953	7.9
267.17734	1.9
267.20959	2.9
269.18954	3.0
269.22617	1.9
273.18503	5.5
275.17010	1.7
275.20105	6.5
279.21234	1.9
283.20520	2.4
286.10403	2.1
299.20044	4.1
306.94604	1.9
317.22507	1.9
325.21597	2.3
337.24988	2.4
373.28674	8.6
375.30386	2.0
383.26172	2.0
391.29889	33.2
392.30563	2.7
393.31473	3.0
409.30923	43.2
411.32773	2.1
419.29205	14.7
419.33289	1.6
437.30377	24.3
455.31485	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3515
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
55.05505	21.6
55.80247	3.6
57.07083	8.1
67.05517	17.2
69.07057	23.7
69.87354	24.6
73.58231	3.5
79.05492	21.6
81.07050	50.4
83.08602	14.9
91.05478	22.6
93.07037	48.6
95.08598	98.2
96.08974	4.1
97.10157	6.6
98.21424	7.6
99.08053	17.1
99.43463	3.8
105.07018	65.8
107.08585	78.3
109.06513	5.4
109.10137	51.9
111.08082	16.5
117.07004	6.2
119.08568	94.6
121.10140	59.0
123.08018	5.3
123.11678	27.4
124.27998	3.6
129.07033	4.0
131.08562	43.4
133.10120	73.5
133.11096	2.6
135.11681	34.7
137.13251	12.5
143.08551	8.9
145.10106	57.3
147.11667	76.3
149.13235	31.2
153.09065	4.1
157.10074	17.4
159.11682	43.0
161.13248	32.0
163.14772	29.2
171.11703	9.5
173.13246	21.5
175.14795	33.8
177.16376	22.1
179.14354	5.5
181.10245	3.8
183.11763	4.9
185.13269	7.5
187.14789	43.7
189.16371	47.0
191.17929	100.0
193.15872	3.6
199.14792	10.3
201.16365	87.4
203.17953	71.7
205.15849	23.7
205.19495	7.6
207.17484	7.0
213.16389	8.9
215.18002	14.3
217.19521	12.2
219.17427	19.3
231.17473	3.9
241.19463	5.4
244.35832	3.6
247.16931	4.8
259.20496	3.8
391.33563	7.0
409.34698	63.4
437.34207	14.3
455.35574	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3515
Annotation	fatsicarpain D
Peak:m/z	Relative Intensity
55.05502	16.9
57.07045	4.1
66.35539	2.7
67.05499	31.4
69.07057	27.7
69.69231	19.7
69.69639	6.2
79.05482	22.9
81.06603	5.4
81.07044	62.8
83.04989	3.3
83.08604	17.6
91.05462	22.6
93.07031	56.5
95.04952	6.8
95.08006	5.7
95.08595	100.0
97.10139	5.6
105.07020	59.6
107.08576	83.5
109.06499	6.8
109.10136	56.5
111.08070	58.4
111.61216	2.9
117.06990	5.1
119.07726	5.9
119.08562	76.9
121.10133	56.4
123.11691	23.8
125.09621	4.4
131.08534	17.2
133.10118	62.2
135.06729	3.2
135.11673	40.9
137.13200	6.4
139.11154	7.7
143.08496	7.2
145.10089	31.4
147.11667	53.7
149.09563	3.7
149.13229	42.8
153.09096	6.9
157.10098	7.7
159.11684	34.1
161.12321	2.9
161.13264	32.9
163.11154	4.4
163.14799	31.5
166.50130	3.1
169.10112	6.4
171.11697	6.2
173.13277	21.4
175.14781	57.3
177.16348	27.7
179.14270	4.7
185.13252	9.1
187.14821	31.6
189.16368	79.5
191.17984	16.0
199.14751	6.5
201.16357	42.7
203.14337	11.2
203.17917	57.5
205.15852	16.2
205.19490	6.5
207.17381	9.6
211.14885	4.2
213.16348	11.9
215.17928	31.1
217.15788	5.7
217.19302	4.4
219.17422	11.4
221.15375	10.6
221.18994	7.8
227.17860	6.0
229.19476	10.8
231.17419	4.5
233.18987	7.2
235.16962	6.3
241.19447	6.9
243.21149	8.0
247.16904	9.0
249.14914	3.9
249.18376	6.7
255.21063	16.4
257.22458	7.8
261.18442	7.6
261.21979	3.0
269.22528	6.9
301.21600	12.9
303.23410	4.6
305.19122	3.4
315.22992	6.9
379.25977	3.5
391.33475	12.6
409.34586	62.6
419.33160	4.1
425.33743	5.4
437.29715	3.6
437.34286	46.1
455.35397	61.4
456.35553	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	455.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.5
55.05510	15.6
57.07067	2.6
67.05495	16.1
69.07050	15.7
69.67804	16.0
69.68211	3.8
73.53892	2.4
79.05473	12.5
81.07037	36.6
83.08586	11.8
86.88245	2.2
91.05460	15.8
93.07017	34.9
95.04942	4.0
95.08586	68.1
97.06477	2.6
97.10136	5.8
97.55484	2.7
105.07003	30.8
107.08572	63.6
109.06525	4.3
109.10131	40.5
111.08026	5.2
111.11689	2.8
117.07002	6.7
119.08554	100.0
121.10120	47.3
123.11675	15.5
125.05928	3.2
128.06104	2.4
131.08536	18.9
133.10098	45.3
135.08060	2.6
135.11667	37.4
137.13222	8.1
143.08505	3.4
145.10080	40.9
147.11652	27.0
149.13223	19.4
151.07497	4.9
157.10094	8.3
159.11665	30.0
161.13217	26.7
163.07491	12.6
163.14795	24.8
165.12720	2.5
171.11650	8.8
172.12486	2.4
173.13239	27.6
175.14763	18.0
177.16393	14.1
179.14272	5.1
183.11786	3.2
185.13275	7.2
187.14781	42.4
189.16359	33.0
191.17894	60.5
199.14778	7.8
201.16356	38.8
203.17932	35.4
205.15808	5.7
205.19429	5.5
207.17462	4.6
213.16360	7.2
215.14384	3.6
215.17844	11.7
217.19424	8.2
221.19077	3.5
227.17938	5.3
229.15828	4.9
229.19440	12.1
231.21033	4.6
233.15256	7.6
235.16946	3.3
241.19427	5.2
243.20929	6.9
247.16833	17.3
256.68698	2.6
259.16901	3.1
269.22739	2.5
273.18677	2.9
275.20016	3.8
287.19934	3.8
289.21533	3.8
299.84116	2.7
301.21539	4.6
315.23032	3.6
368.06860	2.7
379.04803	2.7
391.33533	15.3
409.34558	36.8
437.34119	33.8
455.35413	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	455.3516
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
55.05509	13.6
57.07069	5.6
67.05500	14.9
69.07062	13.9
70.28804	9.9
70.29209	13.7
72.13457	5.4
75.68316	4.0
79.05483	19.7
81.07048	26.8
83.08608	18.9
91.05479	12.8
91.52305	3.9
93.07040	25.6
95.08595	65.2
97.10161	6.8
98.21338	7.0
105.07006	28.3
107.08591	59.4
109.10161	45.6
111.08095	6.3
119.08574	59.6
119.48581	3.9
121.10143	34.7
123.11703	10.5
131.08557	8.0
133.10112	48.6
135.08073	4.9
135.11714	22.8
137.13229	7.7
143.08575	6.6
145.10091	19.2
147.11671	29.1
149.13264	16.3
153.09093	5.7
159.11690	15.3
160.85283	4.1
161.13220	22.1
163.11160	25.5
163.14839	21.9
173.13298	10.1
175.14839	27.8
177.16350	25.0
185.13286	4.5
187.14803	26.7
189.16374	41.7
191.17960	17.1
201.16365	21.7
203.17924	77.4
205.15860	100.0
205.19534	8.3
207.17444	14.2
209.58592	4.6
213.16342	5.9
215.17911	10.2
217.19531	5.1
219.17439	7.7
221.18938	5.7
229.19493	4.7
235.16887	4.9
247.16997	8.8
249.18477	13.3
261.18539	8.5
283.24243	6.6
313.25104	5.2
329.24716	6.5
391.33362	7.1
409.34650	67.1
437.34048	16.1
455.35535	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3513
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
53.03943	3.9
55.05497	21.4
57.07051	3.5
67.05505	26.0
69.07069	25.5
70.17841	12.0
71.05006	2.9
75.85245	3.5
79.05477	20.7
81.07047	53.0
83.08627	13.9
89.19167	3.2
91.05467	26.9
93.07030	43.6
95.04982	6.6
95.07997	5.2
95.08589	82.8
96.08923	3.5
97.10144	6.8
98.20790	3.6
99.08069	3.0
105.07017	43.0
106.38683	2.5
107.04905	4.6
107.07914	5.2
107.08585	74.9
109.06445	5.6
109.10141	50.4
111.08072	6.4
117.07006	8.8
119.08566	77.5
121.10129	58.8
123.08039	5.8
123.11703	17.4
125.05991	3.8
125.09641	3.8
129.06970	6.3
131.08575	23.7
133.10120	51.6
135.08064	4.1
135.11691	39.2
137.13202	9.8
141.06894	3.5
143.08501	7.6
145.10109	41.0
147.08084	3.9
147.11661	31.6
149.13242	20.7
151.14835	3.7
153.09142	3.6
155.08606	4.1
157.10165	16.1
159.11690	35.7
160.63109	2.7
161.09558	5.6
161.12277	2.7
161.13277	27.4
163.11189	4.6
163.14793	23.9
169.10191	5.6
171.11644	18.8
173.09630	3.2
173.13232	29.1
174.13690	4.2
175.11108	3.1
175.14810	28.6
177.12708	4.9
177.16364	22.0
179.14302	4.6
183.11597	6.6
185.13200	11.1
186.13982	6.9
187.11214	4.3
187.14818	25.7
189.12733	10.7
189.16359	52.5
191.14253	5.9
191.17937	21.9
193.10255	3.0
193.15875	3.0
197.13315	5.2
199.14857	14.7
201.12761	14.9
201.16354	38.0
203.14374	5.8
203.17938	31.7
205.15881	8.6
207.17424	4.0
211.14937	4.3
213.16351	9.9
214.17152	7.8
215.17934	27.8
217.12340	5.9
217.15869	5.2
217.19475	5.7
219.13808	9.0
219.17393	10.0
221.15306	4.0
225.16417	5.3
227.17815	6.8
229.15923	4.7
229.19508	66.6
233.18919	4.0
235.16872	7.2
237.60983	2.9
239.17755	4.1
241.19527	9.3
243.21107	13.0
247.16966	14.9
247.20485	16.8
253.19540	5.1
255.21005	13.4
261.18436	4.7
261.22223	3.5
267.21045	3.2
269.22614	3.8
273.22079	3.3
275.20010	7.4
287.19958	4.8
299.20059	4.0
301.21646	7.8
391.29309	3.6
391.33646	13.2
401.28345	3.2
409.34790	37.0
411.36041	3.6
437.34573	37.3
455.35809	100.0
456.35883	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	455.3513
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
53.65474	4.0
55.05494	17.1
60.02494	3.9
65.94580	3.9
67.05482	19.6
69.07059	25.2
73.07610	4.2
78.91167	4.0
79.05479	20.2
81.07049	42.4
83.08580	13.8
91.05463	24.6
93.07033	61.4
95.08586	100.0
97.10163	11.3
105.07007	49.0
107.08572	100.0
109.10131	48.0
117.07021	9.1
119.08555	97.9
121.10126	60.2
123.08062	6.4
123.11675	25.7
129.07034	4.8
131.08543	21.6
133.10112	75.8
135.11694	48.9
137.13237	6.9
139.07538	5.6
143.08551	11.0
145.10103	47.7
147.11664	62.0
149.13232	32.8
153.09123	8.5
157.10094	12.9
159.11687	49.5
161.13235	37.3
163.07640	6.7
163.14804	34.7
165.12737	11.5
171.11708	12.9
173.13249	32.5
175.14796	26.7
177.09114	6.9
177.16342	19.4
179.14288	16.8
185.13229	11.7
187.14729	33.9
189.16356	88.6
189.97585	5.1
191.17953	22.2
199.14751	10.3
201.16365	58.8
203.17905	63.2
205.15816	4.7
207.17404	14.3
211.14551	5.5
213.16283	6.6
215.17938	30.1
217.19452	6.1
219.17397	10.8
221.18977	12.5
225.16498	4.9
227.17848	7.0
229.15794	6.3
229.19499	36.0
235.16925	13.6
236.44864	5.1
241.19438	12.2
243.21007	23.3
247.16882	33.2
255.21051	15.8
257.22629	8.3
264.95496	4.3
269.22479	8.8
275.20032	12.0
287.20020	8.4
289.21570	12.6
301.11526	5.0
301.21713	10.3
313.60419	5.3
315.23215	7.6
327.22791	5.1
391.33505	13.7
392.34384	4.9
409.34601	55.3
437.34225	61.6
455.35388	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	1.2
55.05508	3.8
57.07057	1.6
67.05494	7.2
69.07060	11.8
69.68885	2.5
69.69299	6.4
79.05479	7.9
81.07050	13.1
83.08598	5.3
90.42124	1.2
91.05459	6.5
93.07030	14.4
95.08590	34.1
97.10159	2.9
105.07012	12.9
107.08581	44.6
109.10145	17.9
111.08101	1.3
117.06997	2.9
119.08569	26.3
121.09253	1.9
121.10130	30.6
123.08075	1.5
123.11699	5.5
131.08551	5.8
133.10112	21.9
135.08011	1.5
135.11682	14.9
137.13261	1.1
145.10101	16.0
147.11664	13.4
149.13245	10.1
153.09088	1.9
157.10109	1.7
159.11665	8.3
161.13220	8.3
163.11156	11.7
163.14807	7.6
167.10587	1.7
173.13252	4.5
175.14783	15.1
177.16356	30.3
179.14423	1.4
185.13264	1.8
187.14810	14.8
189.16371	13.3
191.14230	1.7
191.17929	4.6
197.13202	1.3
201.16388	5.2
203.14514	1.4
203.17931	33.0
205.15855	100.0
205.19521	6.7
206.16100	2.4
207.17448	4.6
213.16393	1.8
215.17902	4.0
217.15897	2.5
217.19557	2.7
219.17313	2.1
233.18945	1.8
235.16748	1.8
245.19029	1.5
247.17110	1.6
249.18588	7.1
285.25644	2.6
295.24182	4.5
313.25214	9.1
337.80637	1.4
339.27072	1.2
391.33557	4.2
409.34662	35.3
410.34866	1.9
437.34534	10.7
455.30383	2.0
455.35065	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3512
Annotation	Oleanonic acid
Peak:m/z	Relative Intensity
55.05521	7.8
57.26576	4.2
60.52600	3.7
67.05491	15.9
69.07045	14.6
69.59196	16.8
69.59621	17.2
71.84957	4.1
72.81200	3.7
77.35877	4.7
79.05479	13.5
81.07047	29.7
83.08592	12.8
91.05463	14.7
93.07033	28.3
93.99018	4.7
95.08600	54.9
103.47797	3.6
105.07007	27.6
107.08575	45.5
109.10168	29.5
119.08570	38.0
121.10133	45.4
123.11691	7.2
131.08563	5.4
133.10132	35.7
135.11676	22.9
137.09622	4.7
137.13203	5.1
145.10066	21.4
147.11632	25.3
149.13225	24.7
159.11693	16.7
161.13220	18.1
163.14798	30.2
167.56609	4.2
173.13266	12.8
175.14801	29.4
177.16385	37.2
187.14784	16.1
189.16325	35.3
191.17958	9.4
201.16409	12.8
203.17932	93.3
205.15846	67.6
205.19499	9.6
207.17369	4.3
215.17879	13.9
219.17378	6.0
229.19540	4.6
249.18478	15.3
255.27686	4.3
391.33527	7.8
409.34586	100.0
410.34933	6.9
437.34192	21.9
455.35760	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	455.3513
Annotation	Eucalyptanoic acid
Peak:m/z	Relative Intensity
50.59478	5.7
55.05500	15.4
67.05495	24.0
69.07063	31.5
70.35648	4.2
70.38734	3.4
79.05475	16.9
81.07043	51.4
83.08599	19.8
90.79312	3.5
91.05455	23.8
93.07023	42.8
95.04936	5.1
95.08589	91.8
97.10156	5.8
99.08080	5.1
105.06993	50.4
107.08582	88.2
107.14493	4.4
109.06496	4.9
109.10133	37.6
111.08076	5.0
117.07024	7.6
119.08553	79.3
121.10124	68.2
123.08048	5.0
123.11668	19.9
131.08533	21.6
133.10092	70.8
133.11011	5.4
135.11664	36.8
137.13208	6.4
145.10123	34.3
147.11659	46.2
148.11935	3.9
149.09651	4.0
149.13229	37.9
151.11125	5.4
153.09070	4.5
157.10114	13.8
159.11656	27.4
161.13239	30.9
161.57632	4.2
163.11198	9.4
163.14784	67.1
165.12836	8.1
171.11601	6.1
173.13246	13.1
175.14825	42.2
177.16318	38.3
185.13226	5.0
187.14813	25.2
189.16353	100.0
190.13544	10.5
191.17990	19.1
199.14774	5.6
201.16321	39.9
203.17923	83.1
204.18327	4.4
205.15855	40.8
205.19429	4.6
207.17386	13.5
212.84134	4.3
213.16368	8.4
215.17897	17.9
217.15869	5.0
217.19540	7.8
219.17398	11.5
227.17957	5.9
229.19475	8.6
229.48814	4.7
231.17407	6.2
235.16930	11.2
241.19463	4.1
243.21030	9.2
247.16946	5.0
249.18539	11.0
255.21066	4.6
267.21213	5.2
332.08688	3.8
352.94409	3.7
391.33597	20.5
409.34616	91.0
437.34317	32.6
438.34613	5.4
455.35568	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58140	1.9
53.03927	2.6
54.09347	1.7
55.05499	14.8
57.07056	8.4
59.43495	1.7
67.05492	24.5
69.07055	18.3
71.08607	2.9
71.16411	5.2
79.05485	13.5
81.07043	63.8
83.08599	12.1
90.57127	1.9
91.05470	9.1
93.07024	23.8
95.04948	3.1
95.08589	100.0
96.08954	2.2
97.06535	1.8
97.10139	6.9
105.07008	23.1
107.08578	37.8
108.08884	2.1
109.09406	2.7
109.10143	48.0
111.08057	2.7
114.09156	1.8
119.08561	72.2
120.08910	4.1
121.10133	35.6
123.11686	33.5
125.05920	2.0
131.08557	14.0
133.10120	27.3
135.08041	3.0
135.11684	19.9
137.13232	36.1
139.07498	2.1
143.08554	5.0
144.09335	2.8
145.10095	32.5
146.59732	1.9
146.61075	1.7
147.11681	14.5
149.13248	13.0
151.07568	2.4
151.14801	2.7
157.10141	8.8
159.08028	2.8
159.11670	20.6
161.09534	2.5
161.13258	17.6
163.07509	7.4
163.11179	2.4
163.14806	15.2
169.10097	6.5
171.11620	9.7
173.13268	18.7
175.11108	2.0
175.14845	11.2
177.09064	4.1
177.16382	7.1
179.14207	1.9
179.17896	6.3
183.11696	2.9
185.13261	7.2
187.14792	30.7
188.15198	2.5
189.16394	11.5
191.10687	2.2
191.17906	38.3
199.14806	10.2
201.16330	23.7
203.14304	2.3
203.17935	19.3
205.19531	6.0
211.14813	7.4
213.16348	25.3
215.14345	4.1
215.17937	5.7
217.19542	4.2
225.16141	2.3
229.15854	15.1
229.19456	7.5
231.17419	6.2
231.21069	2.6
233.15404	7.2
241.19525	2.2
245.15259	3.8
247.16838	12.1
255.20953	3.0
257.15298	8.0
259.16815	8.7
269.22531	2.3
273.21677	1.9
275.16452	8.9
277.17889	3.7
357.75220	2.0
391.33447	10.5
393.35165	2.9
409.34647	26.6
437.34308	23.8
455.35846	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
55.01871	6.1
55.05512	20.8
57.03429	22.1
59.04976	2.8
62.72611	2.5
64.83543	2.7
65.03919	2.7
67.05494	32.6
69.03418	14.7
69.07043	10.6
70.06598	2.7
71.04964	9.3
71.70089	4.2
71.70483	4.7
79.05486	27.8
81.03405	71.9
81.07046	39.9
83.04975	17.4
83.08594	18.4
85.02894	53.8
85.06557	4.4
86.09697	4.7
91.05467	38.9
93.07031	27.0
95.04403	3.7
95.04958	39.7
95.08601	19.9
97.02858	7.4
97.06496	6.5
98.98455	61.7
99.04427	5.6
99.08054	3.2
105.07005	32.8
107.04945	6.2
107.08596	19.8
109.02869	7.0
109.06490	9.8
109.10116	6.9
111.08059	15.1
113.05978	5.0
116.06991	2.4
119.08562	23.9
121.06502	5.1
121.10127	18.0
123.08044	6.0
123.11703	4.4
125.09623	3.8
127.03909	6.1
129.05450	3.1
129.06993	9.4
131.08539	15.8
131.53270	2.4
133.06474	3.7
133.10074	15.8
135.08031	4.6
135.11707	4.0
136.07535	5.2
137.09593	4.3
142.07762	3.4
145.10095	3.7
147.04391	8.7
147.08006	6.1
147.11670	14.4
149.09622	12.2
151.07512	4.3
151.11127	3.8
155.00999	15.4
157.10117	12.0
159.11685	3.7
163.03893	6.9
163.11156	4.4
165.12732	5.5
169.86226	2.7
173.02107	9.8
173.13144	2.6
175.11176	22.0
192.70880	2.7
193.12234	51.1
201.12447	2.9
209.15396	5.2
211.13235	34.3
229.04655	4.1
245.06279	2.4
247.05835	7.8
249.14932	8.4
267.13223	4.4
267.15903	73.0
275.78952	2.7
285.16931	100.0
286.17172	3.6
295.22876	2.5
306.47662	3.0
355.08621	3.0
403.15030	8.7
421.16144	3.3
457.23999	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	457.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.7
55.01873	4.3
55.05498	11.5
67.05501	16.4
69.03419	16.7
69.07053	11.1
69.32893	2.8
70.06578	3.4
71.04973	6.4
71.70259	3.4
79.05473	18.6
81.03403	13.4
81.07047	30.9
83.04982	7.1
83.08607	5.9
85.02895	10.6
85.06543	4.1
86.09685	2.3
91.05462	18.9
92.00627	2.6
93.07037	30.1
93.07597	4.1
95.04964	8.5
95.08591	26.0
97.02886	7.2
97.06513	4.0
99.04488	4.1
99.08087	10.0
103.01024	2.8
105.07011	28.2
107.04947	6.3
107.08580	39.6
109.02890	10.1
109.06508	9.0
109.10130	14.9
111.08094	5.5
115.05402	5.0
117.07033	8.3
119.04919	5.2
119.08560	23.4
120.08072	5.7
121.06518	4.1
121.10139	28.9
122.07286	5.5
123.08041	5.6
123.11703	4.1
125.02322	2.4
127.03926	8.4
129.06982	6.3
131.08527	15.9
133.06554	3.3
133.10112	100.0
135.08075	14.0
135.11696	10.1
137.05998	6.9
137.09598	51.5
137.10635	2.6
139.11143	3.8
142.07748	4.3
143.08559	6.9
145.06482	3.4
145.10129	16.2
147.04404	10.2
147.11688	18.6
149.09615	3.6
149.13237	8.7
151.11183	4.2
155.08655	3.5
157.10120	8.9
159.11670	12.6
161.09624	3.3
161.13246	4.6
163.03864	10.0
163.11189	5.8
163.14803	4.2
165.09108	8.3
169.09982	3.1
171.11656	7.4
173.13269	10.7
175.11125	3.3
181.04993	4.1
183.11665	7.5
185.06033	2.9
185.13242	7.3
187.07549	3.0
187.14778	5.2
189.12813	4.4
191.14281	52.3
197.13187	3.7
199.14771	7.1
201.16290	2.5
203.17857	4.2
205.15802	3.1
207.11523	3.3
209.13261	2.9
209.15385	4.8
211.07532	3.7
211.14876	3.9
213.09196	3.0
213.12744	2.8
221.06087	4.1
225.05592	2.8
257.08124	5.0
267.06516	3.4
268.07443	3.1
269.08084	3.5
277.21249	2.5
285.07474	5.6
295.06058	9.3
403.11664	3.6
403.30246	4.7
409.30835	3.6
411.14297	3.0
421.12888	5.1
421.31110	8.9
421.97525	3.0
439.13824	9.2
439.32022	11.2
457.14841	5.9
457.24069	5.0
457.33069	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	457.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.9
51.30301	0.7
53.03926	3.4
55.01851	2.1
55.05490	4.5
57.03412	3.0
57.07055	1.4
58.63831	0.7
59.04963	1.6
67.05497	7.6
68.99812	0.7
69.03418	13.5
69.07059	5.2
70.95200	1.2
70.95542	1.7
71.04983	3.7
73.02885	2.3
79.05473	6.3
81.03402	13.0
81.06601	1.2
81.07043	15.7
83.04973	4.4
83.08592	2.4
85.02886	18.3
85.06519	2.7
86.09681	2.7
87.00819	5.5
91.05463	7.5
93.07032	13.3
95.04950	5.5
95.08586	12.0
96.08920	0.7
97.02863	6.7
97.06493	2.8
99.04450	4.0
99.08079	5.8
103.05446	1.3
105.01839	3.6
105.07014	13.7
107.04909	2.6
107.08571	20.2
109.02862	7.9
109.06493	7.4
109.10130	8.6
111.08072	1.1
113.09521	0.9
115.05467	0.9
117.06992	2.4
119.04886	1.7
119.08561	13.0
120.08083	5.6
121.06478	2.9
121.10126	19.4
122.07299	0.9
123.04372	1.5
123.08058	6.0
123.11698	4.5
125.09587	2.3
127.03893	12.6
127.07599	0.9
128.06207	1.1
129.06978	0.9
131.04764	0.8
131.08514	8.4
133.06483	0.8
133.10101	10.1
135.08029	3.4
135.11671	5.2
137.05942	1.4
137.07066	0.7
137.09593	12.3
137.13213	1.5
139.11185	1.2
142.07710	1.4
143.08569	4.6
145.04929	2.8
145.10100	6.9
147.04391	4.3
147.08034	2.1
147.11646	9.9
149.09593	9.2
149.13214	5.2
151.11157	44.0
155.08546	1.8
157.10124	5.3
159.02846	2.4
159.07988	1.2
159.11635	7.3
161.09558	1.6
161.13237	2.8
163.03851	1.7
163.11142	1.8
163.14786	2.7
164.26862	0.8
165.06947	1.4
165.09038	1.3
165.12724	34.7
166.08601	2.5
167.08528	0.8
169.10048	2.8
171.11647	4.0
173.09750	1.8
173.13239	7.7
175.11078	1.1
175.14818	2.6
177.12599	0.8
183.11653	3.3
185.13229	5.8
187.14746	3.7
189.16422	0.9
191.14258	10.5
193.15851	5.9
195.11595	1.1
197.13159	2.0
199.14810	4.1
201.16348	2.4
203.10655	0.9
203.14272	2.1
205.15784	1.4
207.11835	1.4
209.15326	100.0
210.15688	2.8
211.14807	2.2
213.16295	2.6
215.14345	1.1
217.15958	1.1
227.17752	0.8
231.04988	1.2
234.58897	0.7
237.16409	1.3
239.17953	0.7
253.19388	0.8
263.17770	1.3
267.06583	1.1
269.18997	1.0
271.20560	1.2
281.18997	1.9
295.05939	3.1
295.15744	0.9
299.20233	1.2
317.21133	0.8
349.25195	1.0
367.26120	0.9
385.27359	2.1
403.29987	2.0
421.31009	4.3
439.14111	1.0
439.32245	4.7
457.23978	3.0
457.33093	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	457.2401
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
52.33753	0.7
53.03927	0.8
55.01867	0.8
55.05482	1.2
57.03432	0.9
66.31968	0.7
67.05495	1.2
69.03407	2.7
70.06583	3.3
71.04974	0.8
71.70033	1.2
72.08138	1.9
73.02898	1.2
79.04935	0.7
79.05464	1.8
81.03407	2.4
81.07034	1.6
83.04995	0.7
85.02885	3.7
86.09704	1.6
87.00803	1.0
91.05458	2.2
93.07015	2.6
95.04964	1.4
95.08582	2.0
97.02866	2.7
97.43134	0.6
99.04427	1.3
105.07007	2.5
107.08566	2.2
109.02863	1.9
109.06503	0.9
115.06365	0.6
119.08582	0.7
121.06446	0.7
121.10110	3.6
123.11679	1.1
127.03921	3.0
133.10094	1.2
135.08067	1.1
136.07515	0.8
137.02330	1.1
137.09578	1.4
145.04976	1.4
147.04355	3.7
149.09599	29.4
151.11182	1.6
159.11696	0.9
163.03879	1.5
165.12723	1.0
191.14270	4.5
201.03691	1.9
203.05219	3.3
209.15356	7.2
229.15483	1.4
277.17651	7.0
279.19260	13.6
366.59601	0.7
457.24078	100.0
458.24536	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33753	0.7
53.03927	0.8
55.01867	0.8
55.05482	1.2
57.03432	0.9
66.31968	0.7
67.05495	1.2
69.03407	2.7
70.06583	3.3
71.04974	0.8
71.70033	1.2
72.08138	1.9
73.02898	1.2
79.04935	0.7
79.05464	1.8
81.03407	2.4
81.07034	1.6
83.04995	0.7
85.02885	3.7
86.09704	1.6
87.00803	1.0
91.05458	2.2
93.07015	2.6
95.04964	1.4
95.08582	2.0
97.02866	2.7
97.43134	0.6
99.04427	1.3
105.07007	2.5
107.08566	2.2
109.02863	1.9
109.06503	0.9
115.06365	0.6
119.08582	0.7
121.06446	0.7
121.10110	3.6
123.11679	1.1
127.03921	3.0
133.10094	1.2
135.08067	1.1
136.07515	0.8
137.02330	1.1
137.09578	1.4
145.04976	1.4
147.04355	3.7
149.09599	29.4
151.11182	1.6
159.11696	0.9
163.03879	1.5
165.12723	1.0
191.14270	4.5
201.03691	1.9
203.05219	3.3
209.15356	7.2
229.15483	1.4
277.17651	7.0
279.19260	13.6
366.59601	0.7
457.24078	100.0
458.24536	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.6
53.59888	2.5
55.01861	3.1
55.05505	17.5
56.62447	2.4
57.03429	4.1
57.07055	4.8
67.05488	30.5
69.03421	15.4
69.07059	12.7
69.66310	23.1
70.06565	4.3
71.04975	10.5
71.08615	3.5
78.68472	2.8
79.05479	40.4
81.03400	7.6
81.07045	42.4
83.04961	15.5
83.08627	7.2
85.02890	11.2
85.06534	6.6
89.21224	2.6
91.05457	44.2
93.07027	74.7
95.04955	11.3
95.08600	50.6
97.02872	6.9
97.06517	11.9
99.04446	3.3
99.08086	33.6
103.05476	3.5
105.07012	67.1
107.04921	5.7
107.08574	87.0
109.02829	3.1
109.06477	12.9
109.10133	25.6
111.04417	3.0
111.08054	8.8
112.04939	2.8
115.05387	3.0
116.06258	3.2
117.06990	18.0
119.04902	6.8
119.08566	100.0
120.08940	3.4
121.06488	12.2
121.10125	43.9
123.08057	14.2
123.11681	13.1
125.09605	8.5
127.03876	4.8
128.06235	4.9
129.06992	10.5
130.07808	3.4
131.04959	4.5
131.08543	56.4
133.10123	54.9
134.05627	2.6
135.08034	15.7
135.11691	21.9
137.07040	2.7
137.09612	10.4
142.07753	12.8
143.08536	33.6
144.09294	4.9
145.10091	53.6
147.04373	21.8
147.08014	14.6
147.11667	66.4
149.05980	4.4
149.09584	15.5
149.13246	12.0
151.11145	5.4
153.05437	4.0
153.12675	3.1
155.08580	9.8
156.09314	7.4
157.10100	42.1
158.10814	4.1
159.11653	52.6
161.09616	14.4
161.13263	25.5
161.40765	3.0
163.03908	7.8
163.11157	11.6
163.14821	10.3
165.09091	13.8
165.12651	2.8
167.08559	3.1
168.09192	3.9
169.10123	15.6
170.10938	8.1
171.11644	30.4
173.13220	46.7
175.11195	6.1
175.14790	14.8
177.12723	6.7
177.16374	6.9
179.14291	4.9
181.10037	6.4
182.10945	3.5
183.11653	21.6
185.09679	4.5
185.13258	29.6
187.14766	36.0
189.12700	10.8
189.16313	5.6
191.14273	38.1
193.10167	4.0
195.11600	9.0
197.13226	16.9
199.14815	36.2
201.12651	3.4
201.16417	21.6
203.10588	2.9
203.14316	20.9
203.17914	7.6
205.06720	3.4
205.15823	10.3
207.11688	3.7
209.13324	6.4
209.15337	15.8
211.14763	18.2
213.12865	4.2
213.16342	20.7
215.14246	5.8
215.17924	5.7
217.15851	7.6
219.13808	6.1
219.17416	4.6
221.13301	6.1
221.15352	6.7
223.14816	7.6
225.16420	9.6
227.17921	5.3
229.15868	5.3
231.17357	4.5
235.14943	3.7
237.16426	5.7
239.17863	4.0
241.15945	4.1
241.19455	3.6
242.10361	2.7
251.18021	3.7
253.16042	2.8
253.19527	11.7
255.17348	3.0
259.20477	3.6
263.18057	3.4
265.19534	3.2
267.21088	6.7
269.19000	4.7
271.20563	10.0
281.18979	8.0
285.21927	6.6
295.06125	5.0
295.20041	3.5
299.20059	11.0
317.20993	18.0
331.24493	3.8
337.25275	3.4
349.25146	9.4
363.26675	5.8
367.26361	8.1
385.27283	31.0
391.30005	7.5
393.31442	17.0
403.29819	13.3
409.31161	3.7
411.32288	8.5
421.30835	29.1
439.32077	25.1
457.20401	4.5
457.33154	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.8
55.01854	5.5
55.05503	21.5
55.22272	1.8
57.03415	6.6
57.07053	4.6
57.25723	1.9
58.99572	2.5
59.04956	2.1
61.17599	2.0
67.05141	3.1
67.05495	48.5
69.03416	18.4
69.07056	27.0
71.04977	10.6
73.02898	2.9
76.65265	1.8
79.05483	49.1
80.04992	8.7
81.03399	14.2
81.07046	69.9
83.04969	17.8
83.08601	12.7
83.15932	1.9
84.04478	5.4
85.02889	9.4
85.06512	9.0
86.09681	2.7
86.99037	4.3
91.05472	49.9
92.05788	2.7
93.07031	82.8
94.07325	4.3
95.04958	19.1
95.08001	4.2
95.08591	68.4
96.04447	3.9
97.02865	6.0
97.06525	22.8
97.10131	5.8
99.04442	3.5
99.08083	40.3
100.11216	2.8
103.05403	3.3
105.06332	4.4
105.07019	77.6
107.04922	5.8
107.08575	100.0
108.04488	2.9
108.08875	3.9
109.02853	8.0
109.06496	13.8
109.10143	31.5
110.10483	1.9
111.04416	6.2
111.08051	6.8
113.05995	7.0
113.09653	4.2
113.79297	2.2
114.03728	7.9
115.05452	3.7
116.01659	11.0
117.06992	18.3
119.04910	5.8
119.08566	100.0
121.06470	13.3
121.10126	47.9
123.04405	7.4
123.08031	11.3
123.11689	13.1
125.09611	8.1
127.03870	7.3
127.07521	5.8
128.06178	6.8
129.06979	15.9
129.09142	3.2
130.07768	4.2
131.04903	3.9
131.08551	55.7
133.06454	5.4
133.09177	3.3
133.10121	53.3
135.04384	4.1
135.08038	13.0
135.11676	26.7
136.03897	6.4
137.05913	3.8
137.09576	7.9
137.13269	3.4
139.11151	5.0
141.07027	4.5
142.03206	56.3
142.07756	9.4
143.08533	28.0
144.01144	3.2
144.09305	2.6
145.02835	2.2
145.10103	57.9
147.04388	12.1
147.07988	8.7
147.11664	60.9
148.04742	2.3
149.05945	3.9
149.09627	12.0
149.13231	19.5
151.03865	2.7
151.07507	2.5
151.11179	5.4
153.06955	2.3
155.08577	10.8
156.09317	6.7
157.10109	45.2
158.10782	4.2
159.04369	3.0
159.08003	5.8
159.11674	51.2
160.12010	2.4
161.05939	3.3
161.09593	11.2
161.13235	26.0
162.02223	9.7
163.03882	8.1
163.07484	2.9
163.11203	12.2
163.14806	12.9
164.33228	2.1
165.06950	3.2
165.09070	17.0
165.12708	4.5
167.06981	2.4
167.08525	4.5
167.10703	3.2
168.09370	3.2
169.06479	2.3
169.08809	2.0
169.10124	13.9
170.02695	20.5
170.10823	5.8
171.08020	2.9
171.11670	31.3
173.05907	3.0
173.09601	4.9
173.11902	1.5
173.13232	41.8
175.07455	2.7
175.11150	7.2
175.14789	18.8
177.09108	2.7
177.12785	10.4
177.16461	10.9
179.14325	4.3
181.10059	5.1
182.10904	4.4
183.08179	2.6
183.11635	22.1
185.09550	2.8
185.13219	30.8
187.07529	3.0
187.11115	5.8
187.14799	30.1
189.11124	2.9
189.12727	9.8
189.16405	9.7
191.03387	3.4
191.14267	9.1
193.06168	5.5
193.10121	3.6
195.11661	7.2
195.13765	13.3
197.09616	3.9
197.13242	15.2
199.11209	2.9
199.14804	29.1
201.12700	8.8
201.16368	21.9
203.10655	2.7
203.14282	20.4
203.17966	4.8
205.12158	2.6
205.15785	14.4
207.11821	2.7
209.13286	8.7
209.15176	2.4
210.14108	2.2
211.11244	4.6
211.14774	13.5
213.12778	4.4
213.14598	3.0
213.16364	12.5
215.14278	5.4
215.17914	3.6
217.15857	6.0
219.11870	2.6
219.13716	10.1
219.17346	4.3
221.06071	2.3
221.15288	5.6
223.14813	4.9
223.16907	5.3
225.16356	4.7
227.04913	3.7
227.17870	7.8
229.12166	3.3
229.15858	4.5
231.13876	2.4
231.17393	3.1
233.15361	5.0
235.14966	2.8
237.16531	2.7
239.17928	4.9
241.15762	3.7
241.19612	3.5
243.17393	4.9
245.05968	13.6
245.15289	2.5
249.16406	4.3
251.17912	5.8
253.19461	8.9
257.19073	2.3
259.20435	2.7
263.17862	3.0
265.19531	4.5
267.06442	6.0
267.13812	3.2
267.17343	2.1
267.20993	5.6
269.18961	5.4
271.20465	4.7
277.21619	2.9
281.18951	7.6
283.20520	2.5
285.22147	2.5
295.06018	16.8
296.06171	2.6
299.20007	8.4
313.07123	3.9
317.21066	11.4
321.22272	2.7
337.25113	3.3
349.25183	7.3
363.27032	3.9
367.26428	6.0
375.30280	3.9
383.22171	3.9
385.27478	21.8
391.29880	6.2
393.31366	5.3
403.29895	10.4
409.30905	3.6
411.32422	4.8
421.25647	3.7
421.30963	28.9
439.26291	3.8
439.31821	27.6
457.10834	3.0
457.25827	6.5
457.33002	69.8
458.33173	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	457.3308
Annotation	3-Dehydro-15-deoxoeucosterol
Peak:m/z	Relative Intensity
53.03945	0.9
55.01866	4.0
55.05499	4.8
57.03428	0.9
57.07067	5.1
67.05498	8.2
69.03391	1.0
69.07056	5.5
71.04976	1.5
71.70374	0.7
77.03939	0.9
79.05476	9.6
81.03410	0.9
81.07045	14.9
83.04990	1.6
83.08608	4.3
85.02879	0.7
85.06538	9.0
91.05459	10.4
93.07029	14.2
95.04962	2.6
95.08597	13.3
97.06519	6.2
97.10154	1.6
98.98421	1.4
99.08082	95.0
100.08442	0.8
105.07016	16.3
107.04944	2.9
107.08578	20.7
109.06487	3.3
109.10142	11.0
109.75037	0.6
111.08092	2.6
113.06001	0.8
115.05436	1.2
117.07005	5.5
119.08569	21.7
119.66196	0.6
120.08920	0.9
121.06489	2.9
121.10136	16.5
123.08047	3.0
123.11728	4.0
125.09652	1.6
127.07538	56.5
128.06181	1.3
129.06990	5.0
131.08546	11.4
133.06468	2.0
133.10123	14.7
135.08018	3.3
135.11668	9.0
137.09558	3.6
137.13237	0.9
140.11661	0.6
141.06990	1.7
142.07759	1.7
143.08557	6.7
144.09311	1.2
145.06482	1.3
145.08595	2.5
145.10127	12.9
147.08014	5.9
147.11676	8.9
148.08937	0.7
149.05994	0.7
149.09590	5.7
149.13278	3.2
151.11221	1.9
153.07024	0.8
155.08534	3.1
156.09320	0.8
157.10088	6.7
159.08080	1.2
159.11694	11.8
161.09595	6.2
161.13269	5.1
163.11182	4.1
163.14854	2.3
165.09106	1.2
165.12724	0.7
167.08524	1.6
168.09402	0.8
169.10126	3.2
170.32475	0.8
171.11655	4.3
173.09628	1.4
173.13226	7.1
175.11205	2.7
175.14838	4.6
177.12799	2.3
177.16431	2.5
181.10097	1.8
182.10945	0.6
183.11726	2.5
185.13237	4.8
187.11264	1.5
187.14807	6.7
189.12776	1.8
189.16437	3.3
191.14406	2.2
191.17978	1.6
193.10240	0.8
194.10948	0.8
195.11714	1.7
197.13332	2.6
199.14798	3.4
201.12704	4.3
201.16359	6.0
202.13541	1.5
203.10678	1.0
203.14264	4.6
203.17993	0.8
205.15845	5.2
207.11798	0.7
209.13304	1.5
209.15210	0.8
211.14850	2.4
213.12758	1.0
213.16412	2.5
215.14380	2.8
215.17906	1.1
217.15933	1.8
219.13858	2.7
219.17458	2.4
221.13283	0.7
221.15332	1.9
223.14799	1.9
223.17024	1.8
225.13004	0.8
225.16379	1.7
229.15834	0.8
229.19550	0.8
233.15451	2.2
237.16483	1.0
239.18025	1.4
243.17456	0.9
255.17459	1.0
269.19043	1.2
285.22159	1.1
295.24255	2.0
313.25421	2.8
337.25381	0.8
347.23636	1.2
349.25543	2.1
365.24747	3.0
367.26422	2.5
373.27524	1.6
383.25806	1.8
385.27298	9.6
401.27109	0.9
403.30093	1.5
421.31067	6.0
439.32150	10.3
440.32672	0.7
457.33243	100.0
458.33566	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	17.1
57.03439	5.5
57.07056	6.5
59.04972	3.9
65.03923	4.5
67.05498	24.5
69.03417	6.4
69.07060	18.8
69.61259	27.4
69.61601	4.8
71.04971	6.1
74.77306	2.5
79.05486	28.1
81.03429	4.8
81.07051	48.0
83.04964	8.3
83.08597	10.7
85.02894	4.0
85.06535	4.6
91.05479	37.6
93.07038	53.3
95.04961	11.8
95.08598	49.0
97.06507	12.8
97.10152	3.6
97.44477	2.8
97.52570	3.3
98.20655	5.7
99.08071	26.0
103.05442	4.3
105.07017	94.7
105.07714	5.8
107.04917	5.6
107.08581	69.3
107.09269	2.9
109.06503	12.4
109.10148	54.6
110.10487	3.3
111.08076	5.3
113.05993	4.7
115.05427	2.7
117.07009	19.1
119.08564	92.0
121.06496	8.8
121.10133	61.1
123.08054	10.9
123.11718	15.3
125.05953	7.4
125.09667	6.8
129.06966	8.4
130.07854	4.2
131.04930	20.2
131.08551	60.7
132.15602	3.2
133.06506	4.0
133.10117	74.0
135.08040	12.5
135.11671	23.7
137.09592	6.5
137.13283	4.6
141.07005	3.2
142.07776	7.3
143.08565	12.8
144.09351	4.8
145.10100	68.5
147.08041	22.7
147.11670	34.4
149.05945	45.0
149.09647	11.6
149.13231	15.6
151.11180	6.5
151.14882	3.6
155.08545	7.3
156.09373	5.7
157.02271	2.8
157.10115	23.4
158.10979	6.3
159.07983	3.3
159.11688	29.5
161.09625	8.2
161.13226	27.2
163.11183	12.8
163.14830	27.2
165.09070	4.2
165.12726	3.2
169.10114	11.4
171.11713	13.2
173.09683	3.2
173.13225	50.3
175.11238	9.7
175.14801	30.4
177.16356	19.0
179.44994	3.8
183.11688	12.8
185.13219	21.6
187.11133	5.3
187.14795	79.6
189.12750	6.7
189.16327	16.1
191.14308	9.8
195.11740	4.4
197.13202	10.0
199.11177	3.6
199.14867	12.0
201.12712	22.3
201.16328	18.0
203.14323	10.3
203.17931	7.0
205.15858	82.4
205.17735	5.4
211.14809	9.0
213.16399	6.1
215.14232	5.4
215.17967	5.9
217.15889	5.7
219.11676	5.2
219.13786	79.7
221.15414	3.1
223.16898	87.2
225.16383	4.3
229.15926	6.2
231.17426	4.7
236.50084	3.3
237.14670	6.4
239.17873	5.0
257.19052	4.5
261.18683	5.1
263.20123	3.6
283.71005	3.2
287.20306	3.3
349.25076	4.0
367.26541	4.8
385.27487	9.1
393.31656	7.1
403.29929	8.0
411.32553	9.2
421.30960	25.7
427.31918	5.0
439.32083	29.2
457.33084	100.0
458.33575	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	457.3672
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
51.58858	1.7
53.03944	2.1
53.70736	1.5
55.05503	12.9
57.03426	2.0
57.07054	3.3
67.05492	19.4
68.52048	1.7
69.00526	1.4
69.07064	17.9
69.51624	13.6
79.05490	13.7
81.07046	32.7
83.08604	12.0
85.06530	2.5
85.33004	1.6
91.05463	11.3
93.07032	34.3
93.07590	2.8
95.04970	2.5
95.08593	78.8
97.06475	2.1
97.10151	5.7
98.20708	3.2
105.07007	25.3
107.08578	56.0
108.08820	2.0
109.09400	3.6
109.10143	53.8
109.10883	3.5
111.08060	2.0
111.11681	2.0
112.99976	1.7
117.07007	2.4
119.08565	55.6
121.10129	55.9
122.10504	2.5
123.08076	2.0
123.11695	18.0
125.05983	1.7
125.09644	1.9
131.08589	3.8
133.10115	43.1
135.08012	2.1
135.11676	46.0
137.09669	2.2
137.13249	4.1
139.07513	1.6
140.34633	1.5
145.10103	10.3
147.11667	39.6
148.18193	1.6
149.13243	23.7
153.09067	7.4
157.10088	3.0
159.11670	6.5
161.13263	21.5
163.14812	36.1
165.09070	2.7
165.12796	2.3
167.10684	4.3
169.02550	1.7
171.11778	1.9
173.13258	5.7
175.14804	20.9
176.15169	1.8
177.16379	16.5
179.14374	2.1
186.10957	1.5
187.14822	11.2
189.16360	100.0
190.16748	2.8
191.17931	87.8
192.18352	2.6
193.12268	2.2
201.16371	16.4
203.17932	93.1
204.18272	4.1
205.15834	1.9
205.19511	15.2
207.17426	8.0
213.16373	2.6
215.17917	9.2
217.19487	15.0
219.21211	1.7
221.15376	2.3
221.19054	7.4
229.19481	6.4
231.17511	1.8
231.21054	18.1
232.21512	2.1
235.16855	16.4
245.22662	2.7
247.16885	9.6
249.18465	27.1
257.22699	5.9
259.24146	2.0
261.18478	2.6
271.24173	3.2
275.19882	2.8
277.21548	2.4
303.23264	1.6
317.24744	2.6
393.35138	13.1
411.36160	56.3
412.36606	4.5
421.35278	1.8
439.35733	41.1
440.36215	3.5
453.22122	1.8
457.36795	87.5
458.37079	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	457.367
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
55.05513	5.0
56.18606	3.9
58.17953	4.0
62.76636	4.4
63.83312	4.2
67.05493	18.1
69.07062	14.2
69.18220	3.6
69.72993	33.2
71.17233	3.9
79.05486	10.1
81.07045	35.2
81.45126	5.0
83.08618	6.3
83.85440	4.1
91.05495	10.5
93.07034	24.8
95.08598	66.9
98.21423	8.1
105.07021	26.0
107.08572	48.0
109.10126	41.9
113.00037	10.2
119.08569	34.4
121.10149	38.0
123.11707	9.4
126.65585	4.2
131.08582	5.0
133.10110	25.5
135.11668	25.3
137.13258	4.3
145.10100	6.6
147.11661	17.5
149.13211	21.8
157.99573	4.0
159.11688	9.6
161.13275	17.7
163.11166	4.7
163.14784	41.6
169.02612	10.8
173.13226	5.2
175.14789	14.5
177.16328	24.2
179.14311	5.4
187.14783	9.4
189.16380	35.9
191.17976	32.6
199.14906	3.9
201.16350	12.1
203.17946	41.1
205.19470	7.9
207.17542	5.8
215.17932	7.2
217.19449	6.5
221.18912	9.6
231.21042	8.1
249.18504	4.9
391.82071	4.4
393.34949	14.6
411.36157	100.0
412.36279	5.9
439.36111	23.5
451.46594	5.9
457.31958	5.1
457.36929	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	457.3672
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
53.03950	0.6
55.01872	0.8
55.05490	3.4
57.07064	1.0
65.51793	0.6
67.05495	5.6
69.03415	1.3
69.07056	5.6
69.44522	6.0
70.19135	0.6
73.95165	0.5
79.05480	5.2
79.05884	0.6
80.28278	0.5
81.07047	12.3
83.04963	3.2
83.08612	2.9
85.06546	1.3
91.05470	5.1
93.07034	11.4
93.07587	0.8
95.04974	2.2
95.08591	20.2
95.09192	1.0
96.08920	0.7
97.06542	2.0
97.10189	1.3
105.07020	12.0
107.07828	1.0
107.08575	20.0
109.06543	1.6
109.10145	11.8
109.10857	0.7
111.08105	1.5
117.06998	1.2
119.08558	16.4
121.06545	1.7
121.10130	13.4
121.10962	0.7
122.91692	0.5
123.08098	2.0
123.11687	5.1
123.12401	0.5
125.09637	3.9
129.07018	1.1
131.08546	3.9
133.06490	1.1
133.10107	12.5
134.10503	1.0
135.08055	3.6
135.11664	11.5
136.92032	0.6
137.09659	1.4
137.13304	2.0
139.07535	0.8
139.11143	0.6
141.07152	0.6
143.08563	2.7
144.17564	0.5
145.10080	5.8
147.08073	1.5
147.11667	8.5
149.09579	4.9
149.13226	5.2
151.11221	0.8
155.08534	0.6
157.10104	2.9
159.11642	4.1
161.09569	3.5
161.13242	4.3
163.11205	1.3
163.14816	4.0
169.10199	0.8
171.11749	2.1
173.09673	0.7
173.13231	4.7
175.11273	1.8
175.14798	8.2
175.16135	0.7
177.16354	4.4
179.14369	0.8
183.11687	1.0
185.13208	3.0
187.11359	0.7
187.14810	3.9
189.12805	1.8
189.16356	8.8
191.18030	2.4
197.13254	1.0
199.14894	2.1
201.12773	1.1
201.16455	1.9
203.14290	3.2
203.17899	4.8
204.18285	0.9
205.16048	1.7
206.16380	0.8
211.14845	1.1
213.16463	2.3
215.14417	1.2
215.17879	0.7
217.16000	2.3
219.17445	0.7
221.15411	0.7
221.19104	2.0
225.16446	1.2
227.17981	1.2
229.15930	1.3
229.19420	0.7
231.17484	1.2
235.17009	3.9
241.19533	1.0
243.17502	0.7
249.18663	1.6
259.20667	0.8
267.53223	0.7
273.22134	0.9
285.22211	2.0
289.18024	0.7
303.23199	0.9
311.23987	0.6
375.30545	0.7
393.31689	1.3
409.34967	0.9
410.45667	0.6
421.30569	1.2
421.35394	1.4
439.32132	5.0
439.37430	3.8
440.31702	0.6
457.37009	100.0
458.37454	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	457.3672
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
51.38854	0.5
53.03931	0.7
55.05507	3.2
57.07068	0.9
59.04991	0.5
65.03938	0.6
66.97111	0.4
67.05496	4.2
67.93887	0.3
69.03430	0.8
69.07061	4.0
69.87562	0.4
70.07426	0.4
70.96059	1.2
77.03958	0.4
79.05481	3.8
81.07050	10.0
83.04971	4.6
83.08606	2.5
85.06551	0.7
91.05464	3.3
93.07034	8.7
95.04969	2.1
95.08595	15.8
97.06541	1.4
97.10175	1.4
99.08080	0.6
105.07013	10.0
105.07719	0.6
107.08575	14.4
109.06524	1.4
109.10142	10.5
111.08078	1.3
117.07012	1.0
119.08565	10.0
121.06517	1.0
121.10131	9.9
121.10979	0.7
123.08073	1.7
123.11684	3.8
125.09640	1.2
129.07004	0.6
131.08537	3.2
133.06514	0.7
133.10110	9.4
135.08064	2.2
135.11682	10.0
137.09589	0.8
137.13263	1.5
139.11214	0.8
143.08507	2.4
145.10123	4.3
147.08057	1.3
147.11655	5.2
149.09593	3.5
149.13260	4.0
153.12827	0.6
155.08585	0.9
156.09357	0.6
157.10098	2.9
158.10867	0.4
159.08069	0.5
159.11646	3.6
160.12314	0.4
161.09608	2.9
161.13235	3.7
163.11218	1.2
163.14787	2.9
165.12711	0.4
169.10114	0.6
169.71107	0.4
171.11591	2.6
173.13220	3.8
175.11269	1.8
175.14809	8.6
177.12772	0.6
177.16367	6.2
179.14378	0.8
183.11699	1.0
185.13255	2.5
187.11165	0.7
187.14789	4.1
189.12791	0.8
189.16341	6.5
190.16718	0.6
191.14325	0.6
191.17970	3.2
193.15872	0.6
198.32840	0.5
199.14844	1.3
201.12616	0.8
201.16425	1.8
203.14291	2.4
203.17909	6.0
205.15874	0.5
207.17488	1.8
211.14787	0.9
213.16373	2.5
215.14357	0.5
215.17961	0.8
217.15964	1.8
219.17325	0.5
221.18910	2.5
225.16331	0.5
227.18005	1.4
229.15866	0.6
229.19557	0.7
231.17419	2.3
235.16878	2.1
241.19537	0.9
243.21199	0.4
245.19106	0.9
249.18425	3.4
255.21095	0.5
257.22488	0.8
259.20673	1.1
267.21088	0.6
273.22165	1.1
274.81952	0.5
285.22189	1.2
303.23312	1.6
350.48602	0.4
360.80713	0.4
421.34665	0.8
427.35919	0.8
439.36148	5.4
457.36838	100.0
458.37277	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	10.3
57.03413	1.6
57.07035	4.3
67.05496	16.5
69.07056	16.9
69.45305	2.0
69.45712	13.5
71.04941	1.5
71.08570	1.3
79.05059	1.5
79.05459	12.8
79.90164	1.5
81.07042	37.0
83.04935	1.9
83.08601	9.2
85.06483	2.6
91.05469	13.5
93.07030	26.2
95.04930	2.4
95.08589	63.5
97.06466	5.0
97.10117	4.6
99.08098	7.8
105.07017	25.8
107.08578	42.1
108.08850	1.8
109.06441	4.3
109.10138	37.7
111.04419	1.5
111.08010	5.2
115.05391	1.6
117.06927	4.0
119.07767	2.7
119.08559	44.7
120.08818	2.1
121.06428	1.8
121.10122	33.2
123.07990	4.3
123.10915	1.6
123.11687	18.1
125.09605	2.1
127.07478	1.3
128.06177	1.7
129.06950	3.4
131.08537	13.8
133.10106	33.4
135.08034	3.2
135.11667	29.6
137.09550	3.9
137.13240	12.0
139.11105	2.3
141.06953	1.5
142.07713	2.2
143.08493	6.8
145.10109	16.1
147.07962	6.0
147.10616	1.6
147.11668	24.3
149.09608	2.7
149.13240	13.8
151.11121	3.2
151.14790	1.7
153.09012	5.0
155.08437	3.8
157.10056	9.6
158.10669	1.4
159.07971	3.1
159.10562	1.4
159.11673	17.2
161.09627	6.8
161.13206	13.3
163.11136	2.9
163.14789	15.3
165.12659	2.9
167.08470	1.8
167.10571	1.8
169.10031	2.3
171.11678	9.9
173.09523	2.9
173.13228	15.1
174.13770	1.4
174.26474	1.4
175.11089	4.0
175.14824	13.1
177.12651	2.8
177.16405	10.2
179.14204	1.7
179.17831	2.0
183.11554	6.2
185.13258	6.8
187.13574	1.3
187.14771	12.6
188.15294	1.7
189.12665	2.9
189.16360	34.0
191.14212	2.3
191.16348	2.3
191.17915	30.7
195.13680	2.6
196.12234	1.5
197.13101	5.5
199.14684	6.3
201.12596	6.1
201.16383	10.4
203.14195	3.8
203.16203	1.8
203.17926	30.1
205.15765	5.9
205.19363	4.5
207.17322	4.5
209.13138	3.1
211.14719	2.3
213.16202	3.0
215.14171	4.6
215.17879	6.6
217.15715	3.9
217.19376	5.1
219.13640	4.6
221.18738	2.9
225.16429	2.1
227.17676	1.6
229.15872	2.3
229.19354	3.1
231.17303	4.5
231.20842	4.1
233.15210	5.7
233.18739	1.7
235.16782	6.0
239.17795	2.3
241.15753	1.8
241.19386	1.7
243.21030	1.8
247.16832	3.3
249.18402	9.5
257.22409	2.2
258.73944	1.7
261.18420	2.8
275.19937	1.7
287.19876	2.0
289.21478	2.0
301.21210	1.9
315.23059	1.8
339.30154	2.3
343.26370	1.9
393.34784	5.3
397.30521	2.9
403.29715	3.4
411.36334	21.5
412.36566	2.1
415.31653	5.7
421.30771	10.7
439.30826	18.8
439.35938	7.0
457.32639	100.0
458.33041	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	457.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11062	1.5
55.05508	11.5
57.07042	4.4
63.92550	1.3
65.03897	2.6
67.05499	18.4
69.03409	1.5
69.07063	17.2
71.04934	1.5
71.31683	3.4
71.32029	1.8
79.05481	12.0
81.07047	41.8
83.04941	2.6
83.08592	8.9
84.98490	1.4
85.06482	2.8
91.05463	14.4
93.07031	29.6
95.04926	3.9
95.08597	72.6
97.06464	4.6
97.10108	4.3
97.61928	1.4
99.04469	1.9
99.08080	8.6
103.91263	1.4
105.07027	28.3
107.08582	45.6
109.06487	3.6
109.10143	35.7
110.81933	1.3
111.08064	2.6
111.11696	1.9
112.99903	1.9
117.06948	4.6
119.08563	43.1
121.06456	3.8
121.10131	38.2
123.08002	3.8
123.11687	20.8
125.09558	3.4
129.06952	2.9
131.08546	13.2
133.09216	2.4
133.10107	36.5
134.10352	1.5
135.07980	6.4
135.11676	26.0
136.12038	1.8
137.09535	5.1
137.13240	13.6
139.07362	1.6
143.08530	8.5
145.10095	17.2
147.07959	6.1
147.11665	25.0
149.09523	5.3
149.13216	15.3
151.07477	2.2
151.11124	2.8
153.09029	3.2
153.12724	2.4
155.08479	2.1
157.10141	7.4
159.07982	3.4
159.10597	1.7
159.11664	20.1
160.12033	1.9
161.09486	5.1
161.13249	13.6
163.11104	3.4
163.14787	17.0
165.08978	2.0
169.10031	3.3
171.11659	9.7
173.09521	3.6
173.13231	11.3
175.11064	3.8
175.14838	14.5
177.12625	2.2
177.16251	6.5
179.10490	1.7
179.17825	1.7
181.10031	2.2
183.11485	4.3
185.13139	5.2
187.10994	2.7
187.14758	12.4
189.12599	3.5
189.16362	39.1
190.16710	2.2
191.14227	3.3
191.16306	2.4
191.17912	30.7
192.18256	1.8
197.13118	4.6
199.14656	5.1
201.12579	6.8
201.16347	9.5
203.14206	3.2
203.16185	2.2
203.17917	31.3
205.15723	5.4
205.19366	4.2
207.17245	3.7
211.14761	2.8
213.12592	2.7
213.16214	4.1
215.14130	5.2
215.17772	6.0
217.15762	3.9
217.19328	6.3
219.13757	3.5
223.16721	1.9
225.16467	1.8
229.19370	2.0
231.17238	4.5
231.20921	5.3
233.15176	7.1
233.18993	2.0
235.16782	6.2
239.17760	1.9
241.19244	2.5
243.17427	2.1
243.20845	2.5
245.22398	2.5
247.16832	3.6
249.18481	10.3
255.20943	1.9
261.18500	2.1
265.19321	3.0
269.18796	2.6
283.20346	3.0
287.19724	2.6
289.21295	1.7
289.91742	1.6
301.21454	2.4
309.21814	1.9
315.23053	2.4
343.26041	2.5
349.25012	1.6
393.35178	3.0
397.30911	4.2
403.29745	2.5
411.36288	22.2
412.36533	2.7
415.31757	5.2
421.30734	9.0
439.30859	17.2
439.35925	6.6
457.32608	100.0
458.33231	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	457.367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.0
55.05508	19.6
57.03426	4.0
57.07065	4.5
59.04973	3.4
65.03922	5.5
67.05185	3.5
67.05495	36.7
69.03404	2.7
69.07065	32.2
71.04977	4.0
71.71561	4.5
79.05488	30.2
81.03382	4.3
81.07043	66.2
83.04960	8.2
83.08596	16.1
83.22374	2.6
85.06521	7.2
91.00607	2.8
91.05467	31.6
93.07032	64.4
95.04928	10.4
95.08003	5.9
95.08595	100.0
97.02844	3.3
97.06513	11.9
97.10161	8.2
99.08080	11.9
105.07016	69.7
107.08577	90.3
109.06492	11.9
109.10130	60.9
110.10466	3.7
111.08057	10.9
113.05965	5.0
117.06991	11.5
119.08571	93.5
120.08910	4.3
121.06477	6.0
121.10127	81.3
123.08006	14.4
123.11706	28.4
125.09628	5.4
129.06981	5.5
131.08548	36.5
133.10121	64.6
135.08046	11.8
135.11678	55.2
137.09607	9.3
137.13225	9.5
142.07784	5.5
143.08510	17.7
145.10098	43.4
147.07993	8.5
147.11653	42.9
149.09584	10.3
149.13228	24.5
151.11136	4.6
155.08406	6.5
156.09315	4.3
157.10127	24.8
159.08012	3.4
159.11664	44.1
161.09578	10.2
161.13219	38.1
163.11169	10.6
163.14810	26.6
165.09094	6.3
165.12718	5.7
169.10104	11.4
170.10880	3.5
171.11693	20.1
173.09737	3.3
173.13252	38.2
175.11140	8.9
175.14807	35.6
177.12782	8.8
177.16347	12.5
179.14223	5.8
181.12192	3.0
183.11696	10.5
185.13245	18.2
187.14775	35.6
189.12700	9.4
189.16350	33.4
191.14258	11.9
191.17943	47.8
193.15768	4.5
195.11696	3.1
197.13185	7.0
199.14792	18.9
201.12723	8.0
201.16385	16.0
203.14276	12.6
203.17938	30.7
205.15836	21.9
207.17331	13.2
211.14832	7.2
213.16284	16.5
215.14255	4.7
215.17905	6.2
217.12325	4.2
217.15845	21.3
217.19493	10.1
219.13768	9.9
219.17384	5.0
221.15407	4.8
223.16873	5.7
225.16386	4.2
227.17953	4.1
229.15837	5.3
229.19572	4.7
231.13741	4.1
231.17450	13.5
231.20979	4.7
235.16888	6.1
239.17986	3.7
241.19501	7.3
243.21176	4.1
249.18472	11.6
258.13889	3.5
267.21121	4.2
271.20584	3.1
273.18219	3.1
283.20242	3.2
336.24359	3.0
375.30496	2.9
393.31174	4.2
397.34488	11.1
399.32751	5.1
403.29437	3.8
411.32025	4.5
411.36502	4.1
421.30276	6.6
421.34781	9.6
439.31207	15.3
439.35666	38.2
440.49222	2.8
457.31949	49.6
457.37463	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	457.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.1
55.05496	19.4
57.03424	4.6
57.07066	6.5
57.60645	3.0
59.51764	2.5
67.05489	34.0
69.03421	3.2
69.07059	36.2
71.04988	2.5
71.71359	2.4
79.05481	23.6
81.03446	2.9
81.06606	4.5
81.07043	64.0
82.95806	2.6
83.04963	7.1
83.08597	14.4
85.06532	7.4
91.05453	31.2
93.07024	55.9
95.04966	13.9
95.08002	5.4
95.08592	92.5
97.06495	13.9
97.10130	4.9
99.08088	13.0
105.06326	4.8
105.07011	64.5
107.08574	79.9
109.06502	14.9
109.10134	57.9
111.08092	12.8
113.05967	4.3
117.06996	10.4
119.08558	100.0
120.08897	2.8
121.06497	4.4
121.10116	65.1
122.10435	3.1
123.08049	10.5
123.11710	23.1
125.09668	3.9
129.07004	8.6
130.07770	3.6
131.04941	3.1
131.08536	39.3
133.06471	4.4
133.10104	69.2
135.08070	13.3
135.11665	52.2
137.05942	2.9
137.09586	7.8
137.13203	7.6
142.07744	5.2
143.08534	16.9
145.10098	50.7
146.10527	2.9
147.08037	7.9
147.11655	42.8
149.05925	6.8
149.09566	9.4
149.13246	25.3
151.11108	6.9
151.14830	3.5
155.08537	4.6
156.09293	5.3
157.10095	26.3
159.08043	6.2
159.11658	44.9
161.09631	5.4
161.13240	40.4
163.11165	5.0
163.14795	22.7
165.12717	4.7
167.08614	3.0
169.10091	9.5
171.11661	18.0
172.12262	3.0
173.13222	41.4
175.11159	8.5
175.14804	30.7
177.12671	5.4
177.16322	13.9
179.14339	5.3
181.10126	3.7
183.11630	11.2
185.13229	20.2
187.14813	38.7
189.00568	3.2
189.12761	7.9
189.16367	31.4
191.14243	9.4
191.17931	41.2
193.15909	3.4
195.11696	6.3
197.13245	8.1
199.14825	21.2
201.12741	9.3
201.16380	13.8
203.14299	14.2
203.17975	19.8
205.15860	21.1
207.13632	4.1
207.17375	9.1
209.13176	3.7
211.14812	6.7
213.16289	14.6
215.14304	7.6
215.17917	6.8
217.12213	3.6
217.15903	20.3
217.19484	11.0
219.13754	14.6
219.17430	10.7
221.15320	6.9
221.18901	3.0
223.14871	4.8
223.16756	13.0
225.16286	4.6
227.17970	4.0
229.15869	5.2
229.19527	7.4
231.17422	16.1
235.16934	7.4
241.19391	4.1
243.20972	4.2
245.18985	4.8
249.18500	7.0
253.19347	5.4
259.20685	3.2
263.18039	4.0
271.20346	5.5
283.20465	5.1
285.21939	3.3
299.23630	3.3
395.33212	5.0
397.34479	9.6
399.32709	4.7
403.29678	5.9
421.29919	13.0
421.34860	9.9
439.31378	19.2
439.35721	31.0
440.31952	4.9
457.32312	72.3
457.50656	3.1
458.33133	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01563	0.4
51.02380	0.4
53.03929	1.5
54.64008	0.3
55.01857	1.3
55.05494	0.8
57.03407	0.6
58.58900	0.3
63.02349	0.8
67.05476	1.4
69.03419	3.2
71.01337	1.2
71.04979	1.9
77.03893	0.5
79.05486	3.0
81.03403	3.3
81.07036	1.9
83.04958	2.0
83.08597	0.6
85.02896	3.0
86.09675	1.2
89.03902	9.0
91.05458	1.7
93.07027	1.3
95.04948	2.1
95.08588	0.6
97.02879	7.8
99.04450	2.3
103.05437	2.0
105.03356	0.8
105.04496	0.4
105.06996	0.9
107.04934	7.9
107.08557	1.3
109.02840	0.9
109.06512	0.4
109.10135	0.4
111.04433	2.4
115.03905	0.8
115.05414	1.6
117.03355	9.8
117.06982	0.8
119.04942	0.9
119.08598	0.3
121.06461	0.5
121.10091	0.7
123.04411	23.3
123.11692	0.5
127.03888	3.3
129.07007	1.7
131.04909	2.4
131.08548	0.7
133.02829	2.1
133.06487	0.3
133.10139	0.3
135.04391	26.7
135.11684	0.5
136.07582	0.4
137.02318	1.7
137.03229	0.3
137.05951	1.9
139.03896	1.6
141.06958	1.9
143.04865	1.7
145.02827	12.6
145.06456	1.1
145.95204	0.4
147.04382	3.5
149.05939	2.7
149.09593	0.4
151.03842	1.7
153.05479	1.8
155.04829	0.5
157.06447	1.3
159.04401	0.7
159.08011	0.7
161.05956	3.7
163.03874	100.0
164.04189	1.7
165.05447	2.7
169.04929	1.1
169.06470	2.5
173.05971	2.3
175.03857	0.4
175.07520	1.0
177.05423	1.8
181.04918	2.2
184.05127	0.4
185.05907	1.7
187.03889	0.9
187.07591	2.4
189.05508	1.7
191.07021	0.4
193.04941	0.5
195.07892	0.4
197.05948	3.2
201.05421	3.3
203.07011	2.4
205.04968	1.2
205.06628	0.4
213.05495	0.6
215.06996	2.6
217.04926	0.5
219.06430	0.5
231.06502	4.5
233.08008	1.0
243.06471	2.2
249.07553	0.7
251.06949	0.7
261.07504	2.2
269.15366	0.9
279.08655	0.8
297.14624	0.3
423.33408	0.4
456.80627	0.4
459.12726	3.6
459.18729	0.5
459.35190	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	459.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.4
57.03427	0.4
58.74950	0.4
69.03409	1.1
70.06571	1.9
70.69247	1.0
70.69606	0.8
72.08135	0.5
74.06052	1.1
79.05479	0.5
81.03399	0.9
81.07040	0.8
84.04494	0.9
84.08123	0.7
85.02890	1.5
86.09698	1.9
97.02834	1.0
102.05515	0.6
102.84796	0.5
105.07020	0.4
107.08603	0.5
109.02870	0.5
109.05093	0.6
109.10158	0.5
120.06550	0.7
121.31863	0.4
127.03870	0.5
129.10199	0.5
134.04607	8.7
135.02994	1.0
137.09621	0.4
140.02747	0.6
147.04314	0.5
151.07500	0.5
152.05719	2.2
152.06854	0.5
152.83209	0.4
163.03882	0.7
165.02290	9.1
167.02686	0.7
178.03630	1.1
182.04932	81.9
183.05167	0.7
193.00476	0.8
196.08501	0.7
208.02849	100.0
209.03006	1.4
277.11127	0.6
314.08905	0.8
327.08646	50.4
328.08902	0.8
340.06931	0.6
349.24881	0.5
445.33627	0.4
459.18140	1.4
472.72098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.01868	10.6
55.05504	30.8
57.03432	10.5
57.07063	2.9
59.04980	1.4
65.03934	3.6
67.05500	46.3
69.03409	8.5
69.07060	23.4
69.62895	10.5
71.04985	4.1
78.89893	1.2
79.05022	1.9
79.05483	38.2
80.05777	1.7
81.03411	19.7
81.07047	45.5
82.07368	1.4
83.04997	7.8
83.08625	13.5
85.02890	2.3
85.06542	3.6
91.05471	45.4
93.07033	35.4
95.01292	2.6
95.04956	41.5
95.08598	30.6
97.02889	2.7
97.06532	8.5
97.10161	11.4
99.04459	1.4
99.08069	2.7
103.05458	3.7
105.07020	41.5
105.07728	2.7
107.04939	17.9
107.08581	26.2
108.20140	1.2
109.02870	1.7
109.06499	6.8
109.10144	16.8
111.04459	3.9
111.08067	4.6
113.00002	100.0
115.05421	6.3
117.07000	20.3
119.04938	3.4
119.08569	31.1
121.06484	11.4
121.10114	14.9
123.04414	3.9
123.08047	9.1
123.10873	1.3
123.11707	4.9
125.09621	10.2
127.03909	2.0
128.06206	9.3
129.05528	1.4
129.06978	19.2
130.07800	3.8
131.01019	2.8
131.04915	2.9
131.08543	27.3
133.06491	9.8
133.10112	16.6
135.04387	2.8
135.08029	7.4
135.11642	8.2
137.06007	1.7
137.09619	5.6
141.06972	11.3
142.07779	6.4
143.08554	22.6
145.06438	8.3
145.10101	22.0
146.07204	1.3
147.08043	13.8
147.11652	11.5
148.49825	1.5
149.09602	6.0
149.13229	5.8
151.07521	2.3
151.11179	2.1
152.06226	1.8
153.06987	5.8
153.09079	12.4
154.07739	6.8
155.08525	19.8
156.09358	4.1
157.06487	4.0
157.10149	12.4
158.07176	1.9
159.08064	8.1
159.11685	12.3
161.05969	3.9
161.09621	8.8
161.13278	5.4
163.03894	3.6
163.11166	7.1
163.14746	2.7
165.06966	5.7
165.09093	12.4
166.07799	4.8
167.08545	13.3
168.09348	3.8
169.02606	53.8
169.06487	4.7
169.10077	16.6
171.08023	6.5
171.10281	1.8
171.11647	13.5
173.09595	4.0
173.13272	4.6
175.07571	2.4
175.11147	7.2
175.14857	3.8
177.09233	1.5
177.12822	3.1
177.16371	2.7
178.07707	1.5
179.08553	7.7
180.09320	2.6
181.06516	4.1
181.10080	12.5
182.07289	2.5
182.10938	1.6
183.08058	8.0
183.11688	13.2
185.09624	5.8
185.13206	8.2
187.03674	4.7
187.07483	2.7
187.11156	4.9
187.14818	3.7
189.09131	1.5
189.11194	4.5
189.12785	4.3
189.16402	2.3
189.82733	1.3
191.08459	1.6
191.14174	1.9
191.17960	3.1
192.09319	1.6
193.10161	4.4
193.12128	2.4
194.11012	1.8
195.08034	7.0
195.11713	10.9
196.08794	2.5
197.09647	7.8
197.13237	7.9
199.11176	4.1
199.14816	4.1
201.09111	1.6
201.12698	2.9
201.16437	1.8
203.10548	1.7
203.14291	3.6
205.10248	2.7
205.12279	4.3
205.15875	3.9
207.11687	5.9
207.13530	1.4
209.09622	5.1
209.13248	5.3
211.11162	10.0
211.14871	3.5
213.12738	2.8
213.16406	3.4
215.10646	1.4
215.14275	2.8
217.15878	2.3
217.19444	1.4
219.11761	2.1
219.13872	1.8
219.17502	2.0
221.13228	4.6
221.15248	1.5
223.11197	4.0
223.13094	2.2
223.14980	3.0
224.11972	1.7
225.12727	4.8
225.16364	2.3
227.10692	2.3
227.12672	13.4
227.14413	1.4
227.17924	2.7
229.12222	1.6
231.17496	1.8
233.13333	1.4
235.14870	2.7
237.12643	6.7
237.16338	2.5
239.14305	3.5
239.18059	1.4
241.12407	1.3
245.18985	3.2
251.14285	4.1
255.13824	2.0
255.17395	6.2
263.14032	1.6
265.15707	2.0
273.15286	2.4
273.18448	42.2
279.13925	1.9
291.19507	27.5
292.20062	1.3
293.22385	1.6
297.22089	1.4
307.20514	3.0
309.22061	2.1
317.21335	1.9
319.20474	1.6
321.10913	3.7
321.22147	4.7
325.21823	2.4
329.21179	1.8
337.21451	3.5
339.23157	7.6
347.22162	28.4
348.22601	1.8
349.21429	17.5
361.23407	1.6
365.23242	13.2
367.22647	24.8
375.25085	1.4
385.23599	8.1
413.26892	1.7
423.24899	3.2
423.32382	3.9
427.18774	9.8
429.26437	8.4
441.20267	43.6
441.26343	59.7
441.33145	7.0
442.20703	3.8
442.26743	3.6
459.21283	36.0
459.27390	55.7
459.34460	17.5
459.70517	1.4
460.21829	2.0
460.27847	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	11.2
55.01856	13.7
55.05506	18.4
57.03429	25.5
59.01699	2.9
59.04986	4.2
67.05488	26.2
69.03419	68.4
69.07054	12.1
69.46358	29.7
70.93835	3.4
71.01326	3.8
71.04988	22.7
73.02903	7.2
78.97852	3.8
79.05479	30.4
80.04302	3.9
81.03405	100.0
81.07062	25.0
83.01313	6.8
83.04972	36.0
83.08601	5.9
85.02896	25.2
87.04444	4.5
89.06023	7.9
91.05472	19.6
93.07029	40.9
95.04938	12.7
95.08597	23.7
97.02876	70.2
97.06516	14.0
97.10086	3.6
98.21467	8.5
99.04421	18.5
104.12004	3.5
105.07009	10.2
107.04989	17.6
107.08607	18.1
109.02869	28.5
109.06507	7.4
109.10120	12.6
111.04414	27.3
111.08067	7.5
111.11759	4.2
117.07017	8.9
119.08524	18.5
121.06506	9.1
121.10127	19.0
123.08039	7.4
123.11722	4.9
125.05997	6.0
127.03905	29.6
129.05449	9.6
129.06972	6.0
131.08514	9.9
133.10124	11.5
135.11658	32.2
145.04776	3.7
145.10088	22.9
145.47490	3.3
147.08066	5.5
147.11667	7.9
149.09624	6.6
153.12723	32.7
157.10172	3.5
159.11809	4.6
161.09615	4.6
163.11174	32.9
165.09061	5.1
173.04457	17.0
173.09610	11.0
181.12238	22.9
189.16396	4.8
191.10646	22.8
191.17967	4.5
209.11710	32.6
223.13326	14.4
227.12740	84.4
241.14281	40.1
259.15457	5.7
298.93890	4.0
313.42770	3.7
315.17896	6.5
353.15839	14.3
399.50745	3.1
423.32462	4.4
427.19479	5.9
459.22159	78.3
459.30582	11.7
459.36490	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	459.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56117	0.8
53.03938	5.2
55.01866	9.9
55.05503	27.5
57.03425	6.2
63.41956	1.0
65.03923	2.6
66.62822	1.0
67.05493	33.1
69.03409	4.8
69.07052	8.0
70.04459	5.5
71.04980	3.1
75.91827	0.9
77.03906	0.9
79.05480	34.6
81.03402	100.0
81.07038	28.5
83.04969	6.9
83.08601	26.8
83.48287	1.0
85.02882	1.2
85.06509	1.6
91.05462	35.5
93.07025	20.2
95.04949	34.1
95.08588	17.0
97.02854	3.1
97.06499	3.9
97.10155	14.6
98.20661	0.9
99.08086	2.6
103.05462	2.1
105.07011	27.9
107.04940	17.2
107.08578	16.3
109.02868	1.5
109.06493	6.6
109.10141	9.1
111.04420	2.4
111.08074	8.1
115.05427	4.9
117.07007	11.3
119.04922	1.8
119.08556	20.5
121.06480	12.9
121.10130	10.1
123.04408	3.9
123.08033	6.0
125.06017	1.2
125.09621	11.0
128.06221	4.2
129.06979	18.1
131.04887	6.0
131.08545	19.7
133.06477	10.7
133.10112	9.1
135.08055	5.0
135.11635	2.8
137.05983	1.2
137.09595	2.8
141.06973	4.5
142.07771	4.2
143.08537	7.2
144.05704	2.3
145.06453	28.7
145.10114	7.8
147.04367	1.7
147.08017	9.7
147.11661	12.0
149.09578	6.8
153.07019	1.1
153.09090	3.8
153.12712	1.3
155.08546	6.1
157.06454	4.2
157.10088	16.2
159.08032	5.4
159.11723	2.5
161.05986	4.9
161.09627	4.3
163.03848	2.0
163.11131	2.0
165.09117	1.4
165.12759	2.3
167.08560	3.9
169.06476	2.3
169.10110	2.8
171.08025	6.9
171.10249	1.1
171.11674	3.8
173.09668	3.5
173.13208	1.8
175.11169	13.6
177.12674	1.1
181.10077	3.3
183.07957	2.0
183.11662	2.1
185.09593	1.8
185.13231	1.8
187.11188	1.2
187.14836	2.1
189.09502	1.0
189.11212	5.6
189.12782	2.5
193.12210	58.1
194.12531	1.4
195.08037	2.3
195.11694	4.0
197.09592	2.0
197.13228	4.7
199.11156	3.8
199.14816	1.2
205.12305	2.0
207.11621	1.3
209.09656	1.4
209.13248	2.1
211.11130	2.4
211.13080	1.6
213.12738	2.8
213.16273	1.2
215.14342	3.2
217.12297	1.2
223.11211	1.4
225.12743	2.1
227.14319	3.4
231.13844	2.0
233.15393	3.4
237.12756	4.0
239.14212	1.5
243.13718	1.6
245.15414	1.9
249.14816	5.3
255.13710	7.4
259.13263	1.4
261.10342	1.1
271.16913	1.2
273.14783	17.3
274.15323	1.2
281.15289	1.9
283.17041	1.6
287.16400	2.9
289.18161	1.6
299.16492	1.3
311.16351	1.7
321.22418	1.1
331.20566	1.7
332.82608	1.0
339.23154	6.0
349.21588	17.1
350.21872	1.5
357.23993	5.4
367.22647	40.5
368.23065	2.7
375.67670	1.0
385.23679	35.0
386.24030	2.4
403.24710	8.5
405.24319	2.1
423.25262	2.3
441.26361	6.7
441.32114	1.5
459.27356	96.5
460.27853	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	459.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
55.01862	8.3
55.05504	28.5
56.05804	1.1
57.03436	5.4
57.07058	1.3
59.04974	1.0
64.30426	0.8
65.03928	3.0
67.05138	2.1
67.05497	38.8
69.03429	5.8
69.07064	9.9
69.36738	10.4
69.37151	1.1
71.04985	3.5
77.03905	1.0
79.05482	44.9
81.03408	80.4
81.07046	34.9
82.03723	1.0
83.04971	13.3
83.08112	1.2
83.08610	24.6
85.02893	1.4
85.06520	1.6
91.05470	47.8
93.07028	23.2
94.07355	1.0
95.04961	29.5
95.08597	14.8
97.02895	2.2
97.06493	5.0
97.10159	13.9
98.20714	1.8
99.08131	1.2
103.05486	1.1
105.07018	32.5
107.04935	18.3
107.08583	16.3
109.02892	1.2
109.06503	6.5
109.10143	7.7
111.04427	2.5
111.08057	8.9
115.05408	4.6
117.07017	12.4
119.04954	2.2
119.08568	19.5
121.06489	11.9
121.10123	9.4
123.04416	2.5
123.08061	5.4
123.11674	1.3
125.09615	12.1
128.06216	3.3
129.06982	20.7
131.04926	5.0
131.08560	18.0
133.06467	10.2
133.10117	15.0
135.04379	1.5
135.08029	5.4
135.11714	2.3
137.06000	1.5
137.09618	2.6
141.06998	4.6
142.07784	4.1
143.08568	7.2
144.05663	2.3
145.06468	19.9
145.10092	7.5
147.04440	2.4
147.08032	11.0
147.11670	17.0
149.09589	6.6
149.13263	1.0
151.11194	1.9
153.09070	3.8
155.08569	4.8
157.06474	5.5
157.10114	13.5
159.08028	4.0
159.11688	3.2
161.06001	3.9
161.09613	3.6
161.13240	1.6
163.03926	2.4
163.11188	3.2
165.09212	1.3
165.12732	3.1
167.08560	2.8
169.06473	1.4
169.10138	4.4
171.07973	4.8
171.10379	1.0
171.11717	3.6
173.09625	3.7
173.13283	2.1
175.11168	13.5
175.14717	0.9
177.12660	1.2
179.08589	1.6
181.10107	2.1
183.07947	1.1
183.11710	2.8
185.09598	3.7
185.13228	3.4
187.11145	2.2
187.14799	2.3
189.09579	1.1
189.11218	6.8
189.12689	1.6
193.10403	1.6
193.12222	45.3
194.12611	1.2
195.07906	1.2
195.11659	4.7
197.09630	1.1
197.13249	3.7
199.11153	2.2
201.12668	1.2
203.14302	2.6
205.12198	1.6
207.11674	1.1
207.13469	1.0
209.13222	1.2
211.11194	1.1
211.13211	2.1
213.12782	3.3
215.14323	3.9
217.12260	1.4
219.13742	1.1
223.11258	1.1
223.13144	1.1
225.12747	1.8
227.14323	3.2
231.13910	1.4
233.15338	4.2
237.12788	3.6
239.14424	2.3
249.14885	4.8
255.13751	5.3
257.15341	1.5
259.13602	1.2
267.16000	2.2
271.16824	2.1
273.14853	14.2
283.16873	2.1
287.16489	2.8
289.17932	1.0
301.18018	1.0
303.21072	1.5
311.16586	1.0
321.22324	1.3
339.23227	6.1
349.21594	14.6
357.24301	6.2
367.22626	36.7
368.22864	2.6
385.23688	40.1
386.24152	2.6
398.01831	1.0
403.24713	7.1
405.24365	2.2
423.25281	2.4
441.26373	5.3
441.33246	1.8
459.27374	100.0
460.27701	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	459.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22649	1.1
53.03930	7.3
55.01867	7.7
55.05502	30.4
57.03431	5.6
57.07055	2.7
58.37609	1.2
59.04991	1.6
65.03933	2.5
67.05497	43.9
68.05812	1.2
69.03416	5.1
69.07059	13.7
71.04980	5.5
74.84056	1.0
77.06481	1.1
79.05479	40.8
81.03407	91.6
81.07043	40.5
82.03788	1.1
83.04969	10.6
83.08603	26.9
85.02905	1.8
85.06536	3.6
91.05467	48.1
91.06039	2.4
93.07030	35.0
95.04945	33.8
95.08594	22.5
97.02876	4.0
97.06528	3.5
97.10152	14.2
98.21504	1.8
99.04417	1.2
99.08084	4.0
103.05436	2.1
105.07015	55.6
107.04942	17.0
107.08573	31.1
109.02845	2.6
109.06493	8.6
109.10152	18.7
111.04418	2.5
111.08072	9.1
113.05979	1.5
115.05425	5.4
117.07000	14.6
119.04915	3.4
119.08566	35.4
121.06496	12.2
121.10130	25.4
123.04422	5.0
123.08049	8.5
123.11703	4.9
125.09625	11.4
128.06239	3.5
129.06984	19.9
129.07860	2.1
130.07802	1.5
131.04900	4.5
131.08548	23.1
133.06470	18.2
133.10097	25.1
135.04384	2.8
135.08035	7.8
135.11682	7.4
137.05995	2.3
137.09593	4.4
141.06956	6.0
142.07721	3.1
143.08519	9.2
144.05719	1.7
145.06479	23.7
145.10101	19.9
147.04424	4.2
147.08051	12.1
147.11664	18.0
149.05977	1.7
149.09599	9.8
149.13274	2.9
151.07587	2.2
151.11172	4.1
153.09074	3.0
153.12769	1.5
155.08551	6.5
157.06462	5.3
157.10103	18.2
158.07249	1.4
159.08064	6.5
159.11671	7.7
161.05959	4.3
161.09604	5.4
161.13219	3.4
163.03873	6.3
163.07642	1.3
163.11189	4.2
163.14839	4.7
165.09103	4.6
165.12770	2.2
167.08549	2.7
168.09341	1.5
169.06462	3.4
169.10120	7.5
170.10808	1.2
171.08017	5.7
171.11659	4.9
173.09604	3.4
173.13239	2.8
175.07599	1.3
175.11188	12.9
175.14798	10.9
177.12740	2.2
177.16351	5.5
181.10114	2.3
183.08041	2.7
183.11717	5.4
185.09608	3.2
185.13274	5.8
187.11182	2.3
187.14818	18.3
189.11217	5.2
189.12744	2.4
191.14445	1.7
193.12201	49.5
193.15877	5.0
194.12622	2.0
195.11737	5.9
197.09645	1.8
197.13202	4.1
199.11201	2.1
199.14815	4.1
201.12793	2.3
203.10577	1.4
203.14267	19.0
205.12277	2.2
205.15813	12.0
209.13251	1.5
211.11200	3.4
211.14894	1.3
213.12755	2.9
215.14212	5.6
216.83658	1.1
217.12169	1.6
221.15306	11.4
223.14792	2.5
223.16878	20.6
225.12767	2.3
227.14308	3.6
231.13864	1.6
233.15320	3.2
237.12778	3.4
239.14224	1.6
239.16354	2.3
249.14873	4.0
255.13684	6.0
257.15244	1.7
269.15485	2.0
273.14807	11.6
281.15286	1.5
287.16501	1.6
311.16373	1.8
321.22098	1.4
339.23154	5.7
349.21564	11.7
357.24109	4.6
367.22629	34.5
385.23682	33.4
386.24124	2.2
403.24704	7.5
405.24591	2.0
405.31116	1.8
423.25192	1.8
423.32520	3.9
441.26166	5.6
441.33527	9.9
459.27322	100.0
459.34439	18.7
460.27545	4.0
460.34262	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
53.16291	0.3
55.01863	0.3
55.05503	0.6
56.05027	2.0
57.05803	0.5
67.05487	0.9
69.03419	1.2
69.07054	7.1
69.50998	3.3
70.06582	0.3
71.04956	0.5
74.06063	5.3
74.06447	0.6
79.05471	1.3
81.03396	0.9
81.07034	1.9
83.08654	0.3
85.02885	1.2
86.09690	100.0
87.10014	1.3
89.03905	0.4
90.88446	0.3
91.05462	1.4
93.07029	1.4
95.04963	0.9
95.08561	1.5
97.02840	0.5
97.06519	0.5
98.06078	1.0
98.21434	0.7
99.04433	0.5
99.05568	0.5
105.07013	1.2
107.04916	0.6
107.07082	0.4
107.08582	1.6
107.68137	0.3
109.02846	0.8
109.06416	0.4
109.10156	0.9
111.08051	0.3
112.85075	0.3
115.05463	0.3
116.07069	0.9
117.03381	0.6
117.06953	0.3
119.04942	0.4
119.08582	1.7
120.08856	0.3
121.02837	0.5
121.06477	0.4
121.10125	1.4
123.04394	2.0
123.11680	0.6
126.05482	5.3
127.03915	0.8
131.04903	0.3
131.08582	0.8
131.42267	0.3
132.10176	4.8
133.02827	0.5
133.10094	0.8
133.70297	0.4
135.04398	1.7
135.11700	0.5
137.05956	0.6
141.06964	0.4
143.08485	0.5
144.06575	0.6
145.02817	1.1
145.10124	0.6
147.04388	1.1
147.11646	0.7
149.05960	0.5
149.09650	0.3
149.13199	0.4
150.79639	0.3
151.03891	0.8
151.07544	0.5
153.06744	0.4
157.13309	3.1
159.11758	0.5
160.59456	0.3
161.05940	0.5
161.09476	0.4
163.03879	6.4
165.05629	0.4
165.09149	0.5
167.07178	0.4
171.11761	0.4
177.05411	0.5
178.50015	0.4
185.12811	5.4
187.14644	0.3
195.11179	1.5
197.09283	1.3
203.13866	7.0
211.14496	1.1
215.10246	0.6
215.14201	0.3
239.13864	21.1
240.14172	0.7
240.30247	0.3
255.11249	0.5
257.14926	13.6
258.15268	0.5
269.08130	0.4
279.23309	0.3
280.39044	0.3
300.19254	0.8
313.07083	0.4
315.09641	0.4
316.22211	0.6
328.18640	4.0
397.24356	0.5
459.12430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.6
55.01860	4.6
55.05499	25.2
57.03428	16.9
57.06795	5.2
57.07067	68.3
59.25544	3.9
67.05499	25.5
69.03409	34.7
69.07059	13.7
71.04977	10.1
71.08620	41.5
71.71202	4.6
79.05476	6.7
81.03402	50.7
81.07037	38.1
82.22375	4.3
83.04967	62.3
83.08607	20.4
83.90487	3.7
85.02890	11.5
85.10169	24.1
91.05481	6.0
93.03378	5.6
93.07050	6.1
95.08591	59.5
97.10152	14.0
99.04425	10.6
107.08620	6.6
109.10140	27.4
111.03673	4.9
111.04426	100.0
111.11714	5.1
115.40272	3.8
120.79969	3.4
123.11696	11.5
129.05464	95.6
147.11713	3.9
189.07535	22.1
191.18080	4.6
253.25261	10.9
399.30841	6.5
402.21832	4.8
441.32755	12.3
459.30713	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	459.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.3
55.01865	10.7
55.05504	34.9
57.03417	5.7
57.07059	2.6
59.04993	3.2
61.49289	1.5
65.03919	4.9
67.05497	60.8
69.03416	3.5
69.07058	21.6
71.04968	5.3
71.70286	1.6
79.05485	64.3
81.03407	85.1
81.07044	73.6
81.07389	1.2
81.07538	2.1
82.03743	2.1
83.04970	20.4
83.08606	25.7
85.02905	3.3
85.06519	5.7
91.05466	93.2
93.07035	55.0
94.07352	1.8
95.04396	3.2
95.04958	38.7
95.08593	41.1
97.02872	5.0
97.06503	8.8
97.10183	12.2
99.08056	8.7
103.05450	4.7
105.07013	100.0
106.07353	2.4
107.04935	25.4
107.08575	42.8
109.06498	15.6
109.10138	31.8
111.08056	11.3
113.00000	2.0
113.09645	2.8
115.05447	5.6
116.06213	2.4
117.07005	16.4
119.04925	4.4
119.08566	65.0
120.08159	1.8
121.06477	13.4
121.10121	38.1
123.04401	2.9
123.08065	10.6
123.11700	8.7
125.05945	2.5
125.09602	6.8
128.06206	5.6
129.06989	24.7
131.04880	3.1
131.08553	35.1
133.06471	20.3
133.10112	57.5
134.10405	2.2
135.04420	3.2
135.08041	9.8
135.11681	13.0
137.05972	3.6
137.09590	5.0
137.13237	2.7
139.07550	2.6
141.06956	4.9
142.07780	5.2
143.08536	13.7
145.06453	11.3
145.10094	30.9
147.08020	17.4
147.11652	28.1
147.12721	2.7
149.09595	12.9
149.13237	9.0
151.07530	6.6
151.11177	6.9
153.07169	2.1
153.09102	4.5
154.07803	2.1
155.08521	7.6
156.09242	2.1
157.06464	4.4
157.10092	24.6
159.08011	6.3
159.11694	11.9
161.05882	2.9
161.09576	7.7
161.13200	8.2
163.03925	4.6
163.11214	10.6
163.14810	8.2
165.09100	7.4
165.12726	4.1
167.08546	4.5
169.10126	4.7
169.12292	2.2
171.07993	4.1
171.11650	8.9
172.12404	2.9
173.09569	5.0
173.13266	9.1
175.11165	17.8
175.14771	17.6
177.12680	3.7
177.16360	9.8
181.10086	2.1
183.11658	5.0
183.46855	1.6
185.09612	4.6
185.13220	7.4
187.11200	3.0
187.14778	28.3
189.11151	3.6
189.12801	3.2
189.16315	3.5
191.10518	2.9
191.14240	2.1
193.12225	36.4
193.15871	8.7
195.11661	3.3
197.09552	2.1
197.13281	5.5
199.11125	3.0
199.14790	7.2
201.12578	2.0
201.16382	5.2
203.14302	37.7
204.14671	2.6
205.15862	27.4
209.13272	3.8
211.11084	2.8
211.13074	3.5
211.14925	2.5
213.12704	4.4
213.16374	2.8
215.14304	5.7
215.18048	1.7
217.12154	2.4
217.15828	5.5
221.15324	22.8
223.14853	3.5
223.16902	35.1
227.17934	2.3
233.15355	3.7
239.16524	2.7
241.15901	2.1
245.15378	1.7
249.14835	5.7
252.05261	2.0
253.19705	3.2
267.15915	4.7
269.15509	3.1
273.14819	6.3
287.16431	2.7
297.18442	2.4
339.23080	6.0
347.18396	2.0
349.21582	6.2
357.24362	3.3
367.22668	18.7
368.23297	2.4
385.23682	29.1
386.23941	4.2
403.24878	5.6
405.31412	5.9
421.59164	1.7
423.32571	8.9
441.26239	6.6
441.33508	28.4
442.34085	2.3
459.27292	89.1
459.34500	41.3
460.27634	13.2
460.34262	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	459.3462
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
53.03931	5.7
55.01857	6.1
55.05506	28.7
57.03427	8.7
57.07063	5.0
59.04990	4.5
65.03947	2.8
67.05501	40.4
69.03422	3.6
69.07065	22.9
71.04983	4.3
71.70578	2.4
74.46323	2.0
79.05486	45.7
81.03409	37.6
81.07047	58.3
82.07378	4.1
83.04969	7.8
83.08612	18.7
85.06509	5.7
89.21390	2.2
91.05470	48.6
93.07028	45.2
95.04961	22.1
95.08596	50.2
97.02953	2.3
97.06532	5.1
97.10159	9.5
99.08075	18.2
105.07013	100.0
106.07314	2.2
107.04965	16.8
107.08575	68.2
109.06538	12.9
109.10133	42.1
111.08062	5.4
112.99996	22.2
115.05411	5.0
117.07014	16.0
119.04907	3.4
119.08564	78.2
121.06522	11.6
121.10130	51.2
123.08060	9.9
123.11683	14.4
125.09605	7.0
128.06232	7.1
129.06999	15.9
130.07744	2.5
131.08554	52.4
133.06454	18.3
133.10106	48.5
135.08051	8.0
135.11664	18.5
137.09581	7.9
137.13231	5.9
141.07018	9.7
142.07765	6.5
143.08553	27.0
145.06477	10.4
145.10101	50.2
147.08041	10.4
147.11673	31.3
149.09615	10.9
149.13249	10.5
151.11180	6.7
153.07013	4.4
154.07729	3.5
155.08499	16.5
156.09431	3.0
157.06447	3.5
157.10104	27.1
159.07999	4.2
159.11684	27.9
161.09621	7.5
161.13223	18.9
163.11166	7.9
163.14795	11.8
165.06917	3.4
165.09023	12.6
167.08537	8.7
168.09241	4.1
169.02640	6.1
169.10138	17.9
170.10851	5.2
171.08025	8.2
171.11679	17.4
172.12276	2.7
173.09666	3.2
173.13225	27.5
175.11209	9.2
175.14767	26.2
177.12715	4.6
177.16406	8.3
179.14293	2.9
181.10101	8.8
182.10872	2.5
183.08051	6.9
183.11642	14.4
185.09634	3.4
185.13231	24.6
187.11189	3.5
187.14801	30.2
189.11275	3.2
189.12791	4.8
189.16406	12.9
191.14305	3.2
191.18086	2.9
193.10368	2.4
193.12242	13.0
193.15843	3.1
195.07928	3.8
195.11699	11.3
197.09645	5.1
197.13271	9.9
199.11160	5.3
199.14833	17.4
201.12682	2.8
201.16371	11.1
203.14314	34.7
203.17946	4.0
205.12265	3.5
205.15880	32.9
207.17477	5.6
209.09680	4.9
209.13226	5.5
211.11292	3.8
211.14842	5.5
213.12776	3.1
213.16347	10.1
215.14261	3.0
215.17960	6.2
217.15860	8.8
219.11612	2.9
221.13441	3.1
221.15393	10.0
223.14854	5.9
223.16850	33.7
225.12758	5.5
225.16380	4.5
227.17982	2.8
229.15837	4.2
231.17378	4.6
233.15326	2.6
233.19077	2.7
237.16324	3.8
241.19312	3.5
243.17444	3.5
253.19504	3.1
257.18875	3.1
269.18945	4.0
273.14896	4.7
273.18491	6.7
291.19473	2.8
311.23636	3.4
339.22974	6.9
347.22144	7.4
349.21631	14.1
351.26825	2.9
357.24036	2.9
367.22632	21.4
368.23068	2.6
385.23587	12.3
403.24670	4.3
405.31479	21.2
423.32565	24.4
424.33090	3.4
441.20554	4.7
441.26367	37.6
441.33557	80.1
441.39594	4.4
442.26630	7.4
442.33951	8.2
459.21179	6.2
459.27347	52.3
459.34567	70.7
460.27951	7.1
460.35245	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	459.3464
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
55.01869	1.2
55.05505	5.1
56.15605	1.0
56.72030	0.8
57.07055	1.8
67.05497	8.9
69.07062	6.6
70.51593	4.3
71.04964	1.3
79.05473	6.2
81.03384	1.2
81.07050	14.9
81.79762	0.8
83.04987	1.4
83.08607	4.8
91.05481	7.7
93.07037	12.7
95.04950	2.4
95.08598	26.9
97.06523	1.8
97.10172	1.5
99.08090	8.8
105.07018	13.6
107.04910	1.3
107.08576	20.6
109.06487	2.9
109.10149	15.4
111.08074	8.3
115.01308	1.0
115.05408	1.1
117.07005	3.3
119.08562	34.1
119.09415	2.0
120.08875	1.2
121.06480	1.7
121.10134	19.1
123.08025	2.6
123.11711	6.1
125.09609	1.5
129.06992	2.6
131.08553	9.0
133.10109	22.5
134.10478	1.3
135.08041	6.1
135.11684	7.1
137.09605	3.5
142.07822	1.5
143.08551	4.8
144.09332	1.0
145.10117	15.2
147.08012	6.5
147.11656	9.6
149.09595	2.8
149.13254	3.8
151.11189	4.1
153.62326	1.0
155.08598	1.2
156.09308	1.8
157.10117	5.6
158.10936	1.4
159.08080	1.0
159.11679	16.4
161.09584	4.0
161.13242	8.1
163.11183	6.3
163.14774	5.8
170.10927	1.2
171.11667	6.2
173.13254	8.6
175.11159	4.0
175.14815	9.8
177.12703	1.3
177.16402	2.7
183.11694	2.6
185.13216	4.9
187.14793	10.6
188.15321	1.0
189.12714	5.3
189.16345	7.2
191.14305	2.3
191.17949	1.6
197.13220	1.8
199.14795	7.8
201.16444	5.1
203.14349	7.8
205.15837	11.6
211.14900	1.3
213.16403	3.1
214.75362	1.0
215.17950	1.5
217.15862	20.0
218.16321	1.0
219.17465	1.6
227.17960	1.9
235.16916	8.1
243.17497	1.0
245.18901	1.3
253.11098	1.0
281.91412	1.0
311.23550	1.8
323.30942	0.9
387.30380	1.7
405.26324	1.8
405.31448	20.8
406.31827	2.3
423.32535	21.6
424.32974	1.6
441.33624	100.0
442.33826	7.0
459.28317	1.7
459.34766	29.1
460.35217	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3462
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
52.57488	2.4
53.03925	4.6
53.97186	2.4
55.01846	6.5
55.05506	25.8
57.03426	6.3
57.07061	5.1
59.05010	2.5
65.03910	4.6
67.05492	29.2
69.03415	4.3
69.07055	20.9
69.56145	22.0
69.56573	5.2
71.04972	6.2
79.05487	34.1
79.06985	3.1
81.03410	24.9
81.06615	3.4
81.07046	53.8
83.04972	9.9
83.08602	10.8
85.06519	7.1
91.05467	47.1
93.07032	52.3
95.04969	19.9
95.08595	54.4
97.06547	6.1
99.08076	43.1
103.05438	5.9
105.07016	100.0
107.04921	12.9
107.08576	59.0
109.02888	4.2
109.06506	11.6
109.10133	44.2
111.04388	5.2
111.08065	7.8
115.05410	6.3
117.07018	16.7
119.08565	72.5
120.08920	3.2
121.06487	11.5
121.10133	55.3
122.10490	3.5
123.08051	10.0
123.11676	12.8
125.09582	2.8
127.07549	17.0
128.06203	10.4
129.07002	21.4
130.07819	3.7
131.08542	40.5
132.08907	3.6
133.06442	11.7
133.10107	60.8
135.07997	13.9
135.11671	21.5
137.09637	6.4
141.06950	13.5
142.07753	9.5
143.08542	30.9
145.06419	8.4
145.10110	52.4
147.08000	9.0
147.11682	33.2
149.09581	9.9
149.13231	11.7
151.11166	7.9
153.07051	6.8
154.07779	5.4
155.08534	24.7
156.09215	4.8
157.06491	8.8
157.10097	33.8
159.08015	7.8
159.11673	36.6
160.11920	3.7
161.09601	12.6
161.13235	33.6
163.03795	3.4
163.11174	9.6
163.14854	15.2
165.06944	6.7
165.09113	5.6
165.12669	2.9
166.07747	4.9
167.08548	14.3
168.09331	5.4
169.06479	4.3
169.10114	22.6
170.10873	6.9
171.07971	8.0
171.11658	22.6
173.09634	5.4
173.13246	25.4
175.11206	5.9
175.14772	33.0
177.12671	4.1
177.16327	14.5
178.07748	3.0
179.08435	5.1
180.09332	4.3
181.10094	11.5
182.10802	4.9
183.08046	10.5
183.11656	21.7
185.09584	7.8
185.13260	24.0
187.11124	8.4
187.14796	35.3
189.12642	5.6
189.16357	11.2
191.14290	6.1
193.10120	4.4
193.12112	5.0
193.15823	5.3
195.08020	6.1
195.11719	12.8
195.13786	2.8
196.08736	3.9
197.09489	6.8
197.13216	15.5
199.11136	4.5
199.14786	25.6
201.12753	6.1
201.16338	20.1
203.14311	36.2
205.15829	44.4
207.17470	4.5
209.09610	7.1
209.13219	10.4
211.11148	10.4
211.14821	10.9
213.16342	9.6
215.14272	6.7
215.17906	5.4
217.15805	17.2
219.17392	3.8
221.13245	7.3
221.15295	9.8
223.11147	6.4
223.16882	34.4
223.18887	4.6
225.12650	7.6
227.17854	3.5
231.17401	6.1
235.14832	3.7
235.16927	4.4
237.12624	6.6
237.16269	3.3
239.14322	5.3
251.14137	5.0
253.15839	5.3
257.18887	4.2
271.20389	3.6
283.20483	3.7
297.22220	3.9
309.21838	3.7
321.22144	4.6
339.23111	7.2
349.21436	15.3
367.22583	32.7
381.31296	4.2
385.23627	10.4
405.31436	18.8
411.25092	3.5
423.32697	28.3
429.26160	5.1
441.26260	77.4
441.33478	76.6
442.26755	5.9
442.33246	4.6
459.27295	59.2
459.34525	80.1
460.27731	6.1
460.34592	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	459.3466
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
53.03932	3.6
55.01862	5.4
55.05504	22.2
57.03419	3.1
57.07058	3.1
59.04983	2.3
60.75133	1.0
65.03917	2.2
67.05496	23.6
69.03410	4.3
69.07056	13.9
69.64293	5.3
69.64716	2.9
71.04979	3.0
79.05484	22.2
81.03403	28.2
81.07044	27.9
81.08125	0.9
83.04961	7.9
83.08603	18.0
85.02892	1.6
85.06532	2.3
86.35892	1.0
91.04922	1.6
91.05465	18.6
93.06436	1.3
93.07027	27.4
95.04954	12.1
95.07999	2.1
95.08592	32.5
97.02875	1.9
97.06521	4.3
97.10163	8.0
98.21440	1.3
99.08093	8.2
105.07013	29.0
106.07340	1.6
107.04932	7.9
107.08579	30.0
108.97060	1.0
109.02851	3.4
109.06492	6.4
109.10134	20.0
111.04426	1.9
111.08063	9.1
113.09630	4.6
115.05444	4.1
117.07012	8.4
118.07796	0.9
119.04939	1.7
119.08566	32.2
120.08875	1.4
121.06484	8.5
121.10127	24.9
123.04418	4.5
123.08041	6.6
123.11680	7.2
125.09632	8.5
128.06241	1.5
129.06985	9.3
129.09088	4.4
130.07791	1.5
131.04915	2.7
131.08549	15.4
133.06456	5.8
133.10115	22.3
135.04376	2.8
135.08070	7.1
135.11682	12.5
137.05960	1.8
137.09592	5.6
137.13229	1.9
139.11166	8.4
141.06970	3.9
142.07736	3.6
143.08548	8.0
144.05721	1.2
144.09242	1.5
145.06480	10.6
145.10097	20.1
147.04385	3.0
147.08049	10.0
147.11674	15.8
148.08459	1.0
149.05919	1.4
149.09593	8.1
149.13203	4.7
151.04007	1.2
151.07491	1.3
151.11171	4.0
153.09117	1.3
153.12727	2.4
154.07596	1.0
155.08536	4.1
156.09335	1.8
157.06511	3.1
157.10092	13.0
158.10715	1.7
159.08028	3.0
159.11685	18.7
160.08687	1.6
161.05910	1.3
161.09544	4.9
161.13249	7.3
163.03893	10.7
163.11186	5.7
163.14809	4.6
165.09102	8.9
165.12729	4.0
169.10109	6.2
170.10861	1.9
171.08025	2.9
171.11662	8.7
173.09563	4.0
173.13231	9.3
175.11156	8.0
175.14795	7.5
177.12712	3.4
177.16367	4.0
179.14310	6.1
181.10088	2.9
183.08099	2.2
183.11668	6.4
185.09613	2.3
185.13243	6.4
187.11128	2.8
187.14807	12.1
189.11130	2.6
189.12740	3.3
189.16393	2.8
191.10593	1.2
191.14352	2.1
193.10469	1.8
193.12219	15.6
193.15874	2.3
195.11696	3.3
195.13759	3.1
197.13217	5.6
199.11160	3.3
199.14771	6.8
200.12788	2.2
201.12715	3.8
201.16365	5.8
203.14323	8.9
203.17944	1.3
205.15872	10.1
209.13245	3.4
210.13960	1.1
211.14804	3.1
213.12700	2.0
213.16368	3.2
215.14294	3.9
217.15871	7.4
219.17416	2.5
221.13359	1.5
221.15347	5.7
221.18553	1.2
223.11150	1.6
223.16895	3.4
225.12654	1.0
225.16289	2.4
227.14365	2.3
227.17975	2.8
229.15886	1.1
231.17546	1.6
233.15324	1.7
237.12703	1.4
237.16432	1.3
239.14311	1.9
241.16037	1.6
241.19562	1.8
245.19019	2.1
249.14876	1.5
253.19522	2.5
255.13806	2.9
255.17484	1.7
259.20441	2.5
267.21036	1.6
269.15524	1.2
271.17075	1.4
271.20541	4.3
273.14856	7.3
279.23221	1.1
283.16916	1.5
283.20306	2.4
311.23663	1.5
335.23615	2.3
339.23193	2.6
349.21365	5.7
353.24707	2.0
357.24200	1.7
362.17844	1.8
367.22668	13.9
368.23138	1.4
385.23651	13.2
385.28027	1.6
386.23969	1.2
395.33026	1.6
403.24765	2.9
405.31552	6.1
423.32526	16.2
440.75031	1.1
441.33585	100.0
442.33768	6.5
459.27322	34.6
459.34555	20.2
460.27719	3.3
460.34494	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3465
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
53.03924	2.5
55.01865	5.6
55.05501	17.9
57.03416	2.9
57.07051	3.2
59.04989	1.5
65.03926	1.9
67.05133	1.3
67.05491	19.7
69.03424	4.2
69.07057	13.9
71.04975	3.2
71.08648	0.9
71.70739	0.8
71.71185	1.4
77.03922	0.8
79.05481	20.7
81.03404	27.2
81.07042	28.1
82.07401	0.8
83.04971	6.2
83.08605	18.7
85.02891	1.5
85.06524	2.6
86.09696	0.8
87.04461	0.9
89.03892	0.8
91.05462	22.4
93.06438	1.2
93.07030	26.3
95.04955	12.2
95.08590	29.0
97.02873	1.7
97.06505	4.0
97.10152	8.4
99.04446	1.4
99.08078	8.6
103.05444	1.7
105.07014	32.1
106.07308	1.2
107.04932	7.6
107.08575	26.7
109.02865	3.1
109.06502	6.1
109.10138	19.6
110.10438	0.7
111.04420	0.8
111.08066	8.3
111.11687	0.8
112.99999	1.3
113.09615	4.9
115.05409	2.6
117.03439	1.0
117.06998	6.2
119.04924	1.2
119.08557	27.4
121.06497	7.8
121.10125	25.1
123.04401	3.7
123.08048	6.8
123.11700	6.2
125.06009	0.7
125.09583	6.0
127.03913	1.2
128.06190	1.8
129.06998	8.8
129.09102	5.0
130.07765	1.1
131.04903	2.7
131.08546	15.3
133.06474	5.6
133.10103	22.1
135.04424	3.2
135.08052	6.3
135.11668	12.4
137.05971	2.0
137.09610	4.8
137.13243	1.6
139.11147	7.2
141.06982	2.8
142.07759	2.6
143.08554	8.0
144.05722	1.2
145.02837	1.4
145.06458	10.2
145.10109	16.4
147.04364	2.0
147.08031	9.3
147.10558	1.5
147.11659	15.4
148.11952	0.8
149.05934	1.5
149.09598	7.0
149.13214	5.3
151.03902	1.1
151.07494	0.9
151.11189	3.2
153.09093	1.5
153.12711	3.8
155.08569	4.6
156.09314	1.4
157.06488	1.8
157.10104	13.7
158.10936	0.8
159.08029	3.0
159.11673	17.4
161.05975	2.0
161.09605	3.7
161.13240	7.0
162.10439	0.7
163.03874	10.3
163.11157	5.4
163.14749	3.3
164.04243	0.9
165.06995	0.8
165.09070	7.9
165.12772	3.5
166.07831	1.0
167.07063	1.3
167.08530	2.1
168.09264	1.0
169.06462	0.9
169.10059	5.5
170.10791	1.2
171.08052	3.3
171.11668	8.3
173.06003	1.0
173.09610	3.2
173.13214	7.9
175.11180	5.9
175.14798	6.0
177.05489	0.9
177.12714	3.9
177.16354	3.9
179.08704	0.6
179.14273	5.5
181.10124	2.6
181.12320	0.8
183.08044	0.8
183.11668	5.9
185.09641	2.6
185.13219	6.8
186.13828	1.0
187.11125	2.4
187.14803	9.2
188.15369	0.7
189.09254	1.0
189.11186	1.7
189.12784	2.7
189.16383	3.0
191.12607	0.7
191.14310	3.0
193.10329	1.6
193.12199	13.7
193.15834	2.9
195.08081	0.9
195.11674	3.5
195.13846	2.1
197.09579	1.5
197.13223	6.5
198.13954	0.9
199.11168	2.1
199.14842	6.0
200.12831	2.3
201.12755	4.7
201.16370	3.4
203.14297	8.0
203.17986	0.8
205.12112	1.0
205.15852	11.0
206.16174	1.2
207.11624	0.9
209.09496	1.1
209.13239	2.4
211.11218	1.7
211.14793	4.2
213.12848	1.7
213.16345	3.5
215.14377	4.1
215.18015	2.3
217.12242	0.9
217.15842	5.1
219.17435	2.2
221.15297	5.1
223.11108	1.2
223.14948	1.1
223.16902	4.0
225.12735	1.1
225.16393	3.3
227.14325	2.0
227.17899	2.1
229.15904	2.0
231.13739	0.8
231.17461	1.3
233.15366	2.0
235.14795	1.1
235.16927	1.2
237.12703	1.6
239.14323	1.3
239.17938	1.6
241.15887	1.5
241.19435	1.0
243.17422	1.2
245.18970	1.3
251.18018	1.7
253.19463	3.0
255.13858	2.3
255.17450	1.4
255.21126	1.3
257.15335	1.0
257.18839	0.8
259.20517	1.8
261.14758	0.8
265.19421	1.0
267.21017	2.0
269.15314	1.0
269.18759	1.1
271.17957	0.7
271.20535	4.5
273.14780	4.7
283.20554	1.5
285.22180	1.3
289.21567	1.1
297.22110	0.9
299.16486	0.9
301.21652	1.2
311.23306	1.3
313.07523	0.8
313.25302	1.1
321.22131	1.1
323.23654	1.2
325.25366	1.2
335.23685	1.6
339.23138	1.9
349.21527	5.8
350.21796	0.8
353.24734	2.7
357.24146	2.1
362.17993	2.4
367.22562	13.5
385.23639	13.8
385.28189	1.1
386.24081	1.7
387.30814	0.9
395.33209	1.7
403.24811	3.0
405.31381	6.2
423.26382	1.3
423.32513	15.2
441.33582	100.0
442.33954	6.7
459.27356	35.1
459.34579	24.0
460.27753	4.7
460.34705	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3463
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
50.23803	0.7
51.58776	0.6
53.61414	0.7
53.77386	0.6
55.01863	0.7
55.05504	3.8
57.07062	1.3
60.40779	0.6
67.05487	5.7
69.03397	1.2
69.07050	4.8
70.25283	0.8
70.25554	3.3
70.28113	0.5
71.04999	0.6
73.17888	0.7
75.97433	0.8
79.05475	6.1
81.03402	0.8
81.07040	11.8
83.04955	2.4
83.08600	2.8
84.59047	0.6
91.05462	4.2
91.27621	0.6
93.07029	11.0
95.04943	2.4
95.08593	13.7
97.06523	1.8
97.10139	1.1
97.11215	0.7
98.21410	0.8
99.08064	1.4
103.05452	0.8
105.07014	12.3
107.08575	15.4
108.08942	0.8
109.06499	2.4
109.10137	11.6
111.08089	1.3
113.05951	0.6
117.06982	2.5
119.08566	16.8
119.58884	0.6
119.81464	0.7
121.06520	1.9
121.10120	12.3
123.08011	2.1
123.11717	3.7
129.07022	1.6
131.08569	5.0
133.06506	1.6
133.10100	14.6
135.08022	2.0
135.11661	7.5
137.09610	1.5
137.13264	1.3
143.08536	2.2
145.06465	1.5
145.10106	7.5
147.08057	2.0
147.11650	7.1
149.09575	1.8
149.13234	2.6
151.11176	2.5
155.08524	1.2
157.10048	3.3
158.10883	1.6
159.07976	2.0
159.11694	7.0
161.09607	3.8
161.13217	3.9
163.04022	0.7
163.11142	1.1
163.14835	3.9
169.10175	1.3
171.11693	2.9
173.09598	1.5
173.13219	5.5
175.11217	1.8
175.14816	4.4
177.12720	1.5
177.16353	1.8
179.14307	2.7
183.11678	1.9
185.13225	2.7
187.11195	1.8
187.14790	4.9
189.12743	2.2
189.16357	11.3
191.14290	0.7
197.13289	1.5
199.14828	2.4
201.12749	1.9
201.16336	5.3
203.14278	1.8
203.17873	1.0
205.15878	1.8
207.13779	0.8
209.13094	0.7
211.14883	1.2
213.16370	0.9
215.14276	2.0
215.17912	1.0
217.15878	2.3
219.17484	0.9
225.16278	1.3
233.15279	1.4
235.16898	2.1
239.17717	0.9
243.17393	1.6
243.21216	0.7
261.18506	1.3
271.20471	0.8
329.24799	1.1
335.23447	1.1
343.26294	0.9
387.30048	0.8
405.31601	3.5
411.32501	2.4
423.32581	9.1
441.33621	14.9
459.34637	100.0
460.34949	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	460.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76073	1.1
53.03941	7.3
55.01860	8.5
55.05502	1.7
57.03417	5.6
60.01996	1.2
60.04498	1.4
61.02922	6.5
67.05484	5.0
68.99780	3.7
69.03420	30.1
69.07033	1.9
69.52316	9.1
69.52729	3.0
71.04978	6.7
73.02560	1.2
73.02914	7.0
79.05477	3.4
81.03410	26.9
81.07027	5.1
82.07382	1.7
83.01337	1.4
83.04961	2.3
85.02892	80.7
87.00816	27.1
91.03909	2.4
91.05452	3.0
92.78889	1.2
93.07014	4.1
94.57839	1.3
95.04963	2.8
95.08590	6.9
97.02879	30.3
99.04433	12.5
99.08054	3.0
100.66109	1.2
103.05452	6.1
105.01849	25.4
105.07017	5.5
107.04944	6.9
107.08577	2.8
108.04453	10.1
109.02867	28.7
109.06509	1.7
109.10120	1.5
115.05400	1.7
117.01788	2.8
119.08503	1.5
120.08931	1.6
121.06483	1.4
121.10137	2.8
126.05464	4.4
127.03898	57.6
128.04201	2.2
129.01828	3.6
129.06911	1.3
131.04848	1.9
131.08551	2.4
133.10127	2.5
135.08015	6.8
139.03883	3.5
145.04939	27.0
145.10083	2.0
147.02823	4.5
147.04337	2.6
147.11609	1.5
151.07335	1.4
154.06226	29.4
159.02878	19.1
163.03828	3.0
163.07524	24.9
165.09091	1.5
180.07806	1.7
194.81593	1.3
195.10141	100.0
200.12772	17.2
213.03978	3.4
219.10318	1.5
230.06551	3.5
231.04968	13.5
248.07605	5.6
249.06181	1.6
298.20120	3.6
362.17990	8.6
363.27481	1.3
460.26871	1.5
460.33841	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09163	1.2
56.96558	38.7
69.03414	2.0
71.95242	1.9
79.05469	2.2
81.03403	1.3
81.07056	1.3
84.95540	2.0
84.96022	23.9
85.02929	1.3
91.05451	2.0
97.02873	1.2
97.96815	1.8
98.21479	2.1
98.97570	100.0
102.97055	3.5
107.04938	1.2
110.97556	26.3
112.99109	2.7
116.98611	57.4
119.01896	1.3
120.92283	1.2
123.04402	4.0
124.99113	1.6
128.98593	36.6
131.00145	4.0
131.04936	4.1
134.99644	17.7
135.04430	1.2
136.99040	1.3
140.00163	2.0
140.98572	2.3
143.00156	4.8
145.99495	1.1
146.99644	17.2
147.04329	1.2
149.01186	1.3
151.00630	1.9
152.98592	1.8
153.00748	1.1
154.62682	1.2
155.00162	5.2
157.03278	1.1
158.99646	18.2
161.01212	7.4
161.02843	1.4
162.99223	1.6
163.00575	1.3
165.00819	1.7
165.02216	2.5
165.99326	1.5
166.03516	1.1
167.00165	3.8
169.01721	2.0
170.99651	6.9
173.01189	4.2
177.00693	26.0
179.00153	2.0
181.00288	1.3
181.01669	6.0
183.03261	2.3
184.00432	2.6
185.01202	6.3
189.00699	5.8
191.00182	2.8
191.02151	1.7
193.01717	4.7
195.01718	2.9
195.03294	1.7
197.01224	5.7
199.02739	7.3
200.02281	1.2
201.00720	3.5
203.00096	2.2
205.01691	1.6
207.01781	1.7
209.01187	12.3
211.02777	9.8
213.00731	3.9
215.02161	1.3
217.03712	1.6
219.01741	35.7
221.01164	16.2
222.34323	1.0
223.02740	7.5
225.00806	1.1
227.02246	18.1
228.82016	1.1
229.03723	1.1
233.01183	11.6
235.02635	1.6
237.02782	63.2
238.99834	1.8
239.02246	31.3
241.03818	2.0
242.03253	1.3
245.01170	3.5
245.03369	2.8
250.03825	2.2
251.02213	17.3
255.03787	4.3
257.03268	11.6
258.48624	1.2
260.04263	1.6
263.02228	34.5
264.02679	1.5
269.03275	7.4
273.02704	2.0
281.03305	51.0
287.04303	1.9
293.03207	1.9
299.04367	24.4
304.04913	2.1
317.05432	1.8
318.39920	1.2
322.05817	1.9
323.04413	4.0
329.05322	2.4
341.05249	3.0
389.07599	1.5
401.07611	3.2
419.08578	16.5
431.08887	1.5
460.95840	1.3
461.09549	34.7
462.09909	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	461.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00595	3.8
54.97386	4.5
57.03440	5.2
60.93480	4.1
61.02898	6.7
63.43589	4.6
68.45242	4.2
69.03420	14.2
70.06568	5.5
71.04991	37.9
71.70492	7.2
72.08154	5.2
73.02896	7.4
74.06063	7.9
75.04459	8.4
79.05484	7.8
81.03379	12.0
83.04983	6.6
83.91367	4.1
85.02889	100.0
86.09687	7.0
87.04482	4.7
91.05446	5.6
97.02866	16.3
98.97613	4.8
99.04467	5.2
107.04922	13.1
109.02860	8.3
109.06503	6.2
121.02836	5.2
127.03902	9.1
129.05463	17.2
135.04410	16.5
137.05966	11.9
144.06586	4.3
145.04973	13.5
147.04388	10.7
147.06519	11.6
149.05908	5.1
151.07504	4.8
153.05438	32.2
161.24883	4.2
165.05479	9.3
177.05388	6.2
207.06378	4.2
219.06473	4.9
291.04025	4.2
315.62164	4.7
378.01590	4.3
417.47562	5.3
461.15659	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	461.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.2
55.01867	4.2
55.05507	13.7
57.03426	3.1
65.03925	2.1
67.05494	24.9
68.05049	1.3
69.03443	1.1
69.07060	11.0
69.44386	11.0
71.04986	2.2
79.05486	25.3
80.05006	15.0
81.03405	9.9
81.07044	30.2
82.06596	1.3
83.04976	4.0
83.08598	7.6
84.04507	1.8
85.06533	2.0
91.05468	35.0
93.07030	31.4
93.07585	2.1
95.04960	11.8
95.08601	16.5
96.04456	1.2
97.06504	5.7
97.10154	5.0
99.08104	1.2
103.05430	1.6
105.07018	49.6
105.07725	2.5
107.04944	5.8
107.08585	18.2
108.04445	2.9
109.06493	5.4
109.10130	7.0
111.08057	3.3
113.00008	3.9
114.03746	13.6
115.05457	4.1
116.01638	1.5
117.06998	11.6
119.04961	1.7
119.08566	26.2
121.06501	6.8
121.10114	18.7
123.08041	4.4
123.11691	1.5
125.09618	3.6
128.06197	6.9
129.06976	11.2
131.04929	1.5
131.08549	19.1
133.06496	3.6
133.10100	19.3
135.08041	3.7
135.11658	5.0
136.03915	1.4
137.09644	1.7
139.07559	1.3
140.01576	1.9
141.06973	4.0
142.03204	100.0
142.07764	11.1
143.08554	18.9
144.09288	3.4
145.05338	1.2
145.06453	4.7
145.10133	7.7
147.08047	4.6
147.11658	11.0
149.09587	3.3
149.13271	2.9
155.08536	4.2
155.76752	1.1
156.09314	3.8
157.10114	24.3
159.08044	2.6
159.11676	20.8
161.09621	9.1
161.13254	2.5
163.11145	1.6
165.09178	1.3
167.08560	1.1
169.02580	1.0
169.10161	3.0
170.02695	36.7
171.08029	1.5
171.11667	9.2
173.13274	7.3
175.11160	6.4
175.14853	5.7
177.12720	2.3
183.11668	3.4
184.12433	1.3
187.11267	1.2
189.11261	2.1
189.16397	2.8
193.12201	3.2
195.13893	1.5
197.13316	1.5
199.05338	3.9
199.14804	43.6
211.07188	3.4
211.14909	1.2
217.15840	13.4
221.13313	1.1
223.15018	1.5
227.04803	6.4
243.04404	3.4
245.05898	19.9
249.12895	2.4
249.15138	1.3
250.53015	1.1
255.17233	1.5
267.15848	1.8
283.56467	1.1
293.21127	1.8
340.17267	2.5
341.24695	1.6
351.23117	4.6
358.18283	3.9
369.24219	10.3
371.22458	1.2
387.25217	4.0
405.26321	1.2
417.25891	1.3
443.27768	6.2
461.22400	2.5
461.28909	34.4
461.35129	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.6
55.01866	19.1
55.05502	21.1
56.38121	1.4
57.03430	12.0
59.81435	1.4
65.03923	3.8
67.05494	37.5
68.05842	1.9
69.03413	2.3
69.07058	20.3
71.04967	2.1
71.32186	3.0
79.05479	42.6
81.03387	7.5
81.07043	45.8
81.86427	2.0
83.04967	7.6
83.08614	8.6
85.06520	2.5
91.05464	35.2
93.07028	35.0
94.85188	1.5
95.04943	11.6
95.08588	29.4
97.06516	23.5
97.10158	7.1
105.07008	39.6
107.04939	15.7
107.08570	24.7
109.06515	9.5
109.10140	13.9
110.10420	1.6
111.08076	5.1
112.99998	100.0
115.05493	2.7
117.07003	14.3
119.08558	27.0
121.06496	7.5
121.10113	13.4
123.08037	5.4
123.11695	3.4
125.09635	6.1
128.06204	2.7
129.07004	6.0
131.08563	20.5
133.06456	2.9
133.09158	2.8
133.10094	20.2
135.08017	7.0
135.11659	8.7
137.05997	1.7
137.09602	4.6
139.11078	2.2
141.06905	2.0
143.08536	6.8
145.06473	3.3
145.10095	15.2
147.08049	3.1
147.11679	16.0
149.09601	11.8
149.13211	3.6
151.11139	3.0
153.09125	3.5
155.08524	3.7
157.10115	6.0
158.17070	1.8
159.11658	13.0
161.09564	3.9
161.13246	6.4
163.11177	8.6
165.12723	2.8
169.02586	36.2
169.10159	3.7
171.11644	6.0
173.09584	2.5
173.13228	6.7
175.11252	2.3
177.12704	3.4
179.14252	2.5
181.10231	1.8
183.11653	3.6
187.03630	8.4
187.11209	2.1
189.11154	4.0
191.14354	2.0
205.15866	1.8
213.16415	1.9
215.14449	2.5
227.12737	7.9
229.19403	3.1
239.17889	4.3
247.20619	4.0
257.19022	15.1
275.20026	61.9
293.21115	2.8
349.23679	57.7
350.23969	2.9
351.23038	4.2
369.24197	6.2
387.25183	2.9
396.82324	1.7
443.21851	3.3
443.27585	9.0
443.34399	4.1
461.28641	15.8
461.34644	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45911	1.6
53.03938	6.8
55.01865	46.9
55.05501	18.0
57.03426	7.1
57.07061	3.0
57.68803	1.5
65.03934	3.0
67.05497	40.9
69.03436	2.9
69.07056	28.2
69.44814	18.3
71.04981	2.7
71.08625	3.6
73.53600	1.6
79.05484	41.7
80.03026	1.5
81.03410	16.2
81.07042	44.4
83.04984	8.1
83.08596	10.1
85.06539	3.1
86.26979	1.7
87.66731	1.7
90.43865	1.7
91.05461	36.7
93.07034	35.0
95.01318	2.9
95.04959	18.7
95.08595	23.9
97.06516	81.0
97.10162	4.8
98.06860	1.8
99.08094	2.0
103.45322	1.6
105.07017	43.5
107.04933	23.6
107.08578	20.2
109.06502	7.7
109.10141	7.0
111.08059	4.3
113.00003	100.0
115.05384	1.9
116.48928	1.8
117.06986	12.9
119.08562	19.8
121.06493	12.1
121.10133	8.0
123.08053	8.4
123.11744	1.8
125.09640	5.1
129.06985	4.7
131.08554	16.0
133.06493	4.0
133.10115	20.3
135.08047	6.3
135.11676	8.4
137.09584	3.1
138.74390	1.7
138.86572	1.9
139.07542	3.9
141.06931	2.6
142.07820	1.9
143.08521	5.2
145.06479	4.4
145.10124	11.3
147.08055	3.3
147.11667	12.9
149.09598	15.3
149.13261	6.1
151.11209	5.0
153.09082	4.5
155.08611	2.4
157.10126	5.8
159.11693	10.7
161.09628	2.3
161.13231	5.0
163.11153	12.0
165.12721	2.2
169.02589	46.9
169.10004	3.1
171.11655	3.3
173.13242	5.5
175.11232	2.3
177.12715	9.9
179.14288	13.2
181.10112	2.3
183.11678	3.8
185.13258	3.0
187.03683	5.9
187.11119	3.2
187.14876	2.5
189.11125	1.9
193.12268	4.9
197.13373	2.1
205.12228	2.5
215.14388	1.9
229.19487	2.9
233.19012	2.0
239.17973	2.3
247.20470	4.6
257.19080	6.9
275.20023	75.4
293.18024	3.3
293.21097	31.6
349.23654	53.1
351.23090	3.5
367.24805	7.7
369.24075	7.5
387.25061	4.1
429.20337	4.0
443.22134	36.2
443.27975	8.6
461.22800	21.6
461.28973	26.9
461.35263	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	461.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81085	2.2
53.03924	7.4
55.01864	54.4
55.05505	31.7
57.03432	16.4
59.31216	2.2
65.03930	4.5
67.05495	79.9
69.03423	3.7
69.07057	46.3
71.04988	8.3
71.08611	4.2
73.02919	2.7
79.05483	71.8
81.03413	28.8
81.07048	77.9
83.04961	15.8
83.08597	14.5
85.06528	7.6
91.05467	78.3
93.06447	4.1
93.07030	76.3
95.01320	4.5
95.04959	31.7
95.08587	41.9
95.27956	2.5
97.06518	96.5
97.10161	10.7
99.08057	6.6
103.05457	4.0
103.45303	2.3
105.07011	65.5
107.04934	36.3
107.08575	38.6
109.06505	11.5
109.10137	19.5
111.08068	9.1
113.00002	96.9
117.06987	26.4
119.08572	43.7
120.08772	2.3
121.06488	16.2
121.10138	18.3
123.04433	3.4
123.08064	12.3
123.11705	6.7
125.09627	5.6
128.06195	3.2
129.06969	13.9
131.08554	36.7
133.06482	5.9
133.10100	37.6
135.08047	7.2
135.11650	16.8
137.09630	9.7
139.07545	3.3
141.06978	6.3
143.08533	9.9
145.06436	11.8
145.10120	29.0
147.08055	5.9
147.11668	20.9
149.09584	18.1
149.13272	12.4
151.11240	4.0
153.09074	2.6
155.08505	5.2
157.10118	10.6
159.08136	3.1
159.11688	21.5
161.09621	3.1
161.13257	9.4
163.11130	17.6
165.09108	5.5
165.12727	4.1
167.08559	2.4
169.02617	38.7
169.10057	6.3
171.11650	9.0
173.13268	8.5
175.11115	6.0
175.14816	5.6
177.12737	17.5
179.14294	16.8
181.10164	2.3
183.11627	4.8
185.13211	4.8
187.03615	3.3
187.11189	5.3
187.14854	3.7
189.11270	3.1
189.12782	3.3
191.14296	2.7
193.12163	6.9
195.13904	3.3
197.13271	3.1
199.14844	3.0
201.16394	3.6
203.14294	2.8
205.15854	3.6
205.19713	2.5
209.13210	3.6
215.17909	3.3
217.15886	6.2
219.17447	12.0
227.12733	3.8
229.19572	4.6
233.15317	5.5
239.17799	3.6
247.20552	4.1
257.04526	3.6
257.19046	8.6
275.20023	100.0
276.20251	3.0
285.10025	3.5
293.21155	23.1
341.24896	3.4
349.23700	87.8
351.23257	6.6
367.24722	10.2
369.24313	12.8
387.25046	8.9
429.20117	5.2
432.27960	2.6
443.21863	20.4
443.27826	14.4
443.35217	3.7
461.22787	16.6
461.28876	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	461.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.1
53.80309	2.7
55.01864	4.8
55.05508	20.1
57.03430	6.2
67.05493	36.3
69.03411	6.0
69.07050	21.0
69.66731	6.2
69.67150	18.9
79.05471	53.7
81.03375	9.1
81.07034	45.5
83.04951	9.1
83.08591	4.6
84.08122	3.6
85.06538	4.0
86.09675	3.0
91.05466	39.3
93.07021	57.0
95.04961	10.4
95.08595	29.0
97.06531	4.8
97.10139	11.3
99.08082	3.0
105.07018	32.0
106.07349	3.3
107.04935	6.2
107.08582	20.6
109.06501	7.8
109.10123	11.5
113.00002	7.5
117.07027	7.3
119.08553	23.3
121.06440	6.1
121.10103	12.7
123.08022	6.8
125.09626	3.4
129.06987	11.6
131.04909	3.7
131.08534	11.0
133.10092	17.4
135.08098	3.5
135.11656	6.9
143.08542	9.4
145.06448	5.7
145.10120	20.4
147.08044	6.2
147.11659	23.2
149.09578	3.3
153.01810	5.2
157.10083	3.6
159.11655	6.8
161.09596	5.2
161.13243	11.1
163.03825	4.9
165.09111	9.8
169.02583	3.1
171.11635	16.4
175.14954	3.7
177.16394	3.4
187.14734	7.0
189.12773	6.5
189.16290	4.0
205.15878	6.0
207.13770	20.0
241.04945	4.3
275.20099	4.2
281.17422	100.0
329.06607	11.0
349.23868	3.2
351.22867	4.3
369.23837	7.6
373.27411	7.9
387.24533	3.8
425.34003	4.2
436.07123	3.7
443.28036	5.3
443.34995	15.2
461.28500	25.0
461.35693	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	461.289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.6
53.03946	8.5
54.09761	1.2
54.42701	1.2
55.01859	4.9
55.05274	1.8
55.05507	24.9
56.96743	1.3
57.03434	10.5
57.07066	2.0
65.03923	4.3
67.05496	87.8
67.16852	1.6
68.05838	1.4
69.03416	2.4
69.07064	22.9
71.01328	3.4
71.04977	5.4
71.70533	2.6
79.05483	100.0
81.03406	16.2
81.07044	61.9
83.04968	20.4
83.08611	12.7
85.06525	4.8
91.05469	66.7
92.61519	1.3
93.07033	96.4
94.60911	1.4
95.04959	28.7
95.08001	2.3
95.08595	39.2
97.02872	1.7
97.06532	15.7
97.10163	13.1
99.08088	3.7
103.05447	2.0
105.04512	2.1
105.07018	50.7
105.07725	3.1
106.07308	1.5
107.04957	7.0
107.08582	43.0
109.06516	6.5
109.10139	13.6
111.08079	3.9
115.05441	2.5
117.07011	15.0
119.08563	36.3
121.06519	6.7
121.10128	17.3
123.08052	8.1
123.11668	1.7
125.09628	3.6
127.07555	1.7
128.06216	1.7
129.06999	16.8
131.08545	7.7
133.06458	2.1
133.10126	18.5
135.08060	3.4
135.11673	41.7
137.09573	4.2
143.08540	9.1
145.10115	19.7
147.08046	4.0
147.11674	33.9
149.09619	2.2
149.13257	4.3
156.09337	1.9
157.10080	2.6
159.11705	4.4
161.09625	5.2
161.13226	13.0
163.11185	7.3
168.86917	1.2
169.10147	1.9
171.11665	27.1
172.11990	2.0
173.13176	1.6
175.11208	2.5
179.14265	2.2
181.12201	7.8
183.11827	1.6
187.14882	2.8
189.12714	11.3
189.16385	1.4
193.12265	1.4
197.13269	1.6
207.13776	31.6
217.46434	1.3
223.16859	1.9
225.14819	3.3
235.16975	2.0
281.17477	2.6
343.62534	1.4
351.23453	1.5
369.24271	2.6
425.34143	1.5
443.27866	3.2
443.35046	4.3
461.28888	64.8
461.35361	3.6
462.29379	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	461.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.0
53.03928	9.2
55.01851	4.1
55.05503	29.1
57.03429	10.0
64.92612	1.2
65.03924	5.0
67.05497	81.8
69.03417	2.1
69.07058	21.6
69.59013	1.1
69.59337	11.3
71.01323	3.2
71.04971	5.7
73.06548	1.9
76.87663	1.1
77.03967	1.5
77.80529	1.2
78.50773	1.2
79.05481	100.0
81.03411	16.0
81.07043	58.0
81.07426	1.0
83.04969	20.6
83.08607	11.5
85.06519	4.5
91.05466	68.6
93.07029	99.0
95.04948	22.0
95.08591	27.1
97.06516	14.9
97.10145	11.0
99.08087	2.6
103.05440	2.0
105.04516	2.2
105.07016	43.6
105.07722	2.5
107.04942	9.0
107.08575	45.6
109.06498	5.8
109.10136	7.1
111.08064	3.5
115.05436	2.1
117.07001	11.3
119.08564	27.8
121.06474	4.0
121.10123	9.9
123.08036	6.6
125.09599	2.0
127.07539	1.5
128.06203	2.9
129.06985	12.9
130.07777	1.9
131.08554	6.3
133.06477	2.3
133.10120	13.9
135.08031	1.9
135.11670	42.9
137.09575	3.5
140.99675	1.3
143.08530	7.7
145.06526	1.4
145.10092	17.6
147.08009	3.8
147.11664	31.9
149.13216	1.8
151.11200	1.5
153.12703	1.7
156.09340	2.0
157.10138	2.2
159.11621	2.4
161.09555	3.2
161.13216	11.6
163.11153	5.2
165.09094	1.2
169.10191	1.4
171.11670	27.5
173.13210	1.5
175.11092	1.4
177.12700	1.4
179.14349	1.4
181.10756	1.5
181.12230	7.2
181.13692	1.3
184.77591	1.2
189.12717	9.2
207.13786	30.5
225.14853	4.2
241.15805	8.0
255.15973	1.6
314.12769	1.2
369.24139	2.2
413.25043	1.7
431.25784	3.5
443.27805	3.2
461.28922	55.5
462.29388	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.2
53.03938	8.9
55.01862	4.3
55.05507	29.6
57.03209	1.2
57.03432	11.2
57.07058	1.9
58.99262	1.3
65.03923	4.7
67.05497	86.4
69.03416	2.8
69.07063	22.3
70.47478	1.2
71.01350	3.5
71.04977	5.0
74.69521	1.3
75.05637	1.4
77.03915	2.2
79.05482	100.0
80.05803	1.7
81.03397	13.5
81.07047	60.6
83.04967	19.2
83.08605	10.0
85.06532	5.3
91.05466	66.3
93.07032	93.5
95.04961	24.3
95.08591	33.0
97.02881	2.3
97.06519	12.1
97.10149	11.4
99.08086	2.6
105.04475	2.1
105.07017	49.8
107.04944	9.5
107.08577	47.3
109.06508	6.9
109.10135	12.1
110.01578	1.3
111.08063	3.5
115.05481	2.5
117.06997	11.5
119.08579	32.0
121.06492	5.2
121.10132	16.2
123.08048	5.1
123.11710	2.5
125.09572	2.3
128.06183	2.6
129.06992	15.8
130.07733	1.9
131.08569	6.6
133.06512	2.9
133.10103	17.2
135.08049	3.9
135.11673	45.9
137.09602	3.6
143.08534	12.4
145.10110	21.5
147.11671	37.0
147.12863	1.9
149.09666	2.7
149.13281	2.8
155.08582	2.3
157.10100	4.2
159.11678	6.3
161.09619	4.0
161.13232	13.1
163.11182	6.5
163.14781	2.5
169.10129	3.2
171.11661	30.1
171.13068	2.3
173.13258	3.3
181.12204	8.3
181.15781	1.6
189.12708	10.5
199.14839	3.4
201.16360	4.0
207.13782	33.5
213.16429	2.9
215.18050	1.7
219.17471	2.6
225.14813	4.4
237.14699	1.9
281.17551	2.1
306.19345	1.6
341.24426	1.6
351.23199	4.3
369.24194	5.3
387.24969	1.5
407.33167	2.7
425.34271	6.0
443.27991	6.3
443.34616	6.7
461.28970	70.7
461.34985	2.4
462.29242	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	461.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.0
55.01862	24.2
55.05504	47.5
57.03428	15.3
57.07056	2.3
59.04984	2.3
65.03920	4.9
67.05495	94.1
69.03407	4.0
69.06742	3.2
69.07059	35.1
71.04976	8.5
71.71487	3.1
73.54857	2.0
79.05019	4.1
79.05482	84.4
81.02946	2.7
81.03408	48.7
81.07043	89.3
83.04969	17.8
83.08613	24.3
85.06521	3.9
91.05470	82.3
93.07034	82.6
95.04953	42.2
95.08588	44.4
97.02849	2.0
97.06522	28.0
97.10159	13.3
99.08080	2.3
103.05449	4.2
105.07021	59.7
106.07341	2.2
107.04937	24.2
107.07911	3.0
107.08584	38.8
107.52374	1.9
109.06521	10.5
109.10139	19.4
111.04369	2.3
111.08060	9.8
112.99998	34.4
113.09612	2.3
115.05439	6.4
117.07000	36.2
119.04909	3.2
119.08569	38.1
121.06491	20.6
121.10118	28.9
123.08048	7.5
123.11705	3.1
125.09631	18.2
127.07542	2.8
128.06242	5.0
129.07005	23.6
131.04909	5.7
131.08562	36.0
131.09512	1.8
133.06497	9.4
133.10132	30.1
134.10437	2.1
135.08031	8.7
135.11664	17.0
136.08478	2.2
137.09583	5.6
141.04449	2.2
141.06970	4.9
142.07704	3.0
143.08549	17.6
144.09288	2.4
145.06490	19.8
145.10115	18.4
147.08060	13.6
147.11655	16.4
149.09583	19.6
149.13240	20.8
151.11177	3.7
153.09100	4.6
154.07732	2.5
155.08565	11.2
157.06458	3.7
157.10110	19.6
159.08076	4.5
159.11682	17.5
161.06015	2.6
161.09599	5.3
161.13228	7.0
163.11160	11.5
167.08482	3.1
168.09306	2.2
169.02600	11.4
169.10106	8.0
171.08052	4.8
171.11697	7.0
173.09598	4.1
173.13225	6.3
175.11180	8.4
177.12746	11.0
179.08435	2.6
179.14311	3.1
181.10159	2.1
183.11670	5.6
185.09587	3.2
185.13228	5.6
187.03735	3.3
187.11147	5.2
189.09267	2.5
189.11168	8.3
189.12709	3.9
193.10640	3.1
193.12187	17.0
195.11766	3.8
195.13637	4.8
197.09563	3.6
197.13223	6.4
199.14818	5.1
201.12708	5.1
203.14433	2.6
205.12195	2.4
207.13876	2.4
209.13199	3.1
215.14403	2.4
217.15848	6.0
227.12714	6.6
239.14197	3.4
243.13664	2.2
249.14839	3.2
257.15195	4.1
257.18994	4.8
273.18674	2.1
275.16962	3.6
275.20020	26.2
311.08304	2.2
341.24765	7.2
349.23734	20.9
351.23029	15.1
369.24252	35.4
387.25229	16.8
405.26297	4.3
417.25873	5.2
425.26834	3.2
443.27814	34.6
443.33829	3.6
444.28073	3.0
461.28906	100.0
462.29410	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	461.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.1
55.01848	4.0
55.05500	27.4
57.03445	7.3
57.07064	2.3
65.03918	4.8
67.05494	85.4
69.03413	2.7
69.07055	23.0
69.71149	3.8
69.71574	7.6
71.01319	2.8
71.04971	4.5
79.05479	100.0
80.05796	1.8
81.03404	19.1
81.07042	64.2
83.04970	19.0
83.08614	11.3
85.06525	4.1
91.05467	69.2
93.07031	92.7
95.04958	30.3
95.08593	30.4
97.06519	13.3
97.10151	10.7
98.20656	1.5
99.08057	3.0
103.05464	2.1
105.07011	44.0
107.04930	9.3
107.08572	39.9
109.06476	7.0
109.10129	9.9
111.08042	5.6
112.99976	7.5
117.06991	13.6
119.08546	22.8
121.06491	6.5
121.10135	13.1
123.08040	4.8
125.09605	3.4
127.07509	1.9
128.06200	3.1
129.06978	15.7
131.08549	10.7
133.06456	2.7
133.10106	13.7
135.08025	1.9
135.11681	37.1
137.09587	3.1
141.06953	1.8
143.08542	8.9
145.06467	3.0
145.10112	14.3
147.07986	3.6
147.11661	27.7
149.09668	1.7
149.13190	4.6
151.11168	3.5
155.08572	3.0
157.10074	3.4
159.11653	3.3
161.09579	5.0
161.13220	7.3
163.11165	5.9
169.02577	2.7
171.11676	25.1
175.11105	2.6
177.12636	2.4
179.14140	1.5
181.12167	7.8
189.12740	10.0
193.12207	2.7
199.14861	1.8
206.75266	1.4
207.13777	26.7
225.14780	5.2
249.14682	1.9
255.15900	2.3
263.16296	2.0
281.17285	1.8
293.21036	3.1
331.25400	1.8
351.23123	3.9
369.24313	6.2
387.25195	2.3
405.26492	1.7
443.27789	6.8
461.28918	69.7
462.29407	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	461.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00227	2.1
53.03925	8.7
55.01857	14.8
55.05274	2.8
55.05500	36.3
57.03411	6.9
57.07062	3.2
58.86929	2.2
62.25677	2.6
63.69775	2.2
65.03926	3.3
67.05494	76.7
69.03411	8.0
69.07055	21.0
71.04974	5.1
75.72644	2.3
79.05479	64.2
81.03401	40.7
81.07037	85.2
81.87260	2.3
83.04965	14.9
83.08600	24.8
85.02855	5.8
85.06509	6.4
91.05460	65.2
92.05815	2.3
93.07024	65.0
95.04948	38.4
95.08588	35.4
96.05258	2.6
96.08932	2.8
97.02879	3.8
97.06500	11.9
97.10147	16.9
99.08055	3.4
99.54151	2.2
103.05477	3.9
105.03381	2.6
105.07010	55.3
106.07322	3.6
107.04945	15.8
107.08564	37.7
109.06489	8.8
109.10135	18.7
111.04372	2.8
111.08049	7.1
115.05455	5.4
117.07004	25.9
119.08549	32.6
121.06490	23.0
121.10117	24.2
123.08042	5.5
123.11646	4.4
125.05969	2.8
125.09590	11.3
128.06183	2.8
129.06981	24.7
131.04878	4.9
131.08540	44.2
133.06474	10.8
133.10115	21.7
135.08029	7.3
135.11664	9.0
137.09590	4.3
141.06967	8.1
142.07726	6.5
143.08533	16.0
145.02776	3.6
145.06488	13.0
145.10135	14.2
145.11055	2.5
147.04350	3.5
147.08032	10.1
147.11676	13.6
148.08298	2.3
149.09596	9.8
149.13228	22.5
149.77232	2.7
151.03908	3.2
151.11197	3.5
153.06943	3.6
154.07779	2.8
155.08571	11.4
157.06404	2.5
157.10100	19.0
159.08026	8.6
159.11670	14.8
161.09621	5.3
161.13275	4.4
163.11131	7.0
165.09090	10.9
167.08510	3.7
169.10110	9.9
171.08002	4.1
171.11641	7.2
173.09593	4.9
173.13196	4.1
175.11156	9.7
176.11555	2.3
177.05438	10.2
177.12712	17.7
181.10078	4.6
183.11665	8.1
185.09607	2.7
185.13263	4.8
186.81776	2.5
187.14795	4.4
189.11249	9.1
189.16389	3.8
193.10500	2.6
193.12169	15.0
195.11514	3.5
195.13803	3.9
197.09709	2.7
199.14824	6.4
201.12730	5.4
203.14307	4.4
205.12172	2.7
207.11664	4.0
209.13254	4.7
211.11154	2.3
211.14856	2.8
212.45761	2.5
213.14777	3.5
215.14417	6.4
217.15897	8.3
219.13704	2.5
221.13196	3.2
225.12796	2.8
227.12723	6.0
231.13728	3.9
231.17435	2.6
231.41841	2.5
249.14650	3.9
257.15195	3.9
259.16980	2.3
267.15866	3.6
275.19955	3.7
285.18411	3.3
323.23840	3.2
333.22122	5.0
341.24658	5.6
343.22760	2.9
351.23132	22.5
369.24146	30.9
387.25067	19.4
405.26401	2.8
407.25995	3.1
425.26901	3.4
443.27798	37.0
461.15872	8.4
461.28812	100.0
462.29416	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	461.3619
Annotation	Hyrtiosterol
Peak:m/z	Relative Intensity
53.03923	6.4
53.14997	2.3
55.01847	5.9
55.05500	32.5
57.03423	6.4
57.07052	10.0
59.05008	2.2
65.03913	4.4
67.05185	3.5
67.05493	42.6
69.03414	4.0
69.07061	23.2
69.28946	2.4
71.04974	5.1
71.71191	3.0
79.05478	45.4
81.03400	18.9
81.07042	72.1
82.03738	2.8
83.04959	10.5
83.08608	23.5
84.08143	2.6
85.06511	3.6
91.05463	57.8
93.07024	65.8
95.04938	21.8
95.08585	59.0
97.06496	7.1
97.10146	9.8
99.08074	14.8
105.07005	68.7
106.78936	2.4
107.04954	13.3
107.08572	77.2
109.06482	7.3
109.10130	50.8
111.08046	8.3
112.99992	3.8
115.05434	4.6
116.06324	2.8
117.06981	15.2
119.08557	66.0
120.08860	4.0
121.06502	18.7
121.10123	47.3
123.08054	12.6
123.11695	15.7
125.09602	7.9
125.40551	2.5
128.06186	3.5
129.06958	15.1
131.08537	41.7
132.09000	3.1
133.06459	8.5
133.10100	59.4
135.08031	24.2
135.11667	32.7
137.05971	3.8
137.09608	6.4
137.13176	4.4
139.11171	3.2
141.06946	4.0
143.08522	16.7
145.06424	10.5
145.10088	41.1
147.08070	3.8
147.11668	32.4
148.12018	3.7
149.09605	18.8
149.13193	16.2
151.11159	7.6
155.08485	5.6
157.10109	17.6
159.08078	5.1
159.11653	31.6
161.09587	6.3
161.13240	19.6
163.11163	10.9
163.14816	20.1
165.09103	4.6
165.12744	3.6
169.02568	3.0
169.10019	3.9
170.10831	3.3
171.11647	15.0
173.09566	3.9
173.13208	17.6
175.11150	7.6
175.14784	17.5
177.12695	6.4
177.16345	16.0
183.11647	7.1
185.13210	13.1
187.14798	57.0
189.11157	3.9
189.12740	3.1
189.16325	11.3
191.14322	5.3
191.17934	5.1
193.12178	6.9
195.11784	3.8
195.13835	5.6
197.09509	2.7
197.13194	3.9
199.14775	11.8
201.16325	22.1
203.14276	4.0
203.17940	6.6
205.15848	66.0
206.16150	3.2
207.17430	3.5
211.14883	3.1
213.16428	5.4
215.14204	3.9
215.17860	5.2
217.15852	6.8
219.17406	13.0
223.16872	41.0
231.13898	2.7
231.17342	7.1
237.31334	3.4
241.19348	3.7
245.18973	5.9
257.04617	3.6
257.15253	2.9
275.19995	3.3
341.24567	3.1
347.25790	9.3
351.22885	8.5
369.24106	15.7
373.27319	100.0
374.27530	3.3
387.25143	10.6
395.32938	3.7
407.33112	19.4
425.26529	4.2
425.34009	29.0
443.27994	15.5
443.35150	89.6
444.35474	6.9
461.28741	45.6
461.35907	19.0
462.28577	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	461.3619
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
52.20841	0.9
53.03934	3.0
55.01865	9.6
55.05236	1.4
55.05502	22.8
57.03428	5.1
57.07055	2.7
59.04988	1.5
65.03934	1.6
67.05495	33.2
69.03408	2.8
69.07058	17.7
69.63702	8.4
71.04977	3.5
71.08624	1.0
79.05022	1.7
79.05482	29.5
80.05815	1.4
81.03403	9.3
81.07044	45.0
83.04983	5.8
83.08604	13.2
85.02874	1.4
85.06509	3.2
91.05465	31.7
93.07030	38.5
95.04948	12.1
95.08589	34.9
97.02872	1.1
97.06507	11.1
97.10155	6.9
98.20693	2.0
99.08031	4.5
103.05458	1.6
105.04518	1.6
105.07014	39.4
107.04935	8.9
107.08579	40.8
109.06495	8.7
109.10137	26.9
111.08083	5.7
113.00002	29.3
113.09628	1.1
115.05459	1.3
117.06992	11.3
118.07305	1.2
119.08565	31.8
120.08904	1.0
121.06503	9.2
121.10123	27.8
122.10480	1.3
123.08068	5.1
123.11684	10.9
125.09592	6.6
128.06218	1.3
129.06981	7.7
130.07771	1.6
131.04912	1.3
131.08540	21.3
131.09464	2.0
132.09109	0.9
133.06471	4.3
133.10109	33.5
134.10504	1.3
135.08034	10.7
135.11665	16.7
137.05963	2.6
137.09598	6.4
137.13245	2.9
139.07481	1.7
139.11165	1.6
141.07004	2.3
142.07806	1.2
143.08530	6.6
145.06439	5.3
145.10112	26.7
147.08011	3.5
147.11664	19.9
149.09602	19.8
149.13210	9.6
150.09929	1.0
151.11140	5.6
153.09103	2.4
155.08530	3.9
157.10103	8.2
158.10847	1.1
159.07986	1.8
159.11687	17.3
161.09596	3.3
161.13251	11.1
163.11156	11.8
163.14807	8.5
165.09091	3.2
165.12785	2.1
169.02568	9.8
169.10158	3.3
171.10251	1.6
171.11665	5.2
173.09628	2.0
173.13240	8.6
175.11154	2.5
175.14799	5.5
177.12764	5.3
177.16370	5.3
179.14276	1.3
183.11674	3.8
185.13252	6.2
187.03641	3.7
187.11150	2.4
187.13234	1.9
187.14795	18.2
189.11209	3.5
189.16397	6.6
191.14255	4.3
191.17938	3.1
193.12207	3.9
195.11827	1.1
195.13655	2.0
197.13266	3.6
199.14856	4.7
201.12770	2.0
201.16362	13.0
203.14262	2.8
203.18004	2.4
205.15854	24.5
207.17477	6.0
211.14960	1.4
213.16322	2.4
215.14331	2.3
215.17990	3.8
216.65758	1.2
217.12238	1.2
217.15831	3.6
219.17441	17.7
223.16867	13.4
227.12703	3.9
227.17894	2.9
229.19466	2.4
231.13872	1.7
231.17354	2.0
239.17914	2.6
245.19020	1.8
247.20584	2.3
257.18927	4.4
267.15540	1.2
271.16879	1.2
275.20016	20.8
276.20438	1.3
323.23434	1.2
331.22614	1.3
337.25104	1.2
341.24677	1.4
347.25888	2.1
349.19617	1.6
349.23666	20.7
350.24023	3.0
351.23178	4.6
367.30130	1.0
369.24100	9.2
373.27328	29.5
387.25085	3.9
407.33115	8.8
425.27151	1.6
425.28131	1.7
425.34186	12.2
443.28079	7.3
443.35141	100.0
444.35583	5.0
461.28796	22.6
461.36066	21.0
462.29062	1.6
462.36081	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3619
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
51.02387	1.8
53.03933	4.9
55.01867	3.9
55.05503	29.0
57.03421	6.1
57.07060	3.3
65.03931	3.8
67.05496	47.7
69.03391	2.6
69.07064	27.6
69.69067	13.7
71.05010	1.8
73.06552	2.9
79.05480	44.4
81.03397	6.9
81.07047	45.1
82.07385	2.2
82.62754	1.8
83.04969	8.9
83.08608	18.7
84.00529	1.9
85.06528	2.3
88.34113	1.8
91.05466	40.5
93.07034	70.1
95.04955	15.1
95.08595	44.0
97.06515	9.7
97.10152	11.7
99.08080	3.6
105.07012	44.8
107.04935	5.2
107.08580	53.1
109.06498	6.6
109.10145	31.9
111.08061	9.4
115.05453	2.1
116.06271	1.7
117.07005	8.8
119.08564	63.3
121.06488	6.2
121.10122	38.6
121.67303	1.8
123.08073	6.7
123.11684	13.3
125.09619	5.9
128.06200	2.4
129.06955	9.6
131.08543	20.2
133.06445	3.1
133.10115	38.8
135.08022	16.9
135.11678	33.0
137.09592	12.4
139.11163	4.4
143.08575	10.0
144.09338	2.4
145.06549	2.4
145.10109	42.2
147.07986	1.9
147.11667	30.8
149.09589	26.5
149.13245	9.5
149.35268	1.8
151.11189	8.0
153.12756	5.0
156.09274	2.2
157.10191	11.7
159.11687	33.0
161.09644	2.6
161.13208	14.3
163.11211	9.7
163.14792	23.6
165.12712	2.9
169.10147	4.8
170.10983	2.0
171.11684	14.9
173.13232	11.5
175.11140	3.0
175.14844	14.6
177.12762	7.4
177.16370	11.4
179.14360	2.7
181.15785	10.4
183.11703	5.4
185.13205	7.5
187.14784	26.8
189.12762	6.1
189.16360	9.5
191.14351	3.6
191.17938	3.1
197.13321	2.5
199.14784	16.6
201.12805	3.1
201.16362	36.2
203.14331	2.7
203.17995	6.1
205.15840	24.9
207.13783	11.7
207.17456	3.7
211.14769	3.3
213.16325	9.0
215.17863	10.5
219.17421	26.8
223.16861	8.9
225.16507	2.6
227.14265	2.1
227.17863	6.0
231.17371	2.6
233.18979	3.0
237.18459	4.6
243.17476	8.6
245.19014	2.2
247.20523	3.1
247.34886	2.1
261.18521	2.9
326.21335	1.8
337.25098	5.1
373.27298	24.2
389.31888	4.4
407.33081	32.2
425.34167	39.3
443.35162	100.0
444.35391	3.0
461.28903	26.6
461.36090	16.3
462.29047	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.8
53.03929	6.4
55.01860	6.6
55.05505	33.2
57.03422	5.7
57.07059	5.0
59.04988	3.7
65.01474	1.8
65.03925	4.0
67.05500	41.1
67.82459	2.0
68.05827	4.4
69.03427	6.0
69.07061	25.8
69.92965	8.1
69.93371	4.4
70.07329	2.1
71.04984	5.0
79.05485	40.9
80.05820	3.1
81.03404	42.0
81.07043	59.3
82.03754	9.7
82.07381	2.6
83.04958	9.7
83.08613	27.9
84.05284	3.0
84.08931	5.5
85.02888	2.5
85.06534	4.9
91.05464	45.3
92.05809	5.2
92.17228	1.9
93.07034	56.2
94.07355	3.2
95.04964	21.7
95.08595	53.5
96.05296	4.5
96.08929	2.7
97.06512	7.2
97.10168	10.6
97.98067	1.9
98.10475	3.9
98.20744	2.1
99.08090	12.4
101.65802	2.5
103.05479	2.9
105.07014	54.0
106.07355	3.2
107.04962	12.4
107.08579	65.3
108.05220	2.8
108.08912	4.9
109.02807	2.4
109.05854	2.3
109.06477	14.1
109.10143	42.4
111.04433	2.5
111.08066	10.6
111.23634	2.2
113.00005	9.3
115.05450	2.6
117.07012	12.4
118.07349	3.0
119.08562	58.8
120.08934	4.4
121.06500	16.7
121.09261	3.3
121.10135	51.4
123.08040	11.3
123.11710	10.8
125.09609	7.2
128.06224	3.4
129.07025	11.1
130.07344	3.9
131.08557	38.4
132.08870	4.0
133.06467	8.2
133.10110	64.2
135.08041	24.4
135.11668	26.8
137.09587	8.4
137.13257	3.7
139.07474	2.1
139.11107	3.3
141.07037	2.8
143.08594	10.5
145.06494	11.5
145.10107	44.0
146.06850	4.6
146.10507	2.5
147.08069	5.9
147.11655	35.4
148.11966	2.2
149.09625	20.1
149.13245	14.9
151.11168	5.6
153.12715	3.0
155.08580	5.0
157.10153	15.4
158.10522	3.9
159.08052	4.4
159.11655	27.7
161.09581	6.1
161.13251	16.8
163.03923	3.6
163.11151	8.2
163.14818	18.0
164.43294	2.0
165.09087	12.6
165.12688	2.9
169.02634	2.7
169.10068	4.7
171.11693	9.8
172.12398	2.6
173.13246	13.9
175.11189	8.4
175.14809	11.8
176.11517	2.4
177.12758	7.0
177.16342	10.4
179.14386	4.0
182.53868	2.0
183.11661	5.9
185.13232	13.5
187.14809	50.0
189.11142	3.7
189.12741	2.9
189.16328	14.3
190.30109	2.0
191.14240	4.9
193.12263	10.6
194.12608	9.5
195.11674	2.5
197.13301	4.5
199.14822	6.4
201.16353	20.1
203.14302	6.3
203.17950	7.8
205.15854	59.9
207.17444	6.7
211.14867	4.3
213.16371	8.2
215.14348	2.9
215.17950	3.9
217.15790	3.4
219.17415	12.9
223.16913	37.7
225.16399	3.6
227.17949	4.4
229.15683	2.3
229.19426	2.6
231.17410	4.7
233.18748	2.0
245.18968	3.8
255.21065	3.2
273.22311	3.2
275.15472	3.6
275.20065	5.0
337.25153	2.4
347.25784	7.7
349.23831	4.3
351.22620	4.5
362.35123	2.1
369.23505	15.8
373.27332	86.0
374.12448	2.2
374.27728	2.8
386.24042	3.6
387.24341	15.0
389.32254	3.4
405.25549	2.1
407.33081	22.8
425.34146	27.3
443.28680	5.9
443.35184	100.0
444.35507	5.6
461.28226	45.6
461.35895	21.3
462.28290	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	461.3635
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
51.02391	1.8
53.03929	6.4
55.01860	6.6
55.05505	33.2
57.03422	5.7
57.07059	5.0
59.04988	3.7
65.01474	1.8
65.03925	4.0
67.05500	41.1
67.82459	2.0
68.05827	4.4
69.03427	6.0
69.07061	25.8
69.92965	8.1
69.93371	4.4
70.07329	2.1
71.04984	5.0
79.05485	40.9
80.05820	3.1
81.03404	42.0
81.07043	59.3
82.03754	9.7
82.07381	2.6
83.04958	9.7
83.08613	27.9
84.05284	3.0
84.08931	5.5
85.02888	2.5
85.06534	4.9
91.05464	45.3
92.05809	5.2
92.17228	1.9
93.07034	56.2
94.07355	3.2
95.04964	21.7
95.08595	53.5
96.05296	4.5
96.08929	2.7
97.06512	7.2
97.10168	10.6
97.98067	1.9
98.10475	3.9
98.20744	2.1
99.08090	12.4
101.65802	2.5
103.05479	2.9
105.07014	54.0
106.07355	3.2
107.04962	12.4
107.08579	65.3
108.05220	2.8
108.08912	4.9
109.02807	2.4
109.05854	2.3
109.06477	14.1
109.10143	42.4
111.04433	2.5
111.08066	10.6
111.23634	2.2
113.00005	9.3
115.05450	2.6
117.07012	12.4
118.07349	3.0
119.08562	58.8
120.08934	4.4
121.06500	16.7
121.09261	3.3
121.10135	51.4
123.08040	11.3
123.11710	10.8
125.09609	7.2
128.06224	3.4
129.07025	11.1
130.07344	3.9
131.08557	38.4
132.08870	4.0
133.06467	8.2
133.10110	64.2
135.08041	24.4
135.11668	26.8
137.09587	8.4
137.13257	3.7
139.07474	2.1
139.11107	3.3
141.07037	2.8
143.08594	10.5
145.06494	11.5
145.10107	44.0
146.06850	4.6
146.10507	2.5
147.08069	5.9
147.11655	35.4
148.11966	2.2
149.09625	20.1
149.13245	14.9
151.11168	5.6
153.12715	3.0
155.08580	5.0
157.10153	15.4
158.10522	3.9
159.08052	4.4
159.11655	27.7
161.09581	6.1
161.13251	16.8
163.03923	3.6
163.11151	8.2
163.14818	18.0
164.43294	2.0
165.09087	12.6
165.12688	2.9
169.02634	2.7
169.10068	4.7
171.11693	9.8
172.12398	2.6
173.13246	13.9
175.11189	8.4
175.14809	11.8
176.11517	2.4
177.12758	7.0
177.16342	10.4
179.14386	4.0
182.53868	2.0
183.11661	5.9
185.13232	13.5
187.14809	50.0
189.11142	3.7
189.12741	2.9
189.16328	14.3
190.30109	2.0
191.14240	4.9
193.12263	10.6
194.12608	9.5
195.11674	2.5
197.13301	4.5
199.14822	6.4
201.16353	20.1
203.14302	6.3
203.17950	7.8
205.15854	59.9
207.17444	6.7
211.14867	4.3
213.16371	8.2
215.14348	2.9
215.17950	3.9
217.15790	3.4
219.17415	12.9
223.16913	37.7
225.16399	3.6
227.17949	4.4
229.15683	2.3
229.19426	2.6
231.17410	4.7
233.18748	2.0
245.18968	3.8
255.21065	3.2
273.22311	3.2
275.15472	3.6
275.20065	5.0
337.25153	2.4
347.25784	7.7
349.23831	4.3
351.22620	4.5
362.35123	2.1
369.23505	15.8
373.27332	86.0
374.12448	2.2
374.27728	2.8
386.24042	3.6
387.24341	15.0
389.32254	3.4
405.25549	2.1
407.33081	22.8
425.34146	27.3
443.28680	5.9
443.35184	100.0
444.35507	5.6
461.28226	45.6
461.35895	21.3
462.28290	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	462.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.9
55.02246	2.3
57.03421	22.3
57.48497	2.8
60.04494	6.0
61.02910	10.6
67.05480	2.8
67.81110	2.4
69.03424	31.2
69.94140	11.9
70.06573	8.8
71.01348	3.9
73.02906	43.7
79.05457	5.6
81.03406	8.6
81.07053	6.3
85.02892	51.7
86.09673	4.8
87.04491	2.8
91.05456	29.0
92.05807	3.7
93.07038	6.2
94.06548	3.6
94.83798	2.9
95.04955	6.8
95.08573	4.2
97.02877	34.4
99.04449	3.0
103.03977	4.7
105.06998	13.7
106.06528	4.3
107.04933	48.6
107.08555	3.6
109.02882	4.6
109.06484	7.7
109.10137	2.8
115.03918	28.7
117.05766	4.9
120.08099	31.1
121.02872	3.3
121.06455	5.0
122.09623	3.7
123.08006	3.5
127.03907	15.8
130.06526	4.9
131.04900	5.5
132.08081	57.4
133.04913	7.6
133.06505	16.7
137.05966	3.9
145.04936	14.1
147.04375	4.3
147.11630	3.4
148.07401	2.8
150.09114	100.0
153.01833	4.4
157.07616	5.1
167.10635	4.0
168.10139	22.9
177.05431	3.0
180.40770	2.6
192.55104	3.4
261.09885	7.5
265.09219	3.2
265.14435	4.7
273.58102	2.9
282.12302	13.6
287.05438	68.1
300.08569	3.6
312.14328	13.8
330.15433	4.4
462.20013	23.7
463.09775	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08817	0.5
53.03918	1.0
55.01861	0.9
56.05013	0.9
57.03432	7.0
57.59641	0.5
60.04510	0.8
61.02929	2.5
63.32688	0.5
67.01862	0.6
67.05506	0.7
69.03422	10.2
70.06575	2.4
70.14621	2.9
71.01334	0.7
71.04983	0.9
71.94431	0.5
73.02910	14.7
79.05486	2.8
81.03397	1.8
81.07044	1.5
82.27811	0.5
83.04961	0.9
84.04483	0.8
84.08146	0.9
85.02893	14.2
85.06561	0.6
86.09695	1.2
87.04456	1.9
91.05463	9.5
94.06535	1.1
95.04963	3.0
95.08585	0.6
97.02884	9.5
98.20814	0.7
99.04453	0.9
103.03930	1.3
105.07030	4.6
106.06528	2.0
107.04942	14.9
107.08565	0.6
109.02834	1.4
109.06510	2.7
111.04436	1.5
115.03916	6.5
115.05475	0.9
117.05766	1.3
119.04897	0.5
119.08583	0.5
120.08100	10.1
121.06485	0.9
121.10175	0.8
122.09647	1.4
124.07557	0.9
127.03897	3.6
130.06535	0.7
132.08081	21.2
132.09068	1.2
133.04962	1.4
133.06482	4.8
135.04445	2.5
137.02354	0.6
137.05945	0.8
145.04962	2.1
147.04405	0.7
150.09123	27.5
151.07506	0.6
153.01779	3.8
157.07640	1.4
159.11525	0.6
168.10173	4.8
176.23747	0.5
258.05069	0.8
269.04358	1.0
282.12521	1.3
286.04608	1.4
287.05469	100.0
312.14343	3.5
330.15332	1.4
462.14075	0.8
462.19797	4.5
463.08801	2.0
488.75296	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0862
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
67.01851	0.7
68.99779	0.4
70.14736	0.7
89.03909	0.2
117.03367	0.2
135.04396	1.8
137.02318	0.6
148.19633	0.1
149.34778	0.1
153.01807	4.9
161.02335	0.5
171.02838	0.5
179.03378	0.3
185.05765	0.2
203.03378	0.1
213.05247	0.2
241.04886	0.4
259.06125	0.2
269.04410	0.5
287.05450	100.0
288.05795	1.8
349.33731	0.1
463.08655	1.8
464.45703	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	463.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51423	0.8
55.01858	1.1
56.96278	0.7
56.96553	17.7
67.05481	1.1
69.03403	1.9
69.74230	0.8
70.28418	4.7
71.95244	1.4
76.04298	0.9
81.03407	10.7
84.96023	7.0
85.02894	3.0
91.95624	0.8
93.07011	1.0
95.04955	3.7
97.02892	1.9
97.87251	0.8
98.97569	67.2
99.05583	1.0
102.96991	1.4
110.97547	7.7
111.04426	3.0
112.99120	43.6
116.98607	50.1
121.06502	1.5
123.04425	3.3
124.99107	1.2
127.03859	1.3
128.98592	13.2
131.00154	97.6
131.04970	1.2
134.99644	23.1
136.06129	1.2
137.00838	1.0
137.05992	1.5
140.00185	1.9
143.00128	6.0
146.99644	10.1
149.01210	76.4
149.05949	2.0
153.00699	3.0
154.01753	4.5
158.01199	1.3
158.99641	21.8
161.01208	7.7
161.02449	1.1
161.02991	1.2
165.00694	1.2
167.00168	0.9
167.02280	8.8
167.07022	1.7
170.99664	4.3
172.02805	2.5
173.01199	85.5
174.01566	1.2
177.00700	40.6
179.02211	1.7
185.01157	5.3
189.00671	5.2
191.02255	100.0
192.02628	1.8
195.01770	4.4
195.03322	1.2
197.01213	1.5
200.02281	2.5
201.00562	4.5
203.02277	3.7
209.01451	1.4
209.03267	5.2
213.04301	1.7
214.03857	9.3
215.02283	3.7
219.01732	39.6
220.02165	1.5
223.02745	12.3
231.05261	1.1
233.03310	78.4
234.03604	1.9
236.07500	1.0
237.02795	70.2
238.03230	1.2
241.03850	10.8
242.03458	2.2
244.11919	1.3
245.03342	1.6
255.03845	5.2
259.04877	3.7
260.04523	4.1
265.03812	4.0
269.03287	1.1
275.04346	9.2
277.05875	3.3
279.03903	3.0
283.04846	16.3
285.02753	2.6
293.05362	4.1
301.06067	5.5
303.03806	7.6
311.04361	3.5
329.05365	3.8
343.06998	1.5
403.09039	18.5
421.10132	87.9
422.10510	3.1
444.11722	4.1
463.11136	59.1
464.11438	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1227
Annotation	Kaempferide 3-glucoside
Peak:m/z	Relative Intensity
50.02032	0.1
54.52161	0.1
55.05480	0.1
57.03395	0.1
67.01842	0.1
67.05480	0.2
68.43226	0.1
69.03397	0.3
69.07054	0.1
70.16901	0.2
77.44923	0.1
79.05468	0.1
81.03400	0.2
81.07052	0.4
85.02868	0.3
91.05439	0.2
93.07001	0.3
95.04917	0.1
95.08571	0.2
97.02850	0.1
100.11198	0.1
105.06992	0.1
107.08544	0.1
109.02836	0.1
119.04901	0.1
121.10133	0.2
123.04402	0.1
123.11681	0.2
125.09600	0.1
127.03849	0.1
131.08514	0.1
135.04387	0.1
137.05991	0.1
147.04387	0.7
149.05901	0.2
149.09563	0.1
153.01785	0.8
177.05380	0.1
195.69276	0.1
201.92540	0.1
229.04848	0.4
255.10913	0.1
257.04370	0.2
258.05188	17.7
259.05630	0.8
286.04660	37.5
287.05353	6.3
288.05722	0.3
301.06998	100.0
302.07318	3.9
351.17776	0.1
463.12738	0.4
483.48703	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	463.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85721	1.2
53.03933	2.0
53.61906	1.1
55.01855	1.9
55.05499	16.0
56.67147	1.3
57.03432	10.1
57.07060	2.4
58.53372	1.1
65.03922	1.6
67.05496	43.4
69.07067	14.6
69.64532	3.8
69.64960	7.0
71.04972	4.6
71.08619	41.2
79.05482	38.2
80.10701	1.3
81.03392	5.5
81.07044	49.2
83.04958	8.7
83.08602	10.0
85.06520	2.6
91.04915	2.3
91.05465	32.6
91.22237	1.4
93.07032	58.2
95.04951	9.5
95.08598	31.6
97.06532	10.8
97.10166	3.7
98.21442	1.7
99.08076	31.2
103.05424	1.4
105.07012	20.5
107.04923	6.8
107.08582	29.9
109.06554	2.9
109.10149	12.4
111.08064	3.0
111.36530	1.3
113.00002	100.0
113.09618	2.3
113.45058	1.3
117.07018	6.4
119.08556	18.3
121.06492	3.0
121.10114	20.8
122.53828	1.3
123.08035	2.1
123.11700	1.8
129.06993	3.4
130.70430	1.2
130.90280	1.7
131.08571	4.6
133.10085	12.9
135.08043	2.3
135.11668	28.6
136.12134	1.1
137.09610	3.2
141.09026	1.5
143.08553	3.0
145.10095	7.3
147.11658	5.3
149.13242	11.5
151.10022	2.2
151.11162	20.0
153.01814	1.7
157.10112	1.5
159.11655	3.8
161.13246	15.5
163.11169	13.4
163.14783	2.0
165.12671	2.2
167.10631	2.0
169.02605	45.1
170.47469	1.2
171.11691	3.1
173.13255	1.7
175.14772	2.6
177.12714	2.8
179.14293	77.2
180.14580	3.6
181.12164	1.6
184.07272	3.2
185.13147	2.4
185.54771	1.4
187.03627	8.4
189.12761	2.6
195.13863	2.4
219.13728	1.8
221.15338	2.0
221.79974	1.6
227.12749	2.0
231.21187	1.8
235.16862	2.9
241.19489	5.3
259.20480	9.6
277.21591	54.5
278.21783	2.3
287.05453	33.2
288.05951	1.4
295.22733	2.6
307.09363	1.4
347.16064	3.7
351.25250	68.3
352.25415	2.9
445.23401	5.5
463.25949	2.3
463.31100	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23338	1.3
53.03935	4.2
53.84342	1.3
55.01866	5.7
55.05508	17.4
57.03429	7.2
57.07058	2.6
61.53611	1.4
64.07031	1.3
64.70452	1.4
67.05499	47.3
69.03416	1.5
69.07059	16.7
69.60087	13.0
71.04987	3.7
71.08626	22.1
73.06580	1.4
79.05481	30.9
81.03416	14.2
81.07047	42.0
83.04962	8.7
83.08595	9.2
85.06543	2.8
90.04668	1.5
91.05464	27.1
93.07031	37.5
93.07587	2.9
95.04957	15.0
95.08598	18.7
97.06514	6.6
97.10172	8.2
98.21445	2.8
99.08089	16.0
105.07008	15.4
107.04937	3.9
107.08577	21.5
109.06503	6.4
109.10165	12.9
111.08081	3.6
113.00005	100.0
117.06991	7.1
119.08562	15.9
119.38831	1.4
121.06532	1.9
121.10114	9.8
123.08064	1.9
125.09611	5.4
129.06926	3.2
131.08543	6.4
133.10156	11.5
135.08055	2.1
135.11674	19.4
137.09581	1.9
137.13216	2.8
139.11110	1.6
141.12743	1.7
143.08554	5.1
145.10098	8.6
147.11713	7.3
149.09639	1.9
149.13216	7.9
151.11154	16.1
153.01828	3.7
153.09087	7.4
153.12704	2.7
157.10097	2.0
159.11642	3.5
161.13260	10.2
163.11188	11.7
163.14803	3.0
165.12764	2.8
169.02600	45.2
171.11684	3.5
173.11835	1.6
173.13246	3.7
175.14825	2.5
177.12793	3.6
179.14336	12.6
181.12311	2.1
183.11798	1.9
185.13242	4.4
187.03606	7.3
189.11079	2.2
227.12778	8.1
231.21053	2.3
241.19485	5.0
259.20615	7.8
277.21585	48.4
277.24579	2.6
278.21835	2.8
287.05478	70.4
288.05862	5.4
321.11066	3.2
339.11728	1.7
347.16049	1.7
351.25256	61.9
352.25705	3.3
402.82990	1.5
419.11484	1.5
445.23605	2.8
463.26813	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	463.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.1
55.01631	1.8
55.01865	17.8
55.05502	47.0
55.43975	1.5
57.03426	23.2
57.07072	4.2
59.04976	4.4
65.03915	4.7
67.05495	84.6
69.03416	3.0
69.07058	29.8
69.77228	5.4
69.77650	6.6
71.01343	8.8
71.04979	10.6
71.08609	5.7
79.05483	90.1
80.05031	2.1
80.05784	2.0
81.03402	24.3
81.07045	61.5
82.07353	2.0
82.66669	1.9
83.01344	9.7
83.04512	2.4
83.04970	31.6
83.08606	22.6
85.02867	5.9
85.06529	6.1
91.04928	3.4
91.05470	55.8
93.07033	100.0
94.07356	2.0
95.04957	24.5
95.08594	32.6
97.02868	2.5
97.06516	25.9
97.10166	16.5
98.21462	1.8
99.04427	3.9
99.08051	5.6
103.05428	2.2
105.04495	2.5
105.06339	2.2
105.07010	32.5
106.07336	1.7
107.04938	15.9
107.08577	70.6
109.06500	11.2
109.10129	14.5
111.04419	4.8
111.08080	8.7
111.11728	2.2
113.00001	16.2
115.05428	2.7
117.06995	20.4
119.07839	2.3
119.08563	23.9
121.06472	7.2
121.10133	20.2
123.08055	8.8
125.09600	7.6
129.06953	8.4
130.07762	2.7
131.08548	9.8
133.10100	11.1
135.04395	3.2
135.08025	6.7
135.11676	88.6
136.12003	1.9
137.09642	8.2
139.07596	2.0
142.03198	6.0
143.08505	3.9
144.02838	2.1
145.06422	1.9
145.10106	38.7
147.07968	2.8
147.11627	4.9
149.13211	1.9
151.11139	5.8
153.01770	5.5
153.12714	13.3
155.08501	3.7
157.10091	4.6
159.11635	2.9
161.13179	2.5
163.07629	1.9
163.11162	54.2
165.12662	1.7
169.02577	8.1
170.02646	2.6
171.11671	3.0
173.09587	5.5
181.12250	17.5
185.13254	3.9
187.14679	1.7
191.10651	5.3
199.13240	3.1
199.14798	2.9
203.14316	1.9
209.11673	11.6
219.17525	2.5
227.12677	11.9
245.05876	2.0
277.21570	9.0
284.84729	1.9
287.05463	86.7
288.05667	8.4
351.25418	9.3
389.26926	2.1
445.29761	2.1
463.08798	2.7
463.26715	78.6
464.27277	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	463.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39111	0.9
52.58936	1.0
53.03933	5.1
55.01862	5.5
55.05504	11.7
57.03426	6.2
57.07048	1.9
65.03914	3.0
67.05493	47.8
68.05786	1.1
69.03420	4.9
69.07057	11.5
70.06596	1.0
71.04980	4.9
71.28442	1.0
71.70123	1.3
72.44505	0.9
79.05480	29.2
81.03405	54.5
81.07041	38.0
82.07350	1.6
83.04961	10.4
83.08603	13.5
85.02869	1.8
85.06546	5.6
91.05467	40.3
91.06033	1.9
93.07029	33.8
95.04398	1.5
95.04953	19.2
95.08022	1.1
95.08591	17.6
97.02869	2.6
97.06509	6.7
97.10155	4.9
99.04428	3.2
103.05434	1.0
105.06340	2.0
105.07016	33.0
107.04931	7.8
107.08575	31.0
109.02837	1.2
109.06489	6.2
109.10139	38.1
111.04409	2.0
111.08046	4.5
112.99973	3.4
113.05987	1.9
115.05445	1.6
117.06989	6.5
119.04880	1.2
119.07823	1.4
119.08575	13.0
121.06474	4.7
121.10128	10.1
123.04394	1.1
123.08035	3.0
123.11707	5.8
125.09601	2.2
127.07517	2.1
128.06154	1.1
129.06982	6.8
131.08537	8.4
133.06488	1.9
133.10110	46.5
134.10443	1.4
135.04388	3.1
135.08034	2.9
135.11674	16.9
136.12012	1.3
137.09550	2.8
141.06926	1.0
142.07719	1.4
143.08586	1.7
145.10112	8.8
147.07977	2.8
147.11635	4.6
149.09567	3.0
149.13200	1.9
151.11160	27.0
153.01787	4.5
155.00941	1.2
157.10097	6.7
159.11623	2.4
161.09610	2.7
163.11150	13.3
165.12741	1.2
169.12212	5.8
171.02872	1.5
171.11650	1.0
173.09634	1.1
174.11986	1.1
175.11111	4.1
179.10667	3.3
181.12192	4.0
193.12221	15.3
215.12943	2.4
219.13828	2.2
227.10677	1.8
227.12747	22.1
249.14705	1.8
253.14290	23.6
272.19510	1.0
277.21460	1.5
287.05463	100.0
288.05722	9.1
301.06842	1.7
309.20294	1.0
325.21567	1.1
351.25040	4.2
369.91055	1.0
371.21835	2.0
389.23032	2.0
445.25204	5.2
445.35486	4.8
463.26724	35.7
464.27258	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17382	1.6
53.03928	5.9
55.01868	4.3
55.05503	25.3
56.66277	1.6
56.83028	1.5
57.03429	8.4
57.07058	4.8
65.03918	5.3
67.05494	75.2
69.03417	1.8
69.07053	28.3
71.04978	3.8
71.08609	2.6
71.70568	2.3
74.36271	1.8
79.05481	54.1
81.03395	4.6
81.07043	87.2
83.04969	7.2
83.08621	15.6
85.06526	6.5
91.05466	61.0
93.07031	69.8
95.04956	11.1
95.08591	39.3
97.06508	11.4
97.10157	5.9
99.08073	5.4
103.05480	3.7
105.07010	48.4
107.04930	7.0
107.08572	32.3
109.06505	5.8
109.10146	13.8
111.08036	7.0
115.05452	3.5
117.06995	23.8
119.08574	29.4
121.06480	6.5
121.10135	23.1
123.04396	1.8
123.08045	4.5
123.11648	2.9
125.09622	2.9
128.06219	2.2
129.06979	16.5
131.04977	2.1
131.08553	42.4
132.19925	1.8
133.06465	2.6
133.10118	21.5
135.08017	6.7
135.11693	9.6
137.09567	2.5
139.07506	1.8
141.06969	7.6
142.07787	2.1
143.08510	13.8
145.06387	2.9
145.10078	23.4
147.08026	4.7
147.11679	5.1
149.09586	4.9
149.13239	19.4
151.11108	3.2
153.01778	2.7
155.08502	5.3
157.10094	10.0
159.11642	16.2
161.13268	2.8
161.35123	1.9
163.11171	2.9
167.08525	2.6
169.10083	8.6
171.11661	7.9
173.09598	2.4
173.13254	3.8
175.11113	2.8
177.12744	5.0
181.10110	3.2
183.11703	5.1
185.13257	4.8
187.11162	2.7
187.14824	2.0
189.12701	2.0
195.11835	4.4
195.13795	10.0
195.96016	1.9
197.13171	4.8
199.11070	3.0
199.14786	2.3
209.13315	4.4
211.14877	2.8
215.14270	2.5
223.14835	2.3
233.15373	3.2
237.16618	2.3
241.83992	1.8
245.15439	1.9
247.16925	3.0
259.17090	2.1
261.18671	2.0
287.05450	100.0
288.05750	8.0
301.07010	2.8
325.25192	4.9
335.23605	6.2
342.04099	1.8
343.26154	8.3
351.48959	1.9
353.24741	20.9
371.25763	32.0
389.26837	25.9
445.29407	36.3
446.29877	2.0
463.30557	55.1
464.30579	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	463.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17382	1.6
53.03928	5.9
55.01868	4.3
55.05503	25.3
56.66277	1.6
56.83028	1.5
57.03429	8.4
57.07058	4.8
65.03918	5.3
67.05494	75.2
69.03417	1.8
69.07053	28.3
71.04978	3.8
71.08609	2.6
71.70568	2.3
74.36271	1.8
79.05481	54.1
81.03395	4.6
81.07043	87.2
83.04969	7.2
83.08621	15.6
85.06526	6.5
91.05466	61.0
93.07031	69.8
95.04956	11.1
95.08591	39.3
97.06508	11.4
97.10157	5.9
99.08073	5.4
103.05480	3.7
105.07010	48.4
107.04930	7.0
107.08572	32.3
109.06505	5.8
109.10146	13.8
111.08036	7.0
115.05452	3.5
117.06995	23.8
119.08574	29.4
121.06480	6.5
121.10135	23.1
123.04396	1.8
123.08045	4.5
123.11648	2.9
125.09622	2.9
128.06219	2.2
129.06979	16.5
131.04977	2.1
131.08553	42.4
132.19925	1.8
133.06465	2.6
133.10118	21.5
135.08017	6.7
135.11693	9.6
137.09567	2.5
139.07506	1.8
141.06969	7.6
142.07787	2.1
143.08510	13.8
145.06387	2.9
145.10078	23.4
147.08026	4.7
147.11679	5.1
149.09586	4.9
149.13239	19.4
151.11108	3.2
153.01778	2.7
155.08502	5.3
157.10094	10.0
159.11642	16.2
161.13268	2.8
161.35123	1.9
163.11171	2.9
167.08525	2.6
169.10083	8.6
171.11661	7.9
173.09598	2.4
173.13254	3.8
175.11113	2.8
177.12744	5.0
181.10110	3.2
183.11703	5.1
185.13257	4.8
187.11162	2.7
187.14824	2.0
189.12701	2.0
195.11835	4.4
195.13795	10.0
195.96016	1.9
197.13171	4.8
199.11070	3.0
199.14786	2.3
209.13315	4.4
211.14877	2.8
215.14270	2.5
223.14835	2.3
233.15373	3.2
237.16618	2.3
241.83992	1.8
245.15439	1.9
247.16925	3.0
259.17090	2.1
261.18671	2.0
287.05450	100.0
288.05750	8.0
301.07010	2.8
325.25192	4.9
335.23605	6.2
342.04099	1.8
343.26154	8.3
351.48959	1.9
353.24741	20.9
371.25763	32.0
389.26837	25.9
445.29407	36.3
446.29877	2.0
463.30557	55.1
464.30579	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	463.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.1
53.03944	3.8
54.79055	0.9
55.01861	3.4
55.05500	19.0
57.03428	6.3
57.07063	1.7
61.09721	1.1
65.03933	3.1
67.05491	75.6
67.72620	1.0
69.03423	1.7
69.07053	24.0
70.21745	1.8
70.22169	4.2
71.04971	6.2
79.05477	49.9
80.05859	0.9
81.03410	9.4
81.07041	100.0
82.07368	1.2
83.04961	8.7
83.08604	18.7
85.02889	1.1
85.06546	4.8
87.04479	1.2
91.05463	30.6
93.07026	68.6
95.04943	11.2
95.08584	27.6
97.06511	12.1
97.10176	2.6
99.04473	1.5
99.08090	3.2
105.04505	1.7
105.07001	14.9
105.07602	1.1
106.34911	1.0
107.04945	2.2
107.08570	34.8
109.06492	5.8
109.10143	10.7
111.08043	8.1
113.00003	1.5
115.05454	1.4
117.07005	11.4
119.08553	6.9
121.06533	3.5
121.10127	18.8
123.08018	2.4
123.11729	4.0
128.87436	1.0
129.07013	2.4
131.08549	14.9
131.09457	1.5
133.10104	17.3
135.04430	1.5
135.08073	2.7
135.11682	14.1
137.09637	1.8
139.07535	1.4
139.11208	2.0
143.08621	1.4
145.10080	4.9
147.08089	2.0
147.11728	2.4
149.09665	1.9
149.13231	36.5
151.11205	4.5
153.01770	5.2
155.08531	1.2
157.10213	2.7
159.11667	15.5
163.11261	3.1
167.14438	1.1
169.10164	1.2
171.03062	1.4
171.11707	1.3
175.11269	1.4
177.12726	6.4
179.55573	1.1
181.12181	1.2
193.12306	1.4
195.13763	15.5
195.15337	1.1
211.14761	1.4
213.14943	2.7
215.14664	1.0
227.12903	3.5
253.14482	3.4
280.17529	1.2
287.05435	79.7
288.05801	7.9
389.27130	1.6
445.30087	2.8
463.30783	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.1
53.03937	3.0
55.01855	2.9
55.05503	19.7
57.03428	6.2
57.07057	2.7
65.03947	3.4
67.05492	71.9
69.03420	2.5
69.07053	24.2
70.95336	1.4
70.95685	0.8
71.04974	5.5
77.03911	0.6
79.05479	46.8
81.03407	4.9
81.07041	100.0
82.07359	1.1
83.04961	6.7
83.08601	18.0
85.02873	2.1
85.06532	5.4
86.09689	1.6
91.05464	35.5
93.07028	62.7
95.04951	10.6
95.08591	33.6
96.08871	0.8
97.02869	1.5
97.06513	10.4
97.10153	2.8
99.04445	0.8
99.08076	2.6
105.04491	1.1
105.07007	17.8
107.04964	1.8
107.08575	34.9
109.02856	0.9
109.06482	3.7
109.10142	9.5
111.08059	6.6
111.11699	1.3
113.05995	1.0
113.09624	5.3
115.05444	1.2
117.06993	13.7
119.08563	7.6
121.06483	3.2
121.10124	18.7
123.04369	0.8
123.08079	1.8
123.11694	7.9
124.99974	0.8
125.09626	2.2
127.03931	1.1
127.07581	1.0
127.11176	0.6
128.06206	1.0
129.06955	3.8
131.08549	16.2
133.10098	14.8
135.04393	1.1
135.08051	2.8
135.11664	13.4
135.12634	0.9
137.06000	1.1
137.09608	0.9
139.11145	1.5
139.44287	0.6
141.07002	1.4
142.07773	0.7
143.08548	3.6
145.06398	0.9
145.10085	6.1
147.04416	2.0
147.08037	1.5
147.11656	3.1
149.09579	2.4
149.13235	31.7
151.07568	0.7
151.11172	2.0
152.40654	0.6
153.01819	2.4
155.08554	1.7
157.10138	3.2
159.11676	15.7
161.09651	1.4
161.13251	0.7
163.11140	0.7
163.14793	0.8
165.12701	0.9
167.08618	0.8
167.14307	2.0
169.10168	1.1
171.11671	2.1
173.13203	1.9
177.12714	6.5
181.10048	0.9
183.07988	0.6
183.11662	1.1
183.43233	0.9
184.07329	2.9
185.13243	1.6
187.14766	0.9
191.07071	0.8
195.13774	13.8
197.13268	1.0
199.14915	0.7
209.13179	1.0
211.14822	0.9
213.12889	0.8
213.14830	2.3
217.15808	1.0
233.15463	0.9
241.09518	0.9
241.15723	0.7
247.16983	0.8
255.11267	2.7
261.18582	0.7
265.25250	1.6
283.10760	1.8
283.20624	0.8
283.26266	2.0
286.04514	0.8
287.05453	48.2
288.05731	4.2
301.07010	3.5
301.11887	0.9
335.23981	0.7
343.26321	0.8
353.24756	4.0
358.45612	0.7
371.25745	4.4
389.26749	3.5
427.28149	1.1
445.29718	7.5
463.09177	1.3
463.30524	54.6
464.30829	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.0
53.03922	1.1
57.03414	4.0
59.49583	0.9
61.02909	2.3
69.03430	4.6
71.04967	1.4
71.36832	1.9
71.37173	1.0
73.02902	4.3
73.55983	1.0
77.03897	1.2
79.05457	3.4
80.11231	0.9
80.38852	1.1
81.03392	1.8
81.07005	0.9
84.65308	1.0
85.02449	1.5
85.02897	15.5
90.91641	0.9
93.07044	1.5
93.37125	0.8
95.04952	2.9
97.02908	5.9
101.01670	1.0
105.03345	1.1
105.06987	1.7
109.02862	2.9
115.03899	2.6
121.10126	0.9
127.03889	5.4
133.10126	1.1
135.04396	100.0
136.04718	2.2
137.05933	1.1
145.04941	6.5
147.04410	1.1
163.05943	2.9
243.08736	3.9
244.09520	2.0
287.05389	2.8
288.05780	5.8
378.15454	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.2
55.05513	0.3
56.05025	0.5
56.21762	0.2
57.03430	0.2
58.06622	0.3
59.42580	0.2
60.08157	6.1
60.51840	0.1
63.45771	0.2
67.05496	0.9
69.07043	0.2
69.39501	0.1
69.60247	1.2
71.04990	0.2
71.07367	2.8
71.07755	0.2
79.05470	0.6
81.03423	0.2
81.07037	0.8
83.04966	0.3
85.02919	0.2
86.09693	30.6
87.10034	0.4
91.05457	0.5
93.07024	0.7
95.04945	0.3
95.08601	0.8
97.02905	0.2
97.06516	0.2
98.98451	2.9
104.10724	3.0
105.07034	0.5
107.08598	0.3
109.10146	0.2
113.09630	0.3
119.04955	0.2
119.08548	0.5
120.52925	0.2
121.10119	0.2
124.99986	20.7
131.85533	0.2
132.40024	0.2
140.10704	0.1
143.01054	0.3
143.08492	0.1
144.98001	0.1
145.10106	0.3
147.04381	0.2
147.11607	0.4
171.11688	0.2
184.07317	100.0
185.07658	1.0
209.61304	0.2
287.05417	0.7
287.10327	0.2
288.05795	1.6
303.13409	0.3
446.22784	0.7
464.17841	0.2
464.23978	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	465.1021
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03927	0.8
55.01840	0.5
57.03413	1.0
57.13593	0.3
61.02914	1.8
62.50331	0.3
64.95711	0.2
67.05114	0.3
68.99791	0.9
69.03419	3.4
70.16895	0.8
70.17291	0.6
71.04984	0.5
73.02898	0.6
81.03407	1.8
81.07048	0.6
83.19656	0.3
85.02891	10.1
87.04430	0.7
91.03940	0.6
91.05470	0.4
93.03371	0.4
93.07024	0.4
95.04947	0.7
95.08615	0.3
97.02884	3.4
99.04433	0.5
107.08575	0.7
109.02859	1.6
111.00774	1.2
114.55989	0.3
115.03917	0.3
119.48207	0.3
121.02839	1.1
124.62904	0.3
127.03908	2.3
133.04977	0.3
133.10008	0.3
135.11678	0.4
137.02322	4.7
137.03381	0.5
137.05931	0.7
145.04935	1.9
145.06151	0.3
149.02344	0.7
153.01797	4.6
154.06723	0.3
163.03876	1.0
164.07085	0.5
165.01802	2.3
173.06027	0.6
177.29678	0.3
179.03391	0.3
182.15434	0.4
183.02850	1.1
183.04347	0.5
191.03438	0.4
201.05438	1.9
210.14726	0.3
229.04942	5.5
229.15431	0.3
230.13560	0.3
235.36034	0.3
247.05962	0.9
257.04413	3.1
274.04733	0.8
285.03918	1.3
285.12344	0.3
287.05478	1.0
288.05780	0.5
289.06049	1.3
303.04953	100.0
304.05316	3.5
429.34027	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1175
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
53.03938	0.5
55.01849	0.6
55.05500	2.7
57.03422	1.2
57.57023	0.4
65.03922	0.6
67.01855	0.4
67.05493	7.1
67.09710	0.4
69.03424	0.9
69.07060	2.3
69.85561	0.4
71.01353	0.5
71.70877	0.7
79.05485	5.3
81.03400	2.7
81.07039	5.6
83.04966	1.6
83.08598	1.5
85.02883	1.5
85.06536	0.8
91.05468	6.4
93.07034	4.7
94.03695	0.4
94.19110	0.4
95.04962	1.9
95.08588	2.5
95.60036	0.4
97.02910	0.5
97.06511	1.2
97.10182	1.0
98.98446	0.5
102.04661	1.3
103.05460	0.6
105.07024	4.2
107.04935	1.2
107.08582	4.3
109.06514	1.0
109.10144	2.4
110.03639	0.8
111.08087	1.0
115.05445	0.7
116.20975	0.3
117.03378	0.6
117.07007	0.9
118.04150	0.7
119.04917	1.5
119.08588	2.8
121.10088	2.1
123.04358	0.6
123.08073	0.6
123.11646	0.5
125.05959	0.6
129.07047	1.0
130.04114	2.2
131.04906	0.5
131.08557	1.3
133.06477	1.0
133.10110	2.5
135.04402	1.5
135.07999	0.5
135.11676	4.3
136.05157	1.6
137.05963	1.6
143.08598	0.8
145.10126	1.7
146.03612	3.4
147.04381	2.6
147.11670	1.5
148.05156	3.7
149.09557	0.7
149.13235	0.5
151.11084	0.6
153.01793	5.9
157.10109	2.0
159.11705	1.5
161.05957	3.2
162.06755	0.6
163.03848	0.7
163.11151	1.0
165.12788	0.6
171.11624	0.9
173.11752	0.5
173.13213	0.5
175.11183	1.2
181.12177	0.6
185.13235	0.5
192.63190	0.4
193.12221	3.0
201.05467	0.7
201.12846	0.4
201.16383	0.5
203.03357	4.5
211.13170	2.5
213.05403	1.0
229.04921	5.2
241.04924	1.1
242.05701	13.8
249.54787	0.4
253.04929	4.1
255.06554	0.6
255.15903	0.7
257.04419	53.3
258.05197	19.3
267.15771	0.6
269.04459	1.5
270.05222	2.2
271.06012	1.6
283.05899	0.9
285.03915	8.7
286.04681	33.5
287.05463	16.7
288.05780	0.7
289.06021	1.4
295.06088	0.7
297.03973	6.2
299.05453	2.1
300.06259	0.7
303.04965	0.9
310.04605	0.4
327.04947	1.8
341.06552	1.3
359.08835	0.7
373.07123	0.9
375.08646	0.7
387.08505	0.8
389.06641	0.7
391.08118	0.6
403.07993	1.5
415.08313	0.8
419.29669	0.9
432.08240	2.3
435.10657	4.2
447.10696	15.1
447.27740	0.9
465.11771	100.0
465.28854	4.4
466.12064	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	465.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03898	0.8
55.01863	6.1
55.05489	2.4
56.05024	1.1
56.96545	1.0
57.03424	3.9
59.91648	0.8
61.02912	6.0
61.85887	0.8
64.75593	0.8
69.03419	17.0
69.89518	4.6
70.06573	4.3
71.04984	33.2
72.08111	0.9
73.02893	4.5
74.58418	0.8
79.05476	1.4
81.03404	6.3
82.06540	1.4
83.01331	0.8
83.04977	2.3
85.02892	25.8
86.03238	0.9
87.04434	3.2
91.03942	1.1
91.05460	1.7
94.06548	0.8
95.04958	2.5
97.02879	13.5
97.06513	1.3
98.06041	51.8
98.97570	4.5
99.04440	27.1
100.04727	0.8
101.00872	1.2
104.10741	1.6
104.65292	0.7
107.04932	1.4
109.02831	1.8
110.06003	3.5
111.04383	1.0
112.07574	1.3
112.99091	1.1
114.05536	0.8
115.08675	2.3
116.07079	23.6
116.98593	2.0
117.05492	1.4
119.01919	6.0
121.06488	2.2
123.04401	1.4
124.07561	1.6
125.05992	0.9
127.03880	7.6
128.98619	1.4
129.05482	1.0
131.00172	0.9
131.01874	2.1
131.04912	1.7
133.03419	2.5
134.99574	0.8
135.04385	2.3
136.07530	1.8
137.02908	1.6
137.05940	1.6
138.05473	6.2
139.02452	0.9
140.07034	4.3
142.08617	3.7
143.01898	3.9
145.01613	1.1
145.03448	2.9
145.04919	3.9
146.05998	1.0
148.07538	3.7
149.01141	1.0
149.04901	0.9
149.05936	6.0
151.07507	1.0
152.07033	6.4
153.05518	1.6
154.08636	1.3
155.01915	2.8
157.03415	3.5
157.09694	2.3
158.99661	1.2
159.05096	1.1
161.02924	6.6
162.05556	1.8
162.09021	1.7
163.02640	0.9
163.03914	2.9
164.07030	1.4
166.08691	1.0
169.03333	0.9
170.08051	1.2
171.04944	1.2
173.02945	5.2
173.06737	1.1
174.02757	0.9
175.04515	2.3
176.07068	14.5
177.00670	1.7
178.08618	3.4
183.04965	1.9
185.02957	3.0
186.11218	2.0
187.02776	1.0
187.04474	1.6
188.09172	7.5
189.06038	1.8
190.08646	5.1
192.10196	1.6
194.08144	2.1
197.02945	1.9
199.04584	1.4
200.07144	1.6
200.98268	5.1
203.04028	2.6
203.13936	2.0
204.06435	1.1
205.03741	1.3
205.05544	1.2
208.09717	1.6
208.51953	1.0
211.04504	1.0
213.02438	1.0
213.60608	0.9
218.08072	10.4
218.99374	2.1
219.01669	2.0
219.07170	1.1
220.09653	2.1
221.05031	5.3
223.04666	1.1
223.06552	1.3
225.05872	0.9
231.07198	1.1
235.08443	2.0
235.10760	18.9
237.02640	2.2
238.10741	5.1
241.07542	1.6
242.99599	1.4
245.05176	5.9
247.04761	1.1
250.10677	10.2
257.14932	1.8
259.06653	3.5
263.06189	4.4
268.11688	1.1
272.06494	1.6
273.08163	1.8
275.06180	1.7
276.06036	0.8
284.99826	1.5
285.07767	1.1
285.14413	4.6
286.07883	1.4
286.12701	2.1
289.07852	1.2
291.09241	1.5
295.08969	0.8
303.01688	1.6
303.15479	100.0
304.15750	2.6
305.07089	1.1
307.08942	1.9
319.08957	1.7
321.10040	1.3
337.10156	1.2
365.08841	1.0
367.10837	4.3
405.11322	1.1
429.18396	1.5
437.43088	0.9
439.60776	0.8
447.19617	1.3
465.08151	2.8
465.13809	7.8
465.20706	75.1
466.14487	0.9
466.21030	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.2
53.03929	1.0
54.03473	0.2
55.01861	6.5
55.05499	1.9
56.05028	1.6
56.96545	0.8
57.03422	2.9
59.04978	0.5
60.04513	0.5
61.02913	3.7
63.73128	0.2
65.03925	0.4
65.79721	0.2
67.05483	0.7
68.05007	0.5
69.03416	12.1
69.74973	1.1
70.06579	3.5
71.01339	0.2
71.04977	33.2
72.04503	0.6
72.05293	0.2
73.02905	2.4
79.05479	0.7
80.04995	0.6
81.03405	5.5
81.07040	0.3
82.06568	1.3
82.99810	0.2
83.01341	0.4
83.04948	0.9
84.04488	0.9
84.08148	0.2
84.45992	0.2
85.02889	15.1
85.06529	0.3
86.03226	0.4
86.06047	1.8
87.04452	2.9
88.07618	1.0
91.03938	1.1
91.05450	0.5
92.05003	1.1
93.03387	0.4
93.07034	0.4
94.06546	0.8
95.04959	1.3
96.04505	0.9
96.08109	0.2
97.02871	8.8
97.06499	0.7
98.06033	54.6
98.21458	0.2
98.97561	1.3
99.04435	29.8
100.04748	0.2
100.07565	0.2
101.00861	0.7
101.02359	0.5
101.06023	0.2
102.96848	0.2
103.03967	0.2
103.05398	0.2
104.07075	0.2
105.06893	0.2
106.02827	0.2
106.06539	0.5
107.04878	0.3
108.04438	0.3
108.08115	0.7
109.02853	2.2
109.05212	0.4
109.06484	1.1
110.06020	3.7
110.97546	0.2
111.04411	0.9
111.06814	0.7
112.03915	0.2
112.07593	1.7
112.99122	0.2
113.00883	0.2
114.05516	1.0
115.02407	0.4
115.03972	0.3
115.08652	1.8
116.07069	24.7
116.98611	0.9
117.05464	1.2
117.06944	0.2
118.06519	0.7
119.00166	0.2
119.01892	2.5
119.04921	0.3
120.02003	0.2
120.04386	0.3
120.08067	0.6
121.01666	0.4
121.02828	0.5
121.06454	0.3
122.06004	0.4
123.04399	0.7
123.06734	0.3
124.03920	0.3
124.07557	1.8
125.04652	0.5
125.05968	1.3
126.05526	0.8
126.09143	0.6
127.02412	0.3
127.03888	2.9
128.04155	0.2
128.07048	0.4
128.98619	0.4
129.03935	0.4
130.06487	0.5
130.08635	0.3
131.00156	0.6
131.01862	1.2
131.04884	0.5
132.08092	0.7
133.03439	1.8
133.05078	0.2
133.09706	0.2
134.06001	0.7
134.99619	0.5
135.04344	1.6
136.03903	0.3
136.07532	0.9
137.02908	0.2
137.04697	0.6
137.05930	0.5
138.05478	5.6
139.02452	0.2
139.03894	0.5
139.06177	0.3
140.07033	4.7
140.08127	0.3
142.08606	4.3
143.01883	1.9
144.01959	0.2
144.08041	0.8
145.01624	0.4
145.03430	1.5
145.04932	1.1
145.06355	0.4
146.06033	1.0
146.09642	0.2
146.99657	0.3
147.05002	0.5
147.06741	0.4
148.03867	0.2
148.07538	4.3
149.01157	0.4
149.02835	0.2
149.08099	0.2
150.05496	1.0
150.09114	0.5
151.04543	0.3
151.95630	0.2
152.05803	0.3
152.07031	5.5
153.05418	0.8
154.08580	1.4
155.01868	1.3
155.05699	0.3
156.02673	0.2
156.06569	0.5
157.01703	0.3
157.03439	1.8
157.09718	2.3
158.05992	0.6
158.08078	0.5
158.99617	0.6
159.05042	0.4
159.06667	0.2
160.07567	0.7
160.33932	0.2
161.01503	0.3
161.02933	3.0
161.05855	0.2
162.03146	0.3
162.05414	1.2
162.09105	1.7
163.02696	0.7
163.04497	0.3
163.06258	0.9
164.06973	1.4
164.08087	0.1
165.05450	0.3
166.08620	1.8
167.01830	0.2
168.10204	0.5
169.03421	0.7
169.07277	0.2
170.08080	2.1
170.99649	0.3
171.05019	1.1
171.06250	0.2
171.11217	0.2
172.07507	1.1
173.01379	0.3
173.02925	2.0
173.06799	0.2
174.03127	0.2
174.05544	0.3
174.07605	0.4
174.08977	0.2
175.02705	0.6
175.04527	1.1
175.06270	0.4
176.07034	16.4
177.00726	0.4
177.04184	0.4
177.06075	0.2
177.07744	0.9
178.04947	1.0
178.08595	4.2
180.06560	0.4
180.10136	1.0
181.03453	0.3
181.04976	0.3
182.03250	0.2
182.08081	0.3
183.05107	0.3
183.06607	0.3
184.04762	0.2
184.09676	0.2
185.01361	0.3
185.02943	1.0
185.06575	0.4
185.12773	0.3
186.11244	1.4
187.02895	0.3
187.04500	1.1
187.08369	0.2
188.09143	9.0
189.04266	0.2
189.06064	0.7
189.07780	0.4
190.08603	5.9
191.03918	0.3
191.08963	0.3
192.06535	0.5
192.08344	0.2
192.10138	2.0
193.03552	0.5
193.05450	0.2
194.08075	2.1
197.02948	0.4
198.04512	0.2
199.04543	0.8
199.06181	0.2
200.07008	1.6
201.00722	0.3
201.06105	0.9
201.07744	0.3
202.06197	0.2
202.08551	0.4
203.03920	1.4
203.13884	2.2
204.06537	1.6
204.10287	0.3
205.03770	0.5
205.05511	0.4
205.07239	0.3
206.08081	1.3
207.05223	0.2
207.08806	0.2
207.11249	0.2
208.09683	2.1
210.11197	0.9
211.04529	0.8
212.09158	0.7
214.10721	0.2
217.07489	0.2
217.09711	0.5
218.08083	12.3
219.01715	0.8
219.03598	0.2
219.06921	0.3
219.08727	0.5
220.09654	1.7
221.03014	0.3
221.05038	3.2
221.09560	0.3
222.05371	0.3
222.07605	0.3
222.11221	0.4
223.04579	0.4
224.09084	0.2
225.06058	0.3
225.12363	0.6
226.10678	0.3
229.05476	0.3
229.11789	0.6
231.07190	0.5
232.09731	0.8
234.11034	0.2
235.08429	1.9
235.10704	23.8
236.09119	1.8
236.11151	0.4
237.02689	0.9
237.07770	0.3
238.10704	5.1
240.12201	0.3
241.05545	0.4
245.05019	3.3
246.05243	0.3
247.06654	0.3
249.12271	0.6
250.10698	13.3
251.11067	0.3
252.12303	0.4
253.11899	0.5
254.10057	0.3
255.13498	0.2
256.07104	0.3
257.04956	0.6
257.14929	1.7
258.05096	0.2
259.06647	4.0
260.06839	0.2
263.05975	1.0
267.13309	1.4
268.11752	1.6
272.06384	0.2
275.06369	0.2
277.07544	0.8
278.12286	0.7
280.07935	0.3
281.05139	0.2
283.06512	0.4
285.06458	0.2
285.14401	5.0
286.08002	1.8
286.12689	1.7
286.58337	0.4
289.07471	0.8
291.09152	0.7
301.07651	0.4
303.15439	100.0
304.16031	1.8
305.07123	0.3
305.10733	0.5
307.08633	0.5
308.09097	0.2
309.10196	0.3
316.08920	0.5
317.09756	1.7
317.60059	0.4
318.10703	0.9
319.08722	1.7
321.10309	1.1
322.10278	0.3
337.09570	0.5
351.11191	0.7
355.09103	0.2
365.19070	0.4
393.12213	0.3
405.09491	0.2
419.20316	0.3
429.18646	1.2
447.10559	0.2
447.20084	1.6
465.20724	70.6
466.21158	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.6
55.05500	11.3
57.03416	10.5
59.76430	5.6
67.05471	26.8
69.03407	28.0
69.07050	6.5
70.06571	11.0
71.70641	5.6
71.71008	6.4
79.05495	30.2
81.03398	33.6
81.07050	23.4
85.02874	27.7
86.09670	13.0
91.05460	38.3
93.07027	94.7
94.34235	6.7
95.04940	17.3
95.08584	23.9
97.02857	13.7
97.10149	7.0
97.83813	7.5
97.86517	5.7
99.04388	7.2
103.05468	8.3
104.10686	15.4
105.07031	27.3
107.04945	9.6
107.08615	14.7
109.02850	17.1
109.06484	9.7
109.10122	33.9
115.05446	8.6
117.06990	9.5
119.04937	15.4
119.08545	13.5
121.06491	56.4
121.10131	53.9
123.04401	13.2
123.08039	12.4
127.03915	16.7
128.06198	12.9
129.06978	12.7
131.04929	9.5
131.08551	11.8
133.06499	13.2
134.58035	6.4
135.08028	9.4
137.05945	72.0
137.09610	15.6
143.04781	6.3
143.08548	24.1
145.06459	7.3
147.04321	13.9
147.08049	7.9
149.05951	85.1
149.09564	17.4
151.07523	29.6
157.10118	10.0
159.08018	10.2
161.05966	23.2
163.07527	21.8
164.38457	5.9
165.05507	35.7
167.07036	91.8
167.08382	11.2
167.10637	8.1
171.07965	15.2
173.05943	11.7
175.07542	15.0
183.07964	8.0
184.07361	14.7
187.07513	14.0
189.09064	89.2
191.07063	10.9
191.10582	13.5
194.58383	6.0
195.07961	8.3
201.09061	16.6
203.07010	8.3
203.10641	8.9
205.08553	20.3
207.10156	53.0
211.11107	6.7
229.08600	26.8
229.12228	27.8
239.14366	11.1
257.12729	19.0
257.15335	37.1
267.13800	15.3
275.16354	41.3
285.08685	9.0
285.12039	12.2
285.14828	100.0
289.05939	18.9
303.04926	28.2
303.15793	51.9
429.18845	9.2
447.19794	24.2
465.20813	8.9
482.68491	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	465.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52973	3.7
53.03930	13.6
54.45963	4.4
55.01843	8.8
55.05504	21.6
57.03427	6.6
60.08133	8.9
61.02918	6.1
62.93583	4.3
67.05486	36.8
69.03429	35.3
69.07043	19.0
70.06573	8.4
70.55699	14.5
71.04966	11.4
71.23090	3.8
72.08129	5.4
77.03905	6.5
79.05473	47.1
81.03411	39.7
81.07027	45.9
83.04949	11.9
85.02888	49.4
86.09688	39.6
87.04456	4.8
91.05466	56.8
93.07023	94.9
95.04942	33.5
95.08586	47.5
97.02873	21.0
97.06519	8.7
99.04453	9.1
102.28478	4.8
103.05438	7.4
104.10725	55.9
105.06991	41.0
107.04945	13.6
107.08589	45.9
109.02836	24.1
109.06503	22.3
109.10119	45.1
111.08075	6.8
115.05408	11.6
117.06980	16.5
119.04890	19.5
119.08555	42.1
120.08045	10.0
121.06477	56.0
121.10116	55.0
122.06081	4.5
123.04402	18.6
123.08023	17.3
123.11647	6.1
124.99982	20.5
125.09574	7.6
127.03916	21.7
127.05785	5.4
128.06166	8.6
129.06963	13.8
131.04897	9.7
131.08530	20.2
133.06476	16.2
133.10075	21.1
135.04375	5.4
135.08080	6.7
135.11664	7.8
136.07553	20.5
137.05948	74.6
137.09560	16.1
138.09071	5.8
141.07004	6.6
142.07712	7.9
143.04877	8.6
143.08543	27.1
145.02776	5.3
145.06413	11.9
145.10118	29.0
147.04387	34.3
147.08049	9.5
147.11690	15.7
149.05945	66.2
149.09595	19.4
149.13274	5.5
151.03789	5.6
151.07489	20.2
153.01761	9.5
155.08501	9.2
156.09271	6.4
157.06462	10.8
157.10126	17.0
159.08040	10.0
159.11644	23.2
161.05934	18.2
161.09572	8.3
161.13278	9.3
162.06718	4.1
163.03883	7.7
163.07504	18.0
163.11160	6.5
164.06998	24.7
165.05525	24.6
165.07137	6.4
166.04961	5.7
167.07040	88.4
167.08426	7.9
169.10104	4.7
171.08000	13.9
171.11668	10.8
173.05923	8.0
173.09598	7.2
173.13196	12.9
175.07513	12.1
175.11116	8.6
175.14783	6.3
177.05424	6.6
177.09024	4.4
177.12750	6.0
179.07022	6.8
181.06482	5.9
181.10205	5.5
182.08058	4.6
183.08009	13.8
183.11659	8.7
184.07326	53.5
185.05835	5.7
185.09660	5.9
185.13220	10.6
187.07477	17.4
187.11038	5.0
187.14787	7.5
189.09052	88.9
189.12750	5.6
191.06998	9.5
193.10086	8.9
195.08035	7.4
195.11693	6.1
197.06018	7.7
197.09602	6.0
199.07436	6.1
199.14781	12.5
201.05379	8.5
201.09084	14.3
201.12837	4.4
203.10735	10.0
205.08600	15.5
207.10106	25.8
211.07562	5.8
211.14761	8.1
213.05338	5.5
215.06773	4.8
215.14264	6.6
217.04871	6.1
219.10187	6.0
223.11246	4.5
227.10464	6.6
229.05066	6.3
229.08490	25.4
229.12186	20.2
233.07977	5.5
234.82762	4.4
239.14255	8.4
245.08031	5.9
257.04361	12.3
257.08054	6.1
257.12662	11.0
257.15314	27.2
263.08969	5.7
267.13751	12.0
275.16479	27.5
285.07565	6.5
285.12158	13.5
285.14841	72.7
287.05411	19.9
288.05725	17.0
289.06079	34.0
301.10733	5.2
303.01453	6.5
303.04889	100.0
303.07870	8.6
303.12164	14.9
303.15836	35.2
304.05048	5.8
419.29175	8.5
447.10275	6.1
447.19888	20.0
447.29187	6.1
448.21304	5.4
465.16800	21.2
465.29642	15.7
466.21912	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	465.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.4
55.01872	3.7
55.05501	10.5
57.03434	7.6
65.03912	4.4
67.05501	33.0
69.03417	30.1
69.07050	10.3
71.05254	5.1
75.04459	3.7
79.05479	29.1
81.03402	37.6
81.07040	43.6
83.04961	6.1
83.08596	4.2
85.02893	20.0
91.05469	44.8
93.07028	100.0
95.04955	19.8
95.08591	37.4
97.02872	12.5
97.06520	7.8
99.04463	5.1
103.05450	13.1
105.07009	30.5
107.04935	8.5
107.08574	28.2
109.02872	9.0
109.06503	12.2
109.10136	37.4
111.04436	4.1
111.08064	4.1
115.05440	9.1
117.06996	13.0
119.04911	14.1
119.08535	22.5
120.08073	4.6
121.05658	3.1
121.06475	47.6
121.10127	56.9
123.04408	15.9
123.08049	11.9
123.11689	3.8
127.03894	11.5
128.06207	10.0
129.06955	9.3
131.04921	9.1
131.08542	15.1
133.06471	8.4
133.10095	14.0
135.08028	7.1
135.11639	6.1
136.07526	4.9
137.05957	73.5
137.09650	16.3
139.93918	2.8
141.06961	6.6
142.07736	7.3
143.04878	3.7
143.08524	24.1
145.06445	11.2
145.10112	17.1
147.04384	11.9
147.07993	5.8
147.11659	10.4
149.05959	92.1
149.09590	19.7
149.13313	4.9
151.07538	23.7
153.07004	4.1
155.08542	7.8
157.06520	6.3
157.10118	10.1
159.08058	10.9
159.11658	6.5
161.05959	18.8
161.09579	5.4
161.13231	4.6
162.57892	3.2
163.03871	6.8
163.07501	17.4
164.07027	4.9
165.05455	31.6
165.06879	7.1
167.07018	85.5
167.10686	5.6
169.10117	8.8
170.10963	3.9
171.08044	11.4
173.05965	14.0
173.13281	6.1
174.06764	6.1
175.07475	15.5
175.11186	3.6
175.14839	6.5
177.05423	7.8
177.09094	5.1
179.06981	5.8
181.10062	5.4
183.08044	10.2
183.11674	5.8
185.09515	5.4
185.13142	4.8
187.07439	17.3
187.14822	7.6
188.08200	3.3
189.05518	5.2
189.09071	91.9
191.07031	13.2
191.10677	5.4
195.11684	3.9
197.09564	4.0
197.13066	4.1
199.07536	3.6
201.09109	18.3
201.16385	7.8
203.07048	6.5
203.10617	7.1
205.08609	11.5
207.10135	50.0
210.10535	4.2
211.07559	4.9
211.11171	4.3
211.14738	4.4
215.07062	5.2
215.10701	5.5
217.15753	5.0
219.09988	3.2
223.07524	3.2
227.10625	4.1
229.08543	34.0
229.12048	23.7
233.08043	4.5
239.07060	6.4
239.14240	11.9
241.00047	4.1
245.00896	3.4
245.07957	7.1
245.11746	3.9
247.13226	7.1
257.08102	8.2
257.12857	6.2
257.15292	35.7
267.13724	11.9
270.12665	4.9
275.16409	37.2
285.11728	4.8
285.14828	93.0
287.05368	5.2
288.05576	4.1
289.06039	8.9
303.04962	19.4
303.08069	4.2
303.12897	4.9
303.15930	51.4
327.16055	3.7
393.16989	3.7
411.18036	8.1
419.29355	6.8
429.18875	7.1
447.10361	5.1
447.19992	19.3
465.11676	4.5
465.30298	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	465.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	11.0
55.05506	21.1
57.03429	10.5
57.07067	12.9
59.38906	1.5
67.05504	13.1
69.07049	27.6
69.69113	11.5
71.08624	6.6
73.02898	7.2
79.05463	7.3
81.07040	11.9
83.08607	23.0
85.10182	2.0
93.07033	7.9
95.08604	8.5
97.06543	3.4
97.10159	14.3
98.98452	48.5
100.90767	1.3
107.08563	3.5
108.57496	1.4
109.10121	6.7
111.08036	1.6
111.11710	2.9
121.10138	8.0
123.11678	2.2
129.05476	3.7
133.10115	1.7
135.11674	5.0
136.99966	3.2
149.13113	1.3
155.01019	45.8
155.02306	3.2
211.03566	1.4
219.21011	1.8
224.88043	1.4
229.04723	3.6
237.22064	10.9
249.85773	1.6
274.95938	1.3
286.28220	1.5
311.25754	100.0
312.26181	2.9
337.85425	1.6
425.31818	1.5
438.55310	1.3
447.24933	17.9
465.34650	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	11.0
55.05271	1.5
55.05505	18.1
57.03435	9.7
57.07063	8.2
60.21249	1.1
62.75304	1.0
67.05505	8.0
69.06692	1.4
69.07057	23.4
69.24046	1.5
71.08604	4.8
73.02900	7.1
79.05464	4.8
81.07043	8.7
83.08615	18.5
83.09089	2.2
93.07032	4.1
95.08595	7.1
96.90020	1.1
97.06522	3.2
97.10161	11.3
98.98454	44.6
107.08575	4.1
109.10145	2.6
109.63590	1.2
111.08029	1.6
111.11718	2.2
115.83311	1.1
116.99486	1.8
118.28514	1.1
121.10121	6.1
123.11687	1.5
129.05437	3.6
130.92419	1.5
135.11656	3.4
136.99969	3.5
144.76071	1.2
149.13222	1.6
155.01022	37.5
155.02299	2.3
211.03624	1.4
219.20978	2.3
229.04654	2.7
237.22137	9.1
255.23235	1.8
261.98663	1.2
309.30542	1.1
311.25775	100.0
312.26062	3.7
354.76660	1.2
447.25052	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	465.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41111	1.8
53.03938	10.7
55.01865	5.9
55.05503	41.4
57.03200	2.0
57.03433	23.9
65.03921	6.1
67.05496	100.0
67.25939	1.8
69.03415	5.6
69.07061	20.1
71.01334	7.7
71.05000	14.2
79.05482	97.6
80.05829	2.3
81.03406	77.1
81.03881	3.9
81.07042	68.6
83.04972	31.3
83.08608	29.8
85.02894	35.6
85.06526	7.4
91.05464	83.2
93.07031	85.3
95.04958	56.2
95.05579	2.3
95.08591	24.2
97.02868	3.3
97.06507	18.9
97.10155	20.7
99.04434	2.3
99.08074	5.7
100.88509	2.2
105.04531	2.3
105.07015	42.5
107.04930	12.9
107.08575	52.0
109.06479	9.6
109.10158	11.9
111.04409	3.8
111.08073	20.1
113.06062	3.5
115.05464	2.5
117.06989	11.7
119.08565	35.0
121.06502	6.2
121.10121	21.2
123.08125	2.5
123.11673	2.9
125.05953	2.2
125.09623	6.4
129.06961	12.7
131.08548	16.1
133.06482	3.2
133.10097	19.4
135.08066	2.8
135.11673	68.4
137.09607	5.3
142.07739	3.9
143.08562	2.2
143.23608	1.9
145.10112	20.9
147.08025	5.6
147.11667	20.5
149.09625	7.6
153.12675	3.8
157.10106	18.0
159.11723	2.9
163.11165	13.0
165.12711	4.5
169.10081	1.9
171.11810	2.1
175.11180	20.6
177.12550	2.0
181.12202	12.3
187.11125	3.8
193.12218	71.3
193.14003	3.4
199.13312	2.5
211.11214	4.2
211.13252	83.8
212.13681	2.0
249.14760	3.0
255.15889	10.6
267.15909	7.9
329.21109	6.7
331.23367	2.1
347.22211	2.9
355.22531	4.3
373.23740	7.4
419.29517	2.1
421.25662	3.3
447.27502	12.0
465.28452	87.3
466.28845	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2993
Annotation	Macrophyllidimer B
Peak:m/z	Relative Intensity
51.02375	2.2
53.03925	2.8
55.01834	2.9
55.05503	13.8
57.03416	3.7
57.07066	2.5
65.03918	2.4
67.05492	21.0
69.03410	5.8
69.07050	16.6
71.04973	2.7
71.70425	3.4
73.65285	2.2
79.05479	25.3
79.74956	2.4
81.03397	4.9
81.06593	3.7
81.07040	34.9
83.04964	4.7
83.08607	7.3
85.02871	5.0
85.06526	4.2
91.05456	28.7
93.06498	4.0
93.07030	43.0
95.04951	10.9
95.08586	47.3
97.02872	5.1
97.06523	5.3
99.08098	11.8
105.07008	66.0
107.08575	51.3
109.02876	3.4
109.06501	9.0
109.10149	20.5
111.04404	2.6
111.08070	4.7
115.05394	3.2
117.06958	11.0
119.08563	100.0
121.02853	2.8
121.06482	7.2
121.10131	34.1
123.08049	6.7
123.11672	8.3
125.09592	4.5
127.03898	3.6
127.07503	3.0
128.06190	7.0
129.06981	8.6
130.07770	5.1
131.08543	57.5
133.09158	4.1
133.10112	48.9
135.08070	7.1
135.11627	16.5
137.05956	3.7
141.06984	4.0
142.07745	11.1
143.08531	27.7
144.09283	3.6
145.06451	3.6
145.10098	72.5
147.04384	4.9
147.08006	6.2
147.11667	34.3
149.05949	4.3
149.09590	6.2
149.13251	8.7
151.07454	3.3
153.09123	2.5
155.08517	10.3
156.09317	14.0
157.10104	50.8
158.10861	7.9
159.08064	5.8
159.11668	53.7
161.09599	6.7
161.13261	20.2
163.07468	5.0
163.11191	4.8
163.14862	6.0
165.07057	2.4
167.08455	2.9
168.09244	3.1
169.10124	22.5
170.10864	9.1
171.08078	4.0
171.11635	33.6
172.12445	3.9
173.09595	5.7
173.13229	66.8
174.13594	2.3
175.07542	3.5
175.11154	6.0
175.14798	31.0
177.05319	2.6
177.09044	2.9
177.16301	3.3
177.65106	2.2
179.08495	2.9
180.09183	2.4
181.10011	5.4
182.10846	6.3
183.11668	17.3
184.12418	4.1
185.09605	28.7
185.13231	32.8
186.14003	3.4
187.11154	9.9
187.14789	41.9
189.09097	3.4
189.12752	3.4
189.16328	7.6
191.14313	6.8
195.11646	11.2
196.12396	3.7
197.09633	2.7
197.13297	16.4
199.11142	8.6
199.14796	47.0
200.11963	7.4
201.12758	16.8
201.16354	34.9
203.10686	2.6
203.14244	6.5
205.15663	4.7
207.11655	4.6
209.13231	8.8
211.14754	11.3
213.12686	7.1
213.16338	14.6
215.14259	12.1
215.17966	3.1
217.12238	7.0
217.15892	6.1
219.13727	7.6
221.13281	3.6
221.15237	2.9
223.14975	4.6
223.16931	2.3
224.15572	2.2
225.16324	8.6
227.14326	5.2
227.17929	8.4
229.19492	2.5
231.13786	7.7
233.15262	5.1
235.14722	3.7
237.16226	5.9
239.17924	4.8
241.15996	2.5
243.13766	3.8
243.17448	2.4
245.15346	14.6
247.16884	6.1
249.16360	4.7
251.17848	5.1
253.19606	3.0
255.17363	3.2
259.16837	4.3
263.17978	3.4
273.18610	3.0
279.21002	3.6
285.07452	2.6
289.05856	2.3
303.04956	7.8
303.11917	2.6
307.24139	8.0
311.28696	2.3
319.24048	3.2
347.23624	5.4
353.24808	6.1
373.28738	8.2
391.29916	6.3
401.28305	9.4
419.29358	66.2
420.29773	3.1
421.30865	6.3
437.30624	17.0
447.28833	15.4
464.83234	4.2
465.17465	3.8
465.29910	57.1
466.30090	5.0
483.31146	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	465.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.05510	4.6
57.03421	1.2
60.85172	1.0
67.05500	10.7
69.07040	3.9
69.07407	1.1
71.71254	1.1
71.71653	1.3
77.37105	0.9
78.36411	0.8
79.05479	8.6
80.68050	1.0
81.03368	1.0
81.07044	10.5
83.04957	1.6
83.08598	2.3
85.06552	0.9
91.05466	7.1
93.07027	10.3
95.04940	4.0
95.08589	11.1
96.08923	0.9
96.39433	0.9
97.10139	1.9
105.07035	8.4
107.04928	1.3
107.08585	13.3
109.06493	1.6
109.10150	12.8
117.06977	2.4
119.08558	6.2
121.06545	1.0
121.10110	4.9
121.39391	0.9
123.11661	1.5
125.09631	1.4
129.06956	2.2
131.08542	3.3
133.06500	0.9
133.10110	4.6
135.08018	9.5
135.11670	2.6
137.09593	3.7
141.06987	2.8
143.08542	3.7
145.06439	1.2
145.10077	4.5
147.08081	1.1
147.11642	2.5
149.09612	1.5
149.27275	0.9
155.08511	3.5
157.10097	3.4
159.07983	1.6
159.11674	2.5
161.09576	2.4
161.13214	1.6
167.08514	1.8
169.10135	2.6
171.07970	1.0
171.11670	1.2
173.09567	2.7
173.13196	2.1
175.11122	2.3
175.14761	1.3
177.12685	4.3
179.08531	2.3
181.10141	2.7
183.08107	1.2
183.11620	1.7
185.09612	1.3
185.13229	1.1
187.11166	1.3
193.10129	2.8
193.12054	1.3
195.11630	2.7
197.09703	1.2
199.11224	1.5
199.52794	0.8
207.11656	2.4
209.09669	1.1
209.13156	2.0
211.14755	2.3
213.16306	1.0
215.14366	1.2
219.11659	1.8
221.13217	2.1
223.11249	1.3
223.14813	2.5
225.16388	1.1
227.14278	2.8
229.15877	3.9
231.11601	1.3
233.13252	1.6
235.11052	1.0
235.14743	1.3
237.07687	1.2
237.12753	1.0
237.16185	1.1
241.15868	2.9
245.13599	1.0
247.11118	1.7
247.14844	1.9
249.12729	1.6
249.16348	2.1
251.17982	1.6
256.26233	1.0
259.11142	0.9
259.14600	1.4
259.17050	1.0
261.12692	1.3
261.16293	2.8
263.17874	2.8
265.16046	1.1
267.17401	1.7
271.42975	1.0
273.16238	1.3
275.17999	1.4
277.15842	1.8
278.16980	1.1
279.17371	2.9
281.18988	2.2
283.20447	1.2
287.14316	1.4
287.17859	2.6
289.06055	1.8
289.15851	1.4
289.19360	1.6
291.17477	1.9
293.18912	2.8
299.14471	1.3
299.17950	3.0
301.19431	2.2
303.04993	2.1
303.17374	2.5
304.18109	1.0
305.18924	2.6
313.19482	2.6
315.17459	1.7
317.19025	4.4
318.19733	1.2
319.20496	1.3
325.19357	1.1
329.18991	3.8
331.20511	2.6
341.22629	1.1
343.20615	4.5
343.24042	1.3
344.21274	1.0
345.22330	1.1
357.22159	2.2
359.27469	2.1
361.21634	1.9
369.25867	8.9
371.23471	2.3
371.27451	1.8
375.23019	1.9
381.25726	3.1
384.24237	1.9
387.26794	38.5
388.27106	2.2
399.26791	29.7
400.26981	1.3
405.27487	3.6
417.27859	22.4
418.28088	1.4
419.29535	1.2
435.28915	100.0
436.29297	4.3
447.28693	1.6
462.75549	1.2
465.19284	1.7
465.29950	18.4
466.30988	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	465.2993
Annotation	Macrophyllidimer B
Peak:m/z	Relative Intensity
53.03933	4.5
55.01867	3.0
55.05502	16.7
57.03425	2.7
57.07058	5.7
65.03890	2.7
67.05492	31.3
69.03432	4.2
69.07058	17.7
71.07364	2.8
71.70278	3.3
79.05473	23.1
81.03397	3.5
81.06601	3.7
81.07041	43.3
83.04951	3.7
83.08595	9.0
85.02874	4.4
85.06518	7.1
86.09689	12.9
87.10026	2.8
91.05457	38.0
93.07030	44.1
95.04945	7.7
95.08589	59.7
97.06533	7.0
97.10108	3.3
99.08075	14.1
104.10727	26.4
105.07014	80.9
105.11052	5.8
106.07257	2.8
107.08575	74.8
109.06486	6.9
109.10124	30.6
111.04430	3.4
111.08070	4.7
115.05408	3.1
117.06995	6.5
119.08560	100.0
121.06482	5.0
121.10125	38.6
123.08011	5.8
123.11710	9.2
124.99969	7.9
125.05956	6.1
125.09620	3.3
128.06168	4.9
129.06992	9.7
130.07721	7.0
131.08551	54.3
133.10109	51.2
135.04404	2.8
135.08008	6.4
135.11652	19.6
137.05974	4.8
137.13216	3.6
139.07495	2.2
141.06950	3.1
142.07745	13.4
143.08537	28.3
144.09381	4.0
145.06432	4.6
145.10101	85.0
145.11227	5.5
146.10600	2.4
147.07971	5.2
147.10562	4.5
147.11647	36.6
149.09636	5.7
149.13237	13.6
150.43440	2.5
151.07504	4.3
153.05418	3.4
153.09056	4.5
154.07721	2.8
155.08542	12.5
156.09309	10.3
157.10110	49.1
158.10841	7.5
159.08078	5.1
159.11667	46.5
161.09596	6.8
161.13239	20.7
163.07495	4.3
163.11145	5.2
163.14871	5.9
169.10097	23.4
170.10918	6.3
171.08009	3.4
171.11661	41.6
172.12404	7.6
173.09590	6.5
173.13231	71.5
175.07584	3.1
175.11140	8.4
175.14775	32.7
177.12796	2.7
177.16400	3.9
181.10081	5.6
182.10988	2.8
183.11662	23.7
184.07300	25.7
184.08701	3.3
185.07703	9.0
185.09607	38.8
185.13226	34.1
186.13927	2.6
187.11208	16.1
187.14769	51.5
189.09077	3.4
189.12756	5.3
189.16380	8.1
191.14310	3.9
193.10103	3.2
195.11673	7.2
197.13237	17.2
199.11121	13.5
199.14786	42.6
200.11963	12.4
201.12709	14.9
201.16365	39.8
203.14297	7.5
203.17911	9.2
205.12227	4.4
205.15741	3.7
209.13260	10.2
211.14771	16.9
213.12759	9.7
213.16393	14.3
215.14351	7.3
215.18002	2.7
217.12254	9.3
217.15865	3.3
219.13751	13.1
221.13313	4.2
221.15324	4.0
223.14806	6.7
225.12723	2.6
225.16400	5.7
227.14293	9.7
227.17953	8.2
229.15762	5.9
229.19321	3.1
231.13745	6.6
233.15331	4.4
237.12651	3.3
237.16420	6.8
239.17892	4.9
241.15880	2.8
241.19641	3.8
243.13800	5.6
245.15352	12.4
247.14745	2.9
247.16978	5.9
251.17957	7.6
253.19501	4.3
255.17587	4.4
257.12976	3.8
259.16888	4.4
263.18054	3.6
265.19592	3.9
271.16794	3.5
273.18530	2.8
277.19534	2.9
289.05984	4.6
299.63028	2.6
307.24207	7.9
319.24188	3.3
325.21573	2.9
347.23566	10.1
353.24686	8.7
373.28790	9.0
391.30032	7.9
401.28381	12.7
411.28674	3.8
419.29388	76.3
420.29956	5.5
421.31195	6.2
429.29657	4.3
437.30533	21.6
447.28696	12.2
465.24500	6.5
465.29947	80.5
466.30499	4.7
483.30884	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
57.03042	0.6
57.03410	1.0
59.06462	0.5
61.02918	1.0
68.05019	1.4
69.00030	0.5
69.03418	3.9
70.06565	1.5
71.04974	2.1
72.08131	0.7
73.02887	0.6
81.03394	1.6
81.07042	0.6
84.04478	0.9
85.02892	6.6
86.09701	0.5
87.04462	0.5
91.05476	1.1
95.08590	0.5
97.02882	2.6
97.06486	0.5
99.04435	1.7
107.08574	0.7
109.02869	1.1
109.10143	0.8
110.05946	0.7
119.04923	0.6
119.08546	0.7
121.10094	0.5
123.08059	0.8
127.03899	1.8
135.11617	0.6
136.07555	1.1
137.09587	0.7
140.07037	1.4
145.04918	0.7
147.04381	2.7
163.11148	0.5
164.06998	1.2
165.09082	0.5
173.07159	0.7
184.07376	1.7
195.09213	0.5
199.11102	0.7
201.10130	0.5
213.10231	2.6
226.09706	5.9
227.10510	24.5
228.11284	7.9
240.11287	29.4
241.11522	1.2
242.09341	0.8
256.10788	85.1
256.46329	0.6
257.11176	2.9
268.10785	26.6
269.11053	1.1
286.11841	64.2
287.12048	2.4
304.12888	100.0
305.13223	3.1
420.07687	0.6
466.13409	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06078	3.3
54.26902	3.3
54.79510	3.3
55.01872	4.8
57.03431	21.5
60.04527	5.2
63.03112	3.1
63.68578	3.0
69.03425	76.9
70.17467	3.8
70.17764	18.1
71.01336	4.3
76.87281	2.8
81.03382	6.6
81.07043	4.8
83.04981	4.5
84.04479	3.9
85.02889	60.5
86.06036	4.0
86.19436	3.4
87.04453	55.5
91.05460	18.9
97.02873	64.8
98.21439	4.3
99.66322	3.1
105.07023	7.7
109.02863	9.0
115.03918	70.6
119.04940	10.3
119.08535	4.6
120.08064	4.1
121.06551	3.7
123.04406	10.9
126.05535	3.5
127.03917	10.7
127.41719	3.9
130.04930	3.3
131.04958	4.0
131.08571	5.1
133.04950	71.1
133.05994	5.0
133.06392	5.1
137.05962	100.0
145.04965	8.2
148.48701	3.2
149.06055	4.6
151.07518	20.5
155.07022	13.1
161.05930	9.8
165.05453	50.2
175.07529	4.1
177.05505	4.0
179.07014	44.9
184.25397	3.9
186.08751	3.7
191.07050	7.0
197.08054	6.7
201.24962	3.2
203.06937	5.5
205.08562	8.6
206.65399	3.4
212.84149	3.3
215.07141	3.8
221.08090	14.3
224.56641	3.8
233.08070	27.8
251.09024	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	466.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.5
55.05484	2.1
56.05021	1.1
57.03415	1.0
58.06568	1.0
60.08155	18.1
67.05482	2.2
67.49002	0.5
69.03412	1.5
69.07047	0.9
70.06580	0.7
71.04974	1.1
71.07365	7.1
71.70178	0.7
72.08128	0.6
78.06623	0.5
79.05476	2.3
81.03397	2.1
81.07037	2.4
83.01313	0.8
83.04929	1.2
83.08611	1.1
85.02882	2.2
86.09692	48.2
87.10001	0.7
91.05435	2.4
93.07040	3.8
95.04948	1.1
95.08582	2.1
97.02891	0.9
97.06456	0.5
98.98449	3.9
99.04439	1.0
104.10725	100.0
105.07024	2.9
105.11062	1.4
107.04917	0.8
107.08565	2.3
109.02847	1.0
109.06480	1.0
109.10155	1.3
111.08022	0.6
117.06989	0.9
119.08553	1.8
120.08859	0.6
121.06461	1.1
121.10118	1.6
122.06802	0.7
122.10456	0.6
123.04332	0.8
123.08044	0.8
124.99984	24.7
127.03876	0.9
129.07002	0.6
131.08545	1.4
131.95447	0.6
133.10156	1.3
135.11658	1.2
136.07568	1.3
136.35059	0.5
137.05959	1.3
142.07767	0.5
143.08527	1.0
145.10104	2.2
147.11647	1.0
149.05960	1.0
149.09605	0.7
157.10031	0.6
159.11676	0.8
163.11203	1.3
164.07037	0.9
167.07027	1.0
171.08014	0.9
173.13290	0.6
183.11760	0.5
184.07310	88.7
185.07747	0.7
189.09077	1.2
190.09529	0.5
218.03462	0.5
219.10057	0.5
224.27356	0.5
258.11057	1.1
265.90216	0.5
283.15326	1.2
286.15237	1.0
288.05667	0.6
303.04996	0.7
304.05264	1.4
304.16354	0.6
448.20850	6.5
466.21957	23.9
467.21948	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29102	2.7
53.03937	2.6
54.83249	2.7
55.05509	3.6
57.03416	5.7
57.07061	4.2
59.47062	2.0
61.22274	2.1
67.05476	8.5
69.03087	2.9
69.03419	25.9
69.07057	5.9
70.92455	4.5
79.05476	8.7
81.03410	4.1
81.07043	100.0
82.07378	3.4
85.02893	22.3
86.23711	2.6
87.04446	19.1
91.05456	5.9
92.50054	2.0
93.07024	7.3
95.04967	3.2
95.08584	32.0
97.02885	25.5
97.06541	2.9
105.07023	5.0
107.08578	9.7
109.10137	6.1
115.03918	41.6
119.08569	9.5
121.10123	3.8
123.08007	3.1
127.03877	5.4
133.04956	39.3
133.10132	5.7
135.07942	2.2
135.11653	2.4
137.13237	21.9
145.04935	3.8
145.10117	5.1
147.11726	6.5
150.07634	4.5
155.77705	2.5
159.11705	3.2
169.10023	2.4
173.13309	3.0
175.14903	2.3
184.07199	2.8
185.13226	2.7
203.33379	2.3
467.31253	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.248
Annotation	Halisulfate 8
Peak:m/z	Relative Intensity
55.05492	15.1
60.08155	9.3
61.02945	3.1
67.05493	18.3
69.03419	11.3
69.07050	11.5
70.06576	14.0
71.07357	3.9
71.70882	6.0
72.08144	9.0
79.05479	20.0
81.03404	4.5
81.07042	85.5
83.04971	18.5
83.08595	3.2
84.08143	3.7
85.02901	8.8
85.06499	4.3
86.09699	30.9
86.82092	3.1
87.10027	7.5
91.05448	15.0
93.07029	28.8
95.04944	11.4
95.08592	48.6
96.08156	3.8
97.02873	9.4
97.06519	4.1
97.10160	4.4
98.14869	3.3
98.98464	3.8
99.08112	6.2
104.10721	6.4
105.01713	3.0
105.07022	33.8
105.11063	3.6
107.08569	30.7
109.06493	5.2
109.10146	12.8
111.08089	5.8
112.83882	3.5
115.03934	7.2
117.07015	5.5
118.06879	3.7
119.08562	47.4
121.10101	17.9
123.11713	8.2
124.07539	15.9
124.99998	30.0
125.09634	3.8
126.00341	4.2
126.09144	12.7
127.03861	4.7
128.06218	4.8
129.07022	4.1
131.08521	19.3
133.04958	7.3
133.06409	3.7
133.10114	22.2
135.08098	5.9
135.11665	7.5
136.07521	15.3
137.13251	19.1
138.09142	4.2
142.07768	3.5
143.08533	12.7
145.10126	31.7
147.11630	18.4
149.09589	5.2
149.13254	9.3
155.08502	6.6
155.14282	6.4
156.09328	6.0
157.10132	21.6
159.09155	4.0
159.11661	26.3
161.13278	7.5
163.14795	4.6
169.10107	3.8
170.10852	3.4
171.11639	14.4
173.13252	28.3
175.14821	11.5
177.12686	4.9
177.16364	5.3
183.11658	7.0
184.07320	100.0
185.07655	28.4
185.13164	16.5
187.14882	16.0
189.16335	5.3
191.14244	6.9
197.13152	3.6
199.14742	16.5
201.12720	3.2
201.16408	12.8
203.14314	9.9
205.15874	11.3
213.16205	4.8
215.17747	3.2
217.15907	15.9
221.15382	7.4
231.17393	3.5
247.13258	23.7
261.15820	5.8
263.16425	4.2
269.12860	13.9
269.21152	5.9
279.32440	3.0
287.13962	7.6
287.22083	4.2
403.29510	4.7
409.27338	5.3
421.30978	6.1
431.29102	3.7
449.30399	7.2
467.22549	4.1
467.24832	3.6
467.31573	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	467.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.5
57.03205	0.9
57.03426	9.1
57.07067	31.0
59.75390	0.8
67.05145	0.8
67.05491	13.0
69.07069	4.7
70.84388	2.0
70.84757	1.0
71.08253	1.2
71.08620	22.1
72.07398	0.7
79.05474	1.2
81.06602	1.0
81.07040	9.8
83.08599	6.8
85.10163	12.1
89.06017	0.8
91.05443	1.2
93.07032	1.0
95.08590	14.0
97.10150	5.2
98.98450	41.1
107.96400	0.8
109.10135	8.9
111.11703	1.0
116.99513	1.3
121.10079	0.8
121.60836	0.7
123.11682	2.9
133.68640	0.7
136.99942	3.1
137.13225	1.0
155.01007	47.5
165.16396	0.9
173.11644	0.8
180.83463	0.8
182.47604	0.8
193.02562	0.8
211.03595	2.0
218.23969	0.9
229.04633	2.3
239.23674	6.2
244.28290	0.8
257.24808	1.3
271.46082	0.8
313.27304	100.0
314.27747	4.0
380.95267	0.7
393.23975	2.1
412.22293	0.9
449.26523	13.7
467.37344	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	467.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.8
57.03426	10.6
57.07068	34.5
58.19972	0.8
59.05001	0.9
67.05500	13.1
69.07050	5.4
69.36246	11.1
71.08619	22.6
72.90502	0.9
79.05479	1.1
81.07043	14.7
81.55024	0.9
83.08605	9.9
85.10171	13.1
92.11794	0.9
93.07037	1.1
95.02621	0.8
95.08591	18.7
95.34142	0.8
97.10153	3.6
98.98454	50.2
106.94047	1.0
107.08605	1.7
109.10136	11.2
116.99476	1.9
117.02289	1.0
119.08556	1.0
123.11677	2.8
136.99965	4.9
137.13277	1.3
155.01021	51.1
160.41367	1.1
193.02571	1.5
211.03596	2.4
229.04759	2.4
239.23650	5.8
248.88310	0.9
264.10925	1.1
313.27325	100.0
314.27640	5.2
383.77386	1.0
393.23837	1.1
393.73172	0.9
395.99313	1.1
449.26443	14.6
467.31149	3.2
467.37372	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	467.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.4
53.03940	5.1
53.23866	2.2
55.01847	2.6
55.05509	21.8
57.07066	5.0
60.08135	6.8
65.03940	2.7
67.05491	29.8
69.03407	9.7
69.07068	17.8
69.56760	14.2
69.57178	5.5
70.06573	9.8
71.04966	5.3
72.08144	7.6
73.06541	3.0
77.03904	2.6
79.05473	24.3
81.03432	4.8
81.07046	66.3
83.04972	39.7
83.08591	8.0
85.02894	8.3
85.06522	5.3
86.09694	24.7
87.10023	7.8
91.05449	30.9
93.07033	51.3
94.04123	2.5
95.04970	17.1
95.08593	61.8
96.08102	2.3
97.02885	4.2
97.06519	10.0
97.10178	2.6
98.98448	3.1
99.04443	3.1
99.08072	4.8
101.05979	2.7
104.10732	9.2
105.06331	4.5
105.07018	73.1
107.08578	66.5
107.76641	2.5
109.06525	12.8
109.10130	26.8
111.04459	4.3
111.08082	6.1
113.83630	2.0
114.99720	2.4
115.05510	2.5
117.07009	11.8
118.39844	2.2
119.08567	88.3
121.06486	4.8
121.10127	35.0
122.05958	2.3
123.08049	8.6
123.11666	13.2
124.07581	8.0
124.99944	17.3
125.09597	3.2
126.09111	6.5
127.03888	3.6
128.06207	6.7
129.06989	9.6
131.08545	46.4
133.06592	3.4
133.10114	50.7
135.08044	8.0
135.11691	16.6
136.07542	12.4
137.05939	2.5
137.09604	7.8
137.13237	7.6
138.09091	3.2
139.07619	2.4
139.11264	2.6
141.07007	3.9
142.07761	10.2
143.08528	28.9
144.09280	4.0
145.10107	76.8
147.08035	9.0
147.11667	45.9
149.09613	10.5
149.13239	26.0
151.07536	3.4
151.11176	4.9
152.07092	4.2
155.08569	6.9
156.09363	8.1
157.10095	49.9
158.10880	5.7
159.07994	4.3
159.11678	63.6
161.09627	9.1
161.13242	22.8
163.07590	6.3
163.11180	8.6
163.14842	7.6
164.07031	7.8
167.07117	3.4
167.08522	2.7
168.09348	3.5
169.10129	9.3
170.10904	9.3
171.11655	27.3
173.09618	4.0
173.13235	63.5
174.13483	2.8
175.11118	6.6
175.14799	29.2
177.12729	5.9
177.16362	12.7
181.10159	4.9
182.10796	3.0
183.11668	15.9
184.07330	61.4
185.07648	17.2
185.09299	2.2
185.13226	41.2
187.11275	2.8
187.14789	41.5
189.12703	4.0
189.16393	17.2
191.14291	11.6
193.15913	2.9
195.11691	3.5
197.13263	9.3
199.11183	3.1
199.14809	41.5
201.12679	19.2
201.16360	23.6
203.14307	27.7
203.17958	4.6
205.15866	16.7
209.13313	4.1
211.14838	7.0
213.12807	5.6
213.16371	11.4
215.14294	7.8
215.18034	3.9
217.12260	4.5
217.15823	34.1
219.13853	3.9
219.17464	3.2
221.13377	4.4
221.15398	13.1
223.14787	3.6
225.16286	4.0
229.15924	5.1
231.17548	5.3
233.15346	3.6
239.17982	2.9
245.15425	10.3
247.13274	77.6
248.13255	2.2
251.17944	4.0
261.15051	9.0
263.16479	9.1
269.18738	2.7
273.14856	3.5
287.13922	5.5
291.21030	3.0
313.17865	3.9
363.26849	3.0
398.07736	2.7
403.29843	8.4
409.27240	11.6
421.31061	18.7
437.30392	2.7
439.32132	4.4
449.30551	19.5
467.31567	100.0
468.31808	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	467.3151
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03929	6.7
55.01865	3.5
55.05507	25.0
57.03416	5.7
57.07052	4.2
64.90933	3.3
67.05499	32.7
69.03417	11.2
69.07053	17.4
71.04990	7.3
71.70713	5.1
71.71094	4.2
79.05486	33.5
81.03407	9.9
81.07043	79.3
83.04969	40.1
83.08631	10.0
85.02887	15.3
85.06523	8.7
86.09696	5.6
91.05478	41.3
93.07030	57.7
95.04952	17.5
95.08600	71.4
96.08910	3.1
97.02883	9.0
97.06543	20.6
97.10162	8.3
99.08089	15.9
105.07015	85.9
106.07347	3.6
107.08581	87.2
109.02853	6.9
109.06492	17.1
109.10150	25.3
111.04424	5.7
111.08091	9.2
115.05410	4.4
117.07000	16.1
119.08561	100.0
121.06490	8.0
121.10126	40.4
123.08057	14.1
123.11662	24.4
125.09616	10.0
127.03919	4.0
128.06218	4.5
129.06993	14.3
130.07784	6.4
131.08556	56.6
133.10106	53.0
133.11018	6.0
135.08037	8.6
135.11613	19.0
136.07588	3.8
137.02338	3.1
137.05978	6.5
137.09619	8.8
141.06931	7.1
142.07761	11.8
143.08546	31.0
144.09340	8.7
145.06462	4.3
145.10109	89.0
147.04401	6.7
147.08018	10.2
147.11681	50.0
149.09583	9.2
149.13225	17.0
151.07492	4.1
151.11143	7.6
155.08542	10.1
156.09361	11.3
157.10118	47.7
158.10869	6.6
159.08031	3.8
159.11678	80.0
161.09575	10.4
161.13251	33.7
163.07520	7.8
163.14838	9.9
164.07063	3.9
165.05499	13.3
169.10074	15.4
170.10901	6.3
171.11670	34.6
172.12367	3.5
173.09592	4.1
173.13225	49.4
175.07561	4.2
175.11212	6.5
175.14807	29.6
177.12672	4.1
177.16367	5.2
181.10112	3.6
183.11725	20.4
184.12538	4.9
185.09616	4.4
185.13251	29.1
187.14790	36.1
189.08990	3.6
189.12735	9.0
189.16362	12.5
191.10771	4.3
191.14302	13.8
195.11710	7.1
197.13252	13.0
199.14799	46.3
201.12740	8.9
201.16330	34.7
203.10641	3.9
203.14325	23.2
203.17874	5.7
205.15913	16.2
209.13254	12.0
211.14777	17.1
213.12793	3.5
213.16402	12.4
215.14334	9.3
215.17876	7.0
217.15857	23.8
219.13777	5.0
219.17377	7.5
221.13332	4.3
221.15396	10.5
223.14772	5.4
224.91115	3.6
225.16333	5.4
227.14198	5.5
227.18047	3.5
229.15839	7.8
231.13857	4.0
231.17406	4.4
233.18925	3.8
235.17123	3.7
237.16353	7.2
239.17932	5.9
241.15825	4.2
243.17380	5.6
245.15411	13.0
249.16418	4.2
251.18004	6.7
253.19664	4.9
263.16483	4.6
267.20963	5.0
269.18890	4.8
277.04752	3.6
287.13885	3.6
287.20096	7.9
304.08154	3.5
353.24786	4.6
357.24060	4.2
391.26178	6.4
403.29907	19.1
405.31506	4.9
409.27292	6.6
421.30991	33.0
431.29358	6.2
437.30560	4.6
439.32013	3.4
449.30527	28.0
467.31680	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3152
Annotation	Stellettin K
Peak:m/z	Relative Intensity
51.22566	1.7
53.03926	2.4
54.61607	1.7
55.05508	12.8
55.84732	1.7
57.07052	2.3
59.05018	1.7
63.43051	1.7
67.05495	21.0
69.07062	14.4
69.65792	14.4
71.04966	2.3
78.23943	2.0
79.05481	19.8
81.07046	48.6
82.77554	2.0
83.04974	39.9
83.05466	2.2
83.08604	5.0
85.06528	4.9
91.05477	28.4
93.07035	48.9
95.04978	14.4
95.08594	50.7
95.92936	2.1
97.06534	10.2
97.10172	3.0
99.08073	3.7
105.07018	87.0
107.08581	60.0
109.06511	8.6
109.10145	27.9
111.04428	7.0
111.08059	5.8
113.69722	1.8
115.05478	2.0
117.07010	18.7
119.08570	100.0
121.06490	5.4
121.10135	35.0
123.08057	9.7
123.11720	13.2
125.09629	4.3
128.06194	6.2
129.06978	10.3
130.07791	4.1
131.08551	63.9
133.06580	2.3
133.10117	61.9
135.08046	7.8
135.11678	15.6
137.09593	5.3
137.13222	2.3
141.06958	5.0
142.07791	10.0
143.08559	32.7
144.09335	9.2
145.10107	85.5
147.08034	2.7
147.11670	60.8
149.09572	5.5
149.13246	23.7
151.11237	3.5
155.08516	7.2
156.09302	7.2
157.10098	48.7
158.10870	3.5
159.08084	2.3
159.11678	84.9
161.09630	9.9
161.13245	25.9
163.07486	6.3
163.11139	6.1
163.14818	10.5
168.09357	5.2
169.10121	12.2
170.10838	4.6
171.11665	28.3
172.12332	2.9
173.09550	3.8
173.13239	64.3
175.11150	6.2
175.14801	29.0
177.12726	6.8
177.16370	16.4
181.10109	5.4
182.10861	3.0
183.11702	23.4
184.12393	5.1
185.09570	2.1
185.13245	28.2
187.11162	2.6
187.14799	37.4
189.12695	8.8
189.16324	12.9
191.14301	19.7
191.17921	3.3
195.11708	4.1
197.13300	11.8
199.11165	4.0
199.14793	58.7
201.12715	37.6
201.16385	32.4
203.14330	33.2
203.17957	4.1
205.12238	6.0
205.15857	33.9
209.13235	6.1
211.14642	10.1
213.16219	10.7
215.14296	12.7
215.17902	3.5
217.15866	47.5
217.19449	2.2
219.13887	3.1
219.17355	4.0
221.15347	18.9
223.14868	3.0
225.16295	4.6
227.14278	5.7
227.17976	5.9
229.12244	2.2
229.15846	7.7
231.17419	5.5
233.15353	3.9
237.16455	3.7
239.17882	5.5
241.19502	2.2
243.13947	2.1
243.17358	4.4
245.15353	16.1
247.13196	12.1
247.16933	2.5
251.17938	3.6
257.19012	4.0
263.16479	7.2
265.19339	2.3
269.18979	2.4
271.20300	2.3
345.25870	3.2
363.26877	15.7
375.30627	2.6
385.28632	4.3
386.31149	2.1
388.83749	2.3
391.26120	8.3
403.29974	18.0
405.31625	2.6
409.27319	23.1
419.29425	2.8
421.31061	35.0
431.29327	6.4
439.32028	3.9
449.30515	27.4
450.29694	1.9
467.31583	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	467.3149
Annotation	Stellettin K
Peak:m/z	Relative Intensity
51.00806	2.9
53.03914	4.4
55.05500	18.3
61.39783	3.4
67.05495	23.9
69.07043	13.0
69.53755	30.3
70.56036	3.5
72.66301	2.9
79.05468	22.4
81.07046	49.0
83.04507	5.6
83.04967	76.2
83.08578	5.8
91.05461	30.7
93.07019	48.3
95.04975	18.9
95.08595	52.2
96.45232	3.7
97.06498	6.5
105.07013	93.2
105.72271	3.3
107.08567	61.5
108.06031	3.6
109.06475	11.1
109.10132	29.5
111.04390	6.5
111.08065	5.5
115.05460	5.0
117.06994	11.7
119.08569	100.0
121.10120	36.1
123.08023	13.6
123.11685	12.9
129.06953	14.7
130.07767	5.2
131.08545	55.2
133.10117	47.7
135.08064	3.9
135.11664	12.8
141.82442	3.5
142.07747	14.0
143.08540	31.5
144.09309	8.8
144.72394	3.2
145.10097	82.3
147.07881	3.8
147.11682	42.8
149.05998	4.6
149.09540	5.5
149.13216	18.1
151.11176	4.5
155.08531	13.0
156.09311	9.6
157.10104	51.5
158.10869	7.2
159.08087	6.1
159.11674	67.7
161.09630	6.2
161.13229	25.5
163.07474	7.0
163.11163	6.2
163.14832	7.2
168.09273	4.9
169.10126	10.4
170.10828	6.3
171.08043	3.6
171.11650	29.8
173.13251	64.5
175.11259	4.6
175.14786	27.7
177.12828	8.2
177.16370	7.1
181.10065	5.6
183.11681	44.6
185.13243	29.8
187.11082	3.6
187.14804	39.0
189.16367	14.2
191.14304	16.7
195.11664	6.9
197.13245	12.8
199.11134	3.7
199.14793	50.7
201.12711	89.7
201.16336	31.8
203.14288	23.7
203.17892	4.9
205.12219	14.0
205.15872	15.4
209.13199	9.0
211.14816	8.3
213.16290	12.3
215.14296	12.4
215.17978	5.6
217.15799	20.6
219.13631	4.8
219.17319	3.8
221.15314	18.2
229.15785	6.1
231.13785	3.6
239.17853	7.8
245.15382	9.3
247.13307	34.6
251.17973	5.2
257.15289	7.1
279.21185	4.0
306.04300	3.9
363.26804	6.9
391.25903	8.3
403.29996	19.6
409.27350	5.7
421.30942	35.4
431.29288	4.1
449.30389	24.8
467.31650	59.2
481.70508	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.315
Annotation	Stellettin K
Peak:m/z	Relative Intensity
51.02376	3.1
53.03933	3.4
55.01866	2.6
55.05507	23.3
57.03432	2.4
57.07052	3.4
65.03940	6.2
67.05184	3.2
67.05502	35.5
69.03418	4.8
69.07051	23.8
71.04974	4.3
71.31378	5.4
77.03896	2.8
79.05480	28.7
81.03392	4.2
81.07043	69.4
83.04976	15.1
83.08599	12.2
85.02878	11.3
85.06524	6.8
86.21900	2.6
91.04984	3.7
91.05474	37.4
93.07031	60.3
95.04935	14.9
95.08598	82.6
97.06531	7.7
97.10165	4.7
99.04454	3.6
99.08097	5.8
105.07021	60.9
107.04932	3.7
107.08580	82.8
109.06496	16.2
109.10141	42.5
111.08087	6.2
112.32227	2.5
117.03203	2.7
117.06992	13.3
119.08565	97.1
119.09412	5.4
121.06480	7.7
121.10120	52.0
123.08092	15.6
123.11694	15.2
123.80191	2.8
125.05913	3.3
125.09637	7.8
127.07568	3.6
128.06224	4.6
129.06975	10.2
129.82127	3.3
131.08548	40.8
133.10101	54.0
135.08022	6.7
135.11678	18.9
137.09599	8.2
137.13226	4.7
141.06956	3.7
141.08995	3.2
142.07750	7.7
143.08556	28.9
144.09291	5.1
145.10115	73.1
147.08017	4.4
147.11671	42.5
149.09572	6.7
149.13202	14.4
151.07515	3.6
151.11142	4.2
153.09018	4.3
153.10320	2.8
155.08504	9.6
156.09334	6.0
157.10100	37.7
158.10863	4.4
159.08026	5.0
159.11671	45.5
161.09599	9.2
161.13264	23.6
163.07539	6.7
163.11172	6.6
163.14812	10.8
165.12775	3.8
167.08536	5.6
169.10129	19.1
170.10823	8.3
171.07912	3.4
171.11702	29.1
173.09682	5.8
173.13239	50.8
175.11115	7.1
175.14786	32.3
177.09169	3.4
177.12750	4.7
177.16388	4.5
181.10098	4.4
182.10880	4.0
183.11684	16.9
185.09598	3.5
185.13216	25.3
187.11206	5.1
187.14778	53.2
189.12752	5.1
189.16348	10.9
191.14236	4.2
193.10226	3.2
193.12233	2.9
195.11656	4.4
196.12392	4.1
197.13182	17.5
199.14793	43.2
201.12675	10.8
201.16377	42.0
203.14317	10.6
203.17902	5.3
205.15862	5.4
207.11739	6.3
209.13242	7.2
211.14789	13.5
213.16377	21.9
215.14290	7.3
215.17943	7.2
217.15782	6.4
219.13770	7.3
219.17319	3.6
221.13303	4.1
221.15291	9.7
223.14795	7.9
225.16377	16.3
227.17867	8.8
229.15765	8.7
229.19478	4.0
233.15324	10.2
235.16946	4.4
237.16307	9.7
239.17932	16.8
241.15826	3.7
241.19435	7.3
243.17285	3.3
245.15309	12.0
247.16901	7.7
251.18111	6.6
253.19469	7.4
257.19061	3.1
259.16861	5.8
263.17990	4.1
265.19431	5.2
267.21033	4.4
271.16946	5.1
279.14838	3.0
283.17004	3.0
287.20148	5.5
289.62177	3.1
299.20190	3.0
313.21448	3.4
319.24051	3.3
325.21521	3.3
339.23132	4.4
375.30350	5.9
403.30057	19.9
405.31332	7.2
409.27237	6.8
412.97879	3.1
421.30981	100.0
422.31161	4.9
423.32361	7.0
431.29596	7.2
449.30392	30.2
467.31662	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	467.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	10.5
57.03437	1.2
57.07070	33.5
59.04988	4.1
65.03925	2.9
67.05495	100.0
68.05821	1.3
69.07058	8.4
70.66952	1.2
70.67336	1.4
71.04977	2.5
71.08623	25.6
71.09019	1.2
79.05488	2.6
81.07046	27.9
83.08610	14.2
85.06535	3.0
85.09669	1.0
85.10170	13.1
91.05475	5.3
92.85750	0.6
93.07028	4.0
95.08595	24.0
97.10153	4.8
99.08094	0.9
99.11749	0.7
107.08576	1.4
109.10143	82.7
110.10455	0.9
111.08061	2.6
111.11719	1.5
113.13267	0.6
119.08582	4.7
120.17349	0.7
123.11688	4.6
125.13244	1.9
127.11192	1.0
137.09608	3.0
137.13249	2.6
142.96852	0.6
151.14865	0.9
155.10649	4.9
172.14873	0.6
173.11717	27.5
221.22729	0.8
239.23662	9.1
342.60803	0.7
349.68832	0.6
421.81335	0.6
467.37292	90.7
468.37357	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	467.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
55.05507	13.2
55.66063	1.0
57.03417	1.9
57.07066	34.2
57.15834	0.8
59.04987	4.3
60.90409	0.8
65.03912	2.2
67.05495	100.0
68.05833	0.9
69.07065	9.3
69.46068	7.6
69.46472	1.4
71.04969	4.1
71.08242	1.7
71.08620	24.2
71.18657	0.9
79.05471	3.1
81.07046	29.0
83.08607	15.4
85.06539	3.4
85.10172	10.6
91.05465	6.8
93.07028	4.7
95.08589	24.0
97.10146	4.9
107.08578	1.8
109.10139	78.9
110.10472	1.8
111.08053	2.2
111.11687	1.1
114.01434	0.9
119.08564	5.1
123.11692	3.8
125.13253	1.9
133.77791	0.9
137.09619	3.7
137.13260	2.4
155.10664	5.2
173.11713	24.0
174.12096	1.0
239.23669	7.9
467.37296	77.6
468.37677	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	467.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30048	0.9
53.00286	0.9
55.05501	11.8
57.03414	2.0
57.07065	39.1
59.04985	4.7
65.03922	2.9
67.05493	100.0
68.05828	1.2
69.07047	8.4
69.41299	4.2
69.41719	4.6
71.04969	3.7
71.08256	1.5
71.08621	24.5
77.49797	0.8
79.05465	3.7
81.07043	29.2
83.08605	15.6
85.06513	3.2
85.10162	14.4
91.05460	6.0
93.07030	4.6
95.04962	1.0
95.08592	27.2
97.10141	5.1
99.08073	0.9
102.60007	0.8
107.08557	1.3
109.10136	84.9
110.10465	1.3
111.08047	3.4
111.11709	2.0
119.08593	5.2
123.11690	5.3
125.13332	1.1
137.09554	4.4
137.13194	1.9
151.14827	0.9
155.10651	3.4
173.11703	30.1
189.64027	0.8
221.22557	1.5
239.23651	10.3
467.37271	90.3
468.37714	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	467.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	11.0
57.03424	2.2
57.07068	37.7
59.04977	3.7
61.31784	1.5
65.03926	3.4
66.21450	1.9
67.05495	100.0
69.07046	7.8
71.04971	2.5
71.08620	21.9
71.72261	2.9
79.05488	3.5
81.06617	2.4
81.07050	27.9
83.08601	15.0
85.06510	2.6
85.10169	15.1
85.51942	1.7
91.05462	5.6
95.08594	25.4
97.10142	5.7
107.08553	3.2
109.10142	79.9
111.08063	2.5
119.08555	4.9
123.11709	5.8
137.09569	5.1
137.13171	2.5
155.10655	2.8
173.11694	29.1
186.34106	2.1
227.86807	1.7
239.23709	10.4
411.74719	1.8
467.37268	81.6
468.37952	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	468.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.2
57.03423	0.3
58.06608	0.3
60.08151	5.8
67.05484	0.5
70.04201	0.8
71.07362	2.8
79.05488	0.2
81.03395	0.5
81.07035	0.6
83.08726	0.2
85.02878	0.6
86.09688	31.7
87.10033	0.3
88.74974	0.2
91.05461	0.5
91.76672	0.2
93.07030	0.3
95.04953	0.3
98.98451	3.1
101.51791	0.2
104.10719	3.4
105.07025	0.4
119.08546	0.3
121.10155	0.4
123.89518	0.3
124.99979	22.9
135.11591	0.3
139.11195	0.3
158.08035	0.2
184.07307	100.0
185.07677	0.9
232.22441	0.2
245.08099	0.2
450.22260	1.0
468.23587	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	468.235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76090	0.3
53.03936	0.4
55.05495	1.5
56.05027	0.7
57.03415	1.2
58.06590	1.5
59.07378	0.5
60.08154	15.7
67.05492	1.9
69.03419	0.8
69.07056	0.9
70.00233	1.4
70.00649	0.7
70.06576	0.8
71.04971	0.9
71.07361	6.1
72.08130	0.4
74.12748	0.3
79.05462	1.7
81.03399	1.5
81.07035	2.8
83.04966	1.0
83.08604	0.8
84.08150	0.4
85.02904	3.7
86.03258	0.4
86.09692	46.9
87.10042	0.5
91.05460	2.9
92.05818	0.3
93.07034	1.9
95.04948	1.3
95.08601	1.9
95.59953	0.4
97.02870	0.7
97.06515	0.5
98.98447	4.1
100.11240	0.6
104.10725	100.0
105.07008	2.1
105.11059	1.1
107.04926	0.5
107.08591	1.8
109.02847	0.5
109.06509	0.5
119.08529	2.2
120.08939	0.4
121.10125	1.1
124.99982	26.6
127.03893	0.6
131.04878	0.4
131.08545	1.2
133.06488	0.4
133.10115	1.0
135.11601	0.5
143.01010	0.8
145.10083	1.5
146.10445	0.4
147.11678	0.8
147.80800	0.4
153.01822	0.4
157.10071	0.9
158.10411	0.5
159.11681	1.2
160.12009	0.4
160.13264	0.5
161.13161	0.5
163.03836	0.4
163.11081	0.4
173.13200	0.5
174.13512	0.4
175.11154	0.4
181.02589	0.5
184.07314	85.4
187.14780	0.6
188.15089	0.6
199.14911	0.4
201.22787	0.4
202.16818	0.6
230.05270	0.5
258.11066	0.5
269.50620	0.4
285.16730	0.7
303.05005	2.3
304.05301	3.9
305.05472	4.7
306.05807	6.4
361.07404	0.4
422.31326	0.5
433.15872	0.4
450.22556	6.8
450.30969	0.9
468.23538	27.3
468.31351	1.3
469.23776	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01862	0.7
55.05484	0.9
57.03428	30.1
59.04997	4.0
67.05483	1.5
69.03420	11.6
69.07058	2.2
69.89389	2.5
69.89806	1.4
70.06590	0.9
71.04982	1.1
75.04464	0.7
79.05479	4.9
81.03385	0.9
81.07046	15.9
81.91899	0.7
83.04959	1.2
85.02891	9.5
85.06508	0.8
86.09698	2.1
87.04448	7.0
91.05467	2.4
93.07027	10.7
95.04948	1.0
95.08583	5.4
97.02887	9.4
97.06491	1.8
101.86683	0.7
104.10719	1.1
105.06963	1.3
105.41322	0.6
107.08566	0.8
108.22572	0.7
109.02827	0.8
115.03917	8.5
115.07554	1.1
119.08549	0.7
121.10130	30.2
125.00028	1.0
127.03915	2.2
133.04941	8.9
136.07518	1.0
139.11159	100.0
140.11517	2.0
145.04948	0.8
150.07570	2.6
153.12767	0.8
157.12152	0.8
164.06903	0.6
172.64888	0.8
179.10561	0.6
184.07356	4.3
206.69229	0.7
318.78967	0.6
346.36795	0.8
451.09875	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	6.8
55.05502	14.4
57.03427	5.8
60.08142	14.4
67.05476	18.6
69.03412	11.6
69.07040	19.5
70.06566	11.7
71.04968	10.6
71.70559	9.4
79.05466	16.6
81.03400	17.8
81.07047	36.9
83.04950	16.6
83.08579	10.0
85.02880	23.8
85.06503	8.0
86.09705	47.9
91.05460	16.6
93.07040	38.5
95.04934	9.4
95.08585	40.0
97.02875	12.0
97.06505	21.1
98.98440	9.5
99.04434	16.6
104.10733	85.6
105.07005	24.4
107.04957	6.1
107.08560	25.1
109.06512	21.1
109.10137	11.6
111.04442	6.8
111.08039	12.5
119.08536	17.6
121.06492	40.6
121.10116	14.0
123.08059	7.0
123.11676	8.4
124.99983	27.2
125.05920	15.6
131.08582	10.0
133.10107	10.1
134.44734	8.5
134.50290	5.8
135.08052	5.4
135.11644	9.4
137.05942	12.5
139.07561	10.4
142.07753	8.6
145.10011	12.0
147.04399	11.0
147.08148	6.2
147.11674	29.2
149.09642	6.0
151.03857	9.4
151.11125	6.9
157.10121	17.4
159.06490	6.5
161.13251	7.1
164.07068	11.8
165.12662	11.3
169.12161	12.7
171.11653	10.7
172.66135	5.7
173.13049	7.2
175.11165	18.7
184.07315	100.0
188.24707	5.9
189.12718	15.1
193.12157	17.6
199.11180	14.6
211.13252	22.2
217.12256	43.3
229.14273	14.0
235.13249	78.8
253.14342	97.9
256.13068	6.6
271.15393	13.5
288.12317	6.3
289.16370	12.5
290.10287	8.8
306.13333	7.3
307.12869	9.1
308.16098	6.8
319.96838	6.5
324.70636	7.4
351.18613	6.7
450.22406	6.4
468.23303	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
56.96547	3.1
57.03424	2.0
61.02909	1.9
69.03412	8.7
70.06564	1.7
70.97778	2.5
71.01327	1.1
71.04982	2.0
73.02895	2.6
73.85803	1.1
77.00876	1.4
79.05474	2.4
80.98829	1.0
81.03387	5.1
81.07005	1.4
82.99884	1.4
85.02889	18.6
86.03252	1.0
87.04424	1.8
91.03927	2.3
91.05473	1.9
93.07012	1.8
94.99848	1.2
96.92961	1.0
97.02882	6.5
98.97570	9.0
99.04451	2.2
101.00859	5.0
103.02420	3.7
105.06977	1.5
107.04960	1.1
109.02872	2.1
110.97491	1.2
113.00854	2.2
115.02413	3.2
116.98612	6.8
119.01110	1.3
119.01920	19.7
120.02026	1.8
121.01637	4.0
121.03436	2.6
121.06474	3.1
123.04450	1.5
125.01726	1.2
127.02444	1.7
127.03903	4.9
128.98590	2.2
129.03963	3.1
131.01892	13.5
131.04945	1.2
132.01831	1.8
133.03456	17.2
134.03494	1.5
134.99594	1.6
136.07549	1.4
137.02919	2.5
137.05968	1.6
141.03972	1.5
143.00153	1.5
143.01862	11.4
144.01875	1.3
145.01671	2.6
145.03433	10.9
145.04919	4.4
146.99614	2.7
147.03186	2.5
147.05026	8.5
149.01102	1.4
149.02936	2.5
149.05942	8.7
150.06252	2.0
151.04477	3.0
152.02374	1.5
153.02321	1.2
153.04086	1.8
153.05469	1.0
155.01846	10.4
156.02574	0.9
157.01677	2.9
157.03453	8.2
158.99699	3.2
159.03201	2.9
159.05032	6.0
161.02951	18.1
161.06659	1.3
162.03043	2.2
163.02660	4.0
163.04468	1.9
165.06152	1.3
167.01834	2.2
167.07071	2.5
169.02086	1.1
169.03433	4.1
171.05022	12.1
173.01469	1.4
173.02954	22.8
174.03070	2.2
175.02708	5.4
175.04504	8.8
177.00717	3.9
177.02223	1.2
177.04369	1.6
177.06067	5.9
179.01917	1.8
181.03487	1.1
181.05099	1.2
183.05051	6.6
184.04617	1.4
185.01364	2.0
185.02901	10.0
185.06581	3.6
186.02974	1.4
187.02823	2.1
187.04482	9.1
187.06190	1.7
189.00731	1.5
189.04396	2.0
189.06027	6.1
191.02214	1.2
191.03984	2.4
195.05234	2.0
195.07101	5.8
197.02933	6.0
197.04504	1.1
197.06604	1.5
199.02831	1.7
199.04515	3.7
201.00719	1.6
201.06023	4.6
203.03983	11.7
205.03703	3.5
205.05556	6.6
211.02742	1.4
211.04538	4.7
213.05971	2.6
215.04015	2.6
217.03746	1.4
217.05598	3.7
218.99875	1.0
219.01714	5.7
219.05215	1.3
219.07117	23.0
219.09088	1.9
220.07281	1.7
221.05014	14.8
223.04819	3.1
224.54526	1.2
225.04291	1.5
225.06238	2.1
225.08101	1.8
226.05975	1.2
227.03908	3.2
229.05534	2.7
231.07104	23.5
232.03459	1.4
233.08740	6.3
235.06596	1.3
237.02791	10.8
237.06152	1.3
239.06091	1.5
245.05045	33.9
246.05289	4.2
247.02336	1.5
247.04602	8.3
249.08232	2.5
255.04213	1.2
255.07155	9.4
257.04977	2.1
259.06570	4.7
261.02676	2.5
261.05927	2.4
261.08249	4.4
263.06125	8.1
263.10010	1.1
264.06570	1.6
265.07852	1.5
273.08237	7.3
275.05917	8.9
276.06339	2.0
277.07932	2.0
279.03751	3.3
279.57349	1.2
282.70505	1.2
283.06772	1.4
286.07779	2.0
289.07764	5.5
291.09402	1.7
297.07953	1.3
303.09125	1.4
305.07108	4.7
307.08948	6.5
321.10306	100.0
322.10446	7.0
323.09998	1.8
335.06375	2.2
337.09692	1.6
339.11520	8.8
349.08398	1.5
351.11359	12.5
365.09024	1.9
367.11081	2.0
395.04617	2.5
409.10004	1.9
451.13120	2.1
469.13950	32.4
470.14282	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
56.96547	3.1
57.03424	2.0
61.02909	1.9
69.03412	8.7
70.06564	1.7
70.97778	2.5
71.01327	1.1
71.04982	2.0
73.02895	2.6
73.85803	1.1
77.00876	1.4
79.05474	2.4
80.98829	1.0
81.03387	5.1
81.07005	1.4
82.99884	1.4
85.02889	18.6
86.03252	1.0
87.04424	1.8
91.03927	2.3
91.05473	1.9
93.07012	1.8
94.99848	1.2
96.92961	1.0
97.02882	6.5
98.97570	9.0
99.04451	2.2
101.00859	5.0
103.02420	3.7
105.06977	1.5
107.04960	1.1
109.02872	2.1
110.97491	1.2
113.00854	2.2
115.02413	3.2
116.98612	6.8
119.01110	1.3
119.01920	19.7
120.02026	1.8
121.01637	4.0
121.03436	2.6
121.06474	3.1
123.04450	1.5
125.01726	1.2
127.02444	1.7
127.03903	4.9
128.98590	2.2
129.03963	3.1
131.01892	13.5
131.04945	1.2
132.01831	1.8
133.03456	17.2
134.03494	1.5
134.99594	1.6
136.07549	1.4
137.02919	2.5
137.05968	1.6
141.03972	1.5
143.00153	1.5
143.01862	11.4
144.01875	1.3
145.01671	2.6
145.03433	10.9
145.04919	4.4
146.99614	2.7
147.03186	2.5
147.05026	8.5
149.01102	1.4
149.02936	2.5
149.05942	8.7
150.06252	2.0
151.04477	3.0
152.02374	1.5
153.02321	1.2
153.04086	1.8
153.05469	1.0
155.01846	10.4
156.02574	0.9
157.01677	2.9
157.03453	8.2
158.99699	3.2
159.03201	2.9
159.05032	6.0
161.02951	18.1
161.06659	1.3
162.03043	2.2
163.02660	4.0
163.04468	1.9
165.06152	1.3
167.01834	2.2
167.07071	2.5
169.02086	1.1
169.03433	4.1
171.05022	12.1
173.01469	1.4
173.02954	22.8
174.03070	2.2
175.02708	5.4
175.04504	8.8
177.00717	3.9
177.02223	1.2
177.04369	1.6
177.06067	5.9
179.01917	1.8
181.03487	1.1
181.05099	1.2
183.05051	6.6
184.04617	1.4
185.01364	2.0
185.02901	10.0
185.06581	3.6
186.02974	1.4
187.02823	2.1
187.04482	9.1
187.06190	1.7
189.00731	1.5
189.04396	2.0
189.06027	6.1
191.02214	1.2
191.03984	2.4
195.05234	2.0
195.07101	5.8
197.02933	6.0
197.04504	1.1
197.06604	1.5
199.02831	1.7
199.04515	3.7
201.00719	1.6
201.06023	4.6
203.03983	11.7
205.03703	3.5
205.05556	6.6
211.02742	1.4
211.04538	4.7
213.05971	2.6
215.04015	2.6
217.03746	1.4
217.05598	3.7
218.99875	1.0
219.01714	5.7
219.05215	1.3
219.07117	23.0
219.09088	1.9
220.07281	1.7
221.05014	14.8
223.04819	3.1
224.54526	1.2
225.04291	1.5
225.06238	2.1
225.08101	1.8
226.05975	1.2
227.03908	3.2
229.05534	2.7
231.07104	23.5
232.03459	1.4
233.08740	6.3
235.06596	1.3
237.02791	10.8
237.06152	1.3
239.06091	1.5
245.05045	33.9
246.05289	4.2
247.02336	1.5
247.04602	8.3
249.08232	2.5
255.04213	1.2
255.07155	9.4
257.04977	2.1
259.06570	4.7
261.02676	2.5
261.05927	2.4
261.08249	4.4
263.06125	8.1
263.10010	1.1
264.06570	1.6
265.07852	1.5
273.08237	7.3
275.05917	8.9
276.06339	2.0
277.07932	2.0
279.03751	3.3
279.57349	1.2
282.70505	1.2
283.06772	1.4
286.07779	2.0
289.07764	5.5
291.09402	1.7
297.07953	1.3
303.09125	1.4
305.07108	4.7
307.08948	6.5
321.10306	100.0
322.10446	7.0
323.09998	1.8
335.06375	2.2
337.09692	1.6
339.11520	8.8
349.08398	1.5
351.11359	12.5
365.09024	1.9
367.11081	2.0
395.04617	2.5
409.10004	1.9
451.13120	2.1
469.13950	32.4
470.14282	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.3
55.01861	1.3
55.05497	17.3
57.03410	1.7
57.07057	5.0
59.04972	1.9
65.03918	3.1
67.05490	25.4
69.03418	6.6
69.03730	1.1
69.07057	11.4
70.06584	1.5
71.04971	9.4
71.25997	1.1
79.05466	12.4
81.03403	11.6
81.07040	100.0
82.07387	2.3
83.04961	13.1
83.08611	9.3
85.02875	9.5
85.06522	7.3
89.06020	1.7
91.05460	14.7
93.07030	27.4
95.04948	9.5
95.08589	37.1
97.02850	4.7
97.06502	4.2
97.10155	8.1
98.20654	2.1
99.04429	4.4
99.08047	5.5
99.72626	1.2
101.05981	1.6
103.05471	1.6
105.07010	28.8
107.04955	1.8
107.08573	35.2
109.02861	9.1
109.06487	7.5
109.10137	18.1
111.04405	2.9
111.08070	4.6
117.06995	6.2
119.08562	35.2
120.08016	1.3
120.08892	2.5
121.06500	3.0
121.10114	19.6
123.04285	1.4
123.08020	5.1
123.11676	64.0
124.12016	1.6
125.06030	1.2
125.09563	3.4
127.03870	10.0
128.06186	1.7
129.06969	3.5
131.08533	16.6
133.10106	27.9
135.08015	5.1
135.11688	9.9
137.05968	2.6
137.09555	2.3
139.03859	3.1
141.12723	3.2
142.07722	1.4
143.08516	7.7
144.09215	1.6
145.04953	1.5
145.10091	25.6
146.06010	1.4
147.04442	1.8
147.11661	14.6
149.09564	3.1
149.13217	5.7
151.07550	1.3
151.11159	13.4
155.08469	2.2
157.10152	7.8
159.08145	2.0
159.11668	18.8
161.09557	3.0
161.13226	8.4
162.05473	8.8
163.03842	4.0
163.07509	3.8
163.11087	3.2
163.14771	4.8
165.09132	1.8
169.10052	3.3
169.12209	23.7
171.11641	9.4
173.13255	13.1
175.14821	9.9
177.16397	4.4
180.65619	1.3
181.10040	1.5
183.11662	5.5
185.13185	11.7
187.13246	27.0
187.14812	19.4
189.16367	6.8
191.14255	5.7
191.17874	2.0
193.15820	3.1
195.11688	1.6
197.13167	3.7
199.11197	1.4
199.14789	13.3
201.12740	1.2
201.16367	18.7
203.14262	6.7
203.17874	3.6
205.15860	9.7
209.13255	2.0
211.14810	4.0
213.16312	7.5
215.14272	2.8
215.17921	2.4
217.15866	4.2
219.13904	1.6
219.17415	6.4
221.15225	2.9
223.14687	1.5
225.16403	2.3
227.17917	1.9
229.15974	2.4
229.85706	1.7
231.17458	2.8
233.15279	2.8
239.17883	1.8
241.19427	2.1
245.15321	2.5
247.16975	3.0
249.14725	2.2
253.19473	3.1
257.08090	2.9
259.16989	1.5
267.21066	2.0
289.17850	1.8
295.15527	3.2
313.16299	4.3
319.24316	1.8
331.17401	11.5
367.11987	3.3
387.30444	2.8
388.80072	1.4
394.59061	1.5
405.31485	16.6
407.32825	3.6
421.31100	2.0
423.32474	10.4
433.31042	1.9
439.32422	2.0
451.32101	10.2
469.15701	5.0
469.32703	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	469.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	33.5
57.03432	19.4
67.05488	69.2
69.03414	15.8
69.07050	35.1
71.04972	19.5
71.05337	16.4
71.05703	14.1
72.42117	7.4
79.05476	55.2
79.50110	7.0
80.27294	9.7
81.03400	27.4
81.07043	100.0
83.04951	16.5
83.08573	19.0
85.02892	20.9
85.06540	12.8
86.09710	14.6
91.05466	34.1
93.07019	48.5
95.04938	9.7
95.08589	51.0
97.06516	23.1
97.10139	10.9
98.98478	10.8
99.08035	10.4
100.11244	23.0
101.06034	10.9
103.05459	10.2
104.10711	16.5
105.07017	32.1
107.04910	17.8
107.08569	44.4
109.02838	11.1
109.06493	12.0
109.10147	29.7
111.04433	22.3
111.08105	14.6
119.08581	22.0
121.06481	11.8
121.10106	46.0
123.11632	13.4
131.08551	14.3
133.10077	14.7
135.07993	15.6
135.11687	23.0
145.10103	15.9
147.04305	10.2
147.11667	16.1
149.13324	9.2
159.11667	8.7
161.13284	8.8
163.03845	13.7
173.13318	9.4
182.15373	13.3
184.07314	22.0
185.07719	7.9
198.14865	25.7
210.14830	23.5
217.19489	26.0
226.14380	12.5
235.20549	26.3
253.21625	50.4
265.14316	26.5
271.10748	35.4
271.19089	10.0
271.22620	35.4
289.11798	31.1
297.17056	14.8
337.21304	10.6
423.32748	11.5
452.31433	12.5
469.33310	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	469.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09959	7.3
53.03935	9.7
55.01846	9.0
55.05499	35.1
57.03410	10.9
67.05493	71.3
69.03400	12.8
69.07051	30.0
71.04963	16.6
79.05485	59.3
81.03403	26.9
81.07050	100.0
81.98186	8.8
83.04985	10.8
83.08582	25.2
84.99180	7.9
85.02875	33.3
85.06512	11.3
86.09692	22.9
91.05455	27.7
93.07010	34.0
95.04945	20.0
95.08595	55.3
97.02881	9.4
97.06511	25.6
97.10138	16.6
98.09699	13.5
98.98447	24.3
99.08072	12.1
100.11211	13.8
104.10767	20.8
105.07015	31.5
105.11086	9.3
107.04917	13.0
107.08563	38.3
109.06503	11.7
109.10126	30.7
111.04380	23.7
119.08551	32.6
121.06484	11.2
121.10118	45.7
123.11736	8.7
127.03864	11.5
133.10106	15.2
135.08028	8.6
135.11661	26.2
145.10115	10.5
147.11729	8.5
149.13252	14.0
157.10126	8.6
161.13231	15.0
163.03879	17.1
182.15437	13.2
184.07335	26.7
198.14871	15.5
209.11584	10.5
210.14902	21.4
217.19472	26.6
226.14415	14.7
235.20638	15.8
253.21693	53.0
265.14240	14.0
271.10730	37.3
271.22678	29.9
289.11691	34.5
297.17026	14.6
354.23648	16.4
469.23782	10.4
469.33749	16.2
481.89957	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.6
55.01897	2.1
55.05511	18.9
57.07059	6.9
61.50115	2.6
67.05510	22.7
69.03417	5.2
69.07055	25.6
71.04976	3.7
76.45409	2.6
79.05472	26.7
81.03402	6.8
81.07050	51.6
83.04971	17.6
83.08617	15.7
85.02889	6.4
85.06524	10.0
85.52851	2.4
90.10874	2.6
91.05470	32.3
93.07037	53.6
95.04948	10.9
95.08598	74.5
97.06505	7.3
97.10192	3.0
98.21452	6.4
99.08083	8.3
99.50171	2.7
105.07017	75.5
107.04928	3.3
107.08587	75.9
109.06485	8.9
109.10155	43.9
111.04444	2.9
111.08054	9.6
115.05393	3.7
117.06992	16.0
119.08568	100.0
121.06485	8.9
121.09253	4.0
121.10132	69.0
122.45967	2.2
123.08038	9.1
123.11671	19.2
125.05883	2.8
125.09603	3.5
127.03900	4.1
128.06146	3.5
129.06967	9.1
130.07779	4.0
131.08569	43.3
133.10124	57.8
135.08066	8.0
135.11681	38.0
137.09595	4.3
137.13260	6.2
137.63791	2.9
141.07039	3.5
142.07738	8.1
143.08531	19.0
144.09348	4.0
145.10114	89.2
147.08020	4.2
147.11671	37.5
149.09599	6.2
149.13240	22.5
151.11139	5.2
153.09074	2.4
154.36273	2.4
155.08510	5.7
156.09341	6.1
157.10107	42.9
159.11678	63.0
161.09630	3.9
161.13263	38.0
163.07539	8.8
163.11174	20.4
163.14786	14.6
167.08517	3.4
169.10129	9.1
170.10896	7.5
171.11650	24.2
172.12459	4.4
173.09686	3.4
173.11836	4.7
173.13248	41.4
175.11118	4.0
175.14809	35.4
176.15137	2.7
177.12752	6.3
177.16377	24.2
179.14235	2.8
183.11682	13.5
184.12393	3.2
185.09464	3.1
185.13211	31.4
187.11156	3.3
187.14809	72.1
188.15179	3.4
189.12704	3.2
189.16347	25.1
191.10742	2.5
191.14221	3.9
191.17900	5.5
195.11760	2.9
197.13206	9.8
199.13112	4.5
199.14801	58.0
200.15256	3.1
201.16364	64.5
203.14319	11.8
203.17937	10.9
205.15868	70.9
207.17488	3.4
209.13235	3.4
211.14723	7.2
213.12898	3.1
213.16440	13.5
215.14314	9.4
215.17975	11.1
217.15794	7.3
219.13835	3.4
219.17435	23.6
223.16914	12.6
225.16348	4.6
227.17960	7.9
229.15807	5.1
231.13683	3.5
231.17401	6.7
233.15381	14.4
233.18964	4.8
237.16342	3.7
239.17903	3.8
241.19432	3.1
245.15337	13.0
247.16858	3.1
249.14873	4.8
253.19516	7.2
255.21167	3.0
259.16910	3.2
265.19489	3.3
301.21454	2.6
365.28314	3.1
387.30356	5.7
405.31540	37.5
407.32986	8.3
411.28687	2.7
416.49704	2.9
423.32721	22.2
433.31061	10.5
451.32184	29.8
469.33734	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3308
Annotation	Euscaphic Acid F
Peak:m/z	Relative Intensity
55.05501	3.7
57.07062	1.3
57.98809	0.5
67.05498	4.5
69.03425	0.7
69.07053	3.9
69.36316	0.6
70.76478	0.6
70.76830	1.9
71.04948	0.6
78.26933	0.5
79.05470	2.8
81.07043	7.2
83.04973	3.5
83.08595	2.0
87.04443	0.6
89.06012	0.8
91.05466	2.5
93.07044	6.7
95.04974	1.2
95.08593	17.5
98.20739	0.6
99.08053	0.6
105.07007	8.6
107.08579	10.6
109.06511	1.0
109.10122	5.4
114.84844	0.5
119.08568	15.5
121.06509	1.6
121.10134	8.4
123.08051	1.9
123.11703	2.3
125.09605	0.9
129.06993	1.0
131.08559	4.1
133.10110	9.0
135.08057	1.9
135.11652	6.3
137.09604	0.9
137.13246	0.8
139.07455	0.6
141.06952	0.9
143.08516	3.2
145.10115	7.2
147.08035	1.0
147.11673	6.6
149.09612	2.0
149.13231	3.1
151.11195	1.3
153.09160	1.3
155.08513	1.3
156.09192	0.7
157.10092	3.4
158.10896	0.5
159.08124	0.8
159.11690	4.5
161.09595	2.2
161.13272	3.1
163.11177	1.3
163.14853	1.7
165.12711	0.7
167.10658	0.6
169.10135	1.7
171.11716	2.4
173.09615	0.7
173.13266	4.1
175.11162	1.9
175.14792	8.8
177.12721	1.8
177.16370	1.8
179.14168	0.5
183.11694	1.7
185.13226	2.2
187.14812	6.5
189.12746	1.5
189.16365	12.9
189.18033	0.9
191.14291	1.3
191.17970	2.1
197.13191	2.7
199.14761	3.7
201.16400	2.1
203.14366	1.7
203.17969	0.7
205.15785	3.4
207.17456	1.9
211.14864	1.4
213.16368	1.3
215.14326	3.0
215.17802	1.3
217.15878	5.4
221.15315	0.9
225.16353	1.3
227.17870	1.5
227.20068	2.0
228.20389	1.3
229.15854	1.4
231.17470	1.0
233.15347	5.7
235.16960	2.0
239.17903	1.0
243.21098	0.7
253.19473	2.3
255.21147	1.2
265.19708	0.8
267.21292	0.8
271.20575	3.9
299.20090	1.1
357.24094	1.0
405.31561	4.5
423.27332	1.0
423.32590	13.3
424.32855	0.9
433.30850	0.9
451.32053	8.0
452.32458	0.6
469.33105	100.0
470.33380	7.9
480.96350	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3307
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03928	2.7
55.05497	19.1
65.03931	3.3
67.05485	16.5
69.07056	11.0
69.59447	21.2
79.05487	16.8
81.07041	58.3
82.80870	2.2
83.04963	100.0
83.08603	15.3
85.06517	2.7
85.58195	2.3
91.05458	23.1
91.91001	2.9
93.07032	43.0
95.04961	17.6
95.08001	4.0
95.08588	60.3
97.06477	4.5
97.10145	3.8
99.08060	9.6
103.05461	3.3
105.07007	61.8
106.07223	2.7
107.07825	3.3
107.08567	68.6
109.06487	11.1
109.10135	31.2
111.08086	5.8
117.06996	10.9
119.08557	87.2
121.10134	41.3
123.08041	11.2
123.11699	15.2
125.05965	2.9
125.09577	5.4
129.07030	6.2
130.07741	2.9
131.08543	50.9
133.09177	3.6
133.10121	49.0
135.11650	20.6
142.07733	5.1
143.08556	20.5
144.09280	5.6
145.10103	59.7
147.11653	49.7
149.09642	2.7
149.13240	16.5
155.08566	4.0
157.10109	26.0
158.10876	4.7
159.08066	3.2
159.11678	56.1
161.13229	40.1
163.07567	3.8
163.11099	3.2
163.14804	8.5
169.10149	8.4
170.10881	3.9
170.47551	2.7
171.11676	17.0
173.13219	38.7
175.11075	3.5
175.14813	23.9
177.12703	3.3
177.16367	11.4
183.11697	11.2
185.13214	34.3
187.14793	47.2
189.16362	14.5
191.14262	5.4
191.17877	4.0
197.13214	9.8
199.14803	32.8
201.16357	56.1
202.85994	2.6
203.14308	32.3
203.17932	4.7
205.15839	13.7
209.13220	5.6
211.14777	8.1
213.16362	15.9
215.14272	6.4
215.17917	4.2
217.15756	14.0
219.13750	3.3
219.17416	8.8
221.15410	4.2
223.14793	4.2
225.16313	5.4
227.17842	6.5
229.15916	4.6
229.19542	3.7
231.17461	7.7
233.15352	11.2
239.17902	6.4
241.19565	3.1
243.17255	3.5
245.15263	14.3
247.16881	5.0
249.14774	19.1
253.19385	5.1
255.21022	4.4
259.16925	9.6
259.20169	2.3
265.19479	4.9
283.20490	3.1
299.20016	4.7
327.23309	2.9
341.28436	5.7
347.27185	3.4
351.26913	3.1
355.26144	4.1
365.28262	5.5
369.28259	2.7
387.30063	5.2
393.27594	8.3
405.31451	37.8
411.28763	9.5
423.32358	21.5
433.30927	9.4
451.32114	22.6
452.32431	2.7
469.33212	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	469.3307
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03946	2.5
55.05502	19.4
57.07073	4.9
57.78120	1.6
59.04988	1.9
65.03927	2.1
67.05491	18.8
69.03400	1.8
69.07058	22.8
70.84213	6.1
71.08638	2.0
79.05484	16.3
81.07044	29.3
81.07483	2.9
83.04969	6.8
83.08619	12.4
85.06552	2.4
91.05456	23.7
92.45168	1.6
93.07027	41.4
95.04933	3.4
95.08590	58.2
97.06529	5.3
97.10154	4.4
99.08102	2.0
105.07012	52.0
107.04961	3.0
107.08578	67.5
109.06512	4.0
109.10133	37.0
111.08063	3.0
115.05506	1.8
117.07014	9.2
119.08566	100.0
120.08857	2.5
121.06495	2.7
121.10122	65.8
123.08066	5.6
123.11695	13.7
125.09657	3.0
128.06279	2.4
129.07002	6.4
130.07771	4.3
131.08551	33.7
133.10115	46.6
135.08064	4.3
135.11682	34.6
137.09602	3.2
137.13232	5.2
141.06938	3.2
142.07774	5.3
143.08562	18.4
143.33533	1.7
144.09317	3.8
145.10103	90.5
146.10628	2.0
147.11662	32.5
149.09625	5.9
149.13263	22.9
151.11099	4.1
155.08554	4.6
156.09328	6.6
157.10104	37.3
158.10866	5.7
159.11670	58.8
160.12051	2.0
161.13225	24.9
161.53996	1.7
163.07538	7.1
163.11166	20.8
163.14806	16.8
165.12737	4.0
169.10120	4.6
170.10922	4.9
171.11665	23.6
172.12477	3.0
173.13216	38.1
175.14795	27.8
177.12794	7.8
177.16379	26.4
183.11685	10.1
184.12418	3.6
185.13219	26.8
187.14798	69.2
188.15166	2.2
189.09132	1.8
189.12807	2.6
189.16348	24.7
191.14400	3.0
191.17888	8.6
195.13890	2.3
197.13295	7.4
199.14790	73.3
200.15173	2.9
201.16360	58.9
201.18146	3.0
202.16713	2.1
203.14349	3.4
203.17961	4.9
205.15858	96.0
206.16211	3.6
207.17439	3.9
209.13254	2.5
211.14754	4.9
213.16336	13.2
215.14304	5.0
215.17876	8.8
217.12170	2.2
217.15747	8.5
219.13969	1.9
219.17380	18.0
221.15512	2.1
223.14983	3.3
223.16898	17.3
225.16309	3.9
227.14316	2.9
227.17960	6.8
229.19501	2.0
231.13843	1.7
231.17427	2.2
233.15390	14.2
233.18985	5.7
237.16338	3.4
239.17915	3.6
245.15422	13.1
247.16998	3.2
249.33748	1.9
253.19499	5.9
255.21024	2.6
259.16904	2.6
267.21207	2.2
273.18356	3.0
295.65445	2.3
299.20050	2.7
377.31854	2.5
387.30371	3.5
389.32031	2.6
405.31503	31.0
406.31854	3.2
407.33237	7.0
423.32605	14.6
425.33887	5.2
433.30740	9.5
451.32059	31.4
452.32245	2.9
469.33322	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	469.3303
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.38347	2.2
53.03925	4.1
55.05503	16.2
64.90092	2.9
67.05489	19.1
68.35661	2.4
69.07047	11.8
79.05478	26.0
81.07044	35.0
83.04966	40.3
83.08582	5.6
91.05459	27.5
93.07021	53.0
95.04980	12.2
95.08588	50.3
97.06504	3.9
98.20647	5.8
99.08066	21.4
105.07005	83.4
107.08572	70.7
109.06490	7.8
109.10151	20.8
117.06992	9.2
119.08557	91.2
119.09415	5.7
119.29068	2.6
121.10114	36.8
123.08038	5.8
123.11695	8.5
125.05999	2.5
125.09602	2.7
128.06233	2.7
129.06946	8.4
130.07785	2.7
131.08543	62.2
133.09161	4.8
133.10110	54.7
134.10442	2.8
135.08009	5.3
135.11653	19.4
137.09593	2.6
142.07751	7.1
143.08536	16.9
144.09285	4.2
145.10098	67.1
147.11656	100.0
149.09586	3.6
149.13216	25.0
155.08514	4.2
156.09279	3.2
157.10101	30.2
158.10852	4.4
159.11655	55.4
159.12964	4.8
161.09624	3.7
161.13239	31.9
163.07440	3.3
163.14743	7.7
169.10118	7.2
170.10841	3.7
171.11642	14.3
172.12320	2.9
173.13225	33.5
175.11218	2.6
175.14813	25.0
177.12732	3.0
177.16321	17.6
183.11626	9.4
185.13216	23.7
187.14775	54.8
188.15179	3.6
189.16391	11.9
191.14233	5.6
197.13193	11.1
199.14748	24.1
201.16347	95.4
203.14268	26.8
203.17957	6.0
205.15863	31.3
211.14796	9.9
213.16264	12.9
215.14265	6.3
215.17877	4.9
217.15849	9.0
219.17422	19.8
221.15410	4.3
229.15785	6.1
231.17401	5.7
233.15419	4.6
237.16388	3.6
239.17908	4.0
241.19490	3.2
243.17386	4.8
245.15297	7.5
247.16936	5.0
249.14766	10.8
253.19505	2.9
259.16846	4.0
267.11826	2.5
267.21051	2.5
293.22516	4.8
331.59048	2.4
333.25537	3.6
341.28409	3.0
347.27036	4.1
351.26660	3.4
365.28351	11.6
387.30130	3.7
393.27798	9.0
405.31445	23.1
407.32788	3.2
411.28897	26.8
423.32462	25.4
433.30975	5.5
441.33685	2.7
451.32294	17.7
469.33148	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3306
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.85054	2.5
55.05503	20.1
57.07060	4.4
67.05500	19.6
69.03429	3.3
69.07061	17.0
69.40859	34.2
79.05490	18.4
81.07047	48.3
83.04970	28.3
83.08604	10.2
91.05459	28.9
93.07042	43.1
95.04969	10.6
95.08595	54.9
97.06516	4.4
98.21429	4.6
99.08104	7.3
105.07018	77.2
107.08578	69.4
109.06519	8.0
109.10141	32.1
111.08054	5.6
113.28556	3.3
117.07017	14.9
119.08572	100.0
121.10138	56.2
123.08055	8.2
123.11684	18.4
125.09619	6.9
129.06966	8.7
131.08556	44.3
133.10114	57.6
135.08044	3.0
135.11673	26.8
137.13254	4.2
142.07709	4.2
143.08525	24.2
144.09299	3.5
145.10109	67.8
147.11685	42.9
149.09583	5.0
149.13229	16.5
151.11130	4.4
155.08466	6.1
156.09325	5.1
157.10114	30.6
158.10925	3.5
159.11681	52.9
161.09587	3.4
161.13249	33.4
163.14821	11.7
165.12770	3.4
169.10071	5.2
169.48001	3.0
170.10919	6.2
171.11707	14.2
173.13225	33.8
175.14821	29.4
177.16373	9.7
183.11629	15.0
185.13249	48.3
187.14803	67.2
187.18576	3.1
189.16348	25.8
191.14310	12.1
191.17921	4.1
191.45828	3.1
193.04892	3.1
197.13258	9.0
199.14795	30.8
201.16357	54.0
203.14293	21.2
203.17943	13.8
205.15871	46.6
211.14864	5.7
213.16327	19.8
215.14340	5.3
215.17914	10.4
217.15837	13.4
219.17392	18.8
221.15416	6.5
223.14745	3.1
225.16359	7.2
227.17862	7.9
229.15894	4.1
229.19531	3.5
231.17503	5.4
239.17911	7.9
243.17461	13.8
245.15295	4.6
249.14850	11.1
253.19342	5.8
257.19189	3.2
261.14792	3.0
263.61874	3.1
265.19446	4.4
283.20630	3.5
291.20819	3.6
354.79688	3.4
387.30399	4.6
405.31540	28.1
407.33084	5.0
423.32507	34.1
424.32904	4.0
433.30960	5.8
439.31985	3.9
451.32037	14.1
469.33035	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.331
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03933	3.9
53.88512	2.5
55.05514	17.1
57.07075	3.7
67.05500	18.8
69.03398	3.7
69.07052	14.5
70.07249	16.4
71.08630	3.7
79.05481	21.3
81.03417	3.7
81.06608	3.8
81.07047	39.9
83.04973	36.7
83.08602	11.7
85.06533	5.1
91.05463	25.6
93.07034	48.9
95.04951	13.2
95.08596	60.3
95.53848	2.8
97.06539	4.5
99.08102	13.5
105.07022	73.1
107.08588	71.8
109.06500	8.0
109.10139	38.9
111.08082	5.7
117.06989	15.8
119.07735	5.5
119.08572	100.0
120.08822	3.4
121.09275	3.4
121.10131	50.4
123.08082	12.5
123.11713	13.7
125.09637	6.1
129.06969	5.4
130.07742	3.9
131.08554	52.9
131.43539	3.1
133.10115	54.4
135.08055	10.1
135.11687	22.3
137.05981	2.9
143.08585	18.7
144.09338	3.7
145.10101	71.3
146.10402	3.6
147.10559	5.6
147.11668	70.1
149.09674	3.6
149.13246	21.8
151.11201	5.1
155.08586	3.3
157.10103	28.2
158.10925	4.0
159.11667	55.5
161.09654	4.2
161.13235	43.8
163.07503	5.4
163.11183	7.0
163.14777	14.8
165.12877	3.6
169.10085	7.2
170.10852	4.4
171.11642	16.1
172.12263	3.3
173.13237	39.3
175.14832	31.2
177.12761	5.9
177.16385	18.5
183.11629	6.8
185.13264	29.8
187.14807	52.5
189.12747	4.0
189.16409	17.0
191.14302	5.9
191.17989	5.5
197.13246	9.4
199.14783	39.2
201.16374	75.8
203.14296	17.3
203.17967	16.8
205.15855	63.2
211.14804	6.6
213.16397	10.7
215.14317	5.6
215.17964	5.6
217.15820	15.4
219.17476	15.7
221.15410	5.4
223.16899	4.4
225.16414	3.9
227.17940	8.1
229.15805	4.9
231.13823	4.1
231.17332	6.2
233.15315	4.8
239.18011	3.2
241.19388	4.4
245.15324	11.7
247.16855	16.4
249.14755	6.9
255.20982	4.0
259.17014	3.2
263.16437	3.5
267.21014	3.4
347.27374	3.7
377.31952	3.7
387.30222	6.1
393.27716	4.8
405.31442	25.4
411.28824	12.3
423.32587	30.6
433.30994	8.1
451.31998	23.7
469.33261	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3306
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05508	18.1
57.07049	3.7
67.05498	22.3
69.07050	13.2
69.53293	6.9
69.53700	27.8
79.05480	20.9
81.07050	46.6
83.04514	6.8
83.04971	100.0
83.08597	10.3
91.05452	27.4
93.07032	47.8
95.04968	16.7
95.08596	71.8
99.08080	8.2
105.07021	70.5
107.08582	66.3
109.06487	9.2
109.10154	29.2
111.08050	3.4
114.50982	3.5
116.05072	3.5
116.06248	3.3
117.06982	5.7
119.08558	88.8
121.06422	4.9
121.10125	35.0
123.08038	14.3
123.11692	17.0
129.06996	7.1
131.08548	42.3
133.10115	49.3
135.11674	23.8
137.13254	4.8
143.08511	20.2
144.09369	4.9
145.10118	61.1
147.11661	63.8
149.09673	3.2
149.13228	19.7
151.11093	4.9
153.56407	3.0
155.08522	4.4
157.10095	28.2
159.11674	53.4
161.13191	39.5
163.14806	10.7
169.10085	5.1
170.10919	5.3
171.11658	22.2
173.13246	36.5
175.14822	28.5
177.16351	7.2
183.11649	4.4
185.13203	31.8
187.14792	49.4
189.16356	12.5
191.14243	5.8
191.17912	5.8
195.11737	3.7
197.13199	10.0
199.14804	34.9
201.12854	4.4
201.16364	52.7
203.14294	36.5
203.17911	4.8
205.15889	20.1
211.14749	7.3
213.16423	18.3
215.14313	7.2
215.17770	4.6
217.15825	13.3
219.17422	8.4
227.17690	4.9
231.13882	4.6
231.17380	9.8
233.15349	9.6
237.16306	4.2
239.18010	6.0
241.19572	4.0
245.15343	13.3
249.14806	20.4
253.19510	6.7
259.16895	9.1
265.19336	4.5
323.27249	4.2
327.26706	4.8
341.28284	6.0
347.27484	8.8
351.27112	3.9
387.30328	4.5
393.27682	9.7
405.31564	23.6
407.32715	4.5
411.28784	9.2
423.32391	18.2
433.30853	6.7
434.31415	3.7
451.31992	19.4
469.33124	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3307
Annotation	Euscaphic Acid F
Peak:m/z	Relative Intensity
53.89633	2.9
55.05503	7.3
67.05503	14.9
69.07059	17.3
69.40689	2.3
72.71423	2.0
79.05497	10.2
81.07049	27.2
83.04976	10.2
83.08614	6.8
89.32983	2.3
91.05464	15.8
93.07025	28.9
93.07500	2.3
95.04955	4.9
95.08595	39.9
97.06546	3.3
105.07025	30.4
107.08585	44.6
109.06503	4.4
109.10150	27.1
117.07022	10.7
119.08571	53.1
121.06551	4.4
121.10120	32.7
121.10944	2.5
123.08075	4.4
123.11707	12.8
125.06022	2.3
125.09607	2.7
129.07034	5.9
129.20418	2.1
131.08540	27.8
131.09276	2.1
133.10115	27.9
135.11664	20.2
137.09613	2.8
137.13110	2.1
141.06999	4.0
143.08566	12.7
144.09293	2.5
145.10112	33.1
147.11690	23.6
149.09694	2.5
149.13219	13.7
151.07515	2.7
151.11134	4.4
155.08498	4.4
156.09392	2.8
157.10114	22.7
159.11676	33.6
161.13225	18.7
163.11180	7.8
163.14828	12.9
169.10037	11.3
169.92657	2.4
171.11687	21.6
173.13255	25.4
175.14832	18.9
177.09201	2.9
177.12805	10.3
177.16422	8.8
183.11659	10.8
185.13191	12.2
187.14816	23.1
189.16463	8.7
191.14305	5.0
195.11752	6.6
195.13875	2.6
197.13300	8.5
199.14796	16.4
201.16327	25.0
203.14406	6.0
203.17998	5.6
205.15858	13.8
207.11743	2.3
209.13347	5.2
211.14842	9.8
213.16306	12.1
215.14394	3.4
215.18005	8.3
221.15358	3.5
223.14952	4.2
223.16997	7.7
225.16489	6.9
227.17934	13.3
229.19460	14.7
229.69841	2.3
231.17574	3.2
237.16486	2.9
238.17256	2.3
239.18008	7.7
241.19446	10.7
243.17650	2.6
245.15433	8.8
247.17014	8.5
253.19475	13.4
255.21100	12.0
259.17029	4.6
261.18555	3.1
265.19449	4.1
267.21170	9.7
271.16971	3.2
273.18491	5.9
275.20169	11.2
277.19666	3.8
281.22519	2.4
283.20654	3.4
285.18585	5.6
287.20160	5.4
291.21054	5.0
299.20071	8.1
301.21948	5.4
309.22241	4.7
313.21753	6.8
327.23224	6.9
335.23880	2.9
387.30551	13.8
405.31497	51.5
407.33429	2.7
423.32571	57.9
424.33313	4.4
433.30975	31.2
451.32108	37.0
469.33286	100.0
470.33685	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	469.3307
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03922	2.6
55.01870	2.5
55.05505	16.7
57.03438	1.5
57.07067	4.6
65.03944	2.1
67.05492	19.6
69.03407	6.7
69.07056	18.8
70.06564	2.7
71.04975	2.4
71.49692	3.1
79.05485	19.1
81.03408	3.4
81.07047	50.2
83.04974	24.5
83.08610	10.8
84.04465	1.8
85.02892	4.7
85.06511	3.6
91.05468	28.3
93.07033	47.2
93.07587	3.6
95.04928	10.3
95.08595	58.7
96.08903	2.0
97.02897	3.1
97.06498	5.3
97.10163	4.3
99.08071	4.2
103.30570	1.5
105.07013	67.0
107.04911	2.7
107.08578	65.9
109.02883	3.0
109.06502	11.6
109.10136	34.3
111.08069	4.7
115.05455	3.0
116.06211	2.5
117.06997	12.0
119.08567	100.0
120.08894	2.5
121.06477	2.3
121.10126	54.9
123.08060	9.9
123.11697	17.4
125.09626	6.2
127.03888	2.5
128.06190	2.9
129.06984	6.7
130.07791	4.8
131.08551	42.9
133.06537	1.8
133.10114	54.4
135.08066	4.2
135.11687	22.3
137.05948	2.2
137.09589	4.6
137.13251	2.9
139.07494	2.1
139.11180	3.0
141.07031	1.9
141.12711	2.0
142.07776	4.3
143.08539	20.9
144.09279	3.1
145.10103	61.5
146.10477	2.8
147.04408	2.1
147.11664	35.8
149.05962	2.5
149.09613	5.5
149.13235	14.3
151.07541	4.1
151.11174	7.9
153.09050	3.9
155.08519	6.5
156.09335	4.9
157.10107	25.2
158.10905	4.2
159.08066	2.6
159.11679	46.7
160.12128	1.8
161.09659	5.9
161.13226	24.5
163.03876	3.6
163.07495	6.1
163.11136	5.1
163.14842	11.0
165.12773	3.4
169.10159	8.6
170.10866	2.3
171.11684	17.1
172.12331	2.9
173.13234	37.8
175.11107	4.3
175.14798	30.7
177.12758	4.0
177.16389	9.3
179.03360	2.1
179.14313	2.0
181.10124	2.5
182.10822	2.7
183.11684	12.4
184.12358	2.3
185.13231	41.8
186.13724	2.8
187.11183	2.5
187.14789	48.8
188.15120	1.7
189.16359	23.9
191.14301	20.3
191.18001	4.9
197.13261	10.2
198.13831	2.4
199.14790	28.7
201.12759	2.6
201.16360	54.8
202.16699	2.2
203.14304	21.1
203.17897	10.5
205.15837	27.1
207.17294	2.2
209.13242	2.8
211.14838	8.0
213.16367	23.1
215.14323	4.6
215.17928	9.7
217.12343	2.1
217.15871	14.0
219.13966	3.2
219.17386	23.6
220.17705	1.8
221.15334	7.9
223.14915	2.4
223.17010	2.6
225.16365	4.8
227.17941	5.7
229.15846	4.6
229.19394	4.0
231.17418	7.6
233.15392	4.8
235.16986	1.9
237.16559	2.7
239.17987	4.9
241.19498	7.2
243.17426	6.5
245.15405	3.5
247.16908	6.8
249.14790	13.1
251.16217	2.4
253.19550	5.7
255.21049	2.9
257.18777	1.8
259.16898	4.1
259.20657	1.9
267.21045	3.2
273.18616	1.8
273.21906	2.1
283.20547	3.4
317.10107	2.2
387.30481	4.7
389.32635	2.3
405.31448	27.8
406.31308	2.3
407.33136	8.3
411.28546	2.1
423.32553	32.2
433.30951	7.4
439.31738	2.7
451.32330	16.1
464.15689	1.9
469.33344	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	470.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
56.05027	7.2
57.03420	1.8
69.03419	1.6
69.45353	6.5
70.06596	3.1
71.04987	1.4
73.83821	0.6
74.06066	100.0
81.03398	2.7
81.07059	0.6
82.75016	0.5
84.04485	3.5
85.02903	2.8
86.06055	1.7
86.09698	0.7
91.05490	1.3
95.04948	2.6
97.02877	2.8
98.06033	10.3
102.05527	5.3
109.02866	5.7
114.05537	0.6
116.07069	49.7
119.04932	1.1
120.06557	17.7
121.06480	0.7
123.04395	3.2
124.04755	1.3
127.03901	1.6
128.24022	0.6
140.04631	0.7
144.06532	52.4
145.04967	2.1
147.04404	2.7
155.07031	1.9
156.07391	0.7
162.07600	6.4
163.03848	3.3
177.05426	0.7
183.06526	3.3
184.06955	2.2
189.95032	0.6
228.08742	2.1
234.09697	0.7
240.08670	1.2
246.09628	2.9
264.10831	1.3
269.76791	0.5
270.09671	14.4
271.10782	0.6
271.66180	0.6
288.10724	6.4
290.14001	1.0
306.11838	2.1
309.01935	0.7
470.18610	0.7
470.25677	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.7
55.01868	1.3
55.05494	1.6
57.03422	4.9
59.04968	1.0
63.02349	0.9
69.03420	4.6
70.06570	3.7
71.01333	1.5
71.04611	2.1
71.04980	27.9
71.14440	3.0
72.08173	1.2
74.06068	1.5
75.04479	1.7
79.05443	1.5
81.03400	3.7
81.07014	1.0
83.04964	4.2
84.04474	2.0
85.02888	37.8
86.09725	2.2
87.04440	1.7
89.03894	5.7
91.05486	1.3
93.07014	1.1
95.04957	1.8
97.02893	5.6
99.04460	2.0
101.07139	1.8
103.09876	0.9
104.41878	0.9
104.61241	1.3
107.04932	2.9
107.08578	1.4
109.02873	2.2
110.05993	1.1
111.04406	2.6
117.03355	6.1
119.04928	1.6
123.04433	2.0
127.03890	3.5
129.05461	8.8
135.04399	18.7
136.07544	1.3
137.05980	1.7
138.05522	1.9
145.02820	11.0
145.04884	1.4
147.04376	8.7
149.05847	1.0
163.03880	100.0
164.04221	1.9
165.05429	1.0
166.08684	1.0
181.04968	1.5
273.07452	1.6
273.12228	1.6
291.08603	1.5
291.13437	2.9
307.07928	2.4
309.09729	2.2
325.09082	3.9
325.12668	1.0
471.14529	4.3
471.21609	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	471.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16557	0.4
53.03936	0.8
55.01864	1.1
55.05495	2.1
57.03183	0.7
57.03425	5.4
57.07055	0.9
59.04984	0.7
61.02903	1.1
63.02397	0.6
67.05504	2.8
69.03417	6.5
69.07034	1.2
70.06586	2.4
70.67159	1.1
71.01324	1.1
71.04982	25.8
72.08133	1.7
73.02889	1.5
75.04444	1.9
79.05477	2.8
81.03402	3.1
81.07040	3.2
82.28680	0.5
83.04980	4.6
84.08134	0.7
85.02894	34.6
85.06531	4.2
86.09697	2.6
87.04443	1.3
88.38303	0.5
89.03902	4.7
91.05458	3.3
92.34731	0.5
93.07037	2.4
95.04939	1.5
95.08582	1.8
97.02878	6.1
97.06511	0.5
99.04430	2.3
101.02383	0.6
101.05983	0.7
105.07048	2.8
105.07621	0.5
107.04948	2.7
107.08555	2.6
109.02869	2.2
111.04460	2.3
111.08066	0.8
115.08685	0.7
116.86452	0.5
117.03358	6.6
117.06981	0.5
119.04940	2.6
119.08592	2.7
121.06491	1.0
121.10108	1.1
123.04408	2.6
123.08028	0.7
123.11597	0.5
124.07541	0.9
125.06029	0.6
125.09628	0.7
127.03907	3.7
129.05452	7.1
129.06955	0.6
131.04886	0.9
131.08546	1.4
131.67320	0.5
133.09674	3.7
135.04401	15.3
135.08055	1.5
135.11633	0.8
137.05959	1.2
137.09561	0.7
141.12701	0.9
142.13065	0.9
145.02826	15.1
145.04866	1.1
145.06483	0.5
145.10092	1.6
147.04385	9.3
147.06480	1.0
147.07982	0.6
147.11668	0.8
149.05975	1.7
149.09628	1.1
151.03870	1.0
159.11742	0.7
159.13805	0.8
160.14168	0.5
161.05959	1.2
163.03880	100.0
163.11136	1.8
164.04149	1.4
164.07033	1.4
164.10698	1.0
165.05469	1.8
169.04922	0.6
173.13307	0.6
175.07518	0.6
177.05429	9.9
177.09029	0.9
181.04889	1.7
181.06131	1.7
183.11525	0.7
185.13231	0.6
189.12639	0.6
203.07101	0.9
207.03966	1.5
209.04420	0.7
217.04820	0.5
229.15648	0.7
273.07556	1.7
273.18478	0.9
291.08664	1.2
291.13376	1.2
291.19470	1.9
307.08145	2.2
309.09644	1.6
309.14331	1.5
309.20682	1.2
325.09067	3.4
339.10745	0.7
399.25281	1.1
453.30249	0.6
471.13538	0.8
471.20654	3.2
471.31238	0.9
492.81421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
54.51278	0.5
55.01833	0.8
55.05492	3.3
57.03426	4.2
59.04970	0.6
61.02911	0.6
65.03921	0.6
67.05489	3.3
69.03424	3.3
69.07063	3.2
71.01341	1.0
71.04978	24.1
71.09370	1.4
73.02889	1.3
75.04454	1.3
79.05479	4.4
80.05803	0.7
81.03402	2.7
81.07043	7.5
82.07366	1.3
83.04963	6.3
83.08572	1.8
85.02890	28.7
85.06496	0.6
87.04459	1.2
89.03885	6.0
91.05459	4.2
92.05788	1.1
93.07019	7.1
94.07357	1.3
95.04944	2.5
95.08593	7.8
96.08928	2.6
97.02879	4.0
99.04427	1.7
99.08069	1.2
105.07011	10.0
106.07320	3.2
107.04943	3.6
107.08575	8.7
108.08898	2.9
109.02864	1.0
109.06454	1.0
109.10137	4.3
110.10464	1.3
111.04404	2.2
115.05455	0.7
117.03352	7.6
117.07002	1.5
119.04893	1.2
119.08559	12.2
120.08923	4.2
121.06464	0.5
121.09334	0.9
121.10126	6.8
122.10437	2.8
123.04405	1.5
123.08014	1.0
123.11685	3.6
124.12041	0.6
125.09586	0.9
127.03889	1.9
129.05450	5.7
129.06956	0.7
131.08528	4.8
132.08871	2.8
133.10110	6.7
134.10478	3.1
135.04388	16.3
135.08005	1.0
135.11679	2.8
136.12018	0.6
137.05956	0.8
139.11217	0.8
142.07719	0.9
143.08475	1.7
144.08820	0.7
145.02824	11.5
145.10088	5.8
146.10442	2.9
147.04372	3.2
147.06505	1.3
147.08003	0.5
147.11659	4.4
148.11980	2.4
149.05956	1.0
149.13226	1.5
150.13580	0.8
151.07507	0.6
151.11168	1.3
156.09288	0.8
157.10086	3.6
158.10440	0.9
159.11729	3.7
160.11989	2.9
161.13225	1.8
162.13559	1.8
163.03874	100.0
163.14850	1.2
164.04179	1.2
165.05455	0.8
165.12701	0.9
169.04901	0.7
169.10101	0.6
171.11649	2.1
173.09688	0.8
173.13268	2.7
174.13567	2.0
175.14792	2.5
176.15152	1.5
177.05540	2.6
177.16393	1.0
181.04942	1.6
183.11703	0.9
185.13268	3.0
186.13542	2.8
187.14813	4.5
188.15117	3.2
189.16432	1.2
190.16730	1.9
191.14313	1.0
192.14568	0.7
199.14786	2.1
200.15154	1.1
201.16353	3.0
202.16711	3.1
203.14330	1.3
204.14682	0.9
205.15829	2.3
206.16193	2.6
209.15350	2.0
213.16292	1.6
214.16673	1.1
216.18205	0.7
217.15834	1.3
218.16125	1.3
220.17828	0.7
227.17957	0.7
243.17590	0.7
244.17717	0.6
245.18655	0.6
248.17393	0.7
250.15135	0.8
273.07559	0.7
307.08051	1.1
309.09546	1.2
325.09119	3.4
371.35788	0.6
389.31027	0.8
406.31604	2.0
407.32358	2.0
408.34085	0.6
424.32828	2.3
425.33694	3.0
452.32364	0.9
453.33423	2.8
470.33444	1.5
471.15051	1.2
471.34109	3.8
488.65921	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
53.74739	0.6
55.01874	0.8
55.05502	2.6
56.64635	0.7
57.03432	5.1
61.02904	1.0
67.05484	1.9
69.03412	5.4
70.06575	2.9
70.09884	2.8
71.01359	1.0
71.04984	24.4
72.08150	0.7
73.02901	1.5
75.04469	1.8
79.05473	1.9
80.58280	0.6
81.03404	4.9
81.07033	2.1
83.04949	2.8
84.08105	0.8
85.02896	36.7
85.06522	1.8
86.09671	1.4
87.04485	0.9
89.03902	7.4
91.05471	2.6
93.07027	1.4
95.04966	1.9
95.08586	1.0
97.02872	7.0
98.21434	0.8
99.04440	3.1
99.08100	0.8
103.03921	1.0
105.07015	1.5
107.04940	3.1
107.08585	1.5
107.29895	0.6
109.02852	2.6
109.06496	1.3
109.10150	0.8
111.04414	1.8
111.08035	0.8
117.03383	6.6
119.04918	2.1
119.08565	1.3
121.06502	1.2
121.10120	1.3
123.04391	2.0
123.11725	0.7
125.09583	0.7
127.03915	4.9
129.05481	7.5
133.10071	1.1
135.04401	19.1
136.07545	0.9
137.05890	1.5
137.09518	0.7
138.91669	0.7
139.11078	0.6
139.65428	0.7
145.02827	11.5
145.04874	1.2
145.10080	1.3
147.04402	7.9
147.06468	0.8
149.09592	0.7
151.54715	0.6
157.06497	0.8
159.11658	0.9
163.03883	100.0
163.11194	1.0
164.04205	1.2
165.05458	1.8
165.09084	0.8
177.05473	0.7
181.04964	2.3
201.05377	0.8
203.11546	0.8
233.15413	0.6
245.08083	0.7
273.07532	1.4
273.18546	0.8
291.08453	1.3
291.19534	1.0
307.08188	1.9
309.09644	1.1
309.20422	0.8
325.09070	3.2
326.09546	0.7
453.30988	0.8
471.21967	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	471.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01856	1.1
55.05499	3.8
57.03418	4.1
57.07073	0.8
61.02905	0.9
65.14768	0.5
65.15118	0.5
67.05484	3.3
69.03418	3.7
69.07040	2.2
70.06593	0.5
71.01327	0.6
71.04982	30.1
71.05377	1.5
71.70408	1.1
72.52265	0.6
73.02905	0.7
74.88128	0.6
75.04445	1.5
76.99052	0.5
79.05481	4.8
81.03397	2.1
81.07040	6.6
82.07360	0.7
83.04956	6.6
83.08596	1.7
84.05290	0.6
85.02891	32.9
85.06509	0.8
87.04434	1.4
89.03907	6.1
91.05468	4.4
93.07030	7.3
95.04945	2.1
95.08585	8.1
96.08874	0.7
97.02877	4.1
97.06478	1.2
99.04395	1.3
99.08093	1.1
103.05446	0.6
105.06438	0.7
105.07020	8.1
106.07330	1.0
107.04943	2.4
107.08575	10.9
108.08870	1.3
109.02852	1.3
109.06486	2.2
109.10130	5.2
111.04425	2.1
111.08086	0.8
116.42010	0.5
117.03351	7.7
117.06986	2.0
119.04948	1.4
119.08563	10.7
120.08881	1.6
121.06481	0.9
121.10121	7.5
122.10415	0.8
123.04433	1.0
123.08019	1.2
123.11663	2.5
125.05982	0.9
125.09604	0.8
127.03895	2.2
129.05467	7.3
129.06940	1.0
130.07771	0.8
131.08560	3.7
132.08917	0.8
133.10107	6.8
134.10435	1.0
135.03357	1.0
135.04387	15.6
135.08055	1.5
135.11641	3.5
137.05936	1.0
137.09534	1.4
143.08505	2.7
143.84682	0.8
145.02820	11.4
145.04895	0.6
145.10088	6.7
146.10439	1.1
147.04378	5.3
147.06410	1.0
147.08005	0.7
147.11664	6.2
148.12010	0.8
149.09592	1.0
149.13245	2.5
151.11150	0.8
155.08469	1.0
156.09293	0.7
157.10146	3.1
158.10515	0.6
159.11667	5.9
160.12083	1.1
161.09698	0.9
161.13280	3.6
162.13556	0.9
163.03877	100.0
163.11084	1.0
163.14758	2.7
164.04199	2.0
165.05458	1.3
165.09123	0.7
169.10049	0.8
171.07951	0.6
171.11639	2.6
173.13240	4.4
175.11174	0.7
175.14896	4.1
176.15143	0.7
177.05505	0.7
177.12746	0.9
177.16400	2.2
181.04922	1.6
183.11661	1.2
185.13225	2.5
187.14792	4.3
188.15218	1.0
189.12709	0.8
189.16367	3.4
191.14230	1.6
197.13350	0.6
199.14783	2.2
201.16391	6.0
202.16776	0.7
203.10603	0.7
203.14297	2.1
203.17923	2.1
205.15843	7.7
209.13303	0.8
209.15269	0.6
211.14748	0.7
213.16339	1.7
214.16795	0.8
217.15862	0.9
219.17381	0.7
225.16467	0.8
227.17879	1.2
237.16391	1.1
243.21410	0.6
245.19025	0.8
247.16957	0.7
273.07449	0.7
291.08725	1.2
291.19656	0.7
307.08121	1.6
309.09641	1.2
325.09116	4.3
407.33340	2.8
424.33200	1.0
425.33768	2.1
435.32846	1.0
452.32230	0.9
453.34222	3.0
470.33304	1.4
471.14697	0.7
471.31189	3.2
471.34521	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.31
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	2.3
53.03931	4.3
55.05491	12.3
57.03415	4.2
57.07063	5.1
58.97881	2.1
61.32372	2.2
64.78853	2.7
65.03934	3.5
67.05489	22.8
69.03416	16.1
69.07063	14.8
71.04984	18.9
71.49975	5.0
77.03876	2.6
79.05480	35.1
80.47514	2.2
81.02978	2.3
81.03381	12.1
81.06605	4.1
81.07043	44.4
83.04958	17.8
83.08595	5.4
83.94979	2.3
84.02792	2.1
85.02892	28.4
85.06515	14.1
87.04412	2.3
87.97046	2.4
89.03893	3.7
91.04917	3.6
91.05459	42.6
93.07026	65.8
95.04955	13.7
95.08591	45.5
97.02860	10.1
97.06499	9.8
99.04439	4.6
99.08073	41.4
105.07011	68.8
107.04950	3.8
107.08575	100.0
108.08843	2.9
109.02841	7.8
109.06509	14.5
109.10145	27.2
111.04407	3.8
111.08059	10.3
115.05414	4.0
117.03360	5.3
117.07018	16.5
119.04915	14.2
119.08560	99.7
121.06506	11.9
121.10120	34.4
123.04375	2.7
123.08035	10.4
123.11681	9.1
125.06017	3.1
125.09595	6.7
127.03887	8.9
127.07513	4.6
128.06190	6.9
129.05455	4.1
129.06966	12.4
130.07771	4.5
131.04773	2.5
131.07648	4.5
131.08548	59.8
133.10106	58.6
135.04408	11.6
135.08034	14.8
135.11655	14.8
137.05943	6.1
137.09555	8.3
137.13188	3.9
141.06969	5.3
142.07750	11.7
143.08539	33.7
144.09291	5.7
145.02814	10.1
145.04950	3.7
145.10100	55.0
147.04378	44.6
147.08018	8.2
147.11653	57.2
149.09604	9.2
149.13181	7.2
151.11139	3.5
153.12698	3.6
155.08553	11.1
156.09319	16.5
157.10104	52.6
157.11377	3.7
158.10873	6.1
159.08022	4.8
159.11670	45.7
161.09622	11.5
161.13197	24.0
163.03882	73.6
163.07446	3.1
163.11136	10.3
163.14792	9.5
164.04282	2.9
165.08983	2.8
165.12648	3.9
168.09413	2.8
169.10118	18.9
170.10864	6.5
171.11664	59.4
172.12187	2.3
173.09595	5.1
173.11858	4.2
173.13243	50.5
175.11154	4.9
175.14781	11.8
177.05457	2.5
177.12737	6.3
177.16306	3.7
179.08467	2.9
179.14348	2.5
180.09253	3.2
181.10094	5.8
182.10942	3.3
183.11647	18.5
184.12312	2.7
185.13217	29.0
186.13800	3.1
187.11154	6.6
187.14780	25.2
189.12694	11.0
189.16328	6.1
191.14307	12.0
195.11626	9.9
196.12480	3.4
197.13266	19.2
199.11128	3.3
199.14778	35.6
201.12677	4.4
201.16370	17.4
203.14297	6.2
203.18022	5.5
205.10211	3.5
205.15863	4.7
207.11676	5.7
208.12498	2.8
209.13194	10.0
211.14832	15.8
213.12741	4.9
213.16376	16.3
215.14276	5.1
215.17970	5.3
217.12305	6.8
217.15805	6.4
219.13756	3.2
219.17461	2.9
221.13277	5.7
222.66435	2.2
223.14709	7.9
223.16663	2.3
225.16318	7.2
227.17856	5.0
229.15913	4.2
229.19527	2.8
231.13693	3.2
231.17361	3.3
234.13985	3.7
235.13094	4.4
235.16925	2.3
237.16367	8.0
239.17906	7.4
241.15752	2.5
241.19394	2.5
243.17276	3.4
245.18904	2.9
249.16313	9.0
249.18588	2.6
251.17949	7.7
253.19450	5.1
255.17386	4.8
263.17932	2.8
267.17401	8.4
267.21002	2.5
269.19153	3.2
269.22217	2.7
271.20462	5.3
283.20242	2.7
285.18457	5.7
291.08640	3.2
295.16937	6.0
295.20190	2.9
313.17957	13.9
317.22559	5.9
323.23700	5.0
325.08972	3.0
331.19016	38.2
335.23560	4.6
363.23087	6.4
371.27216	3.3
381.24130	6.9
389.28296	13.5
391.29678	3.9
399.25256	88.1
400.25449	4.6
407.28799	17.1
409.30814	2.5
417.27823	8.1
425.30075	16.0
435.28726	11.8
453.29843	31.4
471.25284	3.4
471.30817	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.31
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	2.3
53.03931	4.3
55.05491	12.3
57.03415	4.2
57.07063	5.1
58.97881	2.1
61.32372	2.2
64.78853	2.7
65.03934	3.5
67.05489	22.8
69.03416	16.1
69.07063	14.8
71.04984	18.9
71.49975	5.0
77.03876	2.6
79.05480	35.1
80.47514	2.2
81.02978	2.3
81.03381	12.1
81.06605	4.1
81.07043	44.4
83.04958	17.8
83.08595	5.4
83.94979	2.3
84.02792	2.1
85.02892	28.4
85.06515	14.1
87.04412	2.3
87.97046	2.4
89.03893	3.7
91.04917	3.6
91.05459	42.6
93.07026	65.8
95.04955	13.7
95.08591	45.5
97.02860	10.1
97.06499	9.8
99.04439	4.6
99.08073	41.4
105.07011	68.8
107.04950	3.8
107.08575	100.0
108.08843	2.9
109.02841	7.8
109.06509	14.5
109.10145	27.2
111.04407	3.8
111.08059	10.3
115.05414	4.0
117.03360	5.3
117.07018	16.5
119.04915	14.2
119.08560	99.7
121.06506	11.9
121.10120	34.4
123.04375	2.7
123.08035	10.4
123.11681	9.1
125.06017	3.1
125.09595	6.7
127.03887	8.9
127.07513	4.6
128.06190	6.9
129.05455	4.1
129.06966	12.4
130.07771	4.5
131.04773	2.5
131.07648	4.5
131.08548	59.8
133.10106	58.6
135.04408	11.6
135.08034	14.8
135.11655	14.8
137.05943	6.1
137.09555	8.3
137.13188	3.9
141.06969	5.3
142.07750	11.7
143.08539	33.7
144.09291	5.7
145.02814	10.1
145.04950	3.7
145.10100	55.0
147.04378	44.6
147.08018	8.2
147.11653	57.2
149.09604	9.2
149.13181	7.2
151.11139	3.5
153.12698	3.6
155.08553	11.1
156.09319	16.5
157.10104	52.6
157.11377	3.7
158.10873	6.1
159.08022	4.8
159.11670	45.7
161.09622	11.5
161.13197	24.0
163.03882	73.6
163.07446	3.1
163.11136	10.3
163.14792	9.5
164.04282	2.9
165.08983	2.8
165.12648	3.9
168.09413	2.8
169.10118	18.9
170.10864	6.5
171.11664	59.4
172.12187	2.3
173.09595	5.1
173.11858	4.2
173.13243	50.5
175.11154	4.9
175.14781	11.8
177.05457	2.5
177.12737	6.3
177.16306	3.7
179.08467	2.9
179.14348	2.5
180.09253	3.2
181.10094	5.8
182.10942	3.3
183.11647	18.5
184.12312	2.7
185.13217	29.0
186.13800	3.1
187.11154	6.6
187.14780	25.2
189.12694	11.0
189.16328	6.1
191.14307	12.0
195.11626	9.9
196.12480	3.4
197.13266	19.2
199.11128	3.3
199.14778	35.6
201.12677	4.4
201.16370	17.4
203.14297	6.2
203.18022	5.5
205.10211	3.5
205.15863	4.7
207.11676	5.7
208.12498	2.8
209.13194	10.0
211.14832	15.8
213.12741	4.9
213.16376	16.3
215.14276	5.1
215.17970	5.3
217.12305	6.8
217.15805	6.4
219.13756	3.2
219.17461	2.9
221.13277	5.7
222.66435	2.2
223.14709	7.9
223.16663	2.3
225.16318	7.2
227.17856	5.0
229.15913	4.2
229.19527	2.8
231.13693	3.2
231.17361	3.3
234.13985	3.7
235.13094	4.4
235.16925	2.3
237.16367	8.0
239.17906	7.4
241.15752	2.5
241.19394	2.5
243.17276	3.4
245.18904	2.9
249.16313	9.0
249.18588	2.6
251.17949	7.7
253.19450	5.1
255.17386	4.8
263.17932	2.8
267.17401	8.4
267.21002	2.5
269.19153	3.2
269.22217	2.7
271.20462	5.3
283.20242	2.7
285.18457	5.7
291.08640	3.2
295.16937	6.0
295.20190	2.9
313.17957	13.9
317.22559	5.9
323.23700	5.0
325.08972	3.0
331.19016	38.2
335.23560	4.6
363.23087	6.4
371.27216	3.3
381.24130	6.9
389.28296	13.5
391.29678	3.9
399.25256	88.1
400.25449	4.6
407.28799	17.1
409.30814	2.5
417.27823	8.1
425.30075	16.0
435.28726	11.8
453.29843	31.4
471.25284	3.4
471.30817	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3463
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
51.06599	3.2
53.03927	3.3
55.05511	17.8
57.07053	5.6
64.70998	3.2
67.05495	27.5
69.07061	21.0
69.65405	29.8
75.68365	3.3
76.20285	3.4
79.05492	18.5
81.07047	43.0
81.31956	3.4
83.04968	6.3
83.08604	13.1
85.06509	3.4
91.05484	16.8
91.05988	3.1
91.19003	3.0
93.07040	39.2
95.04955	7.9
95.08604	78.8
97.10154	8.9
99.08065	3.4
105.07019	70.0
107.07906	5.6
107.08582	62.7
109.10155	37.1
111.07990	6.7
117.07017	7.7
117.93552	4.1
118.25799	3.2
119.08573	100.0
121.10141	43.3
123.08043	5.2
123.11718	15.2
125.09642	3.9
129.06973	5.1
131.08554	16.3
133.10127	48.4
134.98163	20.5
135.08035	7.7
135.11684	44.9
137.09599	3.8
137.13226	6.1
143.08556	4.0
145.10132	22.3
147.11674	37.4
149.09641	4.8
149.13228	13.5
157.10098	7.3
158.30885	4.2
159.11688	16.5
161.09633	4.3
161.13257	18.5
163.03850	3.8
163.14819	17.3
170.11017	3.2
171.11693	9.3
173.13242	19.6
175.14810	64.2
177.16414	15.5
185.13255	5.1
187.14758	19.8
189.16357	72.6
191.14272	4.3
191.17924	30.2
197.13173	4.3
199.14803	6.1
200.37328	3.3
201.16357	14.6
203.14314	9.8
203.17949	23.0
205.15900	19.4
207.17418	26.0
209.18982	6.3
213.16385	5.2
215.17960	15.6
217.15773	8.2
217.19427	4.5
219.17523	5.3
221.15349	34.0
229.19417	4.9
231.17511	5.2
233.18927	12.7
235.16913	51.4
245.19102	4.4
257.18976	4.4
271.20639	5.6
285.22232	4.5
331.22498	4.4
337.27264	5.1
389.31955	6.6
407.33041	21.0
425.34247	45.3
435.32565	6.4
453.33804	18.1
471.24677	12.5
471.34796	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3464
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
50.58907	3.5
55.05495	15.6
57.07067	5.3
66.71748	4.4
67.05505	27.1
69.03407	5.8
69.07046	22.2
69.66224	31.5
71.04961	3.9
75.10536	3.5
79.05467	21.7
81.07041	58.9
83.08602	8.9
91.05462	25.9
93.07027	63.9
95.04969	8.2
95.08590	100.0
96.08965	4.8
96.43204	3.6
97.06528	10.6
97.10160	6.3
105.07019	62.3
107.08572	87.7
109.06515	4.6
109.10143	53.4
111.08029	7.2
117.06995	13.9
119.08560	95.8
121.06475	3.8
121.10113	67.0
122.99947	3.8
123.08060	8.9
123.11729	18.1
125.09573	9.6
129.06996	9.3
131.08562	39.3
133.10110	73.6
135.08067	7.8
135.11662	41.6
137.09578	5.7
143.08536	14.2
145.10104	68.6
147.11673	37.9
149.09575	7.3
149.13196	20.4
151.03421	5.4
151.11133	10.2
156.09288	6.2
157.10069	11.5
159.11659	42.5
161.09608	5.0
161.13242	43.4
163.14818	13.6
171.11673	12.6
172.12367	5.9
172.76190	3.5
173.13232	45.8
175.14786	33.6
177.16394	17.4
179.14288	5.1
185.13307	11.2
186.13864	4.1
187.14796	59.5
189.16356	53.7
191.14276	61.7
191.17941	20.0
193.12357	4.4
193.15887	6.9
197.13153	6.6
199.14734	20.1
201.16386	61.8
203.14311	16.0
203.17929	60.6
205.15796	22.9
205.19537	10.4
207.17535	4.8
209.13049	5.4
213.16394	12.9
215.17938	22.4
217.15860	8.2
217.19553	5.2
219.17339	17.9
221.15350	45.1
229.19414	6.7
231.17487	5.6
233.18854	6.7
235.16908	11.7
237.16049	4.4
241.19531	6.3
247.16954	15.6
249.18507	9.8
261.18484	9.1
267.21103	4.1
281.22516	4.3
283.24066	7.5
292.19107	4.1
311.23688	7.8
329.24747	4.6
389.31778	12.2
407.33099	64.3
423.32132	6.4
425.34137	31.5
435.32822	22.6
438.09296	4.2
453.33484	16.8
471.34756	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	471.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68837	2.1
55.05498	8.6
55.08827	2.0
57.07057	3.5
67.05481	8.9
69.07047	13.0
70.33507	10.6
71.08643	2.2
79.05482	15.3
81.03396	6.2
81.07034	18.6
83.08617	6.7
91.05466	18.0
93.07028	25.5
95.04971	2.7
95.08582	27.8
97.37496	2.5
98.21334	2.7
99.08085	7.5
105.07009	32.0
107.04940	8.2
107.07912	3.5
107.08585	44.9
109.10152	16.9
110.02919	2.1
117.06963	5.3
118.88493	2.3
119.08555	58.5
121.10122	35.5
123.08064	2.7
123.11635	5.6
129.07001	3.0
131.08553	37.6
133.10106	32.3
135.08026	4.0
135.11670	23.4
137.09569	3.4
137.13274	2.6
143.08566	5.4
145.10101	37.6
147.11670	59.9
149.13206	11.3
157.10081	5.0
158.10815	2.5
159.11697	27.6
161.13208	11.8
163.11128	12.3
163.14799	8.6
170.10860	2.4
171.11688	6.9
173.13275	12.7
175.14778	18.3
177.12744	3.3
177.16347	21.9
185.13220	4.2
187.14774	52.0
187.16333	3.8
189.16373	19.4
191.17920	3.9
199.14839	5.4
201.16353	100.0
202.16525	2.2
203.17906	9.8
205.15849	81.0
207.17345	14.2
213.16399	5.2
215.14336	2.6
215.17990	6.1
219.17386	13.9
223.16956	8.6
227.17909	6.5
229.19485	2.8
247.16940	3.9
353.28479	3.1
389.31909	4.9
407.33051	31.4
425.34052	18.2
435.32346	4.8
453.33310	6.7
471.27255	2.9
471.34116	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3463
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
51.87642	3.9
53.80804	4.1
55.05499	11.9
67.05479	11.5
69.07056	13.1
69.33923	4.3
70.16298	12.6
70.16721	10.3
75.53783	3.8
79.05470	16.9
81.07040	27.7
83.08593	12.6
91.05463	15.0
93.07037	32.4
95.08604	47.6
97.06458	5.5
100.50265	4.0
101.16462	4.0
105.06998	38.7
107.08588	52.0
107.40756	3.8
109.10134	29.7
117.07015	7.7
119.08570	63.8
121.10132	56.5
123.11679	8.9
131.08540	31.5
133.10114	53.8
135.08023	4.3
135.11684	36.0
143.08534	6.2
145.10085	43.4
147.11668	48.3
149.13246	11.1
156.41269	3.8
157.02095	4.5
157.10042	9.1
159.11659	32.4
161.13223	16.4
163.11127	9.9
163.14818	15.5
171.11566	7.7
173.13199	22.7
175.14824	33.4
177.16318	38.0
185.13257	10.0
187.14763	49.0
189.16344	34.6
191.17941	10.5
199.14737	8.5
201.16350	100.0
202.16681	5.1
203.17928	20.6
205.15849	97.3
207.17387	9.3
213.16318	11.9
215.17964	10.0
217.15837	4.9
219.17290	19.9
223.17070	4.7
229.16010	7.0
229.19528	5.1
231.17493	4.3
233.18950	5.2
235.16908	6.1
241.19417	6.2
247.16917	15.4
249.18440	5.0
264.49579	4.6
285.10101	7.7
327.03146	4.9
368.90720	4.2
389.32141	5.6
407.33026	55.1
409.34540	6.8
425.33969	24.5
427.36279	4.3
435.32483	9.8
453.33691	6.8
471.34827	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	471.3462
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
55.05509	11.8
57.03421	2.9
57.07063	5.8
67.05492	16.1
69.07037	13.6
70.96759	3.0
70.97107	6.4
71.04962	3.6
79.05477	12.8
81.07040	28.9
81.97369	2.2
83.08582	6.8
91.05460	15.5
93.07027	23.1
95.08591	48.7
97.10140	4.9
98.98471	5.5
105.07011	33.0
107.08577	53.8
109.06485	3.2
109.10143	29.5
111.08067	4.4
117.06998	6.2
119.07732	5.3
119.08567	100.0
121.10126	41.6
123.08012	4.9
123.11681	12.9
130.07697	2.7
131.08539	19.1
133.10107	44.8
135.08040	3.5
135.11681	16.3
137.09654	2.8
143.08508	3.3
144.09372	3.8
145.10097	51.6
147.11655	30.5
149.13229	10.0
151.07515	3.6
155.00996	3.2
155.08403	2.6
157.10118	8.4
159.07980	2.7
159.11659	45.9
161.13242	21.0
163.07564	8.0
163.11143	11.1
163.12498	2.1
163.14790	17.0
171.11658	7.3
172.12495	2.4
173.09555	3.3
173.13252	25.7
175.14807	25.4
177.16386	25.1
179.14268	4.8
183.11588	4.0
185.13191	8.5
187.14801	45.2
189.16350	56.5
191.14339	2.6
191.17845	4.8
199.14842	14.6
201.16348	75.5
202.16685	3.2
203.14272	3.8
203.17920	21.5
205.15846	78.4
206.15985	2.5
207.17407	29.9
213.16336	5.4
215.14381	4.2
215.17902	8.8
219.17393	5.4
221.15434	2.8
223.16861	6.6
229.15840	5.5
229.19580	5.3
233.19037	3.3
241.19441	3.0
243.20869	4.7
247.16873	10.5
255.21021	3.7
257.22794	3.5
313.25333	3.1
334.56961	2.8
335.25601	3.2
354.60892	2.9
386.88120	2.4
389.31998	11.6
407.33063	89.4
408.33585	5.4
425.34113	52.5
435.32654	19.2
453.33453	6.6
471.24661	3.3
471.34607	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	471.3462
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
55.05490	14.0
57.03418	14.9
67.05480	30.7
69.07047	22.7
69.68301	16.3
69.68714	45.4
76.16119	7.6
79.05484	29.8
81.07056	43.0
83.08611	22.7
91.05451	27.0
91.70162	8.3
93.07012	61.6
95.08595	80.7
98.98443	21.4
105.07006	55.5
107.08576	68.9
107.84463	7.5
109.06545	13.2
109.10123	48.1
117.06983	13.5
119.08570	99.6
121.10134	58.9
123.11697	19.1
125.09629	9.8
131.08539	42.4
133.10118	78.3
135.11644	53.5
136.99948	17.0
143.08517	10.9
145.10101	69.1
147.11646	41.4
149.09668	9.2
149.13229	22.3
155.01010	28.4
157.10071	12.7
159.11652	56.7
160.10677	8.2
161.13274	39.3
163.14799	24.4
171.11670	16.4
173.13258	33.2
175.14806	28.8
177.12630	11.0
177.16365	18.3
185.13239	16.0
187.14819	63.0
189.16405	46.6
191.17867	18.4
199.14717	13.8
201.16368	100.0
203.14174	14.1
203.17941	37.9
205.15901	47.5
211.03720	10.5
213.16344	12.4
215.17950	24.1
219.17346	19.0
241.19597	8.9
243.21097	9.3
247.16946	45.8
320.73676	8.6
362.46313	8.4
389.32205	9.4
407.32968	39.8
425.34174	54.9
435.32654	15.1
453.33783	18.2
471.34726	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3464
Annotation	Lantic acid
Peak:m/z	Relative Intensity
53.03926	0.7
55.05490	2.7
56.44177	0.6
56.92347	0.5
63.88924	0.6
67.05502	2.6
69.07059	3.2
70.92883	1.2
79.05473	1.9
81.07050	6.0
83.04970	3.5
83.08611	1.7
91.05463	3.2
93.07023	6.9
95.04944	1.6
95.08590	9.7
97.06505	1.2
99.08081	0.6
105.07019	9.0
107.08572	10.8
109.06507	0.8
109.10119	5.7
111.08078	0.8
117.06940	0.6
119.08562	13.2
121.06475	0.7
121.10146	5.9
123.08050	1.1
123.11697	3.6
129.07022	0.9
131.08539	1.9
133.06496	0.6
133.10106	6.9
135.08028	1.1
135.11673	7.3
137.05984	0.6
137.13220	1.1
139.07533	0.5
141.07005	0.7
143.08528	1.4
145.10091	4.0
147.08064	0.6
147.11681	3.4
149.09566	1.0
149.13228	2.3
151.11183	0.8
153.09081	0.7
155.08475	0.7
157.10114	2.4
159.11736	3.2
161.09621	2.3
161.13263	3.3
163.11157	1.3
163.14815	1.6
169.10080	1.2
171.11700	1.9
173.09706	1.1
173.13232	3.5
175.11157	1.1
175.14784	8.5
177.16344	2.7
179.14203	0.6
183.11639	1.2
185.13287	1.3
187.14787	4.0
189.12798	0.7
189.16365	14.1
191.17885	2.0
197.13217	2.9
199.14751	3.9
201.16360	2.0
205.15814	1.0
207.17424	1.3
211.14748	1.6
213.16440	1.6
215.14307	2.9
215.17978	1.2
217.15839	8.6
223.16988	0.9
227.17896	1.4
229.15863	0.9
229.19492	1.4
231.17528	1.4
235.16859	5.3
237.66502	0.5
239.17992	0.7
243.21132	1.0
253.19539	2.2
255.20984	0.8
257.19016	0.8
271.20538	4.2
273.18649	0.6
285.22092	0.8
317.21170	1.2
339.74518	0.7
356.33316	0.5
389.32172	0.8
407.33054	2.5
425.34070	9.1
453.33582	1.5
471.34647	100.0
472.35028	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	471.3463
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
53.03922	3.3
55.05515	17.7
57.03423	2.9
57.07073	5.3
59.04996	4.1
67.05495	32.2
69.07057	30.6
69.50066	29.1
71.04981	3.1
79.05482	21.2
81.07048	47.5
83.04980	14.0
83.08614	14.0
85.06542	9.1
91.05457	22.5
93.07040	51.7
95.04961	8.7
95.08595	82.7
97.06531	8.5
97.10174	6.5
99.08085	3.8
105.07015	60.5
107.08582	83.5
109.06496	9.4
109.10146	52.0
110.68657	2.8
111.08101	7.1
117.07023	6.3
119.08563	85.4
121.10133	45.0
123.08072	7.9
123.11693	25.7
129.07021	3.9
131.08536	14.0
133.10118	46.2
134.98151	17.8
135.08051	11.2
135.11673	52.8
137.09636	7.8
137.13316	4.5
142.07770	2.6
143.08562	12.7
145.10115	29.1
147.11665	41.2
149.09590	3.7
149.13257	24.5
151.11195	3.9
155.08495	4.1
157.10098	14.4
158.79156	2.8
159.11685	20.5
161.09570	4.0
161.13264	23.2
163.11241	4.2
163.14799	17.3
163.42731	2.7
169.10103	5.5
171.11708	11.6
173.13237	18.2
175.11214	6.0
175.14798	43.5
177.12848	3.0
177.16354	19.9
183.11626	4.1
185.13280	11.1
185.30843	2.5
187.14738	22.6
189.16335	45.7
189.17799	3.8
191.14351	9.2
191.17880	26.0
193.15837	3.4
199.14832	7.3
201.16310	14.4
203.14391	10.9
203.17900	23.1
205.15875	29.6
207.17458	17.2
211.14781	5.6
213.16415	7.8
215.18063	5.2
217.15881	20.9
217.19522	11.9
219.17300	4.1
221.19017	4.9
225.16385	5.3
229.15952	4.0
229.19563	4.2
231.17473	8.7
233.19168	3.9
235.16908	20.3
239.18109	3.5
241.19603	4.2
243.21164	4.0
249.14836	7.3
255.21135	5.1
263.16415	13.8
285.22220	7.3
299.20157	3.7
303.20020	3.4
331.22803	4.7
337.27399	5.6
385.31125	3.2
389.32083	5.7
407.09729	3.3
407.33090	23.8
425.34174	30.3
426.34619	3.7
435.32587	10.8
436.33304	3.4
443.35153	5.5
453.33795	28.9
471.25034	21.3
471.34763	100.0
472.35031	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	471.3463
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
50.90104	2.7
55.01852	3.2
55.05494	14.7
57.07063	6.5
67.05484	13.5
69.07059	22.9
71.71065	5.9
76.30970	3.0
77.65303	3.2
79.05472	17.0
81.07046	32.3
83.08601	13.7
90.67934	2.9
91.05460	14.3
93.07030	33.7
95.08588	51.3
97.06489	3.3
97.10153	5.4
105.07014	35.2
107.04926	3.2
107.08582	59.1
109.06540	3.7
109.10160	32.2
111.08116	3.9
117.07004	6.3
119.08561	61.6
121.06470	6.0
121.10110	55.1
121.53090	3.1
123.08051	6.2
123.11683	10.2
125.09614	4.1
129.06972	4.1
131.08516	21.8
133.10101	47.6
134.98167	6.3
135.08020	6.1
135.11667	19.5
137.13257	6.0
143.08542	10.1
145.10104	38.2
147.06371	3.5
147.11646	29.4
149.09601	8.4
149.13220	11.4
149.14513	3.0
151.14706	3.8
153.09065	13.8
155.08600	4.1
157.10074	7.9
159.11726	14.7
161.13214	10.5
163.11186	6.8
163.14745	16.4
164.16170	3.7
167.10712	10.4
167.74088	3.4
171.11682	5.8
173.13219	13.0
175.14787	20.3
177.12679	5.0
177.16377	13.6
183.11658	5.3
185.13242	8.6
185.89316	3.5
187.14786	77.3
189.16350	33.0
191.14302	4.0
191.17880	10.6
199.14764	7.5
201.16370	43.4
203.17865	14.7
203.68443	3.4
205.15894	17.3
213.16406	6.0
215.17903	8.4
219.17395	9.1
225.16360	3.6
227.17780	5.7
229.16042	4.6
229.19507	6.0
231.17410	4.9
235.16911	7.9
237.18507	7.3
241.19629	4.3
246.48476	3.4
247.16931	10.1
261.18423	4.1
269.19012	3.8
269.22156	3.5
292.07742	3.4
329.24603	5.9
355.26501	4.1
389.31912	14.4
396.80161	3.9
407.32986	43.2
411.32739	3.3
425.34109	100.0
425.39923	6.4
426.34415	7.6
453.33423	9.7
471.25189	15.2
471.35019	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3464
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05495	12.4
57.07056	9.3
67.05487	25.7
69.07055	17.4
71.43953	3.9
79.05479	15.5
79.44203	2.5
81.07044	77.1
83.08583	6.9
86.06094	2.9
91.05469	9.3
93.07025	21.0
95.08591	100.0
105.07018	26.9
107.04923	3.3
107.08574	33.9
109.10143	48.6
109.89248	2.8
111.11681	3.9
117.06994	8.3
119.08570	49.8
120.08862	3.1
121.10117	32.4
123.11698	41.0
129.06992	4.4
131.08560	16.2
133.10110	29.2
135.11690	16.4
137.13228	43.8
143.08485	5.1
145.10101	37.1
147.11653	15.8
149.09665	4.3
149.13240	12.4
156.09248	3.3
157.10106	12.3
159.11678	23.3
161.13229	12.5
163.07565	3.7
163.14824	8.5
169.09985	5.1
171.11668	13.6
173.13235	13.9
175.14804	16.1
177.09108	4.8
177.16386	12.5
179.17921	10.0
180.90192	3.1
181.10068	3.9
185.13246	6.4
187.11108	3.1
187.14815	25.3
189.16322	14.6
191.17960	5.3
197.13185	3.3
199.14821	8.6
201.16364	24.5
203.17932	11.1
203.99083	3.3
205.15797	8.6
207.17377	4.1
211.14685	4.6
213.16423	16.1
215.17871	13.3
217.19495	5.5
219.17456	9.5
223.16925	5.2
227.17989	4.2
229.19513	4.4
231.17435	4.6
233.19014	3.5
235.16864	3.4
237.18437	3.4
241.19464	6.7
247.16946	11.5
257.15308	6.1
259.17035	14.9
261.18530	4.1
301.21396	3.7
313.21597	3.2
389.32028	4.2
407.32892	13.0
425.34204	20.3
435.32367	17.6
453.33887	13.3
471.34335	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	471.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	7.5
57.07065	2.7
67.05495	6.4
69.07047	8.7
69.55109	13.6
69.55526	3.4
71.04967	5.3
72.72934	1.7
79.05481	7.3
79.91559	1.4
81.07059	12.8
83.08607	4.4
85.02901	5.6
85.06519	2.3
90.30057	1.5
91.05459	13.8
93.07031	28.6
95.04946	3.0
95.08591	29.7
96.00423	1.5
99.08080	5.0
105.07023	32.5
107.08580	39.2
109.06493	2.1
109.10167	15.9
117.07014	4.8
117.83151	1.6
119.08561	50.4
120.54317	1.5
121.06443	1.9
121.10135	37.8
123.08074	2.4
123.11715	5.7
125.09566	2.7
129.06979	2.1
131.08559	33.0
133.10110	36.0
135.08031	2.8
135.11688	19.3
137.09598	2.2
143.08527	4.3
145.10109	33.4
147.11671	65.0
149.09579	3.3
149.13222	8.4
151.11176	3.2
157.10072	9.2
159.11676	25.1
161.13251	9.6
163.03915	15.2
163.11125	9.8
163.14828	7.3
164.04129	2.3
171.11617	5.0
173.13293	13.3
175.14796	22.0
177.12778	3.2
177.16377	23.4
185.13231	5.5
187.14798	52.9
188.15178	2.6
189.16359	17.8
191.17906	4.7
199.14853	3.7
201.16357	100.0
202.16672	2.5
203.14388	3.4
203.17938	7.5
205.15857	96.2
206.16156	3.4
207.17459	15.0
213.16399	4.2
215.17969	4.2
217.15919	3.8
219.17444	17.6
221.19304	1.9
223.16930	3.9
227.17992	3.8
229.19392	2.3
231.17383	2.2
233.19031	2.8
247.16849	4.0
353.28326	5.5
389.31973	3.2
407.33060	35.6
425.34253	19.0
435.32529	4.0
453.33643	7.8
471.35062	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57326	1.5
52.37217	1.5
53.03933	1.5
55.05506	7.5
57.03426	3.4
57.07061	2.5
67.05496	10.0
69.03389	1.9
69.07040	13.5
70.74846	3.8
70.75240	2.5
71.04983	10.8
79.03413	1.3
79.05478	12.1
81.03376	2.6
81.07048	20.9
83.04945	4.3
83.08607	7.4
85.02896	12.8
85.06559	2.4
89.03890	3.0
91.05460	17.0
91.24984	1.6
93.07021	24.4
95.04955	2.7
95.08590	34.2
97.06500	2.3
99.08075	4.1
101.58822	1.8
105.07013	35.3
107.04926	2.4
107.08581	42.7
109.06535	2.7
109.10152	14.1
111.08118	2.9
117.03357	4.3
117.07011	4.2
119.08561	53.4
121.10133	30.2
123.08049	3.1
123.11721	7.6
125.09547	2.6
128.63907	1.6
129.05479	3.3
129.06969	3.6
131.08545	33.1
133.10115	34.4
135.04384	9.0
135.08061	3.3
135.11690	19.4
137.09532	2.5
137.13202	1.7
143.08549	6.1
145.02798	6.5
145.10104	31.8
147.04349	2.2
147.11665	63.9
148.12000	3.0
149.09592	3.5
149.13275	9.0
157.10089	6.8
158.10866	2.1
159.11668	22.6
160.12088	1.7
161.13237	10.5
163.03880	47.2
163.07588	2.3
163.11168	10.7
163.14799	8.6
164.04213	3.9
169.10129	3.3
171.11665	6.5
172.12440	1.9
173.13228	12.6
175.11113	1.5
175.14777	25.3
177.12776	2.3
177.16380	28.6
185.13226	5.4
187.14793	42.6
189.16365	20.0
191.14220	2.0
191.17978	4.3
199.14755	5.3
201.16357	90.8
202.16632	3.1
203.14345	3.0
203.17909	6.3
205.15851	100.0
206.16313	2.6
207.17461	11.8
211.14758	2.4
213.16368	5.0
215.17903	3.7
217.12221	2.6
217.15822	3.7
219.17369	15.4
227.17847	1.7
231.17438	5.2
233.18845	2.4
245.18904	2.4
247.16904	3.8
249.18433	2.2
353.28244	7.4
389.31921	3.6
407.28412	1.9
407.33133	31.4
425.34116	20.6
435.32935	2.0
453.33389	6.7
471.25308	3.0
471.30280	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	471.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01858	1.8
55.05510	6.9
57.03429	3.8
57.07061	2.2
59.05001	1.3
67.05499	9.1
69.03445	5.4
69.07066	9.0
69.64721	9.9
71.04987	22.0
71.08634	1.1
75.04458	1.7
79.05491	10.3
81.03398	5.9
81.07049	19.4
83.04968	6.3
83.08604	6.2
85.02898	26.6
85.06517	3.1
86.09733	1.4
87.04478	1.1
89.03909	7.2
91.05467	16.9
93.07033	20.5
95.04970	3.4
95.08598	25.5
97.02884	5.2
97.06515	1.8
97.10143	1.6
99.04469	1.6
99.08092	5.0
104.10698	1.4
105.07024	26.9
107.04945	2.9
107.08584	33.1
107.13665	1.1
109.02875	1.9
109.06519	2.8
109.10145	16.6
111.04430	2.6
111.08086	2.6
112.03928	1.1
115.05431	1.2
117.03381	10.6
117.06982	5.9
119.04931	2.4
119.08562	38.7
119.09409	2.0
120.08907	2.3
121.06480	1.6
121.10127	26.5
123.08069	2.3
123.11684	5.7
125.09668	1.8
127.03904	2.5
129.05458	5.6
129.07007	2.4
131.04915	1.3
131.07637	2.2
131.08565	23.8
133.10106	27.5
135.04398	17.7
135.08061	3.7
135.11690	14.7
137.06006	3.0
137.09610	1.7
137.13293	1.5
137.82849	1.1
143.08580	7.4
143.82823	1.1
144.09340	1.2
145.02829	20.7
145.10117	24.0
146.03218	1.5
147.04417	9.7
147.11676	40.5
149.06003	1.7
149.09695	1.8
149.13246	5.7
151.07497	1.6
155.08522	1.1
156.09306	1.8
157.10097	7.6
158.10918	1.5
159.08032	1.4
159.11681	19.0
161.09576	1.8
161.13228	9.6
162.05489	2.8
163.03894	100.0
163.11147	7.3
163.14816	5.1
164.04245	5.6
169.10097	2.3
171.11702	6.5
172.12315	1.1
173.00558	1.1
173.13255	11.5
175.07660	1.0
175.11247	1.2
175.14813	14.7
177.05473	17.4
177.12849	2.6
177.16360	17.5
179.07060	2.2
181.04944	1.2
183.11668	1.5
185.13263	5.3
187.07516	1.4
187.14804	30.1
188.15157	2.0
189.09242	1.3
189.12715	1.3
189.16373	13.9
191.14340	2.1
191.17982	3.4
193.12192	1.2
197.13283	2.2
199.11244	1.3
199.14832	3.1
201.16374	60.9
202.16754	2.2
203.14301	2.0
203.17967	8.0
205.15865	60.4
206.16144	1.4
207.17484	5.4
213.16402	2.8
215.14455	2.1
215.17941	3.5
217.15889	1.9
217.19504	1.8
219.17393	7.5
223.13202	1.4
223.16809	1.7
225.16414	2.0
227.17847	2.5
231.10228	1.2
231.17551	2.1
247.16945	2.3
265.22031	1.1
277.10715	2.8
279.17868	1.1
307.08127	1.3
325.09225	3.5
353.28482	2.9
389.32059	1.6
407.33096	21.3
408.33798	1.4
425.34219	11.8
435.28223	1.7
453.33960	3.1
471.15250	1.6
471.25162	1.6
471.30603	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3472
Annotation	Liquiritic acid
Peak:m/z	Relative Intensity
53.03894	2.8
55.05500	12.4
57.03418	3.4
57.44367	2.8
67.05492	16.0
69.03387	3.0
69.07056	12.7
69.90991	17.7
71.04977	8.0
79.05479	13.6
81.03403	3.8
81.07050	35.3
82.07387	2.5
83.04964	4.5
83.08605	11.8
85.02898	8.7
85.06542	3.1
89.03891	2.9
91.05479	17.6
93.07024	30.6
95.04939	4.2
95.08591	46.4
97.02883	3.0
98.20744	3.0
99.08089	2.5
105.07013	35.4
106.07350	3.2
107.08575	57.2
108.08903	3.3
109.06536	4.2
109.10133	25.8
111.08064	3.7
117.07019	10.2
119.08567	61.9
120.08917	6.1
121.06444	3.2
121.09274	4.5
121.10118	45.2
123.08040	3.8
123.10844	2.4
123.11637	11.9
128.06252	3.1
129.07002	4.7
131.08542	26.7
132.08899	2.9
133.10104	33.7
134.10468	4.5
135.04419	3.7
135.08043	3.8
135.11667	19.4
142.07750	2.6
143.08556	7.7
144.08966	2.9
145.02837	3.8
145.10109	44.0
146.10503	3.2
147.11662	27.6
149.13232	15.8
155.08571	2.7
157.10095	8.3
159.11674	30.9
160.12117	3.3
161.13255	22.9
163.03880	31.2
163.11162	10.1
163.14803	10.9
165.09151	3.6
165.12712	3.0
169.10075	2.7
171.11665	7.3
172.12212	2.6
173.13274	20.3
174.13615	3.8
175.14825	27.5
177.16351	26.7
183.11649	4.3
185.13234	9.0
187.14809	37.8
188.15202	2.8
189.16418	26.6
191.10799	3.0
191.14308	6.0
191.17924	4.1
197.13335	3.7
199.14764	7.3
201.16377	50.7
202.16705	4.4
203.14317	4.0
203.17950	15.2
205.13933	5.4
205.15857	100.0
206.16298	4.2
207.17517	3.1
209.13405	3.0
211.14807	3.3
213.16324	3.9
215.14365	3.1
215.18013	4.2
217.15787	3.3
219.13829	3.5
219.17458	16.9
229.15878	4.0
231.17375	3.9
233.15309	3.9
233.19069	3.3
244.37738	3.1
247.16945	5.8
247.99300	2.4
255.04993	2.6
262.54971	2.5
265.18005	7.4
267.69119	2.4
389.31711	3.9
395.33066	9.2
407.33005	58.0
409.34283	6.1
423.32819	2.6
425.29477	3.1
425.34177	35.0
435.32281	5.2
453.33691	19.8
471.30072	7.8
471.34732	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	471.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.6
55.05500	12.1
57.07055	2.7
58.80347	2.0
62.99940	1.9
65.03916	2.5
67.05497	14.1
69.03433	2.6
69.07049	14.1
69.76266	15.4
71.04993	2.5
71.41022	1.8
79.05475	15.6
81.03397	3.9
81.07040	24.0
83.04969	5.3
83.08615	10.6
85.02892	1.9
85.06530	2.3
91.05467	19.5
93.07028	33.6
95.04942	7.0
95.08585	44.1
96.08895	2.2
97.06521	5.3
97.10143	2.8
99.08078	5.8
105.07009	45.4
107.04929	7.0
107.08569	56.9
109.06508	5.3
109.10130	24.1
111.08068	4.0
117.07007	4.5
119.08569	70.7
120.08916	3.4
121.10126	42.2
123.08079	3.3
123.11681	8.0
129.06964	5.7
131.08557	34.6
133.09180	3.2
133.10123	39.9
135.08026	5.2
135.11664	28.7
137.09572	2.9
137.13297	3.4
143.08542	7.9
145.10101	44.0
147.11659	76.5
148.12021	3.2
149.09628	5.4
149.13268	13.4
153.09039	2.4
157.10120	8.8
158.10779	2.4
159.11670	32.4
161.13249	15.8
163.03877	6.5
163.11159	8.0
163.14804	8.2
166.00156	2.0
169.10127	3.0
171.11705	11.6
172.12523	2.5
173.13222	20.3
175.11145	2.0
175.14807	27.6
177.12753	5.2
177.16376	30.5
183.11679	3.1
185.13228	9.0
187.14799	57.2
188.15141	2.9
189.16379	29.3
191.14293	2.2
191.17892	5.9
199.14781	8.7
201.16360	100.0
202.16640	6.2
203.17833	11.5
205.15848	96.8
206.16049	2.8
207.17429	10.8
211.14871	4.2
213.16338	9.2
215.17944	5.1
217.15846	3.9
217.19429	2.9
219.17395	12.8
223.16832	4.3
227.17863	4.1
229.19669	3.0
233.15262	2.8
233.18927	2.8
245.18861	3.0
247.16940	8.1
335.27048	2.3
353.28259	4.7
389.31848	3.2
407.33020	49.0
425.34149	25.5
435.32568	6.6
453.33984	10.1
471.30606	8.0
488.74826	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	473.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88834	0.9
53.03923	3.6
55.01858	1.8
56.43628	1.2
57.03431	2.8
61.02906	3.4
66.35489	1.0
69.03413	16.3
71.69776	1.8
72.81026	1.1
73.02879	1.6
79.05484	6.0
81.03413	8.0
85.02895	31.4
87.04450	1.5
91.03931	1.9
91.05466	10.1
93.07043	14.2
95.04942	6.9
97.02890	13.8
99.04429	4.6
103.05452	2.8
105.07026	30.3
106.07351	1.2
109.02853	5.6
121.06494	22.2
127.03909	10.8
131.04906	17.1
133.06476	70.8
143.04460	1.2
145.04924	7.1
145.06461	2.2
147.04384	4.3
149.05965	100.0
150.06317	1.6
163.17638	1.4
165.05472	2.2
167.07016	4.3
186.04243	1.4
210.67773	1.4
293.10364	5.8
293.14859	1.2
311.11249	5.1
345.13312	1.5
398.90891	1.3
473.16541	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	473.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.2
53.03933	7.4
55.01867	15.2
55.05501	42.8
57.03413	9.9
57.07055	3.6
59.04995	2.1
61.02904	5.5
61.17379	2.0
65.03927	5.2
67.05495	45.4
69.03419	31.0
69.07055	21.9
70.40014	9.2
71.04975	10.5
73.02893	3.3
79.05479	51.9
81.03404	23.9
81.07046	52.7
82.32539	2.3
83.04967	22.0
83.08607	27.0
85.02895	46.9
85.06520	6.6
85.38086	1.9
87.04449	4.2
91.05462	39.0
93.07028	49.1
95.04954	20.3
95.08598	39.0
95.67925	2.8
97.02876	17.9
97.06512	23.1
97.10146	29.9
99.04433	7.2
99.08073	7.3
103.05437	3.5
105.07011	37.7
107.04939	9.6
107.08575	98.1
109.02871	8.5
109.06476	12.2
109.10146	20.6
111.04429	6.5
111.08065	5.3
113.05984	7.9
115.05405	3.0
117.06992	10.9
119.08572	36.1
119.78983	2.0
121.02804	2.1
121.06538	10.0
121.10122	33.3
123.04436	3.6
123.08086	10.5
123.11687	10.7
124.36142	2.2
125.05989	6.3
125.09607	46.5
127.03907	12.0
128.06194	4.6
129.06982	5.9
131.04906	2.7
131.08553	28.2
133.06459	5.1
133.10092	22.4
135.08064	8.0
135.11679	14.3
137.06000	4.5
137.09592	3.5
137.13239	3.8
139.11171	7.6
141.06963	2.2
142.07726	2.5
143.08553	6.6
145.02887	2.6
145.04942	5.8
145.10120	25.1
147.04401	3.9
147.07999	7.8
147.11667	21.3
149.05946	6.8
149.09602	15.5
149.13237	8.4
151.11156	2.6
153.09140	4.8
153.12680	9.7
155.08516	3.6
157.06490	4.5
157.10095	8.6
159.08096	5.1
159.11665	16.3
161.09578	6.4
161.13222	9.7
163.03870	5.8
163.07497	5.2
163.11150	13.3
163.14833	3.4
165.09073	4.7
167.10678	6.7
169.10167	7.1
171.07948	2.6
171.11710	6.0
173.09714	2.2
173.13261	13.5
175.11142	5.2
175.14758	5.0
177.05463	2.4
177.12701	6.4
177.16383	2.9
180.09587	2.0
181.12282	7.0
182.01793	2.2
183.11681	5.6
185.09525	2.4
185.13226	5.9
187.11208	6.6
187.14775	12.5
189.09109	5.8
189.11212	25.4
189.12724	3.5
189.16438	3.7
191.10736	4.2
191.14314	7.9
193.12201	4.3
195.07997	2.7
197.13243	3.2
199.14766	4.0
201.12752	6.0
201.16333	6.1
203.10707	3.2
203.14293	6.8
203.17769	2.8
205.12244	8.5
205.15877	4.8
207.11829	2.5
207.13663	2.8
211.13174	5.0
213.16347	4.7
215.10699	2.7
215.14346	2.7
219.13794	5.4
223.13089	10.8
227.10916	2.3
227.17885	3.1
228.44887	2.7
229.12379	2.7
233.15341	3.8
239.18083	2.5
241.14494	2.3
247.13194	4.4
247.20560	2.2
251.16199	3.4
257.19003	8.8
275.17142	4.5
275.20029	69.0
283.16907	3.0
293.21051	100.0
294.21149	2.6
311.16403	3.0
311.22183	9.2
317.21198	3.2
363.19501	2.8
381.20575	8.9
391.30042	2.8
401.23209	2.4
409.30933	5.4
432.22974	2.2
437.30515	5.0
455.31451	7.3
473.25525	10.5
473.32462	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.8
55.01865	7.0
55.05504	22.5
57.03401	3.9
57.46322	1.1
65.03908	3.9
67.05495	55.3
68.94112	1.1
69.03394	5.4
69.07053	11.2
71.01315	1.5
71.04960	3.4
79.05482	76.1
81.03406	100.0
81.07044	46.3
83.04971	15.5
83.08183	1.9
83.08611	23.3
85.06506	3.0
88.93211	1.2
91.05468	65.9
93.07034	53.1
95.04954	40.7
95.08590	29.0
97.02840	3.5
97.06493	5.1
97.10130	4.5
99.04430	1.2
99.08064	10.6
103.05388	1.4
105.07015	49.3
106.07310	1.3
107.04939	14.1
107.07906	1.8
107.08569	20.1
109.06481	9.6
109.10149	10.8
111.04413	1.8
111.08062	10.1
113.05962	2.1
115.05367	3.4
117.07008	14.0
119.04902	1.6
119.08575	37.4
121.06446	5.4
121.10135	15.9
123.08060	7.4
123.11644	2.6
125.09557	3.2
127.07534	6.5
128.06151	4.0
129.06992	26.9
131.07686	1.2
131.08553	19.2
133.06514	6.0
133.10106	17.7
135.07977	4.2
135.11650	5.7
137.09543	3.7
141.06941	2.9
141.09052	1.1
142.07722	4.7
143.08557	10.0
145.06419	4.1
145.10110	18.1
147.08043	7.2
147.10599	2.1
147.11664	31.4
148.12007	1.2
149.09570	7.3
149.13237	2.1
155.08446	2.9
156.09258	2.1
157.06441	1.7
157.10121	11.3
159.07968	4.0
159.11633	7.2
161.09602	8.0
161.13251	9.9
163.11078	2.9
165.09050	4.4
165.12659	2.3
167.08524	2.3
169.10040	2.9
171.07945	2.3
171.11658	22.9
173.09531	1.4
173.13199	3.7
175.11197	10.4
175.14709	1.6
177.09091	2.0
177.16252	2.3
181.09958	1.4
183.11583	1.4
185.13136	2.8
187.11093	1.3
187.14868	7.4
189.09102	2.3
189.11208	1.3
189.12723	9.8
189.16376	2.1
191.14276	1.3
193.10567	1.9
193.12216	30.2
193.15791	1.3
195.11647	1.6
199.11143	1.4
201.12671	1.8
201.16389	1.6
203.14264	2.6
205.12196	1.7
205.15791	3.6
207.13759	16.9
209.13229	1.3
209.31410	1.2
211.14767	1.6
213.12730	2.0
218.98048	1.1
219.13635	1.4
225.14769	1.9
229.15794	2.0
231.13612	3.2
233.15253	3.2
249.14687	5.4
251.16428	2.9
363.23053	2.4
381.19833	1.6
381.24026	4.5
399.25259	2.5
419.29123	2.0
437.30264	3.6
455.32016	8.0
473.28644	65.6
474.29092	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84953	0.9
51.02355	2.3
53.03939	8.6
55.01858	5.6
55.05236	1.1
55.05500	20.9
57.03405	3.8
65.03915	3.9
67.05492	55.6
69.03404	2.3
69.07055	10.8
71.04963	3.5
73.06523	1.7
77.03924	0.9
79.05480	71.0
81.03403	100.0
81.07043	42.8
83.04964	12.7
83.08600	24.7
85.02855	1.2
85.06494	2.1
85.50893	0.9
87.60661	0.8
91.05463	67.1
93.07026	49.5
95.04953	41.6
95.08591	28.4
97.02864	3.9
97.06520	5.4
97.10148	5.0
99.08038	1.1
103.05458	1.7
105.04505	1.3
105.07008	48.2
107.04933	12.2
107.08578	16.9
109.06506	7.8
109.10136	6.5
111.04408	1.8
111.08067	7.9
115.05429	2.1
117.07002	9.2
119.04913	1.0
119.07730	1.8
119.08558	32.2
121.06479	5.2
121.10117	8.6
123.08040	6.4
123.11642	1.1
125.09581	2.2
127.07507	1.7
128.06186	2.5
129.06981	25.6
130.07849	1.2
131.08546	12.9
133.06458	4.4
133.10101	12.3
135.08028	2.0
135.11661	2.4
137.09573	2.6
141.06903	2.1
142.07767	3.7
143.08539	9.7
145.06451	2.9
145.10103	9.3
147.08006	5.8
147.11667	33.4
149.09557	4.6
149.15501	0.8
155.08472	1.8
156.09221	1.5
157.06439	1.1
157.10098	9.4
159.08055	2.4
159.11652	3.1
161.09561	3.1
161.13219	9.3
163.11058	1.5
165.12752	1.9
167.08571	1.0
169.10118	2.0
171.07976	1.1
171.11646	23.3
173.13225	1.3
175.11162	8.7
185.13268	1.5
187.14796	1.5
189.11334	1.1
189.12735	8.6
193.12204	28.4
203.14079	1.0
205.15849	1.6
207.13773	20.9
213.12730	2.2
217.12187	2.9
225.14754	2.7
229.15813	1.6
249.14845	4.2
333.54810	1.0
363.23093	3.3
381.24167	2.6
399.25150	2.4
473.28772	69.1
474.29272	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01566	1.1
51.02372	1.3
53.03945	8.8
55.01853	5.1
55.05507	22.5
57.03425	3.8
65.03922	3.6
67.05499	50.0
69.03400	3.8
69.07053	11.2
71.04967	3.9
73.06537	1.6
79.05486	62.9
81.03412	100.0
81.07047	41.7
83.04972	12.5
83.08609	21.0
85.06522	3.3
91.05471	57.9
93.07033	51.8
95.04961	43.0
95.08598	26.6
97.02869	2.9
97.06505	4.2
97.10141	5.7
98.20648	2.4
99.08096	2.3
103.05456	1.6
105.04528	2.0
105.07017	43.2
107.04960	10.5
107.08587	17.8
109.06520	7.3
109.10152	5.3
111.08086	7.8
115.05431	3.6
117.06388	1.0
117.07016	11.3
119.04935	1.6
119.08566	30.7
121.06514	5.5
121.10127	8.4
123.08041	5.1
123.11711	2.9
125.09572	1.2
127.07522	1.5
128.06177	3.0
129.06992	24.6
130.07718	1.4
131.08553	13.9
133.06456	3.1
133.10135	14.9
135.04408	1.2
135.08049	2.8
135.11667	2.9
137.09576	2.2
141.07004	2.5
142.07768	3.3
142.15858	1.2
143.08575	8.5
145.06454	2.1
145.10103	11.2
147.08009	4.6
147.11678	28.8
149.09583	5.0
155.08521	1.4
157.10129	10.8
159.08051	1.8
159.11667	3.3
161.09583	2.7
161.13260	9.8
163.11174	1.8
165.12698	2.0
171.07947	1.5
171.11670	21.5
173.13281	2.0
175.11171	8.0
185.13179	1.7
189.12749	9.5
193.12215	30.6
201.16364	1.3
205.15854	1.2
207.13777	21.5
213.12709	1.3
225.14789	2.0
229.15837	1.5
229.68529	1.7
231.13899	1.4
249.14719	6.5
316.28766	1.2
363.23206	2.2
381.24185	2.6
399.25031	2.2
455.27127	2.1
473.28806	66.7
474.29233	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.8
55.05506	17.1
56.56424	2.6
57.03429	3.3
58.12954	3.2
61.09481	2.8
62.26566	2.8
65.03917	4.1
67.05498	25.2
67.69745	2.4
69.03419	6.0
69.07060	19.6
69.99647	5.4
70.00057	11.7
71.04984	6.4
71.57015	2.5
72.19270	3.0
73.96361	2.7
79.05487	16.5
81.03399	8.8
81.07040	37.8
83.08601	11.2
85.02894	8.5
85.06522	9.2
86.09718	3.3
91.05460	32.8
93.07034	47.5
95.04951	8.3
95.08599	43.4
97.02865	4.4
97.06499	5.4
98.20673	3.1
99.08110	4.2
105.07012	49.2
107.08582	54.6
109.06487	10.4
109.10134	38.1
111.08028	6.0
115.05360	3.3
117.06992	9.6
119.08571	100.0
120.08054	3.0
120.08902	3.2
121.06471	6.2
121.10130	53.9
123.08052	6.7
123.11687	15.9
125.09565	7.6
129.06984	8.3
131.08557	44.0
133.10112	44.8
135.08002	16.9
135.11673	27.7
137.05946	6.2
137.09598	8.9
142.07770	3.0
143.08530	17.3
144.09294	5.0
145.10104	43.2
147.11674	27.7
149.02325	3.7
149.05865	4.4
149.09593	13.4
149.13249	16.7
151.07512	6.9
156.09335	4.3
157.10143	22.9
159.11656	28.9
161.09644	7.0
161.13254	29.7
163.03842	7.8
163.11153	6.1
163.14761	16.1
165.09106	4.2
165.12738	5.8
166.08604	11.6
167.10616	4.7
169.10075	6.2
170.10840	3.5
171.11644	11.9
173.13237	37.6
175.07587	4.2
175.14818	31.2
177.12708	8.9
177.16393	12.9
179.14285	3.9
183.11717	10.3
185.13219	44.6
187.14803	39.2
189.12706	4.8
189.16316	16.5
191.14256	22.0
193.15843	8.0
195.11694	4.4
195.13853	3.6
197.13309	4.3
199.14804	27.3
200.15268	3.2
201.12668	4.6
201.16354	38.1
203.14349	25.5
203.17899	4.2
205.15886	25.5
207.13727	7.5
209.13319	3.0
211.14772	7.1
213.16351	12.9
215.14264	6.7
217.12328	3.3
217.15874	13.9
219.13857	5.1
219.17400	6.2
221.15355	5.0
223.16939	3.6
227.17969	7.2
229.15897	4.0
233.15419	5.6
239.18079	4.3
245.15269	7.1
247.16895	10.9
249.14804	27.5
259.16858	9.5
261.14865	7.4
263.16330	10.8
273.18469	3.7
299.20087	3.9
310.12921	4.9
371.25839	5.0
385.12787	3.8
391.29962	24.6
392.29837	4.0
399.28754	3.4
409.30948	39.7
419.29349	11.7
427.31897	17.1
437.30368	22.8
455.31497	23.4
473.20654	4.6
473.26880	16.4
473.32599	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	14.1
57.03423	4.0
57.07072	3.6
57.76338	2.8
67.05484	27.8
69.03420	7.4
69.07056	20.3
69.67902	25.3
71.04948	3.1
75.42404	3.9
79.05083	3.1
79.05466	17.8
81.03407	5.4
81.07048	36.5
83.04945	5.4
83.08595	10.4
85.02877	4.5
85.06526	12.2
86.43191	3.0
91.05465	28.9
91.29583	2.9
93.07031	52.0
95.04941	8.7
95.08015	3.8
95.08591	55.2
97.02925	3.1
97.10142	4.1
98.20742	5.7
99.08084	3.3
105.07025	52.2
107.04907	3.9
107.08580	62.7
109.06486	11.8
109.10132	31.8
111.08062	9.0
112.56946	3.4
117.06989	9.0
119.08564	100.0
119.19164	3.0
121.06490	4.1
121.10134	53.7
123.08025	9.6
123.11684	12.0
125.09570	6.1
127.03883	3.8
128.06155	3.4
129.06978	4.7
131.08536	33.6
133.10104	41.6
135.08028	14.0
135.11679	34.4
137.05963	4.2
137.09630	9.6
137.13261	7.2
142.07791	4.4
143.08553	19.5
143.09479	3.3
144.09291	4.8
145.10095	50.9
147.07986	5.5
147.11681	29.8
149.09624	7.2
149.13260	18.2
150.71518	2.7
151.07576	2.9
151.11078	3.3
153.09081	4.0
155.08540	7.3
157.10101	17.7
158.10887	5.2
159.07964	3.9
159.11664	35.1
161.09625	5.8
161.13260	27.9
163.11063	3.6
163.14806	15.2
169.10098	5.6
170.10884	4.8
171.11656	11.3
173.13246	37.4
175.11168	3.3
175.14809	35.3
177.12744	9.6
177.16389	14.7
179.14262	4.5
183.11658	6.7
184.12289	4.1
185.13217	49.1
187.14780	45.8
189.12711	6.9
189.16371	14.3
191.14244	22.2
193.15877	4.2
199.14793	20.6
201.12732	6.5
201.16350	50.4
203.14294	23.5
203.17966	6.7
205.15877	21.1
209.15367	4.7
211.14719	4.2
213.16354	13.0
215.17957	5.3
217.15826	15.6
219.13780	4.2
219.17421	8.3
221.13268	4.1
221.15308	3.4
223.16757	3.6
225.16370	4.9
227.17902	5.5
229.15878	5.5
231.17436	7.1
233.15416	6.7
239.18008	4.3
241.19551	4.4
245.15385	11.5
247.16956	9.0
249.14835	32.1
253.19588	7.2
259.16937	8.8
261.14825	4.5
263.16339	10.7
273.18481	5.8
291.80927	3.2
313.21756	3.3
371.25766	6.0
373.28738	11.0
391.29703	21.4
409.30881	34.7
419.29257	10.2
427.31903	18.3
437.30261	20.4
455.31406	21.8
473.26773	6.2
473.32654	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.05503	15.5
56.63029	2.3
57.03438	3.3
65.03947	2.1
67.05505	14.2
69.03428	7.9
69.07058	11.3
71.04964	4.2
79.05475	19.6
81.03414	3.7
81.07036	31.9
83.04962	5.9
83.08599	8.8
85.02885	7.2
85.06520	7.9
85.61087	2.1
91.05468	26.5
93.07029	44.2
95.04952	5.1
95.08590	47.7
97.02881	5.0
97.06522	4.6
97.10170	2.8
99.08088	18.0
100.11225	2.6
103.05460	3.2
105.07019	57.3
107.04964	2.3
107.08579	60.8
109.02860	3.7
109.06519	7.9
109.10140	23.1
110.10438	2.4
111.08080	6.6
117.07018	7.1
119.08566	100.0
120.08846	2.6
121.06493	7.2
121.10135	48.9
123.08071	6.7
123.11695	10.9
125.09560	2.4
127.03911	3.0
128.06171	3.2
129.07014	6.3
131.08545	42.1
133.10117	39.8
135.08031	9.8
135.11665	22.0
137.05962	3.2
137.09564	4.1
137.13211	4.0
141.06993	2.4
142.07748	2.8
143.08549	17.6
144.09274	3.8
145.10106	52.4
147.08009	6.6
147.11662	42.7
149.05940	3.2
149.09637	8.2
149.13226	11.6
153.09131	2.7
155.08530	4.5
156.09315	4.2
157.10130	20.2
158.10829	3.5
159.11681	36.3
161.09602	9.2
161.13235	33.3
163.03885	5.9
163.07584	2.3
163.11171	6.1
163.14801	12.0
169.10120	9.3
170.10826	5.2
171.11670	15.6
172.67421	2.1
173.09630	5.5
173.13235	40.0
175.11232	4.3
175.14821	26.1
177.12735	4.9
177.16383	9.5
179.14281	4.3
183.11694	8.9
184.12546	2.6
185.13226	32.7
187.14807	54.0
189.12778	11.2
189.16383	7.9
191.14304	18.1
193.15891	2.5
195.11670	2.5
197.13231	7.7
199.14824	32.2
201.12706	4.6
201.16370	36.8
203.14247	22.4
203.17943	4.7
205.15799	14.1
205.19720	2.1
207.11842	2.8
207.13792	5.8
209.15276	2.6
211.14856	8.2
213.16437	15.6
215.14336	7.9
215.17914	4.0
217.15889	7.1
219.17397	5.3
221.15404	4.1
223.14836	2.3
223.16869	4.5
225.16394	4.6
227.10555	2.2
227.17854	7.1
229.15906	3.3
231.17500	2.6
233.15334	6.1
239.17928	2.6
241.19469	3.4
243.13972	2.3
245.15334	8.1
245.19109	3.2
246.80414	2.1
247.16956	4.7
249.14769	17.1
253.19524	4.6
259.16916	9.0
267.21054	2.5
273.18454	4.3
285.42166	2.3
307.24112	2.9
343.25800	3.0
373.28842	6.3
381.27637	3.9
391.29935	27.5
401.28519	2.6
409.31000	36.0
410.31580	3.3
419.29495	13.6
427.31989	9.7
437.30432	16.7
455.31442	22.2
472.81805	24.4
473.26251	15.4
473.32999	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	473.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63206	2.6
55.05495	11.7
67.05492	20.9
69.03419	4.6
69.05100	2.9
69.07063	18.4
69.69565	23.3
79.05482	19.2
81.07047	31.5
83.08599	5.9
85.02901	3.7
85.06538	4.8
86.09689	45.6
91.05469	22.1
93.07034	40.7
95.04944	3.9
95.08595	37.1
97.06491	4.9
99.08089	19.0
105.07023	47.2
107.08582	66.4
107.98503	2.8
109.06500	8.9
109.10156	33.4
111.08141	3.3
117.06999	11.8
119.08563	100.0
120.08937	4.1
121.06497	9.4
121.10138	43.3
123.08053	9.2
123.11674	9.9
125.09658	3.1
127.07510	3.9
129.06958	6.5
131.08548	49.8
131.09464	4.5
133.09166	4.6
133.10115	46.6
135.08037	11.3
135.11690	27.4
137.06007	4.6
137.09619	4.7
142.07736	5.5
143.08586	17.3
145.10117	53.0
146.11743	6.2
147.08040	8.1
147.11665	49.4
149.09602	11.3
149.13220	10.7
151.11221	3.9
155.08472	7.2
156.09358	6.1
157.10121	23.2
158.10875	4.2
159.11696	33.4
161.09613	8.3
161.13268	38.4
163.11125	4.5
163.14803	17.0
165.09064	2.8
168.09448	3.0
169.10080	7.8
170.10866	6.8
171.11674	18.2
173.13240	35.1
175.11143	3.4
175.14799	35.4
177.12743	7.0
177.16371	10.2
179.14326	7.6
183.11682	12.1
185.13239	33.2
187.07440	3.8
187.11218	4.3
187.14810	57.4
189.12776	10.5
189.16420	9.5
191.14339	24.3
195.11771	4.6
197.13249	7.5
199.14784	28.7
201.12805	7.3
201.16367	40.8
203.14268	25.0
205.15756	16.7
207.13834	7.2
209.13319	4.1
211.14705	13.5
213.16354	17.9
215.14322	10.0
215.18010	5.3
217.15796	10.5
219.13826	6.0
219.17516	4.1
221.15395	4.5
227.17918	5.9
229.15877	6.0
231.13834	3.6
233.15393	5.9
239.13840	9.5
241.19566	3.5
245.15378	11.3
249.14674	19.8
251.18098	3.9
257.15067	8.6
259.16861	5.9
267.21054	3.0
373.28952	7.6
391.29910	31.5
409.30923	37.7
411.32666	3.0
419.29474	11.7
422.38876	2.9
427.32004	9.5
437.30405	12.2
455.31659	17.0
473.32410	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	473.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13430	2.7
55.01862	4.1
55.05510	20.7
57.03436	20.6
57.07065	49.8
59.03191	3.0
61.02917	2.8
67.05504	24.0
69.03423	37.5
69.07068	14.3
69.49493	22.1
69.49914	8.7
71.04990	5.8
71.08618	37.7
81.03413	46.6
81.07047	23.6
83.04972	58.1
83.08608	14.1
85.02926	14.7
85.10176	19.2
93.03364	4.5
95.04975	5.1
95.08596	33.9
97.10162	12.4
99.04448	9.1
109.10160	16.1
111.04430	100.0
111.11707	9.1
121.10083	3.4
123.11671	4.6
129.05470	90.3
133.10123	4.0
133.67868	3.6
137.13196	3.8
147.11633	3.9
153.05484	3.4
158.14862	3.5
169.30803	3.2
171.06516	4.4
189.07584	20.2
267.26761	7.6
268.65939	3.1
377.30765	4.2
401.17944	4.8
413.32797	6.0
427.35757	4.9
430.21524	4.3
455.33975	4.2
473.24310	24.9
473.32278	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3621
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
55.05492	6.9
67.05489	11.8
67.60980	3.6
69.03393	4.8
69.07055	9.2
79.05477	13.0
81.03403	3.8
81.07046	26.0
83.04927	4.2
83.08624	8.5
91.05453	13.3
93.07029	22.6
95.04959	7.4
95.08588	38.9
97.06535	5.5
97.10166	5.7
98.10437	4.5
105.07006	22.4
107.08568	51.1
109.06493	3.7
109.10135	20.2
117.07026	5.3
119.08570	33.4
121.10103	28.2
123.11721	9.2
131.08580	11.2
133.10129	28.5
135.11694	28.1
143.08585	4.7
145.10115	15.3
147.11671	25.5
149.13278	16.0
157.10144	8.0
159.11649	13.2
161.13246	15.3
163.11153	10.9
163.14799	16.4
171.11700	8.3
173.13324	7.6
175.14824	17.8
177.12787	4.7
177.16379	20.6
185.96565	4.2
187.14812	24.6
189.16373	51.0
201.16382	8.3
203.18031	23.3
205.15857	100.0
205.19362	4.2
207.17441	31.1
215.17938	5.6
216.76067	3.9
219.17526	7.1
269.22626	4.1
275.33578	4.3
313.25424	5.7
322.65106	4.6
409.34747	41.3
427.35797	69.4
428.36240	6.8
437.34604	9.1
473.32501	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	473.3619
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
53.03931	0.7
55.05502	3.4
57.03409	0.7
57.07074	1.3
63.01294	0.6
67.05492	4.9
69.07060	5.3
69.62106	2.7
69.62524	1.7
79.05481	3.9
81.07044	11.6
83.04972	0.7
83.08617	2.8
91.05458	5.1
91.67106	0.5
93.07034	13.3
93.18103	0.7
95.04920	0.8
95.08588	19.2
97.06518	1.6
97.10144	2.4
105.07011	9.8
107.08579	17.4
109.06497	1.2
109.10139	9.1
111.08073	2.1
117.07006	1.8
119.08563	18.2
121.10117	11.0
123.08077	4.7
123.11694	5.2
129.06975	1.2
130.07753	0.8
131.08551	5.8
133.09166	1.1
133.10110	14.8
135.08015	1.1
135.11673	15.3
137.09654	1.1
137.13214	0.9
139.11177	0.8
140.64470	0.6
142.96851	0.6
143.08530	1.5
145.10085	9.8
147.11667	14.5
149.09583	0.7
149.13242	6.9
151.11125	1.4
157.10126	2.3
159.11670	8.2
161.13223	7.1
163.14798	5.5
164.87509	0.6
171.11678	2.6
173.13229	5.4
175.14819	5.4
177.12715	1.0
177.16383	3.6
179.10657	0.8
183.11806	0.6
185.13284	2.3
187.14806	9.0
189.16357	16.0
191.17906	2.2
193.15956	0.7
197.13324	1.2
199.14784	3.0
201.14482	1.0
201.16357	19.4
202.16512	0.5
203.17905	10.3
205.15863	6.2
205.19409	1.0
207.17416	14.9
213.16339	2.7
215.17903	6.1
217.19485	1.6
219.17482	1.8
221.18942	1.6
227.17949	2.0
229.19505	2.7
233.15297	0.8
235.16977	1.0
239.17719	0.6
241.19551	2.0
243.21126	2.3
247.16917	6.9
249.18594	0.7
253.19405	0.6
255.21097	6.8
257.22504	2.7
267.20908	0.9
269.22635	3.5
287.20084	1.3
301.21634	3.7
303.23239	1.9
315.23138	1.9
331.26242	6.4
357.27802	4.8
391.33575	1.7
409.34668	7.1
427.35672	100.0
428.35947	5.6
437.34167	7.2
455.35373	3.3
473.36465	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3623
Annotation	Hispidone
Peak:m/z	Relative Intensity
53.03946	1.1
55.05488	2.7
57.03402	1.0
57.07050	1.3
67.05487	7.2
69.07055	4.7
71.08585	0.9
71.71301	1.7
79.05482	6.1
81.03387	1.4
81.07050	11.5
83.04951	1.4
83.08588	2.7
91.05462	5.1
93.07034	9.8
95.04947	2.3
95.08591	13.9
97.06510	2.2
97.10155	2.0
105.07015	9.8
107.08580	14.9
109.06512	1.9
109.10134	10.3
111.08042	1.1
111.11739	0.9
112.88153	0.9
117.06977	1.1
119.08562	14.5
121.06496	1.1
121.10123	15.0
123.08017	1.6
123.11674	3.2
129.07011	1.1
131.08534	7.4
133.10126	10.0
135.08014	2.0
135.11676	13.3
137.09602	1.6
137.13194	1.8
141.06969	0.9
143.08508	3.2
145.10098	7.9
147.11655	12.2
149.13237	6.7
151.11194	1.5
157.10077	3.8
159.11700	5.4
160.12241	1.0
161.09657	1.6
161.13220	2.9
163.14774	6.4
171.11697	1.7
173.13234	3.2
175.14828	4.4
177.16356	4.7
181.21289	0.9
185.13196	1.5
187.14780	9.8
189.16351	12.8
191.14250	1.4
191.17848	1.9
196.62355	1.0
199.14746	1.1
201.16353	5.3
203.17882	1.5
205.15852	27.0
207.17395	14.1
213.16267	1.8
214.16962	0.9
215.17979	3.0
217.15810	1.0
217.19609	1.6
219.17451	2.9
229.19363	1.9
239.17947	1.1
242.19681	1.2
243.21114	1.5
255.20876	2.1
269.22614	2.2
290.79050	1.1
367.32260	1.0
409.34549	4.0
427.35724	100.0
428.36307	4.7
437.30115	1.4
455.31491	3.3
473.32489	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	473.3621
Annotation	Cyathic acid
Peak:m/z	Relative Intensity
55.05495	15.5
64.89270	4.8
67.05502	10.4
69.07078	10.1
69.69430	36.6
79.05485	16.3
81.07050	22.2
83.08611	5.8
91.05474	18.4
91.14214	4.8
92.46514	5.0
93.07025	17.8
94.31993	5.3
95.08594	47.5
97.15252	5.4
97.59568	5.4
105.07013	21.8
107.08584	57.2
109.10160	21.1
113.37579	5.1
119.08584	38.1
121.10144	38.0
131.08566	9.5
133.10124	34.9
135.11667	13.5
145.10118	31.8
147.11667	26.1
149.13278	6.7
151.48204	5.7
159.11691	20.0
161.13277	10.8
163.11150	6.1
175.14754	13.3
177.16400	22.9
187.14806	40.5
189.16362	51.9
191.17950	6.9
203.17976	53.6
205.15854	100.0
205.19408	9.1
207.17479	10.7
234.55521	5.5
235.16960	8.4
249.18457	15.6
297.04965	5.3
313.25070	7.0
409.34619	27.5
427.35376	6.4
437.34283	32.7
473.35471	44.6
488.13297	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	473.3621
Annotation	Cyathic acid
Peak:m/z	Relative Intensity
51.71352	3.0
53.03942	5.5
55.05500	23.1
67.05488	24.1
69.07067	18.7
69.42544	13.0
69.42973	19.3
79.05489	29.6
81.03412	20.7
81.07050	46.4
83.04967	4.2
83.08599	23.7
91.05472	28.3
93.07035	48.9
95.04955	9.6
95.08594	84.4
97.06509	5.5
97.10165	8.5
99.08115	4.0
105.02824	2.7
105.07018	39.5
107.04936	3.6
107.08576	62.6
108.08941	3.1
108.63028	3.2
109.06508	4.5
109.10146	52.0
111.08051	5.9
117.06974	7.1
119.08563	100.0
120.08936	5.4
121.10123	60.3
121.10966	4.3
123.11709	20.0
129.06960	4.8
131.08517	17.7
133.10109	44.3
135.08058	11.7
135.11671	49.4
137.13206	7.3
139.11403	3.0
143.08548	3.7
145.10107	38.6
146.10493	3.4
147.08031	3.2
147.11690	41.9
149.09572	5.0
149.13268	16.9
157.10098	9.3
159.11679	28.2
161.13222	26.2
163.07481	13.6
163.11147	5.6
163.14804	27.2
171.11693	10.5
173.09579	4.0
173.13264	20.3
175.11093	6.0
175.14842	16.4
175.57423	2.8
177.09079	4.7
177.12753	4.1
177.16432	15.9
185.13257	6.6
187.14807	51.2
188.15149	3.4
189.12726	3.7
189.16388	31.5
191.14223	6.7
191.17946	70.7
193.12288	6.9
199.14810	5.9
201.16374	30.6
202.16663	5.0
203.17934	51.1
205.15866	25.6
205.19421	6.7
207.13802	6.6
207.17480	6.5
213.16391	8.0
215.14275	4.6
215.17999	6.3
217.19563	9.6
219.17413	13.0
221.18990	5.7
227.05147	2.8
227.17818	7.0
229.15942	6.3
229.19507	4.2
231.21109	3.8
233.15308	8.8
235.20314	3.0
245.15485	3.4
247.16879	24.7
247.20715	3.8
249.14864	3.2
258.31387	2.6
265.17999	11.0
307.12128	3.1
391.33429	11.5
409.34595	99.7
410.34653	4.0
427.35602	22.3
428.11700	3.0
437.33810	11.8
455.35242	31.2
473.28766	10.2
473.36136	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	473.3624
Annotation	Cyathic acid
Peak:m/z	Relative Intensity
54.12191	8.6
55.05487	21.4
67.05495	44.7
69.07055	22.0
71.71954	13.2
79.05477	33.6
80.95469	7.3
81.07045	48.0
83.08605	15.9
91.05444	36.6
93.07030	56.9
95.04955	13.8
95.08593	73.7
97.06451	8.8
99.08072	16.6
105.07009	61.1
107.07882	10.6
107.08575	75.3
109.10112	42.6
117.07027	12.4
119.08559	100.0
120.08922	12.0
121.06512	8.2
121.10140	76.6
123.11684	18.1
131.08505	29.5
133.10135	58.1
135.11682	43.3
145.10097	31.9
147.11655	62.2
148.11992	10.0
149.09633	11.8
149.13239	21.8
157.10156	11.9
159.11641	41.3
161.13222	33.1
163.14761	17.3
171.11597	9.6
173.13242	26.6
175.14819	13.5
185.13211	14.1
187.14799	70.0
189.16374	33.3
191.17947	51.5
201.16389	47.1
202.16830	7.5
203.18044	38.3
205.15872	16.4
207.13379	8.0
217.19533	10.0
219.17412	17.3
249.18561	9.6
261.79825	9.2
327.49719	7.5
391.33231	14.5
409.34653	60.1
427.35565	11.7
437.34363	17.1
455.34814	26.3
473.32541	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	474.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.6
57.03423	1.3
65.03917	0.9
67.05482	1.5
67.96243	0.9
68.05015	1.3
69.03428	6.5
69.07069	1.2
70.06571	4.3
71.04975	1.1
71.62114	1.3
72.08127	2.7
74.06046	2.0
79.05460	1.2
80.05008	6.9
83.04940	0.9
84.04487	1.8
84.08120	1.7
85.02893	3.7
86.06066	5.4
86.09747	2.3
87.04460	45.8
87.04996	2.3
91.05469	2.3
97.02853	3.2
98.06025	3.6
99.04410	1.1
102.05518	1.3
105.07033	0.9
107.04956	1.0
107.28619	0.9
109.02884	1.6
111.04419	1.9
112.07607	1.3
114.93954	1.0
115.05441	1.6
116.07108	2.4
118.06491	2.1
119.04921	1.4
120.04446	5.1
122.05956	1.0
124.07561	2.1
126.09180	1.2
127.03891	1.8
130.06509	1.4
131.04872	1.3
132.04463	1.3
133.06500	1.5
134.05960	1.3
135.04376	1.2
137.05937	1.2
138.05470	1.3
145.04962	1.0
145.06479	1.2
146.06007	3.3
147.04379	3.1
148.03886	6.5
148.07582	1.7
157.06412	1.0
158.06030	1.2
159.04486	1.1
162.05441	2.3
163.03917	2.7
164.03413	20.5
164.07065	2.6
166.08595	10.4
172.07555	1.6
173.05978	1.6
174.05487	4.2
175.03932	1.3
176.07062	1.2
178.04910	2.1
186.05501	2.6
186.09041	1.7
188.07080	1.6
190.05022	3.7
190.08623	1.4
192.06560	2.0
194.04517	1.2
200.07085	2.3
201.05533	1.2
202.04993	4.0
203.03313	1.9
204.06541	3.5
210.01936	1.0
214.08614	4.0
215.03453	1.2
216.06465	1.6
218.04489	2.8
220.06021	4.1
226.08723	2.0
227.03407	1.6
228.06465	1.3
230.08095	1.8
232.05992	1.5
234.07599	3.8
236.09035	2.2
238.07048	3.9
240.06569	1.2
242.08141	4.4
246.04121	1.4
247.02229	1.4
250.07080	30.0
254.10231	4.3
258.07617	2.4
260.05624	1.5
260.09152	2.3
264.08810	2.3
268.06058	1.5
268.11917	2.0
270.07666	3.1
272.09174	2.8
274.07068	1.8
276.08627	2.6
282.13342	1.2
286.07101	3.4
288.08566	4.5
290.06995	1.5
290.10165	2.4
292.08240	1.7
299.10352	1.8
300.08624	1.3
302.10138	1.4
303.04953	1.3
304.08255	2.1
306.09735	5.1
318.09689	4.7
320.07584	3.4
324.10767	46.7
325.11038	1.7
332.07571	2.8
340.10162	1.3
346.09103	1.4
360.10635	2.9
370.11432	2.4
376.10135	1.5
378.11804	4.2
388.10422	1.0
406.11185	6.8
438.13864	15.9
442.13525	8.9
456.14966	100.0
457.15265	5.2
474.16013	85.5
475.16669	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	474.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	12.4
55.01841	10.1
55.05503	37.4
57.03421	10.8
66.08964	7.3
67.05501	58.8
69.07047	28.9
69.53542	73.5
79.05482	97.4
81.03386	33.9
81.07045	52.9
82.07385	12.4
83.04965	15.7
83.08613	15.5
91.05473	62.3
93.07033	100.0
95.04934	29.5
95.08578	49.3
97.06516	13.2
99.08094	19.5
105.07008	50.4
107.08566	58.1
109.06428	11.9
109.10134	21.9
110.10458	9.2
117.06963	20.8
119.08556	45.6
120.08881	12.3
121.06465	7.9
121.10154	51.9
123.07954	8.1
129.06947	13.2
131.08510	25.1
133.06480	8.8
133.10089	29.7
134.10352	13.8
135.11653	53.3
142.07448	8.2
143.08511	14.0
145.10100	23.4
147.11639	21.2
149.09494	8.3
149.13281	19.9
151.93181	7.9
159.11621	16.4
161.13399	7.6
163.03842	21.4
163.14777	10.2
171.11629	9.0
173.13197	13.4
277.21558	99.6
383.22116	14.6
401.22339	7.6
426.78738	8.5
440.60809	7.6
456.31699	50.8
457.25052	10.0
474.32733	36.4
475.26715	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	475.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.2
55.01867	11.8
55.05503	37.5
56.25014	1.7
56.88823	2.0
57.03436	9.5
59.04982	2.3
65.03928	4.0
67.05495	41.5
69.03412	5.5
69.07059	9.5
70.07027	8.5
71.05012	3.1
79.05481	33.6
80.66753	1.8
81.03404	17.2
81.07044	34.0
83.04985	4.4
83.08600	14.3
83.57589	2.1
85.06535	2.4
91.05461	28.3
93.07022	21.0
95.04960	19.3
95.08592	17.0
97.06503	2.8
97.10153	21.5
103.05423	1.9
105.07026	19.9
107.04942	16.3
107.08584	18.3
109.02863	8.6
109.06498	3.2
109.10123	14.8
115.05447	4.1
117.06994	13.7
119.04916	5.7
119.08564	13.1
121.06503	12.9
121.10124	6.5
123.04430	3.7
123.08036	7.9
125.02360	5.1
125.09618	14.9
128.06197	4.0
129.06960	9.0
131.04913	7.0
131.08534	14.6
133.06461	9.9
133.10109	5.4
135.04395	4.8
135.08014	6.7
135.11697	2.6
137.05942	2.5
137.62350	2.0
141.06940	4.5
142.07855	3.5
143.08536	11.8
144.34946	2.1
145.02979	1.8
145.06470	16.2
145.10046	11.5
147.04410	8.4
147.08054	10.6
147.11687	3.5
149.05978	3.8
149.09599	3.1
153.06960	2.0
153.09062	3.5
155.08549	8.8
157.06502	7.8
157.10089	7.5
159.04419	2.8
159.08017	9.4
159.11690	2.3
160.05180	6.6
161.05963	32.5
161.09537	4.8
163.07542	3.3
163.11153	7.4
165.06979	3.1
167.08566	4.6
169.06432	2.9
169.10104	5.1
171.08066	10.1
171.11656	2.9
173.05997	6.8
173.09593	11.9
173.11771	2.9
175.07547	5.9
175.11217	3.6
179.08519	3.6
181.10031	4.3
183.08025	4.1
183.11662	5.6
185.09622	5.6
185.13292	2.6
187.07520	5.2
187.11174	4.8
189.09151	4.4
189.11218	6.1
191.10600	3.4
193.12225	5.1
195.08107	3.6
195.11800	2.6
197.09602	5.4
197.13345	3.9
199.07562	3.3
201.09109	3.1
201.12613	2.8
203.14250	2.1
205.12167	3.0
211.11194	7.3
213.12770	3.7
215.10864	2.0
225.12938	4.3
229.12259	4.4
231.13777	6.4
237.11128	3.4
239.10699	2.4
243.13809	6.3
253.12225	2.8
257.15509	2.9
269.15433	8.8
271.13263	6.6
271.16803	1.8
273.14844	8.0
285.14755	2.6
287.16458	5.1
289.14297	25.5
303.16019	2.7
337.21524	5.4
347.19931	3.0
355.22702	11.1
365.21036	24.3
383.22110	100.0
384.22556	2.9
393.24307	2.5
401.23178	42.5
402.23312	2.8
403.22659	3.3
419.24072	3.8
421.23709	7.9
431.24390	10.5
439.24805	15.1
445.25580	2.0
457.25812	64.7
475.26871	99.9
476.27182	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	475.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.4
55.01863	5.5
55.05502	25.8
56.16543	1.3
57.03425	8.9
57.07063	3.2
58.51661	1.2
65.03947	4.4
67.05492	91.1
69.03439	2.2
69.07053	26.5
69.44868	7.6
69.45290	4.6
71.04987	5.3
73.06543	1.6
77.03942	2.1
79.05479	84.5
81.03409	13.9
81.07042	100.0
82.07403	1.4
83.04967	17.7
83.08604	17.8
85.06555	5.4
91.05463	62.0
92.05817	1.3
93.07027	99.3
94.07362	2.1
95.04952	28.0
95.05503	2.1
95.08588	33.7
97.06510	13.2
97.10203	4.2
99.08097	2.9
105.07011	43.6
107.04943	7.4
107.08572	36.1
109.06520	7.2
109.10151	8.2
111.08099	5.4
113.09652	2.3
114.39011	1.1
115.05472	2.5
117.06985	12.8
119.08560	21.3
121.06518	4.7
121.10118	18.0
121.10838	1.3
123.08087	5.1
123.11693	1.6
124.57108	1.2
125.09672	2.1
128.06216	2.9
129.06985	15.8
131.08562	11.8
133.06532	2.7
133.10083	14.3
135.08063	2.3
135.11670	8.6
142.07832	1.2
142.40991	1.2
143.08549	9.0
145.06537	1.7
145.10057	8.8
147.08072	3.9
147.11656	31.7
149.09564	2.2
149.13229	23.5
149.14261	1.6
153.12814	1.2
157.10168	1.5
159.11678	10.3
161.05984	2.3
161.09680	3.8
161.13222	11.8
163.11230	1.8
171.11661	26.6
175.14882	1.2
177.12697	7.0
185.99391	1.2
189.12715	11.8
195.13728	8.2
207.13768	33.2
207.15561	2.2
225.14977	4.0
243.75858	1.2
259.79330	1.3
281.17429	1.3
289.14520	2.4
365.20953	1.6
383.21921	6.9
401.23105	2.0
421.48224	1.6
457.25812	3.9
475.30756	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.1
53.03940	10.6
55.01865	6.2
55.05505	26.4
57.03424	8.2
57.07081	2.4
58.26410	1.1
60.60957	1.1
65.03932	4.7
66.19129	1.3
67.05495	91.3
69.03429	2.8
69.07062	24.9
70.06531	3.2
70.06925	3.2
71.04981	5.5
71.08631	1.6
73.06551	1.7
79.05481	90.8
80.05842	1.4
81.03419	13.0
81.03843	2.2
81.07045	100.0
82.07409	1.4
83.04969	18.0
83.05411	1.5
83.08599	14.7
83.09002	1.3
85.06545	4.9
85.50079	1.3
85.97210	1.4
91.05467	66.7
93.07033	89.0
95.04953	27.1
95.08589	35.8
96.73175	1.0
97.06515	11.9
97.10191	4.1
97.56559	1.0
99.08086	2.8
103.05501	1.4
105.04534	2.7
105.07013	38.9
107.04929	8.6
107.08579	38.3
109.06506	7.2
109.10154	6.6
111.08051	7.5
115.05495	2.8
117.07008	13.2
119.08556	22.2
121.06535	4.0
121.10132	20.7
123.08089	4.5
123.11716	3.3
125.06010	1.1
125.09645	3.2
127.07582	2.0
128.06216	3.1
129.07007	12.1
131.08553	11.6
133.06474	2.4
133.10109	16.1
135.08040	1.8
135.11678	7.9
141.09241	1.3
143.08539	8.1
145.10121	10.5
147.08063	2.5
147.11662	30.7
149.09610	1.4
149.13242	22.6
149.14304	1.9
151.11230	1.7
153.12775	1.6
157.10223	2.6
159.11687	8.0
161.06073	1.9
161.09659	2.7
161.13226	9.3
163.11198	2.7
167.71251	1.3
169.10077	1.4
171.11671	24.6
175.14856	1.5
177.12714	6.5
179.14236	1.4
189.11156	2.1
189.12689	10.2
193.12209	1.2
195.13835	5.2
207.13783	28.7
207.15593	2.0
225.14993	3.2
227.12747	2.0
304.26288	2.0
339.00253	1.2
383.22388	4.7
401.23041	2.2
439.25339	1.4
457.25818	3.0
475.30676	62.6
476.31665	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	475.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63078	1.0
53.03949	8.0
55.01855	4.1
55.05506	23.0
57.03428	5.2
57.07059	2.9
58.98903	0.9
59.04969	1.2
65.03937	4.9
67.05495	95.4
69.03424	1.4
69.07059	26.5
69.68211	7.5
71.04968	5.3
73.06528	2.0
77.03883	1.5
79.05482	98.4
81.03413	9.6
81.07045	93.8
82.07372	1.9
83.04974	13.1
83.08604	13.5
85.02873	1.1
85.06535	4.7
91.05469	69.2
92.05772	1.1
93.07030	100.0
94.07363	1.4
95.04953	27.8
95.07999	2.0
95.08590	37.4
97.06522	12.2
97.10158	3.5
99.08075	3.1
103.05453	1.8
105.04514	2.2
105.07011	41.2
107.04956	4.8
107.08576	39.4
109.06501	7.8
109.10136	5.5
111.04487	1.2
111.08062	4.5
115.05445	1.7
117.07010	14.6
119.08563	22.2
121.06522	4.7
121.10144	17.8
123.08061	6.9
123.11675	1.6
127.07549	2.7
128.06200	3.1
129.06995	14.3
130.07771	1.1
131.08548	10.4
133.10107	15.4
135.08028	1.9
135.11678	8.3
139.11195	1.2
143.08490	8.1
145.10107	9.4
147.08034	2.8
147.11662	30.8
149.13223	28.1
151.11221	1.4
157.10091	1.0
159.11693	10.7
161.09630	3.5
161.13240	14.2
171.11679	26.1
172.11987	1.0
177.12685	6.1
179.14136	1.4
189.12689	10.7
195.13744	7.1
207.13782	29.2
213.14845	1.4
225.14844	2.9
251.16510	1.9
269.17551	1.8
281.17441	2.1
411.39569	1.1
457.28970	1.4
475.30518	61.4
476.31110	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.6
52.62753	1.4
53.03937	8.8
54.29391	1.1
54.81211	1.3
55.01852	3.8
55.05502	21.1
57.03425	7.2
57.07055	6.1
59.04981	1.3
61.02898	3.4
65.03910	5.0
65.27794	1.2
66.04732	1.5
67.05495	92.3
68.39582	1.3
69.03416	4.0
69.07053	25.1
71.01335	1.7
71.04961	5.1
71.08620	1.7
71.72153	1.8
73.02910	2.6
73.06537	1.8
79.05481	88.6
81.03404	12.1
81.07043	100.0
82.07366	2.3
82.41623	1.3
83.04971	17.0
83.08602	19.8
85.02872	5.5
85.06541	6.9
85.10135	1.4
91.03933	4.1
91.05468	67.1
93.07032	91.0
94.07376	2.8
95.04959	26.0
95.08004	2.6
95.08594	41.3
96.08875	1.9
97.02885	3.8
97.06514	12.9
97.10141	5.7
99.08033	3.3
103.05420	1.5
105.04474	1.3
105.07012	42.2
107.04926	6.0
107.08578	39.0
108.08947	1.5
109.06490	7.3
109.10139	8.4
111.08044	7.9
114.82014	1.5
115.05448	1.6
115.75624	1.2
117.06996	12.4
119.08566	27.2
120.08904	2.2
121.06459	2.8
121.10137	17.0
123.08025	5.9
123.11672	3.8
127.03860	1.8
128.06197	3.4
129.06987	15.7
131.08536	10.8
133.10114	16.6
135.08012	3.3
135.11679	8.5
143.08563	7.7
145.04878	1.7
145.08601	1.5
145.10080	9.9
147.08037	3.4
147.10565	2.7
147.11668	36.4
149.13232	25.4
159.11684	14.1
161.09575	3.7
161.13261	12.7
163.11177	2.0
171.11670	23.2
177.12732	6.8
179.14276	1.9
187.14835	1.6
189.12708	11.6
195.13774	7.3
203.17905	1.4
207.13766	26.4
225.14783	3.4
239.23714	1.7
281.17517	2.1
313.27487	6.9
428.35956	1.6
429.36240	14.7
439.35443	1.9
457.29767	1.7
475.30466	66.2
476.30887	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	475.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.1
51.26005	1.1
53.03942	10.8
55.01864	6.3
55.05505	25.8
57.03428	7.3
57.07056	4.4
58.06590	6.9
60.08152	1.5
65.03942	6.0
67.05495	93.1
69.03426	2.0
69.07058	25.7
70.29143	5.0
71.04976	4.7
71.08607	1.8
73.06505	1.6
77.03877	2.3
78.38581	1.1
79.05481	94.2
81.03404	11.2
81.07043	100.0
83.04967	14.6
83.08605	17.6
85.06516	4.2
91.05466	63.5
93.07030	95.3
94.07355	1.4
95.04395	2.0
95.04955	24.9
95.08597	38.3
96.08936	1.5
96.26979	1.2
97.06511	14.3
97.10157	4.3
99.07996	2.6
100.73916	1.5
103.05445	1.9
105.04508	2.6
105.06328	2.6
105.07013	45.7
107.04962	6.3
107.08578	40.5
108.54934	1.2
109.06490	7.3
109.10112	4.9
111.08054	7.4
114.07979	1.4
115.05421	1.2
117.06271	1.5
117.07003	14.6
119.08554	24.7
121.06456	4.0
121.10134	16.4
123.08040	5.8
123.11700	2.5
128.06198	1.4
128.49620	1.5
129.06985	16.9
130.07732	1.2
131.08528	10.2
133.06459	1.7
133.10120	16.7
135.08043	2.9
135.11684	8.4
136.11940	1.2
143.08537	10.0
144.10318	1.3
145.10126	10.8
147.08078	2.6
147.11661	30.8
149.13243	24.7
151.11081	1.8
156.09239	1.9
159.11670	12.8
161.09644	4.0
161.13225	10.7
171.11659	25.4
177.12697	5.7
179.14334	1.5
187.42856	1.2
189.12698	10.5
195.13750	7.6
207.13760	29.2
225.14752	4.1
236.14871	12.1
237.15297	6.6
257.19116	1.2
257.93182	1.2
281.17459	1.9
395.90991	1.5
457.37161	3.7
475.30466	66.4
475.38043	17.2
476.31345	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	475.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97639	1.2
53.03930	10.7
55.01847	3.8
55.05502	29.0
57.03430	9.0
57.07048	4.2
63.89492	1.4
65.03918	4.4
67.05492	93.4
69.03384	2.0
69.07056	28.7
70.89810	3.5
70.90168	2.4
71.04968	5.2
79.05479	95.6
81.03416	10.2
81.07041	97.9
83.04961	16.0
83.08604	17.9
85.06511	4.6
91.05464	66.3
93.07027	100.0
95.04945	26.3
95.08587	40.3
97.02849	1.4
97.06515	10.9
97.10134	4.2
98.98463	7.3
99.08058	2.2
103.05432	1.7
105.04462	2.6
105.06330	2.7
105.07011	40.5
107.04955	9.0
107.08568	42.5
109.06482	6.3
109.10110	8.7
111.08069	8.5
115.05429	1.9
117.07001	14.1
119.08562	21.3
121.06483	5.1
121.10139	19.4
123.08035	4.9
123.11666	2.5
127.07516	2.4
128.06189	3.9
129.06978	15.1
131.08568	11.4
133.06448	1.5
133.10100	16.2
135.08026	1.9
135.11656	10.7
136.99953	6.8
143.08527	9.0
145.10080	9.3
147.07997	1.9
147.11662	33.6
149.13219	23.6
155.00993	5.9
157.10139	1.6
159.11652	10.4
161.09543	4.4
161.13252	10.5
163.11243	1.6
167.14264	1.9
169.10239	1.4
171.11659	28.4
177.12712	5.2
177.16402	1.9
189.12743	12.5
195.13765	6.6
207.13762	30.0
213.14738	2.1
225.14754	3.8
228.49892	1.5
339.28845	5.3
406.18503	1.8
475.30533	65.7
476.30487	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	475.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.4
53.03939	11.2
55.01856	8.9
55.05503	34.2
57.03422	8.5
57.07062	2.4
59.04977	1.8
65.03926	6.1
67.05496	93.4
69.03397	2.6
69.07064	23.9
69.84010	1.4
71.04967	5.0
79.05484	97.7
81.03408	16.1
81.07043	100.0
83.04977	16.3
83.08603	19.9
85.06514	4.9
91.05463	71.7
92.05813	2.0
93.07033	90.6
94.07410	2.0
95.04953	29.6
95.08011	2.6
95.08596	43.4
97.06509	15.0
97.10148	9.3
99.08060	6.9
103.05450	2.5
105.04494	2.3
105.07015	46.4
107.04930	13.3
107.07909	3.2
107.08585	40.5
109.02863	4.1
109.06478	9.4
109.10115	9.9
111.08063	8.0
113.05992	1.8
115.05441	3.0
117.07014	18.8
119.04975	1.8
119.08564	25.1
121.02815	2.4
121.06499	8.1
121.10128	19.5
123.08075	7.4
123.11717	1.9
125.09610	6.0
127.07542	3.8
128.06172	4.8
129.06993	21.3
130.07770	2.3
131.04933	2.1
131.08524	15.4
131.81453	1.8
133.06468	5.7
133.10109	18.1
134.95926	1.7
135.04485	1.9
135.08035	5.5
135.11678	11.3
141.06963	4.8
142.07816	1.6
143.08551	11.8
145.06448	6.0
145.10114	13.3
147.04401	3.0
147.08028	5.6
147.11668	32.0
149.09641	1.7
149.13252	22.9
151.11119	1.9
155.08495	3.4
156.09222	1.8
157.10117	3.7
159.08057	2.8
159.11700	15.3
160.05118	2.1
161.05931	11.4
161.09615	5.8
161.13237	11.9
163.11183	3.3
169.10150	2.5
171.08032	1.8
171.11681	23.6
173.09598	4.4
173.11740	2.0
175.07591	2.6
177.12715	5.2
182.78062	1.8
183.08141	1.7
185.09586	2.2
187.07631	2.2
189.09161	1.8
189.11226	3.6
189.12756	11.1
193.10136	1.6
193.12201	2.1
195.13809	5.4
197.13174	1.7
207.13759	22.0
225.14833	4.2
229.71590	1.7
243.13741	3.6
251.16263	2.1
269.15088	2.0
271.13596	2.1
273.14664	4.0
281.17349	1.9
286.15878	1.5
289.14319	6.0
301.14282	1.8
355.22330	2.5
365.20972	6.5
383.22028	31.0
383.25916	1.7
384.22351	2.4
401.22977	14.7
419.24033	2.9
431.24081	3.4
439.24649	3.9
439.31326	1.6
457.25671	18.7
457.32068	3.1
475.25934	12.7
475.30356	46.6
476.30615	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	475.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.4
55.01863	4.7
55.05501	30.9
57.03433	7.4
57.07061	2.0
59.04983	1.2
65.03921	5.0
67.05496	96.1
69.03413	1.6
69.07058	29.9
69.47300	2.0
69.47688	11.6
71.04974	4.5
74.91184	1.1
76.33553	1.0
77.03905	1.5
79.05482	99.3
81.03410	12.8
81.07045	100.0
82.07362	1.9
83.04507	1.4
83.04969	16.3
83.08601	17.2
85.01191	1.0
85.06516	4.9
91.05467	70.2
93.07030	99.7
95.04954	26.7
95.08589	38.7
97.02918	1.3
97.06505	11.6
97.10147	4.5
98.20724	2.1
99.08079	3.6
103.05428	1.7
105.04506	2.9
105.07018	43.0
107.04941	7.6
107.08576	41.0
109.06491	8.6
109.10134	7.9
111.08080	6.4
115.05468	2.1
117.07018	14.5
119.08574	23.8
121.06480	4.8
121.10134	19.4
123.08060	6.0
123.11684	3.0
125.09609	1.8
127.07548	1.8
128.06203	2.6
129.06990	14.1
131.08571	16.1
133.10104	15.6
133.75797	1.1
135.08092	3.0
135.11681	8.6
141.09135	1.6
142.07794	1.3
143.08568	9.2
143.09575	1.5
145.06459	1.1
145.10103	8.3
147.08029	4.2
147.10564	2.4
147.11668	33.4
147.42741	1.2
149.13235	23.0
155.08607	1.3
157.10098	2.8
159.11653	12.5
161.09619	6.8
161.13196	10.5
167.14304	1.8
171.11670	28.3
173.09651	1.5
177.12686	4.5
185.13226	2.0
189.12682	10.9
195.13820	6.7
207.13791	28.3
225.14880	3.8
281.17770	1.7
283.76758	1.3
286.92453	1.5
369.22385	1.5
382.31082	1.3
383.21790	2.3
475.30536	64.0
476.31207	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.6
55.01854	5.0
55.05505	27.0
57.03417	7.0
57.07054	3.4
64.36592	1.7
65.03927	5.1
67.05493	87.7
69.03413	2.7
69.06684	2.2
69.07052	24.2
70.82289	1.6
70.82629	5.0
71.04967	5.0
72.79047	1.5
73.06551	1.9
74.91004	1.3
75.16147	1.3
76.06761	1.6
79.05482	99.2
81.03420	9.1
81.07045	100.0
83.04976	13.8
83.08605	15.1
85.06525	4.6
88.65001	1.6
88.85777	1.4
91.05462	63.1
93.07030	86.9
95.04949	30.0
95.08591	34.0
97.06519	11.4
97.10126	5.2
99.08110	1.7
103.05460	2.0
105.04520	2.3
105.07016	42.0
107.04933	7.0
107.08580	38.3
109.06504	6.3
109.10142	5.7
111.08054	6.3
115.05415	2.7
117.06992	15.6
119.08558	22.6
121.06484	2.8
121.10107	11.7
123.08057	4.0
123.11694	2.0
127.07561	2.8
128.06189	3.4
129.07004	18.8
131.08533	9.9
133.06430	1.7
133.10106	14.8
135.11671	8.3
143.08598	7.4
145.10072	8.6
147.08015	2.8
147.11679	30.6
149.13243	18.6
159.11673	8.9
161.09592	3.7
161.13185	12.3
169.72847	1.9
171.11664	23.1
177.12746	4.6
180.86168	1.5
189.12665	9.7
195.13797	8.4
207.13760	25.2
225.14789	3.2
281.17462	1.9
457.29300	2.0
461.94531	1.6
475.30524	56.7
476.30594	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.2
54.90108	1.1
55.01849	4.7
55.05503	27.8
57.03424	6.0
57.07056	1.8
65.03923	6.1
67.05495	95.4
68.05823	1.8
69.03423	1.5
69.06690	1.4
69.07060	26.2
69.53049	9.9
71.04974	5.6
73.06550	1.9
76.65324	1.1
79.05482	97.1
80.05807	2.3
81.03403	10.4
81.07046	100.0
82.07384	2.4
83.04971	15.2
83.08611	18.2
85.06522	5.8
91.05469	67.5
93.07030	90.9
95.04952	27.1
95.08593	42.3
97.06518	10.4
97.10155	3.3
99.08099	2.3
103.05486	1.6
105.04491	2.4
105.07014	47.1
107.04918	7.5
107.08581	36.4
107.09325	1.9
109.06496	8.5
109.10114	5.6
111.08044	5.1
115.05465	1.7
117.07000	16.9
119.08557	24.5
121.06471	3.6
121.10129	18.1
123.08038	6.9
123.11726	2.1
125.09592	1.2
128.06190	2.5
129.07001	14.6
131.08551	10.4
133.10110	18.0
135.08018	2.1
135.11679	8.7
137.09489	1.2
139.11188	1.3
143.08568	7.6
145.10126	9.9
147.08095	1.6
147.11674	33.6
149.13235	23.9
156.09390	1.9
157.10063	1.9
159.11679	10.6
161.09618	2.9
161.13263	13.5
163.11119	1.5
171.11673	22.9
177.12738	5.0
179.14177	1.3
184.07265	1.2
189.12700	11.2
195.13785	6.7
207.11859	1.7
207.13789	27.6
225.14764	2.7
245.33313	1.7
348.68607	1.3
475.30515	62.7
476.31024	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	475.305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.8
52.13693	1.5
53.03944	10.4
55.01862	6.3
55.05506	33.6
57.03429	8.4
57.07074	3.4
65.03938	3.1
67.05498	96.1
68.05836	1.5
69.03417	2.3
69.07058	26.4
70.73324	5.3
71.04984	6.6
73.06551	3.8
77.03944	1.8
79.05487	100.0
81.03409	17.0
81.07047	95.1
83.04967	18.4
83.08608	19.7
85.06534	5.3
91.05471	78.0
93.07034	98.1
94.07346	1.9
95.04958	31.7
95.08600	44.0
97.02875	1.6
97.06525	14.6
97.10168	6.9
99.04434	1.6
99.08097	5.7
103.05508	1.3
105.07019	52.0
107.04940	14.0
107.08589	40.5
109.02892	1.4
109.06521	11.4
109.10150	8.3
111.08047	7.5
113.06001	3.2
113.09613	1.8
115.05417	2.3
117.07002	18.1
119.08573	30.3
121.06504	7.3
121.10138	22.1
123.04417	1.8
123.08073	9.5
123.11671	3.4
125.09611	2.3
127.07557	2.2
128.06226	2.7
129.06984	20.0
130.07765	2.4
131.04951	1.7
131.08568	18.6
133.06516	3.6
133.10104	21.1
135.08031	5.2
135.11678	13.1
137.05965	1.5
137.09570	2.8
139.11176	2.2
141.06992	3.3
143.08582	9.6
145.06496	2.2
145.10088	14.1
147.08011	4.7
147.11670	30.1
149.09587	5.2
149.13257	20.3
151.03838	1.9
151.11206	2.3
155.08575	3.0
157.10123	4.9
159.07962	2.6
159.11676	11.0
161.05956	3.1
161.09596	5.6
161.13248	12.1
163.11162	9.8
165.09099	3.4
169.06445	2.4
169.10088	2.7
171.11681	25.9
173.09712	1.7
173.13353	3.4
175.11179	2.7
177.12761	4.8
179.14455	1.5
181.10170	1.7
183.11726	2.1
187.11105	2.2
189.09195	1.9
189.12724	12.2
191.10612	1.8
193.12151	3.1
195.11844	1.6
195.13820	6.6
197.13362	1.8
203.14293	2.2
207.13792	23.9
208.14165	1.8
225.14836	2.3
254.78830	1.6
289.14581	2.1
291.19482	4.3
365.20868	2.2
365.25021	2.2
383.22083	8.9
383.26288	3.2
401.22867	3.4
439.32251	1.7
457.25824	9.9
457.32959	7.9
458.25958	2.1
475.30945	44.0
476.30750	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	475.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	2.0
53.03939	8.1
55.01842	4.8
55.05503	29.7
57.03418	6.0
57.07056	4.0
59.04999	1.8
63.59076	1.1
65.03918	6.2
67.05493	84.3
68.05834	1.7
69.03414	1.7
69.07054	27.3
69.67701	2.9
69.68108	8.8
71.04967	4.6
71.08620	1.3
77.03900	2.1
77.30282	1.1
79.05479	93.5
80.05799	1.2
80.42002	1.1
81.03403	10.8
81.07043	99.0
82.07372	1.7
83.04967	15.4
83.08609	18.0
85.06519	5.6
91.05466	67.6
93.07029	100.0
95.04951	26.7
95.07999	2.6
95.08592	41.7
97.06523	12.1
97.10155	4.9
98.20667	1.7
99.08073	2.8
105.04494	2.5
105.06330	2.6
105.07014	42.8
107.04942	7.5
107.08578	45.3
108.08900	2.2
109.06503	9.6
109.10157	9.5
111.08051	6.0
113.09632	1.6
115.05440	2.4
117.07011	14.9
119.08567	31.8
120.08913	1.6
121.06482	5.0
121.09254	1.9
121.10128	22.9
123.08015	4.5
123.11690	3.9
127.07526	1.5
128.06183	3.4
129.06979	15.1
131.08551	12.8
133.10110	18.1
134.10387	1.6
135.08054	1.7
135.11659	10.1
137.09579	1.5
141.06960	2.0
143.08543	7.3
145.10112	14.0
147.08025	3.5
147.11662	33.7
149.09552	1.6
149.13229	25.1
150.13585	1.6
151.11060	2.5
157.10161	2.4
159.11670	11.6
161.09586	5.3
161.13248	12.8
163.11264	1.3
169.10120	2.6
171.11676	26.6
173.13274	3.1
177.12672	7.0
177.16586	1.6
187.14774	3.1
189.12767	8.7
189.16365	3.2
191.17854	1.6
195.13837	6.8
203.17946	4.3
204.18228	3.6
205.15794	1.7
205.18611	1.5
206.16180	2.2
207.13771	27.2
217.19299	1.5
225.14882	2.6
227.12704	1.5
315.28818	1.2
321.76010	1.4
379.42517	1.5
383.25970	2.3
411.35196	4.5
457.32965	6.0
475.30441	53.1
476.30746	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	476.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44303	0.9
55.01909	1.1
55.04564	0.7
55.05488	0.8
55.18607	0.9
57.03428	9.7
58.68724	0.7
59.04983	2.0
59.96757	0.7
60.04509	1.6
60.46249	0.9
61.02921	1.0
69.03420	29.0
70.06075	3.4
70.06568	3.1
71.04976	1.1
72.08144	1.3
75.04453	2.1
81.03406	1.6
84.04490	1.8
84.08133	1.0
85.02892	25.0
85.06512	1.0
86.09694	2.3
87.04452	20.1
91.05478	7.4
95.04920	0.8
95.64698	0.7
97.02239	1.3
97.02874	25.1
98.20740	1.0
98.97592	0.8
99.04425	1.5
105.07006	1.4
109.02876	1.4
115.03915	29.6
115.04700	1.8
116.65194	0.8
119.04932	19.9
119.08548	0.9
123.04414	2.0
127.03897	3.3
129.05473	0.9
130.05096	0.8
131.08556	1.1
133.03935	1.6
133.04942	26.4
133.06429	1.3
135.04428	1.0
143.04878	1.2
145.04938	2.4
147.04385	100.0
148.04781	1.9
150.07605	3.2
161.05966	1.8
163.03908	3.0
163.07526	1.4
165.05452	48.7
171.04343	1.8
177.05380	1.1
185.05890	1.0
189.05443	6.5
201.05437	1.3
207.06538	7.1
210.22823	0.9
241.07156	1.4
242.44322	0.8
243.06525	3.1
259.07965	1.2
261.07547	1.9
279.08633	3.5
301.06787	1.4
357.01492	0.9
437.57169	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09708	0.8
53.03916	0.9
55.01851	1.3
55.05503	1.8
56.96549	1.9
57.03433	6.7
61.02909	1.6
66.92696	0.6
69.03403	2.8
71.01338	0.7
71.04981	44.4
71.50056	1.2
71.50402	0.8
73.02901	2.2
75.04450	2.6
79.05458	1.0
81.03407	8.7
83.04967	2.3
84.04475	1.0
85.02892	58.9
86.09679	1.0
87.04449	2.2
91.03939	1.0
91.05392	0.8
93.07014	0.9
94.06567	4.2
95.04939	2.8
97.02870	3.7
98.97576	7.3
99.04422	1.0
107.04944	0.7
109.02836	1.9
110.06027	3.4
111.04410	3.0
112.84787	0.6
116.98608	3.7
119.01824	0.7
119.05003	0.9
121.06470	1.4
122.06016	29.3
123.04414	3.6
127.03908	2.0
128.98607	1.8
129.05458	14.0
131.00131	1.4
134.99631	1.9
137.05948	0.8
138.05493	6.9
140.07054	5.9
145.04909	2.3
146.99657	1.0
147.06502	3.9
149.05984	1.4
150.05470	20.3
150.06589	1.3
155.04622	2.3
158.99643	2.2
161.01239	1.1
167.07008	2.1
167.73264	0.7
168.06540	100.0
169.06999	1.1
177.00711	1.8
177.05937	2.8
189.04256	0.8
191.05899	0.8
205.79616	0.8
214.15752	0.8
219.01678	1.8
236.57477	0.8
237.02797	3.5
238.03201	0.8
260.09238	1.2
294.11557	1.7
309.08490	2.2
314.12354	0.9
318.34189	0.7
330.11838	11.2
335.09967	1.2
353.07458	0.8
381.10608	1.0
416.09375	0.9
476.17725	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01861	2.9
55.05490	0.7
57.03156	1.3
57.03431	23.9
59.04995	5.4
60.04521	3.9
61.02916	2.2
65.78152	0.7
67.05510	1.3
69.03420	88.1
69.07014	0.6
69.98972	0.7
70.03789	0.9
70.06593	1.1
71.04982	1.2
71.70979	1.1
73.02916	4.1
74.74359	0.7
75.04460	3.8
79.05490	2.3
81.03404	4.6
81.07053	2.2
82.06583	1.3
83.04945	1.1
85.02893	68.6
87.04455	61.2
89.03882	1.1
91.03945	2.4
91.05466	1.8
93.07025	2.1
94.06543	2.0
95.04954	2.0
95.08578	1.3
97.02879	75.1
98.06035	1.1
99.04443	2.6
103.05452	1.2
105.07014	9.5
107.04945	1.8
107.08569	0.9
108.08084	1.0
109.02850	3.5
109.10102	1.0
111.04446	1.5
115.03916	100.0
116.04268	1.0
117.03386	1.9
117.07027	1.2
119.08595	1.1
123.04410	3.5
124.05204	11.9
127.03912	8.3
128.52823	0.7
129.06993	1.8
133.04950	99.3
133.06392	6.6
133.10136	1.4
134.05315	0.8
135.04433	5.0
136.07539	0.9
137.05954	19.1
142.08615	2.5
144.06544	2.0
145.02829	2.7
145.04955	10.5
145.06146	1.1
147.11679	1.1
150.06656	0.9
150.07617	9.6
151.03879	2.0
153.05388	0.9
154.08630	5.4
157.06471	1.9
161.06000	1.1
161.09576	0.9
162.07631	1.2
163.03882	26.8
163.05984	1.5
164.04219	1.6
165.09099	40.4
166.09500	0.7
169.04945	2.7
175.14803	1.3
177.05527	0.9
177.09077	1.2
180.08655	2.1
187.05940	1.4
189.09119	4.1
193.04861	1.0
201.09048	3.8
201.16296	0.9
205.08517	1.0
207.10129	2.5
215.10652	1.5
231.10161	2.7
241.07118	2.7
243.10126	3.0
243.27968	0.7
258.05203	7.8
259.08102	2.2
261.11166	1.5
277.09018	1.6
286.04688	15.0
294.11420	0.7
301.07028	45.9
355.73831	1.0
422.28738	0.9
440.29932	2.6
477.10388	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.9
57.03417	2.5
67.05497	4.4
69.03416	11.5
70.06546	3.6
70.99590	4.6
71.04999	2.8
72.08121	4.0
79.05492	3.5
81.03426	3.6
81.07043	3.2
83.04954	3.0
84.04489	2.2
84.08123	3.4
85.02894	16.4
86.09702	3.3
87.04447	5.4
91.05458	4.0
93.07046	2.5
95.04955	17.5
95.08574	8.6
97.02871	9.1
99.04465	2.2
101.02369	1.9
103.03958	1.7
105.07025	9.1
107.08556	3.4
108.05730	1.7
109.02808	1.8
111.04406	9.4
115.03970	1.9
116.07078	2.6
117.06982	2.5
119.04921	2.1
119.08553	6.6
121.02876	1.9
121.06444	2.9
122.43214	1.8
123.04372	4.2
123.08051	52.0
127.03925	5.9
129.07011	1.8
131.08551	4.5
133.04965	1.9
133.06465	4.1
133.10127	3.2
134.05991	2.1
135.04396	3.6
135.08060	3.5
136.07597	2.1
143.08549	7.8
145.02946	2.1
145.04996	2.6
145.10100	3.8
147.04404	7.0
147.08031	4.5
156.09322	19.4
156.31285	1.6
157.10074	1.9
159.08080	2.8
159.11678	6.0
161.05946	3.5
161.13239	2.1
163.03912	12.3
165.05508	3.0
169.10034	2.7
171.11633	15.7
172.08839	3.2
173.09601	3.7
173.13231	2.0
175.07628	2.8
177.08336	1.7
177.99492	1.6
181.10127	2.6
184.08871	5.7
187.11166	6.9
189.12746	6.0
193.08662	4.0
197.09639	3.7
199.11151	56.2
205.12128	1.9
215.10614	13.6
217.12199	37.5
233.11745	3.1
243.10248	4.8
261.11188	100.0
262.11566	2.4
273.03833	4.0
279.12225	15.2
297.07382	2.0
301.03403	2.1
301.06876	2.7
440.14047	1.9
458.16138	2.2
476.16452	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.8
55.01854	1.8
55.05506	7.4
57.03428	1.7
57.07058	1.7
67.05497	6.1
69.03419	8.5
69.07057	14.9
69.87009	6.3
70.06558	1.1
71.04987	1.8
79.05471	7.0
81.03400	5.2
81.06657	1.3
81.07050	12.6
83.04931	1.4
83.08604	6.2
85.02895	13.2
86.06034	2.0
87.00820	4.2
91.05467	12.9
92.05804	1.2
93.07040	7.7
94.06544	1.1
95.04946	4.2
95.08597	13.2
96.15257	1.1
97.02872	6.5
98.03168	1.4
99.04440	2.6
99.08061	2.0
101.05920	1.3
105.01848	7.1
105.07020	23.1
106.07298	1.4
107.08588	15.9
109.02858	6.8
109.06487	2.7
109.10123	3.5
115.05456	1.6
116.10731	2.1
117.03319	1.4
117.07007	5.3
119.08567	90.7
120.08925	2.0
121.10130	7.0
122.10471	1.9
123.04440	7.0
123.11649	3.8
124.04789	1.7
125.09624	1.8
126.70073	1.1
127.03902	8.2
131.08517	2.4
133.10114	30.7
134.03172	2.7
135.04413	5.0
135.11647	3.7
137.05945	1.9
137.75197	1.1
145.02823	2.3
145.04922	3.5
145.10074	3.8
146.10728	1.3
147.04330	1.7
147.11681	6.4
151.03914	2.4
151.12636	1.1
159.11690	1.2
160.12277	1.5
161.05873	1.1
161.13237	1.1
163.02637	2.0
163.03905	23.2
164.04181	5.2
173.13376	1.6
175.14807	100.0
176.15179	2.1
181.04970	1.5
193.15831	1.1
201.60460	1.2
214.17989	14.4
249.05986	1.8
258.05252	2.4
286.04599	6.2
301.07001	19.7
313.07071	2.6
314.07291	6.0
314.23138	1.7
329.53860	1.6
334.57297	1.2
384.22849	1.3
390.09552	1.4
476.12558	1.8
476.27298	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.6
53.03920	1.5
55.01840	0.6
55.05274	0.7
55.05504	10.5
56.08857	0.6
56.61280	0.5
57.03431	7.1
57.07063	0.6
57.13778	0.5
62.06062	0.8
63.51855	0.6
65.03916	1.7
67.05492	34.1
68.05819	0.8
69.07053	8.9
69.66560	1.0
69.66970	3.9
71.04965	1.2
79.05479	21.7
81.07042	30.6
82.07380	1.3
83.04964	2.0
83.08614	4.1
83.09046	0.9
85.06523	1.0
87.38361	0.6
91.05458	10.5
92.05782	0.8
93.07027	20.3
94.07369	0.8
95.04949	2.7
95.08587	23.1
96.08900	0.6
97.06538	1.1
97.10133	1.4
98.06036	1.7
98.98442	1.2
105.04471	0.6
105.07004	6.2
106.07367	0.7
107.08581	9.3
109.06503	1.3
109.10137	7.9
117.06968	1.8
119.08545	4.2
121.06464	0.7
121.10101	5.6
123.08065	0.8
123.11686	1.8
124.01611	0.7
131.08549	2.7
133.10056	2.7
135.11696	3.5
137.13133	0.6
145.10077	1.7
147.07990	0.7
147.11620	1.1
149.13220	2.1
149.58954	0.5
159.11612	1.6
161.13104	0.7
163.11153	0.8
173.13252	1.4
187.14635	0.7
216.06287	0.7
304.26318	9.0
305.26477	1.0
335.25739	100.0
336.26016	6.1
340.32068	0.6
415.66821	0.7
448.66983	0.6
476.30847	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	476.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98460	1.8
53.19750	2.3
55.05507	13.3
57.03423	3.9
62.06084	38.0
62.72894	1.7
63.93626	2.3
65.03935	2.4
67.05499	38.0
68.05824	3.0
69.07067	12.6
69.22638	1.9
69.42609	19.9
69.43023	2.5
79.05483	30.4
81.03408	3.3
81.07048	36.0
82.07406	1.8
83.04960	2.4
83.08616	3.7
91.05472	16.3
93.07032	31.7
94.07386	3.0
95.04949	4.7
95.08603	28.0
97.06481	2.5
98.06064	2.4
98.98452	11.7
99.08073	2.0
105.07027	13.3
107.08591	12.9
108.08902	2.2
109.06515	2.5
109.10152	6.5
117.07051	4.3
119.08575	11.2
120.58869	1.9
121.10138	12.9
124.01545	2.3
131.08565	5.9
133.10098	4.9
135.11673	4.5
145.10133	4.2
147.11688	4.7
149.13283	5.9
150.93810	2.0
155.01027	3.0
161.13263	2.1
166.45915	1.9
172.11951	2.3
173.02133	3.3
200.45311	1.9
216.06302	4.1
243.21161	2.9
256.43555	2.3
261.22119	5.3
286.04752	3.1
304.26349	11.4
317.24496	2.0
335.25781	100.0
336.26248	2.7
383.94797	2.2
476.31085	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	477.1021
Annotation	Kaempferide 3-glucuronide
Peak:m/z	Relative Intensity
66.27958	0.2
70.59502	1.0
119.47530	0.3
153.01785	0.5
185.34332	0.3
229.04904	0.4
257.12448	0.2
258.05203	18.1
259.05649	0.4
269.59085	0.3
286.04684	35.0
287.05035	1.1
301.07025	100.0
302.07327	2.9
362.12961	0.3
477.10229	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	477.1021
Annotation	Isoscutellarein 8-O-beta-D-glucuronide 6''-methyl ester
Peak:m/z	Relative Intensity
52.89679	0.1
53.03918	0.2
55.05485	0.3
67.01857	0.8
67.05469	0.7
68.99788	0.4
69.03394	0.7
69.07049	0.4
71.04961	0.3
71.70231	0.3
79.05472	0.7
80.65536	0.2
81.03390	0.5
81.07037	0.9
82.56879	0.2
83.04968	0.3
85.02879	0.9
85.06516	0.2
87.04457	0.2
89.03908	0.6
91.05454	0.8
93.07006	0.8
95.04940	0.5
95.08571	0.6
97.02869	0.7
97.06506	0.3
100.05753	0.2
105.03362	0.2
105.06990	0.5
107.04932	0.6
107.08570	0.5
109.02853	1.0
109.06488	0.4
109.10129	0.4
111.00831	0.2
111.04424	0.2
115.03905	0.2
115.05453	0.2
117.03352	0.9
117.06978	0.3
119.04926	0.3
119.08559	0.4
121.10137	0.4
123.04424	1.1
127.03878	0.3
131.08588	0.3
133.06497	0.2
133.10069	0.3
135.04387	3.6
135.07988	0.3
137.02315	0.8
137.05905	0.5
141.92982	0.2
143.08504	0.2
145.02837	0.9
145.10078	0.2
147.04378	0.7
147.11639	0.2
149.05846	0.2
149.09592	0.3
151.03912	0.3
153.01797	5.8
153.05441	0.2
161.02322	0.9
162.05437	0.3
163.03885	6.4
165.09129	0.3
171.02846	0.7
177.05423	0.4
179.03459	0.3
189.05386	0.3
231.06477	0.3
241.04895	0.6
245.04378	0.5
258.05206	2.5
259.05826	0.2
260.06894	0.2
269.04388	0.6
272.06631	0.2
273.07413	0.2
286.04669	5.8
287.05444	100.0
288.05841	2.8
297.08737	0.2
300.06195	0.4
301.07004	16.1
302.07544	0.4
313.15826	0.2
315.08929	1.2
315.12799	0.2
325.09155	0.4
477.09836	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1022
Annotation	Kaempferide 3-glucuronide
Peak:m/z	Relative Intensity
53.23455	0.0
59.55933	0.0
67.05481	0.1
71.70798	0.1
72.72285	0.0
75.63562	0.0
81.03409	0.0
81.07024	0.1
83.04920	0.0
85.02859	0.2
85.06517	0.0
86.18241	0.0
89.03909	0.1
89.07120	0.1
91.05474	0.1
95.04932	0.1
97.02902	0.1
105.06997	0.1
107.04910	0.1
107.08572	0.1
111.04394	0.0
117.03339	0.1
120.04414	0.0
123.04405	0.1
135.04343	0.2
137.02275	0.1
137.05930	0.1
145.02811	0.1
147.04352	0.1
149.05916	0.2
153.01791	0.5
153.05455	0.1
163.03865	0.9
172.03885	0.1
217.52803	0.0
228.03810	0.1
229.04828	0.5
257.04340	0.2
258.05194	17.1
259.05530	0.5
278.14038	0.1
286.04666	37.4
287.05048	1.3
300.06271	0.1
301.07010	100.0
302.07333	2.5
325.11902	0.1
477.10211	2.6
477.15857	0.1
478.10922	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	477.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30533	0.2
54.53640	0.3
55.05500	0.2
69.03412	0.9
70.56116	0.5
70.56519	0.6
79.05472	0.6
81.03398	0.4
81.07040	0.3
85.02895	0.8
88.82459	0.2
89.03885	1.5
91.05450	0.5
95.04936	0.3
97.02879	1.3
98.20808	0.4
98.43769	0.2
99.04404	0.3
107.04942	1.4
107.08539	0.3
109.02854	0.3
117.03374	2.4
119.04894	0.3
121.10103	0.3
123.04416	2.0
130.34946	0.2
131.04941	0.2
131.08444	0.3
135.04391	5.1
136.04781	0.3
137.02373	0.5
137.05939	1.3
139.91664	0.3
145.02840	3.6
146.03174	0.3
147.04381	0.7
149.05936	0.5
153.05444	0.9
161.05962	0.6
163.03883	28.4
164.04211	0.9
181.04941	0.6
202.15994	0.2
229.04848	0.4
231.06425	0.3
251.07178	0.3
258.05206	15.8
259.05505	0.4
269.04184	0.3
286.04672	33.4
287.05029	1.7
301.07019	100.0
302.07346	6.0
315.05054	0.4
325.09119	1.4
477.09885	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	477.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36847	0.5
53.03922	0.6
54.09949	0.5
67.05475	1.0
69.03418	3.8
70.06562	1.8
71.01339	0.8
71.70563	0.6
72.08125	1.1
74.06056	0.7
79.05466	2.9
81.03378	1.6
81.07042	0.8
83.04966	0.8
84.04485	1.8
84.08129	1.5
85.02903	2.8
85.06499	0.7
86.09683	1.5
89.03902	8.0
89.07138	0.6
91.05452	1.3
93.07027	0.9
95.04938	1.2
95.08555	0.8
97.02873	4.3
99.04423	1.1
103.05434	1.0
105.07013	0.8
107.04928	4.6
107.08525	0.6
109.02859	1.1
109.10148	0.5
111.04476	0.8
115.05420	0.6
117.03350	7.3
119.04955	1.6
119.08557	0.9
120.08106	0.8
121.02848	0.5
121.10107	0.5
123.04414	13.4
127.03898	1.6
129.10194	1.0
131.04906	0.9
133.02893	0.5
135.04395	19.8
137.02324	2.4
137.05981	2.1
138.05412	0.7
141.06966	1.2
145.02824	11.7
147.04388	4.1
149.05983	1.2
151.03935	0.6
152.07030	1.1
153.05461	1.2
161.05981	1.4
163.03877	100.0
164.04231	2.4
165.05510	1.2
169.04893	0.8
169.06427	1.0
169.52597	0.6
173.05997	0.9
177.05452	1.7
181.04910	1.4
181.06415	0.5
189.05420	0.9
197.06015	0.9
201.05431	1.2
205.06522	0.6
215.07069	1.4
215.13797	0.6
223.07541	1.1
231.06555	0.7
233.05838	0.6
243.06355	1.2
251.06987	1.5
261.07578	1.9
269.08090	0.9
279.06424	1.9
287.09088	0.7
297.07520	2.8
301.07169	0.9
315.08704	0.7
325.09180	2.6
349.49750	0.5
459.12671	0.7
477.23282	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.8
53.63105	0.9
69.03407	2.7
69.62337	8.1
71.04940	1.1
79.05465	2.0
81.03397	1.9
81.07072	0.9
85.02901	1.4
87.84013	0.8
89.03896	7.2
93.07012	1.1
97.02855	4.4
107.04936	3.1
111.04435	1.2
117.03363	8.6
123.04410	8.5
135.04395	19.1
137.02348	1.6
137.05937	1.4
141.07024	1.3
143.04832	1.2
144.73366	0.9
145.02823	10.8
147.04395	1.3
153.05461	3.2
161.06058	1.0
163.03883	100.0
181.04929	1.0
189.05568	1.1
215.07010	1.3
243.06586	1.2
261.07623	1.4
264.38641	1.1
309.73541	1.2
325.09125	4.7
476.33054	9.6
477.33136	22.2
477.40070	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1747
Annotation	Isoscrophularioside
Peak:m/z	Relative Intensity
53.03926	2.2
55.01868	1.5
57.03415	1.0
60.04504	2.2
65.03918	0.9
69.03411	3.6
69.72160	2.6
69.72595	3.6
77.03936	0.9
79.05470	3.8
81.03397	3.4
84.53493	0.9
85.02894	4.2
91.05474	9.8
93.07023	19.1
94.29185	0.8
94.50047	0.8
95.04958	5.5
97.02899	1.9
98.20721	1.7
99.04374	1.0
103.05441	3.4
105.06996	3.1
107.04922	1.0
109.02893	0.9
111.08046	1.6
119.04888	0.9
121.06488	31.3
122.82706	0.9
123.04375	2.2
131.04910	11.0
132.05690	3.1
133.06473	13.7
137.05949	2.1
139.07552	1.2
145.06427	2.2
147.04372	4.4
147.06448	0.9
149.05954	100.0
150.06311	1.2
151.07498	2.2
161.06001	2.0
163.03883	1.3
165.05440	3.2
165.06781	1.7
167.07019	14.9
180.09248	1.0
183.06473	1.8
208.08951	0.9
223.11092	4.0
251.10504	4.3
263.93042	0.9
264.07593	1.3
268.95828	1.0
269.11667	3.6
279.09991	4.5
280.10513	1.0
293.10147	3.1
297.11145	4.9
315.12140	2.9
403.43326	1.0
459.16315	1.7
477.17181	3.0
477.28488	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.6
55.01871	15.4
55.05238	4.0
55.05501	67.9
57.03430	17.6
59.04964	3.0
63.59743	3.4
64.01389	3.1
64.38625	3.5
67.05498	69.6
69.03412	9.3
69.06420	3.3
69.07060	15.9
69.90099	21.9
71.04977	5.8
79.05481	74.6
81.03006	4.0
81.03413	53.1
81.06615	4.5
81.07049	55.7
83.04951	10.8
83.08607	31.9
85.02877	5.5
85.06528	5.7
91.05471	50.3
93.07034	40.9
95.04951	39.4
95.08587	30.9
97.02848	2.9
97.06549	6.8
97.10155	61.8
98.20764	5.1
105.07008	45.4
107.04940	43.8
107.08575	39.8
109.06499	11.4
109.10165	17.3
111.08077	11.7
115.05373	5.2
117.07018	16.4
119.04910	3.5
119.06074	3.3
119.08585	28.1
121.06487	39.9
121.10107	9.8
123.04417	4.5
123.08040	8.8
124.84566	3.2
125.09603	42.1
128.06198	4.4
129.06979	22.0
131.04901	5.6
131.08559	28.8
133.06479	17.5
133.10074	14.4
135.04385	3.8
135.08025	17.9
135.11685	6.3
137.09612	4.7
141.06969	7.8
143.08537	11.9
145.06476	25.1
145.10130	16.6
147.04384	7.8
147.07970	15.1
147.11665	12.9
149.09560	9.6
153.09099	7.1
153.12735	5.4
153.20181	3.8
155.08553	7.9
157.06427	6.2
157.10091	17.2
159.08029	6.2
159.11691	3.5
161.05977	3.9
161.09618	7.7
163.11160	6.2
169.06303	3.1
169.10129	7.2
171.08063	5.4
171.10233	5.8
171.11647	8.3
173.05919	3.9
175.11211	6.6
177.12720	5.3
185.09595	6.9
185.13249	6.7
187.14876	4.2
189.09544	4.1
189.11172	24.6
189.12695	6.0
190.93657	3.2
193.12193	30.8
195.11568	7.5
197.13147	5.5
199.11111	7.0
201.12772	3.4
205.12222	3.2
205.15851	3.0
211.11131	6.0
211.13255	8.8
215.14313	10.7
217.12292	3.6
219.98012	3.2
223.11234	3.5
227.12704	23.6
231.13718	5.1
233.15376	26.2
235.13150	3.7
237.12708	4.8
241.14305	4.4
245.15367	5.4
255.13753	7.2
257.82272	3.1
267.15912	18.0
273.14807	21.6
289.17886	4.0
291.15860	4.1
336.39655	3.3
339.23114	12.3
341.20850	3.8
349.21750	16.3
357.24191	15.8
367.22623	42.1
375.25012	5.0
385.23676	100.0
403.24796	35.4
433.25833	10.4
441.26447	3.5
459.27338	94.9
471.66858	3.8
477.28378	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	7.7
55.01868	17.9
55.05504	70.9
57.03427	16.6
58.84960	2.1
59.04993	4.2
59.87388	2.4
65.03911	6.3
67.05135	4.8
67.05491	78.6
69.03426	11.7
69.07056	17.8
70.07013	11.7
71.04968	9.1
79.05487	78.9
81.03407	84.0
81.07043	64.0
81.07391	1.3
83.04984	20.8
83.08612	40.7
85.02911	14.0
87.04475	2.5
91.05464	72.3
93.07025	47.8
95.04954	42.4
95.08588	29.7
97.02873	4.4
97.06507	12.3
97.10155	46.2
98.20699	3.1
105.07014	47.9
107.04945	45.6
107.08583	35.0
109.06510	15.9
109.10149	17.7
111.04425	6.3
111.08052	11.8
115.05437	4.8
117.06992	18.2
118.05611	2.7
119.04910	7.4
119.08558	34.4
121.06500	26.9
121.10126	11.2
123.04425	3.3
123.08053	13.2
123.11681	5.9
125.05946	5.0
125.09618	36.3
128.06271	4.1
129.06996	26.3
130.88600	2.6
131.04898	7.4
131.08554	23.0
131.50708	2.6
132.67039	2.7
133.06476	16.5
133.10112	19.9
135.08015	13.3
135.11659	3.7
137.05959	3.2
137.09540	3.6
141.06981	5.9
142.07736	5.1
143.08566	12.9
145.06468	20.7
145.10098	11.4
147.04399	13.3
147.07982	13.3
147.11662	22.1
149.09586	9.2
149.13248	3.7
153.09059	12.2
155.08540	8.8
157.06451	7.7
157.10089	22.5
159.08017	8.4
159.11678	7.4
161.05988	6.5
161.09627	4.5
163.11145	7.2
165.12726	5.1
169.10039	7.1
171.08003	7.4
171.10359	2.9
171.11668	8.6
173.09624	4.0
175.11131	16.4
181.10063	4.2
185.09537	3.4
185.13187	4.7
187.11118	3.4
187.14795	3.9
188.33472	2.4
189.11191	32.2
189.12733	6.0
193.12210	56.0
195.11652	4.9
197.09525	3.5
197.13243	5.9
199.11067	4.2
201.12767	3.5
203.14233	3.9
205.12111	5.6
209.09636	3.7
211.13220	26.5
213.12756	6.1
215.14282	7.4
217.12270	5.1
223.13148	4.2
227.12665	14.7
231.13661	4.5
233.15277	20.9
235.13176	2.9
237.12726	4.0
241.14297	6.3
243.13776	4.7
245.15408	4.6
249.14755	3.9
255.13750	4.7
259.13232	4.1
267.15915	25.0
269.15405	2.7
273.14856	22.0
275.16455	3.8
276.12973	2.3
291.15961	4.1
301.07193	3.2
321.21890	3.7
339.23203	11.6
341.20938	5.2
349.21515	17.5
355.97531	2.8
357.24048	13.2
367.22668	59.3
368.22910	4.0
385.23685	100.0
386.23987	3.5
403.24802	35.3
433.25848	7.6
441.26328	11.5
459.27353	89.9
477.28348	73.2
478.28616	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03185	3.7
53.03926	10.0
55.01863	14.2
55.05504	52.2
57.03428	17.5
59.04987	5.4
61.38351	2.5
63.52612	2.7
65.03919	5.7
65.19908	2.4
67.05139	4.8
67.05492	78.7
68.41918	2.9
69.03420	7.5
69.07067	23.4
69.51890	21.7
69.52299	4.9
71.04974	10.4
79.05482	86.1
81.03406	66.1
81.07043	84.4
81.07523	1.9
81.71147	2.4
83.04981	29.7
83.05436	5.2
83.08156	3.8
83.08613	36.8
85.02904	16.5
85.06506	4.7
87.78429	2.8
91.05467	100.0
92.05820	3.7
93.07031	62.4
95.04949	34.1
95.08595	33.4
97.02872	6.5
97.06503	16.3
97.10164	24.3
99.08076	8.5
100.41336	2.9
105.06336	4.2
105.07013	62.6
107.04937	30.6
107.08582	30.8
109.06482	10.6
109.10117	13.2
111.04443	3.7
111.08052	11.3
113.00049	3.5
115.05431	5.9
117.07015	20.1
119.04866	5.6
119.08558	43.1
121.06510	15.2
121.10110	12.7
123.08033	8.1
123.11671	9.2
125.09615	18.3
129.06982	27.1
131.04939	2.9
131.08556	34.8
133.06483	9.9
133.10100	35.2
134.01778	2.8
135.08043	5.5
135.11667	9.7
137.09642	2.9
141.06912	6.7
142.07724	6.9
143.08534	11.4
145.06464	8.5
145.10083	17.9
147.07982	7.7
147.11629	21.7
149.09578	10.7
149.13217	11.6
151.11142	4.2
155.08504	11.8
157.06487	4.4
157.10083	24.1
159.07925	3.7
159.11682	7.9
163.03848	7.0
163.11142	15.2
165.12779	5.4
167.08513	3.5
168.09363	3.2
169.10077	6.6
171.08009	5.7
171.11612	11.8
173.09555	5.9
173.13185	3.8
175.11195	19.1
181.10066	5.4
183.11714	3.1
185.13206	3.5
187.13242	3.4
189.11194	10.1
193.12213	47.9
195.11769	2.9
195.13641	4.3
197.13301	3.2
199.11038	3.3
209.13269	3.3
211.13269	28.1
215.14355	4.9
217.12083	3.9
225.12721	3.8
227.12718	11.2
233.13229	3.7
233.15329	8.4
235.13095	5.5
237.12614	4.1
239.14183	2.8
267.15881	38.9
268.16257	2.9
273.14877	3.1
291.19513	4.1
301.07047	9.0
339.23300	4.7
349.21536	9.0
357.24048	6.1
357.46503	2.6
367.22604	23.9
385.23788	29.2
403.24762	8.3
433.25800	3.6
441.26343	10.1
459.27435	57.0
459.33966	2.6
460.27466	3.6
477.28394	80.3
478.28699	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	477.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	2.1
51.24018	1.7
53.03170	3.4
53.03920	7.8
55.01865	16.7
55.05505	40.8
56.96566	9.4
57.03431	13.7
57.07061	3.2
59.04976	3.8
61.02899	6.7
65.03898	5.7
65.66212	2.0
67.05499	79.4
68.05810	1.9
69.03398	5.7
69.06749	3.0
69.07064	27.4
69.59795	5.8
69.60215	10.8
71.01337	2.8
71.04963	8.3
73.02904	3.9
73.08720	2.0
79.05026	3.4
79.05486	75.4
81.03401	20.1
81.07045	100.0
83.01329	9.0
83.04974	23.8
83.08603	24.8
85.02902	10.0
85.06521	5.2
89.99323	1.6
91.03911	2.4
91.04923	3.1
91.05472	53.0
92.05736	2.6
93.07037	87.8
94.07326	3.7
95.04491	1.8
95.04964	19.7
95.08590	35.2
97.02846	5.6
97.06514	15.9
97.10163	4.1
98.97623	2.0
99.04442	3.5
99.08077	2.4
105.07003	27.8
107.04946	10.6
107.08585	47.2
108.08913	2.6
109.06540	9.4
109.10123	8.4
111.04416	5.4
111.08048	9.2
117.07011	21.5
119.08575	17.5
121.06458	6.2
121.10139	28.5
122.10461	2.0
123.08079	10.9
123.11689	3.9
125.05955	2.6
125.09588	3.9
128.98550	2.9
129.06987	5.5
130.07799	3.0
131.08551	18.0
133.10100	14.6
135.08020	6.4
135.10774	2.3
135.11687	26.6
137.09650	2.8
143.08551	2.9
145.10080	20.1
146.99519	2.0
147.07994	2.6
147.11650	7.1
149.13245	32.7
153.12709	4.4
155.08621	3.0
159.11674	16.7
161.13319	2.4
161.29256	2.1
163.03865	3.5
163.11172	36.1
171.11668	2.3
172.11893	2.3
173.09573	4.6
177.12683	6.6
181.12236	6.0
191.10587	3.5
195.13777	17.3
203.05772	2.2
207.13753	7.0
209.11754	9.2
213.14763	2.4
217.07469	3.0
227.12762	9.3
252.73740	1.9
255.08920	4.2
269.10486	3.4
273.09982	2.2
279.94339	2.1
281.10583	10.0
281.17404	5.5
285.10144	2.1
287.11682	2.7
299.11584	8.3
301.07028	4.7
316.11572	4.1
322.11688	10.5
331.15814	3.3
349.16782	8.5
365.15305	3.3
367.17834	7.4
367.22394	3.6
385.23590	6.3
436.18219	2.3
459.27179	4.5
477.28369	71.4
478.28595	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	477.3568
Annotation	25-Methyldolichosterone
Peak:m/z	Relative Intensity
51.02377	3.1
51.04277	3.1
55.01867	17.8
55.05269	4.0
55.05505	47.6
56.96557	6.1
57.03416	9.6
57.07053	3.9
59.04993	3.8
60.82306	2.7
61.02902	7.2
65.03933	4.7
65.59163	3.2
67.05495	75.2
69.03416	10.8
69.07061	37.1
71.04977	8.5
71.71135	3.8
71.71542	5.0
79.05480	70.6
81.03413	26.1
81.07046	83.6
82.07377	4.1
83.04972	24.2
83.08601	31.5
85.02897	9.5
85.06522	3.0
91.05472	61.1
93.07031	95.7
95.04943	20.9
95.08591	64.7
97.02872	9.1
97.06510	17.0
97.10172	19.7
99.08073	4.2
105.07012	58.4
107.04954	18.5
107.08581	70.1
108.08891	3.5
109.06503	8.5
109.10145	30.8
111.08057	13.9
111.63470	3.2
117.06989	18.5
119.08569	57.6
121.06506	16.9
121.10127	79.7
122.10558	3.4
123.08067	11.9
123.11675	18.1
124.55779	2.8
125.06023	2.8
125.09617	16.2
127.03899	3.2
129.06984	11.0
130.07758	4.4
131.08542	26.4
133.10110	42.6
135.04425	7.5
135.08034	9.3
135.11678	42.4
137.09593	4.5
139.07497	16.4
139.11151	8.2
143.08534	15.0
145.06496	3.8
145.10112	34.3
147.08067	5.5
147.11661	28.5
149.09554	11.9
149.13213	20.2
153.12755	4.7
155.08514	5.7
156.09360	3.4
157.06551	3.4
157.08661	7.7
157.10121	19.8
159.08069	3.5
159.11674	27.8
161.13206	15.6
163.03908	16.8
163.11166	20.5
163.14832	5.8
165.12717	3.8
167.10681	9.7
169.10013	3.8
171.08086	4.0
171.11679	14.1
173.09644	5.5
173.13228	14.2
175.11119	6.9
175.14792	8.3
177.12665	7.1
177.16457	3.2
181.10072	4.1
181.12244	5.4
183.11638	8.0
185.13223	12.3
187.14827	16.7
189.11209	6.4
189.12744	3.9
189.16350	7.9
191.14314	6.5
191.17886	3.7
193.12233	9.0
195.13733	14.6
197.13254	8.5
199.14758	8.7
201.16342	28.0
203.17937	35.0
205.12140	5.0
205.15912	4.3
209.11685	6.8
213.12788	4.4
213.16374	11.1
215.17993	5.0
225.16429	5.9
227.12759	12.5
227.17870	14.0
229.19359	3.8
233.15381	39.0
243.08948	3.7
251.16342	25.7
258.05283	4.8
261.18527	3.8
267.15851	8.8
269.17462	4.5
269.22690	18.0
273.14877	3.6
281.10611	4.2
284.12943	4.8
286.04675	13.0
301.07019	36.2
302.07321	4.1
327.23013	3.7
331.15594	9.0
349.16925	22.2
349.20935	4.9
356.14743	3.9
358.66611	3.5
365.15256	10.9
367.18118	4.2
367.22513	6.0
385.23651	12.7
389.26880	5.0
403.24774	6.6
405.31091	7.1
423.32449	30.5
441.33618	100.0
459.27219	22.3
459.34433	9.7
477.28397	55.3
478.28381	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	478.2921
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03931	2.4
55.05503	16.2
57.03422	4.9
57.07057	2.3
62.06078	28.4
67.05494	33.3
69.07059	22.9
71.43883	4.2
79.05471	11.4
81.07040	36.3
83.08588	9.5
91.05447	7.6
93.07011	10.2
93.08289	2.4
95.08583	25.1
97.10152	3.8
98.06042	5.2
98.98442	11.0
105.06993	7.7
107.08589	10.2
109.10122	9.2
119.08569	3.2
121.10094	4.9
122.57691	2.0
123.11690	4.4
124.01608	2.3
127.76079	1.8
128.20834	2.1
131.08446	2.5
135.11598	2.0
142.02583	2.4
147.11659	4.0
149.13164	2.2
155.01018	7.4
163.11180	2.4
175.82901	2.1
190.95570	2.1
198.05153	3.5
216.06255	2.2
263.23666	7.3
277.48831	1.9
279.00311	2.1
306.27887	74.0
306.31403	4.3
337.27310	100.0
338.27734	3.6
350.60803	2.1
355.33081	2.2
460.27798	6.2
461.26697	5.1
478.28928	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	479.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93705	5.2
59.63351	4.4
70.41186	5.1
70.73940	6.7
70.74288	7.8
80.86372	4.3
89.46934	4.4
94.92981	15.5
96.89541	4.1
117.19742	4.3
119.01862	9.4
121.16545	4.4
136.94009	100.0
148.93947	11.2
166.95108	32.8
172.95137	12.0
196.95039	7.2
196.98987	6.5
202.89238	11.6
214.96297	12.6
214.99734	12.4
248.89774	5.8
256.98224	21.9
285.45828	4.5
317.03104	6.1
345.04337	18.9
367.10593	6.3
381.08014	73.0
419.03439	55.1
479.05164	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	479.0813
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
55.05505	0.3
57.03419	0.2
67.05501	0.3
68.99775	0.3
69.03419	0.5
69.07031	0.2
70.06567	0.3
70.95283	0.2
70.95626	0.5
73.02895	0.3
74.09620	0.2
79.05477	0.5
81.03416	0.2
81.07046	1.1
85.02882	1.0
85.06529	0.2
86.09705	0.2
89.03899	0.3
91.05462	0.2
93.07026	0.3
94.68071	0.2
95.01308	0.5
95.04929	0.3
95.08612	0.3
97.02884	0.2
107.04943	0.2
107.08591	0.2
109.02843	0.3
109.06537	0.3
111.00777	0.2
111.08112	0.2
117.03346	0.3
119.04905	0.2
120.08076	0.2
121.02831	0.4
123.00779	2.8
127.03884	0.3
135.04395	2.3
137.02316	1.7
141.01790	0.5
147.04411	0.3
151.03801	0.3
153.01808	2.8
155.04785	0.2
163.03885	0.2
163.07559	0.1
164.07053	0.3
165.01756	0.3
169.01288	2.1
173.06052	0.2
175.07397	0.2
187.02324	0.2
187.04002	0.2
201.05463	0.3
205.04791	0.2
229.04901	1.1
257.04419	2.8
259.06042	0.6
259.47101	0.1
261.03909	0.4
268.69583	0.2
275.05426	0.7
285.03955	2.9
287.05612	0.3
302.04321	0.2
303.04944	100.0
304.05316	3.0
362.70386	0.2
479.08209	1.9
479.15424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0818
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
52.43930	0.1
53.03916	0.1
55.01840	0.1
65.03887	0.3
67.01814	0.2
67.05450	0.1
68.99773	1.0
69.03368	0.2
70.06567	0.1
71.01311	0.1
71.33092	0.2
73.02876	0.2
76.95486	0.1
81.03393	0.4
85.02893	0.4
86.09669	0.2
91.05431	0.2
93.03335	0.3
93.06997	0.1
95.04912	0.3
97.02848	0.2
99.04405	0.1
105.03356	0.1
105.06953	0.1
107.04898	0.1
109.02856	0.6
110.03644	0.1
111.00801	1.3
111.04375	0.1
119.04907	0.1
121.02068	0.1
121.02842	1.4
123.04378	0.3
124.02158	0.1
127.03850	0.3
131.04875	0.2
133.02798	0.1
133.06430	0.2
135.04340	0.3
137.02321	4.3
137.03316	0.2
137.05917	0.1
145.02798	0.1
145.04828	0.1
145.06427	0.3
147.04288	0.1
149.02351	0.6
153.01804	5.4
154.02156	0.1
155.04883	0.4
157.06361	0.1
159.04276	0.1
161.05971	0.5
163.03888	0.8
165.01817	2.5
166.02554	0.3
171.02936	0.1
173.05943	0.7
177.01852	0.1
177.05374	0.2
179.03316	0.2
183.02826	1.1
183.04367	0.5
187.03822	0.6
190.66357	0.1
191.03445	0.2
191.06963	0.1
195.02837	0.3
201.03658	0.2
201.05443	2.5
203.07014	0.1
205.04889	0.3
207.02785	0.1
211.03922	0.1
213.05467	0.1
215.03296	0.1
219.02800	0.2
219.06525	0.4
228.04105	0.2
229.04922	5.7
230.05251	0.2
239.03586	0.2
241.09233	0.1
245.04420	0.1
246.05197	0.1
247.06000	1.0
257.04419	3.3
258.04990	0.2
274.04727	0.9
275.05505	0.2
285.03906	1.7
286.04715	0.1
302.04062	0.1
303.04947	100.0
304.05301	3.2
304.08902	0.1
317.06619	0.1
348.10953	0.1
479.08209	2.5
479.15341	0.1
480.08289	0.2
500.91129	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	479.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79931	1.4
56.61267	1.5
56.96555	21.8
57.03425	3.8
58.52614	1.3
61.02893	2.6
64.07660	1.6
69.03412	8.5
69.89734	7.9
73.02914	2.5
75.94235	1.6
79.05468	2.7
81.03408	5.9
83.04955	4.3
84.96014	16.9
85.02882	15.9
87.04453	2.9
91.05452	1.5
94.21631	1.3
97.02885	10.9
98.97566	98.5
99.04498	1.8
99.97910	1.7
107.04926	5.5
109.02848	3.7
110.97549	28.5
110.98270	2.0
111.04433	5.2
112.99142	4.0
116.07038	1.7
116.98608	55.5
119.01884	5.7
123.04477	1.7
124.99068	1.7
127.03912	3.5
128.98599	42.7
131.00165	5.0
131.01881	2.2
133.03456	2.0
134.99626	16.1
135.04381	3.9
136.99101	3.6
137.05975	1.4
140.98567	2.1
143.00156	8.8
143.01897	3.9
144.98016	3.0
145.03481	1.9
145.04926	3.1
146.99606	26.4
148.07460	2.0
149.01248	3.0
149.02834	1.6
151.93881	1.5
152.05624	2.0
153.05450	3.7
155.00108	10.5
155.01889	3.0
157.03481	1.7
158.99637	44.9
161.01163	8.8
161.02965	5.7
162.99236	1.8
163.03922	5.0
165.00670	3.2
166.08687	2.3
167.00148	4.2
169.01764	2.0
170.99631	28.2
171.04993	4.9
173.01201	11.4
173.02820	2.8
174.99123	1.8
175.02585	1.6
177.00685	47.5
177.04063	1.7
178.04872	2.3
179.00208	1.8
179.02245	3.5
181.01665	3.0
181.04973	10.4
183.04944	1.9
185.01202	9.3
185.02769	3.1
185.06563	2.1
189.00688	36.5
191.03835	4.6
193.01735	1.8
194.99695	2.7
195.01720	3.9
197.01274	5.1
199.02760	3.6
200.02274	3.0
200.04274	3.5
201.00661	7.8
201.06070	1.7
203.02197	5.3
203.04008	4.1
203.07698	2.5
207.01727	4.1
209.01176	6.7
211.02652	3.9
213.00757	7.3
215.02234	2.1
216.98746	1.7
219.01726	75.7
221.01376	3.6
221.05063	4.2
223.02809	1.8
225.00734	2.1
226.55693	1.7
227.02237	11.1
231.01746	23.0
233.03329	2.1
237.00856	3.7
237.02789	100.0
238.03133	4.0
239.02145	11.1
241.04059	3.8
242.03372	2.5
245.03198	3.1
249.02785	13.4
251.02344	2.2
255.03880	5.7
257.03271	30.3
257.05753	2.5
260.04361	2.1
261.02750	5.0
269.03259	6.7
273.02829	11.8
275.04355	46.5
279.03754	11.4
279.09158	2.7
281.03394	2.0
285.02609	2.4
286.07916	2.0
290.06476	13.9
291.03772	18.9
293.05411	5.5
299.04337	37.1
303.04053	8.3
305.10880	6.9
311.04288	5.2
317.05429	18.4
318.54565	1.5
321.04889	2.9
329.05447	10.0
329.14835	1.5
351.06058	1.7
351.11261	3.4
359.06375	5.3
406.86877	1.6
419.08640	45.5
437.09631	88.0
460.11542	2.0
479.10596	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.118
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03920	0.5
55.01855	0.7
55.05495	0.4
55.45199	0.2
57.03426	1.0
61.02916	1.5
65.03916	0.4
67.05472	0.4
68.99783	0.2
69.03421	4.5
69.07041	0.4
70.06559	0.7
71.04965	0.7
71.70038	0.3
73.02888	0.7
79.05460	0.5
81.03403	2.3
81.07032	0.7
84.04487	0.2
85.02893	10.7
85.06542	0.4
86.09675	0.6
87.02688	0.2
87.04465	0.5
91.03928	0.6
91.05460	0.5
92.02612	1.2
93.03393	1.4
93.07025	0.9
95.04935	0.4
95.08577	0.6
97.02883	4.1
99.04429	0.8
103.62087	0.2
105.07010	0.6
107.08551	0.3
109.02855	1.5
109.06464	0.3
109.10123	0.2
111.00778	0.3
119.08549	0.3
120.08097	0.5
121.02824	1.1
121.10123	0.5
122.09648	0.5
123.04431	0.3
126.03117	0.5
127.03889	1.9
134.08151	0.4
134.09570	0.2
135.04385	0.5
135.08064	0.3
135.11668	0.3
136.07610	0.5
137.02290	0.3
137.05957	0.2
139.03885	0.9
139.06404	0.2
142.44862	0.2
145.02870	0.2
145.04932	1.4
145.06546	0.2
147.04407	1.3
149.05992	0.3
151.03857	1.0
153.01807	9.5
158.09641	0.3
161.13295	0.2
163.03886	1.5
164.04167	0.3
164.07042	0.6
165.01820	0.7
166.02596	0.2
173.06017	0.3
176.10599	0.3
177.05453	0.5
183.02919	0.3
186.09142	1.1
200.04602	0.3
201.05431	0.8
202.08592	0.6
203.03337	0.7
213.12349	0.2
217.04906	0.8
218.05696	0.6
222.11177	0.3
228.04147	1.5
229.04924	3.7
229.09755	0.3
231.02861	0.5
233.04536	0.2
245.04477	1.6
246.05214	1.9
256.03622	0.4
257.04446	3.2
257.09140	0.4
257.12900	0.2
260.03217	0.4
261.07532	0.3
273.03915	2.1
274.04678	4.2
284.03122	0.3
285.03912	4.5
286.04593	0.5
288.05350	0.4
301.06955	0.6
302.04172	13.1
302.07098	0.5
303.04700	0.9
303.07706	0.7
317.06512	100.0
318.06891	2.4
329.06668	0.4
359.07498	0.3
373.13492	0.3
479.17319	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01858	1.6
56.85393	1.9
57.03419	3.4
58.21188	1.5
67.05508	2.1
69.03413	10.3
71.05006	1.7
71.48991	1.7
71.70883	2.4
75.04464	7.1
76.21608	1.9
79.05479	8.2
81.03401	3.5
81.07034	5.6
85.02893	10.3
86.09677	2.4
87.04468	4.5
89.03903	7.1
91.05468	8.0
93.07025	35.0
95.04954	4.6
95.08601	4.9
97.02879	11.0
97.06532	2.0
105.07001	5.7
107.04939	4.2
107.08559	4.0
109.02856	3.2
109.06512	2.8
109.10130	3.1
111.08064	6.6
113.01138	1.9
115.03919	3.5
117.03363	7.6
119.08594	3.6
121.06454	1.9
121.10123	44.5
123.04446	2.9
123.07993	1.9
123.11684	2.1
127.03826	4.4
133.04889	2.7
135.04399	20.8
137.05972	3.7
139.11136	9.7
145.02847	11.2
145.04868	2.7
145.10193	2.1
147.04385	3.7
149.05821	2.5
149.09589	5.4
151.07512	3.9
155.08542	1.8
161.06000	3.3
163.03880	100.0
163.33063	1.7
163.34724	1.9
164.04211	4.8
165.05489	5.4
167.10658	19.8
179.07037	2.9
191.06963	2.2
203.07062	3.9
236.13826	1.7
245.07965	3.3
263.09180	3.5
302.04269	4.3
303.04932	4.2
314.12512	2.1
317.06546	13.3
317.11398	3.3
479.15930	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2398
Annotation	Oblongixanthone C
Peak:m/z	Relative Intensity
53.03955	2.9
55.01856	4.8
55.05503	19.8
57.03424	8.5
60.12199	1.2
62.11777	1.2
65.03924	1.9
67.05498	42.8
69.03411	3.1
69.06734	1.8
69.07059	20.5
71.04974	3.5
71.08622	17.9
71.70484	1.5
75.33233	1.1
79.05482	30.2
81.03412	15.9
81.07047	47.1
83.04983	7.3
83.08611	14.3
85.02899	8.0
85.06503	2.1
85.57779	1.5
91.05476	21.9
93.07029	28.3
95.04951	13.6
95.08587	17.1
97.06512	5.7
97.10157	6.6
99.08091	10.2
105.07013	17.4
107.04933	7.7
107.08575	17.2
108.64871	1.3
109.06496	3.9
109.10157	7.5
111.04456	1.7
111.08055	5.5
111.11709	1.4
113.00005	74.8
113.05977	1.5
117.06983	5.2
119.08581	10.4
121.06480	5.8
121.10155	8.8
123.08046	3.1
125.09615	5.3
129.06979	5.0
131.08557	8.5
133.06450	1.7
133.10129	12.9
135.08008	2.3
135.11702	5.9
145.10109	3.6
147.07988	2.8
147.11639	5.4
149.09612	3.4
149.13223	12.0
151.11145	4.4
153.09076	2.3
157.10089	4.0
159.11693	7.0
161.09523	1.4
165.12695	2.3
169.02592	18.3
175.11131	4.2
177.12791	6.5
179.10695	1.8
185.70818	1.4
187.03615	5.9
189.11183	2.3
193.12213	14.6
195.13811	4.3
203.35609	1.3
211.13271	16.8
227.12791	2.1
239.58757	1.3
265.21582	2.1
267.15805	4.3
275.19983	10.4
293.21075	100.0
294.21384	2.9
349.23834	3.1
367.24765	46.5
369.23932	1.5
387.24451	1.8
419.00208	1.2
429.20221	4.1
443.21893	30.1
443.27716	1.2
461.22833	17.1
461.28775	4.0
479.30103	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12295	1.9
53.03936	9.1
55.01862	7.2
55.05502	30.3
57.03439	12.1
57.07072	3.6
65.03919	4.6
67.05496	83.3
69.03401	3.5
69.07054	30.7
71.04990	9.6
79.05024	4.0
79.05483	61.0
81.03411	44.4
81.07046	100.0
83.04973	16.1
83.08606	29.7
85.02898	26.0
85.06535	7.5
88.97527	1.7
91.05468	63.3
93.07031	69.6
95.04962	34.6
95.08600	29.8
97.02913	3.3
97.06519	14.0
97.10150	6.7
99.08101	4.0
105.07022	39.9
107.04973	6.2
107.08588	38.0
108.08978	1.9
108.70498	2.3
109.06518	8.2
109.10159	8.0
111.04450	4.1
111.08081	15.0
113.05994	2.5
115.05414	2.1
117.07002	11.4
119.08562	21.8
121.06499	3.4
121.10129	25.4
121.11525	1.9
123.08076	4.4
123.11701	4.4
125.09637	3.9
128.06261	2.3
129.06992	13.5
131.08548	24.5
133.06482	2.5
133.10114	22.0
135.08044	4.7
135.11673	7.5
137.09550	2.8
139.11166	2.9
142.07779	2.4
143.08551	3.5
145.10103	4.8
147.08064	4.6
147.11668	16.3
149.09648	6.6
149.13232	30.6
151.11188	3.0
155.87401	2.0
157.10091	12.9
159.11681	12.8
165.12776	4.9
175.11200	11.4
177.12764	5.6
193.10439	1.5
193.12207	50.1
195.13850	14.7
211.13277	51.0
259.40057	2.0
267.15961	7.0
279.16653	2.0
343.22641	2.3
369.24335	5.4
387.24945	4.3
403.26453	5.8
461.28821	9.5
476.55588	2.1
479.30081	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.1
55.01856	6.8
55.05502	29.5
57.03429	12.9
57.07053	3.0
65.03930	3.9
67.05498	77.5
69.03422	3.6
69.07063	25.9
70.83984	1.6
70.84348	5.4
71.01314	1.6
71.04972	8.5
72.81424	1.3
73.06518	1.4
79.05479	64.1
80.79532	1.3
81.03406	47.1
81.07044	100.0
83.04966	17.1
83.08610	30.7
85.02888	23.4
85.06547	5.1
91.05470	59.4
93.07031	63.0
95.04957	27.6
95.08597	26.4
97.06509	13.9
97.10165	6.9
99.08096	4.0
105.07021	34.0
107.04945	8.4
107.08578	36.5
109.06507	6.6
109.10151	6.8
111.08086	14.8
113.00021	3.2
113.05967	2.2
117.07018	11.6
119.08575	19.5
121.06478	5.1
121.10107	22.4
123.08076	4.4
123.11703	4.4
125.09650	5.2
128.06213	1.9
129.06964	10.9
131.08556	19.7
133.10104	19.0
135.08083	2.3
135.11699	8.3
137.09631	1.9
141.06952	1.6
142.07742	1.7
145.10126	3.2
147.08058	2.3
147.11661	13.4
149.09625	6.6
149.13231	28.3
151.11160	3.0
157.10103	12.4
159.11667	15.1
163.11115	2.8
165.12738	4.7
169.10153	1.7
175.11160	13.4
177.12811	5.3
193.12213	49.0
195.13770	8.1
211.13258	54.8
211.15126	3.2
267.15887	7.3
269.17468	4.8
351.22894	1.5
367.25107	1.8
369.24179	3.3
372.37845	1.4
386.75320	1.9
387.25241	5.2
400.36877	1.5
403.26547	1.5
443.28363	1.9
461.29117	9.7
479.29999	62.2
480.30585	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31864	1.6
53.03923	5.9
55.01856	4.7
55.05503	26.9
56.67053	1.6
57.03440	8.7
57.07061	2.2
65.03922	5.3
67.05496	71.9
69.03400	6.0
69.06738	2.1
69.07058	25.3
69.48739	6.7
69.49161	11.4
71.01262	1.8
71.04972	8.3
79.05482	62.0
81.02934	3.1
81.03402	44.7
81.07043	100.0
83.04971	16.2
83.08603	27.2
85.02884	18.9
85.06531	7.2
86.70898	2.0
91.04929	3.2
91.05464	53.0
92.05791	3.2
93.07031	58.4
95.04951	33.0
95.08588	26.6
97.02879	4.2
97.06532	12.5
97.10150	5.0
99.04402	1.9
99.08071	3.8
103.05438	2.1
105.07025	34.9
107.04938	9.7
107.07901	3.3
107.08579	38.8
109.02819	2.0
109.06509	11.1
109.10147	24.0
111.04402	4.7
111.08064	14.4
112.99984	8.0
115.05456	2.6
117.07005	10.6
119.08560	24.1
119.29317	1.7
121.06508	2.2
121.10123	19.1
123.04417	2.3
123.08044	5.7
123.11679	5.7
125.09626	3.4
127.07513	2.2
129.06982	10.5
131.08543	16.7
133.06516	3.1
133.10114	31.5
135.08006	4.1
135.11687	13.5
137.09586	3.0
141.06931	2.1
143.08475	3.1
145.10089	7.3
147.08049	3.3
147.11639	11.9
149.09583	4.7
149.13248	20.2
151.11180	11.0
157.10106	12.6
159.07974	2.1
159.11682	9.8
161.09567	2.8
161.13164	2.0
163.11154	6.8
165.12799	2.9
169.02643	2.9
169.10217	2.2
171.11604	1.7
175.11148	14.5
177.09244	2.1
177.12723	3.7
178.15712	1.9
193.12224	41.7
195.13797	11.6
205.12294	2.1
209.11615	4.4
211.13269	43.5
223.14821	1.9
227.12735	3.2
253.14355	9.9
267.15872	5.3
269.17587	2.7
275.20172	2.4
341.24460	2.9
367.24295	2.7
369.24054	3.5
387.24860	5.6
447.17264	2.1
461.28488	6.7
479.30292	66.0
480.30560	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	479.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.5
53.95248	2.6
55.01860	3.1
55.05494	14.8
57.03427	2.8
67.05489	42.5
69.03421	5.8
69.07048	14.5
70.29528	7.7
70.29953	5.1
71.04982	19.9
74.02518	2.1
79.05474	23.1
81.03396	6.3
81.07043	47.0
83.04967	3.0
83.08603	7.3
84.08882	2.4
85.02866	8.0
85.06515	15.4
86.09698	4.8
91.05472	17.4
93.07030	31.1
95.08587	100.0
97.02866	7.1
97.06494	9.7
97.10167	4.0
99.08064	3.0
105.06965	14.1
107.08564	20.9
109.10139	16.2
111.08044	5.4
113.09634	39.2
117.07002	3.3
119.08549	12.2
121.06467	3.2
121.10115	17.0
123.11673	9.0
125.09669	3.3
131.08527	3.3
133.06554	2.6
133.10106	14.2
135.04414	3.2
135.11665	18.8
137.05968	4.0
137.09567	3.7
139.11122	3.3
147.04440	6.5
147.11713	4.8
149.09590	3.7
149.13232	8.0
159.11711	2.9
161.13200	8.6
163.03934	8.4
163.14763	8.6
164.04289	4.1
165.09100	2.9
175.14818	6.2
213.08774	2.9
245.22774	6.2
263.23685	12.9
281.24713	46.9
299.25787	5.8
317.06552	4.4
317.26993	3.7
426.12778	2.6
463.66516	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	480.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.0
55.01860	1.5
57.03426	6.5
61.02914	9.5
65.72939	0.8
67.29448	0.7
69.03088	1.4
69.03422	15.8
70.84754	0.8
71.04978	7.4
73.02904	3.7
75.04448	1.4
77.10402	0.7
81.03420	7.7
81.07036	0.9
82.47612	0.9
83.04960	1.6
85.02891	100.0
86.09657	1.0
87.04451	3.1
91.03944	5.8
91.05491	2.5
93.07018	3.2
97.02877	24.4
97.03474	1.7
98.20691	2.2
99.04453	4.6
99.04996	0.8
103.03894	1.4
103.05463	1.6
105.07020	0.9
109.02868	7.7
111.04398	1.0
120.08080	1.2
121.06487	54.5
122.06866	1.1
127.03892	22.7
129.05464	4.2
129.10281	0.9
131.08592	1.6
137.05966	3.5
140.74799	0.9
145.04936	43.7
145.06363	2.2
147.06561	2.1
149.05965	2.1
151.07462	1.0
155.07080	1.1
157.06502	1.4
159.08008	5.0
163.05998	14.0
163.07352	1.7
165.05444	1.0
167.06918	0.9
171.08101	1.2
175.07553	2.9
179.07027	4.0
183.08006	1.0
185.06058	1.3
187.07515	19.6
187.09093	1.6
189.09056	1.4
201.09047	2.0
205.08575	15.4
211.07538	1.5
217.08647	2.1
229.08640	5.9
235.09552	1.7
247.09601	9.7
265.10687	6.7
343.04642	0.9
467.27271	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.9
55.05503	9.7
57.03415	4.9
57.07067	1.6
59.04960	1.7
61.02904	4.0
67.05491	10.5
69.03416	6.2
69.07050	5.4
70.06572	3.1
71.04979	4.8
71.70535	2.2
79.05479	13.1
79.35077	1.9
81.03391	7.7
81.07045	15.6
83.01339	2.0
83.04944	5.1
83.08585	8.7
84.08177	1.9
85.02892	11.3
85.06508	3.7
86.09660	1.9
89.70572	1.5
91.05457	9.5
93.07030	21.7
94.07401	2.0
95.04951	4.6
95.08592	17.3
97.02867	6.8
97.06507	4.0
99.04441	2.8
103.05394	1.9
105.07006	6.4
107.04938	7.5
107.08574	13.4
109.02816	2.9
109.06522	3.4
109.10130	4.5
111.04383	2.3
111.08042	4.7
117.07023	5.0
119.04879	1.8
119.08555	6.8
120.08100	1.9
121.06477	3.6
121.10117	9.7
122.05978	2.5
123.04437	2.2
123.08043	3.4
125.09557	2.1
127.03876	4.4
131.08560	2.4
133.10100	3.6
135.08032	4.2
135.11638	21.0
136.07513	1.9
137.05972	4.4
139.11153	2.7
145.02844	2.5
145.04854	2.4
145.10120	17.3
147.03294	1.5
147.04340	8.5
148.07605	1.8
149.09546	1.9
163.03935	1.9
163.11166	33.7
164.04163	2.2
164.07025	2.0
173.09682	1.6
177.05470	2.6
181.12204	8.2
185.05786	1.7
205.36752	2.3
209.11627	3.2
227.12735	35.7
265.17944	1.8
283.15366	100.0
283.18793	6.5
284.15668	2.4
301.07132	1.9
301.16867	1.9
301.19888	7.6
302.07410	3.3
303.04523	2.2
303.07715	1.9
317.06360	4.4
318.06830	11.7
426.32132	2.5
438.20419	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80550	0.9
53.03960	0.9
55.01867	1.3
55.05494	4.1
55.21694	1.0
57.03437	1.5
60.04507	1.5
60.08148	1.3
61.02904	2.3
67.05489	7.5
69.03410	3.3
69.07045	2.9
70.06571	1.2
71.04966	3.0
71.07345	1.1
71.50100	2.1
72.23935	1.1
79.05495	10.0
81.03391	3.4
81.07047	10.5
83.04973	2.9
83.08587	3.6
85.02892	5.2
85.06535	1.4
86.09705	7.3
91.05457	4.1
93.07033	15.6
95.04935	5.2
95.08591	17.9
97.02879	3.8
97.06517	3.5
99.04427	2.4
99.08106	1.3
105.07001	4.3
107.04955	5.1
107.08585	11.6
109.02832	1.1
109.06506	1.6
109.10138	2.5
111.08073	1.2
113.09628	1.0
117.06995	3.6
119.04880	1.1
119.08575	5.2
121.06472	3.8
121.10124	8.5
122.05957	1.1
122.75834	0.9
123.08017	1.6
123.11658	1.3
124.99978	4.3
125.05945	1.9
127.03857	1.3
131.08521	1.3
133.10080	2.2
135.11670	21.8
137.05956	3.8
140.10641	1.5
145.10103	14.3
147.04362	4.8
147.11737	1.1
153.12683	1.3
163.03903	2.0
163.11154	35.2
173.09598	1.2
181.12195	5.9
184.07320	20.5
205.91849	1.0
209.11684	3.4
222.00075	1.2
227.12741	47.5
283.15369	100.0
284.15833	2.0
318.06625	1.6
426.32043	2.8
444.33066	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.1
55.05509	9.2
57.03432	4.3
59.04990	1.5
60.94967	0.8
61.02922	3.9
64.91674	1.0
65.01272	0.8
67.05492	7.1
69.03419	1.6
69.07064	3.1
69.60058	2.0
69.60462	7.1
70.06583	1.4
71.01305	0.9
71.04986	3.3
79.05486	12.2
81.03423	8.9
81.07036	11.1
83.01331	5.6
83.04977	7.9
83.08612	7.4
85.02890	6.2
85.06529	1.1
91.03946	1.1
91.05465	7.3
93.07033	13.8
95.04949	3.0
95.08607	6.9
97.02882	3.2
97.06528	3.2
97.10136	1.4
99.04442	1.8
104.10753	1.4
105.07017	6.3
107.04946	4.1
107.08572	8.6
109.02822	1.1
109.06508	4.2
109.10162	2.1
111.04431	2.9
111.08086	2.7
117.07010	3.6
119.08585	4.4
121.06503	2.4
121.10123	10.2
123.08029	4.7
123.11681	1.7
127.03900	1.4
129.06976	1.2
131.08528	3.2
133.10156	2.2
135.08022	1.5
135.11668	9.8
137.05984	1.7
145.10104	10.4
147.04445	1.5
147.08078	1.3
151.54088	1.1
153.12740	4.3
155.08620	1.6
163.03918	2.4
163.11169	20.8
164.04231	1.4
164.06979	1.2
173.09618	3.7
181.12198	4.5
191.10651	4.6
194.89102	0.9
209.11693	11.5
227.12741	12.0
282.25137	2.2
283.15381	100.0
284.15622	1.6
302.04260	1.8
303.04709	3.0
317.06396	1.8
318.06738	7.6
335.71072	1.1
480.18283	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92395	2.3
53.03933	7.0
55.01857	8.5
55.05500	7.7
57.03427	8.8
61.02917	3.8
64.87337	2.0
66.40305	1.9
67.05482	13.0
68.99776	2.5
69.03426	32.4
69.07052	13.1
69.61418	3.3
69.61824	16.6
71.04975	8.8
73.02909	5.6
79.05479	6.9
80.38176	1.8
81.03410	30.8
81.07043	28.3
82.07335	2.8
83.04971	2.7
83.08604	7.7
85.02898	85.5
85.06532	4.1
87.00822	31.5
91.05479	12.7
93.07027	11.4
95.08598	36.6
97.02882	27.8
97.06510	5.4
97.10159	5.0
99.04429	14.1
99.08078	5.6
105.01858	36.5
105.07014	10.8
107.08572	5.6
109.02865	33.5
109.10181	4.6
111.08075	2.4
115.05453	2.7
115.07536	2.6
119.08562	18.5
121.10140	8.3
123.08039	4.0
127.03903	59.7
129.01819	3.9
131.08549	2.9
133.10110	16.7
135.11682	12.2
137.09619	2.5
137.13258	9.1
143.08575	2.4
145.04938	24.2
147.02888	2.4
148.15646	1.9
151.07526	7.4
159.02875	14.9
161.13245	58.3
171.02992	2.5
179.14293	100.0
189.03882	3.3
197.15340	50.9
213.03972	3.3
215.16347	10.2
231.04945	13.4
237.14839	2.3
287.16348	4.0
303.69531	2.3
305.17410	7.8
323.18436	4.1
351.84207	2.6
365.19516	2.6
409.18423	8.7
427.19476	4.1
480.29385	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	480.3078
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
51.10199	2.0
55.05505	15.1
57.03418	3.4
57.07066	4.5
62.06079	25.3
67.05496	11.5
67.97271	1.9
69.04709	1.7
69.07060	20.1
71.08630	3.1
79.05476	7.0
81.07055	16.3
83.08622	12.7
83.54977	1.8
88.03965	1.7
93.07029	8.0
95.08604	10.4
97.10158	8.2
98.06023	4.6
98.98447	8.6
107.08588	3.5
109.10134	5.2
111.11707	2.0
121.10102	3.7
121.76727	1.9
135.11679	4.2
149.13266	2.5
155.01024	8.8
198.05319	3.9
265.25247	5.4
270.68274	2.0
308.29443	26.4
339.28903	100.0
340.29285	2.8
388.74850	1.9
419.25427	3.2
480.30911	2.7
481.14944	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	480.308
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.03939	0.5
55.05239	0.7
55.05504	14.4
57.03434	7.8
57.07072	6.9
59.08743	0.4
59.17809	0.4
62.06082	0.7
67.05499	11.2
69.07063	20.2
71.04962	1.0
71.08619	3.4
71.70927	0.9
78.40225	0.4
79.05479	4.9
81.07043	11.9
83.04955	0.5
83.08610	13.8
85.06514	0.6
85.10165	1.9
86.09658	0.5
91.05466	0.9
93.07034	6.9
95.04939	0.4
95.08002	0.6
95.08595	10.9
97.06522	2.0
97.10154	8.0
98.98435	0.6
105.06999	0.7
107.08576	5.3
109.10147	4.5
111.08073	1.2
111.11692	2.4
121.10129	6.0
123.11652	1.1
124.01631	0.5
135.11679	4.5
139.11177	0.6
141.13824	0.4
149.13205	2.4
155.01077	0.6
159.96288	0.4
163.14851	0.8
165.16336	0.6
168.61337	0.4
191.17924	0.5
195.84889	0.4
216.06419	0.7
233.26222	0.5
247.24327	0.9
265.25296	1.4
277.81216	0.5
308.29428	5.1
339.28906	100.0
340.29214	3.2
480.33347	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1125
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
55.01849	0.4
55.05492	1.0
65.03617	0.5
65.03933	5.7
67.05477	1.1
68.99779	0.6
69.07058	0.5
69.71972	1.9
69.72394	0.8
79.05479	1.2
81.03405	1.1
81.07036	1.3
83.04960	0.8
83.08594	0.6
91.05467	1.3
93.03391	2.9
93.07021	0.9
95.04935	1.6
95.08605	0.9
96.02100	1.6
97.06531	0.6
105.07006	0.8
107.04953	0.3
107.08580	1.0
108.93724	0.3
109.02878	0.4
109.10125	0.9
111.04424	4.9
112.99991	0.6
119.08578	0.7
121.02886	0.5
121.10126	0.5
123.04404	0.6
124.01558	1.0
128.06252	0.3
133.10220	0.4
135.11736	0.8
139.03885	4.6
145.10114	0.7
146.05753	0.3
147.11703	0.3
148.05040	0.3
149.02364	0.4
149.05952	0.9
151.03864	0.8
151.11206	0.3
153.01813	14.0
159.11652	0.4
162.06728	0.7
163.11162	0.4
167.03394	1.0
167.08522	0.3
170.02007	0.4
197.05899	0.5
201.05434	0.4
203.03395	0.8
213.05444	3.4
216.04140	3.0
226.81767	0.3
228.04158	0.4
229.04909	1.0
229.08455	0.5
240.04176	0.4
241.04860	4.3
242.05667	1.9
243.06554	1.8
244.03749	0.6
253.04941	0.8
255.06590	0.8
256.03574	0.5
256.07294	0.8
256.82391	0.3
257.04416	6.8
258.05191	3.0
259.06134	0.6
268.03619	0.4
269.04422	2.3
270.05188	3.1
271.05997	1.2
272.03226	0.9
272.06812	2.5
273.03976	1.0
273.07550	2.0
283.06009	1.8
284.06851	0.6
285.03857	0.6
285.07516	0.6
286.04718	2.7
286.08356	3.0
287.05469	5.5
298.04431	0.5
299.05511	2.2
300.06195	1.4
301.03696	0.7
301.07010	2.4
302.04022	0.8
308.06839	0.4
311.05566	0.5
313.03369	0.9
313.07080	5.0
314.04422	0.7
314.07788	16.5
315.04965	9.1
315.08606	21.4
316.05557	1.8
316.08939	0.7
329.06555	2.1
329.10025	0.4
330.07104	0.5
335.05490	0.7
363.04877	2.4
363.08801	0.5
364.05884	1.2
377.06506	0.5
392.05161	2.8
403.07803	0.5
405.05939	0.5
420.04776	1.4
423.07092	0.4
434.05731	0.4
435.07059	15.2
436.07538	0.8
447.07007	0.5
449.08823	1.7
465.08017	1.0
466.08899	0.5
474.38263	0.4
481.11246	100.0
482.11523	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	481.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01355	0.3
55.01849	0.5
55.05505	0.9
57.07062	0.3
63.35392	0.4
67.05486	1.8
68.05833	0.3
69.03415	1.1
69.07050	1.0
70.35107	1.3
71.04987	0.4
79.05466	1.3
81.03400	1.0
81.07047	2.3
81.40314	0.4
82.84726	0.3
83.04955	0.6
83.08621	0.4
84.08112	0.5
85.02884	1.0
85.06516	0.8
91.05466	1.0
93.07035	1.8
95.04939	0.9
95.08585	2.3
97.02871	1.0
97.06515	0.8
105.07008	1.5
107.08575	1.3
109.02878	0.7
109.06453	0.4
109.10110	1.5
113.09586	0.4
117.06984	0.4
119.08568	1.0
121.06482	0.6
121.10149	1.2
123.08057	0.4
123.11789	0.4
127.03739	0.8
131.08539	0.8
133.10110	3.0
135.08029	0.3
135.11726	0.8
136.12071	0.4
137.05945	2.7
137.09598	1.6
143.08600	0.5
145.10112	1.2
147.04404	0.8
149.13214	0.5
157.10184	0.4
159.11717	0.3
161.09633	0.5
162.05461	0.4
163.03842	0.4
163.11166	0.8
165.05521	0.4
168.47066	0.4
169.04799	0.4
171.04207	0.3
171.11652	0.5
173.04208	0.5
173.13173	0.4
177.05341	0.4
186.06595	0.7
215.05214	0.8
229.06831	0.5
235.47427	0.3
244.11317	0.3
257.06271	0.4
259.05719	0.8
283.15430	0.5
284.15735	1.5
291.08481	0.4
294.30661	0.3
317.08429	3.0
317.99655	0.3
349.12619	1.4
476.25433	0.4
481.16754	100.0
482.17215	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01852	0.5
55.05490	1.0
57.03410	1.0
61.95232	0.3
67.05499	2.6
69.03419	2.6
69.07045	1.4
70.06556	0.4
71.04957	0.7
71.70165	0.5
79.05479	2.5
79.22444	0.3
79.58210	0.4
81.03409	2.7
81.07044	4.2
83.04942	0.6
83.08603	0.4
85.02893	4.2
85.06513	0.6
87.00792	1.3
91.05478	3.4
93.06492	0.5
93.07027	3.3
94.47969	0.3
95.04944	1.3
95.08601	3.3
95.39802	0.3
97.02866	1.3
97.06521	1.0
99.04406	0.5
99.08054	0.3
105.01861	0.4
105.03378	0.3
105.07008	4.0
107.04925	1.0
107.08554	1.9
109.02882	1.8
109.06514	1.0
109.10146	2.8
111.04410	0.5
113.75959	0.4
115.05452	0.4
117.06987	2.3
119.04890	0.6
119.08556	3.5
121.06478	1.9
121.10120	0.8
123.08022	1.0
127.03887	2.2
128.06194	0.5
129.06982	1.1
130.07762	0.4
131.08565	4.3
133.06480	2.0
133.10109	1.4
135.08041	2.2
137.05910	0.9
142.07784	0.5
143.08548	1.7
144.05629	0.6
144.09337	0.5
145.04912	0.6
145.06444	3.7
145.10085	5.3
147.08020	2.8
147.11723	0.9
149.09605	0.4
153.01849	0.4
155.08479	1.9
157.10095	1.8
158.07205	0.7
158.98909	0.4
159.02934	0.9
159.08020	4.3
159.11688	1.8
160.08842	0.4
161.09541	1.0
165.09009	0.4
167.08446	0.7
169.10143	0.9
171.08058	0.6
171.11653	1.1
172.08844	0.4
173.09615	8.1
173.13205	2.2
175.11143	1.4
175.14653	0.4
182.10880	1.5
185.09639	0.9
185.13205	0.5
186.10362	0.4
187.11179	1.3
187.14778	1.8
193.11809	0.3
197.13225	1.3
197.49350	0.3
199.14676	0.5
200.11917	1.2
205.04822	0.4
213.12685	0.4
215.14287	7.0
217.15866	5.7
231.13707	0.4
233.15329	100.0
234.15703	2.7
235.11134	0.4
303.20746	0.3
331.08325	0.5
463.27686	0.4
481.11130	1.5
481.20508	1.1
481.28488	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48139	0.9
51.02370	0.9
53.03942	1.4
55.05490	3.5
57.03439	1.0
62.20924	0.9
62.51149	0.9
67.05497	9.3
69.03417	2.2
69.07043	3.9
69.65192	8.0
69.65563	1.3
79.05489	8.2
80.32205	0.8
81.07046	11.0
83.04996	1.2
83.08591	2.3
85.20467	0.8
91.05469	8.1
93.07029	10.7
95.04942	2.1
95.08096	1.2
95.08602	15.2
97.47041	1.0
105.07020	7.4
107.04915	1.5
107.08580	12.6
109.06512	2.1
109.10152	13.2
113.00040	1.1
117.07001	2.1
119.08572	10.1
121.06475	3.2
121.10115	6.0
123.11671	3.2
129.06967	1.6
131.08542	3.8
133.06476	2.6
133.10089	2.8
135.08029	11.8
135.11624	2.2
137.09586	3.5
142.07758	1.1
143.08542	3.7
145.06496	2.2
145.10127	3.8
147.08034	1.6
147.11655	3.4
149.09590	2.4
153.01773	1.6
153.09007	1.0
155.08519	2.6
157.06471	4.5
157.10118	3.1
159.08023	2.8
159.11676	3.2
161.09596	2.2
163.11124	1.7
165.07051	1.0
167.08607	1.0
169.10098	1.8
171.08043	5.1
171.11673	1.4
173.09552	1.9
173.13297	0.9
175.11166	3.9
177.12730	5.5
179.08530	1.0
181.10078	1.4
183.08096	2.5
183.11630	1.7
185.09676	2.5
185.13205	1.0
187.11124	2.0
193.10149	3.1
193.12164	2.1
195.08011	1.3
195.11673	1.3
197.09615	3.9
197.13289	1.3
199.11153	2.7
201.12668	1.3
203.14230	2.0
207.11737	1.4
209.09659	1.9
211.07706	1.1
211.11203	2.2
213.16400	1.1
217.10008	1.3
219.11652	1.7
221.09618	1.4
221.13252	1.5
223.11139	2.2
223.14784	1.6
225.12761	2.0
227.14357	4.5
229.15927	1.3
231.11876	0.9
233.13104	1.2
235.11272	1.4
235.14764	2.9
239.14299	1.9
241.15837	3.0
243.11662	1.2
245.09415	1.4
247.14607	1.0
249.16339	2.2
253.15915	1.3
257.15277	2.8
259.11176	1.4
259.16891	1.3
261.12695	1.0
263.14230	1.3
263.18121	1.4
265.15857	3.1
266.83325	1.0
267.17316	2.5
273.16348	1.3
277.15891	1.1
277.21689	1.0
278.16400	0.9
279.17355	2.3
281.15659	1.4
283.16968	1.4
285.16272	1.2
289.15686	1.4
291.17456	2.6
293.15326	1.0
295.16965	4.5
301.65329	1.0
303.17502	3.0
307.16913	1.7
309.18472	1.2
311.17477	1.3
315.17245	3.4
317.18970	1.6
321.18442	1.7
329.18848	2.8
331.16931	1.1
333.18414	1.6
341.18979	1.3
345.18365	1.4
347.20157	1.7
351.20764	1.0
359.19730	2.2
359.23685	3.1
369.25919	2.5
371.23840	1.7
373.21481	1.7
375.26620	1.7
385.25226	6.9
387.22418	1.3
387.27182	7.7
388.23727	1.5
397.25272	6.2
403.26285	100.0
404.26489	3.1
405.27966	1.8
415.26279	29.9
421.27411	5.0
427.26242	2.8
433.27359	38.4
434.27557	1.1
445.27328	4.6
451.28397	92.0
452.28598	2.6
463.28491	8.1
481.10971	2.1
481.29437	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	482.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98285	1.1
53.03924	1.8
55.01839	1.6
55.05510	7.3
57.03437	6.1
61.02892	2.9
62.68955	1.4
67.05486	8.7
69.03408	4.3
69.07046	4.2
70.06583	1.3
71.04971	2.7
71.70872	1.7
73.02911	1.3
79.05477	10.8
81.03409	32.2
81.07043	12.9
83.04977	10.1
83.08601	14.8
85.02900	16.0
86.09695	3.5
91.05457	13.3
93.07033	11.6
95.04966	9.9
95.08598	6.1
97.02850	4.6
97.06499	3.8
97.10094	1.9
104.10739	2.2
105.07012	9.3
107.04961	3.2
107.08588	6.1
109.02830	1.4
109.06497	3.3
109.10134	2.9
111.04411	1.6
111.08067	5.4
115.03912	1.4
119.08568	10.7
121.10126	5.3
121.93710	1.3
123.11718	1.7
129.06938	4.2
131.08569	8.1
133.06459	1.6
133.10098	5.6
135.11691	3.8
137.09647	1.6
138.09045	2.1
143.08485	1.4
145.10123	1.5
147.04298	1.8
147.11678	9.9
149.09605	3.8
153.12733	1.8
157.10107	7.8
163.03906	1.9
164.07057	2.0
165.12791	1.9
166.08577	1.7
171.13817	3.6
175.11183	7.8
184.07352	3.1
193.12218	28.7
211.13257	22.5
244.27855	1.5
255.11256	1.4
267.15854	6.3
285.16931	100.0
286.17108	3.3
303.13330	2.0
355.79126	1.4
429.21893	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62081	1.9
55.05251	2.9
55.05490	12.4
57.03424	6.0
61.02922	2.8
67.05499	12.2
67.61056	2.2
67.88104	1.9
69.03415	4.9
69.07062	4.4
69.43076	11.8
69.43502	9.2
71.04976	3.7
75.91158	2.0
79.05478	9.0
81.03404	45.6
81.07047	21.3
83.04982	12.3
83.08603	16.0
85.02894	16.3
85.06520	2.2
87.04453	2.1
89.28876	2.0
91.05468	17.1
93.07029	11.7
95.04952	17.4
95.08591	8.4
97.02871	6.6
97.06506	3.4
105.07014	9.3
107.04942	3.6
107.08569	6.1
109.06504	3.5
109.10213	2.8
111.04398	1.9
111.08055	8.6
119.08563	11.0
121.10136	6.7
123.08091	2.5
123.11708	3.6
124.12033	3.0
129.06963	7.5
131.08562	6.0
133.06464	3.0
133.10086	4.3
137.05983	4.1
137.09464	2.3
147.04483	2.3
147.11684	7.4
149.09564	5.7
153.12752	2.3
154.05008	3.0
157.10114	8.9
163.03909	8.4
169.12196	3.9
170.12546	2.9
173.21112	1.9
175.11145	8.9
181.13148	2.3
184.83606	2.1
187.13277	3.8
188.13640	2.5
193.12219	49.0
211.13261	49.9
229.14320	2.2
244.38716	2.5
267.15869	23.6
285.16925	100.0
286.17328	4.0
440.99612	2.4
506.90646	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.7
57.03414	1.5
60.75983	1.4
61.02909	3.0
64.79989	1.2
67.05481	1.3
69.03419	5.7
69.87452	8.4
73.02918	2.4
76.45203	1.2
77.00893	2.3
81.03392	1.7
82.99848	2.2
85.02889	11.6
89.00883	1.9
91.03921	2.1
97.02890	7.2
98.97564	8.4
101.00847	11.5
109.02866	2.4
113.00864	3.3
116.98644	2.3
119.01901	30.0
121.06465	2.4
127.02412	2.8
127.03905	5.6
131.01897	18.6
133.03461	7.6
137.02939	4.4
139.02388	2.5
143.01892	22.8
144.01962	1.4
145.03452	16.5
145.04698	2.3
147.01280	1.7
147.05055	2.1
149.02951	3.4
149.05945	6.0
155.01877	23.7
157.03444	16.0
158.03549	1.6
158.99602	2.5
159.05025	1.7
159.24649	1.3
161.02934	28.7
163.04514	3.4
167.01846	9.8
167.06984	1.6
169.03490	2.1
170.99600	1.6
171.05121	3.2
173.02957	48.4
174.03087	2.3
175.04521	6.2
177.00728	3.3
177.02402	4.5
179.01891	4.5
183.04921	2.8
185.02939	42.4
186.03282	1.4
187.04558	7.3
191.03973	1.9
197.02954	16.0
199.04553	3.4
201.00708	2.2
201.02411	45.2
201.06056	4.4
202.02509	2.6
203.03986	19.0
205.05675	2.6
209.02896	2.4
211.04568	2.3
213.02420	11.4
215.03967	9.5
219.01733	4.2
219.03485	90.8
220.03841	2.8
220.06802	2.9
221.03076	1.4
221.05069	18.0
223.06787	2.3
225.02478	1.5
225.06302	1.7
227.03925	11.3
231.03534	11.4
231.07079	2.3
233.05042	2.2
237.02573	7.7
237.04747	2.8
239.03949	2.9
239.06082	14.5
242.05193	4.4
243.03526	5.9
245.05038	100.0
246.05299	4.6
247.06592	3.6
249.04492	9.0
255.03514	7.1
257.05063	6.0
259.06699	2.4
261.04575	14.5
263.06100	25.3
273.04364	2.2
275.06094	45.7
276.06284	2.9
277.07608	1.9
279.05704	4.8
291.05685	1.6
291.09103	1.8
293.07138	5.5
303.05618	25.4
303.08945	1.9
305.07162	17.1
307.08752	3.1
317.07407	1.4
321.06677	40.4
321.10284	6.4
335.08160	3.8
337.09698	5.4
339.07629	2.3
341.10916	1.7
349.09720	11.5
363.07855	1.5
365.09259	11.3
383.10126	4.2
483.11624	38.7
484.12140	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.4
53.78565	1.3
55.01868	1.8
55.05490	2.6
59.67324	1.1
61.02903	1.4
67.05495	10.8
69.03432	7.1
69.07048	2.7
70.04340	7.2
70.06576	4.2
71.04986	12.0
73.02869	1.6
79.05476	6.6
79.60932	1.1
80.05058	1.3
81.03398	2.8
81.07050	12.3
83.04971	3.1
83.08600	2.9
85.02898	11.3
86.09676	2.1
87.04482	1.3
88.56223	1.2
91.05452	4.8
92.04983	1.2
93.07030	10.2
94.06551	4.0
95.04937	4.2
95.08595	10.7
96.08090	3.5
97.02861	5.0
97.06516	3.5
99.04438	1.4
103.88289	1.3
104.10739	1.4
105.07020	7.7
107.08574	7.4
109.02864	2.4
109.06479	4.7
109.07560	1.2
109.10126	5.7
119.08571	9.9
120.08062	1.8
121.10149	8.3
122.06004	5.8
123.08109	2.7
123.11665	3.3
124.07584	6.8
126.09134	11.1
127.03908	3.1
131.07310	1.1
131.08556	4.5
133.10094	8.8
135.08029	2.0
135.11679	3.4
136.07552	2.2
137.05934	3.4
137.09598	1.4
138.05380	1.3
138.06325	1.5
138.09119	5.1
142.07695	1.9
143.08534	1.9
145.10109	5.4
147.04323	1.5
147.11652	4.3
149.09523	1.8
149.13293	1.4
149.83858	1.4
150.05479	48.1
150.09042	1.4
151.11165	1.8
152.05803	1.7
152.07050	29.0
155.08522	1.4
157.10120	4.6
158.09627	1.7
159.11636	5.0
161.09633	1.8
161.13290	1.6
162.05498	1.6
163.03816	1.7
163.11205	2.5
164.07083	2.4
166.05008	7.9
167.10670	1.4
169.10133	3.1
171.11653	1.6
173.13284	4.6
175.14816	9.9
178.04982	11.3
185.13240	3.2
187.14819	3.1
189.16365	4.5
199.14842	3.7
200.09323	1.8
203.14276	2.2
205.15950	2.7
207.13826	2.3
213.16307	1.7
217.09802	2.2
227.08170	1.7
227.11656	2.8
228.08900	5.7
229.09644	2.2
229.13324	3.4
243.07698	3.9
249.18517	2.5
255.11307	14.3
256.08478	5.5
256.12051	2.1
257.09113	2.3
257.12820	6.6
267.19617	6.1
271.10822	2.7
272.11545	3.5
273.12292	5.2
285.12299	35.2
285.20724	13.5
303.13361	100.0
303.19168	3.6
304.13800	2.4
321.06058	2.1
359.58679	1.3
437.30042	1.5
465.18597	2.3
483.31317	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44368	3.3
55.05501	23.4
57.03437	8.5
57.05231	3.2
57.07056	8.3
65.25385	3.2
66.10757	3.3
67.05481	5.1
68.99344	3.4
69.07050	25.3
71.08620	4.2
74.26424	3.3
83.08602	19.5
93.07023	5.7
95.08587	6.0
95.76218	3.5
97.10143	10.4
98.98445	12.1
99.08936	3.3
111.11732	5.3
119.08540	3.4
150.20256	3.4
155.01076	9.1
217.72719	3.5
259.57022	3.7
311.25751	100.0
402.95886	3.1
447.25378	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	483.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.9
55.05503	18.3
57.07063	5.0
65.03931	4.5
67.05486	24.1
69.03416	8.6
69.07048	25.4
69.64944	2.8
69.67477	24.0
70.06593	3.4
71.04964	3.9
79.05482	28.5
81.03427	4.4
81.07043	49.3
83.04964	60.5
83.08613	5.6
84.40984	3.1
85.02892	4.5
85.06512	6.8
91.05460	40.5
93.07024	60.8
95.04945	40.5
95.08578	51.6
97.06504	14.8
99.08053	7.1
103.05415	3.5
104.09651	3.0
105.07004	93.3
107.04924	5.0
107.08567	61.4
109.06492	12.8
109.10132	30.2
111.08093	6.5
115.05436	4.7
115.07558	14.4
117.06985	21.0
119.08542	61.7
121.06480	8.9
121.10102	36.2
123.08047	14.4
123.11685	16.6
125.09572	5.9
129.06984	10.6
130.07784	4.0
131.08533	63.8
133.06474	6.6
133.10100	54.4
135.08070	8.1
135.11676	17.6
137.05984	3.2
137.09598	8.5
141.06964	4.7
142.07729	11.1
143.08534	38.8
144.09303	4.7
145.06400	4.5
145.10075	69.7
147.08000	7.0
147.11659	49.0
149.09541	9.0
149.13210	23.9
151.11105	5.8
155.08521	13.3
156.09309	7.5
157.10074	46.8
158.10899	5.7
159.07990	7.2
159.11650	57.3
161.09601	10.1
161.13263	26.9
163.07594	5.2
163.11147	4.9
163.14825	7.3
167.08504	3.8
168.09270	7.6
169.10107	22.3
170.10907	4.4
171.11653	53.5
173.09546	6.6
173.13225	47.0
175.11171	13.1
175.14798	23.8
177.12695	7.4
177.16351	12.1
179.08536	4.6
181.10115	10.6
182.10876	5.7
183.11655	21.9
185.09656	5.7
185.13220	41.3
187.11131	10.8
187.14763	35.9
189.12712	28.6
189.16374	10.5
191.14310	6.5
195.11673	8.7
196.12433	4.0
197.13228	26.5
199.11124	39.7
199.14772	24.8
201.12680	18.2
201.16328	9.9
203.10654	3.7
203.14273	35.0
205.12154	3.5
205.15868	18.4
207.13724	5.5
209.13272	4.6
211.14807	8.7
213.12645	4.7
213.16351	15.5
215.14287	28.2
217.12187	47.8
217.15845	12.9
219.13646	7.9
221.15367	4.2
223.14804	4.1
225.12743	3.9
225.16286	7.1
227.17876	4.0
229.15733	4.8
231.13782	7.8
231.17303	3.9
233.15337	11.7
235.13214	5.1
235.16901	4.6
239.17979	6.2
243.13756	9.2
243.17302	5.6
250.57433	4.0
251.17871	4.4
253.14178	16.4
253.19545	4.0
255.17482	4.6
261.14822	6.5
263.12701	74.3
279.15811	15.5
374.98114	3.4
389.28384	4.9
401.28070	6.5
419.29181	16.5
425.26889	13.2
437.30334	14.1
447.28558	10.5
453.29895	4.4
465.29929	24.5
483.12460	3.8
483.19751	4.4
483.24774	5.7
483.31064	100.0
483.38129	4.7
484.31366	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	483.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	15.4
61.49465	3.3
67.05499	18.2
67.62175	3.2
69.07066	22.8
71.70674	4.8
72.24921	3.7
79.05477	17.4
81.07047	37.2
83.08588	10.4
85.02892	8.1
91.05479	27.4
93.07024	39.2
95.04937	5.4
95.08596	54.3
97.06499	8.4
99.08085	7.3
103.05401	4.7
105.07015	87.6
107.08582	64.5
109.06486	6.0
109.10136	35.2
111.08037	3.7
117.07003	12.4
119.08566	100.0
121.06483	14.6
121.10132	40.9
123.08086	6.3
123.11713	8.5
129.06989	9.0
130.07777	4.7
131.08543	76.5
131.09467	7.2
133.10112	62.8
135.07997	4.2
135.11673	19.7
137.09584	4.1
142.07811	7.9
143.08517	22.9
144.99652	3.5
145.10095	95.5
147.08023	9.7
147.11690	34.0
149.09579	10.6
149.13245	19.0
151.11166	4.8
155.08534	8.7
156.09320	6.7
157.10098	39.7
158.10872	4.1
159.11681	43.4
161.09598	21.0
161.13237	37.0
163.11145	12.0
163.14815	29.3
169.10123	11.4
170.10931	6.2
171.11688	32.0
173.09711	4.4
173.13240	76.0
175.07480	3.9
175.11145	6.0
175.14806	82.0
177.12756	4.8
177.16391	19.4
183.11691	14.4
184.12468	4.2
185.13243	40.3
187.11159	5.1
187.14815	71.7
189.12755	25.5
189.16364	35.7
191.14296	80.1
195.11681	6.2
197.13191	6.9
199.14807	47.6
201.12717	5.5
201.16370	73.3
202.16779	3.8
203.14304	8.9
203.16273	5.8
203.17860	28.7
209.13313	4.3
211.14780	5.7
213.16357	15.7
215.14288	13.7
215.17990	5.3
217.12265	4.5
217.15872	18.9
217.19298	3.9
219.13805	7.9
219.17514	9.0
221.15352	5.5
223.14935	4.4
225.16550	4.4
227.14375	5.1
227.17992	10.7
229.15851	5.9
229.19536	6.1
231.13797	5.6
235.13275	11.4
241.19576	3.7
243.17545	5.8
245.15375	12.8
247.16888	7.2
249.14818	6.8
251.17926	5.3
259.16956	5.0
261.14682	4.5
274.55695	3.3
289.17682	4.4
307.24173	5.7
344.84131	3.9
353.24506	5.0
373.28543	6.2
375.30289	5.7
391.29944	25.2
393.31378	11.4
401.28345	4.3
409.31100	7.1
419.29337	30.2
421.30801	6.1
437.30487	57.6
439.32086	6.9
447.28809	8.1
465.29941	14.9
469.18301	3.7
483.23926	5.2
483.30914	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28729	1.7
55.05493	8.5
57.07061	4.4
67.05497	14.6
69.03401	3.8
69.07059	12.7
71.04967	3.1
73.37972	1.9
79.05495	15.4
81.07044	26.9
83.04970	32.0
83.08624	2.8
85.02888	3.3
85.06528	3.5
91.05462	20.0
93.07022	32.7
95.04968	17.5
95.08588	32.3
97.06490	5.6
97.10220	2.5
98.21462	4.1
100.51478	1.6
100.82310	1.9
100.98383	1.7
103.05448	2.3
105.07021	54.8
107.08582	37.1
108.08884	2.3
109.02865	2.9
109.06499	7.7
109.10137	17.9
111.08052	3.8
115.07555	4.0
115.13840	2.1
117.06994	8.8
119.08557	40.8
121.06448	4.9
121.10119	19.1
123.08046	6.5
123.11690	8.6
125.09557	3.4
128.06221	3.0
129.06989	6.4
130.07803	2.6
131.08554	30.7
133.06461	2.2
133.10110	25.2
135.08028	4.3
135.11674	12.8
137.06006	2.0
137.09599	2.7
142.07742	7.0
143.08545	22.0
144.09311	3.1
145.10109	37.5
147.08034	4.9
147.11661	31.5
149.09634	5.8
149.13177	11.0
151.11208	3.5
153.06902	2.2
155.08537	7.4
156.09373	5.0
156.13777	4.7
157.10112	23.5
158.10844	2.8
159.08069	2.6
159.11661	34.6
161.09576	6.6
161.13251	18.5
163.14822	2.3
165.06990	4.0
166.07751	2.6
168.09309	2.5
169.10110	12.0
171.11656	24.5
173.09676	3.4
173.13254	29.3
174.13831	2.0
175.11205	4.6
175.14772	13.5
177.12741	4.3
177.16383	6.1
181.10100	5.8
182.10823	3.2
183.11676	13.2
184.13428	2.4
185.13229	17.5
187.11240	4.2
187.14809	23.8
189.12694	17.9
189.16370	5.0
195.11662	5.0
197.13219	12.4
199.11166	24.1
199.14810	12.5
201.12752	11.2
201.16351	8.8
203.14285	13.5
203.17921	2.5
205.15866	10.3
207.17372	2.5
211.14821	6.3
213.16374	5.5
215.14343	13.2
217.12215	29.6
217.15852	5.2
219.13766	2.0
225.16309	4.7
227.14267	2.8
229.12265	2.2
229.15927	3.4
229.19601	2.5
231.13811	4.8
231.17380	4.7
233.15343	5.3
239.18027	2.3
241.15936	2.8
243.13734	2.6
245.11641	2.7
245.15579	3.6
249.14897	2.3
253.14166	3.7
253.19315	2.5
261.14731	2.4
263.12772	34.6
279.15869	2.9
291.16080	2.7
401.28333	4.1
419.29504	8.9
425.26718	4.3
435.28824	2.2
437.30722	11.7
447.28876	3.9
453.29605	3.7
465.30154	12.5
466.30392	2.4
483.21881	100.0
483.30847	52.4
484.22263	9.2
484.31003	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	483.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	10.7
57.07055	2.9
65.03927	3.4
67.05495	16.7
69.03436	2.5
69.07050	9.3
69.59657	13.0
69.60084	3.6
70.40025	1.7
71.51861	1.9
73.78013	1.6
77.03902	1.8
78.30896	1.6
79.05480	20.1
81.07048	29.6
82.40491	1.7
83.08613	7.5
85.06538	2.1
91.05465	23.4
93.07034	35.0
95.04940	4.3
95.08592	44.2
97.06510	4.2
99.08089	21.9
105.07016	60.5
105.07720	3.1
107.08582	58.7
109.06513	3.6
109.10153	21.5
111.08102	1.9
115.05415	2.2
117.06988	10.1
119.08568	100.0
120.08921	2.0
121.06487	5.7
121.10129	31.7
123.08073	6.4
123.11682	6.5
125.05943	3.3
125.09656	1.8
128.06264	3.3
129.06978	5.4
131.08556	48.4
133.06490	2.2
133.10114	50.4
135.08049	4.8
135.11659	17.3
137.09633	4.1
137.13269	1.9
141.06982	3.1
142.07758	7.0
143.08546	26.9
144.09267	3.0
145.06479	1.7
145.10117	63.0
147.08026	3.7
147.11664	36.9
149.09612	5.5
149.13252	7.4
153.09210	2.2
155.08638	8.5
155.77455	1.7
156.09319	7.2
157.10117	34.6
158.10805	2.0
159.07976	2.2
159.11678	44.8
161.09584	6.4
161.13249	20.6
163.07518	2.5
163.11154	6.5
163.14789	10.4
169.10118	12.7
170.10847	5.6
171.11685	28.0
172.12422	3.1
173.09721	2.2
173.13243	55.6
175.11180	3.9
175.14813	41.0
177.09073	1.7
177.12718	4.1
177.16380	4.6
179.14381	1.7
181.10057	3.9
182.10970	2.4
183.11694	17.5
185.09515	1.8
185.13245	26.4
187.07393	2.1
187.11160	2.7
187.14803	61.5
189.12701	6.1
189.16386	10.4
191.10591	2.1
191.14299	21.8
193.10168	1.7
195.11668	6.8
195.13602	2.4
197.13205	16.1
199.11183	3.0
199.14803	39.4
201.12749	6.4
201.16367	42.5
202.16754	2.6
203.14380	5.6
203.17987	5.5
205.15910	3.1
209.13226	8.6
211.14806	12.4
213.16364	22.9
215.14325	4.7
215.17894	3.7
217.12263	3.1
217.15814	6.1
219.13791	11.6
219.17407	3.2
221.13301	3.2
221.15430	4.7
223.14818	5.9
225.16293	3.7
227.14354	3.3
227.17892	13.3
229.15802	6.0
229.19502	3.4
231.13821	5.7
233.13136	2.0
233.15314	4.6
235.13217	4.0
237.16362	4.5
239.17926	5.0
241.19461	3.5
243.17506	4.1
245.15308	12.0
247.16936	4.6
251.17932	5.2
253.19514	3.3
257.15393	2.3
259.16946	1.9
263.18091	3.3
265.19543	3.1
267.21069	3.0
277.19467	1.7
279.21106	2.6
297.18619	1.8
297.22015	2.4
303.21088	2.5
305.22491	3.4
307.23950	8.6
309.25818	3.1
319.24118	2.8
321.21866	2.0
323.23700	3.3
333.25568	2.5
353.24847	10.1
363.26547	3.6
365.24683	4.8
373.28821	6.2
375.30685	2.8
381.28009	2.4
391.29932	24.2
393.31512	7.4
401.28287	3.9
409.31125	3.3
419.29501	26.8
420.29541	2.2
421.30884	4.6
437.24417	2.4
437.30478	47.7
438.31131	1.9
447.28989	3.0
465.30066	14.6
483.31082	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	483.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08783	3.1
53.03941	5.3
55.01873	4.2
55.05494	16.2
57.03416	5.1
57.07076	4.4
67.02940	3.1
67.05499	26.9
69.03416	12.6
69.07053	19.9
70.59588	12.1
71.04979	5.0
78.04738	3.8
79.05486	24.8
81.03433	6.9
81.07047	44.1
83.04974	16.0
83.08591	7.9
85.02892	13.2
85.06532	10.6
87.04451	5.8
91.05463	41.1
93.07029	56.7
95.04942	20.1
95.08601	45.9
97.02891	6.4
97.06520	8.6
99.04454	4.2
105.07018	100.0
107.08576	66.4
109.02855	3.9
109.06500	16.1
109.10158	25.4
111.04539	3.9
111.08060	5.5
113.05952	4.2
115.03894	3.6
115.05413	5.9
117.07004	13.1
119.08566	85.1
120.08085	5.9
121.06488	9.5
121.10130	41.4
123.08062	14.3
123.11710	8.5
125.09649	7.4
127.03921	5.6
128.06216	8.8
129.06982	12.8
130.07759	4.7
131.08554	60.7
133.10103	85.4
135.08076	11.4
135.11693	18.4
136.07587	3.4
137.09615	7.1
138.09094	3.4
141.06984	8.4
142.07751	22.6
143.08534	57.1
144.09373	9.9
145.10100	82.1
146.06018	4.5
147.04393	7.0
147.08069	8.7
147.11662	90.1
148.12054	4.9
149.09634	10.6
149.13249	17.2
155.08549	10.6
156.09357	9.0
157.10101	62.2
158.10777	6.4
159.08009	9.8
159.11673	82.7
161.09599	19.4
161.13220	22.8
163.11163	9.6
164.07062	7.9
165.07024	3.1
168.09290	5.7
169.10130	30.4
170.10893	5.7
171.11659	64.5
173.09602	8.6
173.11943	2.8
173.13232	80.0
175.11205	22.4
175.14828	22.7
177.12691	3.7
177.16316	19.8
179.10739	3.1
181.10025	5.8
182.10736	4.1
183.11667	26.7
185.13213	35.1
187.11243	7.3
187.14789	80.7
189.12717	13.2
189.16383	11.4
191.14316	4.8
193.12241	6.9
195.11624	7.2
197.13229	59.0
199.14778	42.1
201.12735	15.6
201.16391	21.9
203.14313	19.9
205.15823	37.2
207.13757	3.5
209.13235	6.9
211.14824	8.8
213.12852	5.8
213.16319	24.3
215.14297	80.2
215.17587	4.5
217.12177	6.0
217.15755	18.3
219.13805	3.5
225.16383	8.1
227.18083	4.6
229.15871	4.0
231.17494	5.4
233.15257	16.6
235.09654	5.0
237.16327	4.7
239.17975	6.5
241.19484	10.0
243.13728	4.5
261.14752	4.3
279.15869	53.8
286.17313	15.3
303.19479	12.2
379.26260	4.5
391.30090	3.8
397.27283	5.7
401.28360	13.7
407.25104	4.2
407.29745	4.1
419.29367	14.2
425.26776	29.5
437.30298	28.7
447.28943	6.6
453.30081	8.0
455.31519	10.8
465.29916	31.8
471.03873	3.6
483.30997	95.8
484.31580	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	18.5
57.07080	6.0
61.53089	3.5
67.05499	25.5
69.03404	10.7
69.07065	18.0
70.03701	3.4
71.05915	8.4
71.16608	3.7
79.05481	28.2
81.07047	71.2
82.79161	3.8
83.08607	8.7
85.02875	11.2
91.05463	32.2
93.07031	47.8
95.04924	7.6
95.08586	57.6
97.06517	9.1
99.08070	6.4
101.45982	3.6
105.06332	6.2
105.07008	89.6
107.08583	69.2
109.06554	8.6
109.10147	37.5
111.08017	4.5
117.06960	12.3
119.08562	100.0
119.09412	7.0
119.51566	3.2
121.06474	11.4
121.10122	37.8
123.08057	8.7
123.11680	16.7
126.95979	4.1
127.03987	4.2
128.06152	4.2
129.06947	8.2
131.08545	70.8
133.10110	56.3
135.07976	8.1
135.11656	17.2
137.09608	6.9
139.07481	3.9
142.07739	8.0
143.08572	26.6
144.09348	5.5
145.10101	83.0
147.08005	9.6
147.11679	43.6
149.09604	8.2
149.13229	15.3
151.07555	4.2
151.11162	15.2
155.08508	7.0
156.09256	5.6
157.10089	32.7
158.10883	5.6
159.11688	39.6
161.09572	16.2
161.13254	39.9
163.07426	5.5
163.11128	13.6
163.14861	26.6
169.10057	13.0
169.12096	5.6
171.11668	20.3
173.13240	72.2
175.14807	76.1
177.09210	5.7
177.16368	16.6
179.08511	3.6
183.11674	17.0
185.13252	40.0
187.13251	7.8
187.14774	56.3
189.12721	26.8
189.16339	28.1
191.14282	74.1
191.17947	6.7
195.11708	5.0
197.13219	11.0
199.14795	40.5
201.12662	11.4
201.16353	62.9
203.14264	16.2
203.17975	18.6
205.15742	5.1
207.13803	6.0
213.16293	13.7
215.14255	9.9
215.17862	5.9
217.15826	22.8
219.13754	9.0
221.15350	7.0
225.16306	8.0
227.17865	11.1
229.15802	8.0
231.13690	7.2
233.15358	4.9
235.13319	10.8
235.16855	6.8
239.17947	6.0
243.17331	5.3
245.15260	10.5
247.16887	14.3
253.15892	4.7
261.14783	3.9
303.23315	4.5
353.24750	4.9
360.59299	4.0
375.30322	5.0
381.27957	4.9
391.29886	18.7
393.31396	6.4
401.28296	5.2
405.69678	3.7
409.30957	8.8
419.29410	32.2
421.30823	6.1
437.30521	54.0
438.30914	4.3
439.31921	5.9
447.29102	4.8
465.29749	18.9
483.31146	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	483.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01852	3.4
55.05502	51.7
57.03402	1.4
57.07068	43.2
59.04980	1.5
65.03914	1.6
67.05495	24.3
67.81684	0.9
69.03419	4.3
69.07055	17.2
71.08620	32.0
71.71664	1.8
79.05485	11.4
81.07040	30.2
83.04978	2.4
83.08603	40.7
85.06513	1.8
85.10168	16.8
91.05486	2.4
93.07014	3.5
95.08591	25.9
97.10152	67.1
101.09579	1.5
107.08577	14.7
109.10129	13.6
111.08081	3.2
117.06941	1.1
123.11668	4.5
125.09615	55.1
125.44001	1.1
126.09891	1.7
135.08057	4.8
136.09566	1.1
137.13258	2.1
138.58168	1.2
143.10654	3.9
144.65756	1.0
153.09103	4.4
171.10141	5.8
171.11545	1.3
189.11188	61.4
197.64221	1.4
205.37206	1.4
227.12764	23.0
227.14835	2.1
239.23729	6.4
370.76013	1.3
441.38159	1.1
483.36774	100.0
484.36963	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	485.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29382	1.9
51.37759	2.4
65.19689	2.2
71.69577	3.5
94.27475	2.4
98.97569	8.7
116.98581	10.1
121.59206	2.2
134.99646	8.9
174.97639	3.7
177.01003	3.1
192.98703	6.0
200.53348	2.5
216.98802	4.1
219.01927	5.6
232.96658	6.7
234.96410	10.5
234.99860	8.7
236.00208	2.4
236.99637	8.7
240.98619	2.3
250.97725	5.5
251.97893	4.0
252.97528	13.6
253.01001	3.6
255.00679	2.9
256.96707	4.8
258.96518	11.6
258.99893	15.1
260.00098	7.6
260.99811	14.6
261.03024	8.7
262.00015	3.0
274.97690	27.5
275.97830	11.0
276.97580	44.1
277.00977	24.8
278.01068	6.6
279.00824	19.6
280.01038	5.4
282.99905	33.5
284.00052	13.3
284.99728	35.4
285.99930	4.8
286.99506	2.9
292.98859	8.6
293.98831	3.1
294.98492	10.6
298.97650	21.9
299.97906	7.4
300.97537	33.3
301.01044	58.8
302.01056	22.9
303.00836	64.7
304.00836	10.6
305.00861	5.9
316.95728	3.2
316.98837	39.7
317.98935	19.7
318.98587	67.3
319.01819	3.0
319.98569	6.3
320.02139	3.6
321.01880	2.5
324.02606	4.4
336.99710	4.2
342.00204	4.7
358.99875	6.7
360.00314	3.9
360.99774	13.0
376.97739	4.9
401.01517	4.0
402.01474	7.6
403.00803	21.9
404.01016	8.1
408.99408	4.3
418.99319	11.4
424.97101	3.7
425.01807	4.6
427.01089	18.7
442.97787	53.2
443.02609	12.0
444.02390	7.0
445.02090	51.6
446.01956	7.2
447.01660	3.4
460.00287	5.4
460.99741	100.0
461.99826	8.5
466.03613	2.7
468.03424	4.4
484.01016	11.9
485.01321	36.0
486.01105	4.9
503.03101	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	485.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01831	1.0
55.05492	2.3
57.03428	6.5
59.04991	0.8
69.03430	3.5
71.04981	31.1
73.02895	0.9
75.04475	1.8
78.19733	0.7
79.05474	1.1
81.03398	1.7
81.07031	1.5
83.04967	3.1
84.03119	0.7
85.02892	37.2
87.04447	2.3
89.03908	6.7
91.05460	1.7
93.07008	1.6
95.04945	1.0
95.08627	1.0
97.02879	6.2
99.04424	2.2
105.06998	2.4
107.08596	1.9
109.02819	0.8
111.04406	2.7
115.05410	0.8
117.03362	20.2
119.08538	3.1
121.10143	1.0
127.03866	2.3
129.05472	6.1
131.04948	0.9
131.08549	1.3
133.10130	1.6
134.03618	1.3
135.04375	1.6
135.08069	0.8
135.11592	1.1
137.05972	5.8
145.02827	45.3
145.10077	1.5
146.03127	1.2
147.04385	1.0
147.06541	0.9
147.11613	0.8
149.05978	6.5
158.05981	0.7
159.07913	0.9
159.11703	1.5
173.13223	1.8
175.07462	0.9
175.14903	0.8
177.05449	100.0
178.05804	2.1
179.07016	3.3
185.13156	0.9
187.14709	1.2
191.07069	0.8
195.06483	1.3
203.06885	1.2
217.08562	1.0
229.66008	0.8
231.06432	0.8
287.09094	2.9
293.17502	0.7
305.10257	1.1
321.09589	2.2
323.11020	1.3
339.10764	3.8
357.09634	0.8
371.75308	0.8
403.30237	0.8
421.30875	1.1
478.59476	0.9
485.16193	1.3
485.32962	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19767	4.3
56.96576	4.5
67.05450	4.3
71.43208	4.3
71.70325	5.2
98.97576	4.8
108.08097	7.8
110.06001	5.7
124.07568	7.4
126.92957	4.0
136.07555	56.6
142.08626	7.2
146.06018	3.9
154.08629	5.5
164.07057	21.5
167.58884	5.0
196.86115	4.0
213.10431	4.6
241.09734	5.1
241.13304	14.0
246.49832	4.1
259.14435	16.6
269.12762	30.5
286.79050	4.6
287.13940	25.7
287.79037	4.1
305.14886	100.0
485.16458	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.4
62.03092	1.4
62.56067	1.4
65.03922	1.7
67.05492	25.8
69.03402	2.5
69.07043	5.3
69.87399	6.4
69.87804	4.1
76.22639	1.8
79.05465	6.5
81.03420	1.9
81.07046	18.2
83.04957	1.8
83.08611	1.7
85.02873	2.0
85.93801	1.5
91.05453	6.8
93.07030	12.2
95.04939	2.0
95.08582	11.4
97.06502	2.5
97.10152	2.5
105.07010	11.7
107.08588	16.0
109.06497	2.2
109.10138	100.0
111.04395	1.9
117.06971	4.3
119.08556	16.9
121.10140	9.9
123.08099	2.4
123.11662	3.1
129.06953	2.4
131.04843	2.1
131.08553	8.1
133.10074	10.1
135.11668	4.2
135.67528	1.6
143.08534	5.3
145.10115	13.7
147.11655	6.6
149.13231	3.5
151.11206	1.7
157.10107	4.9
159.11639	9.1
161.13229	4.4
163.11176	3.4
163.14749	2.1
169.10172	2.6
171.11684	4.8
173.13243	9.8
175.14760	4.8
177.05464	2.3
177.12679	2.4
177.16371	3.4
183.11588	2.5
185.13182	6.8
187.14867	7.4
189.05486	1.7
189.12709	1.7
189.16284	2.9
191.14276	4.3
197.13220	3.0
199.14819	5.8
201.12628	2.5
201.16377	9.2
203.14323	2.5
205.15828	7.0
211.14801	2.1
213.12695	1.5
213.16284	5.1
215.14201	1.5
215.17886	3.7
219.13702	1.5
219.17442	19.1
221.15266	3.2
225.16269	1.8
237.18434	3.1
245.15465	1.7
393.30984	2.0
403.29828	3.6
421.30713	4.8
423.32794	1.7
439.32031	9.0
441.33713	1.9
449.30548	3.7
467.31323	5.8
485.32257	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	485.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.9
53.38345	1.8
54.93650	1.7
55.05500	4.6
55.05742	2.1
57.03422	9.1
57.07064	30.7
67.05486	7.4
68.20190	1.7
69.07051	6.7
69.68080	3.4
69.68502	11.7
69.81055	2.0
71.08611	14.1
76.08955	1.8
81.07033	7.9
83.08607	4.4
85.10168	13.0
95.08615	12.6
97.10165	3.0
98.98446	15.3
105.07047	2.3
107.08557	2.6
109.10125	4.2
109.68203	1.8
123.11684	3.5
126.97707	2.4
131.06639	1.9
152.72308	2.0
155.00999	8.1
173.02063	2.7
273.49417	2.1
301.48846	2.0
313.27325	100.0
314.27661	5.0
362.21667	2.3
449.26694	2.3
485.32672	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.1
55.11751	1.1
57.03433	6.1
57.06796	1.6
57.07068	24.5
66.33425	1.1
67.05489	6.1
69.06676	0.8
69.07042	5.6
70.84048	3.9
71.08246	1.4
71.08620	16.7
75.33794	0.9
79.00213	1.0
80.91279	1.3
81.07046	8.4
83.08603	4.3
85.10165	8.3
91.05473	1.2
93.07039	1.4
95.08592	11.4
97.10168	2.4
98.98452	19.5
99.24570	1.0
109.10157	2.8
116.99432	1.1
121.10266	1.1
123.11726	2.4
133.10097	2.0
155.00993	14.9
234.04683	1.3
239.23663	3.1
247.05769	1.4
284.27274	1.2
313.27316	100.0
314.27698	2.6
345.79825	1.1
393.24091	1.6
449.26508	7.4
485.32776	1.7
495.27261	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.1
55.05503	0.8
57.07053	0.2
63.02376	0.2
65.03934	1.1
67.05486	0.3
67.16570	0.1
69.07049	0.2
69.39156	1.0
69.39585	0.4
71.04979	0.1
73.03515	0.1
77.03923	0.1
78.04672	0.6
79.05476	0.8
81.03413	0.6
81.07044	0.3
83.04987	0.2
85.02898	0.2
85.06529	0.3
86.82567	0.1
88.16300	0.1
91.05463	53.6
92.05803	0.7
93.07040	0.3
95.04953	0.2
95.08607	0.1
99.04506	0.1
103.05438	0.6
104.06227	3.8
105.07014	10.5
106.07337	0.2
109.06475	0.2
109.50765	0.1
109.87723	0.1
111.08050	0.6
115.05470	0.2
117.07005	0.5
118.07798	0.1
123.08060	0.5
124.73557	0.1
127.07551	0.2
131.08528	0.7
133.10106	100.0
134.10429	1.8
147.08025	2.7
147.09094	0.2
149.09601	0.6
153.09094	0.3
165.09081	0.2
169.08638	0.2
171.10112	0.4
178.15924	0.1
189.11145	0.2
206.58420	0.1
219.70442	0.1
286.81366	0.2
467.76050	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	485.3257
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
55.05508	18.1
57.07063	6.2
59.04960	3.2
67.05504	21.1
69.03402	9.9
69.07057	40.1
71.04978	6.0
71.15454	4.1
71.15807	8.6
76.15299	3.5
79.05473	23.7
81.03407	6.5
81.07049	46.4
83.04977	5.8
83.08606	11.2
84.24492	4.2
85.02891	8.7
85.06522	5.3
91.05461	30.5
93.07039	56.2
93.07600	6.2
95.04955	7.4
95.08595	59.1
97.06523	15.3
99.04413	3.2
99.08062	6.4
105.07014	73.3
107.08582	83.1
109.06508	8.2
109.10137	38.5
111.08057	4.1
113.09643	7.9
115.07553	5.8
117.07006	12.0
119.08556	97.1
121.06479	12.1
121.10117	71.0
123.08063	8.0
123.11691	10.9
125.09628	8.1
127.03883	5.6
128.06216	4.6
129.06975	11.6
130.07802	4.4
131.08545	49.2
133.06476	5.9
133.09164	5.4
133.10121	56.6
135.08046	9.8
135.11650	23.7
137.09581	10.1
139.11238	4.3
141.06970	4.0
142.07773	8.1
143.08543	31.9
144.09334	5.6
145.02760	4.1
145.10098	80.9
147.08022	6.4
147.11678	42.9
149.09567	10.4
149.13223	19.8
151.11217	3.9
153.09164	3.8
155.08531	14.1
156.09311	10.1
157.10078	48.0
158.10933	6.0
159.08125	5.4
159.11659	71.8
161.09628	9.7
161.13228	36.1
163.07510	6.0
163.11156	28.0
163.14810	13.3
167.08530	5.0
168.09270	5.2
169.10117	15.9
170.10941	5.7
171.11665	32.3
173.09561	4.8
173.13251	57.5
175.11130	9.6
175.14803	44.6
177.12759	9.4
177.16365	32.2
182.10939	4.7
183.11661	17.5
184.12434	4.3
185.13217	44.8
185.14565	4.6
187.11223	8.6
187.14798	74.1
189.12717	11.4
189.16327	29.6
191.14296	21.5
191.17964	10.1
197.13245	24.6
199.14812	46.4
201.12743	13.2
201.16360	31.0
203.14279	26.2
203.17957	14.1
205.15860	100.0
205.17740	7.2
207.17526	7.7
211.14844	7.3
213.16397	14.7
215.14294	23.5
215.17906	9.7
217.15874	14.1
218.87271	3.4
219.13818	7.1
219.17407	30.7
221.15346	25.5
225.16415	6.8
227.14200	5.2
227.17960	6.4
229.15900	8.9
231.17503	7.8
233.15359	17.0
235.17032	7.1
237.18526	4.7
245.15433	9.0
247.13234	4.5
247.16974	5.2
261.14859	10.7
279.16162	4.1
289.43222	3.3
373.27924	3.8
393.31247	4.4
403.29874	17.6
405.31384	5.2
409.31079	7.6
421.30911	57.8
422.30933	4.0
423.32349	4.9
431.29529	5.6
437.30670	5.1
439.31973	24.7
449.30536	20.2
465.05817	3.7
467.31442	31.2
485.32819	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	485.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41518	1.8
55.05506	10.0
57.03410	2.4
57.07057	2.5
63.00541	1.7
66.41245	1.6
67.05490	16.1
69.03434	2.1
69.07069	13.2
71.04946	2.1
79.05471	13.3
81.07041	32.8
83.04961	6.1
83.08595	6.7
85.25446	1.9
91.05462	19.5
93.07033	38.3
95.04964	4.4
95.08594	44.2
97.06508	7.0
98.21464	4.0
98.98463	2.6
99.08079	3.4
105.07019	51.9
106.07304	1.6
107.08577	47.1
109.06493	5.8
109.10139	20.2
111.08049	5.5
117.07001	12.7
119.08565	83.5
121.06476	7.6
121.10135	27.6
123.08038	7.2
123.11693	8.3
125.09624	1.9
128.06221	2.7
129.06989	9.2
130.07765	3.7
131.08545	40.8
133.10109	39.4
135.08014	7.2
135.11681	11.7
137.09604	2.9
137.13271	1.8
141.06938	3.8
142.07755	7.7
143.08546	19.1
144.09344	4.1
145.10106	85.8
147.08049	2.9
147.11670	25.4
149.09615	4.2
149.13251	20.2
153.08902	2.0
155.00983	2.8
155.08534	6.6
156.09285	10.1
157.10106	36.5
158.10873	6.7
159.11668	47.7
161.09586	6.2
161.13255	19.6
163.07478	3.9
163.11151	7.8
163.14783	17.6
167.08530	2.6
169.10100	7.5
170.10854	8.8
171.11674	21.5
172.12396	3.2
173.09438	2.1
173.13237	46.5
174.58145	1.8
175.11197	3.4
175.14793	20.9
177.12738	6.1
177.16347	12.6
181.10066	5.6
182.10941	2.9
183.11668	16.5
184.12410	3.3
185.13240	32.1
187.14795	100.0
189.12700	5.3
189.16353	21.4
191.14262	24.7
195.11705	2.6
197.11568	2.5
197.13264	7.9
199.14810	41.6
201.12746	5.0
201.16365	40.7
203.14285	9.5
203.17972	6.9
205.15858	23.1
209.13237	2.6
211.14801	4.8
213.16321	8.3
215.14233	5.8
215.17885	6.6
217.15826	8.5
219.13832	2.9
219.17432	3.4
221.15410	5.0
223.14783	3.4
225.16333	3.2
227.17941	4.7
229.15883	2.0
229.19440	2.1
231.17380	4.3
233.15407	9.9
233.18980	2.3
235.16815	3.0
237.16362	3.4
239.17908	3.5
245.15312	2.7
253.19580	2.3
255.21071	2.1
264.43079	2.1
265.19415	2.3
267.20993	2.0
340.41379	2.0
391.29782	2.9
403.29779	6.7
405.31406	4.4
421.30957	9.4
423.32471	3.4
431.29297	2.8
437.30481	6.7
439.31906	7.7
441.33682	3.9
446.88284	1.8
449.30457	8.0
467.31625	4.1
485.32721	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	485.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37386	2.2
50.93933	2.3
53.03935	3.5
55.05500	14.2
67.05486	11.8
69.03363	3.1
69.07049	11.8
69.65195	2.8
69.65529	23.9
71.04974	3.7
79.05486	21.3
81.07035	34.3
83.04954	8.5
83.08604	6.7
91.05470	27.0
92.45739	2.6
93.07035	32.7
95.04957	8.5
95.08592	45.4
97.06525	4.1
97.10162	3.1
105.07011	58.9
107.08578	49.4
109.06493	7.0
109.10132	22.1
109.15967	2.6
111.04407	6.9
111.08086	3.2
117.06995	9.6
119.08559	100.0
121.06505	4.0
121.10139	31.9
123.08074	6.4
123.11664	6.6
125.09577	3.5
129.06978	8.2
130.07756	5.6
131.08556	42.4
133.10114	54.9
135.08017	9.0
135.11661	14.9
137.09561	4.8
142.07736	8.1
143.08543	22.8
144.09286	5.9
145.10100	88.9
147.07925	3.3
147.11659	34.2
149.09587	4.2
149.13226	12.7
151.07507	3.3
151.11205	3.0
155.08453	5.3
156.09267	6.8
157.10109	38.1
158.10878	7.4
159.05960	2.6
159.11681	54.5
161.09555	6.7
161.13211	22.4
163.07481	7.8
163.11140	6.1
163.14804	12.6
169.10095	8.2
170.10902	4.5
171.11656	29.7
172.12387	3.8
173.13246	51.5
175.11121	4.4
175.14806	35.6
177.12753	3.7
177.16377	11.9
183.11665	14.1
184.12405	4.2
185.13229	31.5
187.14798	48.1
189.12756	6.4
189.16402	20.1
191.14287	18.9
197.13269	8.7
199.14769	49.8
201.12724	7.7
201.16367	35.3
203.14333	21.6
203.17963	9.9
204.14835	3.0
205.15918	14.7
211.14758	5.0
213.16304	19.8
215.14220	3.5
215.17957	6.4
217.15857	12.8
221.15399	16.1
223.14873	3.9
225.16376	4.1
229.15935	5.3
231.13919	4.5
233.15347	6.3
235.16928	6.4
245.15390	11.4
247.13115	4.2
247.16963	8.2
258.16064	2.8
265.19418	3.7
375.30649	5.6
393.31421	7.0
403.29865	11.0
405.31271	4.4
421.31195	14.9
431.29352	5.5
439.32199	15.1
449.30490	16.1
467.31659	12.9
485.32883	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.05489	16.5
57.07064	4.9
67.05495	23.6
69.03423	10.2
69.07063	17.1
70.06567	6.0
70.35816	12.4
70.85287	2.9
71.04974	9.1
73.02918	3.4
79.05455	20.6
81.03408	9.9
81.07047	61.6
83.04959	18.6
83.08605	7.9
85.02879	15.9
85.06513	5.3
86.09676	5.0
89.02570	3.0
91.05466	29.7
93.07026	46.0
95.04954	11.7
95.08596	57.8
97.02880	7.5
97.06557	7.5
97.10117	5.2
99.04445	4.2
99.08070	10.3
105.07020	65.2
107.04972	3.1
107.08581	50.8
109.02869	8.5
109.06517	10.5
109.10130	24.3
111.04419	7.2
111.08099	6.4
113.09586	3.4
117.03391	3.6
117.07021	13.1
119.04926	6.8
119.08564	100.0
121.06510	11.2
121.10117	33.7
123.08043	12.6
123.11700	9.6
125.09563	5.9
127.03880	6.1
128.06175	5.4
129.06996	7.7
131.08548	43.0
133.10104	47.2
134.16968	3.0
135.08063	10.4
135.11668	18.7
137.05966	6.2
137.09673	6.9
138.02606	3.3
142.07776	12.6
143.08511	26.0
145.02837	6.1
145.10110	80.9
147.04387	31.1
147.08026	5.9
147.11665	38.2
148.04704	3.2
149.05984	5.1
149.09602	8.7
149.13255	12.3
151.07486	7.8
155.08548	8.4
156.09314	7.8
157.10117	43.7
158.10851	7.4
158.99274	3.1
159.08102	5.1
159.11674	55.9
161.06006	5.0
161.09608	9.6
161.13222	28.0
163.03847	3.8
163.07541	7.6
163.11160	8.7
163.14804	10.6
163.65523	3.4
169.10074	17.1
169.84613	3.5
170.10849	9.0
171.11691	24.9
173.09650	4.3
173.13251	50.3
175.07568	3.7
175.11186	5.5
175.14798	28.1
177.05418	16.8
177.12665	7.1
177.16368	7.2
183.11679	18.8
184.12427	4.2
185.13248	33.2
187.13255	6.5
187.14803	54.1
189.12723	8.4
189.16379	14.3
191.14282	19.6
193.15848	3.8
197.13254	11.9
199.14786	53.3
201.12830	4.7
201.16377	44.0
203.14336	20.8
203.17889	4.6
205.15892	16.4
211.14806	6.2
213.16330	15.7
215.14355	6.3
215.17949	6.6
217.15860	16.3
219.13858	5.7
221.15315	18.0
227.17914	7.7
229.15817	5.0
231.13702	5.2
231.17407	3.8
233.15381	8.3
237.14615	4.2
239.17964	5.0
243.17505	3.6
245.15346	13.3
247.17023	6.9
253.19577	3.9
269.22543	3.3
295.05966	3.3
323.05420	5.8
403.29953	9.0
405.31555	6.4
421.31021	18.9
423.32611	6.1
431.29779	4.0
437.30322	3.9
439.32095	15.0
441.33224	5.5
449.30441	26.3
467.31818	16.5
485.13788	16.2
485.19965	20.1
485.32571	28.7
505.11841	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	485.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	16.6
67.05497	21.8
69.03395	9.2
69.07045	19.4
70.95386	7.3
70.95749	9.6
71.04967	7.0
75.59335	3.5
79.05479	21.4
81.03391	3.8
81.07049	42.1
83.04958	10.6
83.08604	7.8
85.02882	9.1
85.06551	5.4
85.68317	3.6
91.05460	36.6
92.18230	3.7
93.07033	36.8
95.04942	8.4
95.08593	63.7
97.06503	9.1
99.08102	4.8
99.38741	3.8
103.05426	4.7
105.07013	65.3
107.08581	60.9
109.06491	14.4
109.10143	27.6
111.08084	4.4
117.03384	4.3
117.07000	14.5
119.04921	6.1
119.07731	7.2
119.08553	100.0
121.06490	5.7
121.10134	32.5
123.08075	9.4
123.11719	7.7
125.09531	5.2
129.06960	6.9
131.08554	48.5
133.06512	3.7
133.10109	54.8
135.08018	8.8
135.11659	16.3
137.09581	9.1
141.06969	4.6
142.07744	12.0
143.08548	24.5
145.02815	9.4
145.10101	83.1
147.04391	14.9
147.08047	5.6
147.11678	30.4
149.09581	7.8
149.13246	18.6
155.08589	6.2
156.09312	5.7
157.10103	44.7
158.10881	7.1
159.11665	49.6
161.09592	11.7
161.13237	26.5
163.07484	5.5
163.11188	7.5
163.14752	11.4
169.10100	9.4
170.10895	9.9
171.11667	26.9
173.13222	65.2
175.11105	12.4
175.14819	28.9
177.05428	16.6
177.09068	4.7
177.12723	8.2
177.16365	8.9
183.11688	14.2
185.11673	6.6
185.13179	38.6
187.14799	55.5
189.12747	5.4
189.16301	19.5
191.14281	31.3
193.16006	4.5
195.11652	5.2
197.13187	12.3
199.14796	71.4
201.12805	6.4
201.16370	38.3
203.14333	29.9
205.15857	12.8
211.14771	8.6
213.16322	14.9
215.14142	6.1
215.17885	5.9
217.15871	23.2
219.17343	5.1
221.15276	33.4
225.16342	6.6
227.17871	6.6
229.15904	4.6
229.19717	4.8
231.17386	6.1
233.15318	9.5
235.16881	9.0
237.16539	4.0
243.17465	4.2
245.15453	8.1
269.14993	4.3
283.20538	5.3
383.25797	4.9
391.29913	4.7
403.29852	15.5
421.30994	22.4
423.32327	6.7
437.30353	6.5
439.31857	10.9
441.34219	5.0
449.30478	11.7
467.31851	19.6
477.93027	4.6
485.32690	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	4.8
55.01848	3.9
55.05500	11.5
55.21754	3.4
57.03432	4.7
57.07047	6.1
65.03932	5.7
67.05479	15.7
67.42799	3.6
68.39985	3.1
69.03406	7.5
69.07058	14.4
70.39307	3.5
71.04975	6.8
71.05836	7.1
71.06193	5.7
72.52925	3.2
79.05482	16.6
81.06594	4.5
81.07043	38.0
83.04956	5.1
83.08612	4.1
85.02905	6.1
85.06522	5.6
86.09695	3.3
86.27953	3.3
90.72285	2.7
91.05474	47.2
93.07039	32.5
95.04968	5.5
95.08595	42.1
97.06521	8.8
99.08107	4.2
105.07022	62.2
107.08576	49.2
109.06528	12.0
109.10125	22.5
116.63480	3.0
117.03356	3.2
117.07014	10.9
119.08564	100.0
120.08876	4.2
121.06501	8.0
121.10129	40.6
121.16564	2.9
123.08083	8.4
123.11682	7.8
125.09644	5.0
129.07001	9.7
131.08560	44.0
133.10112	59.5
135.08028	5.5
135.11667	15.3
135.19479	3.8
137.09601	6.4
141.07004	3.4
142.07796	4.4
143.08583	24.4
144.09364	4.4
145.02794	4.0
145.10126	60.5
147.04370	13.2
147.07993	4.1
147.11652	36.5
149.09625	9.7
149.13252	15.1
151.07521	3.3
151.11104	3.4
155.08524	5.2
156.09399	5.8
157.10112	44.6
158.10866	10.8
159.08173	3.6
159.11679	53.3
161.09592	10.4
161.13248	18.5
163.07523	4.8
163.11153	6.9
163.14819	13.9
164.15149	3.1
169.10135	7.5
170.10886	5.9
171.11705	24.4
173.13264	51.7
175.11235	6.0
175.14816	23.3
177.05452	12.0
177.16411	7.2
181.10205	5.0
183.11696	12.7
184.12427	4.9
185.13252	33.4
187.14790	55.3
189.12724	7.3
189.16322	17.4
191.14253	26.1
193.15860	6.5
195.11621	5.0
197.13275	15.0
199.11182	3.6
199.14796	50.2
201.12682	6.3
201.16362	33.9
203.14294	19.5
203.17999	6.1
205.15817	18.7
209.13257	3.9
211.14737	4.8
213.16339	15.9
215.14247	9.5
215.17921	5.6
217.15794	20.5
219.13835	4.8
219.17401	7.7
221.15300	27.3
223.14810	4.3
225.16492	3.3
233.15288	7.8
235.16986	7.6
245.15388	9.6
279.15829	4.0
301.71027	3.4
403.30005	11.2
421.31033	26.6
423.32248	5.0
431.29297	4.0
439.16513	3.8
439.31821	13.9
449.30447	8.1
467.31729	18.0
485.32599	20.6
506.26715	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80483	1.8
54.96977	2.1
55.05498	9.4
57.07064	2.7
67.05497	14.3
69.03434	3.2
69.07054	9.0
69.60817	18.0
69.61147	2.4
71.04970	2.2
79.05476	16.6
79.73580	2.3
81.07043	28.2
83.04971	10.8
83.08602	4.7
85.06525	2.1
91.05467	23.3
93.07028	30.4
95.04964	6.7
95.08593	41.4
97.06519	5.5
98.20695	4.3
99.08057	2.1
103.05449	2.3
105.07017	50.3
106.07308	1.9
107.08579	43.5
109.06500	4.3
109.10126	19.8
110.51093	1.9
111.04423	6.6
111.08050	4.6
117.07011	12.5
119.08562	100.0
121.06490	5.8
121.10121	24.4
123.08080	8.4
123.11684	6.7
125.09629	3.7
128.06184	5.4
129.06996	7.7
130.07729	3.6
131.08551	44.5
131.09454	3.9
132.64297	2.1
133.06531	1.9
133.10114	36.0
135.08034	7.2
135.11688	13.1
137.09691	2.9
141.07022	3.3
142.07750	10.3
143.08548	23.8
144.09366	4.9
145.10104	79.4
147.08066	3.2
147.11665	34.7
149.09581	5.9
149.13225	12.7
151.07495	2.1
151.11214	3.0
155.08516	4.7
156.09363	7.5
157.10103	38.3
158.10855	6.3
159.11667	58.4
161.09586	7.6
161.13220	20.2
163.07587	5.3
163.11153	5.7
163.14819	8.2
169.10115	8.2
170.10898	6.9
171.11652	26.2
172.12494	3.3
173.13245	57.8
175.11238	3.4
175.14801	43.8
177.12787	4.5
177.16367	10.3
179.14351	2.6
181.10136	2.9
183.11664	14.1
185.09508	2.3
185.13255	26.3
187.14795	52.0
189.12743	4.2
189.16351	17.5
191.14285	31.9
193.15921	2.4
195.11707	3.5
196.12515	2.7
197.13263	8.1
199.14799	63.9
201.12744	5.9
201.16350	44.4
203.14305	30.0
203.17924	6.2
205.15933	19.2
209.13322	3.1
211.14806	6.8
213.12715	3.1
213.16335	16.2
215.14343	8.5
215.17888	5.0
217.12352	2.2
217.15866	22.3
219.13721	5.1
221.15311	29.6
223.14771	2.8
227.14334	3.2
227.17986	4.7
231.13744	3.1
231.17490	6.4
233.15347	8.0
235.16858	4.4
241.19394	4.1
245.15338	18.0
247.16988	5.1
255.17345	2.3
259.17032	4.3
267.21069	3.9
345.25946	2.6
375.30243	3.0
391.25809	3.5
403.29868	14.0
405.31421	7.6
421.31009	14.9
431.29633	4.7
439.32037	6.4
441.33734	3.4
449.30405	28.0
467.31488	16.1
485.32657	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	485.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.5
53.03935	3.6
53.90239	1.8
55.05511	11.5
57.07070	4.1
57.68742	1.7
63.70264	1.7
65.03927	2.0
67.05500	18.3
69.03420	5.2
69.07063	11.2
70.13210	9.3
71.04964	6.4
74.03155	1.9
77.03931	2.1
79.05484	18.4
81.03398	4.4
81.07047	43.0
83.04977	16.3
83.08607	6.5
85.02908	8.8
85.06535	4.0
89.03893	1.8
91.05464	30.9
92.90009	1.7
93.07037	36.6
95.04950	7.3
95.08596	44.1
97.02890	4.0
97.06509	5.3
98.20848	3.0
99.04460	2.3
99.08063	2.5
103.45626	1.7
105.07016	60.8
107.04958	2.7
107.08585	50.0
109.02864	3.6
109.06515	6.4
109.10142	24.9
111.04385	1.8
111.08076	4.4
115.05447	4.4
116.98597	1.8
117.03402	2.7
117.06996	13.5
117.61448	1.8
119.08575	99.6
120.08907	2.5
121.06509	9.5
121.10124	31.6
123.08031	6.8
123.11673	9.1
125.09638	3.4
127.03897	2.8
128.06229	7.2
129.07004	9.4
130.07802	5.1
131.08548	53.0
133.06476	3.1
133.10115	45.6
135.08046	7.8
135.11687	12.3
137.05933	3.6
137.09607	4.6
137.13225	2.7
141.06972	3.7
142.07759	11.1
143.08539	25.3
144.09288	3.4
145.02832	7.2
145.10107	100.0
147.04410	3.8
147.08049	2.9
147.11681	28.0
149.09665	5.0
149.13231	15.2
151.11200	2.5
155.08542	8.5
156.09262	12.3
157.10117	53.4
158.10907	6.0
159.08076	3.0
159.11684	62.1
161.09604	8.4
161.13261	16.5
163.07542	8.4
163.11169	6.1
163.14796	15.3
169.10104	8.8
170.10890	16.2
171.11684	23.0
172.12444	2.8
173.09566	2.1
173.13243	58.8
175.11183	5.6
175.14809	25.1
175.58278	1.7
177.05487	16.2
177.09059	1.8
177.12755	5.4
177.16309	8.7
181.10115	5.2
182.10883	3.8
183.11685	25.5
184.12436	6.1
185.13232	52.6
186.13762	2.3
187.14801	89.7
189.09239	2.7
189.12727	3.7
189.16373	20.6
191.14290	18.4
195.11758	4.2
197.13222	13.3
199.14803	71.9
201.12708	3.0
201.16367	45.1
203.14334	16.8
203.17950	5.7
205.15848	28.8
209.13356	4.4
209.15373	8.4
211.14911	3.1
213.16364	14.2
215.14311	7.0
215.17993	8.2
217.15848	16.5
219.13716	4.8
219.17444	4.1
221.13385	3.4
221.15260	10.9
223.10959	1.8
225.16527	2.7
227.17953	5.1
229.15970	4.1
229.19539	2.6
231.17418	5.2
233.15369	8.5
233.19089	4.8
237.16554	4.1
239.17926	5.0
241.19395	2.7
245.15373	8.6
247.16905	4.8
251.17920	3.6
253.19438	2.4
297.22018	2.1
323.05624	3.2
385.29218	3.0
387.30115	3.1
403.29996	7.0
405.31586	5.3
408.84644	2.3
419.29532	5.1
421.30981	8.3
431.29364	3.8
437.30377	5.9
439.31921	5.7
441.33441	2.0
449.30746	12.6
467.31393	5.7
485.20224	5.8
485.32645	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.1
61.91515	0.8
65.03926	1.9
67.05479	3.0
69.03413	3.3
69.07057	2.5
70.06584	0.8
70.61308	0.8
71.04987	1.6
71.51360	1.7
79.05480	3.1
81.03411	4.6
81.07037	5.5
82.07406	0.9
82.51297	0.7
83.08611	1.6
84.04562	0.8
84.15553	0.8
85.02897	3.5
85.06547	0.9
86.09692	1.2
89.03905	1.9
91.05466	12.5
93.07043	4.2
95.04919	1.2
95.08603	7.3
97.02882	2.1
97.06502	1.6
99.04447	1.5
99.08086	1.8
105.07016	8.4
107.04941	1.3
107.08586	9.5
109.02867	2.9
109.06474	2.1
109.10136	3.5
115.62118	0.8
117.03354	3.0
117.07040	2.0
119.04929	22.1
119.08559	10.1
120.08904	0.9
121.06500	1.5
121.10156	6.1
123.04427	4.3
123.08064	1.5
123.11697	1.7
125.09630	1.3
127.03887	1.4
131.08577	5.1
133.02832	5.1
133.10104	5.5
135.04399	6.7
135.08002	1.4
135.11699	3.1
137.05945	2.0
137.09583	1.1
140.38588	0.9
143.08551	2.2
145.02818	2.8
145.10107	7.6
147.04393	100.0
147.11670	6.0
148.04733	1.4
149.09615	1.0
149.13248	2.0
151.07527	1.1
151.11122	0.9
155.08434	0.9
157.10146	4.0
159.11629	3.7
161.09569	0.8
161.13278	3.0
163.03888	24.3
163.07524	3.1
163.11140	0.9
163.14822	0.9
165.05513	4.4
166.07661	0.8
169.10085	1.2
171.11598	1.6
172.12247	1.1
173.13234	5.8
175.03812	1.1
175.11185	1.0
175.14850	4.9
177.12846	0.7
177.16393	1.6
177.58963	0.9
179.03387	14.7
183.11664	1.0
185.13268	4.1
187.14780	7.8
188.15073	1.5
189.16507	1.5
191.14262	1.9
197.13234	1.0
199.14801	3.3
200.15192	0.9
201.12651	1.0
201.16393	5.3
202.16753	1.0
203.14287	2.4
203.17944	2.5
205.15880	3.5
209.13316	0.9
213.16397	1.5
215.18010	1.3
217.16125	0.9
219.17586	1.1
221.15375	2.6
247.16866	0.8
249.14799	0.9
265.76941	0.8
279.06476	0.9
291.08572	5.5
307.26505	0.9
405.31583	2.5
423.32541	1.3
441.29004	1.0
451.31845	2.9
469.15289	1.2
469.32910	1.5
487.24576	2.6
487.30862	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33702	3.8
53.45272	4.1
55.01864	7.6
57.03423	6.2
69.03426	27.7
70.05354	18.5
70.05764	8.8
70.06585	17.3
71.04993	14.6
72.08145	7.5
73.02917	6.3
79.05515	7.0
81.03389	31.2
81.07043	6.8
83.04964	8.8
84.04500	7.6
84.08109	6.2
85.02885	28.5
85.07658	16.2
85.11710	4.4
86.09710	19.0
87.04466	6.4
87.09998	4.7
91.05468	21.7
97.02880	19.6
98.97525	5.4
99.04443	16.3
101.37974	5.1
103.68599	4.1
105.07007	7.3
107.08598	4.7
109.02885	8.4
115.03937	10.1
119.08597	8.1
127.03958	7.5
133.28537	4.0
135.04405	5.9
137.05949	4.5
145.07576	5.7
145.10091	6.8
147.04395	17.5
147.09142	10.0
163.03912	21.8
163.07524	4.6
173.07100	8.1
175.08685	7.5
184.07324	14.8
185.07674	5.8
191.08134	100.0
193.04922	24.3
206.04315	5.4
245.11482	5.0
247.16917	4.4
307.12735	29.2
325.13885	77.1
325.17517	5.6
409.99936	4.7
451.22943	5.1
487.17334	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
55.01849	3.9
55.05501	12.1
57.03165	1.0
57.03429	13.7
57.07053	3.1
65.03923	2.2
67.05495	29.6
69.03416	1.9
69.07060	10.4
69.70322	8.5
71.04976	2.4
71.08623	1.5
79.05484	29.6
81.03393	2.5
81.07042	34.1
83.04955	2.1
83.08601	4.3
85.06525	2.4
85.10220	1.2
91.05463	44.3
93.07029	39.2
95.04944	4.6
95.08588	26.6
97.06517	5.8
97.10152	1.3
98.98450	100.0
99.08094	2.3
102.12842	1.1
103.05440	1.2
105.07014	52.9
107.04934	2.3
107.08577	26.7
109.06500	3.3
109.10138	11.4
111.08081	1.7
112.50755	0.9
113.09674	1.1
115.05440	1.3
116.99483	2.7
117.06998	15.6
119.08565	54.9
120.08862	1.9
121.06503	1.6
121.10124	21.1
123.08108	1.7
123.11683	4.2
125.09576	1.3
128.06195	3.4
129.05484	5.4
129.06979	11.0
131.08551	25.1
131.51537	1.1
133.06503	1.6
133.10109	40.7
135.08032	3.3
135.11664	18.1
136.99965	2.1
137.09554	2.0
141.06966	1.5
142.07741	2.6
143.08540	12.8
144.09358	1.1
145.10100	26.5
147.08037	4.3
147.11661	30.4
148.12074	1.3
149.09599	2.7
149.13229	9.6
151.11134	1.7
155.01018	99.6
155.08452	2.5
156.09254	1.4
157.10100	16.5
159.11674	20.5
161.09560	3.3
161.13237	31.0
162.13492	1.3
163.03859	3.1
163.11147	2.8
163.14757	5.2
169.10080	2.0
170.10852	2.2
171.10173	1.7
171.11656	19.0
172.12439	1.0
173.02063	2.6
173.13234	17.0
175.11188	3.7
175.14798	27.5
176.15225	1.2
177.12718	3.9
177.16394	2.9
179.14372	1.5
183.11639	1.3
185.11566	1.1
185.13228	23.3
185.14786	2.1
187.14804	8.9
189.12721	4.4
189.16313	4.6
191.14371	1.5
197.13327	1.4
199.14780	10.7
201.16345	2.5
202.16699	1.2
203.14279	9.0
203.18011	1.8
205.15866	3.7
207.17323	1.1
211.03682	6.1
211.14908	1.2
213.16362	4.3
215.14252	1.1
215.17921	5.2
217.15923	2.2
217.19450	12.0
219.17679	1.1
222.66173	1.1
229.04695	17.2
231.17453	1.9
231.20996	7.5
241.19473	68.7
242.19800	1.8
243.20961	2.3
247.05875	1.6
248.13596	2.0
249.14798	2.1
259.20535	80.5
260.21017	2.8
271.20621	1.4
275.20197	1.2
297.22049	1.5
300.86923	0.9
315.23221	6.7
333.24188	73.2
334.24524	2.3
374.33490	1.1
405.31506	3.2
413.20853	10.4
423.32300	3.5
441.33649	13.2
451.32217	1.0
469.23322	6.2
469.29391	1.4
469.32355	1.0
487.23889	5.2
487.33600	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	487.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.0
53.03756	0.9
53.03939	10.8
55.01873	2.8
55.05508	22.3
57.03418	3.5
57.07068	1.2
65.03931	5.2
67.05495	70.1
69.03423	1.2
69.07060	12.5
71.04976	2.7
73.06534	1.8
77.03929	2.1
79.05484	100.0
80.05834	1.5
81.03395	10.7
81.07047	51.2
83.04964	16.8
83.08603	6.1
85.06521	3.0
91.05466	73.5
92.05804	1.3
93.07030	69.6
95.04956	34.8
95.08591	36.0
97.06529	8.5
97.10158	5.7
103.05450	2.5
105.04527	2.4
105.07013	52.3
107.04936	8.0
107.07908	2.1
107.08585	23.2
109.06487	8.5
109.10130	5.3
111.08032	2.5
115.05395	2.1
117.07013	11.4
119.08560	29.6
121.06489	4.1
121.10133	6.4
123.08051	8.0
127.07523	1.3
128.06206	3.6
129.06999	19.9
131.08539	4.3
133.06464	2.0
133.10114	15.6
135.11693	3.1
137.09576	1.6
141.07027	1.4
143.08554	10.3
145.10127	15.2
147.07999	2.6
147.11671	42.6
156.09390	1.8
159.11703	3.0
161.09618	5.7
161.13232	19.1
163.11191	2.3
169.09982	1.6
171.11676	34.7
172.12006	1.3
179.14305	6.2
187.14882	1.2
189.12733	14.4
203.14580	1.2
207.13774	44.9
208.14116	1.2
225.14810	8.5
281.17407	3.2
331.05972	1.1
393.68829	1.2
441.33649	1.4
469.28979	1.2
487.30414	42.7
488.30902	1.9
491.27209	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.3
53.03945	11.6
54.27654	0.9
55.01854	4.2
55.05506	24.8
57.03406	2.7
65.03934	4.8
67.05498	65.4
69.03395	1.3
69.07062	10.3
71.04984	3.1
73.06520	3.1
77.03915	2.1
79.05482	100.0
81.03413	12.5
81.07045	56.9
83.04971	16.3
83.08604	9.6
85.06537	2.9
91.05471	80.8
93.07033	73.1
94.07365	1.5
95.04958	35.3
95.08589	33.8
95.09193	2.0
97.06526	8.2
97.10138	4.5
103.05460	1.6
105.04493	2.3
105.07018	60.8
107.04958	9.1
107.08577	24.2
109.06503	12.5
109.10146	6.4
111.08078	2.0
115.05436	2.2
117.07011	11.6
119.08572	31.4
121.06512	4.8
121.10149	7.2
123.08062	9.1
125.09608	1.1
127.07539	1.7
128.06192	4.6
129.06078	1.7
129.06990	23.1
130.07825	1.1
131.08540	5.1
133.06506	0.9
133.10123	13.6
135.08052	1.6
135.11674	2.8
137.09631	1.7
141.09091	2.1
142.07767	1.4
143.08536	10.9
145.10103	11.4
147.08040	2.1
147.11670	41.9
156.09331	1.6
159.11620	1.9
161.09616	4.4
161.13234	20.7
163.11169	1.9
169.10083	1.6
171.11673	38.8
179.14302	4.9
189.12700	16.4
189.16368	1.1
192.03748	1.0
207.13788	40.1
225.14774	5.4
229.74826	1.0
253.69957	1.1
263.16382	1.1
281.17480	3.4
404.91345	1.0
487.30475	43.2
488.30850	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	4.9
54.59118	3.2
55.05494	16.9
55.41502	3.6
67.05495	27.4
69.03429	8.2
69.07043	10.9
71.15490	9.1
71.15827	7.8
73.64104	3.9
79.05486	18.6
81.07042	53.4
81.80324	3.3
83.04970	16.8
83.08606	9.5
91.05468	31.3
93.07026	47.9
94.06125	3.6
95.04971	7.9
95.08585	62.5
97.06554	8.8
99.08087	11.0
100.11249	4.3
100.58175	3.7
103.33472	4.4
105.07007	50.9
107.08574	83.3
109.06499	8.1
109.10127	35.9
111.08081	7.9
117.07016	9.5
119.08558	100.0
121.10128	50.8
123.08064	8.3
123.11686	12.6
125.09617	20.1
127.72933	3.7
129.06969	9.4
131.08572	39.5
133.10100	56.4
135.08064	6.7
135.11700	28.5
143.08568	26.2
144.09294	4.7
145.10088	51.6
147.11664	39.7
149.09618	7.0
149.13263	11.5
151.11176	5.5
155.08548	5.6
156.09346	4.9
157.10085	29.7
159.08025	4.6
159.11647	41.8
161.09665	6.9
161.13295	21.7
163.04022	4.2
163.07521	8.5
163.14786	7.9
165.12825	4.9
169.10114	9.5
170.10880	5.3
171.11653	19.4
173.13232	34.9
175.14819	30.1
177.16371	11.6
183.11687	15.3
185.09566	4.4
185.13171	26.0
187.11163	5.3
187.14813	53.4
189.16351	13.8
191.14264	6.6
197.13194	10.3
199.14795	33.4
201.12822	5.3
201.16335	45.8
203.14262	25.2
205.15843	15.6
207.17358	5.1
209.13313	4.6
211.14835	8.6
213.12802	5.7
213.16376	20.2
215.13995	5.4
217.15857	10.7
219.13727	5.8
219.17404	7.6
221.15236	7.3
231.17451	4.3
233.15387	6.4
239.17947	3.8
241.19466	4.4
245.15364	6.8
247.17039	6.1
249.14951	7.1
251.17859	4.5
253.19521	6.3
255.21092	6.0
259.17007	5.8
265.19492	4.3
293.22269	4.5
387.30475	7.1
405.31445	44.2
411.28442	4.1
423.32944	19.0
433.30936	21.0
451.32101	28.3
469.28113	5.0
469.33731	9.9
487.34308	96.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.341
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
51.18610	6.6
55.05495	26.2
61.02865	7.2
67.05486	22.2
69.07050	22.4
69.59676	63.1
71.44810	7.3
73.51403	6.1
76.08816	6.6
79.05471	22.6
81.07051	45.3
81.80172	6.6
83.08597	13.5
91.05446	33.4
91.81764	9.2
93.07023	48.7
95.04938	10.3
95.08596	65.9
97.06519	9.4
99.08080	10.5
105.07016	71.4
107.08580	82.4
108.21489	7.3
109.10152	48.2
109.74459	7.1
117.06989	16.9
119.08549	100.0
121.09280	6.7
121.10098	44.6
123.08129	8.2
123.11678	10.0
125.09607	35.5
125.71183	8.5
127.87383	7.6
129.07002	8.1
131.08539	54.6
133.10115	51.8
135.11668	28.0
143.08524	28.4
145.10094	55.5
147.11668	52.3
149.13203	9.7
155.08559	12.5
157.10091	29.5
159.11705	46.2
161.13199	35.2
163.14828	8.9
171.11658	20.7
173.13229	42.3
175.14812	42.1
177.12662	10.3
183.11545	9.7
185.13194	49.0
187.14784	67.5
189.16342	15.2
194.49577	7.5
197.13280	10.0
199.14748	37.2
201.16374	57.0
203.14316	24.3
203.18057	7.0
205.15865	14.9
213.16312	20.3
215.17862	8.7
217.15802	13.3
219.17456	8.0
221.15283	8.8
231.17397	12.5
241.19409	10.1
245.15276	8.7
247.16959	9.9
249.14722	24.8
253.19554	8.1
271.78268	8.0
358.66806	8.7
387.30258	12.8
405.31491	51.5
423.32501	27.7
427.65976	7.8
433.30820	22.4
441.33368	15.3
451.01120	7.6
451.31992	36.8
469.33102	27.7
487.34399	58.0
505.11166	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	487.341
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.51110	5.7
55.05499	17.3
65.03924	6.4
67.05515	29.3
69.03400	5.4
69.07048	16.9
69.53794	56.1
69.54154	9.2
71.62693	5.3
79.05480	28.3
81.07043	49.1
83.04961	10.0
83.08600	10.1
91.05469	33.2
93.07036	57.7
95.04931	14.0
95.08592	76.4
97.06517	9.1
105.07012	75.4
107.08567	85.4
109.06493	9.2
109.10139	40.5
111.08052	7.5
117.06979	9.4
119.08562	100.0
121.10122	46.6
123.11707	9.3
125.09634	13.8
131.08531	45.8
133.10094	73.8
133.11011	6.9
135.08110	8.3
135.11670	22.7
143.08554	21.7
145.10080	81.7
147.11665	47.7
149.13264	20.3
157.10091	36.1
158.10919	5.8
159.11694	59.2
161.09494	7.6
161.13225	32.8
163.11113	10.4
163.14813	21.7
169.10098	7.0
171.11678	20.2
172.12515	5.9
173.13223	62.1
175.14775	42.4
177.16368	18.8
183.11668	9.4
185.13176	41.9
187.14815	66.4
189.12645	10.4
189.16348	31.7
191.14244	29.0
191.17957	11.6
199.14828	40.2
201.16338	97.9
203.14256	19.8
203.17932	22.6
205.15866	16.1
213.16357	23.3
215.17909	11.2
217.15852	17.6
219.17380	12.9
221.15359	29.2
223.14731	5.9
223.16888	7.3
227.17944	7.4
229.15939	5.7
229.19504	6.8
231.17433	7.2
235.16936	5.3
241.19405	7.1
247.16920	19.4
249.14781	13.3
265.19675	6.8
267.20972	6.9
275.04550	5.6
281.22739	6.6
387.30365	13.4
405.31458	50.1
407.33286	9.1
423.32574	37.2
425.33640	7.8
433.31110	10.8
445.79984	6.2
451.32092	37.0
452.31992	8.4
469.33145	33.6
487.34167	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	487.3413
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
55.05492	13.7
57.07060	7.1
57.25482	6.7
57.60672	5.6
57.61344	7.0
60.78241	7.1
65.74556	6.2
67.05478	25.6
69.07058	22.7
70.67567	6.5
71.15672	14.4
73.25512	7.2
79.05476	27.8
81.07056	34.3
83.08600	12.3
91.05466	28.2
93.07027	63.7
95.08582	45.9
99.08070	25.6
105.07018	63.7
107.08580	100.0
109.06504	9.9
109.10141	57.3
117.07014	21.7
119.08564	89.6
121.10130	54.0
123.11675	19.8
125.05989	6.6
131.08560	48.8
133.10107	84.0
135.08102	7.2
135.11674	39.8
143.08502	25.7
144.09273	8.4
145.10121	83.5
147.11679	80.5
149.13229	22.6
153.12682	8.1
155.08490	7.8
157.10077	43.4
159.11670	58.5
161.13268	44.0
163.11122	12.0
163.14809	8.4
169.10091	12.9
170.10864	8.7
171.11633	33.7
173.13275	38.3
175.14819	29.6
176.47333	7.0
177.12691	20.1
177.16364	12.1
179.14288	14.2
183.11673	21.8
185.13251	41.3
187.14803	90.2
189.16368	20.0
195.13780	17.1
197.13243	18.8
199.14772	47.1
201.16400	59.2
203.14241	10.5
205.15846	43.9
211.14799	13.7
213.16278	24.6
215.14348	9.3
217.15836	17.7
219.17374	20.3
223.16873	13.4
225.16302	8.9
231.17409	8.2
241.19405	8.6
245.18896	8.0
253.19391	9.8
257.19165	8.2
259.20490	11.1
265.19528	9.1
269.18948	8.2
271.20346	10.0
283.20557	61.7
285.22076	10.7
301.21533	12.7
351.26669	14.8
369.27863	6.6
385.53546	8.0
387.30267	10.7
392.24103	6.8
405.31488	41.1
418.68430	6.4
423.32504	80.5
441.33646	68.7
451.32211	31.7
463.92239	8.0
469.32617	18.2
487.33643	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3411
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05499	16.0
56.80554	4.7
63.74030	4.5
67.05489	27.8
69.03407	8.0
69.07047	15.1
69.56231	50.4
72.53404	5.1
73.67928	5.2
76.19723	4.7
79.05472	20.4
81.07046	37.4
83.08595	15.7
91.05460	35.3
93.07035	49.9
95.04966	6.4
95.08588	62.9
97.06515	7.3
97.46394	5.0
99.08071	13.6
105.07010	66.6
107.08588	67.1
109.06473	7.9
109.10166	26.5
111.08087	7.1
117.07012	13.4
119.08554	100.0
121.06506	8.3
121.10129	43.7
123.07978	6.7
123.11712	12.8
125.09593	11.2
129.00198	5.5
129.07036	8.7
131.08540	51.1
133.10104	48.0
135.11682	31.4
137.09589	6.1
143.08560	19.2
144.09320	6.2
145.10095	78.4
147.11647	42.7
149.09599	11.5
149.13269	12.1
157.10060	30.0
159.11671	47.7
161.09621	6.9
161.13242	31.7
163.07504	9.2
163.11305	7.4
163.14781	10.4
169.10124	6.9
171.11674	21.1
173.09715	5.8
173.13231	52.6
175.11150	5.5
175.14798	31.4
177.16357	15.9
183.11688	12.9
185.13242	42.8
187.14787	68.8
187.81548	5.8
189.16368	22.8
191.14319	19.1
191.17946	7.4
193.15778	6.6
197.13171	12.5
199.14769	36.9
201.16386	59.8
203.14241	40.8
203.18033	8.6
205.15797	33.5
209.13326	6.7
211.14777	10.5
213.16380	20.3
215.17934	11.0
217.15887	13.8
219.17450	16.8
221.15295	13.3
227.17937	12.2
241.19409	5.8
247.16878	6.4
249.14780	30.3
387.30502	11.7
393.31323	6.1
405.31390	38.9
423.32446	28.2
433.30984	22.5
441.33566	34.2
451.31784	30.9
469.32916	21.3
486.54510	6.1
487.34714	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3409
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05492	27.0
65.96667	8.9
67.05485	24.1
69.07050	14.4
69.59619	63.1
69.60034	22.1
71.40221	8.7
74.73814	9.7
79.05485	24.0
79.97417	10.4
81.07041	51.5
83.08601	10.3
91.05482	23.6
93.07030	64.0
95.04967	12.8
95.08578	59.2
97.93378	9.4
99.08081	17.3
102.00179	10.8
104.37614	8.8
105.07021	73.7
107.08562	60.3
109.10133	37.7
119.08572	100.0
121.10107	56.9
123.11707	10.5
125.09586	18.3
131.08536	39.6
133.10072	68.9
135.11688	31.0
138.34070	8.7
140.96477	9.3
143.08517	20.6
145.10095	78.8
147.11719	57.8
149.13199	19.5
157.10103	37.8
159.10432	10.6
159.11584	46.7
161.09499	11.2
161.13217	28.2
163.11116	11.5
163.14728	13.0
171.11633	15.4
173.13261	36.2
175.14815	45.8
177.16489	17.5
185.13240	43.2
187.14769	85.5
189.16321	30.2
199.14789	35.8
201.16306	76.6
203.14352	24.0
205.15883	19.0
211.14796	12.4
213.16307	19.9
219.17525	10.3
225.16452	11.4
231.17444	10.5
231.68178	10.8
241.19518	9.6
249.14685	21.8
351.26633	11.3
405.31683	51.9
423.32327	44.9
433.30893	19.7
451.32327	52.7
469.32956	27.4
487.34375	53.1
505.14426	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	487.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	17.6
57.03436	3.6
67.05483	17.6
68.25058	3.5
69.03402	4.8
69.07047	17.2
70.14878	14.2
79.05479	19.2
81.03403	5.3
81.07042	42.4
83.04953	8.9
83.08593	6.4
85.02888	8.1
89.03851	5.4
91.05455	28.9
93.07025	46.6
95.04939	8.1
95.08009	4.5
95.08587	63.2
97.06503	7.1
97.10140	5.8
99.04404	5.4
105.07015	74.3
107.07909	5.9
107.08579	73.1
109.06470	9.5
109.10137	28.5
111.08106	5.3
115.05418	4.6
117.03393	5.2
117.06945	10.3
118.03652	3.5
119.08568	99.2
121.06493	5.5
121.10125	47.7
123.08028	11.7
123.11668	15.5
127.03872	5.1
129.07010	4.7
131.08549	48.5
133.10103	50.9
135.04402	9.6
135.08012	11.4
135.11658	16.8
137.09653	4.4
143.08504	12.8
145.10106	80.9
147.11641	47.0
149.09564	6.1
149.13203	15.4
157.10080	24.0
159.11668	44.2
161.09560	6.7
161.13219	22.7
163.03900	48.6
163.07463	8.1
163.11166	6.8
163.14754	22.2
169.10062	8.5
170.10779	5.0
171.11659	18.6
172.12378	4.9
173.13246	47.6
175.11156	5.0
175.14806	44.1
177.16377	29.0
185.13264	33.7
187.14784	100.0
189.12625	5.7
189.16409	37.6
191.14305	20.3
191.17928	20.7
193.15884	4.8
197.13243	11.3
199.14813	27.5
201.16357	73.7
203.14285	26.4
203.17871	44.5
205.15849	54.4
207.17316	6.1
209.15332	7.0
211.14771	5.3
213.16351	12.7
215.14240	5.2
215.17845	7.4
217.15858	7.9
219.17307	5.9
221.15327	17.5
223.14571	7.2
227.17776	4.3
229.19473	4.9
231.17416	7.2
235.16927	9.2
241.19374	5.3
247.16869	9.1
393.31436	5.2
405.31583	25.1
407.33051	8.2
423.32214	25.9
433.31018	9.0
437.61578	4.3
441.33551	9.8
451.31796	18.8
458.59070	4.3
469.32935	14.5
487.34024	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	487.3409
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
50.26569	4.8
55.05497	15.2
67.05482	11.5
69.07043	11.5
69.71479	16.4
69.71897	16.6
76.19635	4.7
79.05486	22.4
80.10300	4.0
81.07056	38.2
83.04986	4.2
83.08615	10.0
91.05454	29.6
93.07031	44.3
95.04955	6.9
95.08592	55.2
97.06494	6.8
98.21444	6.0
99.08060	15.2
105.07007	71.8
107.08582	60.5
109.06498	7.9
109.10141	28.4
110.62599	4.9
117.06998	5.7
119.08566	100.0
121.10143	51.0
123.08069	6.2
123.11687	11.0
125.09632	11.8
129.06975	8.0
131.08556	61.9
133.10107	67.7
135.11662	22.6
143.08554	15.9
145.10106	69.5
147.11662	83.8
149.09555	4.6
149.13246	17.6
157.10147	22.6
159.11667	46.7
159.37804	4.1
161.09531	5.8
161.13211	28.0
163.11211	5.0
163.14830	14.1
169.10095	5.9
170.10910	6.7
171.11641	22.5
173.13231	49.3
175.14786	33.4
177.16382	17.7
183.11745	11.1
185.13277	28.5
187.14798	83.9
189.16365	15.8
191.14323	16.7
197.13239	8.5
199.14813	24.5
201.16359	92.1
203.14331	16.7
203.17929	8.0
205.15851	20.0
213.16331	15.5
215.17937	8.8
217.15839	6.4
219.17427	19.2
221.15189	27.0
227.18088	5.1
229.15814	5.7
231.17415	9.7
267.21133	6.3
346.43158	4.1
363.26276	4.4
387.30371	5.5
393.31696	4.1
399.35345	4.9
405.31430	39.8
406.31500	5.8
411.33041	6.3
423.32434	44.6
424.33017	5.7
433.30905	10.1
441.33569	15.4
451.31851	18.0
469.32880	14.9
486.15918	5.0
487.33826	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3411
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
55.05499	14.5
67.05486	21.0
69.07045	14.1
69.57584	5.6
71.44318	7.4
71.44631	5.6
75.87849	5.6
79.05470	20.8
81.03413	6.6
81.07029	32.9
83.08644	9.4
91.05466	20.4
93.07029	47.9
95.04983	7.2
95.08595	35.8
99.08096	19.1
103.27953	5.3
105.07013	49.4
107.08562	82.2
109.10146	45.2
117.06970	12.2
119.08566	76.9
121.10142	34.6
123.08045	8.9
123.11698	14.9
131.08563	33.6
133.02821	8.1
133.10104	58.8
135.08046	16.4
135.11694	30.1
143.08559	18.2
145.10075	45.3
147.08015	5.8
147.11674	64.8
149.13264	9.1
151.11153	6.7
157.10133	27.1
159.11687	35.9
161.13200	25.5
163.03906	16.7
163.07535	12.8
163.14795	10.8
169.10104	10.6
171.11708	20.6
173.13223	37.0
175.14816	31.3
177.12767	9.9
177.16331	13.6
183.11691	22.6
183.36069	6.9
185.13223	41.8
187.14781	57.4
189.16379	11.4
197.11534	5.6
197.13330	17.7
199.14745	34.0
201.16377	42.7
203.14285	23.9
203.17928	8.8
205.15863	28.0
209.13124	9.1
211.14755	11.0
213.16414	18.4
215.17845	8.2
217.15739	8.6
219.17422	8.3
221.15321	6.7
223.16908	13.7
225.16354	8.0
227.18106	5.9
229.15858	8.4
249.14845	11.3
251.18140	6.1
253.19547	12.9
267.21103	6.5
271.20453	13.8
283.20444	32.3
285.22055	9.1
333.25812	6.4
354.53250	5.7
369.27881	16.3
405.26382	12.8
405.31461	37.6
423.32458	49.5
432.51288	6.0
441.33673	100.0
451.32095	30.6
469.33054	19.5
470.43811	5.8
487.34332	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	487.3414
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
51.90463	1.5
53.03929	2.0
55.01858	2.1
55.05499	11.8
57.07050	4.1
65.03925	2.1
65.43269	1.3
67.05502	16.1
69.03417	4.6
69.07056	11.7
70.61366	4.8
71.04992	2.0
79.05482	18.1
81.03403	3.3
81.07045	31.1
83.04987	3.3
83.08602	7.9
85.02910	2.1
85.06551	2.5
89.03901	1.7
91.05463	25.6
93.07033	39.6
94.92983	1.4
95.04946	8.3
95.08591	42.8
97.06508	6.7
97.10141	3.3
99.08085	13.9
103.05495	1.4
105.07015	67.8
107.04978	2.9
107.08585	51.9
109.02879	1.7
109.06511	7.6
109.10149	25.3
111.08061	6.0
115.05470	1.9
117.03353	1.6
117.07002	8.4
119.08562	93.8
121.06484	5.3
121.10129	34.3
123.08064	5.3
123.11682	6.6
125.09624	4.0
127.03908	1.4
128.06210	1.6
129.06999	4.6
130.07790	1.7
131.08548	63.8
133.02853	1.7
133.06361	2.1
133.10114	56.8
135.04330	2.2
135.08031	6.9
135.11678	19.6
137.05974	2.3
137.09607	3.9
142.07825	2.0
143.08525	18.8
144.09346	2.5
145.10106	51.6
147.07993	2.3
147.11662	90.2
149.09622	6.1
149.13243	12.1
151.11174	3.2
153.09050	1.8
155.08521	3.8
156.09335	2.7
157.10106	19.5
158.10918	3.4
159.10362	2.4
159.11679	45.1
161.09592	9.7
161.13248	17.6
163.03862	12.9
163.07527	3.2
163.11162	4.6
163.14804	16.0
167.10684	2.5
169.10135	5.6
170.10901	5.1
171.11670	15.4
172.12402	3.1
173.09616	2.9
173.13239	47.0
174.13538	1.4
175.11182	4.9
175.14799	31.7
177.05238	1.6
177.12746	3.8
177.16365	7.5
179.14244	2.2
183.11630	7.1
184.12384	1.7
185.13239	25.9
187.14798	70.6
189.12755	4.5
189.16313	12.8
191.14291	26.3
193.15848	7.3
195.11684	2.3
197.13240	6.4
199.14799	21.1
201.12689	3.2
201.16360	100.0
202.16748	2.8
203.12357	2.5
203.14272	28.8
203.17882	8.9
205.15863	18.4
207.17523	2.2
209.13293	2.3
211.14835	6.2
213.16374	13.1
215.14339	2.8
215.17924	7.5
217.15907	8.6
219.17383	25.7
221.15338	46.2
221.18671	2.2
223.14906	2.4
223.16933	5.6
225.16435	2.4
227.17889	2.3
229.15854	4.1
229.19627	2.0
231.17380	3.9
233.15292	2.8
235.16896	6.3
237.16286	1.8
239.17921	3.0
241.19514	3.6
243.17395	3.2
245.15465	2.7
247.16890	4.9
247.20451	1.8
249.14754	8.0
251.17940	2.5
253.19557	2.6
259.17062	1.7
259.20282	1.5
265.17886	4.2
267.21094	2.5
269.22626	2.3
279.21115	1.6
281.22604	2.5
297.21695	1.6
321.20963	1.3
327.23230	1.9
333.25888	1.6
335.23672	2.3
337.72855	1.5
339.26804	1.7
363.26740	1.9
365.28448	3.1
369.27902	3.5
375.30588	1.9
387.30380	5.3
393.31555	5.9
405.31430	27.0
411.32864	10.3
421.31424	2.9
423.32556	33.5
424.32837	1.6
426.68695	1.6
433.30923	4.7
439.32074	4.2
441.33652	19.1
451.32019	14.4
469.15851	1.8
469.33182	10.2
487.34222	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	487.3409
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05491	17.6
57.07051	4.3
67.05480	18.4
69.03399	8.0
69.07050	13.4
69.66390	5.0
69.66793	23.0
71.05000	3.5
77.63323	3.3
79.05479	22.5
81.07043	47.4
83.08609	11.0
91.05459	23.8
93.07030	54.3
95.04988	5.2
95.08591	72.3
97.06520	13.0
99.08077	15.9
99.44368	3.5
105.07009	73.2
107.08567	69.9
109.06507	13.1
109.10132	33.8
111.06736	3.0
111.08090	4.7
117.07021	10.1
119.08553	100.0
121.10136	50.5
123.08057	7.3
123.11707	13.2
125.09616	12.2
129.06917	8.2
131.08548	62.5
133.10100	62.3
135.08099	4.4
135.11679	32.7
137.09608	7.3
142.07664	4.4
143.08487	24.1
145.10103	71.5
147.11664	80.0
149.09648	6.4
149.13229	14.3
155.08524	4.9
156.09366	3.9
157.10086	30.3
159.11690	54.5
161.09586	8.2
161.13248	22.0
163.07527	7.7
163.11156	4.9
163.14850	10.6
169.10124	6.7
170.10889	4.8
171.11674	26.2
173.13214	53.2
175.11208	4.2
175.14784	37.5
177.16380	9.0
179.14217	3.7
183.11693	13.8
185.13239	33.6
187.14789	71.1
187.72818	4.1
189.12775	4.7
189.16367	9.7
191.14268	21.8
193.15869	6.7
195.11668	6.0
197.13222	10.0
199.14786	45.3
201.16344	89.6
203.14313	26.7
203.17970	9.9
205.15906	23.8
207.17610	3.7
209.13342	3.7
211.14832	9.5
212.68243	3.2
213.16325	27.7
215.17952	8.9
217.15958	10.8
219.13742	4.3
219.17329	21.7
221.15340	34.8
223.16840	4.3
225.16360	11.7
227.17967	6.5
229.15784	4.0
229.19536	5.0
231.17381	6.7
233.15266	4.8
239.17975	5.8
245.15323	10.8
247.16998	5.4
249.14851	8.1
251.18069	4.3
253.19490	5.4
267.21042	6.0
281.22571	5.5
351.26831	4.3
387.30313	9.2
405.31488	58.1
409.33755	3.5
411.32675	5.1
423.32709	30.3
433.30847	18.6
441.33746	17.4
451.32040	28.9
469.33005	11.3
487.34262	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	487.3414
Annotation	Sandorinic acid B
Peak:m/z	Relative Intensity
55.05495	16.9
57.07079	5.9
67.05489	18.2
68.01381	4.4
69.03421	8.5
69.07048	14.0
70.96202	13.3
71.04993	4.9
79.05487	20.2
81.03416	8.5
81.07046	40.4
83.04978	7.7
83.08601	15.1
85.02906	8.4
91.05490	31.0
93.07047	44.1
95.04967	6.8
95.08585	49.4
97.06522	6.9
98.21383	6.2
99.08085	31.7
105.07021	42.9
107.04916	5.6
107.08581	100.0
108.08942	5.1
109.06504	9.2
109.10154	36.3
117.07006	6.2
118.30227	5.2
119.08556	79.7
121.10120	46.4
123.08118	6.5
123.11711	14.7
127.03920	6.3
129.07033	5.6
131.08519	44.6
133.10118	54.8
135.04385	9.4
135.08031	14.3
135.11681	24.5
137.13223	6.3
143.08542	17.8
145.10109	61.3
147.11658	65.6
149.13213	10.5
155.08592	8.0
156.09344	6.2
157.10135	27.6
159.11661	50.5
161.13271	24.1
163.03854	24.8
163.07544	21.5
163.11200	10.1
163.14786	12.6
165.12738	6.4
169.10168	11.6
170.10876	9.0
171.11682	28.5
173.13266	34.7
175.14781	15.3
177.12729	8.4
179.14307	8.9
183.11656	25.2
185.13153	29.7
187.14792	56.7
189.16289	10.2
195.11719	8.0
195.13707	10.6
197.13268	13.2
199.14809	34.4
201.16388	32.2
203.14371	9.4
203.17986	9.7
205.15823	31.0
211.14786	9.1
213.16422	12.1
217.15913	10.1
219.17468	11.4
223.16812	9.4
227.17804	6.0
239.17841	6.8
253.19632	7.1
265.19611	6.6
269.19034	6.5
271.20581	12.8
273.22278	6.3
283.20511	44.8
351.26877	10.3
405.31467	36.9
423.32593	65.2
441.33661	56.1
451.32233	24.7
469.33594	11.4
487.33878	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	487.3415
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
50.28687	3.1
53.03918	3.5
54.49287	3.5
55.05497	16.4
57.03446	4.0
57.07046	6.5
57.66948	3.1
62.48840	3.8
67.05499	31.5
67.99363	3.3
69.03408	4.0
69.07050	19.2
70.37271	13.2
71.04965	6.1
79.05472	27.4
80.24554	3.5
81.03382	6.5
81.07045	39.4
83.04996	3.8
83.08598	11.8
85.06512	4.0
91.05457	27.7
93.07035	57.1
95.04958	7.0
95.08595	51.8
97.06516	7.7
97.10163	4.2
99.08090	22.0
105.07008	63.1
107.07910	6.7
107.08576	90.0
109.06523	7.4
109.10154	48.0
111.08050	3.4
117.06979	12.8
119.08566	84.1
121.06497	7.2
121.10130	50.3
123.08038	6.7
123.11685	15.3
129.06958	11.1
129.43423	3.5
130.07758	3.9
131.08549	43.0
133.10106	76.9
135.08011	5.0
135.11664	35.1
137.09686	4.4
137.13300	3.9
142.07753	4.2
143.08565	22.7
145.10107	57.6
147.07983	7.3
147.11674	79.2
149.09627	7.1
149.13231	11.0
151.11140	8.2
153.12761	6.8
155.08488	7.7
156.09274	5.0
157.10129	32.6
159.11682	51.4
161.09625	6.1
161.13272	25.4
163.03851	6.1
163.11162	7.5
163.14784	12.7
164.38068	3.4
165.12733	7.2
169.10120	12.8
170.10895	6.8
171.11658	27.5
173.13229	33.1
175.14774	24.8
177.12697	11.4
177.16354	11.9
179.14319	14.1
181.10048	5.2
183.11667	24.1
185.13239	58.9
187.14813	51.9
189.12747	7.8
189.16380	19.0
191.17781	3.6
195.11790	6.0
195.13803	16.8
197.13280	14.0
199.14793	49.0
201.12715	4.4
201.16386	40.4
203.14294	42.8
203.17932	6.0
205.15820	32.0
209.13214	6.8
211.14749	8.1
213.16283	16.6
215.14297	6.4
217.15863	10.0
219.17383	7.6
221.15292	6.0
223.14798	5.7
223.16891	9.4
225.16399	5.8
227.17882	8.1
229.15770	5.2
231.17358	4.5
235.14893	6.5
236.93022	3.6
237.16341	4.6
241.19518	4.8
243.17381	4.7
247.16864	3.5
249.14732	22.1
251.16238	6.2
253.19495	12.6
255.21043	6.1
257.18988	5.6
259.20593	5.6
265.19586	7.2
267.21143	8.3
271.20541	12.8
273.22058	6.4
283.20532	64.5
285.09982	5.0
285.22089	7.6
301.21564	13.1
333.85782	3.9
335.23450	4.0
351.26688	10.9
369.27753	12.4
370.24811	4.8
387.30417	5.9
404.32562	3.9
405.27051	3.3
405.31577	45.0
406.31677	5.0
423.32574	61.1
424.32773	3.7
433.31024	6.9
439.31955	14.7
441.33615	100.0
442.33636	4.7
451.32098	26.9
469.33282	20.5
487.34750	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3411
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
55.05495	1.7
57.07059	0.6
67.05502	2.1
69.03424	0.4
69.07061	2.8
71.15974	0.9
79.05489	1.9
81.07044	4.7
83.04980	3.2
83.08589	1.2
84.52849	0.3
85.06520	0.6
91.05463	2.1
93.07029	4.3
95.04935	1.1
95.08598	6.7
97.06504	0.9
98.68348	0.3
99.08113	0.5
99.10734	0.4
103.05440	0.6
105.07015	8.1
107.07912	0.6
107.08583	6.8
109.06503	0.8
109.10143	5.4
111.08046	1.1
117.07007	0.8
119.07732	0.6
119.08566	10.1
121.06500	0.8
121.10128	6.1
123.08049	1.0
123.11710	1.8
129.07040	0.4
131.08539	2.5
131.75874	0.4
133.06474	0.4
133.09166	0.6
133.10118	8.9
134.98257	0.4
135.08017	1.9
135.11673	4.0
137.09610	1.1
139.07542	0.4
139.11159	0.5
141.06943	0.4
143.08546	2.2
145.10100	5.7
147.08008	0.8
147.11667	3.4
149.09552	1.6
149.13245	1.8
151.07526	0.4
151.11147	1.1
153.09090	0.8
155.08556	1.6
156.09323	0.4
157.10095	2.6
159.08051	0.7
159.11671	3.6
161.09604	2.7
161.13254	2.4
163.11159	0.6
163.14787	1.9
169.10085	1.2
171.11649	2.6
173.09631	0.5
173.13223	5.1
175.11206	1.2
175.14796	7.7
177.12794	0.7
177.16385	1.4
182.10867	0.4
183.11667	1.6
185.13231	1.9
187.11180	1.1
187.14789	6.2
189.12721	1.6
189.16360	14.7
190.16713	0.4
191.14349	0.9
191.17966	0.5
193.15805	0.4
195.13777	0.5
197.13225	2.8
199.14804	3.7
201.12831	0.4
201.16376	1.2
203.14319	0.6
205.12234	0.3
205.15877	2.2
207.17429	1.0
209.13220	0.5
211.14812	1.2
213.16367	1.4
215.14299	3.7
215.17912	0.7
217.15851	6.3
217.17789	0.4
223.16847	0.7
225.16316	0.6
227.17934	1.8
228.18585	0.4
229.15883	1.1
229.19392	0.4
231.17459	0.9
233.15381	2.2
235.16920	2.6
239.17972	0.7
241.19513	0.8
243.21133	0.7
251.16353	1.3
253.19434	2.4
257.19186	0.5
263.16165	0.4
267.21246	0.5
271.20526	4.3
273.21881	0.4
285.22226	0.7
289.64594	0.4
317.21286	1.1
357.24091	0.5
387.30576	0.7
405.31516	3.5
423.32556	3.8
433.30716	0.9
439.32056	1.2
441.33539	6.6
442.34058	0.4
451.31982	3.9
469.23129	0.9
469.33008	3.5
487.34140	100.0
488.34564	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3412
Annotation	Wilforic acid E
Peak:m/z	Relative Intensity
55.05497	3.8
57.07081	1.0
67.05489	3.7
69.03414	1.3
69.07048	3.8
69.64957	5.7
71.68099	0.8
78.75418	0.9
78.81345	0.8
79.05486	3.6
81.07040	9.6
83.04990	2.1
83.08596	2.4
89.68621	0.8
91.05463	4.4
93.07029	10.0
95.04968	1.6
95.08591	13.0
97.06479	1.2
101.60361	1.0
105.07015	13.3
107.08585	14.2
109.06510	2.6
109.10152	10.2
111.08088	2.1
117.07003	1.9
117.15002	0.8
119.08565	16.7
121.06537	1.1
121.10132	15.2
123.02019	0.9
123.08070	2.0
123.11682	2.4
129.07007	1.9
131.08556	7.9
133.10110	16.3
135.08066	1.9
135.11703	5.7
137.13210	1.3
143.08540	6.9
144.09346	0.9
145.10097	12.5
147.08051	1.7
147.11676	8.6
149.09624	3.4
149.13225	5.1
151.11136	1.2
155.08589	2.0
156.09256	1.3
157.10109	6.8
159.08095	1.0
159.11705	7.6
161.09540	4.8
161.13245	6.0
163.11185	2.1
163.14803	5.2
169.10129	2.1
171.11696	3.3
172.12381	1.1
173.09531	1.1
173.13200	4.1
175.11203	1.5
175.14799	18.6
175.16183	1.4
177.12669	1.1
177.16368	5.4
183.11720	2.7
185.13240	25.9
187.14807	13.6
189.16342	7.7
191.14336	1.1
191.17836	1.6
193.15912	2.2
197.13254	3.2
199.14810	12.0
201.12694	1.1
201.16338	7.1
203.12358	1.4
203.14282	29.6
203.17929	1.4
205.15823	11.3
209.13359	1.0
211.14796	2.6
213.16351	3.0
215.14265	2.7
217.15880	4.4
219.17482	1.3
221.15309	1.7
223.16869	9.6
225.16307	1.3
227.17914	2.1
229.19530	1.1
231.13832	2.3
233.15152	1.9
235.16948	1.3
237.16429	1.1
239.17978	1.0
245.15385	1.9
249.14812	15.8
253.19604	2.7
267.21152	2.1
271.20618	1.6
307.22479	1.4
377.28735	1.1
387.30182	1.1
405.26260	4.5
405.31555	7.0
423.32614	9.0
433.31091	1.8
441.33606	55.1
442.34235	1.5
451.31915	6.2
469.32993	5.5
487.34155	100.0
488.34372	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	488.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70220	0.2
57.03420	0.2
60.08160	0.2
65.03913	0.3
69.03417	0.6
69.07048	0.6
70.06585	0.3
70.95339	0.3
70.95675	0.2
72.08152	0.3
73.87872	0.1
76.97385	0.2
81.03409	0.5
81.47510	0.2
83.08318	0.2
84.08163	0.2
85.02879	0.8
86.09689	0.5
95.04952	0.4
97.02871	0.6
100.43550	0.2
105.03396	0.3
109.02870	0.4
111.04456	0.2
118.41472	0.2
121.02847	7.3
121.03761	0.4
121.06474	1.2
127.03860	0.2
129.05455	0.2
129.06750	0.2
129.12718	0.3
131.04903	0.4
132.04375	0.4
134.05975	0.3
136.07480	0.2
138.09091	0.3
139.03934	0.3
147.04338	0.3
150.05444	0.9
160.03964	0.8
168.29727	0.2
178.04962	75.7
179.05347	1.1
179.06749	0.2
180.05435	0.2
203.86264	0.2
204.06383	0.2
206.04449	100.0
207.04770	1.1
255.55244	0.3
265.07016	0.6
283.08185	0.2
368.09680	6.2
405.51648	0.2
488.11768	5.2
489.12234	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03930	1.7
55.01856	1.1
55.05512	0.7
57.02615	0.3
57.03432	0.6
63.02358	0.8
65.03931	0.8
67.05508	2.3
69.03431	2.8
69.07038	0.9
70.06586	0.9
71.01346	0.8
71.04988	3.4
71.69933	0.4
71.70393	0.5
77.03912	0.9
79.05486	2.9
81.03408	3.1
81.07027	1.3
83.04966	1.7
84.08183	0.4
84.70948	0.4
85.02905	2.3
86.09695	1.1
89.03910	8.7
91.05476	1.9
93.03406	0.4
93.07030	1.0
94.04169	0.6
95.01286	0.4
95.04967	3.4
95.08581	1.1
97.02884	5.8
99.04453	3.5
103.05444	0.5
105.03381	1.8
105.04468	0.5
105.07011	1.0
107.04941	4.4
107.08588	0.6
109.02855	1.2
109.06502	1.5
109.10133	0.6
111.04438	2.2
115.03908	1.3
115.05442	1.1
116.06257	0.4
117.03370	9.7
117.06977	0.5
119.04957	1.0
119.08537	1.0
121.02867	0.6
121.06487	0.8
121.10173	0.5
123.04420	16.6
123.08016	0.7
125.05964	0.8
127.03900	2.9
128.06209	0.5
129.07021	0.9
131.04886	0.6
133.02840	3.4
133.06445	1.3
133.10118	0.5
135.04407	20.0
135.07990	0.5
137.05963	4.5
137.09561	0.6
139.03882	3.4
140.04622	0.9
141.05486	1.3
141.06998	0.4
145.01668	0.8
145.02835	13.3
145.03885	0.5
145.06474	1.3
145.10150	0.6
147.04405	1.7
147.08095	0.5
147.11674	0.4
149.05957	0.9
151.03926	4.4
151.05029	0.9
151.07559	0.5
153.05455	45.7
155.04880	0.4
159.08014	1.0
159.11682	0.4
161.05936	1.3
161.09627	0.6
162.05498	1.2
163.03891	100.0
164.04256	1.5
165.05507	3.2
167.03407	3.1
167.06998	1.1
169.04977	2.2
169.06288	0.5
171.08080	0.8
173.06017	1.1
175.07565	0.7
177.05472	3.2
178.02504	0.7
179.03406	1.0
179.06932	0.6
181.04947	4.5
182.05800	0.5
183.06563	1.1
184.05141	0.7
185.05959	1.3
187.07567	1.6
189.05499	1.3
189.09064	0.5
191.06999	1.0
193.04961	2.5
195.06464	1.7
199.07544	1.7
203.06937	1.1
204.04201	0.5
205.08646	1.3
207.06494	1.1
211.06030	0.7
213.05438	0.9
215.06961	1.1
217.04898	1.2
217.08545	1.1
219.06488	2.6
223.06029	0.6
227.06970	1.8
231.06406	2.3
232.07056	0.5
233.08113	2.8
243.06758	0.5
245.08090	2.4
249.07582	1.4
261.07593	5.2
263.09241	0.5
273.07593	3.1
281.07986	0.6
291.08585	5.4
309.09793	1.2
327.21442	0.4
422.89017	0.4
489.13449	2.1
489.21484	0.5
489.26294	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84666	1.6
53.03942	1.7
54.26666	1.4
55.01859	1.9
55.05503	2.2
56.47475	1.5
56.60696	1.7
57.03409	2.5
63.98211	1.4
65.03932	2.0
67.05485	5.4
69.03423	8.1
69.07059	5.0
70.06567	1.9
71.04993	2.8
71.70426	2.7
79.05477	11.6
81.03405	9.1
81.07041	12.7
82.90163	1.5
83.04969	2.3
83.08614	2.5
85.02891	8.6
85.06541	1.9
86.09695	3.2
87.04441	1.8
91.05462	15.3
93.07035	29.4
95.04962	5.9
95.08588	8.5
97.02883	6.7
97.06518	2.9
99.04449	3.7
99.08116	1.8
103.05471	4.8
105.07015	29.1
106.07871	1.9
107.04963	1.7
107.08582	7.3
109.02863	5.3
109.06517	5.2
109.10144	8.2
111.08046	2.0
115.05502	1.7
116.06280	2.0
117.03358	1.6
119.04957	2.2
119.08565	13.3
121.06484	6.9
121.10133	100.0
123.04391	10.3
123.08034	9.9
123.11652	3.5
127.03925	5.6
128.06114	1.8
129.07091	2.5
131.08537	4.9
133.02821	9.3
133.10136	4.1
135.04390	6.0
135.07999	1.8
135.11700	3.0
137.05986	9.5
137.09602	4.1
139.11130	2.9
143.08656	1.8
145.02827	3.6
145.10130	4.4
147.04356	9.3
148.04823	3.0
149.09602	83.4
151.03911	4.7
153.05392	3.4
155.08328	1.7
157.10149	1.7
159.11723	1.7
161.05901	1.8
163.03891	20.0
164.04266	2.4
165.05504	2.3
165.09026	1.5
167.07016	2.4
167.10704	4.2
175.07558	3.5
177.05473	4.7
177.12851	1.8
179.03377	52.5
181.04892	1.9
187.07559	2.1
191.03371	9.4
289.08786	1.6
291.26797	2.1
293.13797	9.6
299.12744	4.3
309.27731	2.2
311.14734	5.2
316.26398	1.8
489.24231	1.5
489.32004	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	489.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
53.77454	0.5
54.93387	0.6
55.01862	1.7
55.05500	2.2
57.03410	1.9
57.89748	0.7
63.02369	0.8
65.03945	1.3
65.14698	0.6
67.05492	4.0
69.03416	2.5
69.07048	2.7
71.04973	1.3
78.04703	0.8
79.05478	4.4
81.03407	8.4
81.07045	7.2
83.04961	1.2
83.08619	1.4
85.02901	8.2
85.06502	1.1
89.03909	9.0
91.05473	12.9
92.05749	0.5
93.07035	8.3
95.01302	0.6
95.04958	3.7
95.08607	6.0
97.02877	6.2
97.06536	1.3
98.20741	1.6
99.04433	1.0
99.08080	2.6
103.05467	2.3
105.07019	6.2
106.07394	0.7
107.04919	1.3
107.08582	6.2
108.08907	0.7
109.02861	1.4
109.06516	1.1
109.10133	4.0
111.04417	1.7
111.08052	0.7
115.05407	1.0
117.03364	23.7
117.06984	1.7
119.04927	6.2
119.08582	5.9
120.08847	0.7
121.02851	1.9
121.06489	7.5
121.10095	3.6
122.03638	1.0
123.04405	1.6
123.08064	1.2
123.11701	1.5
124.46627	0.6
125.09545	0.7
127.03900	1.8
128.06212	1.6
129.06964	1.8
131.04936	3.8
131.08549	2.4
132.08865	1.0
133.06461	1.1
133.10120	3.9
134.03630	1.4
135.04405	4.4
135.08040	1.5
135.11655	2.0
136.05173	1.4
137.05959	11.7
137.09605	1.4
139.11139	0.9
141.07021	0.8
143.04926	0.9
143.08528	2.2
145.02832	56.9
145.06461	1.5
145.10083	3.7
146.10361	1.1
147.04413	4.2
147.11667	2.5
149.05971	11.1
149.09581	1.2
149.13225	1.1
151.03896	1.9
151.07524	19.9
153.05440	2.8
153.06905	1.4
155.08525	0.7
156.09334	0.7
157.06477	1.2
157.10126	1.6
159.08081	0.7
159.11649	2.7
160.05174	1.1
161.05957	3.8
161.09566	1.0
161.13231	1.3
163.03883	8.1
163.07535	5.0
163.11209	0.8
163.14850	0.7
164.04590	2.3
165.05466	1.2
165.09059	1.9
165.12671	0.7
167.07054	1.1
169.06461	1.5
169.08658	0.8
169.10106	0.9
171.08023	1.9
171.11690	1.8
173.05940	0.8
173.13232	2.4
174.06677	0.8
175.07523	4.0
175.11145	0.7
175.14883	1.2
177.05450	100.0
177.16342	0.9
178.05891	1.2
179.07019	28.4
181.06425	0.8
181.06819	0.8
181.08600	10.2
183.11662	1.1
185.05843	0.9
185.13254	1.2
186.05453	1.5
187.07500	1.7
187.14775	2.7
188.08208	0.8
188.15207	0.8
189.09099	3.3
189.12704	0.7
189.16338	0.8
191.07031	1.5
191.14331	1.3
193.08611	2.3
197.05974	1.2
199.07541	2.5
199.14682	1.4
200.15086	0.8
201.16353	2.4
202.16679	0.7
203.06993	1.6
203.10585	1.0
203.14282	0.7
205.08562	1.4
205.15865	1.2
207.13875	1.0
213.09061	1.5
217.08574	1.7
219.10136	0.8
221.07982	1.0
227.07008	0.8
231.10109	3.9
235.09677	1.4
241.08446	0.7
247.09668	2.9
258.86179	0.6
259.09656	7.6
261.07684	0.7
277.10666	5.6
279.08591	1.0
295.11813	1.1
321.04782	0.8
335.12857	1.4
363.06567	0.6
387.12863	0.7
407.32742	1.1
443.31064	0.7
471.16840	0.9
488.34830	0.9
489.17639	2.5
489.23981	0.8
489.31882	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32275	0.8
53.03938	2.2
55.01863	1.5
55.05497	2.1
55.18586	1.2
57.03423	4.2
57.07058	1.6
59.04989	2.0
61.02905	1.9
67.05500	5.0
68.99788	1.6
69.03046	1.3
69.03420	14.7
69.07068	1.0
70.06573	3.4
70.96239	3.0
71.01350	1.0
71.04980	3.5
72.08144	1.0
73.02893	1.5
79.05471	2.3
81.03411	8.6
81.07046	5.7
83.04954	7.2
83.08611	1.4
84.04517	1.2
84.08113	1.1
85.02896	17.4
85.06522	3.3
86.09688	3.6
87.00798	4.5
87.04456	11.0
91.05467	4.1
93.07020	4.8
95.04969	4.3
95.08607	3.7
97.02882	5.5
97.06516	2.7
99.04440	5.1
103.03970	1.2
105.01865	2.3
105.07005	3.1
107.04940	1.8
107.08572	3.8
109.02859	8.0
109.06506	8.0
109.10131	5.7
111.04442	1.5
111.08089	7.0
113.02349	1.8
115.03881	1.5
119.08581	3.2
121.06489	1.7
121.10140	4.6
123.04427	5.3
123.08022	8.5
125.05965	1.9
125.09602	2.8
127.03884	10.9
127.07581	1.5
131.07010	6.4
133.02808	1.6
133.10091	2.6
135.04413	2.1
135.08002	1.7
135.11678	1.6
137.05966	4.6
137.09598	16.4
139.07521	3.5
139.11154	3.1
141.05435	7.4
141.21942	0.8
143.08534	1.3
145.04926	2.7
145.10092	1.0
147.04424	2.1
147.08022	2.8
149.05949	2.5
149.09595	2.0
151.11142	2.8
153.05502	1.4
153.09091	1.3
155.10684	1.2
157.04974	6.8
157.08594	7.5
159.02907	2.3
159.11690	1.2
161.09616	1.7
163.03864	5.4
163.07571	1.3
163.11147	2.6
165.09108	10.5
167.07014	3.4
167.10669	3.2
177.05394	1.1
177.12726	2.7
179.10641	7.4
183.10162	1.3
187.07620	1.0
197.11700	8.5
205.12178	3.1
220.45013	0.9
223.13271	5.0
231.05043	1.3
241.14320	100.0
242.14571	1.9
310.84833	0.9
489.17474	4.8
489.27518	10.4
490.17538	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
53.09610	1.3
55.05499	3.4
57.89264	1.4
59.04982	3.3
67.05494	17.8
69.03408	4.6
69.07049	2.2
70.28682	7.2
70.66888	1.5
71.04974	3.9
79.05464	2.8
81.03393	5.3
81.07045	9.2
83.04971	3.0
85.02891	7.7
91.05473	4.5
93.07034	3.4
95.04970	3.4
95.08578	8.9
97.02865	4.4
99.04456	8.7
105.07018	3.6
107.04945	2.8
107.08570	3.2
109.02860	6.2
109.06482	4.6
109.10142	88.0
110.10419	1.8
117.06939	1.6
119.08545	3.3
121.10125	2.6
123.08060	2.7
127.03886	6.7
131.08580	1.9
133.02840	2.0
133.10091	2.2
137.05991	10.7
137.09598	63.2
145.02713	2.3
145.06467	1.5
147.04395	6.0
149.13292	2.0
163.03886	5.8
165.09035	3.5
167.07031	4.0
177.05469	2.8
181.04884	2.2
183.10150	12.1
187.07582	1.8
216.77327	1.8
223.13187	2.5
241.14322	100.0
242.14716	1.7
250.55894	1.6
252.77856	1.6
489.26788	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	489.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64058	1.1
53.03925	1.8
55.01862	1.3
55.05502	11.0
57.01292	1.2
57.03206	1.5
57.03431	16.3
57.07045	3.3
65.03933	2.0
66.91047	0.9
67.05495	52.1
69.07065	12.3
69.53446	7.8
69.53867	2.8
71.04975	1.7
71.08613	1.1
79.05023	2.2
79.05482	39.5
81.03397	1.3
81.07042	59.3
83.04963	2.3
83.08606	5.7
85.27636	1.1
86.65925	1.1
86.95624	0.9
87.18428	1.0
90.64685	1.0
91.05464	25.1
93.07028	44.8
95.04935	3.5
95.08592	43.6
97.06511	3.5
97.10157	2.1
98.98452	73.1
99.08047	1.5
104.08395	1.2
105.07013	18.4
107.04929	1.1
107.08577	29.6
109.06480	2.3
109.10145	22.7
111.08051	1.7
113.09634	1.2
116.99471	1.5
117.06979	9.2
119.08567	18.5
119.30366	1.3
121.10120	24.9
123.08086	1.7
123.11678	8.3
129.05408	1.3
129.06960	1.5
131.08548	14.6
133.10112	13.0
135.08012	1.2
135.11676	19.1
136.99973	6.6
137.09645	1.4
137.13242	3.3
141.39561	1.2
143.08492	1.3
145.10104	12.9
147.11655	10.5
149.09554	1.8
149.13228	14.1
151.11226	1.1
153.12749	1.8
155.01012	63.8
157.10205	1.4
159.11646	7.9
161.13229	9.9
163.11151	2.9
163.14772	7.6
165.12766	1.2
173.02153	1.6
173.13234	10.3
175.14783	5.3
177.12624	1.0
177.16362	2.8
187.14781	5.5
193.02592	1.7
197.92345	1.1
201.16321	2.9
205.15808	1.4
211.03627	5.0
213.14696	1.2
219.17429	1.7
229.04677	6.9
233.22630	1.8
243.21011	18.2
261.22110	34.3
279.22818	1.6
285.22476	1.2
291.23270	1.5
299.23630	2.2
317.24759	16.3
335.25757	100.0
336.26208	3.5
415.22256	4.5
443.35040	1.9
471.25089	11.6
489.35852	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
53.05206	1.5
54.26723	1.8
55.01851	2.8
55.05501	16.3
57.03434	14.2
57.07060	4.0
65.03924	2.6
67.05496	65.7
69.07059	17.7
69.40956	18.8
71.04976	2.4
71.08627	1.7
75.04478	2.0
79.05481	45.9
81.03416	2.1
81.07045	75.4
83.04966	2.2
83.08604	9.5
85.06526	4.0
91.05466	27.4
93.07030	60.0
95.04969	6.6
95.08590	64.4
97.06513	4.6
97.10168	5.1
98.98453	73.6
105.07018	31.6
107.04992	2.0
107.08569	44.3
109.06501	4.5
109.10136	28.8
111.08075	3.9
111.11722	1.9
113.09632	2.1
117.07002	12.2
118.35350	1.6
119.08566	26.5
121.06487	1.8
121.10133	32.4
123.08051	3.3
123.11672	9.7
125.09606	3.3
129.07059	2.4
131.08543	19.7
132.31555	1.6
133.10106	21.7
135.08017	3.6
135.11687	22.0
136.99950	3.7
137.09586	1.9
137.13258	4.1
143.08539	3.1
145.10104	22.5
147.11650	17.3
149.09541	2.7
149.13239	17.3
155.01015	76.7
155.02295	4.0
155.08493	1.9
157.10083	4.9
159.11670	14.3
161.13229	12.9
163.11183	3.4
163.14825	10.3
165.30380	1.6
169.10118	1.9
171.11667	3.3
173.11801	3.5
173.13251	12.1
175.14758	7.8
177.12886	2.3
177.16396	5.5
179.14296	3.0
183.11673	1.8
185.13286	2.9
187.14793	10.6
189.16335	2.8
191.14270	1.7
199.14801	3.3
201.16302	7.8
203.17885	2.8
205.15875	7.3
211.03621	4.1
219.17447	2.1
223.17003	1.8
229.04755	7.8
233.22624	2.3
243.21056	20.1
247.16963	2.2
255.21077	2.8
261.22089	44.0
262.22687	2.0
277.21713	1.8
299.23703	1.7
317.24591	15.0
335.25754	100.0
336.26111	4.6
371.21588	1.6
397.30624	3.3
401.59869	1.9
415.22244	5.7
425.34204	2.0
443.35175	30.2
471.25104	15.1
471.35114	2.9
489.28543	1.5
489.35867	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	489.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.0
55.01865	5.4
55.05505	23.4
57.03426	20.3
57.07061	5.7
65.03922	4.3
67.05495	82.4
69.03437	1.6
69.07053	17.6
70.31280	5.8
71.04985	4.2
71.08620	1.4
75.04462	1.4
77.03900	1.8
79.05479	75.4
81.03400	9.1
81.07043	85.9
83.04969	8.4
83.08615	13.0
83.45039	1.3
85.06520	1.8
85.10153	1.5
87.04452	1.5
91.05462	54.2
93.07032	82.9
94.07347	1.7
95.04956	15.6
95.08591	64.4
97.06511	5.5
97.10132	4.3
98.98452	100.0
99.08057	2.6
105.07013	38.0
107.04929	7.6
107.08572	47.0
109.06505	6.5
109.10140	24.7
111.04418	2.3
111.08073	3.4
116.99497	2.9
117.07006	17.5
119.08566	25.4
121.10127	31.1
123.08054	7.9
123.11692	8.7
125.05904	1.6
125.09548	1.8
128.06160	2.1
129.06949	3.1
131.08554	24.6
133.10112	19.8
135.08037	4.8
135.11668	21.8
136.99986	6.1
137.09602	2.0
137.13222	5.0
139.11191	1.4
143.08527	4.8
145.10107	23.7
147.11676	22.3
149.09567	9.7
149.13213	11.3
151.11140	1.8
151.14842	1.7
153.12727	2.6
155.01016	93.1
155.08647	2.3
157.10126	3.0
159.11668	13.9
161.13231	14.2
163.11147	10.9
163.14798	10.0
171.11659	8.8
173.02142	2.7
173.09578	2.5
173.13203	12.0
175.14778	5.5
177.16406	5.7
181.12222	2.8
187.14825	6.4
189.12714	3.6
189.16333	2.6
191.10641	1.7
191.14247	1.6
193.60260	1.4
201.16357	4.1
203.14330	1.9
203.17955	1.8
205.15868	4.5
207.13768	7.6
209.11676	2.2
211.03665	5.8
215.18008	2.0
219.21219	1.6
227.12740	2.7
229.04697	10.5
232.35336	1.5
233.22598	4.0
243.21048	35.0
261.22119	53.7
262.22382	1.5
277.21597	2.3
287.26804	1.7
299.23630	2.8
317.24670	17.1
335.25742	96.6
336.26193	2.9
376.64688	1.4
415.22079	2.2
418.67719	1.6
437.49136	1.4
471.19000	2.2
471.25244	11.1
489.28339	19.0
489.35132	2.2
489.61551	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.9
53.03939	14.3
53.36756	1.4
55.01873	14.4
55.05501	37.5
57.03416	5.7
60.80056	1.3
64.24798	1.4
65.03919	4.8
67.05497	69.1
69.03410	1.9
69.07053	15.3
71.01355	1.8
71.04977	10.7
73.06543	1.8
79.05481	100.0
81.03406	26.7
81.07043	64.0
81.07446	0.9
81.07536	1.7
83.01315	9.3
83.04504	2.3
83.04968	29.0
83.08607	17.5
84.76849	1.5
85.02888	3.3
85.06524	2.5
87.51167	1.3
91.05465	83.6
93.07029	84.1
95.04951	30.7
95.08586	41.6
97.02872	3.6
97.06521	11.3
97.10152	4.7
98.20752	4.1
99.04453	2.7
99.08057	2.0
100.66172	1.6
103.05482	2.8
105.04504	2.2
105.07017	55.9
107.04938	20.7
107.07908	2.4
107.08583	33.3
109.06496	13.3
109.10131	7.0
111.04407	3.8
111.08109	2.8
111.76031	1.6
115.05444	3.2
117.06995	19.8
119.08566	38.3
121.06467	6.7
121.10139	13.8
122.10849	1.5
123.08062	16.5
125.09605	3.6
127.01239	1.3
128.06203	6.0
129.07004	20.8
129.07874	2.7
130.07787	2.4
131.08559	9.3
133.10100	13.2
135.07985	2.0
135.11674	15.5
137.09590	2.3
139.07527	2.3
141.06966	1.8
143.08527	12.0
145.06416	1.7
145.10101	28.2
147.08063	4.3
147.11658	33.6
147.12715	2.9
148.73352	1.7
149.09557	3.1
153.12729	4.8
155.08475	2.4
161.09586	5.1
161.13222	13.7
163.11165	29.5
171.11670	31.9
173.09567	4.8
181.12251	4.6
185.13208	1.7
189.12712	15.1
191.10651	3.6
197.24710	1.5
205.15881	3.4
207.13780	31.7
207.15652	2.9
209.11693	8.0
225.14868	3.2
227.12746	5.7
265.14288	3.3
281.17465	6.0
323.72836	1.7
443.34991	2.8
446.04834	1.6
446.61096	1.8
471.27335	6.2
489.28360	77.9
490.29095	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	489.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.7
53.03942	9.3
55.01866	10.9
55.05500	33.7
57.03412	6.2
57.07058	2.2
59.04975	2.0
59.42406	1.4
65.03915	5.4
67.05493	73.7
69.03411	3.6
69.07059	18.1
69.65364	13.3
71.04970	10.0
77.03894	1.7
79.05479	100.0
81.03411	19.6
81.07042	64.7
81.07449	1.0
81.07532	1.7
83.01321	5.9
83.04522	1.7
83.04973	22.2
83.08607	15.5
85.02883	4.3
85.06516	4.3
91.05461	84.1
91.94884	1.6
93.07026	87.3
95.04945	34.0
95.08011	2.0
95.08590	38.0
97.02866	2.9
97.06526	10.9
97.10125	5.3
99.04411	2.3
99.08080	1.5
103.05463	2.4
105.07013	59.6
107.04926	19.7
107.08578	37.3
109.02856	2.0
109.06509	12.2
109.10136	13.0
111.04424	6.5
111.08070	4.6
115.05407	3.9
117.07001	21.5
119.07735	2.9
119.08559	42.5
121.06467	7.8
121.10123	21.4
123.08036	14.5
125.05968	3.4
125.09629	4.1
128.06218	3.1
129.06972	18.5
130.07698	2.0
131.04932	1.7
131.08540	13.5
133.06490	2.4
133.10112	20.3
135.08061	5.0
135.11662	21.8
137.09564	3.3
139.07536	2.2
139.11143	2.9
141.06934	1.6
142.07889	1.9
143.08514	10.3
145.06444	2.7
145.10091	32.3
147.08009	5.5
147.11661	44.4
149.09622	3.1
149.13226	2.7
153.12688	5.2
155.08466	3.1
156.09308	1.9
157.10089	4.1
159.11656	7.9
161.09543	4.8
161.13217	16.6
163.11159	25.7
163.14760	4.5
169.10101	2.1
171.11655	35.1
173.09581	5.5
173.13269	4.4
175.14853	3.5
177.12721	5.2
181.12239	5.5
183.11636	3.7
185.13226	5.0
187.14771	3.1
189.12708	12.9
189.16315	5.5
191.10617	4.4
195.11598	1.8
195.13669	2.6
199.14847	1.8
201.16444	3.2
203.14233	1.9
203.17957	2.1
205.15874	4.1
207.11807	2.1
207.13762	29.9
209.11690	9.0
225.14708	3.6
227.12775	6.9
227.17761	1.6
255.21112	2.5
265.14389	2.5
274.77194	1.7
281.17407	2.9
283.15222	3.3
283.20404	1.9
289.21204	2.0
293.40744	1.8
301.21423	1.6
407.32803	8.2
425.33936	2.6
428.31818	1.7
435.32355	5.8
443.35577	1.7
453.33435	7.8
471.27222	5.8
471.33826	2.1
489.28317	55.8
489.34769	2.3
490.28455	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	489.284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14385	1.3
53.03939	9.2
55.01864	12.0
55.05502	34.0
57.03423	7.1
57.07058	3.1
59.04964	2.4
65.03909	5.1
67.03854	1.6
67.05496	71.8
69.03419	3.2
69.07056	17.3
70.91547	3.8
71.04993	11.4
73.06548	1.6
74.24761	1.5
79.05482	100.0
81.03407	24.3
81.07043	73.4
81.97965	1.4
83.01314	6.7
83.04962	21.9
83.08611	16.2
85.02864	4.6
85.06512	4.0
91.05466	72.7
93.07029	86.8
95.04956	29.4
95.08003	2.5
95.08591	45.4
97.02857	3.5
97.06510	10.6
97.10139	5.9
97.29921	1.4
98.98443	16.9
99.03397	1.6
99.37514	1.4
103.05412	2.2
105.04517	2.1
105.07012	55.7
107.04957	16.8
107.08573	37.8
109.06528	10.4
109.10146	14.8
111.04432	3.6
111.08067	3.6
112.99969	1.8
115.05468	2.7
117.06998	21.0
119.07748	2.0
119.08567	39.4
121.06469	5.5
121.10126	19.5
123.08044	14.2
123.11682	3.3
125.09579	3.9
128.06221	3.3
129.06975	16.5
130.07713	3.2
131.08542	14.0
133.06392	1.4
133.10095	16.6
135.08058	3.6
135.11682	16.2
136.99907	1.5
137.09610	2.2
139.07457	2.3
141.09198	1.4
143.08578	10.2
145.06409	2.0
145.10097	24.8
147.08003	5.0
147.10562	2.5
147.11661	32.4
149.09622	1.8
149.13251	3.7
153.12724	4.0
155.00992	14.2
155.08493	2.9
156.09338	2.3
157.10089	2.8
159.11623	4.6
161.09579	4.9
161.13206	13.1
163.11156	27.1
163.14749	2.4
164.30099	1.5
167.10606	1.4
169.10080	1.5
171.07988	1.6
171.11667	26.7
173.09581	3.9
173.13223	4.0
175.14848	2.7
181.12138	4.2
187.14790	3.4
189.12740	9.3
191.10645	3.4
193.15793	2.3
201.16365	1.7
207.13791	24.0
209.11694	4.9
225.14799	3.4
227.12740	7.6
229.04630	2.4
243.21092	4.0
261.22101	7.8
265.14322	2.4
281.17493	2.6
317.24704	3.2
335.25925	15.5
404.62939	1.5
443.31235	3.0
471.26202	5.2
471.33096	1.5
489.28275	54.1
489.34308	3.0
490.28268	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	489.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	14.4
58.40063	6.9
60.08159	10.3
67.05493	33.5
69.07066	10.6
69.51438	55.6
69.51852	12.4
72.21700	6.9
73.91004	6.7
76.12852	6.4
79.05492	28.3
81.07057	39.9
82.59377	7.6
86.09691	37.2
91.05473	30.1
93.07063	35.1
95.08600	28.9
97.10159	9.8
99.68481	7.2
105.07045	29.8
107.08563	37.9
109.06502	8.2
109.10162	19.4
117.06989	8.6
119.08596	37.4
121.10139	33.4
124.99996	25.9
131.08591	16.3
133.10132	22.8
135.08070	9.4
135.11693	16.4
145.10106	14.7
147.11684	21.2
149.13228	14.9
149.59843	7.8
159.11662	15.5
161.13289	11.2
163.14737	18.1
177.16429	11.1
181.65582	7.8
184.07315	100.0
185.13223	11.4
187.14809	19.0
189.12894	7.9
189.16478	11.9
201.16429	18.4
205.15813	41.5
229.19424	7.8
303.16364	7.3
414.60342	7.3
425.34039	25.1
443.35333	60.3
453.46823	7.9
471.24380	9.5
489.36139	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	489.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00250	4.8
53.03929	14.6
55.01858	9.6
55.05503	35.8
59.04976	4.7
62.54205	5.0
65.03925	6.5
67.05495	67.0
68.05830	4.8
69.07047	14.6
69.37955	52.2
69.38357	5.7
71.04977	5.7
71.46976	4.4
79.05489	100.0
80.05808	5.6
81.03393	20.2
81.07044	52.4
82.07390	5.5
83.01311	5.8
83.04961	23.3
83.08605	17.3
85.02893	4.6
85.06500	5.2
91.05473	72.2
93.07030	92.2
94.07374	5.6
95.04945	25.7
95.08582	53.5
99.08105	6.8
105.07016	71.3
107.04933	16.5
107.08577	52.2
109.06496	9.5
109.10147	14.5
117.06995	16.7
119.08569	73.9
121.06446	8.3
121.10112	30.5
123.08025	17.8
129.06987	9.5
131.08594	29.7
133.10123	26.3
135.08057	5.4
135.11688	33.4
137.09587	5.4
143.08537	11.6
144.09375	5.8
145.10085	43.4
147.11665	69.5
148.11919	5.9
159.11630	23.0
161.13220	15.1
163.11150	37.2
171.11650	23.4
173.13202	11.0
175.14828	9.2
177.16353	15.8
180.74915	4.9
187.14801	37.2
189.12708	8.2
189.16367	16.6
195.13649	6.2
201.16356	58.5
205.15865	48.3
207.13780	29.9
207.17427	9.9
209.11784	7.6
213.16365	7.5
219.17470	15.0
261.22003	4.5
353.28259	6.5
407.33151	25.0
425.33994	13.3
453.33698	6.7
489.28311	54.8
490.28860	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	489.3573
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
51.76465	2.3
55.05502	3.1
55.99668	2.1
57.06534	1.9
60.08154	7.0
67.05489	7.6
69.07069	4.7
71.07355	2.9
79.05482	10.9
80.16474	2.3
81.07039	9.4
83.04966	2.4
83.08591	2.5
86.09695	26.8
88.71812	2.0
91.05470	6.2
93.07027	8.8
93.14346	2.2
95.04960	3.7
95.08592	9.2
98.98437	2.7
104.10732	2.6
105.07029	11.5
107.08605	10.2
109.10168	6.4
119.08549	9.3
121.10124	6.4
124.99989	24.8
131.08528	4.7
133.10127	3.2
133.78694	2.1
135.11690	5.9
145.10152	4.6
147.11665	5.6
149.13361	2.8
159.11711	4.6
161.13300	3.0
173.13245	4.0
173.16777	2.1
177.16454	2.2
184.05688	5.0
184.07323	100.0
187.14766	5.3
189.16399	4.4
201.16409	3.0
205.15807	9.8
210.94756	2.4
258.95987	2.2
358.85190	2.2
425.34470	3.4
443.35144	17.4
489.35077	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3572
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.74994	1.6
51.02374	2.6
52.18627	1.6
53.03934	7.0
53.75055	1.8
55.01863	10.0
55.05266	3.3
55.05503	30.3
57.03424	15.8
57.07060	5.5
65.03929	6.2
67.05496	80.2
69.03420	4.3
69.07056	24.0
69.63895	15.5
71.04978	7.4
73.06550	2.0
77.03931	2.1
79.05486	90.1
81.03413	10.0
81.07046	86.4
81.07536	3.1
83.04974	17.0
83.08616	19.1
85.06495	3.4
85.10194	2.8
91.05468	61.4
93.07030	100.0
94.07388	2.1
95.04955	21.8
95.08592	78.9
97.02854	3.8
97.06503	9.9
97.10159	7.2
98.98452	53.0
99.08075	3.1
103.05444	3.0
104.29839	2.0
105.07016	53.8
107.04951	9.2
107.08580	62.3
109.06497	11.6
109.10139	26.6
111.08065	4.9
113.09617	2.1
113.53588	2.0
116.99466	2.4
117.06993	22.1
119.07727	3.7
119.08566	67.3
121.06473	6.3
121.10126	43.1
123.08051	9.9
123.11683	10.8
125.05968	3.5
125.09565	4.1
128.06204	3.0
129.06969	11.8
130.07779	4.9
131.08546	29.9
133.09157	1.5
133.10110	36.5
135.05266	2.1
135.08044	5.3
135.11679	45.1
137.00038	4.0
137.09569	5.7
137.13220	3.3
143.08534	11.1
145.10100	54.3
147.10565	3.4
147.11671	44.5
149.09570	6.3
149.13220	8.6
151.11180	3.3
153.12706	4.0
155.01025	59.1
155.08487	3.3
157.10118	5.3
159.11664	26.0
161.09587	2.7
161.13258	17.9
163.07594	3.1
163.11163	39.8
163.14769	10.7
171.11673	19.7
173.09583	3.0
173.13225	19.8
175.14850	10.6
177.12715	2.6
177.16408	10.0
179.14452	3.2
181.12231	6.2
183.11719	2.0
185.13237	3.9
187.14796	25.6
188.15071	2.3
189.12773	9.1
189.16316	24.1
199.14902	3.9
201.16388	28.9
203.17924	8.0
205.15851	32.2
207.13824	17.3
207.17442	9.9
209.11694	3.7
211.03723	4.1
213.16365	3.6
215.17798	3.1
219.17393	13.4
227.12727	41.3
227.17839	2.1
229.04741	5.3
233.15259	2.8
243.21049	25.3
247.16957	5.6
261.22104	29.2
317.24643	7.4
331.79248	1.8
335.25766	55.3
336.26239	2.4
375.38202	1.7
389.31836	2.3
407.33060	32.7
425.34265	25.7
443.34879	7.7
453.33591	6.8
471.24857	2.9
489.28342	32.8
489.35062	3.5
490.28696	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3568
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.69402	7.6
55.05495	14.9
58.66123	7.4
65.17656	8.2
67.05487	26.4
69.07043	14.8
69.65344	44.7
69.65771	23.8
79.05505	11.7
81.07032	32.8
85.92084	9.4
91.05450	23.5
93.07030	44.2
95.03568	9.2
95.04924	13.5
95.08584	34.0
99.08050	19.6
105.07007	32.0
105.33410	9.9
107.08612	45.0
109.10163	12.1
119.08568	77.4
121.10140	42.3
123.11626	11.9
130.90704	8.1
131.08542	33.9
133.10121	44.0
135.11659	30.0
137.33411	7.7
145.10057	45.6
147.11682	47.0
159.11653	28.4
161.13229	23.2
163.11203	15.5
173.13313	20.5
175.14781	13.0
187.14804	44.7
189.16364	36.0
198.33682	9.3
201.16385	100.0
203.17773	10.4
205.15845	75.2
207.17436	14.7
217.19659	8.5
219.17354	18.5
238.05344	8.6
238.16356	9.4
339.58475	8.8
407.33096	40.1
416.66754	9.0
425.34018	26.6
453.33841	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3571
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03931	0.7
55.05504	4.6
55.74583	0.3
57.03429	2.7
57.07053	2.1
57.38921	0.5
59.05009	0.5
64.94315	0.4
65.03924	0.6
65.18047	0.5
67.05493	14.1
69.07050	6.5
71.04972	0.7
71.71897	0.7
77.03909	0.4
79.05484	10.2
81.07043	19.5
83.04964	1.3
83.08608	5.1
85.06509	0.8
91.05462	9.4
93.07029	17.2
95.04957	1.6
95.08591	20.7
97.06506	1.4
97.10147	2.1
98.98450	9.5
99.08080	0.8
99.49795	0.4
105.07014	13.7
107.04938	0.4
107.08576	19.3
109.06505	2.7
109.10138	14.6
111.08066	1.5
116.99482	0.6
117.06989	3.4
119.08561	20.0
120.08865	0.5
121.06503	1.6
121.10121	16.9
122.10411	0.4
123.08053	5.4
123.11689	5.2
125.09595	1.5
128.06186	0.5
129.06978	1.5
130.07768	0.7
131.08549	9.6
133.06390	0.4
133.10103	16.5
135.08008	2.9
135.11670	9.8
136.99957	0.8
137.09602	1.0
137.13251	1.7
139.07573	0.4
139.11125	0.8
142.07814	0.5
143.08585	2.3
144.09326	0.6
145.10100	15.6
146.10513	0.4
147.11650	12.0
149.09572	2.4
149.13235	8.6
151.11157	1.8
155.00995	8.7
155.08569	0.9
157.10085	2.9
158.10902	0.5
159.11679	10.6
161.13223	6.7
163.07526	0.5
163.11153	1.9
163.14803	7.6
165.12747	0.9
167.10695	0.6
169.10114	0.7
171.11674	3.4
173.11819	0.7
173.13225	6.2
175.11115	0.6
175.14824	6.1
177.12723	1.3
177.16370	6.0
179.10635	0.6
179.14340	0.8
183.11674	0.8
185.13260	3.3
186.13922	0.6
187.11235	0.6
187.14790	14.9
188.15088	0.6
189.12796	0.6
189.16344	6.1
191.14240	0.8
191.17932	1.5
197.13313	0.8
199.14729	2.5
201.16359	22.6
203.14259	1.2
203.17909	6.3
205.15848	20.1
206.16298	0.5
207.17458	1.0
211.14735	0.7
213.16447	2.7
215.17949	2.5
217.15878	0.6
217.19553	0.5
219.17400	3.1
221.15385	0.9
223.16885	7.3
227.17882	1.6
229.04706	0.8
229.15933	0.7
229.19458	2.7
231.17383	1.4
233.15332	1.2
235.16910	1.0
239.17751	0.6
241.19537	1.7
243.21045	4.9
245.19029	0.5
247.16901	5.4
249.18582	0.5
251.16327	0.8
253.19490	0.6
255.17421	0.5
255.18344	0.6
255.20996	5.0
257.19266	0.5
257.22659	1.9
261.22101	4.4
269.22604	2.0
271.20450	0.7
273.21954	0.5
287.20111	0.5
288.85846	0.4
289.21741	0.5
301.21591	1.7
303.23108	1.7
315.23297	0.7
317.24780	1.3
335.25778	10.2
336.26099	1.0
347.25690	6.9
355.26135	0.4
373.27402	4.8
379.30057	0.7
389.32047	1.3
397.31122	0.6
407.33017	5.3
425.34274	5.5
435.32623	3.6
443.35156	100.0
444.35425	3.7
453.33841	2.2
471.25006	1.8
471.34906	2.6
489.35727	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	1.1
53.03936	3.6
55.05504	11.8
56.05828	2.2
57.03429	1.8
67.05499	24.9
68.05818	4.4
69.07063	7.9
70.07382	1.3
79.05479	31.1
80.05819	8.4
81.03400	2.8
81.07045	29.0
82.07373	4.9
83.04974	6.3
83.08598	6.3
85.06514	1.7
91.05460	23.8
92.05801	8.3
93.07033	24.9
93.96345	1.3
94.07377	8.7
95.04957	11.1
95.08597	25.6
96.05283	2.5
96.08907	3.6
96.64057	1.2
97.06524	4.2
97.10118	1.5
98.20728	2.4
99.08068	1.3
105.07009	21.4
106.07339	6.3
107.04935	2.7
107.07896	2.0
107.08588	19.8
108.08908	3.4
109.06498	4.6
109.10134	13.1
115.05480	1.5
117.06984	3.7
118.07339	2.3
119.08561	16.8
120.08883	4.9
121.06486	2.6
121.09264	1.8
121.10123	14.8
122.10468	1.5
123.08035	3.8
123.11682	3.1
129.07014	6.0
130.07310	3.2
131.08533	9.4
133.10112	11.7
134.10516	2.8
135.08072	1.3
135.10757	1.5
135.11664	6.3
137.09615	1.7
141.65739	1.3
143.08536	3.7
144.08830	1.7
145.10094	11.4
146.10472	3.5
147.11664	21.1
148.12024	5.9
149.09648	1.3
149.12263	1.6
149.13237	8.5
153.83458	1.2
159.11694	7.4
161.09599	1.7
161.13234	8.5
162.13600	1.7
163.11180	1.7
163.14809	5.5
170.10637	1.3
171.11644	9.1
172.11992	6.0
173.13373	2.4
175.14781	4.3
177.16400	7.4
185.13187	2.2
187.14796	17.2
189.12672	1.9
189.16292	2.6
190.12984	1.6
191.14453	1.8
199.14780	1.8
201.16350	5.8
203.14407	1.3
205.15851	43.1
207.13728	6.0
208.14171	7.3
209.14383	2.1
215.17889	4.4
219.17456	1.3
223.16925	2.9
229.19528	1.6
241.19545	1.3
255.21072	1.7
261.84662	1.5
269.22540	2.2
283.18192	1.7
407.33350	1.4
415.07947	1.5
425.33923	8.2
443.35159	100.0
444.35257	4.1
453.32700	1.6
471.33807	3.9
489.30399	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	489.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	16.2
67.05490	23.4
69.03412	4.7
69.07062	9.9
70.90696	15.3
72.51531	4.6
79.05483	16.9
81.07052	29.4
83.04970	7.7
83.08603	12.7
85.06515	5.1
91.05493	25.9
93.07024	37.0
95.04945	12.6
95.08586	37.6
99.08064	11.7
105.07018	43.9
107.08589	50.1
109.06483	6.0
109.10153	26.8
117.07011	10.3
119.08577	68.2
121.06475	6.3
121.10125	32.6
123.08040	7.6
123.11696	12.0
130.06039	4.8
131.08582	35.6
133.10121	47.2
135.04396	7.8
135.08067	10.9
135.11642	26.5
137.05943	5.9
137.09538	7.9
145.10110	51.4
147.11671	65.8
147.12726	8.3
149.13214	8.3
157.10088	13.3
159.11711	31.5
161.13286	19.8
163.03963	9.7
163.11180	12.0
163.14812	15.0
171.11649	11.8
173.13260	23.2
175.14789	18.7
177.12799	7.5
177.16368	22.7
185.13258	10.0
187.14816	44.8
189.12656	5.3
189.16386	49.2
199.14796	9.7
201.16379	100.0
203.17888	6.0
205.15860	75.4
207.17410	14.7
211.14749	5.9
215.18030	10.1
217.12225	10.3
219.17409	15.1
249.18823	6.9
303.55872	5.0
353.28583	7.0
407.32990	42.4
408.33365	7.2
425.34100	22.5
453.33521	16.5
471.35074	5.8
489.35519	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	489.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32498	2.8
53.03937	4.6
55.01867	4.1
55.05496	11.9
57.07077	5.2
62.11470	3.4
67.05501	17.8
69.03411	5.8
69.07049	13.7
69.64551	11.0
69.64981	12.2
72.02238	2.5
79.05480	21.2
80.89456	2.5
81.07045	32.8
83.08612	10.7
85.02900	4.8
85.06540	4.6
91.05458	23.0
93.07031	42.6
95.04962	6.9
95.08591	41.6
97.06499	4.9
99.08067	10.1
105.07018	49.7
107.04933	6.3
107.08584	56.4
109.06499	4.8
109.10117	25.0
111.08085	3.2
117.07011	9.0
119.08576	76.7
121.10139	43.8
123.08043	6.4
123.11687	10.2
129.06989	4.0
131.08542	33.5
133.10115	52.7
135.08044	4.9
135.11664	26.4
137.09558	4.3
143.08565	7.8
144.09261	3.2
145.02760	3.7
145.10118	44.1
146.14412	2.8
147.08022	3.7
147.11670	76.0
149.09605	5.1
149.13248	11.9
157.10146	12.9
159.11670	39.2
161.05951	3.8
161.09593	3.3
161.13206	16.7
163.11151	11.2
163.14804	12.3
164.99673	2.8
165.09001	3.6
169.10089	3.0
170.10812	4.5
171.11729	8.4
173.05983	2.8
173.13234	21.1
175.11195	5.0
175.14719	18.2
177.05447	6.3
177.12787	6.8
177.16350	22.1
181.05064	4.6
183.11711	4.3
185.13214	9.4
187.14796	53.1
189.16359	24.8
191.14294	4.4
191.17923	6.6
197.13208	5.2
199.14847	10.0
201.16365	100.0
202.16573	3.2
203.14378	4.0
203.17882	7.2
205.15874	78.0
207.17435	12.8
213.16347	9.4
215.17809	3.6
217.12267	7.4
217.15924	5.2
219.17409	19.4
223.16896	6.0
226.72350	3.4
227.17975	5.9
237.04747	2.9
241.19716	3.2
245.19090	3.0
247.16914	5.8
283.20459	3.6
317.69440	3.1
353.28210	6.8
357.62366	3.1
372.56360	3.1
389.31934	10.1
407.33127	40.6
425.34113	26.9
435.32526	5.1
453.33981	22.3
471.34787	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	489.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	6.3
55.01855	7.0
55.05499	21.5
56.02804	3.8
57.07057	9.0
67.05492	30.4
69.03413	16.6
69.06740	3.8
69.07049	24.4
69.42461	4.0
69.67345	13.7
69.67772	15.1
70.06570	4.5
71.04962	12.6
79.05485	26.5
79.05856	3.9
81.03416	18.6
81.07042	48.9
83.04958	10.8
83.08612	11.5
85.02908	19.5
85.06532	8.8
91.05472	41.1
93.07026	64.2
95.04936	15.4
95.08597	59.6
97.02867	11.9
97.06516	10.9
99.03111	3.7
99.04449	7.9
99.08050	7.2
103.05439	5.3
105.07011	56.4
107.04977	4.1
107.08575	61.1
109.02859	5.5
109.06507	14.9
109.10130	35.2
109.37332	3.8
111.04413	5.6
111.08057	11.1
113.05970	8.1
115.05424	6.2
117.06960	8.6
119.04922	4.4
119.08563	78.1
120.08076	13.4
121.06483	12.2
121.10133	100.0
123.04396	7.8
123.08029	11.1
123.11676	13.4
125.09626	9.4
127.03857	9.6
127.11192	4.9
129.06978	8.8
131.08554	39.7
133.02864	5.1
133.06451	6.0
133.10110	46.0
134.74178	4.3
135.04343	6.7
135.08025	10.1
135.10762	4.4
135.11650	24.9
137.05988	21.9
137.09570	10.4
139.07472	4.1
139.11185	5.4
143.08517	7.4
145.02803	6.6
145.10117	38.7
147.04399	19.2
147.08032	4.9
147.11646	47.2
149.09599	75.5
149.13235	14.6
151.03926	4.6
151.07506	7.7
151.11131	6.0
153.09132	5.9
155.08522	4.1
157.10123	13.5
159.08051	4.0
159.11702	34.5
161.05962	7.7
161.09566	8.7
161.13226	17.6
163.03873	7.3
163.07513	6.2
163.11165	9.3
163.14705	11.2
165.05464	4.0
165.09106	8.9
167.07014	11.8
167.10692	4.6
167.72038	4.4
169.81245	4.1
171.11636	8.9
173.05937	5.0
173.13219	25.7
175.07677	4.6
175.14760	17.2
177.05528	5.2
177.16362	14.9
179.03387	35.6
179.14331	5.1
181.04987	8.4
185.13251	11.8
185.92900	4.1
187.11179	8.3
187.14769	40.9
189.08992	4.5
189.12712	7.8
189.16299	27.4
191.03413	7.7
191.14250	5.9
191.17909	7.9
197.13168	8.6
199.14821	9.0
201.16405	43.0
203.14299	8.9
203.17978	9.0
205.15822	41.7
207.17468	9.5
211.14912	4.2
217.15833	5.2
219.17476	6.4
223.16872	5.2
249.72690	4.1
281.12869	9.0
293.13858	12.3
327.12936	5.5
393.83728	4.0
407.33264	28.9
425.34207	19.4
443.35413	4.8
453.33469	15.7
471.30872	12.4
489.10489	5.1
489.17416	5.0
489.32944	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	489.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.9
55.01851	4.1
55.05504	15.3
57.03421	4.8
57.07062	6.6
61.02916	3.4
61.58346	3.4
63.85437	2.5
65.03952	4.3
67.05494	19.9
69.03427	18.5
69.07063	15.1
69.41686	31.3
71.04973	11.1
79.05486	31.6
81.03419	17.0
81.07052	41.9
83.04952	9.1
83.08585	9.5
85.02874	16.7
85.06516	7.7
86.03233	3.0
86.09691	3.0
91.05475	36.8
93.07038	48.7
95.04957	12.9
95.08598	46.1
97.02868	7.1
97.06517	8.7
97.10150	3.6
99.04407	3.6
99.08072	13.2
103.05473	4.2
105.07015	55.0
107.04942	5.9
107.08588	42.7
109.02847	7.2
109.06483	8.7
109.10130	34.3
111.04423	6.1
111.08053	8.8
113.05951	8.9
115.05433	4.2
117.06989	6.9
119.04900	4.5
119.08566	59.3
120.08075	8.7
120.08884	4.1
121.06490	11.6
121.10128	100.0
122.10463	3.2
123.04389	9.7
123.08054	9.0
123.11684	8.9
125.09637	3.4
127.03911	10.2
129.06976	4.9
131.08557	32.1
133.02820	9.3
133.06424	5.3
133.10118	38.1
135.08028	10.3
135.11644	21.1
137.05963	20.6
137.09596	11.1
137.13165	6.0
139.11165	3.8
143.08508	8.7
145.10132	35.1
146.06041	3.1
147.04408	10.7
147.08015	7.6
147.11652	32.4
149.05965	3.9
149.09608	71.3
149.13268	12.9
150.09979	4.4
151.03877	5.5
151.07471	4.4
151.14799	3.5
153.05394	6.3
155.08542	4.8
157.10066	12.2
159.07994	6.5
159.11685	35.0
161.09586	4.8
161.13255	14.0
163.03918	9.5
163.07544	6.9
163.11148	7.1
163.14787	10.0
163.26062	3.1
165.09074	6.2
165.12759	3.3
167.07028	14.0
171.11673	8.1
173.05997	3.8
173.13289	20.6
175.07503	4.7
175.14792	12.7
177.05437	5.3
177.12735	6.6
177.16368	11.2
179.03398	34.1
181.05025	3.6
183.11668	5.1
185.13240	11.9
187.11073	4.7
187.14789	29.8
189.09145	3.3
189.12762	3.6
189.16373	24.1
191.03410	7.2
191.07033	3.3
191.14304	6.5
195.08095	3.1
197.13332	4.8
199.14803	6.1
201.12683	6.2
201.16357	51.1
203.14314	4.5
205.15852	37.3
207.13777	6.1
207.17438	8.4
211.14737	4.9
213.16331	5.5
217.15770	4.9
219.17407	10.5
223.16905	4.6
227.17888	4.2
231.17358	4.2
237.02869	4.6
281.12939	5.4
283.20737	3.3
293.13889	9.2
299.12961	3.6
311.14801	5.1
313.07040	6.4
389.31812	3.2
407.33209	19.0
415.58218	3.1
425.34225	17.7
435.32693	5.7
453.23950	4.7
453.33536	13.0
471.30759	5.6
489.18271	6.5
489.24960	6.6
489.32675	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	489.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11433	3.8
53.03934	5.6
53.21887	3.2
55.01851	3.2
55.05318	2.8
55.05507	31.4
56.17186	2.9
57.07069	7.2
67.05500	27.8
68.38436	3.4
69.03404	11.7
69.07071	24.4
69.69412	27.6
70.64503	3.3
71.04990	8.3
79.05482	29.3
81.03394	3.5
81.06606	4.8
81.07046	59.1
83.04961	9.5
83.08618	23.1
84.24057	3.9
85.02889	10.9
85.06516	5.8
91.05462	36.7
92.05747	4.1
93.07030	68.8
95.04980	10.7
95.08600	78.9
97.06507	12.6
97.10138	6.0
99.08067	9.4
100.24200	3.4
103.05449	6.6
104.05299	8.0
105.07025	57.2
107.04985	6.4
107.08582	88.2
109.02885	4.6
109.06489	11.3
109.10139	61.4
111.08041	8.7
117.07008	15.5
119.04963	3.9
119.07731	6.3
119.08563	100.0
121.06488	5.8
121.10130	79.7
123.08023	12.2
123.11655	23.2
125.05983	6.7
125.09599	9.2
127.03898	7.0
129.06999	5.8
131.08545	38.1
133.10115	71.0
135.08038	10.2
135.11679	40.4
136.02957	3.5
137.05963	21.0
137.09543	9.6
137.13232	8.1
139.07494	5.7
139.11172	5.9
143.08551	22.9
145.10103	51.3
146.06302	4.7
147.07964	7.8
147.10562	6.7
147.11668	74.2
149.06003	3.7
149.09605	14.9
149.13246	30.1
151.07536	5.4
151.11139	8.8
153.09099	4.9
155.08475	4.8
156.09309	7.9
157.10130	26.0
158.10861	6.8
159.11658	58.1
159.53102	3.8
161.09598	9.7
161.13255	19.8
163.07500	4.8
163.11217	16.9
163.14810	27.9
167.07050	7.3
169.10091	8.6
170.10902	6.9
171.11673	30.8
172.12399	6.1
173.09631	3.9
173.13251	41.2
175.11174	4.9
175.14807	30.6
177.12708	20.2
177.16351	14.6
179.08641	5.0
179.10637	5.0
181.06256	3.7
181.10056	4.8
181.12183	6.1
183.11691	19.5
185.13248	26.3
187.14815	42.4
189.12686	6.6
189.16405	32.9
191.14299	11.2
191.17900	4.9
195.11871	5.3
195.13780	21.5
197.13239	8.1
199.14793	16.6
201.16373	61.9
202.16606	4.2
203.14243	11.1
203.17914	15.3
205.15857	42.5
205.19440	3.4
207.17409	7.1
209.13354	7.0
209.15265	7.7
211.14775	6.6
213.16374	22.4
215.17894	9.6
217.15836	7.9
217.19536	4.4
219.17383	10.4
221.15331	5.7
221.25977	4.1
223.16867	6.9
225.16252	5.5
227.17987	12.8
229.19421	4.9
231.17400	4.8
239.17920	5.9
241.19510	8.5
242.08119	6.1
243.21198	5.7
245.18938	6.4
247.16840	4.5
249.18568	3.9
253.19539	4.3
255.21045	12.5
257.22598	3.8
267.21072	4.6
269.22546	5.0
273.22031	4.6
281.22363	3.6
283.20499	12.1
289.21484	7.1
295.23990	4.8
301.21530	13.3
303.23035	5.0
309.11209	4.0
315.23154	6.3
341.24536	3.6
355.26239	5.1
385.49075	3.7
389.31995	6.3
407.28278	5.0
407.33075	51.4
425.34360	24.1
435.32675	34.1
443.34973	10.3
453.28842	5.1
453.33777	55.7
471.29410	4.5
471.35043	10.4
489.17712	6.8
489.25034	4.8
489.31949	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	490.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87695	4.4
51.20548	5.0
51.39043	5.2
53.89066	5.4
55.05501	18.4
57.07034	6.3
57.82788	5.8
67.05495	44.2
69.07059	11.6
79.05489	22.5
81.07053	28.4
83.08616	13.1
91.05473	26.1
93.07056	30.7
95.04957	11.1
95.08582	55.8
98.98443	5.4
105.07036	26.0
107.08582	53.6
109.10111	31.8
117.07016	10.8
119.08565	42.7
121.10145	40.8
123.11657	10.3
131.08571	14.5
133.10110	38.2
135.11662	16.2
143.08569	6.4
145.10155	28.4
147.11684	29.3
149.13283	13.8
153.09065	6.2
159.11674	20.3
161.13242	13.0
163.11157	20.1
163.14819	6.8
173.13235	9.8
175.14772	16.7
177.16380	19.5
187.14825	37.9
189.16348	48.0
191.17917	6.9
201.16469	8.6
203.17967	61.7
205.15854	100.0
205.19481	6.5
207.17488	10.2
230.05524	7.3
241.64096	6.6
249.18439	17.2
295.24088	7.0
391.33508	6.6
409.34839	31.5
437.34235	24.7
455.35202	16.1
490.35834	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	491.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.3
55.01871	0.7
57.03423	1.3
61.02917	0.5
64.87022	0.6
67.05493	0.6
69.03423	6.5
69.35792	0.9
69.36192	6.0
70.06562	0.8
71.04976	1.4
71.81024	0.5
73.02874	0.9
76.04771	0.6
79.05469	2.7
81.03403	4.4
82.51275	0.5
84.08139	0.5
85.02889	12.0
86.03199	0.6
91.05463	7.3
93.07033	6.2
95.04971	3.1
95.08615	0.7
97.02882	5.0
97.06535	0.9
98.21461	1.2
98.97562	0.8
99.04432	2.0
103.05444	1.9
105.07006	7.7
107.04948	0.9
107.08608	0.6
109.02880	2.9
109.06448	1.1
121.06487	34.8
123.04417	0.8
123.08083	1.0
125.05964	1.4
127.03902	5.3
131.04906	3.8
133.06477	20.2
134.03583	1.6
137.05957	0.7
139.07484	1.9
145.04970	3.3
145.05992	0.6
147.04405	2.7
149.05954	100.0
150.06323	2.3
151.07512	2.0
161.05943	0.7
167.07018	32.7
168.07385	1.0
173.04494	0.6
177.00691	0.6
185.08076	1.6
237.02505	0.8
267.06433	0.6
293.10095	2.1
311.11234	2.8
325.94888	0.6
368.12433	0.5
407.90515	0.6
420.86078	0.6
450.90533	0.6
473.16486	4.7
491.17160	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05013	1.2
56.17107	1.0
57.03441	1.0
65.03910	0.9
69.03417	4.7
69.07085	1.2
69.94398	6.2
70.06583	3.8
71.04992	1.4
72.08140	2.2
79.05465	1.3
81.03396	3.4
84.04495	1.8
84.08109	1.7
85.02905	6.5
86.09705	1.8
91.05470	7.6
93.07040	1.7
95.04940	2.5
97.02863	2.6
99.04391	1.3
105.07039	1.2
107.04932	1.6
107.08610	1.1
109.02887	1.4
109.10139	1.8
111.04440	1.2
113.85448	1.1
119.04919	17.9
120.08140	1.5
121.06493	1.2
122.06010	2.9
123.04435	1.1
127.03899	1.6
129.10217	1.0
135.04358	1.1
138.05469	1.2
140.06921	1.1
140.67609	1.1
147.04388	100.0
148.04716	1.4
150.05481	2.3
163.03902	6.0
165.05472	2.9
167.07062	1.3
168.06543	5.4
177.05463	1.0
181.04840	1.4
187.17052	1.1
206.04314	1.2
290.45224	1.1
291.08517	1.7
309.09683	3.7
311.10452	1.1
346.75104	1.0
455.14835	1.1
491.20944	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	491.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.6
55.01853	9.7
59.06065	2.4
61.02896	2.8
64.17533	2.1
67.05498	13.3
69.03419	15.5
69.07063	16.1
69.64428	14.5
69.64838	5.2
70.06580	5.3
71.04980	27.9
72.59904	2.2
73.02882	3.3
75.65952	2.0
78.57442	2.1
79.05460	8.7
81.03417	10.6
81.07048	13.0
83.04955	4.6
85.02898	20.9
85.06540	13.1
85.85432	2.6
86.09641	2.9
87.00797	5.3
87.04440	2.7
87.81368	2.2
89.03895	3.8
91.05451	9.6
93.07048	11.8
93.07509	2.1
95.04935	3.0
95.08593	12.8
97.02869	7.9
97.06503	7.5
99.04425	4.8
99.08083	2.5
105.01833	2.8
105.07021	5.4
107.04917	6.8
107.08541	8.0
109.02869	8.0
109.10122	5.8
111.08082	21.9
114.18774	2.4
117.03342	5.9
117.07004	4.1
119.04910	4.2
119.08539	6.5
121.10104	14.0
123.04430	5.6
125.09624	11.0
127.03954	10.5
131.08589	2.8
133.10114	5.9
135.04414	4.5
137.05923	3.6
137.09575	3.5
139.11159	5.0
145.02818	13.6
145.04945	3.0
145.06415	4.7
147.04390	10.9
149.05959	3.3
149.09558	3.7
151.03902	3.2
151.11218	3.0
153.05441	4.0
154.04912	2.4
155.44809	2.4
163.03886	16.7
164.10722	2.1
167.07001	27.8
173.05974	7.0
177.05449	19.9
181.04958	5.8
184.07323	3.6
189.16327	5.5
207.17390	4.1
225.18463	100.0
233.08095	3.6
312.95938	2.2
347.36267	2.3
461.17657	3.8
481.83896	2.4
491.19653	13.9
491.29877	82.3
492.30414	2.3
493.13339	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	10.3
53.29222	1.7
55.01629	2.6
55.01864	30.0
55.05505	54.1
57.03422	12.3
59.04992	9.4
62.65212	1.8
65.03913	3.8
66.21919	1.7
67.05495	44.8
68.32928	1.7
69.03426	4.7
69.07063	10.9
70.96423	5.0
71.01331	4.2
71.04977	12.6
79.05484	68.1
80.05824	2.1
81.03409	34.6
81.07044	52.8
83.01331	25.7
83.01817	2.4
83.04971	39.9
83.08612	25.7
85.02885	7.9
85.06493	2.3
91.05466	48.4
91.83519	1.5
93.07034	80.6
95.04950	24.6
95.08588	28.4
97.02873	7.4
97.06494	11.6
97.10159	5.1
99.04443	7.8
99.08052	1.8
105.04527	2.6
105.07017	32.4
107.04951	25.4
107.08588	36.6
109.06510	23.7
109.10131	5.8
111.04421	7.7
111.08069	5.6
113.06025	2.5
117.06989	25.8
119.08560	27.4
121.06490	12.1
121.10110	22.9
123.08044	23.8
125.05984	5.6
125.09576	4.3
129.06969	7.0
130.07776	6.2
131.08540	9.5
133.06592	2.0
133.10086	5.7
135.08020	5.9
135.11668	39.5
137.09602	3.1
143.08543	2.4
145.10109	51.6
147.08018	7.2
149.09612	3.5
153.12694	15.7
155.08543	3.7
163.11162	100.0
173.09595	11.9
181.12213	14.4
191.10609	10.6
195.91150	1.7
209.11723	26.9
227.12715	13.8
283.15286	2.5
302.25470	2.0
473.66895	2.0
491.26343	84.0
492.26559	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	491.2994
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03936	9.5
53.65813	2.6
55.01871	6.1
55.05502	32.0
57.03448	13.2
65.03944	4.0
67.05495	76.0
69.07059	21.9
71.04981	8.2
71.71445	4.1
76.14177	2.8
79.05484	79.7
81.03405	54.8
81.07045	75.3
82.07331	2.5
83.00456	2.8
83.04955	20.3
83.08607	30.1
85.02901	18.1
85.06519	3.5
91.05467	100.0
92.91382	2.6
93.07032	73.0
95.04961	35.7
95.08590	43.6
97.02846	2.9
97.06515	10.2
97.10164	11.5
98.98450	19.5
99.08044	3.2
105.07008	54.9
107.04956	14.4
107.08592	27.2
109.06518	8.1
109.10122	14.9
111.08075	11.6
117.07012	17.9
119.04916	3.1
119.08566	34.3
121.06477	4.0
121.10132	18.1
123.08049	8.0
123.11703	12.2
125.09621	7.7
128.06209	7.8
129.06999	26.6
131.08559	16.7
133.06494	5.1
133.10106	23.7
135.04381	4.3
135.08070	5.0
135.11690	7.4
137.09607	4.2
141.06990	3.9
142.07803	4.3
143.08553	12.1
145.10130	17.4
147.08022	4.9
147.11659	37.9
149.09631	5.7
149.13170	4.4
155.01027	19.6
157.10101	10.6
161.09566	4.1
161.13248	11.8
163.11147	8.6
169.10115	3.4
171.11659	28.4
173.13132	2.8
175.11168	11.5
177.55396	2.8
180.52068	2.6
181.10149	2.8
185.13304	3.7
189.12727	6.7
193.12180	29.4
203.14189	3.0
207.13742	22.7
211.13231	21.2
225.14821	3.9
227.12767	5.4
243.16043	3.5
249.14816	5.1
256.13000	2.6
267.15884	18.6
281.17441	20.9
337.27145	14.1
381.24219	4.3
399.24902	6.9
473.28955	38.1
491.30231	38.6
503.14722	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.5
55.01868	14.3
55.05506	50.7
57.03437	17.9
57.07043	3.2
59.04987	3.9
59.40380	2.9
61.75389	2.6
63.02600	2.4
65.03919	3.4
67.05498	73.6
69.03417	5.2
69.07058	18.2
71.04970	10.8
71.09415	7.6
73.06535	2.5
77.51633	2.4
79.05482	84.6
81.03400	57.3
81.07045	68.3
83.01324	7.8
83.04975	27.9
83.08604	34.8
85.02897	15.7
85.06513	4.2
91.05466	100.0
93.07032	89.8
93.07500	1.5
95.04956	43.9
95.08590	38.7
97.02879	4.4
97.06514	13.0
97.10155	14.5
99.04450	3.3
99.08074	9.3
105.07015	58.5
105.80730	3.6
107.04947	21.0
107.08564	31.4
109.06503	12.4
109.10139	15.2
111.04457	3.7
111.08064	13.0
115.05433	6.2
117.07002	30.3
119.08565	42.4
121.06472	7.5
121.10126	19.4
123.08021	13.2
123.11682	10.1
125.09609	9.6
127.07562	3.3
128.06207	4.4
129.07016	23.6
131.08530	20.9
133.06493	5.4
133.10109	20.6
135.08025	7.2
135.11649	23.0
142.07726	5.1
143.08559	13.2
145.06445	6.1
145.10089	27.7
147.08069	5.2
147.11688	29.2
149.09570	5.5
151.11177	4.9
153.12721	7.2
155.08524	4.9
157.10146	7.7
161.09637	5.1
161.13203	6.5
163.11174	29.2
165.12811	4.6
171.11649	19.6
173.09601	4.5
175.11142	7.8
181.12219	7.1
185.13300	4.2
187.14758	3.1
189.11252	6.1
189.12813	7.2
191.10565	4.2
193.05339	2.7
193.12221	24.6
207.13734	21.2
209.11700	10.2
211.13187	16.5
219.53787	2.8
226.13930	2.8
227.12729	24.6
249.14842	10.0
267.15887	15.6
281.17398	16.6
305.17374	4.1
381.24329	4.0
399.25079	7.7
473.28989	37.4
491.26266	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	491.2996
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03932	9.3
55.01855	2.5
55.05503	31.1
57.03437	12.4
57.82805	1.9
59.04977	2.2
65.03916	4.6
67.05136	4.3
67.05493	63.6
69.03417	4.8
69.07072	13.9
71.04971	6.2
71.15956	4.0
79.05480	81.5
81.03403	55.4
81.07044	66.4
82.07306	2.2
83.04968	17.4
83.08607	22.0
85.02869	12.5
85.06517	3.1
91.05468	100.0
93.07031	54.4
95.04960	34.3
95.08593	27.8
97.02883	4.3
97.06515	7.1
97.10152	11.0
99.08060	3.7
103.05443	5.6
105.07018	56.6
107.04933	9.0
107.08574	24.4
107.13235	2.2
109.06519	9.3
109.10143	7.3
111.08066	11.4
115.05425	5.3
117.07018	20.9
119.04906	2.3
119.08562	36.5
121.06464	5.8
121.10116	8.8
123.08045	6.1
123.11684	11.8
125.09616	6.6
128.06204	4.4
129.06990	24.4
131.08559	16.6
131.14227	2.3
133.06451	3.9
133.10089	23.5
135.08038	2.5
135.11688	3.2
142.07736	4.2
143.08517	11.0
145.06459	2.2
145.10117	14.9
147.08052	4.4
147.11662	30.0
149.09610	5.7
157.10115	9.4
159.08026	2.3
159.11705	3.1
161.09622	3.5
161.13208	8.7
163.11160	3.5
167.83401	2.0
171.08058	2.1
171.11661	20.8
175.11162	8.4
185.13242	3.7
187.13271	6.9
189.11226	4.8
189.12738	10.9
193.12218	28.2
207.13751	21.3
211.13234	24.3
227.12640	4.6
231.13814	2.8
243.16054	4.8
247.16966	2.5
249.14844	8.7
267.15887	17.2
281.17462	21.1
381.24237	5.0
399.25125	6.6
473.28836	41.9
491.30112	37.7
509.13150	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.6
53.03943	8.9
54.73822	1.5
55.01658	1.4
55.01867	14.3
55.05502	38.5
57.03427	13.4
57.07066	2.4
59.04980	4.3
62.79396	1.3
65.03929	4.3
67.05496	66.9
69.03416	4.9
69.07059	16.6
70.55918	1.5
71.05008	10.4
71.71127	2.4
74.93723	1.5
77.40588	1.5
79.05482	87.0
81.02938	3.2
81.03407	53.9
81.07046	71.6
83.01318	5.3
83.04969	27.0
83.08158	2.7
83.08607	26.7
85.02896	14.0
85.06527	4.7
87.04461	1.5
91.05466	100.0
93.07033	77.2
94.07375	1.9
95.04957	41.3
95.08591	38.8
97.02865	5.0
97.06510	12.1
97.10169	12.0
99.04455	1.7
99.08069	1.9
103.05445	3.4
105.04543	2.0
105.07014	59.0
105.85282	1.5
106.07293	2.4
106.42840	1.9
107.04947	18.3
107.08575	35.2
109.06493	11.4
109.10155	8.8
111.04458	2.6
111.08079	9.3
113.05986	1.9
115.05434	3.8
117.06999	23.4
119.04910	2.9
119.08559	42.5
121.06480	7.8
121.10122	18.6
123.08028	11.4
123.11658	9.8
125.06029	1.8
125.09613	7.1
128.06189	3.3
129.06985	24.7
130.07712	2.7
131.04890	1.6
131.08545	18.6
133.06479	5.6
133.10100	19.4
135.08029	5.1
135.11679	19.9
137.09592	2.4
139.07535	1.9
141.06975	4.8
142.07732	1.7
143.08557	13.5
145.06429	4.0
145.10110	29.8
147.04358	2.4
147.08058	4.9
147.11665	34.8
149.09590	5.0
151.11252	2.6
153.09099	2.7
153.12698	3.3
155.08585	3.3
157.06470	2.7
157.10114	10.9
159.08049	3.6
159.11691	3.7
161.09595	3.8
161.13235	9.4
163.11145	29.4
169.10107	3.7
171.08026	2.6
171.11684	17.7
173.09604	3.4
175.11156	7.3
175.14746	1.8
179.14249	1.8
181.12189	6.6
183.11772	2.0
185.13228	2.8
187.13292	2.6
189.12749	8.4
191.10690	2.5
193.12215	27.8
201.16219	2.1
203.14253	1.8
205.12149	1.9
207.13763	19.9
209.11708	7.0
211.13252	19.3
219.13782	1.6
225.14711	3.7
227.12732	32.0
227.14763	2.1
229.15770	2.4
249.14777	3.7
267.15857	16.0
277.18161	1.7
281.17490	17.7
305.17609	3.7
363.23004	2.1
381.24231	2.9
399.25262	6.1
417.26468	2.4
445.29770	2.2
455.27777	3.0
472.96686	1.8
473.28748	32.6
491.25977	15.3
491.30182	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	491.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.5
56.05021	0.6
56.76288	0.2
57.03438	0.2
58.06356	0.2
58.06613	0.4
58.38657	0.2
59.07376	0.2
60.08155	6.4
67.05495	1.3
69.07051	0.2
70.06579	0.2
71.07365	3.2
71.78551	0.2
79.05490	1.0
81.03402	0.5
81.07053	1.4
83.08617	0.4
85.02843	0.2
86.09691	32.3
91.05457	1.1
93.07020	1.2
95.04963	0.4
95.08587	1.0
98.98447	3.8
99.08067	0.2
104.10728	2.1
105.06992	0.9
107.04929	0.3
107.08541	0.6
109.06500	0.2
109.10139	0.5
111.08031	0.2
117.07016	0.2
119.08583	0.4
121.10129	0.4
123.08018	0.2
123.11709	0.2
124.99982	23.0
125.09594	0.2
129.06966	0.3
131.08542	0.3
133.10114	0.4
135.11636	0.3
143.01010	0.6
147.11707	0.2
155.01079	0.2
163.11086	0.2
171.11739	0.3
184.07312	100.0
185.07611	0.6
207.17413	0.3
221.26328	0.2
229.47728	0.2
264.83682	0.2
310.33444	0.2
337.26120	0.3
422.68350	0.2
473.29404	0.3
491.29578	0.7
491.36221	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
53.23277	1.2
55.01859	3.3
57.03428	6.6
57.03666	1.0
61.02914	10.2
69.03423	17.7
70.06568	2.8
70.96973	2.0
71.04977	3.9
73.02913	5.4
79.05477	2.1
81.03402	7.7
81.07072	2.9
83.04949	1.4
84.04504	1.4
84.08115	1.4
85.02894	100.0
86.09738	1.2
87.04465	2.7
91.03936	7.0
91.05494	1.2
93.07036	3.2
97.02877	28.1
99.04461	5.1
101.02371	1.4
105.07001	7.1
109.02853	9.2
110.03655	2.6
115.03907	1.5
119.04899	1.8
119.08583	1.3
120.08133	2.7
122.05963	1.1
123.04419	25.0
123.08054	1.3
127.03898	28.7
133.06476	3.6
135.04460	1.8
145.04945	50.4
147.04373	5.3
150.05481	1.7
151.07523	56.4
155.02161	1.0
163.03885	5.2
163.05998	15.4
166.05009	4.1
168.06500	2.0
177.05438	1.5
181.05072	1.1
184.06046	2.6
224.06429	1.3
331.08337	1.9
492.28998	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42513	1.7
53.03941	2.7
54.23792	1.6
55.01852	6.1
55.05505	13.5
57.03416	5.2
57.07062	2.7
65.89574	1.8
66.21528	1.7
67.05495	27.0
69.03412	1.9
69.07050	10.6
71.04966	3.0
71.71135	2.0
71.71507	3.0
79.05480	21.6
81.03417	10.9
81.07040	26.6
82.07370	2.8
83.04958	6.6
83.08606	8.1
85.02906	3.0
85.06512	3.6
86.39227	2.3
91.05469	19.2
93.07035	25.3
94.07381	2.6
94.27163	1.9
95.04953	11.7
95.08586	18.4
96.05276	2.1
97.06545	5.5
97.10166	4.3
99.08078	100.0
100.08415	2.6
105.07000	19.8
105.31041	2.0
107.04922	4.6
107.08572	20.4
107.11182	1.9
108.05234	2.3
108.08909	2.8
109.06487	3.3
109.10165	9.9
111.08074	2.5
117.07001	5.0
119.04946	2.2
119.08560	15.5
120.08875	3.4
121.06482	3.2
121.10140	10.9
122.10392	2.1
123.08043	3.3
123.11688	2.2
127.07533	50.5
129.06984	5.6
131.08542	8.6
133.10139	12.0
134.10426	2.9
135.08005	2.4
135.11636	4.0
136.12001	3.6
143.08522	4.1
145.08582	5.6
145.10078	6.1
146.10350	2.7
147.04343	5.4
147.11685	8.1
148.04692	2.9
149.09618	3.1
149.13228	2.3
157.10077	4.2
159.11649	6.1
161.09685	2.9
161.13237	4.9
163.11150	3.6
169.10025	2.2
171.11693	5.7
172.11955	2.8
173.13257	2.2
175.11200	3.2
177.16484	2.0
182.07620	1.8
187.14688	1.9
189.12755	2.5
193.12204	4.3
195.13837	2.0
201.16345	2.4
203.17972	1.9
204.18393	2.3
205.15942	5.7
207.13785	4.1
208.14104	3.0
211.13229	3.5
227.12813	2.3
269.17511	3.0
281.17447	5.9
307.80719	2.3
313.25201	4.6
383.21835	2.4
385.27475	2.7
401.23062	4.1
410.34561	2.3
439.32086	2.8
456.35046	2.5
457.26721	3.3
457.33102	56.7
474.29370	2.4
475.30685	4.1
492.29950	8.5
493.27701	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	493.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91919	0.2
55.05519	0.3
57.03418	0.2
59.03418	0.2
67.05505	0.5
69.03430	0.6
69.07052	0.4
69.43850	1.7
70.44283	0.1
71.04993	0.2
79.05491	0.4
81.03416	0.7
81.07043	1.2
83.04995	0.2
84.12086	0.2
85.02887	0.5
85.06552	0.3
87.60037	0.2
91.05498	0.5
93.07051	0.8
95.08574	0.8
97.02892	0.3
99.09344	0.2
105.07037	0.5
107.04931	0.2
107.08581	0.3
107.97989	0.2
108.02102	0.2
109.02847	0.3
109.06479	0.3
109.10159	0.3
111.08067	0.2
119.04913	0.2
119.08548	0.3
119.91964	0.2
121.06527	0.2
121.10158	0.6
123.11711	0.5
125.09610	0.3
127.03918	0.3
133.10124	0.3
135.04382	0.2
137.05974	0.4
138.24821	0.2
145.02858	0.4
145.10146	0.2
147.04424	0.6
151.11227	0.2
153.01839	0.6
154.02565	0.3
163.03886	1.3
173.13147	0.2
177.05466	0.4
178.02620	0.4
179.07111	0.2
203.03442	0.2
215.07018	0.2
242.05716	2.4
258.05209	2.1
269.04486	0.4
270.05176	9.5
271.05673	0.3
273.03888	1.3
286.04709	1.4
287.05438	3.6
295.88879	0.2
298.04782	0.3
299.05441	1.1
301.03394	1.9
302.04160	2.7
313.03406	0.6
315.04947	34.4
316.05679	4.6
331.08066	100.0
332.08450	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1334
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
51.89830	0.1
51.91913	0.1
55.05513	0.3
57.03442	0.2
58.55784	0.2
63.57516	0.2
67.05506	0.4
69.03426	0.3
69.07063	0.3
69.43729	1.8
70.24200	0.1
71.04996	0.1
79.05487	0.5
81.03398	0.4
81.07042	1.5
85.02893	0.6
85.06517	0.2
91.05486	0.2
93.07035	0.5
95.04964	0.3
95.08595	0.7
97.02917	0.2
105.07027	0.3
107.04981	0.2
109.02850	0.3
109.06553	0.2
109.10162	0.2
121.10149	0.3
123.11678	1.2
127.03911	0.4
133.10138	0.4
134.10507	0.2
135.04430	0.2
137.02245	0.2
137.06000	0.2
145.02882	0.2
145.06555	0.2
147.04425	0.4
151.11215	0.4
153.01840	0.3
154.02643	0.3
163.03882	0.7
169.12234	0.5
177.05475	0.2
178.02632	0.4
182.95799	0.1
187.13304	0.5
217.97301	0.2
235.05954	0.1
241.04880	0.3
242.05765	1.9
258.05188	2.0
269.04611	0.2
270.05194	8.3
273.03918	1.0
273.06580	0.2
285.04050	0.3
286.04706	1.3
287.05417	3.7
299.05475	0.7
301.03403	2.3
302.04129	2.6
313.03561	0.8
315.04932	34.3
316.05603	4.5
331.08051	100.0
332.08435	1.9
356.07666	0.2
493.13174	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.0
55.01862	16.4
55.05503	37.7
55.88540	2.0
57.03437	19.3
59.04996	2.2
67.05493	52.8
69.03414	8.8
69.07065	14.1
70.82952	6.9
71.01324	2.6
71.04992	12.1
73.02885	2.4
73.20271	2.4
76.25337	2.0
79.05482	60.3
81.03406	81.8
81.03880	5.0
81.07043	49.8
81.07484	4.3
83.01330	6.4
83.04961	29.7
83.08609	36.2
85.02884	29.9
85.06518	5.1
91.04920	3.8
91.05466	53.4
91.06030	2.6
93.07028	63.1
95.04955	42.8
95.08588	48.1
97.02880	9.9
97.06521	13.0
97.10145	9.7
99.04424	5.8
103.05455	2.5
105.06999	39.7
105.07629	3.2
107.04932	18.9
107.08565	42.2
109.06500	10.8
109.10133	11.8
111.04427	9.5
111.08062	16.2
113.05994	3.1
113.33464	1.9
117.07002	17.2
119.04931	2.4
119.08560	29.8
121.06508	8.7
121.10133	23.7
123.08046	7.8
123.11662	3.6
125.05952	3.6
125.09628	4.4
129.06981	10.7
131.08568	21.1
133.06442	4.0
133.10117	13.6
135.08057	5.0
135.11664	43.0
137.09561	3.0
137.13232	3.2
142.07809	2.7
143.08543	3.7
145.06564	2.6
145.10109	35.2
147.08026	6.8
147.11652	17.5
149.09621	8.7
153.12755	4.5
155.08530	2.5
157.10118	15.9
159.11636	2.3
163.11160	69.0
164.11549	3.3
165.12811	3.5
173.09604	4.3
175.11172	16.5
181.12193	14.8
185.40900	2.0
189.11266	3.3
190.76016	2.5
191.10667	4.3
193.12215	58.9
201.12477	2.7
209.11697	10.2
211.13271	63.9
227.12747	87.7
247.13312	4.3
249.14894	5.4
267.15897	21.3
271.23730	2.6
283.15192	11.9
379.11926	2.1
383.22122	5.6
385.84250	2.4
401.23273	7.0
429.61850	2.3
447.26819	3.3
475.26968	17.1
475.32904	3.0
487.54291	2.3
493.27884	100.0
494.28241	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	493.279
Annotation	Mucronine B
Peak:m/z	Relative Intensity
50.19897	1.0
51.02369	2.0
53.03938	7.8
53.19083	1.1
55.01865	15.4
55.05237	2.2
55.05500	40.7
57.03428	15.1
57.07052	2.1
58.22113	1.1
59.04985	4.2
65.03914	1.7
67.05495	44.8
69.03422	6.4
69.07050	11.2
71.01330	2.6
71.04672	1.1
71.04987	11.6
71.82339	1.1
73.02915	1.3
79.05025	2.4
79.05481	53.2
81.03402	85.9
81.07043	57.8
83.01337	9.8
83.04967	34.1
83.08606	43.5
85.02891	39.5
85.06526	3.0
85.27706	1.0
89.81335	1.2
91.05463	53.8
91.48807	1.1
93.07027	51.6
95.04955	37.5
95.08590	20.7
97.02867	5.6
97.06518	11.7
97.10145	5.8
98.20674	3.2
99.04403	3.9
103.05453	2.7
105.06327	2.5
105.07014	40.2
107.04939	15.7
107.08580	23.9
109.05806	2.1
109.06483	14.6
109.10133	5.9
111.04414	7.2
111.08063	14.9
113.05978	4.9
113.59866	1.2
115.05411	3.1
117.07021	13.3
119.07726	2.3
119.08562	32.3
121.06466	7.2
121.10133	22.8
123.08045	14.2
123.11671	2.3
125.05983	2.7
125.09599	6.0
125.45569	1.3
128.06276	2.0
129.06967	11.7
130.07753	1.4
131.08546	14.0
133.06425	3.9
133.10110	11.5
135.07996	4.7
135.11671	16.7
137.09590	2.7
142.07767	4.0
145.06398	1.3
145.10103	23.1
147.07005	1.1
147.08034	7.7
147.11658	16.7
149.09616	5.7
153.12718	7.2
155.08424	2.5
157.10086	16.4
163.11154	36.0
165.12724	4.1
167.94916	1.3
173.09581	4.6
175.11150	19.8
181.12184	6.2
189.52161	1.2
191.10648	4.3
193.12212	68.9
194.12645	1.4
207.65498	1.3
209.11714	8.8
211.13263	78.8
227.12704	4.8
249.14922	2.4
267.15863	3.4
283.15396	2.9
383.22333	3.4
401.23288	1.6
450.75247	1.3
475.26733	4.4
493.27866	100.0
494.28079	2.6
518.27545	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2789
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03925	7.7
55.01864	15.0
55.05503	43.3
57.03434	14.7
57.07076	2.8
58.30616	1.8
59.04988	4.2
65.03922	2.1
67.05493	49.1
67.14722	1.6
69.03410	7.6
69.07068	11.3
70.84179	5.1
71.04986	13.7
79.05482	63.4
81.03407	90.1
81.07045	54.4
83.01330	12.7
83.04968	31.9
83.08608	38.1
85.02895	37.1
85.06528	2.4
91.05464	59.2
91.06038	3.1
93.07029	56.7
95.04955	37.9
95.08597	19.4
97.02871	6.8
97.06513	12.0
97.10147	8.6
99.04449	2.6
99.08055	2.2
103.05476	2.5
105.07021	37.7
107.04947	16.3
107.08577	23.3
109.06492	12.9
109.10111	9.0
111.04412	7.2
111.08070	19.1
113.05989	2.7
115.05368	2.2
117.07021	14.2
119.04856	1.6
119.08566	32.9
121.06487	5.8
121.10130	20.0
123.08038	12.4
123.11678	1.9
125.05983	2.7
125.09644	3.5
129.07014	14.1
130.07813	3.1
131.08537	19.9
133.06464	3.5
133.10117	13.2
135.08015	3.8
135.11684	16.7
137.09576	3.5
142.07751	2.0
143.08502	3.6
145.10109	27.7
147.08000	6.6
147.11678	15.1
149.09583	6.2
152.06964	1.8
152.08415	1.8
153.12724	7.8
155.08505	3.5
157.10112	11.8
163.11145	37.0
165.12729	3.7
173.09636	5.0
175.11182	14.9
181.12222	7.6
191.10622	4.5
193.12219	71.7
209.11742	9.2
211.13275	73.3
227.12752	8.5
259.96738	1.7
267.15814	4.4
283.15457	4.2
295.60269	2.1
297.74466	1.7
383.22220	4.0
401.23160	3.3
475.26810	3.2
476.27789	2.2
493.27863	100.0
494.27725	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2788
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03922	7.1
55.01862	17.0
55.05239	2.1
55.05500	40.9
57.03425	16.8
57.07056	2.0
59.04985	3.6
65.03927	3.3
67.05492	50.4
69.03408	9.5
69.07053	12.9
71.04974	11.9
71.15186	3.7
73.75666	1.8
79.05479	56.3
81.03406	80.9
81.07042	54.4
81.42856	1.9
83.01318	8.5
83.04962	30.5
83.08603	44.7
85.02895	39.3
85.06519	4.2
88.96815	1.8
91.04919	3.1
91.05467	48.3
93.07029	55.2
95.04333	2.6
95.04949	53.5
95.08597	23.3
97.02879	5.3
97.06512	15.6
97.10160	7.6
99.04456	3.7
99.08058	2.1
105.07011	37.0
107.04940	18.4
107.08578	27.2
109.02857	2.3
109.06514	12.2
109.10148	6.1
111.04414	9.5
111.08054	14.2
115.05405	3.0
117.06997	15.3
119.08563	37.3
121.06480	6.9
121.10109	24.6
123.08052	11.1
123.11681	4.4
125.09621	5.3
129.06995	15.4
130.07724	3.5
131.08533	17.5
133.06471	2.0
133.10121	13.7
135.08018	4.8
135.11667	20.4
137.05975	1.7
137.09642	3.3
139.07521	3.9
142.07794	2.8
145.06467	3.3
145.10104	24.1
147.08028	5.7
147.11676	19.4
149.09583	5.9
153.12741	4.4
154.49635	2.0
155.08504	2.2
157.10107	12.4
159.11624	1.8
161.09653	2.2
163.11166	36.9
165.12752	4.7
173.09601	3.8
175.11180	19.0
181.12209	4.5
191.10629	8.7
193.12212	77.0
209.11649	12.5
211.11215	4.3
211.13255	82.5
227.12766	9.1
233.11319	1.8
249.14706	2.8
256.08981	1.9
267.15866	5.7
283.15372	5.8
365.21320	1.9
368.61948	2.3
383.22089	5.8
401.23285	3.2
475.26740	6.5
493.27893	100.0
494.28574	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	493.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	12.9
55.01853	15.3
55.05268	4.6
55.05504	55.8
57.03416	17.2
57.07057	3.9
58.25481	3.5
59.04978	5.9
62.06076	3.6
62.79682	3.5
65.03913	5.7
67.05499	71.8
69.03415	6.5
69.07052	24.7
69.91945	8.3
69.92367	16.9
70.59620	3.5
71.01328	6.1
71.04967	11.2
71.08622	3.8
79.05482	87.5
81.02937	6.0
81.03403	66.5
81.07047	82.2
83.01335	9.9
83.04973	42.8
83.08608	40.1
85.02894	23.5
85.06541	5.0
86.93760	3.8
91.05472	100.0
93.07034	94.4
95.04950	46.9
95.08592	36.5
97.02868	8.6
97.06496	15.0
97.10152	11.6
99.04438	6.4
99.08122	5.4
103.05452	5.4
105.07013	55.3
106.07355	4.4
107.04938	35.8
107.08574	34.6
109.06523	18.1
109.10122	16.4
111.04417	9.5
111.08058	17.1
115.05436	4.9
117.07002	17.1
119.08575	46.0
121.06479	13.5
121.10127	34.6
123.08035	12.6
125.05994	6.1
125.09619	10.2
129.06985	22.7
131.08566	20.1
133.06448	6.9
133.10112	33.7
135.08072	7.2
135.11665	30.9
137.09647	4.5
143.08517	7.4
145.06461	4.4
145.10104	28.6
146.46809	3.9
147.08049	4.6
147.11659	24.1
149.09592	8.1
149.13206	4.6
153.12648	9.1
154.73059	4.5
157.10088	23.8
159.11598	4.4
163.11159	49.5
165.12708	6.5
175.11174	24.4
179.14328	4.4
181.12202	11.5
191.10669	10.5
193.12230	53.7
209.11699	13.5
211.13252	31.2
227.12761	22.7
267.15866	30.0
278.21902	10.2
283.15295	40.7
352.25510	13.5
432.22028	10.0
461.28711	4.4
475.26816	47.6
493.27740	69.4
494.28711	4.8
510.36200	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	493.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.4
55.01831	1.9
55.05504	15.6
57.03440	8.3
57.06794	2.8
57.07067	47.3
67.05136	2.6
67.05495	51.8
69.03429	1.7
69.07059	22.4
71.01340	3.5
71.04989	4.9
71.08618	32.5
71.71055	1.6
73.55756	1.5
79.05480	35.3
81.03414	5.2
81.07044	36.3
83.04974	5.5
83.08598	16.5
85.06528	2.5
85.10168	19.3
88.00650	1.5
91.05459	14.8
93.07027	41.2
95.04961	5.0
95.08594	31.3
97.06528	9.1
97.10155	17.5
99.08051	2.0
105.07011	3.8
107.08574	27.0
107.09245	2.7
109.06495	2.0
109.10126	18.5
111.11685	3.9
117.07011	3.5
119.08588	4.5
121.10131	5.3
122.85222	1.5
123.11693	6.4
133.10097	3.0
135.11674	49.4
137.13300	3.4
145.10103	6.7
153.12738	3.0
157.96362	1.3
163.11145	8.3
181.12221	12.1
239.23642	13.1
324.31830	1.6
439.09308	1.5
493.38834	100.0
494.39151	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	494.3233
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05493	2.5
56.05027	1.1
58.06593	1.5
59.63885	0.6
60.08157	16.0
61.84649	0.9
67.05499	3.0
69.02856	0.6
69.07054	3.2
70.76403	1.3
71.07357	6.1
79.05482	1.5
81.07050	3.1
83.08615	1.6
86.09695	48.7
86.54634	0.6
91.05471	1.4
93.07034	1.8
95.08572	2.1
97.06548	0.6
97.10161	0.7
98.98493	3.4
104.10729	100.0
105.07055	0.9
105.11031	0.8
107.08613	0.6
107.55585	0.6
109.10182	0.8
121.10141	1.2
123.11597	0.7
124.99988	28.4
149.02335	0.9
184.07321	94.3
193.04933	1.3
247.32422	0.6
258.11060	1.0
311.25818	1.5
476.31216	9.3
494.32416	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	494.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26238	0.2
54.54527	0.2
55.05495	0.8
56.05019	0.7
57.03408	0.4
57.07064	0.2
58.06601	0.5
59.07387	0.3
60.08152	6.8
67.05488	0.9
69.07053	0.7
69.67445	1.8
70.06567	0.3
71.07357	2.7
71.08632	0.2
79.05480	0.8
79.13422	0.2
81.03413	0.6
81.07041	1.0
83.08585	0.4
85.02872	0.3
86.09690	31.6
88.07587	0.2
91.05493	0.3
91.87910	0.2
93.07035	0.6
95.08588	0.7
97.10126	0.3
98.21388	0.3
98.49516	0.2
98.98452	2.6
104.10719	3.3
105.06990	0.4
107.08559	0.5
119.08528	0.2
121.10139	0.4
124.99979	21.8
143.01050	0.2
149.02299	0.8
184.07307	100.0
185.07675	0.8
193.04926	0.6
237.07594	0.8
284.29327	0.7
311.25696	0.3
345.76804	0.2
369.96371	0.2
433.29752	0.2
476.31152	0.9
494.33527	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28902	0.7
53.03901	1.6
55.01831	1.2
55.05495	3.5
56.05024	4.7
57.03378	2.7
58.06564	0.7
60.04515	87.0
60.04803	3.8
60.04930	2.4
60.32565	0.7
61.02878	1.8
63.20390	0.8
66.93430	0.8
67.05491	10.3
68.04996	1.2
69.03415	8.8
69.07017	3.1
70.06529	1.7
71.04942	1.9
71.71086	1.2
72.04491	3.7
73.02900	1.2
74.06014	2.8
75.48148	0.8
79.05476	5.4
80.04936	1.1
81.03410	4.8
81.07043	11.3
82.06547	1.4
83.08563	2.4
84.04449	1.6
85.02893	20.1
86.06008	3.0
87.04417	1.1
90.05508	0.9
90.30810	0.7
91.05450	5.4
93.07011	5.8
94.06512	0.9
95.04893	1.8
95.08585	8.9
96.08067	1.0
97.02879	7.1
97.06449	1.6
97.10107	1.4
98.05959	1.6
99.04430	1.2
102.05458	2.3
104.07033	1.1
105.06957	3.1
107.04890	0.9
107.08594	4.2
109.02831	2.9
109.06437	0.9
109.10085	3.3
117.06946	1.2
119.08572	1.8
120.08099	0.9
121.10146	1.2
123.11626	1.4
127.03827	3.2
131.08499	2.1
133.10059	2.0
135.11607	2.4
137.05814	0.8
137.13217	0.9
145.04906	2.5
145.10071	1.5
147.04355	1.5
149.13208	1.0
163.03815	1.4
177.05385	1.6
206.10173	1.5
224.11240	2.9
254.24736	1.3
260.23807	2.6
272.25815	1.0
274.57449	0.7
278.24673	6.9
296.25827	8.0
314.26810	13.9
332.27893	100.0
333.28049	1.6
356.28119	1.3
374.28976	2.4
429.61600	0.8
440.30359	1.3
441.85214	0.8
458.31076	1.5
476.32080	3.4
494.33182	46.2
495.12430	1.1
495.33521	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	2.3
55.01850	1.1
55.05509	4.0
56.05021	3.7
57.03434	3.5
57.07041	0.7
57.52030	0.6
58.06572	0.7
60.04519	79.7
60.04951	2.3
61.02876	3.0
62.06046	0.9
65.03899	1.1
67.05499	12.5
69.03423	10.3
69.07056	5.3
70.00552	3.2
70.00970	1.4
70.06558	1.6
71.04974	3.1
72.04468	2.4
73.02872	1.7
74.06073	3.5
79.05485	5.7
80.04980	1.5
81.03407	5.1
81.07050	13.5
82.06552	1.6
83.04926	1.2
84.04436	1.9
84.08081	0.8
85.02897	24.2
85.06499	1.2
86.06019	1.6
87.00777	1.6
87.04414	2.1
90.05521	0.9
91.03929	0.8
91.05462	3.7
93.07032	6.2
94.06519	1.9
95.04972	1.4
95.08594	14.2
96.08107	1.6
97.02872	8.4
97.06490	1.2
97.10133	1.9
98.05977	0.8
98.20723	0.9
99.04398	2.7
102.05487	2.5
104.07078	1.5
105.01785	1.0
105.07022	3.5
107.08592	4.4
109.02846	3.4
109.06431	0.9
109.10150	8.2
111.04333	1.1
111.11668	1.2
112.07532	1.1
117.07022	1.1
119.08498	2.2
120.08051	1.5
121.10133	3.6
123.08018	1.5
123.11647	3.0
125.09629	0.9
127.03902	5.3
131.08496	1.6
133.10129	3.4
135.11647	3.5
137.05922	1.0
137.13216	1.3
145.04892	2.6
145.10039	1.4
149.13104	1.2
157.10110	0.9
159.02859	0.7
159.11626	0.9
163.03862	3.0
164.04181	1.1
175.14775	1.4
177.16345	1.5
188.09047	0.9
193.15919	3.6
206.10167	1.0
211.16951	3.4
224.11223	3.1
229.21571	3.3
246.11220	8.6
266.24649	1.1
272.25693	1.9
278.24792	6.1
296.25778	6.8
297.16833	1.2
314.26849	12.3
322.51331	0.8
332.27908	100.0
333.27997	1.2
374.28952	2.8
440.29944	1.2
458.30875	1.3
476.32120	5.0
494.33200	62.6
495.33322	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71977	1.4
53.03922	4.2
55.01859	2.8
57.03419	1.9
67.05483	2.5
69.03432	9.9
69.87880	2.6
69.88287	5.8
76.95966	1.3
79.05488	5.8
81.03417	3.2
85.02895	6.2
91.05486	13.5
93.07037	12.2
95.04959	7.3
95.08613	2.6
97.02882	3.8
97.06525	2.5
98.21489	1.6
99.04469	2.0
99.72709	1.3
103.05464	3.1
105.07027	6.6
107.04947	5.8
109.02851	2.4
109.06496	1.9
111.08038	1.7
112.25781	1.2
119.04922	2.7
121.06493	39.3
122.06836	1.6
123.04401	3.2
123.08048	4.0
127.03882	3.9
131.04907	16.7
133.06456	11.0
137.05858	2.9
139.07513	2.7
147.04372	2.3
147.08015	1.4
149.05962	100.0
150.06375	2.0
151.07578	2.5
165.05524	2.4
167.07022	52.3
237.02634	1.3
311.11206	4.4
495.18552	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51246	3.8
53.03936	6.4
55.05501	22.6
57.03419	9.4
57.07055	4.6
60.04514	100.0
61.02905	8.0
61.04850	5.1
67.05499	42.8
69.03422	27.4
69.07050	20.6
69.46976	45.9
71.04981	12.6
79.05485	26.0
81.03403	15.4
81.07042	67.1
83.08606	17.4
85.02892	53.0
85.06536	10.9
87.00807	7.0
91.05462	13.0
91.94228	4.0
93.07019	20.4
94.06551	4.1
95.04945	11.1
95.08579	49.1
97.02868	15.3
97.06515	7.1
97.10134	12.4
99.04429	7.4
101.62663	4.7
105.01853	7.7
105.07013	13.7
107.04922	7.5
107.08581	12.1
109.02850	12.5
109.06507	7.2
109.10150	28.9
111.11687	6.2
117.06982	4.8
119.08552	8.9
121.06476	5.8
121.10140	10.2
123.11675	17.5
127.03896	26.0
131.08575	9.1
133.10127	6.7
137.05978	9.5
137.13242	5.2
145.04913	5.4
145.10103	8.3
147.04323	8.7
157.10048	5.0
159.11649	5.0
161.09567	7.9
161.13280	6.1
163.03885	9.5
165.09219	7.5
167.03355	7.7
171.11638	4.8
177.05498	5.3
191.14272	4.8
211.20549	9.2
229.21565	28.0
279.24927	5.2
297.26089	6.4
314.26797	9.5
315.27170	10.2
317.10120	4.8
323.18515	6.3
332.28021	24.4
333.28207	80.0
382.19165	4.6
495.26419	5.2
495.33627	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.0
55.05505	23.9
57.03430	14.6
59.04977	2.0
65.03925	2.6
67.05135	1.8
67.05495	36.0
67.83868	1.0
69.03429	6.2
69.07061	8.2
69.48539	4.8
69.48967	5.2
70.38574	0.8
71.04984	7.1
72.12859	0.8
76.21081	1.1
78.62597	0.8
79.05482	37.0
81.03406	93.6
81.07045	37.7
83.04965	19.5
83.08611	31.0
83.09054	0.8
84.97673	0.8
85.02892	46.0
85.06544	2.4
91.05466	45.9
92.05788	1.2
93.07034	26.8
95.04953	37.8
95.08593	16.0
97.02866	3.8
97.06524	6.3
97.10144	4.7
99.08080	1.9
103.05457	1.4
105.07015	33.7
107.04948	9.1
107.08575	9.7
108.59206	1.0
109.06513	6.2
109.10133	5.7
111.04427	5.0
111.08065	18.0
113.05995	4.0
115.05484	2.1
117.06994	3.0
119.04900	1.3
119.08564	29.2
119.09414	1.7
121.06483	2.3
121.10118	16.2
123.08064	3.9
123.11691	2.5
125.06126	1.0
125.09601	2.3
128.06204	1.3
129.06976	15.1
129.94557	1.0
131.08556	14.7
133.06488	4.7
133.10115	12.5
135.08044	1.8
135.11668	1.3
137.09628	3.7
142.07768	5.2
145.10060	2.1
147.08038	3.2
147.11678	20.0
149.09598	7.3
157.10107	18.6
165.12758	3.6
175.11172	23.6
193.10818	1.3
193.12221	82.5
211.13266	100.0
212.13664	1.6
212.61795	1.0
267.15884	7.8
285.17001	2.6
385.23477	1.9
392.64575	1.0
433.25400	1.2
459.27509	2.2
477.28589	3.1
495.29489	72.0
496.29538	2.2
518.24078	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61406	2.4
53.03934	6.7
55.01868	13.6
55.05503	25.1
56.52966	3.0
57.03433	25.1
57.07064	6.2
61.02921	32.0
64.30656	2.8
65.03927	3.0
67.05141	4.6
67.05495	61.6
69.03426	27.9
69.07053	21.8
69.63367	21.7
71.01327	7.4
71.04972	7.6
73.02909	19.6
79.05481	54.0
81.03407	23.2
81.07046	62.5
83.04964	11.1
83.08613	13.7
85.02901	41.5
85.06543	4.7
91.03956	17.3
91.05464	81.1
93.07025	63.7
93.36464	2.8
95.04946	22.2
95.08592	41.1
96.37726	2.7
97.02880	25.7
97.06509	6.7
97.10153	7.1
99.04457	4.9
103.03900	4.9
103.05471	4.7
105.04514	2.8
105.07019	64.8
107.04939	10.0
107.08580	36.2
109.02859	5.8
109.06516	8.2
109.10130	18.9
111.04444	6.6
111.08052	4.4
115.05461	6.0
117.06998	37.8
119.04987	4.0
119.08574	54.8
121.06492	9.0
121.10120	26.6
123.08049	5.0
123.11712	5.3
125.09612	4.0
127.03909	8.7
128.06204	9.0
129.05470	3.1
129.06993	28.9
131.08549	51.3
131.09467	4.5
132.73109	2.6
133.06479	4.7
133.10112	42.9
135.08054	11.0
135.11711	18.6
137.06015	3.6
137.09612	6.4
139.07520	2.9
141.06934	14.5
142.07742	5.3
143.08545	30.6
144.09163	2.6
145.04909	5.1
145.06488	11.0
145.10092	40.6
147.08057	12.0
147.11682	20.6
149.09596	6.0
149.13232	10.2
153.07042	3.5
154.06512	2.8
155.08504	17.9
157.06433	3.6
157.10104	23.7
158.07074	2.9
159.08047	10.9
159.11667	26.3
161.09650	7.5
161.13217	13.9
163.11174	8.4
163.14786	3.9
165.06990	3.1
166.07922	3.3
167.08560	8.6
169.06502	3.0
169.10060	15.8
171.08046	9.3
171.11635	20.0
173.09621	11.1
173.13217	17.2
175.11235	8.2
175.14862	6.2
179.08600	5.0
181.06528	2.9
181.10144	6.6
183.07971	5.6
183.11644	18.4
185.09622	8.3
185.13219	17.8
187.11154	9.8
187.14801	6.7
193.12285	2.7
195.08081	3.9
195.11761	7.1
197.09613	5.0
197.13272	8.8
199.11189	6.0
199.14793	9.8
201.12721	7.2
203.14178	2.6
207.11662	2.9
209.13342	6.5
211.11261	3.9
211.13104	3.7
211.14864	6.4
213.12723	4.1
213.16422	3.8
215.14285	4.9
223.11189	3.6
225.12837	3.5
237.12750	4.2
239.14432	3.0
241.19540	8.6
257.19098	6.2
259.20523	14.4
267.15948	4.9
269.19150	3.5
271.20572	7.9
273.22092	4.8
275.19946	4.1
283.20499	6.1
285.10046	4.6
299.20102	6.0
301.21674	10.2
313.21661	6.4
315.23126	6.2
321.22278	3.9
325.21637	11.6
327.23669	3.6
333.24203	25.9
337.21570	4.2
339.23236	7.4
343.22888	8.2
345.24091	5.7
349.21674	10.1
357.24200	3.9
361.23743	9.9
363.25372	7.3
367.22531	14.8
375.25439	9.2
385.23801	10.0
387.25238	10.3
399.25598	3.5
403.24704	14.6
405.26181	7.4
417.26257	16.7
429.26468	15.4
441.26273	37.9
442.25720	3.5
459.27408	36.3
472.27359	2.9
477.28421	38.4
495.29480	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	10.5
55.01856	14.2
55.05503	35.7
57.03157	3.8
57.03427	44.2
59.76920	3.0
61.02918	61.0
62.75580	3.4
65.03938	4.4
67.05497	70.7
69.03419	44.5
69.07057	32.0
69.71967	3.2
71.01334	7.8
71.04981	7.4
71.48157	7.9
73.02902	37.5
78.86066	3.6
79.05482	81.3
81.03406	36.0
81.07043	71.5
83.04954	14.6
83.08594	11.2
85.02894	64.9
85.06509	7.3
87.04499	3.7
89.27566	3.6
91.03947	39.3
91.04918	5.7
91.05466	90.0
91.42938	3.2
93.07027	87.2
95.04958	16.3
95.08590	53.6
97.02882	52.1
97.06519	8.1
97.10146	6.5
99.04428	11.1
101.02365	6.8
103.03915	10.1
103.05436	4.0
105.07016	100.0
105.07718	6.5
107.04936	12.2
107.08586	49.3
109.02885	6.0
109.06502	10.7
109.10149	24.5
111.04393	6.3
111.08051	8.2
115.03905	7.2
115.05427	3.8
117.07000	51.8
119.08559	78.1
121.06480	8.9
121.10133	38.4
123.08057	6.6
125.09586	5.9
127.03903	17.8
128.06221	13.8
129.05463	10.5
129.06953	35.2
130.07791	5.4
131.04965	3.1
131.08551	66.9
133.06485	9.6
133.10103	52.7
135.08025	7.6
135.11673	32.9
137.05896	5.1
138.69775	3.2
141.06955	14.8
143.08559	30.7
145.04962	5.9
145.06430	7.8
145.10110	52.3
147.08017	9.7
147.11667	34.2
149.09605	6.4
149.13274	21.8
153.06950	5.0
155.08542	15.3
156.09364	3.7
157.10094	33.6
159.08015	9.4
159.11690	41.4
161.09644	8.8
161.13245	23.9
163.11130	10.2
163.14833	7.3
167.08464	8.2
169.08830	3.1
169.10065	22.2
171.08006	7.7
171.11664	32.5
173.09613	4.4
173.13274	25.5
175.11150	11.3
175.14781	13.7
179.08640	4.8
181.10110	8.0
183.08205	3.9
183.11655	15.7
185.09604	6.1
185.13237	23.6
187.11153	9.9
187.14812	9.1
189.12801	6.4
191.14264	4.2
195.11678	12.5
197.09625	4.9
197.13228	13.4
199.11185	7.8
199.14841	13.0
201.12755	9.5
209.09541	3.6
209.13242	8.5
211.14798	8.1
213.12772	5.2
215.14247	5.6
223.11128	5.1
223.14705	5.3
225.12680	4.6
227.14180	4.9
229.12003	4.4
239.14270	3.6
239.18069	4.4
241.19453	13.9
257.18964	7.3
259.20496	29.7
271.20520	9.5
272.18225	4.5
275.20111	7.3
277.21539	7.6
283.20392	8.1
289.21555	4.8
295.20642	4.9
301.21585	16.6
313.21548	11.9
315.23157	5.1
321.21973	5.1
325.21597	8.9
331.22607	9.3
333.20465	4.8
333.24194	46.1
339.22931	7.2
343.22516	7.7
349.21619	13.1
357.24268	6.4
361.23810	4.6
363.25269	6.7
367.22708	21.6
375.25269	16.4
385.23743	17.5
387.25336	9.6
403.24564	9.9
417.26343	8.3
423.25342	4.8
429.26398	7.6
441.26215	33.8
459.27524	26.5
459.33310	5.9
477.28458	31.2
495.29633	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	11.0
54.91202	2.8
55.01859	3.6
55.05504	32.0
57.03431	24.8
58.19764	2.8
61.02913	13.0
65.03904	3.8
67.05495	59.8
69.03410	20.1
69.07054	20.0
69.55100	4.7
69.55496	25.1
71.01355	3.6
71.04977	11.3
73.02902	11.6
79.05485	59.6
81.03403	71.1
81.07043	65.6
83.04957	23.9
83.08602	29.3
85.02889	52.8
85.06538	4.8
91.03945	8.3
91.05465	71.2
92.54454	2.9
93.07030	48.7
95.04948	37.1
95.08582	31.1
97.02849	18.3
97.06527	9.7
97.10168	9.0
99.04471	3.7
103.03941	4.6
103.05444	3.5
105.07005	59.3
107.04944	17.1
107.08569	35.1
109.02902	4.4
109.06506	11.2
109.10145	15.8
111.04413	8.2
111.08054	16.4
113.05956	5.1
115.05457	8.0
116.06196	3.3
117.07002	23.0
119.08562	44.9
121.06493	9.3
121.10114	22.2
123.08056	7.0
123.11712	3.5
124.48680	2.7
127.03967	3.0
128.06204	7.7
129.05469	4.2
129.06984	29.3
131.08549	45.3
133.06477	10.2
133.10078	30.2
135.08005	7.7
135.11671	10.6
137.09541	3.9
141.06961	5.6
142.07726	3.9
143.08566	15.0
145.06427	7.4
145.10095	31.2
147.08032	8.2
147.11665	25.3
149.09610	8.7
149.13220	5.3
151.78522	3.0
155.08575	9.6
157.06505	4.2
157.10112	29.4
159.08022	6.9
159.11694	11.1
161.09608	4.2
161.13255	6.6
163.11156	4.7
167.08543	5.5
169.10138	6.6
171.08067	2.9
171.11696	11.4
173.09615	4.3
173.13237	10.5
175.11172	22.5
175.14774	3.9
181.10191	5.9
181.12137	3.7
183.11681	11.7
185.13165	6.9
187.14792	5.6
189.12712	5.7
193.12199	64.5
195.11691	4.7
197.13216	8.2
199.11180	4.1
199.14767	6.1
201.12723	5.1
211.11345	4.0
211.13249	69.7
211.15129	4.6
213.12839	3.7
223.14700	3.1
241.19519	3.1
259.20676	5.7
267.15967	12.9
271.20480	3.4
277.76910	2.9
283.20209	3.1
285.16992	3.2
285.22168	3.9
297.22302	3.0
301.21356	3.2
313.21616	4.5
318.77869	2.8
325.21521	4.1
333.24350	10.6
337.21564	3.4
343.22781	3.5
357.24103	3.3
361.23697	4.4
367.22568	14.6
375.25262	9.7
385.23737	8.2
387.25134	4.5
403.24792	7.2
417.26404	7.0
429.26340	5.6
441.26352	17.9
459.27499	17.2
477.28262	24.3
495.13428	3.3
495.29446	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.1
53.03939	5.5
55.01862	3.8
55.05500	21.6
55.24378	1.0
57.03433	16.3
58.13700	0.9
59.05007	1.7
65.03928	3.8
67.05497	37.2
69.01832	1.1
69.03423	7.4
69.07061	10.2
70.86459	4.0
71.01357	1.3
71.04992	8.8
79.05482	37.0
81.03406	91.8
81.07043	46.2
82.03728	1.1
83.04969	19.4
83.08607	30.2
85.02378	2.4
85.02892	45.8
85.06540	3.8
91.05466	48.5
93.07033	30.2
95.04958	38.0
95.05571	1.4
95.08594	17.2
97.02887	5.2
97.06525	7.5
97.10149	7.7
99.08044	1.0
100.11254	1.7
103.05472	1.3
105.07019	36.4
107.04959	8.8
107.08590	13.1
109.02882	1.2
109.06518	9.1
109.10137	6.7
111.04428	5.4
111.08065	16.0
113.05988	3.6
115.05448	2.2
117.07002	3.9
119.04894	2.2
119.08565	27.5
121.06493	4.1
121.10136	13.1
123.08056	4.4
123.11715	2.7
125.09608	3.7
129.06984	15.4
131.04915	1.1
131.08542	18.1
133.06470	3.7
133.10120	15.1
135.08058	1.5
135.11763	2.0
137.05930	1.3
137.09579	2.9
142.07788	3.6
145.10080	3.1
147.07997	5.2
147.11671	19.8
149.09602	9.3
151.11208	2.1
157.10106	18.3
163.11162	1.3
165.12794	5.5
175.11166	22.2
185.13232	1.1
193.12219	82.3
194.12587	2.4
211.13263	100.0
212.13576	1.3
249.14973	1.3
267.15823	6.5
285.17007	3.2
311.11554	1.1
367.22769	1.5
385.23520	2.2
446.86441	1.2
459.27615	2.2
477.28387	4.9
495.29489	65.8
496.29816	3.8
524.26404	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27922	2.5
54.80405	2.7
57.03411	12.9
69.03416	32.1
71.37711	3.8
71.38060	4.3
75.04456	6.7
79.05476	6.8
81.03390	4.9
81.07021	9.8
85.02895	26.7
87.04449	24.1
91.05449	10.1
91.50789	2.8
91.64182	3.3
93.07027	70.6
95.04943	9.1
95.08614	10.2
97.02873	33.5
100.28636	3.7
102.87549	2.9
105.06987	9.2
107.08596	4.2
109.02927	3.0
111.08035	10.4
115.03907	31.4
121.10124	100.0
123.11631	3.0
127.03903	6.5
133.04919	27.0
139.11150	27.3
145.04913	7.2
149.09608	15.2
163.06047	4.2
163.11104	3.1
167.10658	73.9
191.10696	6.8
195.25763	2.8
236.43304	3.0
258.71240	3.4
281.13651	4.9
311.15015	3.2
322.34775	2.9
500.83664	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.3
55.05504	4.7
57.03428	14.6
61.02905	1.3
67.05492	10.1
69.03422	26.9
69.07053	7.4
71.04984	5.8
71.05856	3.1
71.06196	1.6
79.05492	9.2
81.03428	2.3
81.07053	16.4
83.04975	2.4
83.08611	4.2
85.02905	19.2
85.06532	13.4
87.04462	14.3
91.05465	3.2
93.07037	19.2
95.04993	2.2
95.08604	31.5
97.02889	18.8
97.06524	67.8
107.08591	19.8
109.10149	5.5
111.08083	3.1
113.09573	1.3
115.03926	17.6
121.10135	9.4
123.11701	8.0
127.03913	2.4
133.04976	15.2
145.05003	1.8
149.13242	59.1
150.07588	4.8
167.14305	49.7
169.05103	1.7
185.15358	100.0
186.15704	2.3
272.35287	1.3
297.54565	1.2
331.08334	1.9
408.56918	1.8
497.19843	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56630	0.1
55.05493	0.2
56.05021	0.5
57.03434	0.3
57.07069	0.8
58.06618	0.5
59.07382	0.1
60.08154	6.4
64.13098	0.1
67.05495	0.3
69.07047	0.2
71.01587	0.1
71.07361	2.7
71.08626	0.6
71.15652	0.2
71.15981	0.2
72.94643	0.1
79.05471	0.2
80.97385	0.1
81.07042	0.3
83.08606	0.2
85.10158	0.2
86.09691	29.8
87.09997	0.3
95.08602	0.4
98.98451	3.1
99.21243	0.1
104.10727	3.8
109.10145	0.3
124.99982	21.3
135.54019	0.1
143.01013	0.3
184.07312	100.0
185.07693	1.0
189.16412	0.2
191.40555	0.1
257.48013	0.1
258.11105	0.2
283.44257	0.1
284.91574	0.1
313.27231	0.2
371.93692	0.1
478.32718	1.1
496.33698	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3392
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.60606	0.1
55.05498	0.5
56.05031	1.3
57.03416	0.4
57.07066	3.0
58.06576	1.4
59.07385	0.4
60.08155	17.2
63.64922	0.1
67.05489	0.8
69.07040	0.7
70.06573	0.3
70.41224	0.7
71.07362	6.4
71.08620	2.3
79.90322	0.1
81.07054	0.8
83.08598	0.5
85.10176	1.2
86.09694	49.9
87.10037	0.2
95.08602	1.1
97.10147	0.3
98.98449	3.4
99.11704	0.2
104.10727	100.0
105.11053	0.7
109.10126	0.6
121.17579	0.2
124.99985	28.6
143.01021	0.4
163.01508	0.6
181.02596	0.3
184.07317	98.6
185.07674	0.8
191.83603	0.1
258.11075	1.1
290.30731	0.1
313.27295	1.9
419.25290	0.4
478.32877	8.7
479.32916	0.3
496.33929	27.2
497.34372	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89839	0.5
51.91271	0.4
53.03935	0.7
54.61327	0.4
55.01857	0.5
55.05488	1.8
57.03409	0.7
65.03915	1.4
67.05489	3.4
68.99781	0.6
69.03403	1.3
69.07037	1.5
71.04972	1.5
71.70850	0.7
79.05460	1.9
79.98882	0.4
81.03401	3.3
81.07046	3.5
82.07343	0.5
83.04961	1.0
83.08621	0.9
85.02885	2.0
85.06541	0.6
87.68064	0.5
91.05462	2.9
91.72845	0.5
93.03384	0.6
93.07038	4.1
95.04938	1.9
95.08601	2.2
97.02876	0.6
97.06527	1.0
105.07014	2.0
106.07376	0.6
107.04896	0.7
107.08571	2.4
109.02836	2.1
109.06500	1.1
109.10120	1.7
111.04418	1.6
111.08066	0.5
117.06956	0.5
119.08544	1.6
121.10108	1.4
122.82826	0.4
123.08005	0.4
125.78286	0.5
127.03851	2.3
129.06975	0.7
131.08513	1.1
133.06505	0.4
133.10103	1.7
135.11606	0.9
137.02339	3.1
137.09605	0.5
139.03868	0.7
143.08563	0.5
145.10123	0.6
147.04359	1.0
147.11658	1.1
149.05974	0.4
149.09615	0.8
149.13268	0.4
151.03830	0.5
153.01801	8.4
153.09088	0.4
155.03387	0.8
157.10074	1.1
159.08008	0.4
159.11819	0.5
163.07527	0.5
163.11136	0.5
165.09100	0.5
169.06430	0.5
171.11665	0.6
181.04877	0.5
183.02844	1.2
193.12238	1.4
194.12576	0.5
209.07571	0.4
211.13287	1.0
213.05475	1.6
216.04106	2.7
228.04135	0.7
240.04506	0.4
241.05002	3.0
242.05708	2.7
243.06512	0.9
245.04529	0.5
253.04851	0.6
255.06546	1.2
256.07080	0.8
257.04428	4.8
258.05234	3.0
259.06091	0.6
269.04379	1.3
270.05118	4.3
271.05869	1.2
272.06720	1.0
273.03958	1.5
273.07343	0.9
283.05930	1.8
284.06720	1.1
285.04010	0.6
285.07532	0.5
286.04703	2.5
286.08133	1.0
287.05466	7.0
299.05502	3.8
300.06247	1.2
301.03519	1.0
301.07007	1.8
302.04254	1.6
311.05533	0.9
313.03516	1.0
313.06934	5.3
314.04114	0.7
314.07788	13.0
315.04941	12.5
315.08603	16.6
316.05698	1.9
329.06497	2.0
331.04410	0.8
331.08014	3.6
335.05173	0.7
363.04785	0.8
364.05875	2.8
379.04428	1.4
405.06006	0.6
408.04599	4.4
411.07278	0.5
417.05838	0.5
419.07602	0.7
421.05927	0.6
433.05344	0.6
436.03967	2.3
439.06860	0.5
449.05139	0.6
451.06482	19.5
456.33090	0.5
465.08014	2.2
479.09857	1.0
481.08206	0.6
496.29785	0.7
497.10699	100.0
498.11057	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	497.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67289	1.7
79.05446	0.3
81.07026	0.4
93.07015	0.5
128.60159	0.2
133.10054	0.2
149.51923	0.2
153.01828	1.0
154.02559	0.5
178.02518	0.6
186.06744	0.2
207.66765	0.2
213.05484	0.2
214.06110	0.4
241.04865	0.5
242.05722	3.5
253.04987	0.2
258.05185	3.2
269.04489	0.3
270.05191	12.0
271.05643	0.4
273.04013	1.8
285.04001	0.3
286.04623	2.2
287.05457	5.5
288.53409	0.2
298.04810	0.2
299.05460	1.0
301.03430	2.6
302.04169	3.4
313.03430	1.4
315.04944	49.1
316.05679	6.3
331.08072	100.0
332.08417	2.9
365.82272	0.2
413.80429	0.2
497.14368	11.5
498.14804	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1434
Annotation	CHEBI:67640
Peak:m/z	Relative Intensity
67.05479	0.3
69.03406	0.2
69.07035	0.2
69.58500	0.4
69.58912	1.0
71.11629	0.2
81.07014	0.3
87.10540	0.2
91.05436	0.3
93.06976	0.2
95.08587	0.3
105.07041	0.2
108.02056	0.2
108.15325	0.1
119.08549	0.2
119.98751	0.2
127.31965	0.1
137.02298	0.2
139.64941	0.2
153.01770	0.7
154.02538	0.4
178.02580	0.5
191.23076	0.2
203.03368	0.2
213.05498	0.2
214.06044	0.3
229.04961	0.2
241.05064	0.4
242.05698	3.2
257.04425	0.2
258.05194	3.4
259.06015	0.3
269.04489	0.5
270.05179	11.1
271.05600	0.3
273.03897	1.8
285.03934	0.7
286.04654	1.5
287.05429	5.1
288.05957	0.2
298.04681	0.3
299.05502	0.9
301.03424	2.5
302.04150	3.1
313.03384	1.8
315.04932	48.3
316.05646	6.5
331.08057	100.0
332.08423	3.5
376.82254	0.2
402.26389	0.2
497.14487	3.6
498.14731	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.8
53.47416	3.6
55.01855	7.8
55.05498	29.0
57.03425	9.1
59.78319	3.4
62.58368	3.5
65.03930	5.9
67.05494	67.7
69.03421	29.2
69.07052	22.7
69.43652	38.7
71.04984	30.8
71.32623	3.5
79.05482	34.5
81.03410	60.5
81.05549	4.0
81.07043	100.0
83.04976	23.7
83.08601	22.2
85.02891	26.5
85.06526	15.2
88.62376	3.4
91.05473	42.0
93.03395	4.0
93.07019	40.7
95.04945	17.0
95.08592	88.9
97.02869	22.3
97.06538	22.3
97.10155	12.6
98.21421	5.9
99.04448	7.5
99.08073	12.1
105.07003	37.5
107.04910	9.5
107.08564	19.3
109.02866	27.8
109.06487	11.6
109.10128	19.7
110.45288	3.5
111.04431	33.5
111.08091	5.8
117.07001	8.8
119.08561	45.0
121.06553	8.4
121.10100	19.1
123.08073	10.9
127.03888	41.0
129.06960	9.1
129.23741	3.9
131.08545	12.3
133.06490	7.9
133.10095	32.5
135.08017	10.7
135.11688	20.3
137.05936	6.0
137.09579	11.5
137.13237	9.9
139.03856	43.0
143.08514	5.6
145.04962	5.3
145.10130	8.4
147.04369	13.9
147.08018	5.7
147.11694	6.1
149.13216	7.6
151.07524	13.4
154.34885	4.0
155.08603	3.6
157.10161	7.9
159.08025	5.9
159.11644	8.7
161.06000	4.8
161.09592	4.2
161.13208	56.3
172.85599	4.3
173.09518	4.2
173.11760	7.5
173.13170	4.8
175.11142	5.1
179.10703	5.0
179.14285	51.4
180.14723	4.1
183.63043	4.4
187.14760	4.1
191.14204	4.6
193.12187	5.1
195.13837	4.2
197.15392	8.7
203.14091	5.0
207.13905	5.9
211.13152	5.3
213.41925	4.4
221.15370	4.4
225.09113	4.3
225.14725	5.2
237.14899	7.9
251.16376	4.5
259.17026	4.2
263.16467	5.4
269.15323	5.4
287.16321	16.4
305.17422	29.0
323.05444	7.3
323.18491	57.3
341.19583	13.9
497.11542	4.5
497.29663	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	497.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.05494	5.9
57.03415	2.7
59.04945	1.7
61.02902	3.3
65.97784	1.7
67.05495	11.4
69.03421	10.2
69.07045	6.0
69.87060	4.7
69.87476	7.6
70.06565	3.8
71.04985	3.2
72.08115	4.8
73.02902	3.2
79.05488	9.2
81.03409	4.5
81.07043	100.0
82.85067	1.6
85.02893	41.0
86.09696	5.6
91.05448	4.1
93.07034	5.5
95.08591	74.1
97.02847	9.8
97.10157	8.8
98.20677	1.8
99.04447	3.1
105.07001	3.7
105.26667	1.6
107.08584	3.3
109.02881	6.5
109.10146	3.2
111.11720	2.9
118.26073	1.6
119.08602	2.2
121.10175	2.1
127.03881	10.4
131.08553	2.3
135.11647	1.8
136.07547	5.2
137.13234	73.3
143.08530	1.8
143.11794	2.9
145.04915	13.8
147.04408	2.8
152.06993	2.0
155.14297	46.2
162.05489	4.7
162.92586	2.2
163.03784	2.1
163.06009	4.4
164.07054	7.2
172.27818	1.8
173.15346	32.1
179.69527	1.7
190.04924	3.4
263.92859	2.0
301.11810	2.5
317.14771	3.9
418.85379	1.9
477.47327	1.9
497.17780	1.8
497.27417	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	9.1
55.01863	9.7
55.05507	30.0
55.33847	3.1
57.03431	33.3
57.07058	7.9
58.03589	2.9
61.02922	62.9
65.03934	4.0
67.05496	97.9
67.27216	3.0
69.03413	35.2
69.07064	22.4
70.23802	5.0
70.24226	9.6
71.01326	9.0
71.04966	8.2
71.23868	3.3
72.84007	2.6
73.02904	33.6
79.05483	70.5
81.03407	29.9
81.07043	100.0
83.04993	7.7
83.08617	18.0
85.02892	65.1
85.06534	6.2
86.21154	2.8
91.03952	35.3
91.05468	58.4
93.07030	86.5
95.04960	16.4
95.08588	73.6
96.28550	3.5
97.02875	58.2
97.06528	7.9
97.10136	9.0
98.21363	4.5
99.04418	11.2
101.02330	7.1
103.03912	5.3
103.05447	3.0
105.07011	53.3
107.04927	8.0
107.08572	42.9
109.02829	4.8
109.06504	10.2
109.10150	29.7
111.04406	6.8
111.08072	6.9
113.05980	3.9
115.03914	4.4
117.07003	15.2
119.08556	37.4
121.06460	6.7
121.10123	32.1
123.08030	3.1
123.11677	10.3
125.09608	6.7
127.03891	16.1
129.05501	7.6
129.06976	20.5
131.08537	37.0
133.06471	6.3
133.10139	25.4
135.08025	7.0
135.11681	20.5
137.13193	4.4
141.06940	4.1
142.07730	4.2
143.08571	17.6
145.04915	6.4
145.06413	5.0
145.10077	27.1
147.08026	5.6
147.11679	16.5
149.09668	5.5
149.13243	13.8
155.08571	11.5
157.06480	4.0
157.10114	10.0
159.08014	7.5
159.11687	19.1
161.09576	3.8
161.13251	12.0
163.11172	4.3
163.14804	11.5
169.10114	9.4
171.08080	3.7
171.11676	11.8
173.09616	4.4
173.13206	14.5
175.11234	6.7
175.14859	9.9
177.12709	4.1
177.16328	4.6
181.10069	8.5
183.11671	6.8
185.09541	3.5
185.13239	9.9
187.14766	12.7
189.12852	3.9
195.11604	4.0
197.13260	5.1
199.14859	6.4
201.16441	4.3
211.14966	4.8
213.12704	4.7
217.15840	3.7
217.19688	3.4
223.14738	3.2
241.19553	4.3
243.21071	15.6
259.20499	6.1
261.22153	29.3
273.22153	6.2
277.21719	5.7
285.21857	3.8
291.23267	5.0
303.23129	14.8
315.23074	8.7
317.24710	6.6
327.23007	8.0
333.24167	4.5
335.25772	48.0
341.24869	5.0
351.23203	6.8
365.26804	4.5
369.24210	13.1
377.26758	4.8
387.25546	6.0
389.26675	6.2
405.26663	6.0
419.27689	6.6
425.26666	6.3
431.27768	9.3
443.27844	38.9
461.29022	16.8
479.30084	16.8
497.31299	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.5
55.01865	7.2
55.05500	27.1
57.03434	31.7
57.07067	6.4
61.02915	50.4
67.05498	100.0
69.03419	37.9
69.07067	21.8
71.01331	5.0
71.04973	10.1
72.01264	3.3
73.02912	28.7
73.26814	3.3
79.05481	58.0
81.03410	30.5
81.07044	88.1
83.04967	7.2
83.08599	11.9
85.02892	52.4
85.06541	7.6
91.03945	32.4
91.05460	53.7
91.33398	3.1
93.07034	79.6
95.04958	17.8
95.08599	77.9
97.02873	47.8
97.06502	9.4
97.10136	6.9
99.04446	8.4
99.08029	4.4
101.02344	4.3
103.03893	5.6
105.07010	47.3
107.04932	6.5
107.08588	39.6
109.02847	13.0
109.06503	6.8
109.10155	36.0
111.04427	6.2
111.08029	5.2
115.03881	3.5
117.06983	19.3
117.11203	4.2
119.08565	39.4
121.06499	5.4
121.10129	28.3
123.08041	5.6
123.11678	10.8
127.03905	13.5
128.06172	4.0
129.05444	6.9
129.06998	17.4
131.08533	37.2
133.06467	7.6
133.10106	24.8
135.08034	9.8
135.11670	21.4
137.09543	5.7
137.13206	6.2
143.08563	17.1
145.04927	7.2
145.10106	33.3
147.08047	7.1
147.11671	16.8
149.09520	7.9
149.13249	16.3
155.08505	7.0
157.06441	4.4
157.10075	12.0
159.08028	5.6
159.11664	19.8
161.13275	17.3
163.11139	5.6
163.14825	5.9
165.12825	5.3
167.08508	5.2
169.10110	9.2
171.08031	3.7
171.11655	14.0
173.13196	16.9
175.14786	10.3
177.12708	4.1
183.11736	6.0
185.09489	6.9
185.13239	8.3
187.11113	5.6
187.14758	9.9
189.12628	5.9
195.11690	5.9
199.14891	6.0
199.86209	3.6
201.16350	5.8
203.14235	5.4
215.14359	4.5
239.14163	4.4
243.21068	9.4
259.20551	6.8
261.22156	20.2
273.22211	6.9
285.22153	4.9
291.23199	4.4
294.87302	3.2
303.23279	16.9
308.85410	3.8
315.23154	7.8
317.24774	7.4
327.23184	4.0
335.25870	34.6
341.24680	6.6
351.23108	12.7
369.24374	11.9
377.26816	10.7
387.25302	7.5
419.28067	9.0
425.26862	6.1
431.27756	15.1
443.27924	35.3
461.28818	21.3
479.30167	16.3
497.31125	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	9.4
55.05499	22.2
57.03438	5.9
60.82853	4.0
61.02871	4.0
67.05495	60.3
69.03407	14.7
69.07054	37.4
70.46727	8.1
70.47102	15.0
71.04981	75.2
73.02875	4.9
79.05488	46.3
81.03408	10.3
81.07038	89.6
83.04970	10.6
83.08601	16.1
85.02881	28.0
85.06528	22.9
87.04449	4.8
91.05478	19.3
93.07034	56.3
95.04950	7.1
95.08588	62.5
97.02871	13.7
97.06519	22.6
97.10159	10.3
98.21375	4.6
99.04398	4.9
99.08083	5.1
104.12067	4.6
105.01886	5.4
105.07010	13.0
107.08575	37.8
109.02866	7.9
109.10143	33.9
111.08069	15.1
111.11684	5.0
115.03891	4.5
119.04905	4.3
119.08576	15.4
121.10120	64.7
123.11698	21.3
125.09661	5.8
127.03875	11.4
133.10114	15.4
135.11646	45.5
137.05992	7.1
137.09639	4.6
137.13287	4.0
139.07532	4.3
139.11163	6.9
145.10133	5.4
147.04420	8.6
147.11668	11.2
149.13219	18.0
151.11151	5.6
161.13239	5.6
163.14844	4.5
169.12212	14.8
175.14867	5.2
177.09930	3.8
183.11839	4.4
187.13312	13.8
189.16428	5.3
245.22610	9.6
253.15305	4.4
263.23615	55.7
281.24713	100.0
299.25760	91.3
317.26770	14.2
335.27927	12.0
359.93634	4.0
497.28027	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.9
57.03426	3.6
60.08154	1.3
67.05492	9.4
69.03415	7.1
69.07056	2.5
70.06597	3.1
71.04983	19.6
71.70676	1.3
72.08153	1.7
79.05486	3.2
81.03397	1.5
81.07050	10.1
83.04980	2.4
83.08592	1.9
85.02888	9.0
85.06532	27.3
86.09689	8.2
87.04453	4.0
90.52072	1.1
91.05470	11.4
93.07030	6.8
95.04942	1.9
95.08566	2.9
97.02863	6.2
97.06514	1.4
100.11266	2.1
104.10756	1.6
105.06997	7.8
107.08570	9.5
109.02872	1.9
109.10136	13.5
110.06032	1.5
115.03896	2.9
119.08533	2.0
121.10135	1.5
123.11702	2.4
124.07549	1.5
125.00014	1.3
126.09117	2.5
127.03899	6.5
128.10698	1.9
131.08487	1.2
133.04956	3.4
133.10110	26.6
145.04977	1.2
145.10135	1.7
147.04404	1.4
150.07529	1.5
151.11157	26.6
152.07063	1.3
161.09549	1.8
163.03865	2.6
164.07021	7.4
169.12213	23.2
169.13571	1.8
169.51382	1.4
171.11565	1.4
183.95399	1.4
184.07307	8.0
187.13271	100.0
188.13531	2.5
200.09160	1.9
210.14835	1.8
217.85223	1.4
255.11232	3.1
284.19690	2.0
301.11761	3.8
326.12280	5.3
364.84119	1.3
455.44229	1.2
462.16544	2.5
498.25790	1.3
513.17712	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.0
56.05028	0.3
57.03429	6.2
57.07043	0.4
58.06592	27.7
59.07372	9.8
60.08158	9.6
67.05494	5.4
69.07063	1.9
69.64371	2.5
73.02882	1.0
75.04475	3.4
79.05455	1.4
81.06604	0.4
81.07042	4.7
83.04963	0.4
83.08590	0.8
85.02888	2.7
87.03957	0.3
87.04454	4.5
91.05476	0.8
93.05490	0.6
93.07014	1.3
95.08595	3.0
97.06520	0.4
97.10120	0.3
102.05524	0.5
103.03893	0.5
105.05473	1.2
105.07005	0.6
106.46344	0.3
109.10121	1.3
113.05934	0.4
114.45299	0.3
119.08582	0.5
131.07037	2.2
144.10179	7.5
145.10417	0.3
159.06502	0.4
162.11241	4.3
200.12814	0.3
218.13850	0.7
236.14894	100.0
237.15251	1.5
313.27252	0.8
314.01242	0.3
336.94528	0.3
337.27429	0.5
427.61511	0.4
436.37906	0.4
480.36804	26.1
481.37070	1.2
498.37839	72.3
499.38269	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	499.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	1.2
69.96243	5.7
69.96656	2.1
75.97361	1.1
77.00873	1.7
82.99863	2.9
85.02912	1.6
94.99868	2.5
97.02846	1.9
98.20814	1.8
101.00850	9.4
103.02416	3.2
113.00871	3.4
114.37600	1.2
119.01906	40.3
119.02752	2.3
121.03506	2.4
127.02400	8.6
127.03864	1.6
129.04015	1.7
131.01895	21.5
133.03450	2.6
137.02937	5.6
139.02417	1.9
142.03474	1.9
143.01881	21.1
145.03439	58.1
147.01361	3.7
147.04984	1.4
149.02940	5.8
155.01888	29.1
156.02065	1.4
157.03456	21.8
159.05135	1.4
161.01636	1.8
161.02953	30.1
162.03052	1.6
163.04514	11.0
167.01845	9.1
168.04997	2.2
169.03455	4.6
171.01315	9.2
171.04991	5.5
173.02951	61.7
174.03046	2.2
175.04520	4.4
177.02441	1.4
179.01872	3.4
183.01353	2.1
184.04527	1.4
185.02940	56.1
186.03064	1.4
187.04440	8.8
189.02423	10.2
189.05920	1.5
191.03976	3.1
196.04584	1.8
197.02939	20.3
199.00826	4.4
199.04512	5.0
201.02333	2.3
203.03999	16.3
205.05582	2.0
208.04633	1.7
209.02893	3.3
215.03973	11.6
217.01918	58.2
218.02171	1.4
221.05051	9.4
227.03973	9.8
229.01854	11.5
235.02959	27.0
239.03992	1.8
239.06018	1.6
241.01825	1.6
245.05046	100.0
246.05289	4.3
247.02913	15.9
247.06641	3.7
253.04149	1.8
257.05042	14.9
258.04758	4.2
263.06079	17.1
265.03976	3.3
275.06067	22.0
277.03992	20.4
293.07144	4.5
301.04047	11.7
305.07190	11.9
307.08783	3.5
319.05069	27.1
335.08176	4.6
337.06082	28.5
337.09845	2.3
351.11295	1.9
365.09256	10.5
481.09592	1.3
499.11319	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	499.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.1
61.02912	1.0
65.03918	3.8
69.03397	1.0
70.94934	2.1
70.95310	1.8
72.46165	0.9
81.07031	1.5
85.02866	3.6
92.04986	4.8
96.08122	4.4
97.02867	1.4
120.04436	1.2
124.07581	5.2
126.09126	9.6
138.09146	1.8
148.03845	2.0
150.05504	1.4
152.07043	28.8
166.04976	56.4
176.03401	9.1
182.04495	7.2
194.04456	6.4
198.07813	1.2
199.08572	2.1
200.10698	2.8
201.13918	0.9
206.23006	0.9
209.10695	1.4
211.08598	1.5
212.09447	2.9
213.19540	0.9
215.07979	1.4
224.30876	0.8
225.10216	2.2
227.11717	4.4
228.10106	3.8
229.13284	1.5
233.09189	2.9
240.08865	4.0
241.09628	1.9
243.11055	0.9
253.09735	4.1
255.11134	4.6
257.09183	2.4
257.12784	1.2
259.07059	2.8
261.12296	2.4
270.09930	2.1
271.10718	10.7
272.09042	1.4
273.12186	2.2
283.10727	40.5
283.13873	2.2
289.11829	5.9
301.11768	34.7
319.12827	100.0
320.13260	2.6
465.46570	1.0
481.17917	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	499.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	3.3
69.03417	2.3
71.03303	3.2
79.05466	1.2
81.05756	0.9
81.07034	1.3
82.18844	0.9
85.02869	4.4
92.04987	4.0
94.06548	1.0
96.08104	5.4
97.02852	1.1
109.06512	1.0
122.06005	1.1
122.09692	0.9
124.07577	4.0
126.09131	12.1
138.09111	3.1
148.03926	1.9
150.05515	1.0
152.07043	31.9
164.03467	1.2
166.04976	55.8
169.08977	0.8
171.09096	1.1
175.09872	0.8
176.03421	9.1
182.04488	8.7
185.08327	0.8
187.81143	0.8
194.04431	4.6
194.08359	1.0
199.08629	1.5
200.10670	2.0
200.73343	0.8
211.08705	1.6
212.09439	2.6
213.10170	1.3
225.10210	2.7
227.08223	1.0
227.11746	5.7
228.10278	2.1
229.13354	2.0
233.09074	2.7
239.08165	1.6
240.08743	4.0
241.09756	1.6
242.10271	1.1
243.11317	1.2
245.09200	0.9
253.09718	3.4
254.08078	1.1
255.11229	5.6
257.09213	2.6
257.12839	2.3
259.07193	2.7
261.12335	1.7
264.73401	0.8
270.10068	1.1
271.06564	0.9
271.10767	11.1
272.08939	1.4
273.09030	1.1
273.12347	3.5
283.10730	44.1
289.11823	7.2
301.11789	37.3
319.12848	100.0
320.13098	2.6
337.13931	1.2
432.56558	1.0
481.18637	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12355	1.0
59.51896	1.1
61.02906	1.0
65.03930	3.5
69.03413	2.2
70.06562	1.1
70.94428	1.8
70.94846	1.8
79.05449	1.6
81.07043	1.7
82.06591	1.1
85.02894	4.5
92.05003	3.8
94.02898	1.0
94.92432	0.9
95.04953	1.3
95.08574	2.0
96.08109	4.0
97.02875	1.7
109.42300	0.8
110.06038	1.1
119.52219	1.0
122.06025	1.6
124.07563	4.4
126.09138	10.6
138.09117	3.6
139.11140	3.0
148.03923	1.4
150.05507	1.7
152.07034	30.4
157.12259	2.5
163.03888	3.7
164.03401	1.6
166.04968	55.0
168.06639	1.1
171.09270	1.1
175.13271	1.6
176.03427	8.7
182.04459	9.8
184.10027	1.3
194.04483	4.4
199.08646	2.3
200.10736	2.3
209.10643	1.1
212.09410	3.4
215.08128	1.8
217.13322	1.1
225.10210	2.6
227.11673	4.5
228.10167	2.9
229.09711	1.3
233.09085	2.8
240.08916	2.7
241.09712	1.8
242.10474	1.8
245.08891	1.0
253.09685	3.6
255.11319	4.3
257.09232	2.7
257.12802	1.4
259.07227	3.6
261.12277	1.9
271.10706	9.5
272.09073	1.7
273.08658	2.0
273.12244	2.0
283.10721	44.1
284.11276	1.1
289.11859	7.3
301.08292	1.3
301.11768	35.4
319.12830	100.0
320.13123	1.9
481.17828	1.5
499.29980	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.01855	5.2
57.03431	5.2
67.05496	9.1
69.03429	14.0
70.72699	5.2
70.73045	4.2
73.02901	2.7
79.05486	34.1
80.04771	2.1
81.03395	11.8
81.07050	13.1
83.04953	4.6
83.27496	2.1
85.02883	19.6
91.05465	15.9
93.07042	18.0
95.04951	10.7
95.08582	23.1
97.02877	5.4
97.06540	2.8
98.97570	5.1
99.04444	5.1
101.07086	2.8
103.05478	6.1
105.07013	62.1
107.04930	15.0
107.08569	8.2
109.02869	5.4
109.06486	11.9
116.98610	2.5
117.07043	2.6
119.17212	2.4
121.06479	12.5
123.08051	14.4
127.03886	10.5
131.04909	39.6
133.06477	44.0
135.08018	6.8
139.07521	8.0
143.08488	2.5
146.80177	2.4
149.05962	8.8
151.07515	100.0
153.09091	4.4
163.07474	2.4
167.07059	4.9
169.08566	21.7
177.00706	3.6
179.07027	3.0
187.09624	23.4
207.06686	2.3
211.02744	2.9
230.41086	2.2
239.02155	2.4
254.77946	2.3
295.11670	5.0
301.11618	3.6
313.12732	3.9
319.15607	4.9
337.17014	2.3
392.80801	2.3
499.21481	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	499.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50816	1.8
53.03919	2.7
55.01870	2.9
55.05502	10.2
55.67696	1.8
57.07060	3.1
65.03919	2.1
67.05497	9.7
69.03434	3.4
69.07047	12.3
69.52511	5.1
69.52915	12.8
79.05469	13.9
81.03419	2.2
81.07040	24.5
83.04995	2.6
83.08617	5.9
85.02874	3.0
85.06569	2.7
91.05466	22.1
93.07018	26.7
95.04943	5.5
95.08588	35.5
97.06519	4.4
99.04508	1.8
99.08081	4.5
103.05472	2.8
105.07014	56.8
107.08579	36.9
109.06512	6.6
109.10143	16.4
111.08086	3.7
114.63521	1.8
115.05442	4.1
117.07009	11.6
118.77090	1.7
119.04900	1.9
119.08559	100.0
119.18314	1.8
121.06505	12.1
121.10132	20.2
123.08067	7.2
123.11686	4.9
125.05991	4.3
129.06996	8.9
130.07784	3.8
131.08545	61.6
133.06494	1.9
133.10106	43.8
135.08026	9.5
135.11693	7.0
137.05864	2.2
137.09604	4.3
141.06924	2.9
142.07779	8.1
143.08549	28.5
144.09271	6.8
144.37315	1.9
145.06494	2.6
145.10101	94.8
146.10413	1.8
147.08020	7.2
147.11664	24.5
149.05885	2.8
149.09624	6.3
149.13268	8.8
151.07495	4.6
155.08545	7.4
156.09341	13.8
157.10101	43.9
158.10852	3.7
159.08070	5.2
159.11668	55.9
161.09633	13.5
161.13237	26.2
163.07544	9.0
163.11145	7.7
163.14786	17.2
167.08519	2.9
169.10139	9.2
170.10872	15.5
171.11674	31.8
172.12532	3.0
173.09590	3.1
173.13243	70.8
174.13583	2.2
175.11212	6.6
175.14803	64.9
176.11847	2.4
176.15131	2.3
177.09148	3.0
177.12712	6.6
177.16313	3.1
181.10095	4.1
183.11696	22.2
185.09622	4.1
185.13235	47.3
187.11221	3.8
187.14796	51.1
189.09143	2.8
189.12695	17.3
189.16397	17.4
191.10585	2.5
191.14261	56.9
195.11630	4.0
197.13246	11.4
199.11182	4.7
199.14792	53.7
201.12685	6.0
201.16376	31.2
203.14262	12.5
203.17972	2.8
205.12280	4.8
205.15877	4.5
207.11880	2.6
207.13748	4.1
209.13271	5.5
211.14841	6.9
213.16348	9.0
215.14375	11.0
217.12289	4.3
217.15851	9.1
219.13837	5.7
219.17377	3.4
221.13425	2.5
221.15424	5.9
225.16394	3.8
227.14246	3.8
227.17961	5.5
229.15834	3.8
231.13786	8.3
233.15286	11.0
235.13179	15.1
239.17896	3.3
243.13737	2.8
245.15340	15.5
247.16960	3.7
253.19456	2.6
273.18604	2.6
289.02179	1.9
371.27182	2.4
373.28961	5.6
389.28424	8.5
391.30115	9.2
407.29672	11.0
417.27634	13.1
419.29272	4.3
435.28937	22.9
437.30664	3.9
441.61005	2.0
453.30057	20.1
455.31525	3.6
463.28412	7.6
481.29364	23.5
499.30719	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	499.305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	3.1
55.05489	11.2
55.36536	2.6
56.74285	2.5
57.03421	3.4
64.93126	2.8
67.05505	11.9
69.03408	5.9
69.07045	9.4
69.65391	2.3
71.70795	4.5
72.08136	2.9
78.72659	2.2
79.05488	17.4
79.62730	2.6
79.73913	2.1
81.03407	4.2
81.07052	28.0
83.04958	3.2
83.08616	4.5
85.02877	7.6
91.05471	17.0
93.07033	27.9
95.04934	9.7
95.08596	34.8
97.02863	4.0
97.06530	4.9
97.10165	2.9
99.08070	6.1
105.07006	45.9
107.08581	45.6
109.02872	4.5
109.06482	9.7
109.10121	11.4
111.08069	3.0
117.07010	13.0
119.04929	3.4
119.08564	100.0
119.09412	5.9
120.78074	2.3
121.06506	10.2
121.10130	26.3
123.08033	6.1
123.11684	5.3
127.03900	3.4
128.06207	3.6
129.06989	7.5
130.07793	5.2
131.08551	52.9
133.10110	36.5
135.08041	9.9
135.11658	10.7
137.05951	10.4
137.09595	4.7
141.06995	2.6
142.07751	8.2
143.08557	22.8
144.09357	6.5
145.10112	71.5
147.04375	7.8
147.07986	7.0
147.11676	26.1
149.05936	3.1
149.09578	6.3
149.13220	8.0
151.07500	4.5
151.11154	3.1
155.08495	6.3
156.09344	9.1
157.10088	31.4
158.10881	6.6
159.07999	4.9
159.11662	44.9
160.12051	3.1
161.09583	10.2
161.13222	26.2
163.03877	6.1
163.07513	9.2
163.11176	11.3
163.14810	9.8
168.09367	2.5
169.10132	11.4
170.10887	10.5
171.11670	32.2
173.09723	4.0
173.13243	68.8
175.11145	5.1
175.14793	45.7
177.12636	3.7
177.16481	2.9
181.10118	3.9
183.11671	20.8
184.12521	4.0
185.13257	42.1
187.07596	3.0
187.11195	3.1
187.14771	39.2
189.12726	14.9
189.16385	12.8
191.14297	43.9
195.11757	5.9
197.13210	10.5
199.11082	4.1
199.14812	45.1
201.12752	5.1
201.16342	26.2
203.14262	11.0
205.15858	3.6
207.13753	3.8
209.13322	4.4
211.14827	9.5
213.12732	4.6
213.16330	9.9
215.14314	4.2
215.18039	3.7
217.12180	6.7
217.15886	7.1
219.13814	5.4
219.17352	2.8
221.15332	6.2
225.16388	6.7
227.14375	5.4
227.17897	3.7
229.15875	2.8
231.13789	7.4
233.15349	14.7
235.13167	7.9
237.16425	3.9
245.15364	9.4
245.19131	2.8
247.16998	7.3
253.19606	3.1
255.20857	2.9
261.15942	2.5
298.30313	3.1
337.10687	3.3
371.27411	3.5
373.28909	6.1
389.28329	13.4
391.29904	8.3
407.29288	7.2
417.27704	11.2
419.29468	4.7
435.28918	16.9
453.29965	15.1
455.30899	5.2
463.28293	7.7
481.29620	19.1
499.22638	3.5
499.30569	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	499.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.3
55.01851	8.0
55.05502	32.4
57.03199	2.3
57.03429	27.2
57.07052	8.9
57.98140	1.9
58.30299	1.8
61.02619	3.0
61.02920	56.6
67.05496	84.1
69.03418	36.7
69.07052	40.7
71.01337	5.7
71.04962	6.5
71.08624	3.0
71.71351	2.0
73.02517	2.4
73.02907	24.7
74.85360	1.8
79.05479	34.3
81.03412	21.8
81.07043	100.0
83.04961	6.6
83.08608	23.2
85.02383	3.7
85.02891	59.5
85.06518	2.5
87.04445	4.0
91.03938	36.7
91.05454	26.0
91.91682	1.8
93.07030	33.3
95.04935	6.8
95.08589	65.1
97.02874	53.8
97.06504	6.5
97.10149	10.3
99.04432	13.9
99.08072	4.0
101.02361	13.6
103.03920	9.2
105.07006	22.0
107.04935	3.5
107.08582	24.0
109.02856	8.9
109.06535	3.2
109.10142	34.4
111.04405	2.5
111.08014	2.9
111.11658	2.2
115.03906	6.1
117.06978	4.1
119.08562	15.5
121.10146	19.9
123.08079	2.7
123.11666	16.0
125.09602	3.1
127.03899	23.5
129.05438	5.5
129.06949	2.9
131.04805	2.0
131.08537	8.2
133.10110	15.3
135.07993	2.3
135.11691	12.3
137.13271	3.6
143.08551	4.6
143.39854	2.0
145.04903	7.5
145.10068	8.0
145.11136	2.1
147.11713	10.6
148.04088	2.2
149.13274	9.2
151.14755	4.9
157.10123	2.9
159.06528	3.9
159.11620	5.0
161.13197	6.8
163.14809	8.1
165.12737	2.3
171.11691	4.3
173.13281	5.3
175.14812	7.1
177.16434	2.1
183.06552	5.7
183.11652	3.3
185.13239	3.1
189.16333	3.1
201.07527	4.6
234.41469	2.3
245.22659	10.4
263.23642	20.3
279.23093	2.7
302.87775	1.9
303.23068	3.9
337.27328	80.6
353.24789	2.5
365.26694	3.1
371.25769	6.5
389.26938	2.5
407.29095	2.2
416.29758	2.1
445.29587	3.5
481.31140	6.2
499.32864	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	499.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	6.4
55.01851	8.1
55.05276	2.8
55.05510	28.4
57.03427	28.9
57.07074	10.9
60.08160	3.7
61.02613	3.7
61.02921	71.5
65.03927	3.4
67.05499	87.7
69.03422	39.1
69.07059	33.5
69.57558	9.8
69.57984	8.6
71.01340	6.5
71.04977	4.8
71.08622	6.0
73.02910	30.2
79.05482	28.4
81.03403	21.3
81.07049	95.7
83.04968	7.4
83.08609	22.5
85.02899	74.1
85.10165	2.3
86.09686	7.7
87.04469	5.4
87.10040	2.9
91.03945	46.2
91.05476	24.4
93.07040	30.1
95.04961	3.0
95.08596	71.3
97.02884	58.0
97.06507	10.8
97.10162	12.2
98.21474	4.1
99.04456	13.8
99.08080	2.3
101.02386	14.3
103.03965	11.2
104.10725	20.9
105.07026	15.5
105.11060	9.6
106.11189	3.8
107.08578	20.2
109.02872	10.9
109.06487	3.0
109.10130	30.9
111.04449	2.6
111.08113	3.0
111.11691	2.7
115.03905	4.5
115.05405	2.4
117.05493	3.6
117.06998	2.6
119.08570	14.0
121.10142	16.2
123.11699	17.9
124.99971	3.6
125.09635	4.1
127.03917	25.0
129.05457	3.5
129.07016	4.8
131.08528	7.9
133.10124	13.7
135.11703	11.7
137.09558	3.0
137.13239	8.0
139.21957	2.5
143.08485	3.8
145.04941	12.4
145.10120	7.0
147.11639	10.7
149.13235	6.8
151.11089	2.8
151.14792	5.1
157.10065	4.1
159.06396	3.7
160.91109	2.4
161.13234	7.7
163.14796	7.1
169.10188	2.6
171.11685	6.1
175.14801	6.8
177.16420	2.2
183.06490	6.2
184.07373	10.6
185.07703	4.3
186.07770	7.3
187.08176	3.3
187.14755	2.8
189.16301	3.9
193.99600	2.3
201.07523	2.8
209.41417	2.0
243.21014	2.7
245.22690	14.4
263.23688	25.5
314.27411	2.5
319.26578	3.0
337.27341	100.0
337.31476	4.9
347.25592	3.0
361.18439	2.4
445.29504	4.0
481.31894	6.5
499.33078	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	500.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	9.9
60.04480	5.2
67.05490	4.6
68.30402	3.6
69.03430	23.2
69.07092	5.0
70.03986	9.5
70.04398	16.1
70.06585	27.8
71.04982	11.1
72.08130	14.7
73.02898	5.0
74.06068	6.8
79.05465	5.1
81.03401	12.5
81.07037	22.0
84.04483	10.2
84.08103	8.3
85.02895	32.5
86.09676	13.8
87.04440	10.8
91.05444	7.5
93.07037	19.9
95.04942	4.5
95.08606	5.7
97.02872	19.8
97.06498	4.5
99.04418	7.9
105.07001	5.6
107.08550	16.9
109.02913	5.3
112.08648	3.7
115.03885	14.0
116.07083	4.6
119.08510	7.9
121.10141	6.2
127.03869	11.0
131.08545	7.2
131.66579	3.7
133.04947	12.0
135.11649	20.4
136.07565	8.3
137.05908	5.0
137.07892	5.7
138.05405	4.6
145.04993	4.7
147.04370	7.0
153.12712	100.0
154.08559	7.7
159.11652	3.7
162.10225	15.8
164.07115	3.8
171.11414	4.6
173.13272	5.5
188.08173	27.8
191.14357	8.3
278.15170	6.0
322.13913	65.0
405.95996	4.5
484.19205	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	500.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.2
57.07059	0.5
60.04510	0.4
62.06067	1.1
67.05486	2.6
69.07058	2.1
70.02928	1.5
72.04505	0.5
74.15868	0.3
79.05478	1.5
81.07043	4.5
83.08585	1.1
84.06593	0.3
85.02902	0.4
88.03982	0.4
91.05456	1.4
93.07024	3.9
94.23156	0.3
95.08002	0.7
95.08589	10.8
97.06499	0.4
97.10135	1.1
97.54449	0.3
98.21535	0.7
105.07027	2.8
107.08572	6.7
109.10136	7.0
111.08022	0.4
119.08553	4.9
121.10130	6.0
123.11672	1.7
131.08563	0.5
133.10098	3.7
135.11661	5.8
137.13222	0.4
145.10089	1.0
147.11653	2.4
149.13216	3.8
159.11697	0.9
161.13280	1.8
163.14803	2.9
173.13242	0.6
175.14806	2.3
177.16359	3.2
187.14816	1.6
189.16333	4.8
191.17934	8.2
201.16402	1.2
203.17899	6.0
204.18211	0.4
205.19464	4.0
210.90179	0.3
215.17908	0.9
217.19463	0.8
220.61182	0.3
231.20885	0.4
250.17952	0.5
264.19479	0.5
278.21124	1.1
280.22906	0.4
292.22662	1.7
393.34995	1.0
411.36121	0.6
432.50891	0.4
482.39966	1.4
500.40912	100.0
501.41336	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	501.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87452	0.4
53.03936	0.4
55.04918	0.3
55.66185	0.4
62.22832	0.5
63.23185	0.4
69.03394	0.5
69.53943	0.4
70.05271	1.9
85.59633	0.4
89.51921	0.4
90.07751	0.4
91.05468	0.9
93.07013	1.2
119.01918	1.2
121.10159	0.4
132.95872	0.4
134.10593	0.4
137.06007	0.4
143.01901	0.6
143.03094	0.5
161.02986	0.7
163.03893	0.6
166.14842	0.4
170.63965	0.4
184.07361	0.4
199.62125	0.4
203.05310	1.5
206.51274	0.4
207.09836	0.7
309.11588	0.5
317.08371	1.6
335.09436	20.5
339.12790	0.5
369.15268	3.4
381.13828	1.1
501.19382	100.0
502.19675	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	501.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	12.0
57.07053	3.8
60.85858	2.4
67.05501	15.9
68.72018	2.3
69.03402	5.3
69.07054	12.7
70.68716	7.4
70.69064	3.1
71.04961	2.9
75.72572	2.4
79.05483	24.6
81.03426	2.5
81.07044	36.8
83.04970	23.9
83.08590	5.6
85.02869	3.6
85.06528	5.3
86.09679	5.1
86.31596	2.1
91.05466	30.4
93.07037	43.1
95.04968	17.6
95.08597	28.4
97.06507	6.9
103.05427	2.3
104.10719	7.6
105.07019	84.4
107.08583	56.2
107.44101	2.5
109.06483	6.9
109.10148	19.5
115.07537	4.0
117.07012	12.4
119.08575	70.5
121.06455	5.5
121.10129	32.5
123.08056	10.0
123.11685	6.3
128.06171	4.2
129.06993	11.0
130.07814	3.6
131.07651	4.3
131.08554	53.2
133.09175	4.7
133.10120	73.7
135.08032	8.6
135.11682	12.1
137.05922	4.2
137.09644	2.9
141.06973	2.7
142.07762	9.7
143.08548	37.0
144.09340	6.2
145.10106	63.7
147.08015	7.0
147.11673	100.0
149.09584	7.9
149.13249	23.0
154.07776	2.6
155.08546	10.9
156.09311	7.4
156.10536	2.4
157.10114	42.1
158.10915	6.6
159.11685	65.6
161.09610	10.1
161.13242	23.7
163.03949	4.3
163.11209	7.4
163.14821	4.5
165.06851	2.4
168.09314	6.0
169.10078	21.7
171.11690	43.2
173.09592	5.7
173.13248	61.4
175.11166	14.0
175.14810	21.8
177.12726	5.6
177.16353	27.7
182.10889	3.4
183.11731	11.8
184.07335	9.0
185.13245	33.4
187.11206	9.3
187.14798	63.3
189.12708	7.7
189.16388	9.1
191.14299	5.1
193.12144	3.6
194.54156	3.1
195.11642	6.4
197.11540	4.4
197.13242	36.9
199.11240	2.6
199.14803	25.3
201.12619	12.4
201.16351	12.7
203.14349	23.3
203.17937	3.8
204.06509	3.6
205.15855	55.3
209.13243	6.9
211.14882	5.6
213.12817	3.3
213.16353	8.4
215.14297	59.6
215.17833	3.8
217.15829	12.2
219.13776	2.7
221.15324	12.8
223.07190	2.7
227.17972	4.0
229.15706	3.6
231.13742	3.4
231.17381	8.1
233.15396	12.7
237.16528	3.3
241.19429	2.8
249.14758	4.8
251.16277	3.2
261.14786	6.8
263.12482	3.0
279.15842	38.6
279.20779	3.2
293.22562	2.8
297.16913	3.5
361.25095	4.1
367.22659	5.2
379.25906	2.6
391.65106	2.7
397.27237	10.4
401.28525	5.5
407.25330	3.4
419.29425	7.5
425.26532	21.2
437.30585	16.1
443.27771	27.9
451.22913	3.9
453.29791	6.1
455.31369	14.1
465.30014	15.4
471.31046	2.8
473.32700	3.7
483.31064	27.9
501.19366	6.5
501.32037	53.3
506.68170	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	501.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61211	5.1
55.05486	13.6
57.07074	4.9
62.57035	4.3
67.05476	13.0
69.03382	5.6
69.07063	14.2
70.14846	24.8
78.40270	4.9
79.05478	16.0
81.07036	36.5
83.08616	10.7
91.04973	4.1
91.05438	23.5
93.07026	35.0
95.08588	46.4
97.06493	5.6
99.08057	4.5
105.07012	64.0
107.08581	60.5
109.10142	46.8
117.07018	10.7
119.08559	100.0
121.06477	9.0
121.10105	45.0
123.11684	13.3
129.07039	6.9
131.08530	50.8
133.10109	60.7
135.08008	6.1
135.11690	32.1
137.05939	20.2
143.08516	18.3
145.10112	77.3
147.08014	4.6
147.11717	29.6
149.13234	17.7
155.08575	5.0
157.10078	29.0
159.11655	39.7
161.09598	11.5
161.13240	27.5
163.11147	6.4
163.14792	20.5
169.10040	5.2
170.10896	10.6
171.11618	16.1
173.13220	51.0
175.11229	5.5
175.14807	57.1
177.09113	5.0
177.12677	5.2
177.16409	16.4
183.11630	11.1
185.13211	56.4
186.13843	4.5
187.14787	71.6
189.12788	9.9
189.16335	21.8
191.14238	38.7
191.17928	13.3
197.13261	8.1
199.14775	26.0
201.12654	7.0
201.16389	51.2
203.14250	19.2
203.17935	19.8
205.15897	8.2
207.13875	5.4
213.16345	16.7
215.14262	12.0
215.17931	10.2
217.15742	10.9
219.17413	6.5
221.15479	5.3
227.17967	6.5
229.15816	9.8
229.19547	4.9
231.13803	5.5
233.15276	7.0
235.16832	6.0
244.23247	4.2
245.15437	11.1
246.06248	4.7
247.16945	14.0
249.14796	29.7
261.14886	5.9
289.08292	4.7
321.11108	10.0
353.24576	4.8
371.25845	9.7
373.28458	6.1
381.92142	4.3
391.30069	23.3
401.28793	5.8
409.30872	15.6
411.32462	10.5
419.29340	20.4
421.30966	6.1
437.30618	43.8
439.32062	7.8
455.31525	36.9
465.29697	7.2
483.30817	7.8
495.77017	5.3
501.31833	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	501.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42228	2.3
53.03905	2.6
55.05504	7.9
57.07081	3.0
64.61147	2.1
67.05489	14.3
67.23807	2.6
69.03413	2.2
69.07053	12.4
79.05485	19.2
81.07045	28.7
83.04960	11.3
83.08606	7.1
85.06540	3.0
91.05458	25.8
93.07027	44.2
93.07582	4.1
95.04955	7.3
95.08595	42.7
97.06454	3.0
99.08047	13.2
103.05441	2.7
105.07018	67.2
107.08580	64.1
109.06515	4.6
109.10146	34.8
111.08063	3.7
112.52889	2.2
112.75318	2.2
114.40849	2.1
114.57469	2.1
115.07541	2.1
117.07008	8.8
119.08568	100.0
119.09417	5.2
121.06493	9.3
121.10120	36.5
123.08108	5.2
123.11681	10.1
123.12531	2.2
129.06987	5.3
131.08548	62.8
133.06505	2.1
133.09174	4.3
133.10115	58.0
135.08011	7.6
135.11664	23.3
135.67813	2.1
137.09567	5.8
137.13268	3.0
137.93411	2.2
141.06816	2.5
142.07756	5.7
143.08545	26.5
144.09285	4.0
145.10101	63.8
147.08060	6.2
147.11674	74.0
149.09581	8.7
149.13242	14.6
155.08530	5.5
156.09317	6.5
157.10124	33.2
158.10823	4.7
159.08095	3.3
159.11673	48.1
161.09573	8.1
161.13249	24.5
163.11154	9.5
163.14839	13.0
165.09108	2.7
169.10098	7.3
170.10892	6.6
171.11670	28.6
172.12413	2.6
173.09634	3.1
173.13249	56.6
175.11153	5.2
175.14786	46.0
177.09079	3.6
177.12691	6.8
177.16348	10.8
179.14278	3.1
181.10014	4.1
183.11653	17.0
185.13251	38.0
187.11177	4.2
187.14795	84.4
189.12732	12.4
189.16281	15.3
191.14284	40.3
191.18028	3.1
193.15857	3.0
193.24274	2.4
195.11665	4.3
197.13208	15.1
199.14806	38.2
201.12747	8.7
201.16367	63.7
203.14345	21.2
203.17946	6.2
205.15839	11.4
209.13297	7.0
211.14830	10.4
213.12619	3.0
213.16347	20.7
215.14268	18.5
215.17888	4.8
217.12325	3.3
217.15883	10.9
219.13780	8.0
219.17403	10.6
221.15369	2.9
225.16353	6.5
227.17909	7.0
229.15916	7.0
229.19392	4.1
229.50513	2.7
231.13846	3.9
231.17442	3.3
233.15396	6.8
235.13217	10.5
237.16527	3.9
239.17952	3.2
241.19536	3.2
245.15269	7.2
247.16925	6.7
249.14737	15.8
259.16949	5.4
263.12872	2.9
267.21158	4.5
279.15860	6.2
297.54126	2.6
307.24133	6.5
319.24234	2.8
321.25925	2.6
335.23877	2.9
353.24652	9.6
373.28802	5.3
375.30499	3.8
391.29990	36.2
393.31427	9.6
397.27054	4.4
401.28369	4.3
409.31290	14.4
411.32605	3.0
419.29449	27.9
437.30417	52.9
438.30630	3.1
443.27917	5.4
447.29111	3.1
455.31424	22.7
465.29843	14.4
483.31067	20.4
501.31818	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	12.0
67.05500	16.3
69.07061	16.3
71.44234	7.0
78.93197	3.8
79.05482	18.1
81.07046	40.6
83.08604	14.4
85.06507	3.8
91.05460	19.8
93.07024	30.4
95.04952	5.4
95.08589	47.3
97.10100	3.2
105.07018	50.7
107.08565	51.4
109.06502	6.4
109.10146	38.2
111.08085	5.4
114.60545	3.7
117.06988	10.0
119.08560	100.0
119.09406	5.8
121.06508	7.5
121.10126	45.1
123.08069	5.5
123.11665	13.3
129.06999	7.1
131.08533	46.1
131.09317	4.4
133.10117	56.2
135.08063	6.1
135.11658	23.6
137.09567	5.8
142.07707	5.6
143.08553	21.7
145.10098	66.4
147.08032	7.0
147.11671	32.8
149.09612	5.4
149.13268	12.5
155.08582	7.9
157.10100	24.0
159.11693	37.0
160.01251	3.4
161.09641	7.5
161.13254	29.6
163.11156	6.2
163.14790	21.0
169.10034	7.7
170.10980	7.4
171.11685	14.8
171.46057	3.2
173.13228	40.2
175.14807	49.2
176.11749	3.4
177.12717	11.5
177.16391	13.5
183.11725	11.1
185.13219	58.8
187.14798	76.4
189.12785	10.6
189.16365	25.6
191.14279	34.9
191.17932	8.8
193.09953	3.4
197.13249	9.1
199.11023	3.9
199.14752	27.3
201.16371	46.0
203.14265	33.7
203.17938	13.1
203.39966	3.6
205.15924	8.6
207.14026	3.8
209.13284	3.6
211.14795	6.1
213.16357	11.1
215.14342	5.6
215.17897	6.2
217.15858	10.6
219.13646	4.1
221.15364	4.9
223.14717	4.0
225.16310	4.6
227.17841	6.7
229.15904	5.4
231.13805	6.6
231.17505	4.5
239.17885	4.3
241.19591	3.4
245.15454	8.1
247.16940	9.4
249.14819	27.0
253.19452	4.0
255.21164	5.5
259.16837	4.4
261.14941	9.2
263.16360	5.1
266.81567	3.5
271.16779	3.4
275.16141	5.6
307.24191	8.5
325.25067	3.9
353.24707	5.9
371.25937	11.1
375.30548	4.2
381.27899	11.4
391.29950	21.4
393.31519	7.2
399.28885	4.1
409.31097	22.9
411.32364	7.2
419.29495	25.1
421.31195	5.9
433.44873	4.2
437.30554	43.0
439.31992	4.7
455.31448	40.2
465.29636	10.0
483.30603	7.1
495.30130	3.8
501.31775	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	501.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	8.6
57.07061	2.4
67.05510	14.6
69.07051	9.7
69.63999	15.2
72.15778	2.6
79.05478	13.7
81.04783	2.3
81.07053	26.6
83.08598	7.3
85.06543	2.5
87.28786	2.2
91.05479	20.7
93.07030	29.8
95.08597	43.1
97.06500	3.8
98.21449	5.2
99.08078	13.9
105.07017	53.4
107.08585	56.8
109.06505	5.5
109.10158	26.5
117.07001	7.7
119.08566	100.0
121.06490	9.1
121.10124	35.0
122.15852	2.4
123.08031	8.5
123.11700	4.5
129.06978	6.8
131.08546	56.1
133.10129	56.9
135.08057	5.6
135.11684	20.6
137.09557	4.3
137.63167	2.4
139.07462	3.0
142.07758	3.4
143.08537	17.5
144.09315	2.6
145.10107	59.2
147.07997	6.3
147.11673	53.2
149.09639	4.2
149.13232	10.7
155.08488	4.2
156.09296	5.2
157.10097	23.9
158.10922	3.5
159.08034	3.0
159.11681	40.0
161.09621	11.3
161.13242	19.9
163.11154	6.7
163.14832	12.5
169.10054	8.9
170.10890	7.0
171.11641	16.7
172.12479	3.7
173.13249	49.4
175.14815	46.2
177.12788	4.8
177.16325	6.3
179.14346	2.6
183.11684	10.0
185.13234	36.9
187.11205	2.9
187.14803	81.8
189.12735	10.2
189.16348	14.5
191.14302	39.3
195.11612	3.1
195.13771	3.2
196.12469	2.4
197.13226	8.8
199.14824	38.6
201.12680	3.3
201.16386	66.7
203.14259	18.4
203.17924	5.9
205.12238	2.8
205.15837	7.6
207.13792	4.6
209.13283	4.1
211.14769	9.8
213.16376	22.1
215.14163	13.2
215.17822	4.7
217.12199	3.9
217.15858	8.8
219.13762	10.1
219.17345	11.9
223.14818	4.1
225.16452	3.9
226.80151	2.3
227.14284	2.3
227.17931	3.5
229.15799	5.2
233.15308	5.9
235.13284	9.9
239.17885	4.2
241.19487	4.2
245.15392	8.6
247.16907	3.4
249.14713	16.4
251.17912	3.3
253.19543	6.7
259.16989	3.9
267.21051	4.1
275.16687	2.5
277.19333	2.6
305.22687	3.9
307.24207	7.5
353.24695	8.8
373.28809	6.8
375.30463	4.8
381.27826	3.1
391.29959	36.6
393.31351	9.7
401.28354	2.8
409.31125	14.5
419.29465	27.4
421.30804	5.0
437.30453	52.9
438.30890	2.8
439.32498	3.3
455.31226	16.1
465.29773	9.2
483.31036	8.4
501.31940	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	501.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.4
55.01861	3.0
55.05508	16.9
57.03436	2.8
57.07059	4.6
63.97285	2.0
67.05499	21.7
69.03419	3.7
69.07063	17.0
69.92558	14.1
69.98251	1.8
70.06564	5.8
71.04966	2.8
75.88135	2.1
79.05489	22.8
81.03413	7.0
81.07048	30.9
83.04971	4.8
83.08604	9.6
85.02900	6.1
85.06479	4.3
91.05468	29.5
93.07033	42.2
95.04958	10.4
95.08595	42.0
97.06538	7.6
97.10155	6.1
99.08076	9.6
105.07014	64.2
106.07361	3.0
107.04940	5.2
107.08578	59.6
109.02876	4.0
109.06487	9.2
109.10124	32.7
111.08047	6.0
113.49170	2.0
115.05453	3.6
116.06252	2.4
117.06296	2.3
117.06975	13.5
119.08566	100.0
121.06501	14.9
121.10128	39.2
123.08064	6.6
123.11710	9.4
125.09651	5.3
127.03954	2.3
128.06203	5.0
129.06984	9.0
131.04889	3.5
131.08546	54.3
131.09453	4.2
133.06544	2.6
133.10106	55.2
135.08078	11.3
135.11690	18.7
137.05930	4.3
137.09561	6.0
141.07022	3.7
142.07761	4.0
143.08524	23.5
144.09250	2.9
145.02846	3.7
145.06476	4.9
145.10101	68.3
147.04425	3.3
147.08032	9.4
147.11665	57.5
149.06039	3.8
149.09599	7.2
149.13222	9.2
155.08545	8.4
156.09348	8.6
157.10098	28.8
158.10799	2.7
159.08015	5.5
159.11665	41.7
161.09618	11.3
161.13213	20.7
163.03952	2.4
163.07600	3.4
163.11130	11.0
163.14787	13.4
165.12750	2.9
167.08496	2.7
168.09334	2.7
169.10068	10.4
170.10907	5.1
171.08083	2.2
171.11652	18.8
172.12378	2.5
172.44423	2.0
173.09583	4.6
173.11845	4.0
173.13246	46.1
175.11211	6.2
175.14789	39.1
177.05450	7.0
177.12753	5.6
177.16409	9.8
179.14302	3.1
181.10046	5.4
183.11679	15.1
185.09663	3.0
185.13240	29.7
186.13905	2.3
187.07535	3.3
187.11115	3.7
187.14807	67.9
189.12761	13.9
189.16376	9.6
191.14284	33.4
195.11725	6.1
195.13814	2.5
197.13278	8.6
199.11105	4.7
199.14790	30.4
201.12787	6.2
201.16359	51.2
203.14305	14.3
203.17966	6.5
205.15843	11.4
207.13742	3.8
209.13197	5.0
211.14813	8.3
213.16327	14.7
215.14363	11.2
215.17838	2.8
217.12093	4.5
217.15906	7.9
219.13829	7.3
219.17413	10.4
221.15388	3.5
223.14944	3.6
225.16420	5.2
227.14337	3.2
227.17976	5.9
229.15796	4.6
231.13858	4.6
231.17442	3.2
233.15364	3.9
235.13280	9.6
237.16492	2.7
239.17892	3.8
243.17490	2.1
245.15382	9.2
247.16844	5.9
249.14661	10.8
251.18007	4.5
253.19479	4.1
255.17316	2.7
257.15335	4.2
266.36224	2.3
267.20975	2.1
273.18445	3.5
275.16483	2.5
279.21103	2.6
283.20779	2.3
307.24411	3.7
309.25580	2.3
325.25064	2.8
329.06461	4.2
331.08368	2.4
336.80026	2.4
353.24609	5.8
373.28635	5.0
375.30688	4.5
381.23795	3.2
391.22415	2.6
391.29919	22.0
393.31561	9.0
401.28714	3.4
409.23615	6.4
409.31247	11.0
419.29443	23.1
427.24908	2.4
437.30548	44.8
438.31171	2.6
447.28979	3.0
455.31549	23.3
465.30148	10.9
483.31723	14.4
501.11945	2.4
501.31647	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	503.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
54.39085	0.6
55.01852	3.3
55.05485	1.3
56.96563	5.9
57.03416	1.9
58.99855	0.9
61.02896	2.4
65.03915	1.8
67.05473	3.4
69.03419	8.8
70.06592	1.0
71.44346	0.8
71.44680	1.4
73.02895	2.1
73.04699	1.0
77.00878	1.0
79.05486	10.1
81.03398	9.7
81.07045	7.3
82.99831	1.0
83.04961	2.4
84.08139	1.2
84.96001	3.9
85.02893	9.1
87.04432	2.5
91.05433	7.7
93.07018	1.4
94.99835	0.8
95.04949	10.5
95.08596	0.8
97.02876	6.7
98.06050	1.5
98.97573	9.9
99.04382	1.0
101.00848	4.4
105.00347	1.7
107.04939	5.8
109.02838	2.7
109.06499	3.6
110.97546	2.6
111.04455	3.7
113.00880	2.3
115.02409	1.9
116.98596	5.9
119.01905	14.6
119.04928	4.4
120.01950	0.9
120.97998	1.1
121.06482	1.6
123.04401	16.2
127.03902	2.4
128.98587	5.0
129.10240	0.7
131.01880	14.2
131.04890	2.4
132.10123	0.9
133.03433	2.2
134.99626	2.2
135.04391	5.4
137.02911	2.8
137.05975	2.3
139.02330	0.9
140.02272	0.8
140.98616	1.0
143.00140	1.1
143.01869	6.5
145.03412	5.3
145.04971	0.9
146.99626	3.2
147.03355	1.0
147.04344	5.6
149.01173	0.9
149.02913	3.5
149.05965	2.5
151.07431	0.9
154.03473	1.2
155.01855	12.1
157.03452	5.4
158.99620	4.9
159.01407	0.9
159.05029	0.9
161.01247	2.0
161.02916	9.8
165.00620	0.8
165.04092	1.1
165.05443	2.6
167.05557	1.0
167.06963	1.0
168.02792	0.9
169.03467	5.5
169.08551	1.2
170.99802	1.0
171.04984	2.3
173.02931	33.9
174.99152	1.2
175.02364	1.0
175.04530	1.7
177.00677	6.2
177.02425	5.0
179.00125	0.9
179.02119	1.3
181.03442	6.4
183.01353	2.2
183.04977	5.3
183.06488	2.0
185.01328	1.4
185.02896	3.9
185.06555	1.1
187.04507	1.9
189.00581	1.0
191.02029	1.6
191.03946	1.8
193.00182	1.3
193.03450	14.4
195.01736	1.2
195.03416	1.8
195.05022	4.0
196.04712	0.9
197.01173	2.8
197.02977	3.1
197.06525	1.3
199.02834	1.4
199.04468	6.5
200.04286	1.4
201.02419	39.5
201.04308	1.9
203.03922	6.9
205.00113	1.2
205.03474	3.0
207.05161	1.7
209.02930	2.8
211.02661	1.0
211.04478	20.0
213.00615	0.9
213.02443	1.8
213.06027	1.6
215.03949	2.2
217.03433	2.4
217.05417	1.1
219.01823	5.0
219.03468	100.0
220.03690	2.6
221.01181	1.0
221.03024	1.1
221.05000	12.7
221.06882	1.1
223.02739	1.5
223.04504	10.9
223.30843	0.8
224.04250	0.9
225.02356	0.9
227.02104	1.4
227.03973	1.4
229.05499	2.4
231.03458	1.7
233.01241	1.0
235.04506	10.8
237.02626	7.2
237.04367	1.2
239.01996	1.6
239.03961	2.5
241.03618	1.2
241.05746	1.3
242.05098	5.6
243.03426	1.7
245.05119	4.0
247.04463	6.7
249.06235	2.1
253.05550	4.2
255.03476	1.8
257.05008	2.7
259.04395	1.0
261.04495	14.1
263.03961	1.1
265.05606	9.7
271.06577	3.9
273.08344	1.8
275.03882	2.7
277.05551	2.1
279.05630	3.8
281.04956	3.3
283.06622	5.8
291.07239	0.9
293.05023	7.2
295.06580	1.7
299.06171	3.8
301.07504	2.3
302.07184	1.5
303.05573	4.1
305.04889	1.8
307.06570	1.8
309.08377	1.8
311.06113	6.3
321.06558	5.2
321.58374	1.0
323.06284	3.9
337.07535	3.1
341.07166	4.8
349.07751	1.5
355.08545	1.5
359.07666	1.3
367.08643	1.6
383.08099	7.8
385.09601	3.4
403.10852	8.1
419.08511	1.4
473.10788	1.8
485.10800	2.1
503.11996	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.4
61.02909	1.5
62.17859	0.9
69.03415	3.2
70.84988	1.3
70.85356	3.7
78.72934	1.0
79.05476	1.7
81.07039	2.6
85.02901	6.7
86.09717	1.3
91.05474	3.8
93.07011	1.4
94.04168	3.0
95.08620	1.4
97.02872	1.4
103.05463	1.3
105.06998	5.8
107.08659	1.4
109.06483	2.8
111.54929	1.0
115.05457	3.3
119.08527	2.5
122.03643	6.7
127.03864	2.0
128.06181	2.3
129.07001	2.2
131.04906	1.6
132.05698	2.2
133.06464	4.8
133.10136	1.3
137.05951	100.0
145.04984	1.4
145.10114	1.4
146.03622	1.4
147.08018	3.0
149.05995	1.3
149.09593	1.2
156.05692	1.1
159.08005	2.8
159.11511	1.0
160.05229	1.7
161.05965	15.3
163.07561	1.2
172.05081	1.2
175.07513	32.1
180.12378	1.0
181.47473	1.1
184.05063	1.8
187.07524	8.4
190.07671	1.4
191.08510	6.2
199.07512	9.6
202.07803	2.2
203.08539	5.2
218.07303	1.8
218.12219	1.1
219.08014	10.4
231.08005	6.0
233.09708	1.1
236.08267	1.4
247.07529	4.0
248.08354	3.9
251.10626	11.3
259.07532	4.4
260.08270	1.7
261.09637	1.2
263.10718	4.4
277.08569	2.8
279.10117	8.7
291.10080	8.3
292.10867	2.3
293.08121	1.1
295.13348	1.7
311.12708	23.1
311.16055	1.7
323.12683	15.7
375.71469	1.3
503.19141	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.9
55.01851	1.4
57.03421	1.3
60.94534	0.9
61.02906	2.7
66.34940	0.8
67.01048	0.8
69.03423	6.4
69.40221	7.5
69.40640	2.1
73.02912	0.8
75.16216	0.8
79.05484	1.4
81.03410	4.1
85.02893	14.3
87.04449	1.7
87.41651	0.8
88.01714	0.8
91.05458	3.2
94.04163	3.0
97.02872	6.4
103.05428	3.0
103.17536	0.7
105.07015	2.8
109.02881	1.8
109.06486	2.4
109.36351	0.8
115.05434	3.1
117.06966	1.0
119.08546	2.3
122.03635	5.8
127.03876	2.6
128.06206	3.5
129.06956	1.9
131.04909	3.8
132.05681	2.1
133.06438	2.2
137.05952	100.0
138.06294	1.3
141.06924	2.1
145.04987	1.9
145.06383	1.0
147.08017	3.2
149.05946	1.9
159.08009	1.4
160.05186	1.6
161.05951	11.7
163.07547	6.5
175.07518	39.1
177.65883	0.9
184.05119	1.7
187.07520	5.1
188.08034	0.9
190.07741	1.1
191.08525	4.8
199.07523	15.0
201.09135	1.1
202.07758	4.9
203.08519	8.1
218.07246	1.2
219.08040	8.6
220.08803	2.6
231.07994	11.0
232.08841	2.3
235.11061	1.0
247.07541	3.7
248.08258	2.9
251.10617	7.2
259.07559	5.0
260.08163	2.4
263.10748	4.8
264.07797	0.9
265.08569	1.7
276.07755	2.6
277.08545	3.5
279.10123	7.5
291.10132	11.6
292.10928	4.4
293.07986	1.0
295.13242	2.3
308.10510	2.0
311.12741	20.4
323.12723	21.9
325.14377	1.8
339.28806	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01858	1.7
57.03413	2.7
61.02911	3.2
67.05487	1.2
68.52126	0.8
69.03424	8.5
69.07034	1.7
69.71019	1.3
69.71433	4.9
71.04996	1.3
71.63064	0.9
73.02884	1.2
75.14610	0.7
79.05476	2.1
81.03414	5.0
81.07035	2.4
81.25749	0.9
85.02889	23.6
86.09701	0.8
87.04476	1.0
91.05441	4.2
93.07018	1.9
94.04163	3.1
94.63894	0.8
95.04996	1.1
97.02885	7.8
99.04436	2.2
102.84694	0.8
103.05432	3.5
105.07016	3.5
107.04934	0.9
107.08527	0.8
109.02853	2.4
109.06512	1.9
110.04343	0.7
115.03851	1.0
115.05418	1.9
119.04942	1.7
119.08568	2.4
121.10074	1.2
122.03629	7.4
123.04444	0.9
127.03860	4.1
128.06200	0.9
129.06989	2.7
131.04898	3.5
133.06471	2.8
137.05952	100.0
138.06288	1.2
143.08525	1.1
145.04887	2.4
145.10068	1.0
147.04410	1.5
147.07990	1.9
149.05933	1.2
151.07532	7.2
153.05394	1.0
157.06445	1.7
158.07259	1.5
158.92418	0.9
159.08038	0.8
160.05212	1.5
161.05960	8.3
163.07516	6.1
167.06984	1.6
171.08054	1.3
172.05159	1.6
174.06746	3.1
175.07512	18.3
177.05417	1.6
179.06947	1.3
184.07283	1.3
187.07516	20.5
189.09059	6.7
190.07782	1.0
191.07016	0.9
191.08545	2.7
199.07512	5.8
201.09094	8.6
202.07736	2.1
203.08563	4.5
205.06569	1.1
210.30911	0.9
217.08551	7.4
218.07188	1.4
219.07971	4.3
220.08740	1.1
231.08066	3.5
233.09537	1.2
235.07436	1.8
236.08354	1.0
237.09010	1.3
247.07578	4.2
247.09892	0.9
248.08344	3.2
249.09160	1.0
251.10583	6.3
253.08397	0.8
256.11954	0.8
259.07501	2.5
260.08408	1.4
261.09079	1.7
263.06961	0.9
263.10571	4.3
264.07715	1.8
265.08490	1.3
271.09485	1.0
276.07828	2.4
277.08585	1.8
278.09521	1.3
279.10083	7.3
291.10040	10.3
292.10883	1.5
293.08127	1.8
293.11359	1.3
296.10425	3.1
308.10452	1.3
311.12729	16.2
323.12723	16.8
325.14224	7.4
341.13721	9.1
381.81717	1.0
480.16891	0.9
503.20572	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	503.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
55.01857	1.3
55.05491	1.4
57.03415	1.8
61.02921	3.1
65.03925	1.1
67.05492	2.0
69.03415	9.3
69.07047	1.3
69.79933	1.7
69.80344	2.1
70.06593	0.5
71.04967	1.3
73.02897	1.2
73.04709	0.7
79.05484	3.4
81.03410	3.5
81.07049	4.6
83.04951	1.5
83.08609	1.0
85.02893	17.4
85.06551	0.5
87.04419	1.5
91.03941	0.9
91.05441	5.4
91.50788	0.6
93.07037	4.4
94.04170	3.4
95.04940	2.1
95.08606	3.1
96.04536	0.5
97.02877	6.0
97.06523	1.0
98.21478	0.6
99.04409	1.0
99.08049	1.7
99.44548	0.5
103.05437	3.3
104.06232	1.0
105.07008	7.4
107.04932	1.9
107.08567	4.9
109.02855	2.9
109.06503	4.0
109.10134	2.3
109.73960	0.5
111.04430	0.9
115.05418	3.4
117.06985	2.5
118.04112	0.7
119.04902	1.3
119.08561	8.2
121.06474	1.5
121.10110	3.8
122.03641	7.3
123.08058	1.4
123.11633	1.3
125.09637	0.7
127.03912	3.9
128.06223	3.1
129.06995	1.7
131.04878	4.5
131.08540	3.4
132.05693	2.5
133.06480	2.7
133.10130	3.8
135.04375	0.6
135.08012	1.2
135.11646	1.7
137.05951	100.0
138.06245	1.0
141.06956	1.4
143.04893	1.2
143.08531	2.9
145.04961	1.8
145.06476	1.7
145.10109	4.4
146.03592	0.8
147.04411	2.5
147.08006	3.5
147.11668	3.3
149.05956	2.1
149.09581	1.4
149.13260	0.7
151.03885	0.8
151.07562	1.0
156.09241	0.8
157.10095	2.4
159.08014	2.5
159.11578	2.9
160.05186	1.0
161.05952	13.1
161.09593	1.5
161.13274	1.9
163.03783	1.0
163.07530	7.9
163.14775	0.7
167.05588	0.6
167.07025	1.3
169.06465	0.9
169.10139	1.1
171.07974	1.2
171.11664	1.9
173.05959	0.6
173.09612	0.8
173.13220	4.1
173.36708	0.6
175.07523	36.4
175.14830	1.3
177.05460	1.1
177.08989	0.8
177.16360	0.8
179.07065	0.7
181.10045	0.7
183.11714	1.5
184.05186	1.6
185.05876	0.7
185.13315	1.5
187.07487	5.8
187.14801	4.6
189.09088	1.4
189.12849	0.8
189.16417	1.5
190.07750	1.1
191.08537	5.7
191.14235	1.3
192.09258	0.8
197.13187	1.3
199.07516	15.1
199.14874	1.2
200.07768	0.6
201.09111	1.9
201.12686	0.8
201.16302	1.7
202.07767	4.5
203.08537	8.1
203.14316	1.3
205.15857	1.8
211.14751	0.9
213.16290	0.8
215.14331	0.7
218.07320	1.2
219.08028	8.2
220.08786	2.6
221.06032	0.6
223.14864	0.8
231.08026	10.4
232.08823	1.6
233.09488	0.8
233.15421	1.2
235.07506	0.8
235.11134	0.9
236.08296	0.9
237.09071	0.8
243.07780	0.6
247.07411	3.4
248.08267	4.5
249.08995	1.5
251.10628	7.0
252.11272	0.7
253.08301	0.6
259.07513	6.7
260.08282	2.7
261.09137	1.3
263.10638	6.3
264.07874	0.7
265.08563	1.4
269.18848	0.6
275.06952	0.8
276.07813	3.5
277.08386	3.2
279.10065	7.4
280.10800	1.3
291.10126	12.8
292.10873	5.7
293.08145	1.3
295.13275	2.4
296.10312	0.7
299.06104	0.7
308.10464	1.4
309.11087	0.7
311.12723	14.6
323.12704	22.6
325.14203	1.8
400.77396	0.6
403.29727	1.3
409.31094	0.9
421.30817	2.7
439.32156	1.4
457.33109	1.8
467.31577	2.4
485.32489	1.2
503.19034	0.9
503.33536	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	503.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.2
57.03434	1.6
67.05491	4.2
69.03426	8.3
69.07047	3.5
69.56707	10.9
70.06578	2.3
71.04984	2.0
72.08151	2.0
79.05479	4.7
81.03402	3.7
81.07038	9.3
83.04957	3.2
85.02896	13.9
85.06551	2.0
86.09686	1.6
91.05441	8.2
93.07040	11.4
94.04149	2.6
95.04942	3.3
95.08598	7.0
97.02869	8.5
98.20753	2.8
99.04439	1.7
103.05452	2.6
105.07024	15.4
107.04932	1.9
107.08569	10.2
109.06481	4.6
109.10139	3.3
111.08074	1.5
115.03904	2.3
115.05421	3.8
117.07047	3.2
119.04906	1.9
119.08579	14.7
121.06485	4.2
121.10149	8.8
122.03634	8.6
123.08051	4.5
127.03899	3.2
128.06235	1.6
129.06995	3.0
131.04944	3.1
131.08591	7.6
132.05713	2.3
133.06470	3.8
133.10089	7.5
135.08020	2.6
135.11674	2.7
137.05960	100.0
137.09612	4.8
138.06348	1.6
142.07764	2.2
143.08580	2.6
145.06453	2.9
145.10095	10.8
147.04378	4.3
147.08023	4.9
147.11679	4.5
149.05922	2.4
149.09637	3.5
149.13226	4.4
151.11136	6.9
155.08502	2.0
157.10101	4.9
159.08012	2.2
159.11674	8.4
161.05963	14.8
161.13257	3.9
163.03867	2.6
163.07564	3.4
165.12740	12.3
167.07027	5.0
171.11670	3.3
172.05330	1.7
173.13271	5.6
175.07526	30.4
175.14828	5.4
183.11658	2.4
185.13229	4.2
187.07504	8.3
187.14818	5.8
189.16377	2.1
190.07635	2.8
191.08551	5.4
191.14326	6.3
193.15822	2.2
197.05983	1.6
199.07539	9.4
199.14799	5.9
201.16409	4.2
202.07764	3.2
203.08530	4.8
203.14302	3.9
205.15802	5.5
209.15366	32.8
213.16289	2.5
217.15833	5.5
219.08025	9.7
220.08803	3.2
221.15231	2.3
231.08080	7.9
236.08081	2.1
237.02853	2.1
247.07559	4.6
248.08261	2.4
251.10660	10.0
259.07437	3.0
260.08289	2.0
263.10629	2.5
276.07697	2.5
279.10165	9.4
291.10184	11.3
292.10785	3.1
299.06201	3.9
311.12714	21.1
323.12744	16.1
324.12878	1.6
328.08282	1.8
373.15332	2.7
403.30313	2.1
421.31042	2.0
449.30688	3.1
467.31656	2.8
503.20636	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	503.2479
Annotation	Eriojaposide A
Peak:m/z	Relative Intensity
55.05492	3.2
57.03434	1.6
67.05491	4.2
69.03426	8.3
69.07047	3.5
69.56707	10.9
70.06578	2.3
71.04984	2.0
72.08151	2.0
79.05479	4.7
81.03402	3.7
81.07038	9.3
83.04957	3.2
85.02896	13.9
85.06551	2.0
86.09686	1.6
91.05441	8.2
93.07040	11.4
94.04149	2.6
95.04942	3.3
95.08598	7.0
97.02869	8.5
98.20753	2.8
99.04439	1.7
103.05452	2.6
105.07024	15.4
107.04932	1.9
107.08569	10.2
109.06481	4.6
109.10139	3.3
111.08074	1.5
115.03904	2.3
115.05421	3.8
117.07047	3.2
119.04906	1.9
119.08579	14.7
121.06485	4.2
121.10149	8.8
122.03634	8.6
123.08051	4.5
127.03899	3.2
128.06235	1.6
129.06995	3.0
131.04944	3.1
131.08591	7.6
132.05713	2.3
133.06470	3.8
133.10089	7.5
135.08020	2.6
135.11674	2.7
137.05960	100.0
137.09612	4.8
138.06348	1.6
142.07764	2.2
143.08580	2.6
145.06453	2.9
145.10095	10.8
147.04378	4.3
147.08023	4.9
147.11679	4.5
149.05922	2.4
149.09637	3.5
149.13226	4.4
151.11136	6.9
155.08502	2.0
157.10101	4.9
159.08012	2.2
159.11674	8.4
161.05963	14.8
161.13257	3.9
163.03867	2.6
163.07564	3.4
165.12740	12.3
167.07027	5.0
171.11670	3.3
172.05330	1.7
173.13271	5.6
175.07526	30.4
175.14828	5.4
183.11658	2.4
185.13229	4.2
187.07504	8.3
187.14818	5.8
189.16377	2.1
190.07635	2.8
191.08551	5.4
191.14326	6.3
193.15822	2.2
197.05983	1.6
199.07539	9.4
199.14799	5.9
201.16409	4.2
202.07764	3.2
203.08530	4.8
203.14302	3.9
205.15802	5.5
209.15366	32.8
213.16289	2.5
217.15833	5.5
219.08025	9.7
220.08803	3.2
221.15231	2.3
231.08080	7.9
236.08081	2.1
237.02853	2.1
247.07559	4.6
248.08261	2.4
251.10660	10.0
259.07437	3.0
260.08289	2.0
263.10629	2.5
276.07697	2.5
279.10165	9.4
291.10184	11.3
292.10785	3.1
299.06201	3.9
311.12714	21.1
323.12744	16.1
324.12878	1.6
328.08282	1.8
373.15332	2.7
403.30313	2.1
421.31042	2.0
449.30688	3.1
467.31656	2.8
503.20636	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	503.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.4
55.01859	4.1
55.05503	21.6
55.61002	0.8
57.03421	4.8
57.07064	1.6
59.04966	1.6
61.03860	0.8
65.03919	4.3
66.04691	0.8
67.05494	67.6
69.03400	2.5
69.07054	12.4
70.31177	4.6
71.04955	3.9
73.02889	1.0
73.06516	0.9
77.03890	1.1
79.05479	53.3
81.02959	0.8
81.03403	13.1
81.07043	43.8
83.04964	10.5
83.08602	7.9
83.38546	0.8
85.02866	1.4
85.06512	2.1
86.09669	2.3
91.05460	45.6
92.05752	1.4
93.07028	39.2
95.04950	33.6
95.08022	1.5
95.08591	27.0
97.02871	1.1
97.06491	5.7
97.10122	3.3
98.98418	3.1
99.08070	1.1
103.05421	2.6
104.26504	0.8
105.04456	1.4
105.07013	33.4
107.04262	1.7
107.04939	31.4
107.08576	20.3
109.06498	6.7
109.10139	22.6
111.04364	1.1
111.08026	3.7
115.05402	2.3
117.06999	13.8
119.08566	24.9
120.05692	0.9
121.06500	5.3
121.10104	9.9
123.08042	6.4
123.11642	1.4
125.05927	1.3
125.09586	2.1
127.07495	1.1
128.06139	1.7
129.06982	8.4
130.07745	1.0
131.04829	1.2
131.08542	14.1
133.06442	2.0
133.10118	14.4
135.08052	4.1
135.11708	6.1
137.09578	2.0
137.13120	1.1
141.06926	2.8
143.08519	8.1
145.06367	3.6
145.10106	15.6
147.07993	2.0
147.10561	1.5
147.11662	17.6
149.09531	2.8
149.13187	2.5
151.11166	1.3
153.09029	1.3
155.08510	1.6
157.10034	3.6
159.07977	2.0
159.11668	9.3
161.09659	4.5
161.13229	6.4
163.11140	2.2
163.14737	1.1
167.05479	2.8
169.10048	3.6
171.07988	1.2
171.11661	14.7
173.09482	1.4
173.11665	3.2
173.13176	4.1
175.11101	0.9
175.14746	2.7
177.12698	4.7
177.16338	1.6
179.14273	5.0
181.10048	1.3
183.11624	1.2
184.07249	5.2
185.13168	2.3
186.96674	3.9
187.11101	3.0
187.14793	4.1
189.11139	1.4
189.12669	4.0
189.16319	1.5
191.14204	1.2
195.11621	1.1
197.13298	1.7
199.11269	1.0
201.12692	1.1
201.16234	1.3
203.14236	0.9
204.97783	2.3
205.10344	1.1
205.12213	12.4
205.15736	1.9
207.11983	1.4
207.13745	11.2
209.15450	1.0
215.14339	1.2
217.15764	1.1
223.13242	37.2
223.16678	1.8
229.14153	1.8
233.15329	1.5
235.16846	0.9
239.17845	1.9
257.18857	3.6
259.20264	1.0
275.19962	8.1
279.15851	5.0
281.17252	3.7
297.16885	1.9
299.06131	1.2
331.26157	3.7
335.18832	1.7
350.48590	0.9
353.19827	1.1
405.29822	1.8
411.24503	1.2
411.52960	0.9
421.31000	1.4
435.27417	1.7
439.31924	2.0
457.32516	3.3
467.31882	2.0
471.17862	2.8
485.19650	2.5
485.26974	1.2
485.32172	3.4
503.29584	100.0
504.29639	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	503.336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.9
55.01848	9.0
55.05485	18.2
55.13558	3.5
57.03425	8.7
65.03928	4.6
67.05488	23.4
69.03401	16.7
69.07040	16.8
70.06562	4.8
71.04954	6.0
71.31351	9.1
79.05468	25.7
81.03391	11.9
81.07033	45.4
83.04951	10.8
83.08578	7.0
85.02874	11.1
85.06520	7.3
91.05433	45.2
92.45573	3.2
93.07031	43.9
94.04044	3.3
95.04946	12.1
95.08589	37.6
97.02879	9.8
97.06492	8.7
98.98442	19.3
99.04459	5.7
99.08052	11.3
103.05422	7.5
105.07009	63.9
107.04918	10.2
107.08578	57.4
109.02880	5.1
109.06496	10.5
109.10114	31.8
109.79824	3.7
111.04430	4.3
111.08012	7.1
112.99325	3.7
115.05438	6.3
117.07008	18.9
119.04903	11.6
119.05741	3.4
119.08555	63.4
121.06472	10.7
121.10134	31.4
123.08014	9.5
123.11689	9.9
125.09573	4.3
127.03930	9.0
128.06146	5.6
129.06981	15.3
129.52356	3.7
130.07750	3.9
131.04874	7.4
131.08545	54.9
133.06448	6.5
133.10118	48.6
135.08017	13.3
135.11658	15.3
137.05957	31.8
137.09529	6.4
142.07776	5.3
143.08511	23.8
145.02779	4.1
145.06523	5.6
145.10092	60.0
146.10568	3.5
147.04353	32.5
147.08015	12.2
147.11674	36.9
149.05952	15.5
149.09554	11.0
149.13214	10.7
151.07538	6.5
151.11108	4.4
155.00963	4.6
155.08490	5.6
156.09348	5.8
157.10115	27.6
159.08008	4.8
159.11697	35.7
161.05968	6.3
161.09602	12.2
161.13234	18.9
162.06699	9.3
163.03751	5.8
163.07541	4.8
163.11093	11.5
163.14760	17.7
167.05563	8.0
169.10074	5.9
171.08064	4.6
171.11623	19.0
173.09592	6.7
173.13245	31.8
175.07524	7.1
175.11156	9.2
175.14795	28.0
177.05380	5.1
177.12592	4.5
179.08430	4.2
183.11646	10.4
185.13268	22.2
187.07361	4.0
187.11124	5.1
187.14780	40.1
189.12651	6.8
189.16290	9.4
191.14253	16.6
197.13231	12.1
199.07503	4.5
199.14774	17.2
201.12730	10.5
201.16325	14.6
203.14252	14.0
205.15747	23.7
211.14880	6.6
213.16364	9.4
217.12195	4.6
219.08099	4.4
219.13734	24.0
219.17351	9.2
221.15242	7.6
223.16878	28.5
229.15709	5.9
232.54503	3.6
233.15392	4.0
236.98468	3.7
239.17926	4.9
253.19450	4.6
255.06477	100.0
256.06888	8.8
257.18918	9.1
275.19977	10.2
299.06149	9.2
331.08371	3.9
331.22760	13.6
349.23962	9.6
403.29861	9.4
421.30954	15.7
439.32056	23.2
449.30502	5.5
457.33279	54.3
467.31430	12.0
485.32767	11.9
503.34030	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3361
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
52.49141	1.4
53.03937	1.5
55.01861	2.4
55.05512	8.2
57.03437	3.6
57.07067	1.6
64.77679	1.3
67.05492	14.7
69.03417	2.2
69.07054	11.6
69.43308	7.7
69.43738	7.1
74.69477	1.3
79.05495	15.0
81.07042	23.3
83.04979	5.2
83.08602	6.4
85.06514	3.3
91.05458	18.1
93.07028	21.0
95.04965	5.1
95.08589	22.6
97.06525	8.9
97.10175	3.3
98.98447	14.9
99.08088	12.1
103.05413	3.4
105.07018	62.5
107.04939	5.3
107.08575	29.2
109.06506	4.9
109.10136	23.4
111.08065	3.1
117.07007	14.0
119.08565	42.5
119.09412	2.6
121.06484	4.0
121.10133	26.5
123.08055	5.0
123.11706	5.1
125.00017	1.5
125.05990	9.1
125.09612	2.2
129.07011	4.6
130.07678	1.5
131.04904	12.0
131.08546	35.3
133.06512	3.5
133.10121	26.6
135.08040	6.6
135.11678	7.9
136.28795	1.7
137.09587	1.7
139.07556	1.6
141.06969	1.6
142.07738	1.7
143.08517	13.4
144.09358	1.3
145.06462	1.9
145.10112	39.8
147.08020	20.1
147.11684	20.2
149.05963	42.7
149.09584	6.4
149.13234	11.5
151.11185	3.9
155.01024	4.0
155.08517	3.4
156.09373	1.9
157.10115	9.3
158.10861	2.3
159.08090	1.7
159.11690	15.7
161.09613	3.5
161.13232	12.2
163.07562	2.0
163.11166	8.0
163.14798	20.6
169.10129	3.6
171.11664	5.4
173.02155	1.8
173.11736	1.5
173.13219	32.6
174.13867	1.6
175.11163	5.0
175.14809	13.9
177.12749	2.0
177.16373	17.6
183.11722	5.6
184.07272	3.0
185.13214	7.4
187.11208	2.7
187.14784	49.6
191.14297	2.9
197.13263	3.3
199.14861	3.4
201.12694	17.2
201.16388	2.8
203.14255	7.7
203.17847	1.8
205.15860	70.9
211.14815	3.0
213.16373	2.8
215.14383	2.0
217.15817	2.2
219.13779	79.0
220.14163	1.7
221.15305	1.6
223.16901	86.4
229.15941	2.0
232.34601	1.3
237.14781	7.5
239.17972	3.6
243.17381	2.0
257.19012	8.1
275.20081	9.5
295.14236	1.4
304.28607	1.6
312.67630	1.4
331.22769	4.8
342.46780	1.5
349.23813	7.5
395.29407	2.8
403.29855	4.6
421.31107	7.7
439.32169	15.6
441.33386	5.2
457.33099	100.0
458.33362	3.6
459.34494	3.4
485.32556	5.8
503.23840	1.6
503.26401	1.7
503.33871	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3359
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
55.05507	6.9
57.07056	2.1
59.04977	1.7
67.05492	10.8
67.22506	1.3
69.07048	5.6
69.58923	4.2
69.59349	8.3
71.04979	1.4
79.05470	6.9
81.07041	16.5
83.04960	4.8
83.08599	4.5
85.06534	2.3
91.05452	10.1
93.07029	15.5
95.04953	4.3
95.08586	20.2
97.06509	2.8
97.87930	1.5
99.08073	8.2
105.07014	24.4
107.08578	25.2
109.06526	2.8
109.10147	25.7
110.88799	1.4
111.08083	2.5
117.07005	4.4
119.08572	39.6
121.06530	2.0
121.10136	19.8
123.08072	3.0
123.11690	6.4
129.06978	3.0
131.08542	16.7
133.06500	5.4
133.10120	39.1
135.08025	6.4
135.11667	10.9
137.09567	2.6
140.97049	1.5
141.07014	1.4
143.08510	9.1
145.06482	2.8
145.10112	24.8
147.08015	2.7
147.11650	12.7
149.09599	5.8
149.13220	3.7
151.11203	4.2
155.08548	3.4
156.09375	2.0
157.10063	7.7
158.10982	1.6
159.08006	3.2
159.11665	15.7
161.09605	28.9
161.13220	7.4
163.07515	5.0
163.11179	3.2
163.14764	2.7
167.08542	2.0
169.10146	3.7
170.10979	1.6
171.07956	1.5
171.11685	10.0
172.12514	1.8
173.09630	5.5
173.13251	21.2
175.11183	5.4
175.14799	13.1
177.09019	2.1
177.16396	3.7
181.10194	2.2
182.11011	1.6
183.11670	4.1
185.09497	1.8
185.13170	6.4
187.11189	4.6
187.14796	38.8
187.47626	1.6
189.12730	5.1
189.16365	12.1
191.14265	6.4
195.11711	2.8
197.13240	6.2
199.11116	2.6
199.14871	4.7
201.12897	1.7
201.16403	2.9
203.14352	5.9
205.15839	15.7
207.11757	2.5
207.17349	1.7
209.13194	2.6
211.14799	3.7
213.12743	3.9
213.16364	3.0
215.14267	17.6
217.15906	4.2
219.13853	2.2
223.14888	1.9
223.16927	4.5
225.16345	2.2
227.17841	1.7
229.15927	3.2
231.17375	1.9
233.13118	2.8
233.15329	30.2
239.17924	2.2
241.19585	1.6
243.17406	1.8
251.16286	10.2
255.17361	2.4
257.19073	1.5
269.19116	2.5
271.20557	1.4
275.19995	1.8
287.20026	2.7
349.25220	5.0
367.26471	3.6
385.27554	1.4
393.31686	1.9
403.29938	6.5
409.31177	2.9
421.30908	16.6
437.30338	2.2
439.32111	24.5
449.30688	3.8
455.31464	10.5
457.33102	37.3
467.31525	21.8
468.31802	1.6
485.32571	62.5
486.33261	2.1
503.33630	100.0
504.33911	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	503.3362
Annotation	CHEBI:67909
Peak:m/z	Relative Intensity
52.11178	1.1
53.19456	1.2
55.05502	4.3
56.94538	1.1
57.07054	1.4
65.03927	1.5
67.05505	8.6
69.07058	5.8
69.43902	5.0
69.44329	7.5
73.67569	1.1
79.05477	5.5
80.95242	1.2
81.07046	14.8
83.04974	4.7
83.08630	1.8
85.06545	2.7
91.05457	7.4
93.07033	11.0
95.04971	4.6
95.08609	13.5
97.06499	2.7
98.20734	2.5
99.08060	9.0
105.07018	22.5
107.08582	19.3
109.06514	4.4
109.10143	16.0
111.08073	2.6
117.07012	4.2
119.08562	31.1
121.06530	2.8
121.10123	17.1
121.15581	1.3
123.08030	3.0
123.11710	5.0
125.09627	1.6
128.28519	1.3
129.07010	2.1
131.08551	16.1
133.06459	5.7
133.10112	30.1
135.08109	4.1
135.11688	10.5
137.09596	3.2
143.08549	8.2
145.06456	2.2
145.10124	19.7
147.08054	2.2
147.11687	9.5
149.09627	4.2
149.13295	3.1
151.11179	2.5
153.09090	1.7
155.08504	1.9
157.10146	7.8
158.10872	1.2
159.08073	3.8
159.11679	11.1
161.09599	20.2
161.13295	5.7
163.07561	4.8
163.11174	3.3
163.14832	3.6
165.12827	1.3
169.10139	2.7
170.10844	1.4
171.11674	5.8
172.12453	1.4
173.09612	2.8
173.13232	18.0
175.11185	4.0
175.14789	10.3
177.16420	4.0
182.11008	1.5
183.11673	5.0
185.13248	7.3
187.11215	4.8
187.14778	35.7
189.12741	5.1
189.16370	11.1
191.10535	1.4
191.14307	5.7
192.85143	1.3
193.15826	1.5
195.11765	2.2
197.13223	5.6
199.11186	1.3
199.14845	4.7
201.12761	3.4
201.16319	1.7
203.12682	1.7
203.14310	7.8
205.15895	13.4
209.13239	2.2
209.15355	1.5
211.14781	3.0
213.12756	1.5
215.14284	14.2
217.15952	1.6
223.14923	1.7
223.16867	6.5
225.16370	2.2
231.17645	1.5
233.15331	20.8
239.18102	1.6
249.14874	2.3
251.16273	6.6
269.18869	1.3
275.19910	1.6
287.20016	2.8
299.06064	1.4
367.26370	2.3
385.27390	7.6
391.24609	3.5
403.29800	2.6
409.30859	1.3
421.30972	11.0
439.32162	15.3
449.30457	4.0
455.31635	2.1
457.26639	2.7
457.33093	54.6
458.32980	2.0
467.31488	11.5
485.32700	15.4
503.24091	3.5
503.33667	100.0
504.34064	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	503.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81271	0.7
54.79161	0.7
55.01856	0.8
55.05501	3.3
57.07059	1.2
58.50319	0.7
63.13325	0.7
67.05496	4.7
69.03426	0.8
69.07072	4.0
71.06465	0.7
71.15853	1.7
71.16193	0.9
72.83707	0.8
79.05484	4.7
81.07047	7.6
83.04966	3.5
83.08614	2.1
91.05453	6.0
93.07035	9.3
95.04970	2.9
95.08592	10.8
97.06532	1.8
99.08086	2.9
99.97779	0.7
105.07018	12.0
107.04942	1.5
107.08578	14.4
107.25787	0.7
109.06505	1.9
109.10124	8.5
111.08067	2.3
117.07003	1.6
119.08562	25.4
121.06471	1.6
121.10117	13.7
123.08044	2.0
123.11707	3.2
125.09642	1.0
129.07011	1.0
131.08534	8.7
133.06476	1.4
133.10115	13.8
135.08031	3.0
135.11678	5.6
137.09586	1.6
139.07539	1.4
143.08559	3.2
145.06467	1.1
145.10107	11.9
147.08017	1.6
147.11668	6.8
149.09598	2.1
149.13235	1.9
151.11151	1.5
153.09050	0.9
155.08485	1.2
156.09338	1.8
157.10138	3.3
158.10918	0.9
159.08008	1.5
159.11685	5.9
161.09639	4.7
161.13239	5.0
163.07520	1.9
163.11191	2.3
163.14809	4.0
167.10686	1.0
169.10107	2.0
171.11667	4.6
173.09634	1.7
173.13237	11.4
175.11240	2.1
175.14854	4.2
177.16377	10.3
181.10094	1.1
183.11702	2.5
185.13307	3.3
187.11160	2.0
187.14798	20.4
189.12778	1.5
189.16351	8.9
191.14331	4.8
197.13225	3.6
199.14833	2.0
201.12737	3.0
201.16435	1.1
203.14354	1.6
205.12454	0.8
205.15875	13.4
205.17717	1.1
207.17418	1.2
213.16350	1.2
215.14287	9.6
217.15849	1.7
219.13910	1.1
223.14896	1.5
223.16876	7.2
227.17911	1.2
231.17418	1.1
233.15340	14.5
241.15851	0.9
243.17361	1.2
246.69754	0.7
249.14828	0.8
251.16187	4.1
261.14865	2.0
269.19028	1.3
279.15955	1.5
315.19724	1.0
391.24380	1.1
403.29971	1.2
421.31064	3.9
439.32126	8.6
449.30508	2.4
457.32990	5.1
467.30975	3.6
485.32492	8.7
503.33633	100.0
504.33945	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	503.336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51549	1.4
52.10730	1.9
55.05498	3.9
55.33381	1.6
57.07079	1.7
66.31810	1.6
67.05482	7.0
69.07060	7.3
70.32392	6.3
79.05478	7.1
81.07051	16.3
83.04953	1.9
83.08603	3.9
85.06550	2.8
91.05461	15.8
92.05767	1.6
93.07030	12.8
95.04955	3.2
95.08585	17.1
97.06513	4.3
99.08063	15.2
103.05441	2.0
105.06332	3.1
105.07014	51.7
105.07725	3.1
107.04951	2.4
107.08572	19.8
109.06512	4.4
109.10151	20.0
111.08018	2.1
117.06979	7.3
119.08567	35.5
121.06507	3.9
121.10119	21.5
123.08053	4.4
123.11677	5.1
125.05938	9.1
129.06978	4.7
131.04901	9.7
131.08531	29.6
133.06476	2.1
133.10101	28.3
135.08035	4.3
135.11673	8.9
137.05939	2.7
143.08556	9.2
145.10104	36.3
147.08032	13.8
147.11676	14.7
149.05968	39.4
149.09598	5.9
149.13232	8.4
151.11159	4.2
157.10114	5.7
158.11002	2.6
159.08047	1.5
159.11671	11.9
161.09576	5.3
161.13252	9.2
163.07465	2.4
163.11140	5.3
163.14792	16.1
168.09360	1.8
169.10123	3.1
171.11681	3.5
172.12415	2.3
173.13237	29.9
175.11205	4.7
175.14818	12.0
177.16382	10.6
183.11737	2.6
185.13257	6.4
187.14795	62.4
188.15126	1.9
189.16324	2.0
191.14206	2.1
199.14825	2.5
201.12727	16.4
203.14218	8.1
205.13934	3.4
205.15852	57.9
205.17734	3.4
211.14742	2.9
213.16359	2.8
219.13773	65.2
220.14197	2.1
221.15317	3.1
223.16898	100.0
224.17175	2.1
229.15875	1.6
236.00641	1.7
237.14865	8.9
275.20267	2.0
349.25220	2.1
403.29916	2.9
421.30890	9.3
439.32156	13.4
441.33649	4.4
457.33093	98.0
458.33371	3.9
459.34634	3.4
485.32358	3.7
503.33780	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	503.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94516	2.0
53.03943	3.1
55.01864	5.7
55.05309	1.8
55.05505	18.0
57.03419	5.9
57.07068	7.5
61.12969	2.0
65.03946	2.3
67.05498	24.1
69.03407	6.6
69.07053	27.0
70.76527	4.7
70.76882	4.3
71.04990	5.2
79.05486	28.5
81.03419	3.8
81.07046	41.0
83.04961	5.7
83.08593	9.9
85.02899	5.1
85.06554	2.9
91.05436	30.0
93.07028	38.6
95.04927	7.1
95.08595	41.0
97.02870	2.6
97.06544	15.3
97.10153	5.1
98.98466	20.2
99.08076	3.3
103.05476	3.1
103.28973	2.4
105.07011	54.3
107.04950	5.6
107.08575	56.2
109.02901	2.8
109.06507	8.9
109.10130	27.9
111.08023	4.6
115.05455	4.2
115.07539	10.8
117.06995	17.7
119.08568	62.3
121.06492	9.6
121.10128	45.2
123.08063	4.5
123.11683	6.0
125.09557	3.6
128.06195	4.4
129.06975	10.1
131.04906	3.3
131.08560	39.5
133.06505	2.4
133.10117	50.8
133.59827	2.1
135.08015	6.8
135.11665	26.6
137.05952	7.7
137.09581	6.2
137.13228	3.9
141.06958	4.7
142.07692	3.1
143.08533	16.9
144.09334	2.6
145.10112	54.0
147.08011	6.4
147.11670	27.2
149.09615	9.5
149.13191	13.4
155.01044	5.7
155.08530	10.2
156.09380	3.1
157.10123	27.1
158.10840	2.8
159.08040	3.9
159.11684	42.0
161.09607	8.5
161.13239	23.2
163.11159	26.8
163.14813	12.4
167.05530	4.0
168.09204	2.5
169.10089	11.0
171.11652	17.0
173.02066	2.7
173.09624	4.9
173.13240	30.0
175.11174	4.9
175.14798	28.6
177.12694	6.3
177.16370	34.2
179.14377	3.1
182.10846	3.3
183.11707	8.6
185.13214	20.1
187.11153	4.5
187.14792	43.3
189.12738	9.4
189.16324	36.8
191.14232	7.6
197.13261	17.1
199.14795	19.0
201.12680	10.9
201.16374	14.6
203.10689	2.9
203.14334	11.4
203.17909	5.1
205.15855	100.0
207.17406	18.4
213.16344	8.0
214.43715	2.3
215.14264	30.1
215.17938	9.0
217.12335	3.3
217.15872	8.7
219.13715	6.8
219.17343	2.7
221.15321	4.0
223.16832	13.6
225.16235	4.3
225.19997	2.8
229.19447	3.1
231.13797	3.3
233.15442	14.0
235.13304	5.2
235.41594	2.4
239.17894	6.5
243.13814	5.9
245.15350	3.2
247.16934	3.0
249.14862	3.2
253.14256	11.1
257.18930	7.6
261.14825	15.1
275.20062	18.0
279.15924	10.4
299.06134	2.4
313.21783	2.3
331.22647	6.5
341.10233	2.4
349.23840	7.0
377.28354	2.8
391.29898	3.0
392.37161	2.4
393.31824	3.2
403.29825	8.7
409.31094	5.7
421.31061	31.4
431.29584	3.7
437.30664	5.2
439.32037	23.7
449.30756	11.0
455.31454	5.5
457.32950	10.1
467.31708	30.6
485.33139	17.1
503.34387	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	503.336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.3
55.05503	22.3
63.72433	8.7
67.05473	20.8
69.03408	27.7
69.07045	22.4
70.92421	26.7
79.05479	26.0
81.07034	48.6
83.04976	17.5
83.08584	9.1
84.70922	9.1
85.02879	17.1
85.06529	10.2
86.07477	9.1
91.05463	47.1
93.07048	60.0
95.04943	16.9
95.08583	53.7
97.02897	18.7
97.06554	16.7
99.08083	21.1
105.07005	82.4
107.08545	73.1
109.06504	20.0
109.10128	38.9
111.08076	19.1
117.06997	17.0
119.08576	100.0
121.10120	60.0
123.08032	16.3
125.09599	10.3
131.08557	74.5
133.10104	63.1
135.07999	18.0
135.11685	23.3
137.05968	23.7
137.09583	11.9
141.20821	9.2
143.08549	33.5
145.10094	86.1
147.04399	17.6
147.07986	9.5
147.11662	57.8
149.06013	22.8
149.09589	11.3
149.13260	16.2
153.34096	10.2
155.08412	11.7
157.10080	29.9
159.08018	12.1
159.11678	55.2
161.09616	16.0
161.13303	19.1
163.11185	17.3
163.14816	22.8
169.10150	14.4
171.11653	23.8
173.13281	43.0
175.07571	14.1
175.14792	36.2
177.16382	31.2
183.11685	19.2
185.13246	35.1
185.32173	9.7
187.14781	70.9
189.16438	13.1
191.14285	23.8
199.14841	37.6
201.12714	18.5
201.16275	15.4
203.14235	26.6
205.15944	57.5
213.16312	11.3
215.14255	13.6
217.15753	23.8
219.13753	48.1
221.15244	11.5
223.14944	17.3
223.16884	70.0
257.19125	15.4
323.12665	10.8
403.29944	15.0
421.30878	21.3
439.31961	26.0
449.30246	13.3
457.33090	82.4
467.31931	15.6
503.33194	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	503.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.7
55.01861	4.4
55.05503	43.2
57.03431	2.4
57.07064	18.0
58.90272	0.9
61.82449	1.0
65.03938	2.0
67.05495	24.1
67.62112	1.1
69.03416	2.2
69.07057	44.9
71.04991	1.7
71.08617	12.8
79.05481	20.2
79.05928	1.4
81.03405	100.0
81.07044	19.4
83.04962	4.6
83.08607	53.8
85.06554	1.1
85.10173	4.3
91.05454	21.1
91.05951	1.3
93.07030	13.0
95.04952	29.4
95.08582	9.0
97.02908	2.2
97.06535	2.9
97.10158	29.8
98.21470	1.7
103.05456	1.9
105.07018	15.3
107.04949	9.8
107.08590	4.5
109.06536	2.7
109.10141	4.7
111.04466	2.1
111.08060	7.4
111.11707	11.3
115.05470	3.1
117.07017	2.7
119.08566	13.1
121.06522	3.0
121.10118	6.5
123.11695	1.2
125.09608	1.4
125.13267	3.3
128.06265	1.2
129.06996	9.9
131.08539	9.2
133.06520	3.2
133.10098	6.6
135.08083	1.1
135.11737	2.7
136.06183	1.6
137.09573	1.1
137.13197	1.8
142.07787	2.9
143.08575	1.5
145.10165	2.5
147.08049	3.5
147.11661	8.4
149.09633	3.6
149.13225	1.6
157.10088	11.5
163.11243	1.3
175.11143	9.3
178.50508	1.2
192.39418	0.9
193.12216	35.4
201.85457	1.0
211.13322	1.4
229.65996	1.1
237.22134	2.9
249.14761	7.3
264.13077	0.9
295.15005	1.1
354.60422	1.2
503.37469	91.7
504.37735	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.4
55.05502	41.3
57.03418	2.6
57.07067	18.1
64.18880	2.0
67.05498	16.8
69.03418	2.3
69.07063	45.5
69.39791	21.6
71.08617	12.9
79.05487	16.1
81.03407	94.7
81.07050	17.1
83.04973	4.4
83.08612	53.1
85.10160	5.6
87.70309	1.9
91.05482	21.5
93.07034	13.1
95.04950	24.4
95.08617	6.8
97.02909	2.3
97.06525	2.5
97.10163	32.2
105.06998	16.0
107.04954	9.7
107.08582	6.1
109.06506	3.8
109.10152	4.0
111.08083	8.7
111.11720	10.1
115.05480	4.2
117.07077	2.2
119.08571	13.0
121.06496	4.2
121.10132	7.8
123.07986	2.2
125.13274	3.4
129.06990	10.4
131.08571	8.0
133.06441	2.6
133.10120	4.2
145.10080	2.2
147.08069	3.1
147.11694	5.9
149.09509	4.5
157.10115	9.5
165.12854	2.0
175.11171	14.9
193.12228	37.0
199.08858	2.0
205.12099	2.1
237.22093	2.9
249.14919	8.4
288.99271	2.2
361.52664	2.2
503.37344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.01856	2.9
55.05507	44.3
57.03404	1.4
57.07067	15.8
57.79897	1.1
65.03934	1.4
67.05496	17.2
69.07061	42.7
69.39625	2.6
69.40033	9.2
70.07408	1.0
71.04993	1.6
71.08629	11.5
79.02828	1.0
79.05481	15.0
80.25058	1.0
81.03407	100.0
81.07042	14.0
83.04960	4.2
83.08611	53.6
84.22275	0.9
85.10178	2.6
91.05464	21.4
93.07035	9.8
95.04958	28.2
95.08588	4.9
97.02882	2.9
97.06503	1.5
97.10161	30.3
97.10809	1.4
105.07021	15.2
107.04940	6.8
107.08591	4.4
109.06526	4.2
109.10103	1.9
111.04443	1.5
111.08070	7.4
111.11703	11.8
117.07005	2.0
119.08564	11.1
121.06495	3.1
121.10139	4.6
123.08041	1.7
125.13250	2.6
128.06250	1.9
129.07007	10.7
130.55009	1.0
131.08575	8.6
133.06494	3.5
133.10133	4.2
135.11687	2.4
139.14761	1.7
142.07794	3.3
145.10110	1.9
146.29324	1.2
147.08047	3.4
147.11664	6.9
149.09608	3.7
157.10091	9.6
165.12782	2.0
175.11201	8.4
191.10478	1.0
193.12227	39.4
237.22150	2.5
249.14885	6.1
389.01694	1.1
503.37308	85.0
504.37558	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	504.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.9
55.01853	8.2
55.05501	16.9
57.03419	3.4
67.05498	26.1
69.03429	14.3
69.07066	11.9
69.67213	4.9
69.67612	13.7
71.04967	6.1
73.02903	2.2
77.53004	1.9
79.05486	34.6
81.03398	21.5
81.06605	2.9
81.07050	40.9
81.68255	2.2
83.04972	3.6
83.08614	5.0
85.02892	43.3
87.00810	13.8
87.92673	2.1
91.05462	47.9
92.05789	3.1
93.07032	37.3
94.07370	2.7
95.04945	7.3
95.08010	2.8
95.08593	46.2
97.02901	17.3
97.06513	3.6
98.98437	7.9
99.04438	8.0
105.01849	11.5
105.02453	2.4
105.07018	100.0
106.07325	5.0
107.04925	3.4
107.07915	3.3
107.08581	43.8
108.08908	3.6
109.02859	18.1
109.06496	7.7
109.10142	30.1
115.05433	2.4
117.01853	3.9
117.06991	9.3
119.04932	3.4
119.08567	64.9
120.08878	3.3
121.06477	6.6
121.10128	15.0
123.08052	3.3
123.11733	4.4
125.09627	2.7
127.03903	23.9
129.06960	6.6
131.08539	8.4
133.06470	10.2
133.10107	26.9
135.11641	7.8
137.05914	4.4
137.09633	3.2
143.08484	6.0
145.04938	9.5
145.10052	5.6
147.04349	11.3
147.08002	10.9
147.11673	25.7
151.07510	8.1
153.09120	3.2
155.00996	2.3
155.08553	2.3
157.10094	3.7
159.02911	10.7
159.11636	13.3
161.09604	5.0
161.13237	62.9
162.13609	4.0
163.03857	3.2
163.14780	4.0
165.09088	6.1
173.13255	2.3
175.11134	3.0
175.14824	12.7
179.10616	3.4
185.13290	6.6
187.14751	2.3
201.16362	3.0
201.64203	2.4
203.14340	18.6
203.17934	34.0
204.14410	2.4
221.15359	46.0
253.22151	2.5
256.09695	4.7
276.20450	3.6
312.67651	2.4
350.24084	5.1
458.33374	6.4
504.34622	3.4
505.90402	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	504.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.8
55.05511	15.0
59.04976	7.3
65.03927	3.5
67.05494	21.6
69.03407	5.9
69.07056	45.4
69.43698	26.5
71.04973	6.8
79.05483	22.2
81.03401	4.2
81.07047	100.0
82.07343	2.4
83.08584	8.3
85.02902	11.4
87.00806	5.9
91.05466	21.3
93.07040	57.4
95.04966	3.4
95.08594	72.6
95.09198	4.3
97.02863	5.8
97.06513	6.5
98.20682	5.5
98.98430	6.8
103.05483	2.6
105.01836	7.2
105.07019	49.1
107.08581	53.1
108.08924	2.6
109.02824	4.6
109.10140	39.4
119.08566	48.6
121.10133	28.8
123.08052	3.1
123.11682	15.7
127.03915	11.3
131.08510	2.8
133.10103	30.3
135.11678	43.4
137.09637	2.5
137.13266	4.7
145.04976	3.6
145.10124	7.9
147.11679	43.1
148.11906	2.6
149.13205	5.3
153.12718	7.0
159.11636	6.9
161.13246	19.2
163.14804	5.7
175.14801	5.6
177.16417	2.6
203.17929	36.5
287.20386	2.6
302.50961	2.5
350.24002	3.0
458.33304	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	505.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.4
53.00290	1.6
53.03940	3.5
55.01852	3.8
55.05507	12.6
55.46247	1.4
57.03421	5.9
57.07070	2.0
59.05019	1.4
65.03926	3.6
67.05142	2.0
67.05498	33.9
69.07050	7.9
69.66748	13.2
71.04982	2.2
75.04486	2.5
77.03911	1.7
79.05483	32.3
81.03399	6.3
81.07043	36.9
83.04959	3.5
83.08606	7.2
91.04917	3.0
91.05464	41.3
93.07034	37.6
95.04980	8.6
95.08600	22.1
97.06527	5.6
97.10165	2.5
98.98450	61.8
99.00803	2.6
99.08059	2.5
101.50540	1.4
105.06326	3.2
105.07009	38.8
107.04927	2.6
107.08577	20.9
109.06498	3.0
109.10148	8.6
111.08028	3.1
117.06999	8.9
119.08561	33.3
121.06493	2.1
121.10134	13.1
123.08063	1.9
123.11686	3.4
128.06137	3.6
129.05489	4.5
129.06943	7.5
131.08556	18.9
133.10110	32.7
135.08057	2.1
135.11681	10.8
143.08539	8.1
144.09177	1.7
145.10117	19.7
147.04359	2.0
147.11659	24.8
149.09518	1.7
149.13254	7.0
151.11183	3.7
155.01021	13.1
155.07028	3.1
157.10109	6.7
159.11679	13.7
161.09567	6.4
161.13219	20.8
163.14771	3.3
171.11682	15.0
173.02071	10.5
173.13258	10.6
173.85428	1.5
175.11208	1.8
175.14828	12.2
177.12788	1.8
179.10570	2.1
185.13232	11.5
187.14787	6.0
189.12730	3.3
199.14827	5.3
207.13809	6.0
215.17973	7.0
217.19481	6.0
225.11174	3.5
229.04720	1.9
231.21170	2.2
241.19487	41.3
243.21043	3.3
247.05858	6.6
259.20532	31.5
275.19897	2.7
315.23190	9.6
333.24200	100.0
366.45465	1.4
413.20828	2.4
469.23956	2.7
487.24081	2.4
505.27856	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	505.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01870	1.7
55.05506	5.7
57.03432	8.2
57.07053	2.0
67.05496	19.7
69.07052	6.2
71.04998	1.4
75.04461	1.3
79.05474	17.4
81.03375	1.8
81.07047	23.6
83.08613	2.6
85.06516	1.2
90.50773	1.0
91.05468	25.1
93.07031	27.4
93.56837	1.0
95.04958	3.3
95.08586	17.8
95.58811	0.9
97.06496	2.0
98.21484	2.4
98.98448	69.6
99.08069	1.0
103.03942	1.8
105.07011	29.5
105.07724	1.7
107.08574	14.7
109.06536	1.3
109.10146	7.0
112.06505	1.0
115.05411	1.1
117.07008	9.0
119.08556	30.2
119.75687	1.1
121.10109	14.6
123.11705	2.2
129.05469	6.1
129.06940	5.5
131.08542	19.4
133.10114	21.5
135.08081	1.1
135.11662	11.5
143.08556	6.5
145.10095	15.3
147.11673	17.2
149.09531	1.4
149.13239	8.8
155.01004	16.3
155.06969	1.6
157.10101	6.0
159.11653	12.9
161.13239	20.9
163.14821	5.0
171.11665	9.1
173.02084	10.4
173.13234	10.3
175.14792	13.3
177.16220	1.2
185.11812	1.4
185.13205	7.9
187.14806	3.1
199.14787	4.5
211.03659	1.4
213.16360	2.4
215.17906	4.9
217.19456	4.6
229.04716	4.2
231.20926	1.4
241.19461	39.7
243.20995	2.4
247.05768	8.8
259.20547	28.3
275.20090	2.8
277.21677	1.2
297.22134	1.6
315.23163	11.2
333.24188	100.0
334.24567	2.3
402.72049	1.1
413.20715	2.4
469.23044	1.4
487.24335	5.3
505.27881	1.8
519.95319	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	8.5
55.01852	4.7
55.05503	29.1
57.03418	12.3
65.03916	3.5
67.05136	4.7
67.05492	78.7
69.07051	17.4
71.04975	4.0
71.08614	16.1
77.03905	2.7
79.05479	100.0
81.03399	10.7
81.07040	73.9
81.07408	1.8
83.04960	16.6
83.08591	10.4
85.06503	3.3
91.05464	82.0
93.07032	97.4
95.04942	28.8
95.08593	39.6
97.06529	7.2
97.10168	3.7
98.98475	11.8
99.08075	10.8
105.07014	55.0
107.04938	10.1
107.08570	28.8
109.06498	8.9
109.10136	10.0
115.05457	2.4
117.06995	14.6
119.08566	32.0
121.06504	3.1
121.10108	10.9
123.08089	4.4
127.07508	2.7
128.06177	4.9
129.06992	22.2
131.08592	6.2
133.10078	13.6
135.11658	7.2
136.99919	2.4
143.08534	11.4
145.10095	17.7
147.11664	54.5
151.11156	5.6
155.01021	8.3
159.11644	3.7
161.09691	5.3
161.13264	25.3
163.11191	5.4
167.88127	2.3
171.11658	40.7
179.14261	22.1
189.12737	17.5
207.13765	43.9
225.14789	7.9
241.19620	2.5
259.20453	3.5
276.90964	2.2
277.21484	15.9
281.17422	60.2
281.20514	3.0
351.25140	27.6
365.50296	2.8
487.24078	3.3
487.30518	53.2
488.30908	3.0
505.27667	3.3
532.46179	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.5
55.05512	18.0
55.47012	2.2
57.03434	11.4
65.03924	2.9
65.80328	2.1
67.05497	63.5
69.07056	12.5
70.01640	4.5
70.02049	11.8
71.04996	3.5
71.84076	2.1
72.90034	2.0
73.06544	2.7
79.05482	100.0
81.03416	9.5
81.07050	50.5
83.04971	15.6
83.08605	10.2
85.06528	4.6
91.05461	81.9
91.25696	2.4
91.69987	2.0
93.07030	95.3
95.04957	30.9
95.08588	30.3
97.06513	8.7
97.10153	3.0
105.07011	57.3
107.04917	6.7
107.08579	28.5
109.06512	10.2
109.10149	7.6
111.08037	2.7
117.06990	13.4
119.08563	30.2
121.06496	3.6
121.10120	7.2
123.08089	8.6
125.49734	1.9
127.09512	2.6
128.06197	3.2
129.07011	19.9
133.06337	2.3
133.10103	15.6
135.11656	2.9
139.41020	2.1
143.08525	13.1
145.10106	14.4
147.08063	4.2
147.11665	50.9
150.53607	2.1
161.09576	6.2
161.13263	17.9
163.11137	3.0
171.11661	43.2
180.38594	2.7
184.07343	6.2
189.12753	21.2
207.13786	54.8
225.14868	5.0
281.17438	75.4
372.85162	2.5
487.30518	66.9
517.04242	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	505.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.5
53.03933	8.8
55.01867	3.4
55.05504	22.4
57.03425	11.6
65.03934	3.6
67.05496	71.8
69.03413	1.4
69.07056	15.7
71.04977	4.3
71.08617	8.2
71.71426	2.5
73.06550	1.7
77.03902	2.1
79.05483	98.0
81.03398	11.3
81.07044	61.6
81.07539	1.4
83.04969	18.4
83.08606	11.9
85.06535	3.8
91.05467	73.9
93.07030	100.0
94.07362	1.7
95.04952	29.3
95.08593	34.7
97.06525	8.7
97.10145	4.8
98.14019	1.3
98.98448	3.9
99.08065	6.5
103.05474	2.4
105.04526	2.6
105.07017	57.2
107.04933	8.2
107.08578	26.5
107.24000	1.3
109.06483	8.8
109.10157	8.6
111.08057	3.0
115.05402	2.0
117.06994	13.2
119.08564	33.5
121.06467	3.7
121.10122	10.5
123.08063	8.8
127.07568	1.9
128.06213	3.8
129.06998	21.1
131.08546	5.4
133.06508	2.1
133.10129	13.2
135.08057	1.4
135.11659	7.3
137.09641	1.5
141.09128	1.9
143.08533	13.6
145.10117	15.5
147.08022	3.1
147.11668	52.9
149.13213	1.7
151.11171	4.9
155.01016	4.3
159.11691	2.6
161.09607	6.1
161.13226	18.2
162.81294	1.3
163.11180	5.7
171.11668	43.7
178.16899	1.5
179.14285	17.1
189.12730	19.3
207.13786	50.9
225.14838	8.3
259.20471	2.3
263.16516	2.3
277.21619	8.8
281.17429	68.2
351.25278	20.6
441.33942	1.8
469.29346	2.4
487.30457	64.4
505.27362	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	9.6
55.01865	4.4
55.05505	24.9
57.03416	8.1
58.61535	1.9
65.03928	5.5
67.05493	69.0
69.07056	14.9
71.14965	3.0
71.15295	4.3
71.97826	2.1
73.06519	2.5
79.05482	100.0
81.03400	8.1
81.06608	4.3
81.07047	56.5
83.04977	18.1
83.08606	7.9
85.02913	2.8
91.05465	80.5
93.07028	91.4
95.04949	24.2
95.08595	33.8
97.06537	7.3
105.04488	2.5
105.07008	58.9
107.04940	7.9
107.08584	22.8
109.06491	9.1
109.10149	13.6
111.08064	3.6
117.07004	13.0
119.08563	35.1
121.06477	3.6
121.10135	7.0
123.08027	8.5
128.06229	4.1
129.06990	22.1
131.08553	5.5
133.10085	13.4
143.08533	13.5
145.10110	13.7
147.10677	2.0
147.11662	57.7
161.09586	9.4
161.13203	21.0
163.11220	4.9
171.11650	44.1
174.60585	2.2
179.14320	4.3
189.12720	21.9
207.13771	51.1
225.14865	9.7
229.14268	3.8
251.76660	2.6
259.20453	4.0
281.17422	71.2
414.96176	2.5
487.30453	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.1
54.44387	1.4
55.01871	2.2
55.05502	23.4
57.03422	7.6
57.07062	6.6
65.03933	3.0
67.05132	2.7
67.05492	49.6
69.07059	18.5
69.43192	16.5
71.04971	2.1
71.08617	3.9
73.06497	1.6
79.05479	48.9
80.33597	1.4
81.03410	8.5
81.07043	33.6
83.04967	10.4
83.08609	16.5
85.06538	1.7
85.10160	1.6
91.04916	2.8
91.05468	44.4
93.06425	2.8
93.07027	50.4
95.04955	15.6
95.08587	21.5
97.06502	2.7
97.10173	7.2
105.07011	30.2
107.04913	3.4
107.08553	12.7
109.06496	3.7
109.10128	12.3
111.08071	1.5
117.06967	8.1
119.08571	22.8
119.40815	1.3
121.06472	2.6
121.10117	5.7
123.08006	4.3
123.11760	1.6
129.07007	13.3
130.07767	1.6
131.08542	3.5
133.10103	10.6
135.11656	4.4
143.08525	6.6
145.10103	9.8
147.11659	28.9
159.11603	3.3
161.09615	4.1
161.13225	10.7
163.11159	3.4
166.09671	1.6
167.86043	1.4
171.11674	23.8
173.11728	4.3
173.13144	2.5
174.98489	1.8
175.14717	1.9
176.99220	3.1
179.14278	2.1
189.12712	12.3
193.12263	1.7
195.00272	100.0
207.13797	26.4
213.00092	2.7
225.14816	4.3
229.14304	6.2
259.20425	7.5
277.21622	2.5
281.17410	41.6
311.25754	16.1
312.25790	1.6
333.24316	4.3
487.30475	40.6
505.25204	10.8
505.39206	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	505.352
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
55.01857	4.3
55.05503	27.4
57.07060	6.0
65.81200	4.5
65.85029	4.8
67.05499	40.5
69.03399	5.9
69.07063	24.6
79.05475	50.0
81.03393	7.2
81.07037	60.7
83.04967	79.8
83.08601	19.6
91.05466	44.9
93.07030	61.2
95.04940	25.5
95.08593	93.6
97.06514	11.0
97.94791	4.6
98.21404	11.1
98.69094	4.4
98.98462	4.9
99.08067	13.1
105.07020	78.6
107.04932	9.5
107.07905	8.4
107.08576	100.0
109.06498	13.9
109.10125	46.9
111.08073	11.7
117.06993	17.3
119.08562	91.0
121.06468	8.3
121.10123	49.5
123.08031	18.5
123.11684	19.4
125.09629	34.9
128.06137	4.9
129.06985	9.9
131.08554	57.8
133.10101	63.6
135.08093	7.0
135.11647	18.9
137.09598	11.1
143.08510	26.3
145.06503	7.1
145.10100	70.3
147.04375	8.0
147.08031	6.8
147.11649	47.8
149.05995	6.9
149.09612	7.3
149.13228	19.1
151.11128	9.5
153.09053	6.6
155.01019	6.0
155.08621	8.8
156.09309	5.8
157.10104	30.7
159.11661	59.4
161.09682	7.2
161.13193	30.1
163.03873	8.7
163.11093	6.5
163.14789	11.3
166.89778	4.5
169.10098	8.1
170.10997	4.6
171.11668	34.1
173.13245	34.2
175.07593	7.5
175.14799	28.4
177.12721	5.6
177.16342	10.9
181.21046	4.5
183.11641	12.7
185.13200	34.3
187.14784	50.1
187.35593	4.5
189.12703	6.4
189.16380	17.5
191.14417	5.8
197.13287	16.4
199.14806	39.0
201.16345	50.3
203.14305	20.3
203.17789	5.5
205.12177	6.8
205.15834	24.5
211.14752	11.8
213.16338	30.2
217.15831	7.0
219.13812	5.9
219.17305	9.6
221.15178	5.5
227.17863	6.8
233.15375	7.6
239.17982	7.8
241.19461	6.9
245.15366	10.3
247.16936	5.4
249.14856	21.0
253.19543	11.9
269.22656	5.5
295.20929	5.0
299.20132	5.3
309.22446	4.7
341.24646	5.0
347.27127	6.0
349.25183	5.0
374.66504	4.2
387.30139	7.7
393.27661	13.4
405.26266	12.5
405.31479	45.3
423.32623	15.6
433.30887	17.1
441.33423	8.9
451.32364	37.9
459.34293	6.8
469.33319	41.1
505.27267	9.9
510.72702	5.0
515.71881	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	505.3515
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
51.56422	5.9
55.01891	5.9
55.05491	12.5
67.05469	21.2
69.03414	11.9
69.07055	15.3
71.04942	6.3
79.05473	12.3
79.08753	6.7
81.07047	37.5
83.08598	6.9
85.02892	16.0
91.05467	30.2
93.07027	43.6
95.04943	7.7
95.08582	43.6
97.06487	6.6
99.08064	12.1
105.07014	51.2
107.08567	52.3
109.06471	7.0
109.10115	25.5
117.06991	12.1
119.08550	100.0
121.06464	8.6
121.10100	36.2
123.08038	10.0
123.11642	18.0
125.09620	9.9
131.08539	40.9
133.10127	39.9
135.08031	13.1
135.11650	17.6
137.05942	16.3
137.09587	10.0
138.09113	8.7
143.08467	20.5
145.10115	47.6
147.04352	8.7
147.11681	45.1
149.09579	10.8
149.13225	15.8
149.52087	7.4
156.09299	7.2
157.10109	18.4
159.11591	31.4
161.05968	7.4
161.09566	6.2
161.13223	18.0
163.03920	12.0
163.14742	11.1
166.08655	10.9
167.10625	7.7
171.11697	19.0
173.13264	30.2
175.14806	25.4
177.16298	9.1
183.11563	7.9
185.13129	11.9
187.14799	62.3
189.09119	7.7
189.16365	19.2
191.14194	13.3
193.15828	14.7
195.11678	8.1
199.14777	17.3
201.16342	43.5
203.14272	18.0
203.82188	6.8
205.15794	17.2
213.16437	13.7
215.17912	9.0
218.05559	6.1
219.17371	13.9
221.15294	21.8
233.19139	6.3
292.11008	7.6
314.32312	6.4
393.31445	9.0
405.31326	23.1
411.32623	7.9
423.32730	32.8
439.31677	15.0
441.33469	35.1
451.31897	24.2
459.34152	8.7
469.33163	29.7
487.34692	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	505.352
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
53.03936	8.8
55.05497	36.0
57.03433	6.2
57.07066	6.7
60.20445	5.2
66.92819	5.3
67.05493	33.8
69.03413	21.0
69.07053	28.3
70.00307	30.8
71.04976	17.2
74.06040	7.8
79.05472	21.5
81.03389	14.5
81.07037	71.4
83.04967	29.3
83.08596	20.3
85.02887	19.8
85.06530	14.0
86.03490	5.8
91.05444	53.3
93.07027	71.6
95.04961	19.2
95.08590	76.8
97.02887	7.6
97.06490	15.8
97.10137	7.3
99.08066	12.6
105.07006	82.2
107.04943	14.1
107.08571	87.9
109.06487	18.4
109.10133	53.6
111.04430	7.2
111.08085	12.7
111.88425	6.2
113.05936	7.6
117.06991	18.7
119.04889	10.8
119.08562	100.0
120.08875	8.9
121.06442	8.8
121.10144	65.7
123.08062	15.9
123.11667	18.2
125.09592	11.2
129.06941	8.5
131.08536	51.6
133.10103	72.2
134.10419	7.8
135.04292	7.0
135.08038	19.1
135.11667	39.9
137.05963	17.8
137.09557	17.3
139.11111	7.9
142.07707	9.7
143.08522	42.0
145.10100	77.8
147.04419	21.0
147.08014	13.6
147.11655	50.7
149.09570	15.3
149.13219	26.8
151.07454	7.4
151.11125	8.7
153.05441	9.2
155.08554	11.0
157.10104	42.5
159.11656	46.4
161.09599	18.7
161.13211	27.7
163.03862	18.0
163.07506	7.4
163.11130	15.8
163.14795	18.2
169.10088	15.8
170.10892	7.5
171.11716	28.3
173.09602	6.8
173.13257	40.5
175.11143	15.3
175.14798	26.6
177.05444	10.0
177.12703	8.3
177.16331	13.5
181.10133	7.5
183.11708	26.0
185.13203	44.7
187.14764	45.7
188.15091	6.2
189.12657	15.1
189.16341	20.7
191.14294	20.6
193.09955	7.2
193.12099	8.9
197.13232	16.0
199.14754	36.7
201.16359	32.0
203.14317	39.4
203.17863	14.7
205.15869	18.4
209.13361	7.7
211.14836	12.8
213.16385	14.5
215.14406	9.8
215.17885	8.8
217.15860	9.0
225.16495	6.1
227.18007	7.7
229.15884	8.8
229.19408	6.6
235.16966	9.8
239.17824	6.9
247.16928	12.8
249.14769	14.7
251.17690	6.4
255.21005	10.8
287.23508	6.1
299.20123	7.1
301.21429	6.6
393.31622	9.9
405.31378	26.9
421.30817	18.0
423.32413	28.4
433.31030	14.1
439.31952	21.9
441.33560	61.4
451.31973	47.5
459.34344	17.7
469.33325	32.4
473.42361	6.7
482.70026	6.1
487.34091	26.9
505.34579	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3514
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
57.01806	10.3
58.38494	9.3
67.05489	13.4
69.56285	100.0
69.56616	24.3
79.05488	17.2
81.07047	24.0
91.05467	16.8
93.07019	40.5
95.08595	38.2
98.21400	22.4
98.61276	9.4
99.08116	17.6
105.06994	56.6
107.08580	51.1
107.36596	11.6
109.10120	19.4
119.08547	93.1
119.24149	11.5
121.10125	36.5
123.08064	12.7
125.09629	14.1
131.08543	52.6
133.10127	42.1
135.11653	15.2
143.08533	12.4
145.10022	50.6
147.11653	79.4
149.13246	22.4
151.08934	10.9
156.09227	11.1
157.10120	29.2
158.10875	12.0
159.11682	50.8
161.13271	20.3
163.14771	15.8
173.13284	40.2
175.14778	20.2
177.16357	20.0
187.14796	47.4
191.14236	13.4
197.13365	13.7
199.14867	25.8
201.16389	53.2
203.14250	11.8
205.15900	27.3
213.16437	14.2
222.96758	10.0
234.85056	10.8
246.48470	11.1
286.54611	12.5
405.31430	15.5
411.29007	24.7
423.32501	25.9
443.73068	11.5
469.33383	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	13.6
57.07081	6.2
64.84051	4.0
67.05497	20.6
69.03426	13.9
69.07061	14.9
70.62139	7.7
70.62534	7.9
79.05487	19.5
81.03413	7.5
81.07051	49.8
83.04981	10.5
83.08601	8.6
85.02871	11.6
85.06508	8.8
91.05457	28.0
93.07018	45.5
95.04977	7.2
95.08594	47.4
97.02854	6.0
97.06519	7.4
99.08071	12.0
105.07016	72.2
107.08572	59.9
109.06491	7.4
109.10143	26.9
109.77143	4.1
111.08012	6.6
117.06969	9.5
119.08553	100.0
121.06532	5.6
121.10139	42.8
123.08055	11.4
123.11705	11.4
125.09606	4.3
129.06967	6.9
131.08542	57.1
133.10085	52.5
135.08084	6.6
135.11653	25.1
137.05916	7.1
137.09578	5.7
143.08553	16.9
145.10106	69.9
147.04443	4.9
147.11664	67.9
149.09616	4.6
149.13225	14.4
151.07428	4.8
153.05426	6.4
156.09355	6.6
157.10075	23.1
159.11688	42.4
161.13251	21.6
163.03928	6.9
163.14801	8.4
165.12733	5.6
171.11684	13.4
173.13234	41.7
175.11238	6.4
175.14812	35.6
177.05452	5.6
177.12758	5.2
177.16371	31.3
181.83165	4.4
183.11646	7.8
185.13246	27.7
187.14786	88.3
189.16423	16.4
191.14328	13.1
197.13377	5.1
199.14771	36.8
201.16371	49.7
203.14302	15.6
203.17880	7.0
205.15874	74.4
211.14862	9.1
213.16368	12.0
215.14343	5.7
215.17889	7.7
217.15833	11.8
219.17366	11.2
221.15289	9.9
225.16490	4.7
304.55316	3.9
365.28659	4.5
387.30258	5.7
393.31448	6.4
405.26691	7.5
405.31552	24.4
423.32443	30.7
439.32034	11.7
441.33420	6.6
451.31909	17.3
469.32986	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97044	3.6
53.03937	4.8
55.05499	17.4
67.05491	20.1
69.03416	6.8
69.07054	20.1
70.92303	5.2
70.92635	10.9
71.04980	5.4
79.05475	20.0
81.03436	6.3
81.07050	44.2
83.04960	7.2
83.08611	8.0
85.02896	8.0
91.05471	31.5
93.07034	52.9
95.04951	5.3
95.08588	67.1
97.06512	8.7
97.10166	4.6
99.08080	20.3
105.07008	73.8
107.08578	66.9
109.06496	7.1
109.10132	30.1
111.08018	7.3
117.07012	17.2
119.08560	100.0
121.06505	10.3
121.10145	52.5
123.08034	10.3
123.11687	12.5
125.05936	4.7
127.03898	4.8
131.08553	52.7
133.10106	62.6
135.04388	5.0
135.07985	7.4
135.11668	30.9
137.05971	17.0
137.09625	7.7
142.07750	6.1
143.08562	18.9
145.10114	69.3
147.04440	9.2
147.08006	6.3
147.11670	54.9
149.09604	10.9
149.13240	18.6
153.05403	5.7
156.09348	7.6
157.10130	29.9
159.11694	42.4
160.52524	4.5
161.09604	11.3
161.13264	31.5
163.03891	9.6
163.14833	15.4
166.08649	6.0
169.10115	14.6
171.11662	25.8
173.13248	34.4
175.07570	7.1
175.11177	8.7
175.14757	37.4
177.12755	8.1
177.16391	37.6
181.05099	5.5
183.11710	12.0
185.13248	25.3
187.14812	85.7
187.16367	7.6
189.16391	28.2
191.14302	16.0
193.15886	10.0
197.13254	15.2
199.14735	37.4
201.12701	8.6
201.16386	64.5
203.14320	23.2
203.17906	9.9
205.15877	55.4
207.17490	4.9
211.14832	10.3
213.16389	18.2
215.14375	5.6
215.17935	13.1
217.15865	14.3
219.17413	15.2
221.15385	12.9
224.37024	4.6
225.16585	4.8
227.17979	5.6
229.15866	7.7
231.17387	6.6
235.16962	4.8
241.19522	5.6
243.17401	5.9
247.16797	6.0
249.18356	6.4
285.14340	4.6
375.30521	6.0
387.30524	8.2
393.31497	13.2
395.33264	9.7
405.31461	38.2
411.32562	15.2
415.30069	4.6
423.32547	47.2
439.31964	21.0
441.28262	5.2
441.33478	26.2
451.31973	29.0
469.33273	33.1
487.33795	6.8
505.34616	5.7
506.19205	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	505.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25977	10.6
53.03935	15.1
55.05500	16.6
57.16043	10.4
67.05511	26.2
68.09093	9.0
69.07058	27.6
69.53922	100.0
72.79192	10.4
79.05489	17.7
81.07046	45.3
83.04960	19.9
91.05460	23.4
93.07017	30.1
95.04925	13.6
95.08585	68.0
98.20676	20.7
105.06999	61.5
107.08578	63.3
107.46907	11.7
109.06503	13.6
109.10149	29.3
112.35590	10.3
112.36404	11.4
117.07035	17.8
119.08579	87.5
121.10111	42.7
123.08044	20.0
131.08530	50.4
133.10103	66.8
135.11676	19.8
142.07845	12.2
143.08585	18.1
145.10141	65.4
147.11696	36.7
149.13217	12.4
157.10092	15.0
159.11719	42.0
161.13249	33.0
163.14780	19.4
171.11702	12.4
173.13229	54.0
175.14804	46.0
177.16350	16.5
185.13251	16.8
187.14809	48.4
189.16422	33.7
191.14433	19.0
199.14862	29.6
201.16347	80.0
203.14345	18.8
203.17950	46.4
205.15871	33.5
213.16383	19.5
219.17447	10.6
221.15295	17.8
230.32385	12.0
241.19562	10.9
247.16948	29.9
405.31509	25.6
423.32562	30.5
441.33212	18.0
451.32214	33.9
469.33142	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	505.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	17.8
57.03428	24.4
67.05514	39.6
69.03395	7.6
69.07067	17.1
69.61562	70.7
76.30965	8.3
76.44331	8.1
79.05489	32.9
81.07043	51.6
83.08608	9.4
91.05475	31.3
93.07037	53.9
95.04951	11.5
95.08605	30.4
98.21400	15.9
98.98446	59.1
105.07020	51.9
106.92360	8.0
107.08566	37.5
109.06572	9.4
109.10178	17.3
117.07047	11.6
119.08571	56.6
121.06512	9.3
121.10138	35.0
122.16331	7.0
123.11674	8.4
131.08559	31.6
133.10121	33.2
135.11668	25.0
143.08604	15.9
145.10081	40.0
147.11642	32.8
147.95723	7.5
149.13234	15.4
157.10094	17.0
159.11685	29.9
161.13243	17.3
163.11263	8.3
163.14769	13.7
171.11742	21.9
173.02095	17.2
173.13292	30.4
175.14810	21.7
177.12924	8.4
177.16389	8.8
185.13290	14.4
187.14876	11.6
199.14874	14.8
201.16400	17.8
215.18002	8.4
217.19485	11.1
241.19484	47.8
259.20593	31.5
313.65302	7.7
315.23053	15.8
333.24213	100.0
334.24402	11.5
368.62558	10.3
423.32761	10.4
451.31372	8.5
505.27502	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	505.3521
Annotation	11alpha-hydroxyasiatic acid
Peak:m/z	Relative Intensity
54.46513	3.1
55.01849	7.0
55.05504	18.6
55.27938	4.3
57.03422	4.6
67.05493	31.8
69.07060	17.5
69.51950	18.4
69.52380	15.1
71.05006	4.0
71.08620	9.6
71.67297	3.2
72.15870	4.1
76.10465	3.6
79.05488	29.1
81.03400	7.1
81.07047	48.6
83.04945	5.1
83.08598	12.6
91.05452	30.0
93.07032	39.3
95.04946	10.0
95.08598	46.7
96.48552	4.2
97.06503	11.4
98.98463	11.4
99.08074	15.5
105.07018	58.6
107.04932	8.1
107.08583	51.6
109.06468	14.7
109.10117	31.4
111.04427	5.9
111.08024	4.2
117.07001	11.5
119.08562	70.4
120.08920	4.4
121.06522	7.9
121.10143	37.6
123.08073	10.2
123.11675	10.3
125.09577	4.7
129.07007	9.0
131.08553	28.1
133.10092	48.5
134.17719	3.7
135.08000	6.6
135.11694	22.1
137.05980	4.7
137.09558	8.4
143.08542	13.5
145.10104	43.0
147.08018	5.4
147.11659	38.6
149.09610	8.5
149.13248	13.5
151.11162	6.4
155.01076	9.3
156.09288	5.1
157.10124	17.3
158.10884	4.5
159.11668	26.9
161.09613	9.3
161.13252	17.9
162.13519	3.7
163.11212	9.3
163.14801	10.9
169.10091	7.9
170.10907	6.2
171.11653	11.8
173.13232	20.8
175.14783	32.3
177.16425	11.1
179.14299	6.6
185.13243	28.0
186.00659	3.5
187.14803	36.0
189.12717	4.2
189.16385	7.0
191.14235	12.8
197.13235	7.2
199.14810	19.4
201.16342	34.0
203.14272	40.1
205.15878	18.5
213.16405	12.3
215.17995	6.2
219.17317	6.2
221.15327	17.1
223.16850	6.4
229.15797	3.7
235.16835	4.5
241.19479	3.6
246.16632	3.9
249.14873	4.5
259.20654	4.2
277.21692	10.6
309.59906	3.9
333.24188	8.3
351.25333	13.7
393.31244	6.5
405.26425	8.0
405.31601	12.9
411.32355	5.8
423.32397	15.9
441.33554	45.1
459.34674	30.9
469.33093	7.8
487.34195	100.0
505.35178	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3516
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
55.05495	22.8
67.05501	42.7
69.07049	15.4
69.14579	8.9
69.59235	80.0
79.05489	30.1
81.07054	42.5
83.04961	16.5
86.09706	8.9
91.05477	35.6
93.07032	37.3
95.04931	14.5
95.08582	19.2
97.06557	8.5
98.98489	17.8
105.07022	38.7
107.08596	36.9
109.10138	26.2
109.40064	10.7
117.07008	10.7
119.08547	53.6
121.10122	17.8
123.11675	10.2
125.09662	11.3
129.07043	10.1
131.08525	25.8
133.10120	33.8
134.10408	12.7
135.11711	13.4
145.10135	17.2
147.11653	23.3
157.10115	10.6
159.11731	13.1
161.13290	11.5
171.11681	15.2
173.13176	16.9
175.14742	9.0
185.13271	11.9
187.14777	23.5
188.15089	10.6
201.16364	12.7
205.15878	13.0
205.21870	9.0
213.16444	9.1
241.19537	14.2
259.20605	10.8
279.61432	8.5
327.23608	8.5
333.24246	25.1
405.31772	10.2
438.81924	10.7
443.09906	10.1
466.39938	9.0
469.32803	9.5
505.27771	18.8
505.34106	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46513	3.1
55.01849	7.0
55.05504	18.6
55.27938	4.3
57.03422	4.6
67.05493	31.8
69.07060	17.5
69.51950	18.4
69.52380	15.1
71.05006	4.0
71.08620	9.6
71.67297	3.2
72.15870	4.1
76.10465	3.6
79.05488	29.1
81.03400	7.1
81.07047	48.6
83.04945	5.1
83.08598	12.6
91.05452	30.0
93.07032	39.3
95.04946	10.0
95.08598	46.7
96.48552	4.2
97.06503	11.4
98.98463	11.4
99.08074	15.5
105.07018	58.6
107.04932	8.1
107.08583	51.6
109.06468	14.7
109.10117	31.4
111.04427	5.9
111.08024	4.2
117.07001	11.5
119.08562	70.4
120.08920	4.4
121.06522	7.9
121.10143	37.6
123.08073	10.2
123.11675	10.3
125.09577	4.7
129.07007	9.0
131.08553	28.1
133.10092	48.5
134.17719	3.7
135.08000	6.6
135.11694	22.1
137.05980	4.7
137.09558	8.4
143.08542	13.5
145.10104	43.0
147.08018	5.4
147.11659	38.6
149.09610	8.5
149.13248	13.5
151.11162	6.4
155.01076	9.3
156.09288	5.1
157.10124	17.3
158.10884	4.5
159.11668	26.9
161.09613	9.3
161.13252	17.9
162.13519	3.7
163.11212	9.3
163.14801	10.9
169.10091	7.9
170.10907	6.2
171.11653	11.8
173.13232	20.8
175.14783	32.3
177.16425	11.1
179.14299	6.6
185.13243	28.0
186.00659	3.5
187.14803	36.0
189.12717	4.2
189.16385	7.0
191.14235	12.8
197.13235	7.2
199.14810	19.4
201.16342	34.0
203.14272	40.1
205.15878	18.5
213.16405	12.3
215.17995	6.2
219.17317	6.2
221.15327	17.1
223.16850	6.4
229.15797	3.7
235.16835	4.5
241.19479	3.6
246.16632	3.9
249.14873	4.5
259.20654	4.2
277.21692	10.6
309.59906	3.9
333.24188	8.3
351.25333	13.7
393.31244	6.5
405.26425	8.0
405.31601	12.9
411.32355	5.8
423.32397	15.9
441.33554	45.1
459.34674	30.9
469.33093	7.8
487.34195	100.0
505.35178	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
54.14933	1.2
55.05499	13.0
55.06463	1.2
57.03432	8.8
57.07066	2.8
59.04987	3.1
65.03946	2.7
67.05495	100.0
68.05832	1.6
69.03422	1.8
69.07047	8.6
70.07197	7.6
71.04967	3.6
73.44969	1.3
77.03928	1.4
79.05480	27.5
80.05819	1.3
81.07045	32.3
83.08612	8.5
85.06519	4.9
91.05463	29.8
93.07030	33.5
95.04963	4.7
95.08588	22.2
97.10141	2.8
99.08067	2.3
103.03875	1.4
103.87061	1.2
104.94081	1.2
105.07012	33.6
107.08581	19.5
109.06491	2.2
109.10140	62.9
110.10477	2.1
111.08057	4.0
111.80005	1.2
113.09685	1.4
115.05414	1.2
117.06988	9.5
119.08556	35.5
121.10126	12.8
123.11660	1.3
125.09660	3.2
129.06956	6.2
131.08533	15.1
133.10109	24.4
135.11679	12.3
137.09604	4.4
143.08549	6.5
145.10104	11.9
147.11658	26.4
149.13225	7.2
155.10631	5.0
157.10092	5.6
159.11702	11.6
161.13231	20.7
163.11217	2.5
163.14807	3.6
171.11659	7.5
173.11722	21.9
173.13234	7.1
175.14742	7.1
185.13194	7.0
187.14769	4.1
189.11208	2.4
191.62256	1.2
199.14822	3.6
213.16391	3.6
215.17938	1.5
227.12801	4.5
229.14334	48.7
231.21059	5.3
235.04314	1.4
241.19485	20.6
241.77374	1.4
243.21141	1.4
259.20544	53.3
261.22156	2.3
275.19943	1.5
277.21487	2.9
315.23236	3.7
333.24191	31.0
368.35797	1.4
395.29535	2.0
413.30194	1.9
487.34119	8.7
505.35300	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	505.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69394	1.0
53.03930	2.4
55.01847	2.0
55.05501	15.2
57.03429	9.3
57.07044	2.2
59.04992	4.8
65.03916	2.8
67.05493	100.0
69.07060	7.1
69.42513	1.6
69.42918	7.9
71.04970	4.2
71.08619	1.6
73.02910	0.8
77.03874	1.0
79.05480	23.4
81.07040	32.9
83.04971	2.0
83.08604	8.1
85.06510	3.7
86.29411	0.8
91.05466	34.6
93.07028	28.1
95.04932	4.3
95.08591	19.2
97.10161	3.0
99.08067	1.9
103.05425	0.9
105.07014	35.7
107.04938	1.6
107.08583	18.4
109.06488	2.3
109.10136	73.9
110.10484	1.1
111.08044	3.8
117.06998	8.2
119.07729	1.8
119.08557	30.7
119.09396	1.7
121.06469	1.0
121.10128	11.9
123.08061	1.3
123.11622	1.7
125.09598	2.9
129.06978	6.1
131.08534	12.4
133.10101	23.9
134.10446	1.0
135.11656	12.2
137.09599	3.1
142.07796	1.1
142.58679	0.9
143.08548	5.0
145.10124	11.0
147.08057	1.3
147.11662	23.7
149.09579	2.0
149.13223	9.0
151.11063	1.2
155.10626	3.6
157.10121	5.8
159.11655	10.5
161.13231	21.5
163.11160	1.6
163.14787	1.9
169.10077	1.1
170.33359	0.9
171.11655	5.3
173.11705	20.5
173.13210	5.2
174.62886	0.8
175.11198	2.0
175.14792	9.9
177.12686	1.4
180.33673	0.8
185.13252	6.3
187.14780	3.5
189.11194	1.6
189.12796	1.2
189.16318	0.9
199.14777	3.5
201.16385	1.0
203.14267	1.0
203.78604	0.8
213.16409	1.6
215.17796	1.6
217.19495	0.9
227.12666	5.5
229.14305	48.4
230.14725	1.6
231.21027	5.8
241.19466	22.5
259.20523	48.3
260.20892	1.8
261.22137	2.3
277.21527	2.1
315.23154	3.0
333.24207	26.7
413.30463	2.8
487.34134	9.4
505.35059	9.3
529.64777	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04602	1.0
51.02373	1.3
53.03925	2.3
55.01861	2.3
55.05506	17.3
57.03434	8.7
57.07063	3.0
59.04993	5.5
61.02910	1.3
65.03921	3.4
67.05497	100.0
69.03423	1.1
69.07055	9.9
70.18253	2.7
70.18662	4.0
70.80073	1.1
71.04979	4.4
79.05484	30.8
80.86491	1.0
81.03426	1.8
81.07043	35.9
82.07381	1.7
83.04961	1.9
83.08596	9.3
85.06525	4.7
91.05470	41.9
93.06420	1.8
93.07030	32.3
95.04970	5.0
95.08601	22.2
97.06535	1.9
97.10145	4.4
98.20827	1.4
99.08107	2.4
104.90007	1.1
105.07016	40.3
107.04932	2.1
107.08578	24.6
109.06506	2.4
109.10142	63.2
111.08057	4.2
115.05411	1.6
117.06985	10.7
119.08568	37.7
121.10139	13.9
123.11681	2.3
125.09600	3.9
128.06277	1.2
129.06973	7.0
130.07761	1.4
131.08540	16.7
133.10121	31.2
134.10469	1.3
135.08055	2.4
135.11684	12.0
137.09593	4.9
142.07773	1.3
143.08514	5.0
145.10095	13.8
147.11670	31.9
149.09554	1.7
149.13239	6.9
151.11079	1.4
155.10628	3.3
157.10123	4.4
159.11687	13.0
161.13254	22.9
163.11169	1.3
163.14818	3.0
169.10126	1.3
171.11673	8.6
173.11723	21.6
173.13261	10.0
175.14758	9.5
177.12744	1.3
183.11723	1.7
185.13248	9.6
187.14839	4.7
189.11200	3.1
189.12747	1.8
199.14807	4.8
201.16393	1.2
203.14308	1.3
213.16252	1.8
227.12766	3.9
229.14334	42.9
231.17340	1.5
231.21072	6.2
239.17950	1.4
241.19469	22.9
243.20998	1.4
259.20551	59.7
260.20834	1.2
260.59171	1.0
261.22168	3.8
275.20169	1.5
277.21616	2.0
301.12704	1.0
315.23227	3.4
317.24551	1.2
333.24213	26.0
392.20163	1.1
395.29263	1.6
413.30527	1.7
441.33716	1.7
468.67670	1.1
487.34259	11.3
505.35379	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	505.352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63165	0.8
53.03916	1.6
55.01872	1.4
55.05263	1.5
55.05502	14.2
57.03152	1.3
57.03423	7.9
57.07061	2.4
59.04989	3.6
61.02908	1.6
65.03926	3.2
66.58105	0.8
67.05495	100.0
68.05831	1.7
69.03413	1.7
69.07056	7.5
69.25473	0.8
69.46414	9.0
71.04967	3.9
79.05484	26.6
81.07047	29.6
83.04965	1.0
83.08610	7.5
85.02858	1.1
85.06532	3.2
91.05465	30.3
92.05783	1.0
93.06433	1.4
93.07030	28.4
94.57909	0.9
95.04961	3.8
95.08594	19.2
95.13982	0.9
97.06521	1.7
97.10150	2.9
98.20702	1.9
99.08064	1.3
104.10703	1.1
105.07017	29.6
107.08579	15.7
109.06479	1.4
109.10142	69.0
110.10531	1.6
111.08082	3.1
117.06991	7.9
119.08566	31.8
121.10117	12.2
122.00462	0.8
123.08057	1.5
123.11673	1.1
125.09576	4.0
129.07022	4.8
131.08554	14.9
133.10106	22.6
135.08044	1.4
135.11673	10.7
137.09589	3.7
143.08549	5.1
145.10117	9.7
147.07986	1.2
147.11665	24.0
148.12042	1.0
149.13246	7.4
155.08595	1.2
155.10631	4.9
157.10110	5.2
159.11658	9.9
161.13234	18.5
163.11176	2.4
163.14799	2.0
169.10104	1.5
171.11691	6.4
173.11729	22.1
173.13245	6.4
175.14775	9.2
177.12708	1.3
183.11818	1.0
184.07253	1.4
185.13217	6.5
187.14824	2.2
189.11189	1.1
189.12808	1.6
199.14790	3.2
203.14256	1.4
227.12755	6.3
229.14310	45.9
231.17569	1.2
231.21060	5.1
241.19460	18.2
243.21056	1.2
249.14844	1.2
257.19000	1.2
259.20544	42.1
260.20886	2.5
261.22070	2.6
277.21561	1.1
307.19672	0.9
315.23135	4.4
333.24197	22.7
334.24408	1.0
395.29346	1.0
413.30658	1.5
441.33469	1.4
487.34351	8.5
505.35306	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01852	2.6
55.05502	14.4
57.03429	1.6
57.07067	46.1
59.04996	0.9
65.03935	2.2
67.05495	34.7
69.03431	2.0
69.07054	12.1
69.46735	9.1
71.04984	2.0
71.08618	31.2
79.05476	14.7
81.03405	100.0
81.07042	35.4
82.07369	1.0
83.04974	3.6
83.08608	32.2
85.06523	1.6
85.10178	15.5
91.05463	20.7
93.07027	12.3
95.04955	28.5
95.08591	33.1
97.02892	3.7
97.06515	1.4
97.10149	6.9
99.08045	1.8
99.11732	1.4
103.05464	1.4
105.07011	15.3
107.04930	6.3
107.08558	4.8
109.06496	2.8
109.10142	18.8
109.10873	1.3
111.04478	1.8
111.08079	7.5
111.11704	1.5
115.05457	2.0
116.73500	0.9
117.07010	2.5
119.04929	1.3
119.08557	14.6
121.06511	2.7
121.10148	4.4
122.76595	0.8
123.04427	1.4
123.08092	2.5
123.11690	6.7
124.03339	0.9
125.09655	1.0
129.06969	8.5
129.07707	0.8
131.08545	8.7
133.06494	1.6
133.10104	6.0
135.11662	1.5
137.09619	2.1
137.13258	2.7
142.07751	2.0
145.10095	1.8
147.08046	4.3
147.11667	7.4
149.09615	4.7
149.13258	1.2
151.14818	1.2
157.10092	9.3
161.13260	1.0
165.12744	2.2
175.11127	10.8
179.14319	1.7
193.12216	59.1
227.12903	1.1
229.14322	1.1
231.13773	1.2
239.23700	10.6
249.14859	8.0
259.20572	1.0
277.21588	1.5
333.24304	1.1
443.02744	0.8
484.40433	0.8
505.38904	89.7
506.39246	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.01859	1.9
55.05499	12.5
57.07063	33.8
57.24113	1.6
64.46896	1.6
65.86333	1.8
67.05495	23.1
69.07056	15.9
71.08614	26.0
79.05483	16.3
81.03403	76.9
81.07039	26.7
83.04952	5.4
83.08607	28.7
85.10161	14.7
91.05466	16.2
93.07025	8.0
95.04949	22.8
95.08585	27.7
96.93433	1.8
97.02890	4.8
97.10149	10.8
98.21460	4.6
99.11755	2.2
105.07031	12.4
107.04941	4.9
107.08591	4.2
109.10141	13.4
111.08052	7.1
111.11701	3.9
111.87724	1.9
115.05413	2.5
119.08539	9.2
121.06432	2.6
121.10117	6.1
123.11684	7.0
128.06239	2.1
129.06955	9.8
131.08559	7.2
133.06465	3.2
133.10155	3.9
147.11674	7.4
149.09590	4.3
149.13203	2.4
157.10121	6.5
159.11642	1.8
160.15131	1.7
175.11150	11.4
182.91556	1.8
193.12221	38.9
212.21700	2.1
239.23610	8.5
249.14824	7.0
332.52820	1.8
340.41565	1.7
353.77264	2.1
379.46933	1.9
395.69635	1.8
445.20178	4.7
446.20309	2.6
505.21869	17.1
505.38791	100.0
506.38489	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	505.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67426	0.8
53.03944	4.9
55.01860	2.4
55.05505	13.8
56.65364	0.6
57.03433	2.1
57.07069	47.8
65.03924	2.0
67.05495	30.9
69.03415	2.0
69.07061	10.4
69.51208	6.8
71.04988	1.4
71.08621	32.0
79.05490	15.0
79.23785	0.6
81.03408	100.0
81.07047	34.3
81.07545	1.1
83.04960	3.3
83.08610	33.2
84.49676	0.6
85.06557	1.0
85.09670	1.2
85.10174	17.4
86.55457	0.7
91.05469	20.0
91.06039	1.0
93.07030	8.3
95.04333	0.8
95.04475	0.5
95.04955	27.2
95.08595	31.5
96.05258	0.6
97.02879	1.6
97.06528	1.2
97.10160	8.6
99.08080	1.2
99.11697	1.3
105.07022	14.5
107.04947	6.2
107.08591	4.2
109.02866	1.1
109.06500	2.4
109.10149	15.6
111.04429	1.8
111.08067	8.5
111.11681	1.8
115.05394	1.6
117.07013	2.0
119.04935	1.4
119.08566	11.3
121.06512	2.4
121.10123	6.8
123.04446	1.7
123.08060	1.8
123.11691	7.0
125.09628	0.8
125.13253	1.6
127.14824	0.7
129.06989	10.0
131.08543	9.0
133.06479	3.9
133.10118	5.2
135.11638	1.1
137.09641	1.5
137.13217	3.1
142.07770	3.4
145.10130	1.8
147.07994	3.2
147.11658	5.7
149.09592	4.1
151.14793	1.1
157.10124	8.4
165.12733	1.1
165.16470	0.8
175.11182	9.1
177.12631	0.6
193.12227	58.9
205.12273	1.2
213.12689	1.1
220.22408	0.7
221.31331	0.7
223.13229	0.8
231.13831	1.2
239.23677	10.4
249.14844	7.8
379.90002	0.8
505.38852	99.4
506.39047	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	505.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.3
55.01872	2.7
55.05505	24.7
57.07070	30.2
67.05493	35.4
69.07056	24.7
70.20129	9.6
71.04970	2.7
71.08623	24.5
79.05481	17.2
79.65733	1.7
81.03406	44.5
81.07043	43.4
83.04971	4.6
83.08609	36.7
85.02883	1.7
85.06525	1.9
85.10189	8.8
91.05467	20.7
93.07039	18.4
95.04964	13.4
95.08596	19.6
97.02861	1.9
97.06526	3.3
97.10162	16.6
105.07010	11.2
107.04920	3.6
107.08566	10.2
109.06543	2.6
109.10147	11.0
111.08067	6.8
111.11712	3.5
115.01778	1.5
117.06997	2.7
119.08575	8.0
120.08904	1.6
121.06458	2.3
121.10107	9.8
123.08067	3.0
123.11697	3.4
129.06999	5.6
129.29347	1.8
131.08566	6.7
133.10144	4.4
135.11673	3.7
147.08075	2.0
147.11725	5.6
149.13239	8.4
157.10190	4.3
159.11685	3.9
172.45903	1.6
175.11186	4.9
176.00014	1.7
180.16556	1.7
193.12227	24.2
195.13803	5.4
237.22139	7.8
239.23723	6.4
249.14867	3.6
329.52258	1.8
445.20471	4.0
505.21805	17.0
505.38834	100.0
506.38806	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.3
55.01852	2.3
55.05271	1.5
55.05500	16.7
57.03430	1.4
57.06799	2.2
57.07065	36.5
64.91408	1.2
65.03917	2.0
67.05489	31.6
69.07052	15.3
70.90018	2.6
70.90382	1.3
71.04961	2.3
71.08614	26.6
79.05479	18.3
81.03398	80.3
81.07039	34.3
83.04951	3.1
83.08604	29.7
85.06521	2.1
85.10165	13.3
91.05465	19.9
93.07024	12.3
95.04948	22.0
95.05510	1.9
95.08588	25.5
97.02856	1.3
97.06525	2.3
97.10148	8.4
97.57490	1.2
99.08054	1.2
105.07002	11.4
107.04923	5.3
107.08582	5.2
109.06484	1.2
109.10133	12.6
111.04365	2.0
111.08045	6.7
111.11691	1.8
115.05399	1.7
117.06987	2.5
119.08563	9.8
121.06482	2.6
121.10133	6.2
123.11667	4.4
128.06177	1.6
129.06982	6.6
131.08537	8.7
133.06465	2.4
133.10118	5.0
137.09660	1.3
137.13231	2.0
142.07771	2.4
147.08018	2.1
147.11650	6.0
149.09612	4.4
149.13264	4.3
157.10141	7.6
159.11702	1.7
165.12738	1.3
175.11136	9.0
193.12222	32.9
212.64464	1.2
237.22144	2.5
239.23569	8.3
249.14909	5.7
291.52509	1.2
453.04910	1.2
464.22916	1.3
505.27576	3.1
505.38803	100.0
506.39301	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27965	1.0
55.01849	1.0
55.05490	1.4
55.71399	0.9
69.03409	4.1
69.39989	10.6
71.91122	0.8
79.05487	1.0
79.82884	0.8
81.03400	3.1
81.07049	2.6
83.04928	0.8
85.02891	4.4
89.03435	1.0
89.03915	8.9
91.05474	2.7
93.06992	1.9
95.08587	2.0
97.02860	7.8
98.21400	2.0
105.07031	1.5
106.04221	1.1
107.04951	2.1
109.02901	1.1
109.10125	1.3
117.03367	23.8
118.14389	1.0
119.04909	1.2
121.06468	1.2
121.10151	1.5
123.04452	4.6
123.07980	0.9
123.62086	1.0
125.05989	2.8
134.03644	2.1
135.04401	11.3
136.04788	1.5
137.05962	8.4
138.06316	4.0
145.02824	60.3
149.05959	8.2
150.06757	5.1
151.07210	3.8
152.04654	2.3
153.05446	76.8
161.05945	1.2
163.03882	57.0
165.09093	2.2
167.07028	10.3
168.07776	2.8
169.08145	2.1
171.18227	1.0
174.94235	0.9
177.05446	100.0
178.05801	2.8
179.07033	4.9
181.04967	2.7
183.06516	4.3
184.07277	47.2
186.05472	1.9
189.09120	1.4
193.08557	1.5
205.08604	1.1
217.08589	1.3
231.10139	1.3
259.09769	2.2
277.10583	1.6
299.69357	0.9
325.09146	9.5
338.25781	0.9
339.10611	3.8
381.21362	1.0
420.03598	1.0
476.42657	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.5
55.01859	3.7
55.05505	10.1
57.03421	5.0
57.07066	2.6
59.04995	1.7
64.85786	1.5
65.03933	2.2
67.05496	25.6
69.03422	8.6
69.07053	10.1
69.44163	1.5
71.01337	2.4
71.04965	5.6
79.05488	25.5
81.03407	18.2
81.06601	2.8
81.07048	32.1
83.04957	5.8
83.08626	6.2
85.02881	13.1
85.06525	4.5
91.05471	46.5
93.07031	77.7
95.04948	17.3
95.08594	26.9
97.02880	4.6
97.06524	8.7
97.10151	4.5
99.04453	4.3
99.08085	3.3
103.05453	13.9
105.04474	3.0
105.07010	21.5
107.04982	8.2
107.08578	18.0
109.02847	6.6
109.06515	4.9
109.10153	10.9
111.04424	3.6
111.08064	4.1
114.09116	1.7
117.07014	8.7
119.04927	6.1
119.08569	19.4
120.08007	1.6
121.06502	39.9
121.10126	11.9
123.04414	2.0
123.08060	5.2
123.11707	3.1
125.05995	2.2
125.09573	1.8
127.03900	6.2
128.06232	1.8
128.60316	1.8
129.06961	5.1
131.04913	76.4
131.08551	9.0
133.06448	8.1
133.10074	10.0
135.04402	2.2
135.08025	5.5
135.11658	6.7
137.05980	7.0
137.13231	2.2
141.06943	2.8
142.07756	1.9
143.08533	5.6
145.06491	5.6
145.10077	5.3
147.04425	4.2
147.08018	5.9
147.11693	4.8
149.05965	100.0
149.09572	4.4
149.13252	2.1
151.03915	1.7
151.07547	3.5
152.96001	1.8
153.05463	6.8
155.08524	5.2
157.10118	3.7
159.08014	4.8
159.11678	3.2
161.05965	3.4
161.09628	3.4
161.13272	9.1
163.03902	8.4
163.07558	4.0
163.11168	5.6
163.14763	2.2
165.05415	1.9
167.07024	6.4
167.08398	1.5
169.10110	2.0
171.08049	3.1
171.11765	2.3
173.05931	4.3
173.09622	4.5
173.13252	3.2
175.07532	3.8
175.11136	3.2
177.05400	2.0
177.12712	2.1
179.06952	2.0
179.14265	6.9
183.08025	2.6
184.07288	5.5
185.09608	2.5
187.07523	3.8
189.08995	2.1
191.07018	5.5
191.10622	2.7
199.11098	1.9
201.09151	2.1
201.12790	1.9
203.07109	2.0
207.06331	1.8
209.11681	2.5
211.07538	2.7
213.09012	2.6
215.07005	3.1
229.08530	3.5
233.08049	2.4
239.07043	7.8
257.08075	7.3
258.41306	1.8
275.09186	6.1
289.05350	4.1
293.10205	5.7
311.11224	2.9
327.19540	5.8
345.20453	2.2
453.22623	2.4
471.23724	2.8
507.29404	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	507.2711
Annotation	Amoritin
Peak:m/z	Relative Intensity
51.19122	1.6
53.03919	3.5
55.05503	16.4
57.03432	11.3
57.07060	3.7
65.03933	2.3
67.05139	2.5
67.05494	49.8
69.07063	13.7
69.36485	7.1
69.36913	12.0
79.05482	30.0
80.48143	1.6
81.07044	45.1
83.08584	5.1
85.06546	2.2
91.05000	1.9
91.05471	20.3
93.07030	41.8
95.04926	4.8
95.08591	36.9
97.06502	3.6
97.10139	4.1
98.98447	58.8
105.07011	18.5
107.08580	21.2
109.06486	3.7
109.10137	14.9
116.60648	1.6
117.07007	5.1
119.08581	13.6
121.10096	15.9
123.08061	2.9
123.11668	5.7
129.05305	2.0
131.08531	6.5
133.10106	9.3
135.11676	12.9
137.13231	2.5
143.08572	1.9
145.10112	9.9
147.11700	8.5
149.09587	2.2
149.13220	7.8
155.00986	21.7
157.10144	1.8
159.11646	4.7
161.13231	5.3
163.14798	2.6
168.65718	1.5
169.10028	2.3
173.02083	9.9
173.13266	4.4
175.14842	3.7
187.14874	3.0
220.37715	1.8
229.04599	2.3
243.21056	6.0
247.05743	2.6
261.22110	16.2
275.99957	1.6
317.24716	13.2
333.93027	1.9
335.25739	100.0
336.25854	2.1
411.73560	2.0
471.25085	3.0
507.35327	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	507.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36132	2.7
53.03927	4.8
55.01856	4.8
55.05503	20.2
57.03424	10.5
57.07053	3.9
59.17300	1.9
67.05141	3.1
67.05498	51.4
69.03387	2.4
69.07066	12.4
69.71649	1.9
71.04958	3.8
79.04745	1.8
79.05483	49.4
81.03384	6.9
81.07047	66.1
83.04961	5.8
83.08597	6.3
91.05472	31.2
93.07036	57.8
95.04950	8.1
95.08591	49.5
97.02907	2.2
97.06516	4.3
97.10146	4.8
98.98455	49.9
99.08088	2.2
103.51409	1.8
105.07023	31.3
107.04921	5.1
107.07879	4.0
107.08568	31.0
109.06493	5.1
109.10133	14.4
111.04421	4.3
111.08070	4.6
113.50358	2.1
116.99463	2.4
117.07001	9.8
119.08569	24.8
119.38480	2.3
121.10135	22.0
123.08022	2.9
123.11681	6.4
125.09579	2.5
129.06999	6.8
131.08568	16.4
133.10107	15.9
135.08003	2.6
135.11664	14.8
137.05936	2.0
137.13184	3.4
141.72990	1.9
143.08490	2.2
145.10126	14.2
147.11668	16.2
149.09607	4.4
149.13235	10.8
153.05455	8.4
155.01025	15.9
159.11661	8.3
161.13268	9.5
163.03876	8.6
163.11136	6.3
163.14796	5.6
166.33269	1.7
171.11647	6.7
173.02090	7.9
173.13248	7.7
175.14813	4.2
177.16368	5.4
181.12201	2.1
182.28088	2.0
184.07306	5.0
187.14748	3.2
187.68172	2.1
207.13797	5.7
209.11758	2.5
227.12862	3.4
229.04724	3.9
243.21132	18.8
247.05678	4.7
261.07001	2.2
261.22110	18.5
277.21490	2.2
281.17578	6.5
283.15393	10.3
299.24094	2.3
317.24716	16.2
335.25757	100.0
336.25940	4.2
439.67059	2.4
471.24976	5.6
489.28708	11.0
507.28787	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	3.9
55.05506	18.0
57.03424	8.5
57.07056	6.0
65.03922	3.2
67.05495	63.8
69.03417	3.0
69.07073	14.6
69.62251	2.6
71.04967	3.5
71.71223	3.4
79.05482	37.7
81.07045	63.7
81.07485	5.6
83.04951	2.7
83.08597	8.7
83.17181	3.3
91.05457	24.3
93.07027	49.5
93.73166	2.6
95.04959	6.4
95.08595	43.7
97.06505	5.6
97.10154	6.9
98.98452	50.8
100.76958	2.5
105.07022	20.2
105.61352	3.6
107.04977	3.1
107.08572	34.1
109.06496	4.0
109.10139	27.1
117.07056	4.2
119.08565	21.6
121.10146	16.4
123.08075	3.1
129.06996	3.1
131.08563	13.1
133.10146	16.3
135.11684	12.7
145.10104	12.3
147.08095	5.4
147.11650	6.3
149.13263	11.1
153.05428	7.1
155.01007	23.3
159.11687	9.2
161.13271	7.7
163.03877	6.2
165.09123	10.7
173.02066	5.7
173.13289	5.3
179.78465	2.7
187.14886	4.2
221.15381	27.2
227.12653	3.6
229.04749	3.6
243.21112	6.0
245.05959	2.9
247.05833	6.0
261.22128	15.9
317.24728	7.5
335.25745	100.0
430.29926	3.6
471.24887	4.6
489.71924	3.9
491.74741	2.8
507.34729	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	507.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16105	2.2
51.66854	2.1
53.03920	2.4
55.01853	4.8
55.05510	16.5
56.53250	1.9
57.03425	14.8
57.07062	3.8
65.03905	1.9
67.05143	2.9
67.05495	58.8
67.72595	1.9
69.07058	10.9
70.23062	7.5
79.05038	2.2
79.05479	44.5
81.03407	3.8
81.07048	56.7
83.04965	6.2
83.08600	7.7
83.99246	1.9
91.05455	31.8
93.07034	56.7
93.09473	1.9
95.04939	8.2
95.08594	43.6
97.06486	2.7
98.98446	44.0
105.07019	26.2
107.04937	5.8
107.08584	26.3
109.06479	4.0
109.10149	15.6
109.34724	1.8
117.06998	10.3
119.08546	20.8
121.10132	21.0
123.11666	5.7
125.09615	2.5
129.06989	3.6
131.08536	12.0
133.10136	12.8
135.08014	2.8
135.11638	16.9
145.10069	11.2
147.11659	16.7
149.13213	9.3
153.05479	2.5
155.01035	17.2
157.10110	2.7
158.58305	2.2
159.11636	8.4
161.13168	9.7
163.03839	2.2
163.11197	3.5
163.14798	6.5
171.11609	3.9
173.02071	5.7
173.13196	7.7
175.14819	4.3
177.16499	2.5
181.12177	2.5
187.14839	3.1
193.12025	2.0
207.13754	4.7
209.11740	3.1
211.03619	2.5
227.12927	2.7
243.21059	22.1
247.05826	3.8
261.22095	22.0
281.17538	5.9
283.15332	9.6
299.23166	2.4
317.24826	18.0
335.25751	100.0
336.26187	3.1
431.48065	2.3
438.07434	1.9
455.47119	2.0
471.25085	4.8
489.28436	10.4
507.28903	4.0
509.67828	2.5
531.39203	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	8.1
55.01852	13.6
55.05510	34.7
57.03418	12.4
67.05187	5.8
67.05498	72.1
69.07070	21.8
69.43468	9.9
69.43879	37.6
71.04971	7.0
77.07111	4.2
79.05487	100.0
81.03394	19.3
81.07048	63.4
83.01324	9.0
83.04970	31.9
83.08598	17.4
83.56606	4.2
85.02894	5.9
85.06533	4.5
88.85614	4.1
91.05470	74.4
93.07027	96.9
95.04964	38.3
95.08582	35.5
95.51161	4.3
97.02878	7.8
97.06502	16.9
97.10146	7.9
97.46513	4.8
98.21394	7.7
98.98459	4.4
103.05426	5.0
105.07017	51.0
107.04929	16.2
107.08591	31.8
107.85561	4.3
109.06497	12.4
109.10113	8.1
111.04409	17.0
111.08055	8.5
117.06989	18.1
119.08566	39.0
121.06480	6.1
121.10123	14.2
123.08022	9.6
128.06252	6.0
129.06946	22.3
131.08537	14.4
133.10089	17.0
135.08006	5.6
135.11671	20.9
143.08528	10.1
144.11946	4.8
145.10133	26.8
147.08015	5.3
147.11670	48.3
153.12729	6.3
161.09628	5.8
161.13295	20.0
163.03833	5.7
163.11163	30.7
171.11671	29.9
173.09628	4.8
181.04982	5.1
181.12238	16.7
189.12709	14.3
191.10686	20.5
207.13823	32.2
209.11674	19.6
225.14748	5.1
227.12747	21.2
229.04610	4.4
281.17429	52.2
283.15396	49.6
489.28348	67.6
507.29376	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	507.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53630	3.0
53.03932	11.2
55.01863	17.3
55.05503	28.9
57.03423	12.9
57.07064	4.1
59.05010	3.1
65.03941	4.7
67.05495	71.9
68.43633	2.9
69.03400	3.6
69.07066	18.2
69.07372	3.2
70.34136	2.9
70.96460	9.5
71.04977	6.8
79.05485	100.0
81.03414	16.9
81.07043	73.7
83.01333	6.6
83.04964	31.1
83.08600	20.1
85.02901	4.9
91.05468	73.9
92.05812	3.2
93.07030	97.8
95.04955	34.5
95.08598	29.8
95.84332	2.9
97.06519	12.1
103.05429	3.2
105.07018	48.2
107.04961	16.7
107.08584	31.3
109.06510	13.1
109.10167	6.2
111.04443	8.7
111.08083	5.4
117.07021	16.8
119.08549	39.0
121.06516	8.0
121.10113	15.3
123.08022	14.9
129.06985	17.2
131.08546	4.9
133.06433	3.5
133.10124	13.2
135.11673	18.7
142.15984	2.9
143.08531	7.4
145.10085	30.4
147.07988	5.3
147.11658	49.2
153.12706	7.1
161.09654	6.0
161.13272	14.3
163.11179	31.3
171.11661	29.1
173.09616	6.0
173.88792	3.3
181.12215	9.6
189.12758	13.8
191.10696	11.6
207.13765	37.5
209.11639	7.8
209.70271	2.9
225.14796	5.7
225.81721	2.8
227.12798	10.7
267.20264	3.2
281.17480	47.4
283.15378	68.6
471.27136	7.3
489.28452	84.7
507.29721	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	507.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.01863	1.5
55.05503	14.8
57.03431	2.4
57.07067	44.3
65.03925	2.4
67.05494	56.2
69.03411	1.2
69.07057	19.7
70.96084	1.8
70.96454	1.6
71.04982	2.9
71.08619	29.9
78.74660	0.8
79.05483	23.2
81.03420	5.2
81.07043	73.6
82.03740	1.5
82.07416	1.2
83.04984	2.7
83.08610	26.1
85.06543	2.0
85.10170	14.7
91.05470	18.0
93.06438	1.3
93.07027	33.3
95.04972	4.7
95.08595	38.5
97.06513	5.9
97.10136	7.9
99.08102	2.5
99.11726	1.5
105.07009	5.5
107.08571	17.3
109.06541	1.7
109.10139	17.0
111.08043	4.4
111.11703	2.1
117.06989	5.3
119.08570	3.4
121.10133	10.3
123.11685	8.8
131.08566	5.5
133.10115	9.8
135.08066	1.8
135.11682	9.4
137.13249	2.6
145.10117	1.1
147.11691	1.4
149.09662	0.9
149.13232	21.0
151.11133	1.0
157.10172	0.9
159.11676	8.3
166.43605	0.8
167.14328	1.3
177.12764	3.9
193.12331	1.3
195.13805	10.4
213.14774	1.1
221.22499	1.2
239.23695	8.2
261.22244	1.1
293.32373	1.1
338.80734	1.0
489.36115	1.5
507.40405	100.0
508.40942	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	507.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44027	1.2
53.03928	2.5
55.05504	11.9
57.03424	3.2
57.07064	35.0
60.93484	1.0
65.03934	1.9
67.05492	53.0
67.86623	1.2
69.07062	18.8
69.39868	9.1
69.40292	4.8
71.04987	1.9
71.08243	2.3
71.08617	29.5
77.03911	1.3
79.05477	27.1
81.03403	4.0
81.07040	61.6
83.04967	3.3
83.08598	18.1
85.06521	3.0
85.10166	14.5
91.05459	14.9
93.07030	31.2
95.04947	4.3
95.08587	31.8
97.06526	5.1
97.10156	5.1
97.84684	1.3
98.21459	2.5
99.08101	2.2
99.11694	1.6
105.07015	4.5
107.08575	15.2
109.10139	14.8
111.08051	3.9
111.11683	1.8
117.06987	4.9
119.08539	2.1
121.10130	8.7
123.11679	7.7
125.98571	1.3
131.08542	5.7
133.10103	8.3
135.08003	1.4
135.11703	5.7
136.74876	1.2
137.13237	2.1
138.59845	1.2
144.79523	1.2
147.11674	1.4
149.13232	21.0
159.11661	8.5
170.08154	1.4
177.12770	5.1
195.13800	14.2
198.07666	1.3
213.14938	1.6
239.23744	8.0
239.59087	1.2
390.01599	1.3
507.40366	100.0
508.24893	1.7
508.40784	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	507.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.05500	15.9
57.03416	3.0
57.06798	3.1
57.07065	42.2
61.66764	1.6
65.03911	2.0
67.05147	2.9
67.05493	48.5
69.07056	22.7
69.72879	13.4
71.04975	3.1
71.08625	27.2
79.05478	27.3
81.03378	2.1
81.07044	73.7
83.04967	3.4
83.08611	22.8
85.06528	4.4
85.10172	14.7
85.82712	1.6
89.05988	2.0
90.62285	1.5
91.05460	17.5
93.07034	31.6
95.04946	4.8
95.08593	39.2
97.06489	4.2
97.10176	9.7
98.21448	2.4
99.08063	2.9
99.11723	2.1
105.06984	4.4
107.08570	17.8
109.10114	15.0
111.08080	3.2
111.11703	2.3
117.06995	6.2
119.08598	2.1
121.10134	10.6
123.11663	8.1
131.08549	5.1
133.10141	9.0
135.11678	6.7
135.80994	2.0
142.45151	1.7
149.13235	19.1
159.08080	1.7
159.11702	7.8
177.12724	3.5
188.31331	1.7
195.13805	12.9
195.54259	2.1
208.43164	1.8
239.23637	7.8
353.98465	1.9
426.03189	1.9
466.97595	1.8
507.40353	100.0
508.40497	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	507.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.01875	1.4
55.05504	15.9
57.03410	2.4
57.07065	43.2
65.03925	2.0
67.05494	55.8
69.03395	0.9
69.07055	21.6
69.51037	8.3
70.75789	1.0
71.04974	3.4
71.08620	29.4
72.08949	0.9
72.65433	0.8
73.81117	0.7
79.05480	23.6
81.03387	4.0
81.07045	71.6
83.04961	3.9
83.08605	26.2
83.08989	0.5
85.06528	2.9
85.10169	16.3
91.05465	15.7
93.07031	32.7
95.04958	3.6
95.08591	34.9
96.08986	1.0
97.06509	5.0
97.10153	9.3
99.08073	2.0
99.11711	1.5
103.30914	0.8
105.07013	6.8
107.08581	18.4
109.06532	1.9
109.10142	13.8
109.52537	0.8
111.08078	4.9
117.07019	6.2
119.08556	2.3
121.06479	1.1
121.10117	9.7
123.11688	8.5
131.08528	5.6
132.47025	0.9
133.10110	8.4
135.08022	1.1
135.11652	5.6
137.13261	2.1
139.11073	1.0
139.14793	1.0
147.11743	1.2
149.09663	1.1
149.13237	22.0
151.14845	1.1
152.23376	0.8
159.11668	9.3
177.12677	4.2
179.96741	0.9
193.12268	2.2
194.12524	1.0
195.13803	10.9
213.14830	1.7
214.43163	0.9
239.23672	10.0
297.43054	1.0
507.40405	100.0
508.40744	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	508.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56585	0.3
53.03938	0.7
55.01876	0.5
57.03439	0.4
60.61075	0.3
67.05477	0.3
69.03422	2.9
75.47934	0.3
77.03931	0.3
79.05471	1.2
80.55778	0.3
81.03408	1.6
81.07026	0.6
83.04974	0.3
85.02889	1.7
89.03908	3.0
90.11363	0.3
91.05461	0.5
93.07028	0.5
93.29581	0.3
95.04963	1.0
95.08599	0.4
97.02885	6.3
98.20706	0.5
99.04437	0.3
100.23777	0.3
101.02352	0.4
104.77048	0.3
105.03422	0.3
105.07038	0.3
107.04932	2.1
107.08598	0.4
109.02859	0.7
109.10093	0.4
113.02311	0.3
117.03355	4.7
123.04411	7.9
125.05965	0.9
127.03896	0.9
135.04399	10.6
137.05943	0.5
139.03860	0.5
141.05402	0.5
145.02834	8.2
151.03867	0.6
151.04976	0.9
151.07521	0.6
152.04601	0.3
153.05444	100.0
154.05765	0.9
163.03883	74.9
164.04196	1.3
166.06207	0.8
167.07004	1.1
168.07292	0.5
177.05537	0.4
181.04941	2.2
183.06506	0.4
184.07289	77.2
185.07674	0.8
195.06464	0.5
229.76469	0.3
263.01956	0.3
307.08084	1.8
325.09140	12.2
327.70963	0.3
345.25058	0.3
346.12350	0.4
418.31921	0.3
473.11008	0.3
521.63263	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01841	0.3
57.03429	0.6
65.03921	0.3
67.05492	0.8
67.55969	0.2
68.05852	0.2
69.03416	3.1
70.24807	0.4
70.25209	0.5
71.01326	0.3
77.03931	0.5
79.05494	0.9
81.03395	1.3
81.07035	1.1
82.07391	0.2
83.05003	0.3
85.02895	1.8
89.03900	2.7
91.05465	0.5
93.07016	0.5
95.04930	1.1
95.08592	0.8
97.02872	7.2
97.06506	0.3
99.04436	0.5
99.08072	0.3
101.02364	0.4
105.03384	0.4
105.07001	0.5
107.04928	1.9
107.08569	0.4
108.43020	0.2
109.02850	0.4
109.10124	0.3
113.02374	0.3
117.03350	4.0
117.04175	0.2
119.08583	0.2
121.10150	0.2
123.04408	7.8
125.05965	0.9
127.03931	0.6
133.10121	0.2
135.04391	9.0
135.11617	0.2
137.05928	0.3
137.13242	0.4
139.03874	0.3
141.05434	0.5
143.16936	0.2
145.02826	7.3
149.09653	0.2
151.03909	0.4
151.05005	1.1
152.04730	0.2
153.05434	100.0
154.05779	1.0
163.03871	60.0
164.04202	1.0
166.06271	0.8
167.07030	0.9
168.07346	0.2
180.00713	0.2
181.04933	1.7
183.06438	0.3
184.07274	68.9
185.07649	0.6
201.10135	0.2
307.08047	1.5
325.09122	12.4
326.09579	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	508.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
53.29739	0.4
57.46776	0.5
60.04519	0.5
67.05492	0.7
67.65190	0.5
69.03416	3.0
69.72400	3.1
71.01348	0.7
71.08406	0.5
77.03938	0.5
79.05483	1.2
81.03401	1.9
81.07030	1.0
85.02886	1.9
89.03905	2.5
95.04958	1.3
97.02882	6.2
98.20731	1.0
107.04927	1.4
109.02871	0.5
117.03350	5.4
118.03744	0.6
119.04974	0.5
123.04411	8.6
125.05991	0.5
135.04399	9.4
141.05444	0.6
145.02821	10.2
146.03183	1.7
146.17090	0.6
151.04979	1.0
153.05438	100.0
154.05942	0.8
163.03876	58.7
164.04256	0.9
166.06187	1.0
167.06996	1.0
177.05450	5.8
178.05754	4.1
181.04907	1.6
184.07280	67.6
185.07690	0.9
278.45111	0.5
307.07996	1.5
325.09106	11.7
360.88513	0.5
401.49887	0.5
405.48727	0.5
409.80804	0.6
505.60028	0.5
513.03143	0.5
515.77924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.2
55.05501	0.6
56.05029	0.5
57.03429	0.3
57.07067	0.2
58.06615	0.4
60.08155	6.2
67.05495	1.1
69.07048	0.7
71.07361	3.1
71.71563	0.3
79.05479	0.6
81.07047	1.4
82.07398	0.2
83.08602	0.5
86.09693	30.4
87.10023	0.3
91.05476	0.4
93.07014	0.9
95.04932	0.2
95.08594	0.8
97.06503	0.3
97.10167	0.3
98.98448	3.7
102.91230	0.2
104.06028	0.2
104.10725	2.8
105.06985	0.3
107.08578	0.6
109.10163	0.3
112.33684	0.1
116.99493	0.3
119.08559	0.2
121.10123	0.4
124.99982	21.6
125.09580	0.2
131.08537	0.2
135.11673	0.4
143.01035	0.4
153.05443	0.2
184.07314	100.0
185.07661	0.5
188.82306	0.2
197.13152	0.2
208.12146	0.2
325.27414	0.3
336.26013	0.6
490.33002	0.8
508.33884	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08248	0.7
53.03917	1.8
55.05503	8.1
57.03412	1.4
57.07053	2.1
59.04974	0.7
67.05491	11.7
69.03404	4.2
69.07056	3.8
70.06590	0.8
71.04971	4.8
75.95429	0.6
79.05483	5.6
81.03397	8.1
81.07043	58.7
82.07405	1.0
83.08579	0.9
85.02903	4.6
85.06516	3.8
89.06009	1.1
91.05453	1.9
93.07024	8.3
95.04951	4.4
95.08588	13.2
97.02865	2.3
97.06526	1.0
97.10152	6.0
98.21465	1.5
99.04427	1.9
99.08066	1.1
105.07012	2.6
107.08560	3.2
109.02853	3.7
109.06512	3.3
109.10127	2.5
111.04451	0.9
111.08052	1.8
119.08546	1.5
121.06524	0.9
121.10130	2.6
123.04401	8.9
123.07962	0.7
123.11684	40.1
127.03885	4.5
131.43681	0.6
133.02814	8.3
133.10109	3.1
135.04407	1.7
137.05908	1.7
141.12674	1.7
145.04910	1.2
147.04352	1.9
149.09583	1.0
151.03903	3.5
151.11162	8.4
152.07166	0.7
153.05470	1.3
154.05765	0.6
157.10088	1.0
163.03821	2.6
163.49843	0.7
169.12207	17.1
169.13580	1.3
177.05388	1.2
177.09169	0.8
179.03363	100.0
180.03685	1.6
184.07274	1.4
185.07674	0.7
187.13274	17.8
192.22551	0.6
197.04446	1.4
199.45300	0.7
295.15369	1.6
301.14227	1.4
313.16315	5.6
319.15189	1.0
331.17575	4.5
341.08597	0.9
477.18103	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74027	0.5
53.03926	1.6
55.05240	0.6
55.05502	8.0
57.03418	0.7
57.07051	1.6
59.04968	0.8
63.31064	0.4
67.05490	12.7
69.03418	3.8
69.07049	4.3
69.60936	4.4
70.06561	0.5
71.04979	5.9
73.02867	0.4
79.05477	6.1
81.03408	7.2
81.07040	59.6
82.07384	1.0
83.04955	0.7
83.08578	1.8
85.02888	4.4
85.06525	4.5
89.03868	0.7
89.06001	1.2
91.05452	2.4
93.07024	8.6
95.04949	4.9
95.08584	12.5
97.02872	2.3
97.06494	0.8
97.10150	6.5
98.20732	1.0
99.04432	1.7
99.08061	1.7
105.03344	0.5
105.07007	2.6
107.04935	0.5
107.08566	2.9
109.02849	4.5
109.06507	2.4
109.10112	2.1
111.04406	0.7
111.08040	1.7
117.06967	0.7
119.08565	1.4
121.10109	2.3
123.04412	8.5
123.08073	1.2
123.11681	41.1
125.09628	0.9
127.03893	5.5
131.08577	0.7
133.02821	7.7
133.10080	3.6
135.04385	1.4
135.08086	0.6
137.05922	2.8
141.12717	2.0
144.84575	0.5
145.04970	0.8
146.05222	0.4
147.04390	1.7
149.09532	1.2
151.03865	3.0
151.07512	0.5
151.11143	8.5
153.05457	0.9
157.10269	0.6
163.03870	1.2
169.12215	16.7
177.05513	0.8
179.03360	100.0
180.03786	1.0
181.04895	0.5
187.13260	18.6
205.06847	0.5
233.08101	0.6
274.10422	0.6
295.15411	1.5
313.16418	4.1
331.17538	6.2
341.08621	0.8
507.15479	0.5
509.30420	0.6
530.08569	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.01844	1.1
55.05503	6.6
57.03411	2.2
57.07057	2.1
59.04994	1.2
65.03902	0.8
67.05492	12.3
69.03398	3.8
69.07045	4.0
69.56898	5.1
71.04974	6.0
73.02332	0.6
79.05473	6.2
81.03416	6.9
81.07044	60.6
82.07383	0.9
83.04951	0.7
83.08604	1.2
85.02893	3.4
85.06512	4.1
89.03909	0.7
89.06011	1.7
91.05452	2.4
93.07034	6.7
95.04941	4.4
95.08594	14.8
97.02864	3.1
97.06513	0.8
97.10164	6.8
99.04449	1.5
99.08061	1.5
101.06000	0.6
105.07018	2.7
107.04929	1.0
107.08588	4.7
108.14931	0.6
109.02882	4.2
109.06499	2.7
109.10155	2.1
110.77261	0.6
111.08073	2.3
117.03345	1.1
119.08546	1.8
121.06535	0.6
121.10126	2.6
123.04413	8.5
123.08044	1.8
123.11687	42.0
124.12038	0.7
127.03866	5.3
128.98515	0.8
131.08522	0.8
133.02826	7.4
133.10100	3.1
133.96033	0.6
135.04378	2.3
135.08067	0.8
137.05945	2.1
141.12708	2.3
145.02831	0.9
147.04349	1.1
149.09631	0.7
151.03929	3.3
151.11166	8.5
153.05478	1.7
154.05762	0.6
163.03870	2.7
164.04237	1.3
169.12215	18.2
169.13582	1.3
173.13104	0.6
177.05435	1.3
179.03371	100.0
180.03735	1.5
184.07269	1.4
185.07596	0.7
187.07736	0.7
187.13261	17.3
313.16284	4.0
331.17548	5.9
341.08524	1.3
347.07550	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	10.8
55.01864	28.9
55.05503	48.7
57.03424	19.8
57.07060	4.8
59.04989	4.5
65.03916	5.9
66.01888	3.2
67.05141	5.6
67.05492	100.0
69.03385	9.3
69.07062	18.4
70.95480	9.8
71.04997	16.6
71.52189	3.0
73.02895	3.8
79.05479	65.4
81.03407	34.7
81.07037	67.7
83.01313	10.2
83.04971	38.9
83.08623	25.2
84.94407	2.9
85.02887	16.1
85.06512	5.9
91.05454	50.9
91.78872	3.2
93.07022	65.9
95.04954	27.9
95.08604	23.6
97.02855	4.0
97.06495	17.6
97.10146	17.6
99.04423	10.2
99.08048	4.7
105.07017	28.1
107.04936	27.3
107.08569	33.1
109.06480	21.5
109.10136	43.7
111.04411	29.3
111.08070	16.9
117.01652	3.6
117.06979	22.4
119.08542	25.1
121.06455	10.1
121.10114	24.4
123.08044	13.2
125.05988	6.2
125.09589	12.7
128.06102	3.5
129.06975	6.6
130.07790	6.5
131.08540	20.6
132.62944	3.6
133.10083	14.8
135.04424	4.4
135.08012	10.8
135.11694	26.8
137.09534	4.3
139.11119	3.7
144.48093	3.6
145.06494	4.0
145.10101	34.6
147.08066	7.0
149.09593	5.9
153.12730	17.6
155.08525	4.1
157.10088	6.6
163.11156	54.1
164.26884	3.2
173.09602	13.3
173.11739	5.9
181.12173	25.9
189.11093	6.4
191.10683	27.0
193.12228	4.1
199.13199	4.3
209.11656	21.0
211.13126	4.1
219.13795	5.7
227.12688	35.7
228.21638	4.1
235.10513	3.6
265.14383	5.0
267.16016	3.3
283.15286	46.8
367.22729	9.9
385.23694	5.1
437.25217	13.8
459.27472	8.4
491.26111	18.9
509.27115	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	12.4
55.01857	26.5
55.05502	58.4
57.03435	23.6
63.40093	3.4
65.03917	4.5
67.05495	87.7
69.03414	9.8
69.07057	42.5
69.38810	42.0
71.01336	5.1
71.04986	22.6
71.27770	3.1
78.94755	3.6
79.05024	5.3
79.05482	100.0
81.03403	42.3
81.07047	98.2
81.07532	4.4
83.04973	28.5
83.08603	39.9
85.02876	9.6
85.06525	10.7
91.05467	81.1
93.07036	89.1
95.04957	66.3
95.08588	41.1
97.02880	11.0
97.06506	23.6
97.10158	45.4
97.51628	4.0
99.04425	6.4
103.05454	6.2
105.07021	50.7
107.04937	54.2
107.08576	49.9
109.02858	5.9
109.06503	40.6
109.10143	27.3
111.04414	20.2
111.08054	12.4
115.05456	6.0
117.07005	24.6
118.02656	3.6
119.08575	36.1
121.06490	39.8
121.10130	46.3
123.08042	15.5
123.11704	8.6
125.06004	5.8
125.09612	36.8
127.85658	3.3
129.07007	18.2
131.04901	5.9
131.08542	31.9
133.06464	6.3
133.10086	18.7
135.08038	24.5
135.11690	19.5
137.05988	5.9
137.09605	3.7
139.11139	9.5
141.07013	6.1
142.07787	6.2
143.08557	7.0
145.06451	17.5
145.10124	26.5
147.04399	6.6
147.08037	12.5
147.11688	15.6
149.09592	20.0
151.11180	4.8
153.05415	5.0
153.09047	8.2
153.12724	7.5
155.08533	10.3
157.06418	5.1
157.10098	16.6
159.08026	7.7
159.11632	7.5
161.09688	6.4
161.13177	4.1
163.03914	10.0
163.11192	30.0
167.10674	11.7
169.10112	4.6
171.11656	5.4
173.09601	6.4
173.13235	6.7
175.11180	11.0
181.12206	12.1
185.13251	4.9
187.11105	5.2
187.14746	4.8
189.11182	23.2
191.10696	11.2
191.14276	9.7
193.12213	21.6
195.11720	6.2
199.13277	13.6
205.12178	5.7
209.11694	30.6
211.11452	3.6
211.13274	12.9
213.12674	5.4
215.14378	4.7
219.13744	27.4
223.13260	9.5
227.12688	36.3
233.15315	15.2
237.14870	7.7
241.12100	4.1
249.14798	7.1
259.13318	3.9
265.14453	6.2
267.15903	13.4
273.14639	8.8
273.17212	6.7
283.15326	18.9
287.03741	10.2
293.17493	20.6
339.23141	6.9
349.21585	17.0
367.22687	33.2
385.23584	34.6
403.24841	9.6
441.26251	11.1
459.27390	48.2
477.28372	34.1
491.29660	15.8
509.26605	15.1
509.30450	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	509.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.0
53.68611	4.8
55.01863	19.8
55.05502	61.5
57.03421	16.5
57.07058	5.4
59.04983	5.4
60.19154	4.2
63.45501	4.2
67.05492	99.4
69.03421	29.6
69.07052	43.5
69.68822	11.9
69.69223	33.7
70.06558	6.4
71.01331	6.9
71.04969	20.8
73.02913	8.0
79.05483	88.7
81.03397	43.9
81.06602	8.1
81.07041	100.0
83.01309	10.3
83.04967	41.5
83.08609	39.4
85.02916	30.2
85.06519	17.8
87.04463	5.2
89.06000	5.5
91.05470	72.8
93.07018	88.1
95.04965	40.8
95.08583	52.9
97.02876	19.7
97.06519	36.9
97.10124	23.9
98.20693	9.1
99.04433	5.5
99.08073	13.7
103.05454	6.1
105.07016	51.8
107.04951	30.8
107.08561	52.5
109.06509	28.3
109.10133	43.7
111.04430	40.5
111.08057	13.7
111.11692	6.7
112.69896	4.2
117.06993	25.0
119.08562	32.9
120.08039	5.7
120.08869	5.9
121.06499	15.6
121.10100	37.4
123.04431	12.2
123.08039	12.5
123.11686	19.8
125.06013	4.6
125.09611	17.8
129.06987	8.6
130.07719	4.7
131.08549	32.8
133.06500	9.8
133.10124	26.5
135.08025	17.3
135.11664	39.1
137.05977	13.6
137.13255	8.2
139.11188	9.4
145.06465	9.7
145.10101	50.8
147.04411	7.9
147.08017	7.3
147.11668	11.7
149.09619	13.9
149.13229	14.2
151.07532	8.4
151.11221	11.5
153.09109	6.6
153.12718	17.6
155.08524	7.9
157.10095	22.1
159.11665	14.5
161.09663	11.8
163.03914	10.2
163.11168	45.2
167.10674	6.7
167.14229	6.0
169.10121	7.2
171.11581	5.9
173.09602	10.7
173.13260	9.4
177.12820	5.8
181.12172	17.9
183.11742	7.9
185.13271	13.7
189.11223	6.8
191.10625	14.4
191.14354	5.8
193.12242	15.6
199.14775	7.0
201.12772	6.3
203.14322	20.8
205.12254	5.8
209.11653	68.2
211.13263	13.4
227.12784	43.6
233.11661	9.3
283.15268	28.9
347.25201	7.4
447.23596	7.9
491.21967	46.0
509.27386	65.4
509.74594	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	509.368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39904	3.4
53.03929	6.4
55.01854	8.8
55.05506	27.0
57.03417	3.5
57.07068	11.1
60.04514	2.9
66.68623	2.7
67.05499	35.2
69.03423	17.4
69.07060	58.9
71.04994	9.8
71.08633	5.8
71.70080	3.0
71.70489	5.1
79.05482	43.7
81.03398	13.1
81.07043	100.0
83.04958	8.7
83.08601	27.0
85.02893	19.1
85.06519	12.0
89.03900	5.9
91.05471	28.2
93.07025	41.2
95.04932	18.0
95.08595	79.5
96.08915	2.6
97.02876	8.7
97.06523	16.5
97.10148	19.0
99.04427	4.1
99.08082	10.7
103.05453	4.5
105.07021	60.7
107.04940	9.3
107.08578	36.7
109.02860	6.9
109.06510	10.4
109.10146	47.1
111.04475	6.0
111.08051	8.1
111.11713	14.5
115.05448	7.3
117.03398	6.2
117.07030	11.8
118.03676	3.6
119.04917	7.1
119.08550	18.0
121.02844	3.6
121.06498	15.5
121.10143	23.8
123.04424	7.0
123.08057	5.5
123.11694	31.5
125.05989	7.8
125.09624	9.2
125.13249	9.2
127.03904	9.4
128.06207	5.5
129.06995	9.0
131.08563	14.5
133.06480	10.4
133.10120	28.8
135.04414	10.2
135.08054	11.9
135.11665	15.6
137.05975	9.7
137.13222	17.6
141.06937	3.2
142.07733	3.9
143.08472	18.0
144.05692	3.6
145.02840	8.6
145.04970	4.5
145.06468	8.9
145.10085	14.3
147.04398	11.1
147.08041	11.8
147.11641	4.3
149.09607	6.1
149.13235	24.4
151.07527	5.6
151.14801	9.2
153.05452	49.2
154.05782	23.1
155.08578	9.7
155.14261	4.5
156.09306	4.7
157.06477	7.7
157.10136	13.6
157.42841	3.1
158.07242	3.6
159.08000	16.2
159.11700	8.3
161.06004	8.8
161.09601	34.1
161.17482	2.7
163.03902	35.5
163.07494	7.8
163.11203	6.2
163.14763	6.8
164.04187	16.4
165.06967	4.9
165.12712	2.8
165.16429	5.6
167.07135	4.7
167.08585	5.9
167.14319	6.8
169.10141	7.1
171.08069	11.7
171.11705	5.8
173.09631	26.7
173.11742	3.3
173.13226	5.0
175.07593	4.5
175.11145	5.1
177.05473	12.8
179.03419	7.8
181.10062	5.8
183.08061	7.0
184.07292	27.9
185.06165	3.0
185.07755	14.2
185.09592	14.7
185.13254	4.4
187.07530	5.5
187.11217	7.1
189.09094	10.1
189.16385	3.7
191.10675	6.2
193.10123	5.3
193.19507	4.5
195.08037	3.4
195.11723	6.6
196.08752	3.8
197.09627	5.4
199.07584	7.1
199.11208	13.4
201.09041	6.8
201.12866	3.8
205.12227	4.3
206.10847	3.9
207.11700	4.5
209.09528	9.0
209.11528	7.1
210.10347	5.3
211.11127	14.3
211.14865	3.9
212.11900	5.7
213.09137	5.0
213.12698	8.0
219.21085	3.8
221.09602	8.7
221.13303	3.8
223.11110	13.4
224.11981	3.9
225.09177	5.1
225.12767	12.4
227.10616	5.0
227.14359	8.4
227.20073	13.7
229.12213	10.6
234.10251	3.3
235.11186	5.4
236.11749	4.0
237.12753	13.6
239.10550	6.0
239.14342	10.2
241.12189	6.7
243.13721	6.9
245.11743	4.7
247.11156	7.7
247.14793	4.4
248.11826	3.1
249.12784	10.8
251.10620	6.5
253.12279	8.3
255.13785	5.5
257.15421	6.2
261.12790	6.1
263.14343	4.3
265.12161	7.1
272.11920	4.2
273.12778	3.7
273.16501	3.0
274.82028	2.9
275.14212	6.1
275.27325	11.3
276.15033	4.8
277.12231	5.0
277.15817	8.8
286.13248	3.4
287.14230	9.3
290.16656	5.4
291.17343	6.2
291.39755	3.2
292.14496	3.0
293.15430	7.9
293.28333	28.2
301.15781	4.8
302.16367	3.2
305.15356	11.7
309.18222	4.9
311.29465	7.1
315.17291	4.1
318.16092	5.0
319.16937	7.8
320.17593	9.7
321.14877	3.5
323.16376	3.8
331.17017	6.6
333.18338	3.4
337.17902	3.5
338.18655	8.5
343.16791	4.8
361.17920	10.0
371.20193	4.2
379.18976	27.3
387.19406	3.8
399.23187	4.0
401.20911	3.1
403.19095	4.1
409.20856	6.8
415.22720	7.8
417.23917	8.1
427.22852	16.1
433.24142	6.0
443.22531	3.3
445.23694	53.7
446.23911	9.2
463.24698	35.3
473.23328	6.5
491.24106	15.1
509.17883	5.1
509.25409	77.9
510.26071	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04802	2.4
52.16550	2.3
53.03923	9.8
55.01854	13.5
55.05503	59.0
55.97803	2.6
57.03425	21.7
57.07059	6.6
65.03932	5.2
67.05495	89.9
69.03408	15.4
69.07062	26.1
71.01349	19.1
71.04971	16.3
71.08613	3.4
71.70271	4.6
79.05482	78.2
81.02935	5.7
81.03403	87.9
81.03876	4.8
81.07046	98.8
83.04972	24.4
83.08610	47.8
85.02895	38.9
85.06527	11.5
91.05468	77.4
92.05787	3.1
93.07031	62.0
95.04948	51.7
95.08588	39.2
97.02884	12.9
97.06509	19.1
97.10158	19.4
99.00800	6.9
99.04430	5.9
99.08085	3.0
105.07009	60.3
107.04961	20.5
107.08574	44.3
109.02852	7.9
109.06494	23.2
109.10131	43.7
111.04424	13.4
111.08068	17.5
111.11649	3.3
113.06017	6.3
113.76814	3.0
115.05438	5.7
117.07017	18.4
119.08574	41.5
121.06502	11.6
121.10120	22.1
123.04400	3.9
123.08058	12.5
123.11699	11.7
124.53117	2.4
125.09616	17.1
127.03938	3.8
128.06184	4.7
129.06961	18.3
131.04861	4.1
131.08568	25.5
133.06483	5.4
133.10115	42.0
135.08025	8.9
135.11668	11.1
137.05972	6.0
137.09543	5.8
139.11191	3.4
142.07744	4.6
143.08553	4.7
145.10103	12.1
147.04390	7.0
147.08031	6.5
147.11656	23.8
149.05916	3.1
149.09607	11.6
149.13222	5.9
151.07597	3.3
151.11133	12.8
153.05496	2.9
153.07036	2.9
153.09116	6.0
153.12717	4.4
155.08501	3.9
157.10103	19.4
159.11682	4.3
161.05994	3.2
161.09581	13.3
163.03906	7.5
163.11200	11.5
165.12759	5.0
167.07085	3.3
169.10094	3.9
173.09589	4.6
173.13275	3.3
175.11148	20.8
179.10663	3.3
181.12256	4.0
189.09090	3.8
191.10622	3.5
191.14252	3.3
193.12209	82.0
194.12589	3.1
197.11743	3.0
199.11284	3.1
199.13142	4.1
203.14360	3.7
209.11731	10.7
211.11229	4.6
211.13264	91.7
212.45364	2.6
215.10805	3.3
219.13850	6.0
223.13191	3.3
225.11183	18.5
227.12836	10.3
233.11818	4.8
253.14320	4.1
267.15927	5.6
283.15381	6.9
293.28555	4.2
463.24515	2.9
491.26215	5.5
509.27417	100.0
510.27731	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	510.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55025	0.3
55.05494	0.9
56.05017	1.3
57.03412	0.5
57.07064	3.4
58.06584	1.4
59.07375	0.5
60.08155	16.2
61.83369	0.3
62.58802	0.4
67.05480	1.2
69.07046	0.8
69.37868	4.7
71.07361	5.7
71.08620	2.9
79.05463	0.6
81.07047	1.8
83.08598	0.7
85.10172	1.7
86.09692	48.2
87.10019	0.4
93.07011	0.5
94.52203	0.5
95.08584	1.9
97.10147	0.7
98.98432	3.7
104.10726	97.5
105.06929	0.5
105.11059	0.6
109.10155	0.5
119.08591	0.6
124.99982	27.6
129.83247	0.4
131.08549	0.6
143.01041	0.7
155.08609	0.5
163.01540	0.8
169.10144	0.5
171.11606	0.4
171.24524	0.4
184.07315	100.0
185.07619	0.6
185.13190	0.5
191.27043	0.4
195.51176	0.4
258.11020	1.3
259.79657	0.4
313.27347	0.4
324.66617	0.4
327.28979	1.4
419.30225	0.4
433.26505	0.6
436.32831	0.5
492.34470	7.9
493.34412	0.5
510.35617	23.6
511.35925	1.2
531.14941	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94829	2.6
55.05495	7.3
57.03411	3.4
57.06805	3.0
57.07071	44.3
61.02902	3.1
67.05489	16.7
69.07050	10.8
71.08295	3.5
71.08620	36.4
81.07044	17.7
83.08616	17.3
85.02882	5.5
85.10152	19.7
93.06993	3.0
95.08592	30.4
96.06770	2.7
97.02857	5.3
97.10143	7.7
98.20657	6.5
104.10683	3.8
105.07013	2.8
109.10143	16.0
123.11688	5.8
131.21552	2.8
145.04929	3.5
186.97720	2.9
221.22549	3.2
233.42340	2.7
239.23647	42.3
257.24741	5.6
313.27325	100.0
313.30988	5.3
331.28415	15.2
359.07791	3.0
383.27948	6.3
401.28915	10.7
439.96664	2.8
510.36798	4.4
534.10016	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	511.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.2
55.01866	17.5
55.05505	19.4
57.03440	11.0
57.03667	1.6
61.02918	29.4
65.03919	4.2
67.05496	45.0
69.03418	22.2
69.07057	35.1
69.56651	1.8
69.56971	18.1
70.07373	1.9
71.01331	3.7
71.04968	6.9
73.02912	14.9
77.63374	1.7
77.98569	1.7
79.05479	34.9
81.03407	33.8
81.07044	60.2
81.17448	1.8
83.04961	10.6
83.08603	10.9
85.02891	33.0
85.06520	2.7
87.04436	2.4
91.03946	19.1
91.05465	58.3
93.07029	38.2
95.01332	11.6
95.04966	10.8
95.08594	34.5
97.02879	27.7
97.06519	30.9
97.10162	5.5
99.04436	6.9
99.08107	2.2
101.02348	10.1
103.03926	2.4
105.07015	74.6
106.07382	2.9
107.04945	19.0
107.08567	21.9
109.02872	10.6
109.06505	5.4
109.10147	12.3
111.04436	3.1
111.08057	4.4
117.06998	15.4
119.08562	35.3
121.06483	5.5
121.10157	9.1
123.04415	2.8
123.08049	6.8
123.11697	4.1
125.09620	2.7
127.03905	17.9
128.06259	1.9
129.06985	5.3
131.08551	24.6
133.09172	3.5
133.10110	51.6
135.08035	6.1
135.11670	8.7
137.05954	2.1
139.07501	2.6
141.06978	2.7
143.08536	5.3
145.04892	4.2
145.06520	4.5
145.10114	20.7
147.11665	17.9
149.06686	1.8
149.09618	7.1
149.13252	3.8
151.57365	1.9
153.12837	1.9
155.08501	2.9
157.10150	6.8
159.08041	2.8
159.11665	16.9
161.09583	2.2
161.13278	5.4
163.11177	8.2
165.09050	3.0
169.10114	3.1
171.11639	4.5
173.13286	5.3
175.11194	3.7
177.12648	4.5
179.14278	21.5
181.12119	2.9
183.06534	3.9
183.11694	3.7
185.13307	2.3
187.11139	5.8
191.10632	2.8
193.12238	6.0
197.13174	2.9
211.13240	3.3
229.19408	3.6
232.22458	1.9
239.17963	3.5
241.14333	3.5
247.20537	2.7
257.18945	11.5
267.15973	3.4
275.20010	100.0
293.20853	2.5
313.21918	2.2
313.79568	1.8
349.23666	37.3
350.23904	2.3
377.23370	5.1
391.24966	2.3
404.26346	2.2
411.11243	1.9
457.25870	2.9
493.27924	4.5
511.28806	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	511.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28653	2.7
53.03928	11.0
53.70667	2.7
55.01851	14.4
55.05501	30.8
57.03427	29.1
57.07070	3.4
61.02911	13.1
65.03926	4.9
67.05496	75.4
69.03420	46.5
69.07059	30.5
70.45988	12.3
71.04974	10.8
73.02916	5.7
78.44168	3.0
79.05481	69.2
81.03409	76.2
81.07049	100.0
82.07384	3.3
83.04977	24.3
83.05388	4.6
83.08608	15.2
85.02892	32.1
85.06551	3.8
91.03954	4.2
91.05466	67.1
93.07031	63.7
95.04955	19.9
95.08594	48.3
97.02882	37.6
97.06531	14.8
97.10152	5.5
98.20733	4.2
99.04430	11.7
101.02329	4.0
103.03905	4.0
103.05400	5.5
105.07012	63.3
107.04937	10.4
107.08576	36.0
109.02892	17.0
109.06503	14.2
109.10155	25.7
111.04411	9.4
111.08063	7.5
115.05488	3.8
117.06992	25.2
119.08575	46.5
121.06483	10.5
121.10114	18.6
123.08069	7.9
123.11677	11.7
125.09614	5.6
127.03918	21.3
129.05444	7.5
129.06978	10.2
131.08537	32.9
133.06482	5.0
133.10104	39.3
135.08063	8.3
135.11662	13.8
137.09589	4.9
139.07530	3.6
139.11209	3.8
141.07040	4.9
143.00096	2.9
143.08588	7.7
145.04927	6.8
145.06519	4.6
145.10156	21.6
147.08017	6.5
147.11674	26.9
149.09610	12.9
149.13240	13.2
151.11249	7.2
157.10101	12.5
159.11705	31.6
161.13205	6.9
163.11140	13.2
165.12717	4.1
169.10182	4.0
171.11679	6.6
173.04431	21.9
173.05698	3.3
173.09595	6.4
173.13239	7.4
175.11224	6.5
177.12712	5.6
181.12143	4.0
183.06456	3.8
183.11632	7.3
185.13231	5.2
187.11266	4.3
187.18613	3.1
190.58730	3.1
192.83591	3.1
193.12262	7.4
195.13806	4.4
197.13231	3.8
201.12659	4.0
209.11635	4.2
211.13148	5.9
229.19565	4.7
239.17888	6.1
247.20525	5.5
257.19009	14.1
267.15866	6.0
269.17407	6.8
275.20032	67.8
283.15411	5.9
293.21240	4.4
297.05826	4.1
339.18091	3.3
349.23682	57.1
413.21564	19.6
419.24374	3.9
451.53702	4.0
457.25668	6.6
493.27655	10.6
511.28937	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	512.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
53.67078	0.5
55.60332	0.6
69.03415	1.5
70.06578	0.7
70.08657	1.3
70.09074	2.4
76.64110	0.6
79.05476	2.0
84.04489	1.4
85.02887	2.0
91.05462	2.5
91.76936	0.5
93.07034	2.1
94.06525	0.6
95.04963	1.3
97.02864	1.4
98.97577	1.0
100.97813	0.6
103.05439	7.5
105.07001	0.7
106.44884	0.6
107.04929	2.6
109.02876	0.6
120.08085	100.0
121.06491	6.4
121.08421	1.8
123.07968	0.6
127.03931	1.1
130.05016	0.7
131.04944	3.2
132.05168	0.6
146.53203	0.5
148.06039	1.8
148.07562	1.3
149.05952	14.4
166.08607	51.6
167.05760	0.5
167.07008	11.5
167.08405	1.0
167.09013	0.7
185.08057	0.7
219.01726	0.7
231.46527	0.5
237.02751	0.8
240.13899	0.7
268.13309	1.0
286.14352	1.8
314.13742	7.7
332.14767	2.2
374.34705	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01862	2.2
55.05503	6.6
57.03423	2.4
61.02913	4.5
65.03923	2.9
67.05494	6.5
68.64900	1.7
69.03420	13.5
69.07044	4.3
70.06580	7.1
71.04977	5.7
71.50481	3.1
75.04456	2.1
79.05481	12.8
81.03406	6.0
81.07038	13.8
83.04971	5.0
83.50822	2.0
84.08154	2.0
85.02886	52.0
90.03617	2.1
91.05465	17.9
93.07029	77.4
95.04955	6.5
95.08598	25.3
97.02869	12.8
97.06528	4.9
99.04408	3.1
105.07003	7.6
107.08579	100.0
109.02871	5.8
109.06464	3.9
109.10145	9.4
110.06016	2.3
119.08536	2.8
127.03886	11.2
131.30022	2.3
133.10175	2.2
135.11674	85.3
137.13246	3.1
138.05481	2.5
145.04955	18.4
147.04349	2.9
153.12724	26.4
161.08405	1.9
163.03784	2.1
163.05969	3.7
166.15768	2.0
171.13873	2.5
177.05400	4.0
204.12234	2.6
377.87531	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.7
55.01865	1.0
55.05499	3.8
57.03418	2.3
60.27314	0.9
61.02924	5.0
67.05482	4.3
69.03420	5.8
69.07050	4.5
70.75311	1.2
70.75676	3.3
73.02908	1.9
79.05486	13.3
81.03418	2.4
81.07029	6.7
83.04964	2.4
85.02893	34.2
87.04462	1.0
91.03933	1.2
91.05461	17.4
93.07030	85.6
95.04964	5.2
95.08591	15.6
97.02872	10.0
97.06495	1.0
105.07014	5.8
107.08574	100.0
108.08884	1.4
109.02872	3.9
109.06514	3.1
109.10133	2.3
119.08552	2.8
127.03875	7.1
133.10095	1.6
135.11673	95.0
136.12013	1.3
137.13223	1.9
145.04930	14.4
147.11707	1.7
147.69098	0.9
153.12737	18.5
163.05986	6.7
172.22327	1.0
177.12582	1.4
182.89514	0.9
261.14828	1.3
285.86032	0.9
297.17075	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.2
56.79480	1.2
57.03428	2.2
58.99828	1.5
61.02904	3.7
69.03416	9.4
69.89487	6.2
73.02896	2.7
77.00883	2.6
81.03391	4.6
81.33859	1.0
82.99859	2.4
85.02895	18.1
91.03903	1.5
93.25172	1.1
94.94442	1.1
97.02889	7.5
98.20789	2.2
98.97548	3.1
99.04396	1.5
101.00844	12.1
103.02412	4.8
109.02876	2.9
113.00855	2.4
115.02409	2.4
116.98593	1.8
117.03960	2.0
119.01905	31.0
121.01659	1.4
121.03461	2.1
121.06487	1.9
127.02402	5.0
127.03867	7.0
129.00389	1.4
129.03952	1.6
131.01880	14.1
133.03427	7.3
135.04979	2.6
137.01938	1.5
137.02911	3.8
139.02368	3.2
143.01874	25.6
145.03438	29.3
145.04842	3.9
147.01340	5.9
147.04984	2.4
149.02927	2.2
149.05881	2.6
149.61087	1.2
155.01862	23.7
157.03447	19.1
159.03166	1.6
159.04994	3.7
160.04715	1.3
161.02930	36.5
163.04498	5.7
165.02386	1.5
167.01866	9.6
169.02116	1.2
169.03249	5.4
169.05325	2.1
170.99860	2.0
171.01344	11.7
171.05006	6.6
173.02936	35.3
174.03053	1.4
175.03127	1.2
175.04459	6.0
178.04918	3.8
179.01872	4.5
179.05634	1.3
181.03429	1.4
183.01361	2.5
183.04968	1.6
184.04591	2.1
185.02919	48.8
185.06526	1.8
186.03003	1.9
187.04491	12.1
189.00810	1.1
189.02429	25.4
189.04071	1.0
189.06075	1.7
190.02551	1.4
191.03983	1.7
192.04564	1.2
193.03568	1.5
193.05359	1.2
195.07098	2.1
196.04485	1.4
197.02927	17.8
199.04504	3.9
201.02397	2.9
201.06183	1.6
203.03955	18.6
205.05568	1.5
207.03439	10.5
208.04625	1.5
209.02878	2.5
211.04457	1.5
213.02396	4.6
215.03979	9.4
215.78799	1.4
217.05544	2.8
219.01799	1.9
219.05179	1.4
219.07166	4.2
221.05020	15.7
223.04607	1.3
223.06641	1.6
224.04469	2.3
225.02414	1.8
227.03989	10.1
231.03464	85.7
231.07155	5.1
232.03596	2.5
233.05067	1.5
233.08751	1.8
235.06601	2.1
237.02730	1.6
239.06110	11.9
243.03471	13.4
245.05034	100.0
246.05136	5.0
247.04672	1.5
247.06831	1.7
249.04422	9.3
250.07463	4.2
251.08064	2.1
255.03481	5.2
255.07146	2.2
257.05096	6.5
259.08182	4.7
260.08221	2.3
261.04584	14.6
261.07162	1.7
263.06100	29.0
264.06250	1.4
265.07953	1.8
271.06485	1.3
272.06064	1.7
273.04550	3.1
273.08087	1.3
275.06070	45.7
275.09082	2.3
276.06290	1.8
289.07742	1.5
291.05603	15.2
293.07217	5.3
301.03632	1.3
305.07166	13.3
307.08701	3.3
315.05551	2.5
317.07153	1.8
321.10260	20.2
333.06549	21.3
333.10349	0.9
335.08105	3.3
337.09897	8.0
338.09848	1.6
339.09503	2.3
340.10123	2.6
341.10651	1.4
341.61505	1.3
351.07660	13.4
351.11331	2.6
365.09418	11.3
367.11014	1.8
383.10190	4.4
393.08661	3.0
406.12515	1.4
495.12042	6.5
513.12634	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95626	1.8
53.03915	2.6
55.05484	2.5
57.03421	2.8
58.08310	1.8
67.05482	7.8
69.03415	4.4
69.07050	4.2
70.06577	7.9
70.65012	2.1
71.04979	3.1
71.70257	3.7
72.08125	2.3
73.69899	1.8
79.05457	4.3
80.86977	1.8
81.03397	4.0
81.07035	9.2
83.04959	2.1
85.02905	22.5
91.05461	5.7
93.07031	16.0
95.04945	3.5
95.08591	100.0
97.02866	9.4
97.06534	11.2
99.04459	3.0
99.08094	2.5
105.07055	2.0
107.08572	18.3
109.02850	4.7
109.10135	5.8
117.95770	1.8
119.04900	2.1
122.05997	2.1
123.11676	7.6
124.07600	2.5
127.03891	6.7
135.11694	16.7
136.06172	15.4
136.07544	3.3
137.05939	3.6
145.04945	6.5
147.04402	7.7
153.12723	44.9
163.05986	2.0
171.13739	11.9
178.04897	2.9
189.14825	12.3
202.10854	3.0
206.04468	4.7
220.11873	8.0
315.09692	2.0
351.11884	3.3
382.17215	10.0
513.15619	86.7
514.21381	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.8
53.03948	3.2
53.62888	2.0
55.01854	4.1
55.05495	10.1
56.32227	1.7
57.03433	8.2
57.07062	3.4
61.02922	18.1
64.93025	1.5
65.03958	2.2
65.91207	2.0
67.05495	29.7
69.03423	11.3
69.07053	10.6
69.98279	1.7
71.01340	2.6
71.04980	4.0
73.02901	7.1
79.05486	31.9
81.03419	8.8
81.07045	32.0
83.04962	4.6
83.08605	5.4
84.43948	1.8
85.02885	15.8
85.06528	3.1
89.19290	1.6
91.03944	9.6
91.05460	33.5
93.07028	43.4
94.24036	1.8
95.04968	8.3
95.08587	23.0
95.49329	1.9
97.02868	10.6
97.06496	4.8
97.10136	2.6
98.20741	4.6
99.08102	2.2
102.35036	1.7
105.07013	35.6
107.04916	2.0
107.08578	28.9
109.06514	4.2
109.10138	9.1
110.16354	1.7
111.04387	1.8
111.08044	2.2
115.05519	1.7
117.07007	14.5
119.08559	37.5
121.06549	2.4
121.10124	22.7
123.08056	3.6
123.11642	2.2
125.09619	1.7
127.03903	2.8
129.05479	1.9
129.06976	11.4
131.08549	23.4
133.10112	28.3
135.11687	21.4
141.06973	3.0
143.08501	10.8
145.10109	20.1
147.04428	2.2
147.07941	1.8
147.11664	30.9
149.09579	4.1
149.13240	12.7
151.11137	2.3
155.08594	2.8
157.10077	10.4
159.08022	2.3
159.11684	18.8
161.09581	4.1
161.13222	21.3
163.11162	3.7
163.14796	6.9
167.08600	1.6
169.10091	3.4
171.11652	12.1
173.13222	12.4
175.11220	4.4
175.14810	12.9
177.12621	2.4
183.11632	2.7
185.13277	10.0
187.14787	4.5
189.16389	2.0
193.12234	2.3
197.13165	3.4
199.14871	8.3
201.12827	1.7
203.14314	2.6
213.16328	3.6
215.18150	2.1
229.71547	2.7
231.03426	2.6
231.17403	2.2
231.21046	4.8
241.19511	20.6
257.18967	3.7
259.20532	46.4
271.20514	2.1
275.19937	2.3
277.21460	3.7
301.21545	2.3
325.21469	2.2
333.23904	2.1
349.23712	7.5
351.25253	100.0
352.25674	3.2
363.25247	5.5
367.22705	4.3
375.25330	3.6
385.23639	3.3
403.25055	1.8
413.21158	2.2
417.25888	1.8
441.26364	4.8
459.27350	4.9
477.28296	4.5
495.29321	8.8
513.17865	1.9
513.30249	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92992	1.1
53.03928	2.5
55.01862	2.3
55.05503	11.0
57.03426	6.9
57.07062	2.1
61.02664	1.2
61.02922	17.2
65.03915	2.4
67.05497	29.3
67.79375	1.3
69.03419	8.2
69.07062	9.8
69.55343	4.7
69.55775	5.4
71.01337	1.8
71.04987	2.6
71.08610	4.1
73.02915	6.5
75.04465	2.1
79.05482	35.4
81.03394	4.7
81.07048	36.4
83.04942	4.0
83.08608	7.6
85.02896	16.3
85.06520	3.3
88.58631	1.1
91.03455	1.2
91.03940	8.8
91.05465	28.2
93.07028	48.1
95.04952	6.4
95.08590	23.6
97.02874	11.8
97.06513	2.5
97.10155	1.9
99.04408	2.0
99.08073	4.9
101.02340	1.2
105.04518	1.2
105.06329	2.2
105.07011	31.2
107.04927	1.9
107.08578	29.5
109.02834	2.4
109.06496	2.8
109.10158	10.5
111.08080	1.4
115.05439	1.2
115.09057	1.1
117.06992	8.2
119.07721	2.0
119.08569	31.9
121.06424	1.9
121.10131	26.4
123.08067	2.7
123.11648	1.4
127.03883	2.6
129.05475	2.1
129.06976	6.0
131.08546	17.5
133.10114	23.8
135.08026	2.5
135.11671	20.5
137.09604	2.9
143.08540	7.4
144.09164	1.3
145.04982	2.0
145.10091	18.2
147.08049	1.9
147.10568	2.1
147.11664	26.2
149.09572	2.0
149.13228	15.5
151.11176	3.0
155.08542	1.7
157.10123	7.4
159.11687	15.8
161.09642	2.0
161.13240	19.7
163.11139	3.7
163.14801	4.2
167.08540	1.2
169.10121	1.4
171.11676	9.5
173.13228	10.7
175.11110	2.6
175.14793	10.4
177.12743	2.2
179.14294	15.0
181.10193	1.3
183.11620	2.1
185.13246	8.1
187.14792	3.1
189.12746	2.1
195.11638	1.4
195.13589	1.1
197.13246	2.0
199.14774	5.7
201.16324	1.2
203.14368	1.7
207.13815	1.3
213.16299	3.6
231.17346	1.8
231.21040	2.8
241.19473	20.9
257.18991	1.9
259.20538	42.9
271.20599	1.4
275.20074	1.3
277.21649	15.6
313.21381	1.7
333.24121	5.6
349.23639	6.2
351.25269	100.0
352.25574	1.6
363.24966	2.3
367.22729	2.0
385.23773	2.1
403.24637	1.4
429.26151	1.5
441.26062	4.9
459.27133	4.0
477.28168	3.9
495.29376	5.1
513.30188	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	513.3051
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03933	3.3
53.81513	2.1
55.05499	9.2
57.03425	6.5
61.02918	16.2
67.05493	25.8
69.03409	3.4
69.07043	9.5
69.60654	3.4
69.61072	15.0
71.04984	5.2
73.02885	7.0
79.05482	29.4
81.03419	3.8
81.07041	28.8
83.08594	4.3
85.02878	11.7
85.06532	2.9
91.03941	5.3
91.05456	24.6
93.07030	50.1
95.04962	4.0
95.08584	21.3
97.02872	6.9
99.04449	2.8
99.08096	2.7
105.07020	26.5
107.08573	27.1
109.06523	2.7
109.10161	8.4
117.07022	8.0
119.08573	28.8
121.10110	22.6
122.56678	2.5
129.06990	6.5
131.08559	16.4
133.10114	26.8
135.11664	21.1
141.06940	2.2
143.08540	6.8
145.04980	2.6
145.06406	2.3
145.10103	20.3
147.11642	23.5
149.13254	13.9
157.10138	9.6
159.11691	11.1
161.13228	16.8
163.11140	3.1
163.14789	7.6
169.10089	3.0
171.11670	6.2
173.13210	7.4
175.14777	13.4
177.12723	2.9
177.16414	2.4
185.13206	11.4
187.14731	2.8
199.14801	5.4
207.40915	2.2
213.16460	2.4
217.19504	2.5
231.20958	3.5
241.19403	21.8
259.20526	50.0
266.92746	2.4
277.21524	7.1
308.47107	2.3
330.73517	2.3
333.24203	9.3
343.21997	2.2
349.24002	4.9
351.25259	100.0
437.96469	2.6
441.26401	4.6
459.27393	3.6
477.28372	6.6
495.29343	4.1
513.30682	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3052
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
50.70186	1.3
53.03936	2.6
55.01853	1.8
55.05511	9.1
57.03438	7.0
57.07060	1.9
61.02920	15.3
65.03927	2.0
67.05184	2.0
67.05501	22.2
67.16581	1.3
69.03419	7.3
69.07062	8.8
71.01297	1.7
71.04983	3.7
71.08604	4.3
73.02898	5.4
75.04499	1.6
79.05486	31.5
81.03407	4.0
81.07043	33.8
83.04974	1.6
83.08599	3.5
85.02911	17.0
87.95975	1.3
89.33224	1.4
91.03963	7.7
91.05467	26.6
93.07031	41.6
95.04953	4.1
95.08604	20.7
97.02871	10.6
97.06508	2.7
97.10143	2.2
98.20640	2.6
99.04421	2.4
99.08073	4.6
101.02352	1.7
105.07014	26.1
107.04923	2.5
107.08579	27.1
107.09248	2.4
109.02865	2.2
109.06503	2.0
109.10124	6.6
117.07009	9.3
118.42799	1.4
119.08559	22.9
121.06478	2.8
121.10135	21.8
123.11714	2.3
127.03864	3.7
129.05405	1.5
129.06996	6.2
131.08553	14.6
132.79749	1.4
133.10118	28.0
134.30635	1.6
135.07942	2.0
135.11673	24.1
137.09619	2.7
141.06995	1.4
143.08537	6.3
144.09241	2.6
145.04874	2.3
145.10065	14.3
145.34477	1.3
147.07970	1.5
147.11696	21.1
149.13237	15.3
151.11151	2.2
157.10109	6.9
159.11679	15.1
161.09549	1.8
161.13217	21.4
163.11171	1.8
163.14752	5.7
169.10066	2.0
171.11671	9.8
173.13223	8.2
175.11206	1.5
175.14813	11.5
177.12697	3.2
179.14272	11.1
185.13252	6.4
187.14783	2.1
189.09163	1.4
189.12737	1.9
199.14812	6.7
211.14716	1.8
213.16316	3.1
217.19485	1.9
220.70363	1.6
231.21060	4.9
239.17877	1.7
241.19450	19.3
259.20566	42.6
260.20886	1.7
271.20639	1.6
275.20001	1.7
277.21524	13.6
291.52945	1.3
333.24213	7.6
349.23706	4.4
351.25256	100.0
352.25555	2.5
363.25308	1.9
375.25073	2.1
441.26044	2.8
459.27319	4.7
477.28415	3.3
495.29282	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01300	1.6
53.03931	3.9
55.01851	4.3
55.05501	10.6
57.03412	3.5
57.07071	2.5
61.02918	19.1
64.51610	2.0
66.61092	1.8
67.05496	24.0
69.03414	6.2
69.07050	12.5
69.54404	5.5
69.54829	13.0
71.04990	2.0
71.08624	1.9
73.02892	6.4
73.77293	1.8
79.05484	29.5
81.03415	3.8
81.07051	29.0
81.07497	3.9
83.04960	2.6
83.08603	5.3
85.02888	13.1
85.06538	2.3
91.03957	10.0
91.05463	28.4
93.07033	37.2
95.04944	4.6
95.08604	22.5
97.02881	11.2
97.06517	3.3
98.21457	3.5
99.04441	2.2
99.08098	3.5
105.07011	31.1
107.08587	20.5
109.10127	8.8
117.07010	9.1
119.08570	32.6
121.10120	18.3
122.24265	2.0
127.03899	3.7
129.07011	9.4
131.08546	15.7
133.10136	27.4
135.11670	21.5
143.08563	9.7
145.10101	17.9
147.11688	24.8
149.09578	2.3
149.13251	12.7
155.08511	3.1
157.06467	2.5
157.10063	8.9
158.70865	2.1
159.11665	16.0
161.13261	22.3
163.11063	2.3
163.14717	5.2
169.10146	3.9
171.11671	9.2
173.13249	10.8
175.14752	10.3
183.11708	3.2
185.13261	11.0
187.14861	2.3
189.12743	2.7
195.11723	2.3
199.14819	6.7
213.16388	3.5
215.17741	2.2
231.17419	2.7
231.21063	3.6
241.19458	16.6
257.15323	2.0
259.20538	49.4
271.20734	2.7
277.21683	3.0
343.22668	2.1
349.23743	7.0
351.25259	100.0
352.25580	3.4
363.25168	3.7
417.26224	3.8
421.25754	2.6
441.26331	6.3
459.27487	4.9
477.28397	5.4
495.29398	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	513.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
53.04183	1.8
55.01860	2.9
55.05509	12.0
57.03418	6.3
57.07061	4.5
61.02909	2.7
62.27883	2.0
67.05496	38.9
69.03416	14.1
69.07062	24.4
70.06564	6.2
70.12653	1.8
70.12970	11.1
70.89447	2.0
71.04982	79.0
73.02895	3.4
73.06563	2.3
77.29237	1.7
77.57448	2.1
79.05483	22.6
81.03401	8.3
81.07041	42.8
83.04961	5.3
83.08598	11.6
84.08129	2.2
84.69230	1.9
85.02897	27.3
85.06538	18.4
85.30226	2.0
87.04443	4.1
91.05454	19.5
93.07029	49.0
95.04933	5.9
95.08589	31.9
97.02860	8.9
97.06512	16.0
97.10105	3.3
98.16858	2.0
98.21364	2.1
99.04450	2.5
99.08080	3.1
100.11210	2.2
105.07001	10.5
107.08560	17.6
109.02850	7.2
109.06487	4.9
109.10123	18.3
111.08078	25.6
111.11691	2.4
113.09612	5.4
117.07029	2.5
119.08568	7.9
121.10133	15.2
123.11653	5.9
125.09633	4.0
125.19056	2.1
127.03880	7.2
127.11161	5.9
129.09094	58.1
131.08543	4.8
133.10094	8.4
135.11661	15.6
136.07526	5.1
137.13303	2.0
139.11140	5.0
145.04903	5.1
145.10101	7.6
147.04384	4.7
147.11757	4.1
151.11151	4.4
153.12712	8.2
154.08617	3.4
159.11673	3.4
161.09579	2.3
161.13249	3.7
177.16406	2.1
178.04918	3.9
186.33597	2.0
189.12695	2.7
195.17426	3.2
197.15288	3.2
201.84706	2.1
213.18422	3.1
222.87556	2.2
243.20804	1.9
261.22064	7.1
279.23151	15.3
297.24179	34.4
315.25244	100.0
333.26288	26.3
351.27393	18.7
453.18805	3.4
481.17966	2.9
513.19965	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	513.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	1.4
53.03923	3.4
55.01867	5.2
55.05505	16.2
57.03433	3.1
57.07059	3.0
61.02909	3.6
67.05492	46.4
69.03423	13.3
69.07053	37.4
69.49656	2.9
69.50057	15.1
70.06572	3.7
71.04981	92.6
77.05941	1.7
79.05482	22.4
81.03405	7.6
81.07043	45.8
83.04964	5.2
83.08608	12.0
85.02887	26.5
85.06531	20.0
86.09695	2.7
87.04447	4.9
91.05469	19.6
93.07031	60.9
95.04943	5.3
95.08588	35.7
97.02888	9.0
97.06512	24.6
97.10143	4.0
99.08069	4.0
101.02405	1.6
101.47713	1.7
105.07018	7.6
107.08569	24.2
108.08933	2.1
109.02881	4.7
109.06498	4.5
109.10133	22.1
111.08070	28.9
111.11655	3.1
113.09630	2.9
119.08580	4.8
121.10119	20.3
123.07980	2.2
123.11671	6.1
125.09606	2.5
127.03909	6.3
127.07526	3.8
127.11170	7.7
129.09094	70.3
129.10059	4.0
131.08536	3.6
133.10098	4.5
135.07976	2.0
135.11671	20.4
135.44920	1.6
136.07549	2.5
136.12007	4.2
137.09560	4.2
139.11182	7.4
139.87805	1.6
145.04915	4.9
145.10074	4.2
147.04362	3.4
147.11708	2.5
149.13316	2.4
153.12764	10.6
161.13226	3.8
163.14850	1.7
166.08476	1.7
171.13756	4.9
173.13283	1.8
178.04962	6.3
179.14313	2.3
197.15349	4.0
198.84058	1.8
206.04428	6.2
213.18466	2.8
216.42233	1.7
241.06985	1.8
250.86488	1.8
261.22089	6.3
272.19125	1.6
279.23199	18.9
297.24210	36.0
315.25244	100.0
333.26260	26.4
351.27417	19.4
403.51785	1.9
412.26956	1.9
513.27209	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	514.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15241	0.2
65.03932	0.3
71.16323	0.7
81.03419	0.5
85.02889	0.9
91.05470	3.6
93.07039	0.9
94.07327	0.4
99.64417	0.2
105.03407	0.8
107.08575	0.7
108.08913	0.4
119.04925	8.9
132.04393	0.9
135.11681	0.8
136.11967	0.4
147.04387	40.7
148.04730	0.4
150.05441	1.4
160.03911	0.5
178.04967	89.3
179.05302	1.4
206.04457	100.0
207.04842	1.6
291.08597	0.7
309.09518	0.4
368.09723	21.0
369.09879	0.4
395.33868	0.2
463.15213	0.2
514.13373	4.2
514.25739	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	514.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
53.74702	1.7
55.05498	4.3
56.96735	1.8
57.03426	3.1
61.53388	2.1
67.05479	2.5
69.03431	15.1
70.00499	5.2
70.00916	6.1
70.06544	1.9
71.04998	3.1
75.04468	5.1
79.05486	20.0
81.03413	13.1
81.07062	3.8
85.02895	7.9
86.09679	1.9
87.04454	2.7
91.05482	13.5
91.58958	2.3
93.07034	83.0
95.04942	6.7
95.08585	5.5
97.02868	11.8
99.04436	4.5
105.04449	2.2
105.07001	12.2
107.08589	20.9
109.02892	9.3
117.37654	1.8
119.08572	11.3
121.06482	2.6
121.10135	100.0
123.08053	4.2
125.05933	2.3
127.03873	5.2
131.08522	9.8
132.05563	1.8
133.10107	2.3
139.11191	2.3
145.04918	4.2
147.04391	5.1
147.08049	2.9
149.09602	42.5
150.61505	1.8
151.03900	2.1
163.07547	2.1
167.10675	20.4
187.11212	2.7
206.08168	2.3
208.86572	2.1
248.35947	1.9
293.13806	12.9
299.12976	2.9
311.14969	16.5
323.18314	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01863	0.5
55.05495	2.2
57.03426	1.3
57.07056	1.4
59.04987	1.4
61.02904	1.9
67.05498	5.2
69.03423	4.0
69.07053	6.5
69.81999	0.5
70.26501	2.1
71.04977	1.1
71.35139	0.4
73.02894	0.8
79.05475	5.1
81.03408	1.6
81.07046	100.0
82.07391	1.3
83.08611	0.8
85.02895	16.9
85.06498	0.7
91.03960	0.8
91.05479	0.7
93.07043	1.4
95.04953	0.9
95.08594	29.0
97.02878	5.3
97.06487	0.6
99.04419	0.9
99.08076	3.0
105.07013	1.2
105.52032	0.5
107.04945	0.5
107.08559	0.8
109.02893	1.1
109.10151	1.2
111.11703	2.1
119.08560	0.9
121.06540	0.6
121.10090	0.7
123.08049	0.8
123.11603	0.5
127.03899	4.4
133.04970	1.0
133.10063	0.6
137.13237	38.8
138.13629	0.6
145.04929	8.8
147.11658	0.9
149.13284	1.3
155.13013	0.7
155.14288	15.3
159.60695	0.4
161.13150	0.6
163.05988	4.8
166.54704	0.5
167.14247	0.6
177.12772	0.8
221.27608	0.6
239.16327	0.6
245.15323	0.6
263.16409	1.5
281.17532	1.4
299.18570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.6
55.01863	3.2
55.05491	4.5
57.03426	5.2
58.93481	2.0
62.61320	2.0
65.38775	2.2
67.05485	8.4
67.43118	2.0
69.03402	6.0
69.07027	3.4
69.37429	21.0
70.06567	4.1
71.04967	4.3
72.08141	2.3
79.05472	10.6
81.03406	100.0
81.07030	12.6
83.04976	5.9
83.08608	23.0
85.02869	5.3
85.06600	2.1
86.09689	2.2
91.05463	13.1
93.07015	7.6
95.04953	28.6
95.08572	3.1
97.02857	5.2
105.07040	12.0
107.04921	6.6
107.08553	6.2
109.02856	2.4
109.06500	3.6
109.10134	2.2
111.04434	2.2
111.08042	10.3
117.06993	2.0
119.08539	11.4
121.10122	7.6
123.04398	2.1
123.08040	2.0
129.07021	10.0
131.08513	9.9
133.06448	2.5
133.10120	9.1
136.07462	2.2
137.05991	3.2
137.09590	4.7
142.07721	2.9
145.10139	3.7
147.04385	4.1
147.07961	3.6
147.11638	8.0
149.09576	5.2
157.10088	10.9
165.12781	2.9
166.05066	5.5
175.11137	15.7
193.12221	88.1
207.84596	2.0
211.13258	7.1
216.40115	1.9
235.13341	3.9
239.38379	1.8
267.11469	2.2
267.15869	47.0
285.16910	92.2
302.02869	2.0
309.16928	5.7
313.11685	8.8
322.66174	2.0
341.11078	2.4
346.41397	1.9
373.13898	24.6
393.18338	2.7
418.25311	2.0
511.31943	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68834	2.7
61.02912	4.1
65.25353	2.6
69.03416	10.7
69.07047	7.6
69.66916	2.7
70.06583	2.8
71.04996	7.2
71.08614	55.3
81.03388	6.4
81.07048	4.1
85.02885	41.1
91.05475	4.2
93.07013	4.6
97.02872	8.6
99.08076	100.0
105.07031	3.8
109.02848	7.9
126.91051	2.6
127.03887	11.1
129.12714	9.7
145.04944	11.0
147.04376	9.2
156.84183	3.1
163.05995	3.9
173.15356	60.7
176.70230	2.7
177.05362	6.3
250.07893	2.7
404.13483	3.2
515.15283	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	514.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.4
57.03417	3.5
60.30790	1.7
61.02909	3.3
62.19545	1.7
69.03434	9.6
69.07062	7.9
70.06573	2.9
70.24163	8.0
71.04977	2.6
71.08622	55.1
72.08161	2.0
79.05474	1.7
81.03404	3.9
81.07040	3.7
85.02895	32.4
86.09710	4.5
87.04478	2.0
91.03993	1.8
91.05482	2.3
93.07040	4.1
95.04947	2.0
95.08562	2.4
97.02860	9.8
99.04469	2.0
99.08083	100.0
105.06995	2.8
109.02859	6.3
109.10146	2.3
119.04913	1.8
121.10122	3.1
127.03941	8.2
129.12735	10.2
131.08534	1.8
133.10158	2.0
145.02858	3.1
145.04910	12.2
147.04396	4.1
155.14317	2.6
163.03920	2.7
163.06023	5.5
173.15356	63.6
177.05444	5.6
354.45831	1.8
514.94690	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56543	0.5
52.41510	0.4
55.05487	0.8
57.03408	0.5
58.81591	0.4
64.30929	0.4
65.03918	1.4
67.05482	1.3
68.85132	0.6
69.03409	1.4
69.07040	1.2
69.69709	0.9
69.70121	2.5
70.06574	0.6
71.04974	0.7
79.05480	1.3
81.03399	1.5
81.07040	2.6
83.04954	1.1
83.70314	0.5
85.02882	1.1
85.06536	0.8
89.52552	0.5
91.04922	1.0
91.05472	13.7
93.07025	2.0
95.04964	1.0
95.08585	1.6
97.02888	2.2
97.06517	1.0
105.07031	3.5
107.04955	0.6
107.08578	1.9
109.02849	1.3
109.06490	1.0
109.10128	0.9
117.07018	0.7
119.04929	28.4
119.08541	3.1
121.02882	0.5
121.06475	0.6
121.10131	1.3
123.08040	1.5
123.11698	0.7
127.03858	1.3
129.06992	0.5
131.08565	1.4
133.06459	0.7
133.10123	2.1
135.07993	0.9
135.11726	0.5
137.05977	0.6
137.09631	1.3
141.06941	0.5
143.08499	0.8
145.10107	2.2
147.04390	100.0
147.08063	1.5
147.11664	2.4
148.04712	0.7
149.09607	5.6
156.09277	1.2
157.10117	0.6
159.08063	1.4
161.09486	0.8
161.13248	1.6
163.11147	2.0
165.05470	1.1
171.11664	1.5
173.13365	0.8
174.10391	4.0
177.05435	0.9
185.13338	0.6
187.11259	0.5
187.14958	0.6
189.12732	7.9
191.14293	2.4
207.13774	7.4
250.47737	0.4
265.08514	0.5
273.07532	0.6
291.08716	0.8
309.09656	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.4
55.05494	0.8
65.03932	1.4
67.05492	0.9
69.03405	1.7
71.70905	0.6
72.16772	0.5
79.05492	1.2
81.03407	1.1
81.07039	1.2
83.04976	0.9
85.02881	1.5
89.03887	0.5
91.05468	12.3
93.07029	2.4
95.04951	0.7
95.08594	1.3
97.02870	1.4
98.98431	0.8
99.04398	0.8
105.07014	3.1
107.08585	2.1
109.02834	0.9
109.06506	1.1
109.10138	0.9
111.08047	0.5
117.03365	0.4
117.06993	0.7
119.04930	26.8
119.08560	3.1
121.06491	0.7
121.10128	2.3
123.08056	1.8
127.03893	1.0
131.08556	1.1
133.06497	0.5
133.10121	2.5
135.04417	0.6
135.08018	1.3
135.11719	0.6
136.23436	0.4
137.09593	1.7
145.02768	1.1
145.10123	1.1
147.04390	100.0
147.11687	1.8
148.04738	1.4
149.09599	4.1
151.11108	0.5
156.09326	1.0
159.08034	1.7
159.11632	0.6
161.09573	0.6
161.13260	1.7
163.11198	1.3
165.05470	1.6
171.11688	1.7
173.09659	1.1
173.13258	1.0
174.10361	4.2
177.05428	1.6
187.11203	0.6
189.12749	9.1
191.14319	2.3
201.05475	0.5
203.14178	0.5
207.13782	7.1
215.14355	0.6
291.08566	1.4
307.16760	0.8
309.09692	0.9
325.23727	0.6
335.16541	0.8
515.12354	0.5
515.24121	1.3
515.29950	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.4
55.01860	4.3
55.05513	22.2
57.03423	9.3
67.05495	85.1
69.03412	13.4
69.07050	28.4
71.04981	6.1
71.71705	6.8
73.02855	3.7
77.11231	3.4
79.05484	65.1
81.03400	10.1
81.07047	100.0
81.82990	3.8
83.04976	5.5
83.08595	14.3
85.02888	12.0
87.84856	4.5
91.03951	4.6
91.05466	48.6
93.07030	67.1
95.04956	11.4
95.08593	62.8
97.02899	6.2
97.06521	8.7
97.10149	5.1
99.08109	5.9
105.07011	46.4
107.04932	7.9
107.08591	41.9
109.06508	6.0
109.10150	37.8
111.08067	4.8
113.09608	4.8
117.07028	18.0
117.40089	3.4
119.08562	35.2
121.06483	4.7
121.10123	40.0
123.08085	4.5
123.11661	12.3
123.48914	3.7
125.09630	5.1
127.03963	4.4
128.06175	4.3
128.98164	4.1
129.06999	11.4
131.08548	37.4
133.06432	5.1
133.10114	32.9
135.08034	6.2
135.11681	24.9
137.09613	6.5
141.07005	6.1
143.08562	8.9
145.10104	31.1
147.07996	5.6
147.11641	10.9
149.13239	22.4
151.14769	3.8
155.08536	7.5
157.10069	7.2
159.11717	28.2
161.13269	10.8
163.11142	8.4
163.14825	9.3
165.12762	5.9
171.11682	10.0
173.13290	19.1
175.11221	3.9
175.14828	8.2
177.16345	5.3
185.13188	8.2
187.14850	13.2
199.14684	4.1
201.16466	4.4
243.21046	17.1
244.07306	4.0
261.22131	62.1
297.21933	4.0
303.23071	8.4
335.25699	7.7
345.24496	7.2
353.26877	16.2
369.24329	6.7
419.27740	8.2
497.30930	8.8
515.36212	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	515.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69033	3.1
51.12558	3.9
52.89347	3.2
53.03929	7.1
55.01851	3.4
55.05510	27.9
57.03415	6.8
61.02895	4.0
65.03918	5.0
67.05142	5.1
67.05498	89.5
69.03412	5.9
69.07059	23.0
69.55927	3.6
69.56256	31.4
71.05009	4.0
79.05485	71.2
81.03403	11.1
81.07044	100.0
83.04939	4.8
83.08601	12.5
85.02861	8.3
85.06506	4.3
91.05464	47.8
93.07025	75.8
95.04934	15.2
95.08593	74.9
97.06521	7.7
97.10155	7.6
101.59551	3.1
105.07027	36.8
107.04954	3.1
107.07908	4.9
107.08575	46.0
109.06488	10.2
109.10133	35.4
111.08033	4.7
112.99985	4.9
117.07005	22.1
119.08566	30.9
121.06495	5.5
121.10126	34.5
123.11702	12.2
129.06976	12.0
131.08548	32.5
133.10110	19.0
135.11674	26.3
143.08507	6.6
145.10123	24.6
147.11705	19.3
149.13237	18.1
157.10132	8.5
159.11653	23.0
160.12074	5.5
161.13188	11.3
163.14798	9.9
169.10027	5.2
171.11693	8.3
173.13214	17.5
181.27518	3.2
185.13249	6.3
187.14679	5.2
201.16443	5.1
243.21001	19.4
259.64322	3.8
261.22104	61.3
281.98886	3.8
301.99994	3.1
335.25671	9.2
353.26694	9.6
387.25250	4.3
423.32718	4.5
515.37286	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.4
55.01873	3.8
55.05507	24.3
57.03446	14.7
57.07075	4.3
57.41082	2.6
61.02914	6.1
65.03936	6.0
67.05500	79.8
68.38602	3.1
69.03430	14.3
69.07056	21.0
70.28979	14.5
71.04981	8.6
71.08630	3.5
73.02908	5.5
79.05483	56.2
81.03408	11.6
81.07047	100.0
83.04980	6.3
83.08610	12.4
85.02887	9.4
91.03969	5.5
91.05465	40.8
93.06444	2.8
93.07033	65.4
95.04960	11.1
95.08601	72.8
97.02877	8.1
97.06531	6.1
97.10160	8.9
99.08075	6.8
105.07037	33.5
107.04967	3.4
107.08578	47.7
109.06500	10.6
109.10139	38.5
111.08065	4.3
113.00016	3.2
117.07005	17.4
119.08569	29.3
121.06458	4.2
121.10121	34.2
123.08064	6.6
123.11732	19.1
129.05414	3.7
129.07002	8.3
131.08548	28.7
133.10110	23.6
135.08049	5.8
135.11658	27.2
137.13225	5.9
139.11140	4.2
143.08575	7.3
145.10103	22.1
147.11671	15.8
149.13240	19.3
151.11206	3.3
155.08583	3.5
157.10095	3.9
159.11739	18.4
161.09651	5.4
161.13304	15.3
163.14751	14.7
169.10048	4.1
171.11696	8.1
173.13245	19.6
177.12708	5.2
179.14301	5.0
185.13193	4.0
187.14839	8.9
189.12854	3.4
193.12230	3.2
199.14940	3.2
223.14742	3.0
228.64609	2.8
243.21054	19.8
261.22101	55.4
279.23221	6.2
301.21454	3.7
303.23251	10.0
315.23148	3.8
318.03296	3.1
327.23166	3.8
335.25827	19.4
341.24750	4.2
345.24146	9.6
353.26724	17.0
369.24338	5.0
377.26855	3.5
387.25269	4.4
405.26392	3.0
419.27936	6.3
443.27704	3.2
461.28720	5.9
497.30893	8.9
515.36780	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	515.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66268	3.3
53.03935	6.5
55.05492	20.4
55.57568	3.2
57.03431	7.9
57.07056	3.2
61.02910	7.4
63.87120	3.1
67.05491	88.5
69.03401	12.1
69.07053	21.9
71.04971	3.6
76.64548	3.6
79.05482	56.3
80.16837	3.0
81.03397	9.2
81.07041	100.0
83.04940	5.0
83.08591	11.9
85.02894	10.6
85.06519	4.9
91.03942	6.8
91.05468	37.0
93.07027	70.6
95.04951	10.0
95.08588	81.9
97.02880	8.5
97.06510	7.9
97.10129	8.4
99.08034	3.8
105.07017	25.4
107.08586	42.1
109.06479	10.3
109.10123	39.0
111.08024	4.9
115.94483	3.8
117.07010	15.4
119.08569	26.6
121.06525	3.8
121.10123	40.4
121.20971	3.3
123.08055	5.9
123.11671	17.8
125.09608	4.4
129.07019	6.7
131.08540	32.5
133.10112	29.1
134.85553	3.7
135.11670	32.0
137.09576	4.3
137.13235	9.3
143.08514	6.3
145.10126	23.3
147.11646	19.5
149.13213	18.3
155.08565	3.7
157.10081	3.5
159.11656	22.8
161.01347	3.4
161.13225	16.9
163.14772	9.1
171.11655	6.4
173.13225	19.1
175.14732	7.6
177.12679	4.1
177.16380	6.4
187.14809	9.0
229.70551	4.6
235.16861	3.7
243.21022	21.6
247.25075	3.5
261.22101	60.8
279.23206	4.0
303.23254	4.7
335.25763	20.5
353.26862	10.2
369.23993	7.0
419.27988	7.8
461.29172	5.5
469.32898	4.5
497.31107	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	515.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51081	1.1
53.03920	3.9
53.32027	1.1
53.67705	1.0
55.01870	1.7
55.05501	18.0
57.03432	7.5
57.07057	2.3
58.47174	1.1
65.03918	2.2
67.05492	54.6
68.68201	1.1
69.03407	1.3
69.07056	15.5
71.01334	2.5
71.04966	4.6
79.05479	53.1
81.03387	4.2
81.07047	38.7
83.04962	6.8
83.08592	5.2
85.06522	1.9
91.05463	31.5
93.07029	58.8
95.04958	6.9
95.07997	2.2
95.08587	29.2
97.06506	8.1
97.10158	7.8
98.20575	2.5
99.08068	2.9
105.07005	17.3
107.08571	31.2
109.06509	3.2
109.10144	12.6
111.08045	1.7
116.06380	1.1
117.06993	10.7
118.89357	1.2
119.08564	16.7
121.10126	18.7
123.11699	2.1
125.09584	1.8
129.06963	3.2
130.07788	1.5
131.08540	13.6
133.10089	12.7
135.11673	41.5
137.09610	1.9
141.06961	1.8
143.08545	5.2
145.10114	17.7
147.11681	5.8
149.13243	4.0
153.12695	1.9
155.08667	1.4
157.10075	6.3
159.11678	8.1
161.13245	3.6
163.11191	3.4
169.10117	1.9
169.71999	1.2
171.11647	4.7
173.13231	6.1
181.12227	5.2
183.11658	1.8
185.13234	3.0
187.14809	3.9
191.14339	1.3
195.11539	1.3
199.14870	2.0
211.14778	2.1
261.22144	5.0
291.90399	1.3
317.24722	1.6
405.31482	2.1
423.32529	5.9
441.33475	1.9
484.42407	1.3
497.36237	4.4
515.37238	100.0
516.37946	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	516.197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02836	1.6
53.03913	2.2
55.78546	1.8
56.05016	2.1
57.03423	2.1
59.05007	1.5
61.02905	2.5
63.69844	1.7
65.03920	1.6
67.05476	5.2
69.03414	12.2
70.00383	9.3
70.06571	7.2
72.08139	1.8
74.06066	1.8
76.19404	1.6
79.05449	2.2
80.19824	1.6
81.03401	7.7
84.04470	2.7
84.08126	2.1
85.02882	14.4
86.06063	1.9
86.09677	2.1
87.04443	3.6
93.05757	2.5
94.06541	7.8
97.02912	7.6
98.21423	1.9
106.06515	2.3
108.08098	97.1
109.02858	3.2
118.06512	5.6
122.06007	18.5
123.06775	5.6
123.90401	1.8
124.07573	19.6
127.03880	3.8
130.06508	80.8
132.08075	7.5
134.06003	16.3
135.09163	3.5
135.54025	1.6
136.07552	40.8
138.05475	2.5
140.07082	3.5
142.06471	1.7
144.08083	5.8
145.04895	2.6
146.06000	15.3
148.07489	2.2
149.07074	4.4
150.05478	100.0
152.07037	88.8
154.08615	5.7
157.07590	9.6
158.06010	1.9
158.08360	6.3
159.09154	20.6
161.07071	19.4
162.05463	1.9
162.07838	5.9
163.08647	72.3
164.07042	4.2
166.07307	2.8
168.06456	1.8
169.07591	6.1
175.08685	4.1
179.08185	3.3
180.07980	4.1
181.09647	7.7
188.07092	5.7
189.06491	1.7
206.08357	6.6
207.07617	24.5
215.08038	2.0
219.07561	2.1
220.09904	2.2
221.10678	6.1
225.08736	8.9
232.09798	3.9
234.09059	2.0
237.10236	2.0
245.10571	1.9
247.12350	3.9
248.09492	5.9
249.10193	51.0
250.10747	3.0
251.11691	4.6
257.10550	1.7
260.09421	2.6
261.10141	7.7
262.11029	3.2
263.11758	37.4
264.08707	1.8
264.12112	1.7
265.09625	3.7
265.13229	3.7
266.10620	2.5
267.11224	6.2
273.10358	2.5
274.10843	2.5
275.11740	75.6
276.12149	3.0
279.11298	7.4
280.12051	3.8
281.12848	33.4
292.14398	52.1
292.17670	2.7
293.12650	15.5
310.15427	44.7
314.12320	17.9
316.13992	2.3
329.13281	1.8
329.43994	1.9
336.13510	2.3
343.15024	8.2
351.62006	1.8
354.14346	10.9
367.43384	1.6
387.13913	41.1
399.13971	3.2
429.16592	9.2
441.16751	3.7
442.17255	2.4
443.18060	78.7
455.18094	23.0
472.20728	75.2
473.21075	2.9
516.19653	87.5
517.20013	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	516.301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37815	1.1
52.66251	1.0
55.01857	1.4
55.05502	26.9
57.03418	2.0
57.07068	21.2
61.02905	2.4
69.03419	7.1
69.06688	1.8
69.07058	27.4
71.04958	1.5
71.08614	5.4
71.31985	1.2
71.32349	2.3
73.02910	1.3
81.03397	2.3
81.07053	6.8
83.08607	100.0
85.02895	25.5
86.09686	2.2
97.02895	7.6
97.10152	19.6
99.04436	1.2
101.09679	1.5
109.02847	2.7
110.51243	1.1
111.11706	1.2
113.13267	1.3
119.08632	1.3
127.03886	5.8
139.14778	2.8
145.04933	8.3
157.15855	45.4
163.06024	3.5
175.16913	55.7
177.34270	1.0
178.04926	2.4
295.39172	1.0
386.49136	1.1
421.28061	1.2
425.18436	1.1
498.23257	1.1
516.23468	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	7.5
57.07063	3.1
62.06081	100.0
67.05499	19.6
69.07065	13.7
70.02953	3.7
71.04989	2.0
71.71348	3.5
72.84666	1.7
77.19224	2.1
79.05481	14.2
79.19942	1.8
81.03396	2.6
81.07044	28.2
83.08616	6.3
85.06543	2.2
85.81734	1.8
88.04005	2.8
91.05478	14.7
93.07025	26.1
95.04959	5.2
95.08600	42.8
97.06532	2.4
97.10165	3.3
105.07002	26.7
107.08581	38.1
109.10127	25.8
111.08109	2.3
111.11742	2.1
113.00033	5.2
113.99307	1.6
117.06971	5.2
119.08564	41.2
120.08882	2.9
121.06480	2.3
121.10120	33.1
123.08023	1.7
123.11684	16.9
125.09605	1.8
131.08528	10.2
133.10104	32.9
135.08069	5.2
135.11671	23.0
137.13272	4.6
139.11211	1.8
143.08554	4.5
145.10103	16.9
147.11652	20.8
149.13297	7.4
157.10121	6.4
159.11694	23.9
161.13246	19.0
163.11134	4.3
163.14815	9.6
169.10309	1.9
171.11671	6.2
173.11818	3.0
173.13222	17.2
175.11269	3.3
175.14825	14.3
177.16379	9.3
179.14359	5.8
185.13239	6.0
186.14120	2.2
187.11169	9.6
187.14807	16.6
189.16382	21.2
191.14285	3.6
191.17900	13.4
197.13278	3.4
199.14836	4.8
201.12741	3.2
201.16364	17.0
203.14447	2.0
203.17952	17.6
205.15901	4.9
207.17549	5.0
213.16470	5.6
215.18073	5.4
215.35727	2.2
219.17555	2.4
224.16422	2.5
225.16269	2.0
227.18230	2.3
229.16122	2.0
229.19519	11.7
236.16681	1.8
236.91553	1.8
241.19476	6.2
242.60397	1.9
247.20546	3.4
248.16490	4.3
250.17972	3.0
252.19580	2.0
255.21126	5.6
264.19537	2.4
267.21112	3.5
269.22748	2.9
271.24207	2.1
273.22284	2.3
278.21149	3.5
285.22180	3.6
290.21133	13.4
291.78064	1.9
347.33835	1.9
391.33426	9.3
402.41296	2.0
409.34647	18.6
419.33109	4.1
432.53693	1.8
437.34409	4.1
470.40118	3.5
480.38339	28.3
498.39377	88.0
499.30258	3.5
499.39645	4.3
516.40454	90.5
517.27948	3.9
517.40857	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	516.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30135	0.6
53.03933	0.9
54.39207	0.7
55.01850	0.6
55.05501	3.7
57.07058	1.2
60.04507	0.7
62.06076	5.2
65.03912	0.6
67.05492	6.5
69.03394	0.6
69.07049	4.9
70.02934	1.6
70.09535	3.0
78.48455	0.6
79.05472	4.9
81.06603	1.0
81.07044	12.6
81.07527	0.7
83.04948	0.7
83.08595	3.1
88.03984	1.6
91.05459	5.5
93.07032	11.1
95.04967	0.9
95.08591	19.6
97.06522	1.6
97.10126	1.6
105.07011	13.2
107.04948	0.7
107.08577	18.0
107.21786	0.6
109.06487	0.6
109.10136	10.3
111.08073	1.5
117.06989	2.0
119.08565	23.4
121.06475	0.9
121.10135	11.5
122.26544	0.6
123.08014	1.1
123.11676	5.1
125.09634	1.3
131.08545	6.2
133.06471	0.8
133.10107	16.3
135.08031	1.2
135.11658	10.1
137.13258	0.8
143.08522	2.0
145.10097	10.0
147.11658	12.0
149.13240	4.8
151.11162	0.8
157.10103	2.4
159.11656	8.8
161.09671	0.7
161.13229	6.4
163.14775	4.4
169.10051	0.6
171.11656	1.8
173.13216	5.5
175.14792	6.5
177.15096	0.5
177.16354	3.5
179.14246	1.1
183.11646	0.9
184.07317	1.1
185.09804	0.5
185.13263	2.1
187.11276	0.5
187.14804	10.7
189.16339	13.4
191.17891	5.7
197.13237	1.0
199.14752	3.2
201.16350	11.2
203.17909	13.5
205.15907	3.5
206.16243	0.6
207.17404	3.4
211.14722	1.2
213.16362	2.4
215.17921	3.9
217.19476	1.6
219.17381	0.6
221.18967	0.7
225.16342	1.1
227.17969	0.9
229.15919	1.1
229.19525	2.2
231.21039	0.6
241.19470	2.9
243.21017	0.6
250.17952	1.1
255.20984	1.3
262.17953	1.5
264.19818	0.8
269.22546	1.4
275.08453	0.6
276.19556	1.2
278.21133	4.1
290.21103	6.0
308.22122	1.6
318.24524	0.7
344.25995	0.9
391.33420	3.1
409.34576	7.6
427.35696	1.3
437.34186	0.7
480.38440	4.9
498.39334	17.3
499.39676	1.0
516.40430	100.0
517.40710	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	517.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.4
55.05502	7.9
57.03422	5.5
57.07064	1.9
67.05495	16.4
69.07058	10.0
70.80811	1.0
71.04948	1.3
71.08620	4.8
71.71007	1.8
79.05490	9.3
81.03393	1.1
81.06598	1.8
81.07044	21.7
83.04967	2.0
83.08602	5.0
85.06532	2.3
91.05476	7.7
93.07037	13.9
95.04953	2.8
95.08589	15.9
97.06513	4.4
97.10171	1.2
99.08072	3.9
105.07023	13.9
107.04934	1.0
107.08580	12.1
109.06508	10.8
109.10172	6.4
111.08051	2.7
111.57278	1.0
113.00002	100.0
117.06966	2.7
119.08565	13.3
121.06514	2.1
121.09331	1.3
121.10126	8.2
123.08055	26.1
123.11705	2.4
125.09650	1.6
131.08545	5.2
133.06493	1.4
133.10104	11.0
135.08029	14.6
135.11662	3.5
137.09616	3.6
137.28323	1.2
143.08572	1.8
145.10095	5.3
147.04422	1.0
147.11667	8.8
147.78212	1.1
149.09607	4.5
149.13222	3.8
155.86485	1.0
157.10138	2.1
159.11685	4.5
161.09616	2.9
161.13278	1.9
163.11066	1.2
165.12738	2.2
167.14255	2.3
167.59952	1.0
169.02676	2.1
169.10011	1.5
171.11671	2.7
173.13237	2.9
175.14819	9.3
177.12741	5.3
177.16473	1.4
179.14276	31.7
185.13229	1.8
187.03664	14.0
187.14812	1.7
191.14316	1.8
193.15854	1.8
194.58441	1.0
199.14835	1.2
205.15799	4.8
233.19083	1.1
263.20016	1.7
271.17148	1.0
271.20547	1.1
273.18173	0.9
275.19974	2.9
289.21640	8.7
293.21115	2.5
303.26779	5.1
319.22726	1.1
331.26288	55.2
349.27399	8.1
357.27856	1.5
361.27176	1.3
369.27716	1.6
375.28802	2.7
387.28867	8.5
405.29950	73.4
406.30170	2.1
423.30746	1.4
443.31952	1.2
499.28030	1.8
499.34595	1.5
517.28491	6.6
517.35913	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01863	0.8
55.05503	3.6
55.31540	0.6
55.45409	0.7
56.05020	3.4
57.03421	1.3
57.07066	1.8
58.06584	0.8
59.04991	1.2
59.28703	0.8
67.05499	3.5
69.03413	6.9
69.07069	1.2
69.43123	6.2
70.06577	2.9
71.04993	1.2
72.08141	3.8
74.06069	1.0
79.05479	3.2
81.03400	3.6
81.07047	8.8
83.04971	3.0
83.08624	2.1
83.81596	0.7
84.04488	100.0
84.08133	1.2
84.22218	0.7
85.02886	6.7
85.04836	1.0
85.06524	1.8
86.09686	3.2
87.04431	1.8
91.05450	2.9
91.73743	0.6
93.07021	4.4
95.04965	2.5
95.08591	2.2
97.02877	8.1
97.06497	1.0
98.06030	4.3
98.21471	1.5
99.04423	1.7
102.05525	12.5
103.03959	0.8
105.07015	5.4
107.04947	0.7
107.08572	7.9
108.08153	0.8
109.02867	3.6
109.06502	11.1
109.10132	9.8
111.08033	1.1
114.05529	1.2
116.07095	1.0
117.06997	0.8
119.08560	3.5
120.29330	0.9
121.10136	6.9
123.08047	3.1
123.11696	2.7
125.09589	1.8
126.05487	8.2
127.03906	5.2
130.04977	90.8
131.08562	2.3
133.10115	9.1
135.08040	2.0
142.05000	1.2
143.08382	0.7
145.04922	2.9
145.10127	1.9
146.95821	0.7
147.04366	1.8
147.11688	2.2
148.06021	20.7
149.09738	0.8
149.11205	0.7
149.13249	2.8
151.11174	3.3
153.09100	3.0
158.10895	1.4
163.14818	1.9
164.06987	1.0
165.12744	3.1
167.14287	2.8
172.06056	5.5
173.13260	8.5
175.14813	3.0
177.05447	1.2
185.11723	1.4
190.07080	1.1
191.14250	6.5
192.06403	0.9
209.15314	10.7
238.07155	2.2
246.09767	1.2
256.08160	3.9
262.14679	0.7
274.06311	0.9
274.09149	25.1
292.10211	46.5
299.06335	1.0
310.11218	8.8
499.45200	0.9
518.18573	1.0
518.25928	5.1
519.18024	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.1
56.05013	0.5
57.03405	0.1
58.06618	0.4
59.07378	0.2
60.08154	6.8
67.05486	0.7
69.07061	0.1
70.06574	0.1
71.07359	3.0
71.91711	0.1
79.05460	0.3
81.07040	0.5
86.09691	31.4
87.10040	0.1
93.07015	0.3
95.08587	0.4
98.98449	3.3
104.10721	3.0
104.87332	0.1
105.06979	0.1
107.08540	0.1
117.68973	0.1
119.08585	0.1
121.10097	0.1
123.11637	0.1
124.99982	23.0
130.56996	0.1
135.14925	0.1
143.01051	0.3
184.07314	100.0
185.07649	0.6
228.04155	0.1
229.75313	0.1
244.34293	0.1
252.63081	0.1
258.10925	0.2
335.25687	0.2
348.05847	0.1
380.19333	0.1
500.31293	0.8
516.03137	0.1
518.32318	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.0
56.05030	1.3
57.03409	0.7
58.06570	1.3
60.08155	17.9
65.03944	0.2
67.05499	2.3
67.11426	0.2
69.07047	0.7
70.06567	0.4
71.07361	6.8
79.05486	1.9
81.07053	1.9
83.08607	0.2
86.09695	50.5
87.10021	0.3
87.18955	0.2
91.05462	0.8
93.07022	2.4
95.04944	0.6
95.08592	1.6
98.98450	4.1
104.10728	97.7
105.07020	0.7
105.11057	0.6
107.08557	0.5
109.10120	0.6
119.08539	0.3
121.10131	0.7
124.99984	29.3
131.08543	0.5
133.10091	0.2
143.01031	0.2
145.10052	0.3
163.01547	0.7
169.36755	0.3
184.07317	100.0
201.89825	0.2
221.87390	0.2
222.80786	0.2
258.11063	1.2
335.25879	0.8
441.23798	0.3
500.24304	0.4
500.31293	7.2
505.33875	0.2
518.32343	21.4
519.32617	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	3.2
53.18859	2.0
55.01848	8.2
55.05468	2.7
56.96555	67.2
57.03409	5.9
61.02903	9.3
61.32999	2.2
62.70073	2.1
65.03910	4.8
67.05491	9.7
69.03419	33.0
69.76673	15.4
70.06561	2.5
71.01308	2.4
71.04959	5.1
71.95228	2.4
73.02899	10.5
74.97578	2.1
79.05492	23.2
80.05805	1.9
81.03411	32.8
81.06588	2.5
81.07037	19.6
82.03728	3.0
83.04975	6.7
84.04462	2.3
84.96018	32.2
85.02890	44.0
87.04439	6.4
91.03922	5.0
91.05412	25.6
93.07009	7.6
95.04956	24.3
95.08587	2.1
97.02881	35.2
97.06490	3.1
98.06034	2.6
98.20783	3.5
98.97565	96.8
99.04440	4.5
101.00880	5.0
101.02384	2.4
102.14749	2.0
102.97027	5.6
103.05433	4.0
105.00377	2.8
105.06993	4.6
107.04935	17.2
109.02866	6.9
109.06469	7.6
110.97551	28.1
111.04428	11.0
112.99096	2.0
113.00828	2.7
116.98606	71.3
119.01902	23.1
119.04941	11.2
120.98103	2.4
121.06500	15.1
123.04409	34.9
123.08056	2.8
124.04749	2.1
125.05901	3.0
126.05463	3.3
127.03880	15.9
127.04984	7.0
128.97739	3.5
128.98587	44.6
129.05449	12.2
130.05617	1.9
131.00117	6.6
131.01910	13.2
131.04860	8.7
133.03485	2.2
134.86642	1.8
134.99635	30.7
135.04390	7.6
135.29207	2.0
136.99144	3.2
137.02959	2.2
137.05927	8.5
140.00208	4.5
143.00121	8.8
143.01866	11.8
144.98102	3.0
145.01685	2.4
145.03436	19.6
145.04906	8.0
146.99622	49.2
147.01349	3.4
147.04364	9.1
149.01190	5.0
149.02969	2.9
149.05956	25.2
152.05626	9.3
153.00691	3.0
153.05620	2.0
155.00092	5.8
155.01854	14.2
156.98047	6.0
157.03444	4.3
158.99651	21.2
161.01201	15.7
161.02917	13.5
162.99146	4.5
163.02739	2.4
163.04445	3.3
165.00639	5.3
165.02188	3.8
165.04289	3.4
165.05487	6.8
165.99403	2.6
167.00081	3.9
167.05502	11.1
167.06972	7.3
169.03404	6.7
170.01259	2.8
170.05067	2.4
170.99631	11.9
171.01242	3.7
173.01218	7.1
173.02916	28.1
174.03075	2.5
174.97597	3.6
174.99126	60.7
175.04379	2.4
177.00734	25.4
177.02205	2.8
177.04057	2.3
179.00011	3.2
179.02237	2.9
181.01627	7.1
181.03348	4.1
183.03323	2.2
183.04977	6.0
183.06532	9.6
184.00362	4.8
185.01176	12.1
185.02914	7.5
187.02777	2.3
189.00655	12.9
189.02397	5.6
191.02203	3.8
191.03889	3.5
193.00189	87.4
193.01717	6.7
193.03334	4.7
194.99654	3.9
195.01640	2.4
195.05026	6.7
197.01151	8.3
197.02925	5.0
197.04681	2.9
198.00697	2.9
199.00998	2.6
199.02722	10.8
199.04385	3.9
200.02400	2.6
200.04463	2.7
201.00659	5.4
201.02335	5.7
203.02252	3.2
203.03781	4.1
203.05396	4.3
204.05176	3.4
205.01688	2.7
205.03519	3.9
207.01663	2.5
207.05032	3.1
209.01176	20.4
209.02945	4.0
211.01111	4.6
211.02748	13.7
211.04486	9.6
213.00725	9.7
215.02206	4.1
216.01761	2.2
217.00137	24.6
217.01938	15.6
217.03743	3.3
217.05470	3.4
219.01701	48.1
219.03464	5.1
219.05141	4.3
221.01239	18.2
221.03091	4.8
221.04907	15.8
223.02666	5.9
223.04547	11.6
225.00470	2.0
225.04292	3.3
227.02251	27.6
227.05083	11.1
228.05278	3.8
229.06673	3.4
231.03510	2.9
233.01173	13.1
235.01149	8.5
235.02966	4.1
235.04781	3.6
237.02782	87.3
237.06430	9.2
237.56665	3.3
239.02209	38.3
241.03743	5.5
241.05914	2.8
242.03284	3.3
245.01083	4.7
245.03261	5.6
245.05360	3.6
246.07164	15.5
246.57245	9.1
247.04559	4.6
248.07808	3.8
249.06328	3.8
251.02211	17.8
251.04634	3.5
252.05209	2.4
255.03961	4.8
257.03177	15.2
257.07657	4.2
260.04385	4.6
261.04401	2.4
263.02188	31.0
263.06277	4.4
264.52597	2.2
265.05643	7.1
267.07089	3.8
269.03256	5.1
271.06476	3.2
271.59219	2.6
273.02747	3.4
277.01981	4.9
277.57263	3.7
281.03214	44.7
283.02826	3.0
283.06543	8.0
286.04166	2.8
287.04330	4.4
293.03314	3.0
295.06595	4.6
299.04221	15.4
299.06390	9.3
305.10782	2.5
309.02972	3.2
329.08383	26.6
330.08456	9.7
331.08212	4.9
337.13168	3.3
337.60150	3.3
339.03809	2.5
344.97675	5.2
345.05643	4.6
355.08685	3.6
357.05051	6.9
371.09506	11.9
372.09479	5.1
373.09421	6.3
385.09119	2.4
387.11383	2.4
389.07343	5.0
399.07443	5.0
401.07190	10.2
403.10025	7.3
419.08493	40.0
442.10016	2.5
501.09161	26.9
504.98486	2.8
519.10089	100.0
520.10529	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	519.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	8.0
55.05490	2.1
58.41216	2.3
61.02920	3.3
65.03929	3.7
67.05477	3.0
69.03424	10.7
70.84536	4.7
70.84882	2.7
74.35427	1.9
78.89813	2.0
79.05480	3.4
81.03400	3.9
81.07040	7.4
85.02882	15.3
91.05479	7.8
93.07050	3.9
94.04169	4.8
95.08599	2.5
97.02868	6.4
103.05444	8.8
105.07018	7.8
107.04935	4.8
107.08567	4.7
109.02858	2.9
109.10130	4.1
111.04469	4.8
112.07852	2.1
115.05437	3.9
117.03341	2.4
119.08555	8.3
121.06445	2.0
121.10099	3.2
122.03625	6.1
125.05970	3.8
127.03911	3.7
128.06157	2.7
129.07008	4.7
131.04906	7.3
131.08551	5.9
133.06462	3.1
133.10120	5.8
137.05957	100.0
138.06339	2.0
143.04959	3.8
145.02870	3.5
145.06425	3.1
145.10133	5.5
146.03651	2.4
147.04416	8.8
153.05420	3.2
155.04915	2.3
159.11603	4.4
161.05981	13.8
161.13286	2.6
163.07532	14.4
165.05473	7.4
171.04427	2.3
173.05969	3.7
173.13307	5.0
175.07547	11.1
175.14717	2.4
177.05437	8.2
185.06084	3.6
185.13225	4.6
187.07574	4.1
187.14853	6.6
189.07018	2.3
190.07733	5.3
191.07042	12.8
191.08553	3.9
191.14330	4.2
199.07513	2.5
201.16328	2.5
203.06949	5.3
203.08632	2.6
205.06488	3.5
207.08035	4.3
215.07027	5.2
217.06583	3.4
217.08464	12.0
218.07224	10.1
219.08020	12.1
220.08798	3.5
221.06099	2.7
229.06421	5.3
231.07999	4.5
234.06662	4.7
235.07535	10.3
236.08337	4.9
245.05920	3.6
246.06755	9.2
247.07474	13.5
248.08405	3.0
249.09027	6.5
251.07028	4.1
257.05927	4.0
258.06616	2.2
259.07391	3.7
261.09009	15.2
262.06326	2.7
263.07092	7.3
263.10666	2.4
264.07764	6.7
265.08456	3.4
274.06223	8.0
275.06976	7.4
276.07898	3.1
277.08594	14.4
278.09277	3.7
279.06409	3.6
279.10086	6.3
289.08548	20.5
290.09207	3.8
291.06793	3.6
291.10123	11.8
292.07263	2.6
294.08780	7.1
297.11157	3.0
299.05984	2.5
306.08820	6.0
307.09653	41.5
309.11200	11.4
321.11160	47.5
323.12823	9.8
327.12201	41.6
339.12259	34.1
341.13907	3.2
357.13242	20.2
365.13327	2.7
437.30124	2.7
473.32657	2.4
501.31973	4.0
519.21741	4.0
519.32617	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	519.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.8
56.16272	0.4
57.07047	0.5
65.03947	0.9
67.05478	1.2
69.03408	1.7
69.07030	0.9
69.69983	1.2
69.70397	2.2
70.06592	0.7
71.04978	0.7
73.04748	0.5
77.03896	0.5
79.05466	1.6
81.03390	1.9
81.07040	2.0
83.04971	0.7
83.08608	0.6
85.02883	2.3
85.06513	0.5
89.03880	0.9
91.05464	1.9
91.35853	0.5
93.07034	3.2
94.06554	1.2
95.04956	0.9
95.08584	2.1
96.08111	2.2
97.02876	1.4
97.06522	1.0
98.20774	1.0
99.04420	0.6
102.89244	0.5
103.05467	0.8
105.07025	3.1
107.08580	1.8
108.08089	2.6
109.02868	0.6
109.06524	1.1
109.10145	1.3
110.09665	4.2
110.13527	0.4
111.04366	0.5
116.04964	4.4
117.07008	0.5
119.08545	2.9
120.08091	2.6
121.06519	0.7
121.10114	1.5
122.03663	0.7
122.06010	3.2
123.08051	1.8
123.85294	0.5
127.03860	1.3
131.04953	0.7
131.08554	2.3
133.06461	0.5
133.10109	2.7
135.08072	0.5
135.11684	0.9
136.07553	5.7
137.05939	6.5
138.09122	4.8
142.07829	0.6
143.08543	1.6
144.04417	9.9
145.10104	3.1
146.05972	1.8
147.04329	0.7
147.11674	1.7
148.03917	1.7
148.07568	1.4
149.05957	0.6
149.09578	0.9
151.03932	3.1
151.07486	0.7
157.10095	1.3
159.08020	0.8
159.11656	2.7
161.05980	1.6
161.13190	1.1
162.05464	6.0
162.06693	0.8
163.03876	0.7
166.04958	0.7
166.08624	11.6
169.10075	1.0
171.11641	2.2
172.03922	51.0
173.04156	0.9
173.09689	0.6
173.13268	2.3
174.05524	1.4
175.07428	0.6
175.14836	1.0
183.11720	0.8
185.13261	0.9
187.07571	1.4
187.14839	2.0
189.09100	0.6
190.04951	11.2
191.14265	1.2
193.12181	0.7
197.13327	1.3
199.07518	0.6
203.14272	0.6
204.06541	100.0
205.06801	1.0
215.14304	1.6
217.08481	0.6
221.15265	1.1
222.07579	0.8
225.14815	0.7
251.11707	0.7
279.11316	0.6
279.15854	1.1
297.11548	0.7
299.06113	1.0
315.12494	0.9
316.08063	0.5
321.11200	1.1
325.11804	2.1
329.14886	1.5
334.09146	2.4
335.12674	0.8
339.13037	2.1
343.12711	1.4
357.10004	0.8
357.14417	10.8
437.29895	0.7
453.30679	0.6
459.17612	0.8
465.29907	1.1
483.31064	1.1
487.16858	1.9
501.18851	2.5
501.31964	1.0
519.18677	2.7
519.32947	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
53.51352	0.4
55.05476	0.5
57.03421	0.9
58.99562	1.2
59.03506	0.4
65.03926	0.9
66.17691	0.4
66.19719	0.4
67.05490	1.4
67.95260	0.4
69.03417	3.7
70.06221	0.9
70.06631	2.5
71.04977	0.6
76.02216	3.7
79.05476	1.7
81.03393	2.6
81.07037	1.4
83.04967	0.5
84.04480	1.0
85.02882	3.4
87.04454	0.5
89.03895	1.3
91.05404	1.0
93.07042	2.4
94.06540	1.6
95.04948	1.4
95.07355	1.0
95.08592	0.6
96.08110	2.0
97.02897	2.2
97.06498	0.5
103.05476	0.5
105.07043	0.7
107.08562	0.9
108.08099	2.9
109.02866	1.8
109.06506	0.9
109.10110	0.7
110.09668	4.4
116.01656	0.5
116.04955	4.6
119.08588	1.3
120.08082	3.4
121.06446	0.5
121.10120	1.0
122.03566	0.4
122.06024	4.9
124.07550	0.7
125.02429	0.4
127.03896	1.7
131.08542	1.0
133.10106	0.6
134.05945	0.6
136.07553	8.2
137.05952	7.6
138.09122	5.0
140.84108	0.4
144.04427	10.4
145.05032	0.6
146.05989	4.0
147.02213	0.9
147.04398	0.6
148.03909	4.9
148.07504	2.2
149.05930	0.8
149.09505	0.6
150.09125	0.9
151.03885	1.3
152.06944	0.8
154.08556	0.7
159.08061	0.5
159.11703	0.6
161.05943	0.6
162.02203	0.8
162.05472	5.6
163.03880	0.6
166.04977	2.0
166.08611	12.5
167.05551	0.8
172.03915	55.2
173.04294	0.9
174.05487	2.9
176.06934	0.6
177.05453	0.7
179.04834	1.9
190.04959	19.9
192.06494	0.7
204.06534	100.0
205.06921	1.0
207.13763	1.7
212.13510	0.6
217.08643	0.6
225.14752	0.6
233.05835	0.8
251.11668	1.0
255.11185	1.3
279.11292	1.1
283.10785	1.8
297.12216	1.0
298.12973	0.6
299.06097	1.3
301.11658	0.9
308.09021	0.8
309.09247	0.7
316.08063	0.9
325.11780	4.3
327.12454	0.9
329.14816	0.9
334.09134	3.9
339.13403	2.6
343.12970	2.8
348.11011	0.6
357.14374	11.4
377.61246	0.5
459.17465	0.9
469.15771	1.5
478.76089	0.5
487.17194	4.6
501.18884	0.9
519.18439	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	519.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02621	0.4
57.03427	0.7
61.02915	0.6
69.03390	1.1
70.06598	0.7
71.70662	0.4
79.05487	0.6
81.03408	0.9
81.07046	0.7
85.02885	1.8
91.05800	0.5
97.02894	0.6
105.06998	1.1
111.08096	0.5
119.08554	0.5
122.03619	1.0
131.04892	0.7
135.11600	0.6
137.02353	1.2
137.05957	13.2
143.05002	0.6
147.04410	0.6
149.02319	0.6
151.03882	7.4
151.05019	0.8
165.05536	0.9
166.08629	0.6
167.05540	0.8
172.23354	0.4
203.07050	0.5
205.08601	0.7
208.06097	0.5
257.04553	0.6
258.05197	0.6
261.09119	0.5
271.05844	0.6
286.04745	2.0
287.05560	1.5
299.06122	1.4
302.06699	0.9
306.64191	0.4
321.11240	1.6
326.06549	2.4
327.12228	1.1
339.12366	1.2
339.16528	0.5
344.07581	4.1
357.13425	1.9
357.18170	2.2
519.24133	100.0
520.11194	0.8
520.24207	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.6
53.09089	2.5
55.01855	9.6
55.05493	6.9
57.03429	2.6
62.03424	2.2
62.27357	2.5
67.05480	9.2
69.03419	12.7
69.07040	7.3
71.04961	2.8
71.05324	4.4
71.05645	3.8
73.26541	2.5
77.03913	2.8
79.05497	13.3
81.03387	6.7
81.07043	23.7
83.04970	6.4
83.08598	2.5
85.02890	21.5
85.06514	4.8
88.99535	2.4
91.05447	18.4
93.07026	23.1
94.04186	4.7
95.04940	7.0
95.08602	21.4
97.02875	7.6
97.06504	5.7
99.04444	3.2
99.08030	4.6
103.05422	6.2
105.07007	32.4
107.04936	7.1
107.08590	23.9
108.02127	2.5
109.02905	3.0
109.06557	6.2
109.10163	12.8
111.04421	6.5
111.08047	2.5
113.79958	2.6
115.05431	6.0
117.03421	5.5
117.07012	13.6
117.79994	2.3
119.04922	5.1
119.08566	56.9
120.08870	2.5
121.06461	5.4
121.10123	20.7
122.03639	7.4
123.08036	4.3
123.11655	5.3
125.06002	3.1
125.07191	2.4
125.09632	3.0
127.03876	5.4
128.06177	2.7
129.06976	6.7
131.04883	10.2
131.08534	23.3
133.06456	8.3
133.10100	24.4
135.04379	3.7
135.08000	8.0
135.11685	7.3
137.05956	100.0
137.07008	6.3
137.09561	3.1
138.06264	4.5
142.07747	3.2
143.08548	12.3
145.02769	3.8
145.06448	4.9
145.10107	30.0
146.03638	2.8
147.04411	9.6
147.07957	3.9
147.11652	12.9
149.05952	4.8
149.09540	4.8
149.13235	7.6
153.05441	3.4
157.06441	6.2
157.10094	15.1
158.10857	3.0
159.08076	3.6
159.11641	21.7
160.05061	3.3
161.05919	11.6
161.09634	13.8
161.13252	10.9
163.07474	13.0
163.11145	4.2
163.14789	8.0
165.05482	12.9
165.06764	3.2
167.05589	3.6
167.07028	3.1
169.10110	4.6
171.11678	11.3
173.05974	4.6
173.09586	5.8
173.13258	25.0
175.07526	8.5
175.11131	5.3
175.14815	22.8
177.05418	9.1
183.11674	5.3
185.13309	14.8
187.07564	6.5
187.14789	27.1
189.06900	3.1
189.12714	10.8
189.16348	8.5
191.06978	9.8
191.08542	6.1
191.14326	14.1
191.17822	3.4
197.13235	4.5
199.07445	3.9
199.14816	10.6
201.16341	16.8
203.06973	6.1
203.14288	15.8
203.18028	3.7
205.15793	7.0
208.08636	3.6
209.13248	3.8
211.14737	3.5
214.17975	4.8
215.07037	3.8
215.14241	7.9
217.06529	4.9
217.08449	12.4
217.16005	3.8
218.07286	6.9
219.08000	11.7
219.13696	4.8
221.15303	6.1
231.07831	3.1
233.15340	5.8
234.06622	3.1
235.07526	8.2
236.08093	4.3
239.16142	6.0
246.06673	7.8
247.07498	10.9
247.16899	3.1
248.08208	3.3
249.09052	8.6
249.14803	5.0
251.10612	3.0
257.05811	4.8
259.07474	5.1
261.09006	14.8
263.06967	5.4
264.07745	6.0
265.08359	4.9
267.10107	3.3
271.05984	6.5
274.06204	7.4
275.06946	7.6
277.08588	14.5
278.08926	3.3
279.06995	2.7
279.10101	11.8
289.08484	23.5
290.09100	4.8
291.06644	4.1
291.10123	12.3
294.08719	7.4
295.09573	5.6
299.06195	3.5
306.08963	5.3
307.09644	34.3
308.09943	4.2
309.11041	14.7
315.04959	4.1
321.11194	38.4
323.12735	8.6
327.12186	35.3
331.08102	4.1
339.12228	30.7
340.12579	3.6
341.14084	3.2
357.13254	21.2
407.29459	2.8
419.29214	7.6
437.30710	13.6
455.31708	14.7
465.29901	4.3
473.32520	19.0
483.31149	3.8
501.31970	5.4
519.33191	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16590	0.8
53.02890	0.9
53.03935	1.1
55.05504	3.3
58.88725	0.8
67.05492	3.3
69.03408	1.8
69.07056	4.5
71.05016	1.0
79.05476	8.0
80.16082	0.9
81.03436	1.1
81.07043	13.4
83.04964	2.7
83.08630	1.6
85.02898	1.0
85.06547	2.8
91.05466	11.1
93.07037	14.0
95.04958	3.7
95.08593	13.6
97.06530	3.1
97.10131	1.3
98.20700	2.8
99.08084	8.3
103.05435	2.1
105.07018	40.7
106.42932	0.8
107.04945	2.5
107.08585	16.2
109.06507	2.5
109.10127	4.3
111.04436	5.4
111.08088	1.0
115.05467	2.3
117.06998	10.5
119.04939	1.0
119.08567	34.5
121.06496	7.5
121.10120	10.5
123.08061	3.4
123.11651	2.2
125.05953	4.7
126.96883	0.9
128.06212	2.0
129.06973	3.2
131.04939	7.8
131.08553	51.7
133.06490	2.1
133.10101	12.9
135.08073	3.8
135.11703	4.7
137.05968	13.1
137.09602	1.6
142.07750	1.5
143.08539	10.4
144.09334	1.6
145.06474	2.1
145.10112	29.6
145.11232	1.9
147.04436	1.4
147.08032	13.8
147.11656	10.7
149.05966	21.4
149.09598	3.4
149.13275	3.0
151.03859	0.8
155.08571	2.8
156.09396	1.6
157.10107	10.8
158.10878	2.2
159.08061	1.3
159.11682	20.4
161.06020	1.5
161.09612	3.8
161.13249	6.0
163.03947	1.3
163.07576	2.1
163.11159	2.6
163.14804	17.8
163.16182	1.1
167.05611	1.4
169.10088	1.8
170.10812	2.3
171.11679	4.0
173.13242	100.0
174.13644	1.7
175.07568	1.5
175.11201	3.1
175.14809	18.9
177.05412	1.7
177.12711	2.2
183.11732	2.2
185.13232	12.2
187.07481	1.1
187.14824	11.2
189.12642	1.0
191.14290	75.0
192.14619	0.9
197.13261	3.5
199.14806	3.1
201.12724	8.7
201.16446	2.5
203.14301	59.6
205.15749	1.8
211.14838	2.0
215.14330	1.8
217.15912	2.8
219.13785	31.5
219.17271	2.2
221.15335	60.2
222.15723	1.6
229.15796	1.5
235.16972	2.5
237.14819	4.8
239.16382	10.9
245.15396	0.9
265.14484	1.1
271.06113	1.5
361.25378	1.2
379.26187	1.7
401.27948	1.3
407.29401	1.3
419.29526	3.3
421.31030	1.3
437.30542	11.2
455.31512	14.2
457.33200	4.5
473.32574	61.1
474.33060	2.0
475.34351	2.2
483.30865	1.2
501.32059	2.9
513.35229	0.9
519.20581	1.4
519.33203	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	519.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	6.6
67.05479	11.6
69.03413	6.1
69.07053	4.2
69.63371	28.5
69.67326	3.0
79.05491	18.0
81.07042	23.1
83.04967	4.2
84.26520	3.3
85.02896	4.8
85.06528	4.0
91.05440	23.5
93.07030	30.6
95.08601	25.1
99.08099	17.7
104.06232	3.7
105.07005	60.3
107.08571	52.8
109.06458	6.3
109.10135	10.7
112.62956	3.7
117.06935	6.4
119.08556	100.0
121.06483	10.9
121.10144	21.7
123.08028	10.6
128.06155	4.8
131.08549	53.0
133.10095	48.2
135.08064	8.4
135.11678	22.8
136.20551	3.2
137.05971	16.4
137.09558	3.9
143.08530	16.9
145.10083	54.0
147.08000	4.4
147.11649	48.3
149.09558	5.0
149.13269	8.5
155.08487	4.1
156.09344	5.7
157.10118	25.4
158.10902	3.5
159.11632	30.1
161.09563	11.5
161.13208	20.5
163.11139	9.3
163.14774	7.8
169.10228	7.4
170.10892	4.1
171.11627	18.0
173.13237	45.7
175.14784	50.9
177.12717	5.1
183.11664	8.3
185.13208	23.3
187.14763	71.1
189.12698	15.0
189.16333	13.1
191.14282	26.2
194.21892	4.0
195.13782	5.9
197.13208	8.8
199.14729	20.8
201.12779	4.7
201.16336	62.2
203.14270	9.7
203.17953	3.9
205.12448	3.6
205.15845	6.0
209.13351	3.5
213.16277	12.4
215.14241	13.0
215.18088	3.9
215.46246	3.2
217.15686	6.4
219.13614	5.0
219.17392	15.0
221.15294	6.0
223.14511	3.9
227.17889	5.1
235.13217	13.5
299.06168	4.0
336.13730	3.8
373.28799	6.5
375.30450	3.7
383.26385	3.2
391.25388	4.0
391.29767	17.4
393.31467	7.7
401.28271	4.0
407.29056	3.8
409.30997	20.3
419.29700	17.0
437.30484	33.7
455.31519	31.2
465.29718	7.2
473.32263	5.9
483.30701	12.9
519.32220	4.7
526.65466	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	519.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46935	8.2
55.05494	10.6
63.22936	9.2
67.05489	21.1
69.07053	16.5
70.06578	22.0
79.05493	18.1
81.03420	12.0
81.07047	52.9
83.04993	8.5
83.08610	13.8
85.02901	12.2
91.05468	27.7
93.07026	45.7
95.08592	63.2
105.07001	73.9
107.08558	67.3
108.59766	10.3
109.10137	34.0
116.37634	8.2
117.07033	10.4
119.08564	100.0
121.06468	10.9
121.10134	40.4
131.08553	61.7
133.10100	56.1
135.07991	19.1
135.11736	10.4
137.05969	41.8
137.11325	9.9
143.08510	21.6
145.10124	59.2
147.08139	12.5
147.11691	34.0
149.09555	12.4
157.10091	24.7
159.11687	37.3
161.09598	15.2
161.13283	37.5
163.14819	35.0
169.10158	12.4
170.10921	12.8
171.11717	20.0
172.04149	10.8
173.13245	80.8
175.07552	11.9
175.14824	52.6
185.13293	39.2
187.14796	52.5
189.12679	12.5
189.16344	15.1
191.14296	60.8
191.17932	15.7
199.14842	26.6
201.12794	10.2
201.16275	48.4
203.14273	26.2
203.17978	10.0
213.16408	12.5
215.14201	11.7
217.15833	12.4
219.13669	27.0
221.15308	17.0
245.15289	11.9
249.14867	14.1
305.13516	9.5
368.28952	9.2
391.29657	16.4
409.30853	24.0
419.29272	14.6
437.30365	31.9
455.31430	32.2
473.32523	45.5
501.32306	10.2
504.81223	10.2
519.29718	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3308
Annotation	Saponaceolide A
Peak:m/z	Relative Intensity
51.78582	6.8
56.16488	6.1
58.39683	5.8
61.28765	6.6
66.77312	5.9
67.05493	10.8
69.07033	10.6
71.25197	15.9
72.44162	5.2
76.02414	5.8
79.05491	11.8
81.07038	21.7
91.05454	22.0
93.07017	26.4
95.08585	24.0
99.08072	25.7
103.61691	5.8
105.07001	59.5
107.08589	47.1
109.10154	15.1
119.08560	100.0
121.06506	7.7
121.10132	25.4
123.08057	13.1
131.08557	54.1
133.10088	37.4
135.07957	9.5
135.11671	20.3
143.08565	10.6
145.10098	52.7
147.08031	12.2
147.11658	58.4
149.09557	8.7
149.13310	9.4
157.10117	17.7
159.11633	36.5
161.09601	10.1
161.13194	24.4
163.11246	9.1
163.14796	15.8
169.10031	9.8
171.11719	13.6
173.13260	57.5
175.14804	58.4
179.14142	7.4
185.13188	25.0
187.14781	73.1
189.12767	16.5
189.16275	11.2
191.14304	33.3
199.14856	24.0
201.16324	71.0
203.14325	16.2
205.15770	7.6
213.16353	7.6
215.14214	11.3
217.15849	8.2
219.13800	9.3
219.17410	25.7
229.15880	10.1
235.13312	18.0
239.17943	6.9
249.14815	6.9
337.25165	6.1
373.28546	7.8
391.29831	26.6
393.31281	8.6
409.30991	34.7
415.68021	6.9
419.29333	12.3
437.30292	49.7
439.32291	9.2
455.31558	42.9
465.29767	12.2
473.32080	10.7
483.31100	18.2
540.90540	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	519.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.6
55.01850	7.6
55.05484	13.2
65.03907	4.6
67.05484	17.7
69.03411	15.0
69.07050	11.1
70.06561	5.2
71.04977	7.8
71.70322	6.4
72.08142	3.7
76.02206	7.1
79.05471	12.5
81.03386	9.5
81.07046	28.3
83.04955	13.4
83.08611	3.7
84.04468	3.8
85.02872	17.8
85.06535	9.4
85.82020	3.2
86.09696	4.0
91.05460	20.6
91.05913	5.4
93.07033	25.8
94.04150	5.2
95.04950	10.8
95.08594	23.6
97.02853	8.9
97.06521	9.6
99.04431	6.0
99.08066	12.8
103.05435	5.3
105.07019	39.4
107.04947	8.1
107.08566	32.5
109.02868	8.0
109.06506	11.2
109.10136	16.6
109.43417	3.6
111.04431	4.7
111.07985	3.9
115.05452	5.5
117.07024	6.2
119.04925	9.7
119.08567	44.0
121.06469	13.3
121.10148	18.2
122.03609	7.8
123.08018	7.1
123.11697	5.8
125.05984	4.8
125.09605	3.8
127.03841	5.7
128.06136	4.0
129.05478	3.7
129.06961	9.9
131.04903	9.9
131.08536	28.6
133.02907	4.5
133.06476	7.7
133.10114	24.5
135.04373	10.4
135.08025	11.6
135.11647	8.2
137.05954	100.0
137.09566	5.9
139.07512	3.5
143.04926	4.8
143.08559	8.8
145.10077	24.8
147.04411	28.5
147.08003	8.6
147.11650	19.5
149.05962	13.9
149.09567	6.4
149.13239	8.7
151.03896	8.5
151.07570	7.1
151.11267	5.1
157.10107	12.2
159.08035	6.4
159.11653	16.7
160.05177	3.8
161.05971	19.0
161.09679	6.2
161.13249	9.7
163.03879	7.9
163.07539	7.4
163.11180	5.3
163.14824	5.6
165.06981	4.3
166.15776	4.0
167.05544	10.6
167.06976	8.8
169.10045	6.6
171.11581	5.1
172.03862	6.4
173.09657	4.6
173.13246	27.2
175.07494	12.1
175.11150	9.1
175.14777	15.2
175.58102	3.3
177.05405	13.0
177.12747	7.5
183.11714	7.8
185.13141	5.7
187.07486	6.3
187.14836	19.7
189.09024	5.4
191.07094	4.6
191.14317	22.6
195.13766	6.8
199.14754	6.1
201.12659	7.8
201.16354	10.8
203.14278	12.0
204.06541	11.7
207.06335	3.5
208.61858	3.7
209.15271	5.1
213.16472	4.1
215.14297	5.5
217.15689	6.5
219.08005	4.6
219.13805	10.9
219.17377	4.4
221.15302	4.7
235.07463	6.6
235.16968	5.2
261.09341	5.5
270.15161	4.6
275.06927	4.4
277.08545	4.5
281.08084	3.9
283.09656	6.5
291.09955	5.3
299.06137	19.7
309.11130	5.6
321.11301	7.4
335.12674	6.7
347.12933	7.7
357.09598	8.4
359.13031	4.2
365.13776	11.8
373.17923	18.1
391.30124	7.6
395.14594	4.0
419.29587	4.2
437.30267	14.4
448.15158	20.2
449.15567	5.6
455.31586	12.7
473.32416	16.0
483.18024	8.4
483.30597	4.9
501.18790	10.7
501.32034	6.0
519.18823	26.3
519.31989	7.0
519.39240	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	519.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.01863	4.4
55.05503	18.3
57.03428	4.7
57.07068	3.2
65.03931	3.1
67.05492	23.1
69.03414	6.4
69.07066	14.1
69.51864	4.7
69.52262	16.1
71.04985	4.0
74.46238	2.1
79.05475	27.6
81.03419	20.7
81.07048	32.6
83.04963	7.0
83.08588	10.5
85.02888	9.3
85.06534	5.9
91.05448	38.7
93.07027	38.9
95.04944	25.6
95.08595	28.6
97.02885	5.5
97.06520	13.6
97.10159	5.3
98.98445	17.0
99.04398	2.6
99.08060	12.4
105.07014	60.0
107.04946	6.9
107.08570	40.3
109.02848	3.4
109.06511	14.0
109.10138	13.1
111.04420	7.7
111.08078	5.2
115.05460	2.8
117.06986	18.9
119.04904	3.7
119.07729	4.1
119.08563	59.6
121.06496	12.6
121.10142	19.9
123.04400	11.9
123.08051	8.9
123.11674	4.3
125.05959	8.2
125.09608	3.3
127.03893	3.2
127.07470	2.4
128.06215	4.5
129.07002	9.5
131.04900	11.5
131.08553	66.8
133.06470	8.8
133.10100	21.9
135.08049	7.5
135.11662	11.1
137.05965	11.3
137.09628	3.9
137.13252	2.7
141.07019	2.2
143.08545	17.7
144.09283	2.5
145.06467	5.0
145.10106	44.0
147.04440	10.4
147.08035	16.0
147.11661	21.3
148.04758	3.5
149.05960	28.3
149.09607	10.3
149.13197	6.3
151.07535	4.6
151.11200	3.5
155.08537	4.1
157.10104	19.3
159.08037	2.7
159.11673	30.9
161.09615	12.0
161.13217	13.9
163.03937	2.6
163.11215	10.6
163.14764	21.3
165.12759	3.2
167.05568	4.9
168.09494	3.1
169.10106	8.4
171.11659	10.3
172.03790	2.8
173.09647	3.6
173.13240	100.0
173.60092	2.2
175.11197	8.5
175.14801	23.6
177.05402	2.7
177.12688	10.1
177.16327	3.7
181.10101	3.6
183.11699	7.4
185.13284	16.3
187.14777	16.8
189.12721	4.6
189.16420	2.5
191.14282	81.1
191.15988	5.1
193.04985	3.8
193.12245	7.8
197.13190	3.9
199.14799	10.7
201.12685	10.5
201.16380	6.0
203.14291	68.9
204.06555	8.0
207.11801	3.7
207.13763	5.5
209.13268	2.4
211.13258	8.0
211.14949	3.0
215.14189	3.7
217.12282	3.7
217.15907	3.8
219.13741	28.9
219.17299	3.4
221.15338	46.8
229.15862	2.3
235.13199	14.2
235.16855	2.8
237.07423	2.6
237.14697	3.8
239.16464	7.2
255.17627	3.2
267.15927	3.7
273.18457	16.3
299.06049	9.1
325.12112	2.5
327.10388	2.5
347.22092	24.7
357.14166	2.9
378.95389	2.7
391.29681	4.0
401.27805	2.4
409.23730	2.7
409.30951	4.7
415.28107	4.0
419.29187	8.6
421.31299	3.1
437.30527	15.3
455.31470	27.7
457.32889	5.1
465.30518	2.2
473.32578	64.5
475.34445	3.2
483.30927	3.8
501.32010	7.2
510.12039	2.8
519.29486	13.0
520.20660	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	519.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.8
51.02373	1.0
53.00284	0.8
53.03940	5.5
55.01848	2.5
55.05501	20.2
57.03414	1.6
57.07065	45.9
65.03912	2.7
67.05492	57.0
69.03391	1.0
69.06687	0.9
69.07056	19.3
69.96066	3.6
71.04964	2.0
71.08617	32.6
73.06535	1.4
73.39757	0.6
77.03901	1.0
79.05479	62.9
81.03394	7.7
81.07041	56.5
83.04969	10.9
83.08604	20.1
85.06515	2.4
85.09673	1.1
85.10168	18.5
91.05463	49.4
93.07027	50.9
95.04328	0.7
95.04955	19.4
95.08589	49.7
97.06504	3.4
97.10143	9.9
99.08080	1.2
99.11707	0.9
103.05408	1.0
105.04488	1.5
105.07013	35.2
107.04945	6.8
107.08569	15.1
109.06488	5.6
109.10134	18.6
111.08065	1.1
111.11697	1.7
115.05412	1.2
117.07005	7.4
119.08559	20.2
121.06472	2.8
121.10144	3.3
123.08045	6.2
123.11690	5.7
125.13253	0.9
127.07479	1.5
128.06189	2.4
129.06987	14.5
131.08519	2.5
133.06445	1.4
133.10107	10.2
135.08012	1.0
135.11652	2.4
137.13243	2.9
141.09071	1.2
142.07817	0.8
143.08542	7.6
145.10077	8.3
147.08031	2.7
147.11655	34.2
151.14778	1.2
156.09346	0.9
159.11612	1.2
161.09601	3.7
161.13231	13.1
163.11143	1.2
165.16382	0.9
171.11665	25.8
188.72084	0.6
189.12723	12.6
207.13770	31.3
221.22636	1.3
225.14915	3.1
239.23657	7.4
281.17493	1.8
313.27328	1.1
519.40350	100.0
520.40637	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	519.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.8
53.00282	0.8
53.03934	6.9
55.01858	3.0
55.05505	21.2
57.03426	1.8
57.07067	47.8
63.42834	0.9
65.03935	2.9
67.05497	58.6
69.01073	0.8
69.07059	19.1
70.95852	1.1
70.96200	1.9
71.01303	0.8
71.04987	2.6
71.08621	33.7
73.06558	1.7
77.03950	1.4
79.05484	55.8
81.03397	8.4
81.07046	51.6
81.07542	1.5
83.04966	9.9
83.08611	20.2
83.20818	0.8
85.06548	1.8
85.10169	18.0
91.05469	46.4
93.07032	48.6
95.04393	1.6
95.04961	18.8
95.08592	48.9
97.02847	1.1
97.06516	5.4
97.10143	8.7
99.08092	1.0
105.04460	1.0
105.07018	32.5
107.04948	5.0
107.08579	13.5
109.06520	5.5
109.10143	16.6
111.08066	1.4
111.11691	1.9
113.90305	0.8
117.07012	8.1
119.08569	18.5
119.93961	0.8
121.06498	1.6
121.10154	3.9
123.08080	4.6
123.11679	5.3
128.06210	1.9
129.06990	14.1
131.08585	2.1
133.06551	1.1
133.10120	7.9
135.08075	0.9
135.11734	1.3
137.13275	2.8
142.07690	0.9
143.08537	8.6
145.10129	7.0
147.08049	2.3
147.11670	31.2
151.11243	0.9
151.14850	1.0
161.09622	2.4
161.13235	10.1
171.11676	23.9
179.14297	1.4
189.12723	9.8
194.00076	0.9
207.13773	30.5
225.14862	3.7
232.32945	0.8
239.23676	7.8
281.17462	1.7
289.59995	0.8
313.27319	1.2
411.43698	0.9
519.40393	100.0
520.40802	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	520.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01874	1.4
57.03422	1.9
61.02886	1.0
67.05487	1.1
69.03420	2.5
69.39064	1.0
70.06567	1.3
71.70028	1.1
71.70451	2.1
79.05483	2.0
81.03393	1.5
81.07037	2.1
83.05010	1.5
85.02897	4.8
91.05460	3.3
93.07028	3.0
93.57010	0.9
95.04964	1.8
95.08597	1.6
97.02883	2.1
102.04664	1.2
103.05466	2.2
105.07021	2.4
107.04904	1.5
107.08575	2.0
109.02890	1.0
109.06470	1.3
109.10109	1.5
111.08048	1.1
115.05426	1.5
117.03345	3.6
117.07022	1.3
119.04958	1.6
119.08530	2.2
121.06464	1.2
127.03882	1.4
129.06935	1.7
130.04117	5.0
131.04897	3.8
132.05693	1.3
133.06496	1.4
133.10071	1.8
135.04424	1.5
137.05968	18.3
138.06331	2.5
144.05647	1.4
145.06401	1.8
145.10019	1.4
147.04401	9.5
147.07942	1.0
147.11714	1.2
149.05911	1.1
150.06812	1.0
151.03893	2.3
153.05426	2.0
153.07066	1.0
154.89555	1.0
156.05666	1.2
157.06494	1.6
159.04498	1.1
159.08000	3.6
159.11588	1.6
160.05235	1.3
161.05975	12.6
161.09572	1.1
162.06743	29.2
162.20659	1.1
163.07578	1.2
165.07004	3.9
166.07645	1.1
167.08542	1.5
169.06473	1.7
175.07550	3.6
177.05443	3.0
178.05833	1.2
178.07796	1.6
179.08580	1.7
181.06453	1.5
183.08076	1.4
186.06799	3.4
187.07512	9.1
188.08295	4.4
189.06981	2.2
190.07730	3.5
191.08516	11.5
193.06366	2.1
194.07164	3.0
195.08029	2.4
198.11217	1.2
199.07529	1.2
201.09149	1.3
203.08577	2.2
205.06464	2.8
205.08569	5.4
205.10245	1.2
206.07237	3.2
207.08020	4.6
208.08716	2.0
209.09682	2.7
210.06680	1.5
211.07539	1.4
216.42238	1.1
218.07208	2.2
219.07990	16.8
219.61740	1.1
220.08772	2.9
221.05998	2.7
221.09596	1.4
222.06644	1.6
223.07553	4.0
223.11034	1.6
224.08298	2.7
225.09010	2.7
231.08043	2.9
232.08963	1.2
233.05923	1.2
233.09566	2.4
234.06787	2.4
234.10300	3.3
235.07541	5.5
236.04628	1.5
236.08240	4.1
237.09070	2.9
238.06253	1.3
239.06998	2.5
241.08632	1.1
242.66029	1.1
246.06740	2.0
247.07520	12.3
248.08272	5.0
249.09102	2.4
250.09904	1.2
251.07039	2.6
251.10675	4.2
252.07764	3.3
252.11406	3.3
253.08554	5.4
254.09265	1.3
258.06628	1.1
259.07605	1.5
261.09024	3.4
262.09866	4.7
263.07040	3.1
263.10645	2.8
264.07751	4.0
265.08569	7.8
266.09418	1.1
267.10187	1.2
269.08029	1.6
275.06940	4.2
276.07867	2.0
277.08542	3.4
278.09253	1.9
279.10068	7.1
280.10977	3.2
281.08139	5.3
281.10992	1.3
282.08771	1.2
289.08569	2.1
290.09421	2.7
291.09982	5.7
292.07278	1.7
293.11526	1.5
294.12433	1.3
295.09641	1.7
297.11176	4.9
299.12787	1.4
304.10501	1.8
307.09579	5.5
308.10309	18.8
309.11130	6.0
310.11948	6.1
312.13538	1.3
322.11908	5.8
324.13538	1.2
325.10675	42.1
328.12933	7.9
339.12476	2.0
340.12997	100.0
341.13428	1.4
373.17807	3.5
520.18262	1.2
520.24652	11.9
520.32214	2.1
529.09180	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01874	1.4
57.03422	1.9
61.02886	1.0
67.05487	1.1
69.03420	2.5
69.39064	1.0
70.06567	1.3
71.70028	1.1
71.70451	2.1
79.05483	2.0
81.03393	1.5
81.07037	2.1
83.05010	1.5
85.02897	4.8
91.05460	3.3
93.07028	3.0
93.57010	0.9
95.04964	1.8
95.08597	1.6
97.02883	2.1
102.04664	1.2
103.05466	2.2
105.07021	2.4
107.04904	1.5
107.08575	2.0
109.02890	1.0
109.06470	1.3
109.10109	1.5
111.08048	1.1
115.05426	1.5
117.03345	3.6
117.07022	1.3
119.04958	1.6
119.08530	2.2
121.06464	1.2
127.03882	1.4
129.06935	1.7
130.04117	5.0
131.04897	3.8
132.05693	1.3
133.06496	1.4
133.10071	1.8
135.04424	1.5
137.05968	18.3
138.06331	2.5
144.05647	1.4
145.06401	1.8
145.10019	1.4
147.04401	9.5
147.07942	1.0
147.11714	1.2
149.05911	1.1
150.06812	1.0
151.03893	2.3
153.05426	2.0
153.07066	1.0
154.89555	1.0
156.05666	1.2
157.06494	1.6
159.04498	1.1
159.08000	3.6
159.11588	1.6
160.05235	1.3
161.05975	12.6
161.09572	1.1
162.06743	29.2
162.20659	1.1
163.07578	1.2
165.07004	3.9
166.07645	1.1
167.08542	1.5
169.06473	1.7
175.07550	3.6
177.05443	3.0
178.05833	1.2
178.07796	1.6
179.08580	1.7
181.06453	1.5
183.08076	1.4
186.06799	3.4
187.07512	9.1
188.08295	4.4
189.06981	2.2
190.07730	3.5
191.08516	11.5
193.06366	2.1
194.07164	3.0
195.08029	2.4
198.11217	1.2
199.07529	1.2
201.09149	1.3
203.08577	2.2
205.06464	2.8
205.08569	5.4
205.10245	1.2
206.07237	3.2
207.08020	4.6
208.08716	2.0
209.09682	2.7
210.06680	1.5
211.07539	1.4
216.42238	1.1
218.07208	2.2
219.07990	16.8
219.61740	1.1
220.08772	2.9
221.05998	2.7
221.09596	1.4
222.06644	1.6
223.07553	4.0
223.11034	1.6
224.08298	2.7
225.09010	2.7
231.08043	2.9
232.08963	1.2
233.05923	1.2
233.09566	2.4
234.06787	2.4
234.10300	3.3
235.07541	5.5
236.04628	1.5
236.08240	4.1
237.09070	2.9
238.06253	1.3
239.06998	2.5
241.08632	1.1
242.66029	1.1
246.06740	2.0
247.07520	12.3
248.08272	5.0
249.09102	2.4
250.09904	1.2
251.07039	2.6
251.10675	4.2
252.07764	3.3
252.11406	3.3
253.08554	5.4
254.09265	1.3
258.06628	1.1
259.07605	1.5
261.09024	3.4
262.09866	4.7
263.07040	3.1
263.10645	2.8
264.07751	4.0
265.08569	7.8
266.09418	1.1
267.10187	1.2
269.08029	1.6
275.06940	4.2
276.07867	2.0
277.08542	3.4
278.09253	1.9
279.10068	7.1
280.10977	3.2
281.08139	5.3
281.10992	1.3
282.08771	1.2
289.08569	2.1
290.09421	2.7
291.09982	5.7
292.07278	1.7
293.11526	1.5
294.12433	1.3
295.09641	1.7
297.11176	4.9
299.12787	1.4
304.10501	1.8
307.09579	5.5
308.10309	18.8
309.11130	6.0
310.11948	6.1
312.13538	1.3
322.11908	5.8
324.13538	1.2
325.10675	42.1
328.12933	7.9
339.12476	2.0
340.12997	100.0
341.13428	1.4
373.17807	3.5
520.18262	1.2
520.24652	11.9
520.32214	2.1
529.09180	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.3
54.96025	2.3
55.05491	8.8
57.03421	3.8
57.07062	2.6
59.05014	3.3
67.05504	13.5
69.03416	4.0
69.05573	2.5
69.07032	8.2
71.04952	4.6
75.04464	10.3
75.96177	2.5
79.05476	25.0
81.03419	3.4
81.07050	100.0
83.08624	4.7
85.02881	7.2
85.06505	12.6
87.00809	4.5
91.05449	22.0
92.15053	2.2
93.07030	33.3
95.04935	4.0
95.08592	33.7
97.02892	4.6
97.06522	4.9
105.01816	4.7
105.06344	4.7
105.07024	79.6
107.04892	2.9
107.08582	84.6
109.06499	4.9
109.10140	23.7
109.17487	2.3
111.08013	2.8
117.06997	6.7
119.08559	42.7
121.10114	26.8
123.08029	3.5
123.11718	4.7
125.09568	3.7
127.03871	7.3
129.06963	3.9
130.07718	5.3
130.21510	2.4
131.08554	25.0
133.10081	14.0
135.11655	11.3
137.05945	7.0
143.08508	5.3
145.10110	96.7
147.04352	5.1
159.11691	37.2
161.13242	78.8
163.14801	83.4
173.13228	7.5
175.14749	5.0
179.14281	13.1
191.14371	3.0
191.17885	3.5
201.16356	37.9
202.16750	3.7
219.17416	20.6
230.25508	2.6
237.18481	6.1
237.47177	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	520.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69183	0.1
52.76994	0.1
55.05505	0.3
56.05031	0.5
57.03429	0.1
58.06620	0.5
60.08156	6.2
63.85036	0.1
67.05515	0.6
69.07077	0.3
70.95704	0.2
71.07367	3.0
80.11501	0.1
81.07052	0.5
83.08604	0.2
86.09694	31.4
87.10052	0.2
93.07030	0.1
95.08595	0.4
97.81924	0.1
98.98449	2.9
98.99074	0.2
102.17178	0.1
104.10722	3.1
109.10117	0.2
123.97696	0.1
124.99986	21.8
143.01031	0.3
184.07318	100.0
185.07663	0.4
228.21687	0.1
337.27219	0.2
502.32852	1.1
520.33850	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.2
56.05021	1.2
57.03428	0.4
57.07046	0.3
58.06567	1.3
59.07362	0.3
60.08152	16.9
67.05492	3.5
69.07053	1.5
70.06572	0.2
70.21503	1.0
71.07360	6.8
79.05467	0.9
81.07038	2.9
83.08618	0.4
86.09690	51.2
91.05457	0.6
93.07018	0.8
95.08588	2.1
97.06512	0.2
97.10093	0.2
98.98447	4.2
104.10722	92.6
105.07020	0.5
105.11044	0.4
107.08565	0.7
109.10131	0.7
119.08514	0.4
121.10093	0.2
123.11719	0.2
124.99980	28.0
133.10107	0.2
143.01097	0.3
163.01564	0.5
181.02599	0.2
184.07310	100.0
185.07663	0.4
258.11002	1.0
337.27341	0.9
349.98273	0.2
443.25433	0.4
476.32718	0.2
502.25439	0.5
502.32834	7.8
514.11346	0.2
520.33911	22.0
521.34119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01846	0.7
57.03415	0.7
69.03413	1.6
69.07047	0.5
70.06564	0.6
71.04984	0.8
71.11629	0.7
71.11975	1.3
77.03892	1.0
79.05479	0.9
80.75243	0.5
81.07018	0.9
85.02901	3.0
87.04485	0.7
91.05450	2.1
93.07037	1.0
95.04956	1.9
97.02905	1.0
103.05456	51.3
105.07013	1.4
107.04980	1.2
115.05434	0.8
117.07001	0.8
119.04920	1.9
121.06477	0.7
123.08069	0.7
127.03919	0.8
131.04912	100.0
132.05237	1.0
133.06535	1.5
135.08084	0.6
137.05954	16.4
137.09572	0.6
138.06314	0.7
145.02789	0.7
147.04408	3.1
151.03888	1.8
151.07558	1.5
161.05972	2.9
162.06738	1.3
163.07524	33.8
175.07503	1.5
177.05479	0.9
179.07047	1.4
181.08600	0.7
187.07584	0.8
189.09047	1.2
195.01636	0.8
247.07654	0.7
295.09839	0.6
311.12915	0.8
313.14334	0.8
341.10159	0.9
341.13965	1.0
359.11688	0.6
365.51865	0.6
521.18951	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
53.03938	1.0
57.03423	0.5
61.02927	0.4
64.66756	0.3
69.03424	0.9
70.06578	0.6
70.95284	0.9
73.02867	0.4
77.03918	0.6
79.05472	0.9
81.03400	0.6
85.02889	1.6
85.07635	0.4
91.05488	1.2
95.04942	1.5
97.02879	0.6
103.05452	57.3
105.07008	4.1
105.76312	0.3
107.04927	0.8
115.05432	1.0
119.04932	1.3
131.04906	100.0
132.05270	1.5
133.06482	2.9
135.04497	0.4
137.05945	5.1
141.11429	0.4
145.04962	0.4
147.04379	1.8
149.05965	0.5
151.03830	0.5
161.05940	8.9
163.07518	25.5
175.07486	1.3
179.06970	1.0
187.07539	1.5
216.99460	0.4
278.93533	0.4
279.10229	0.6
291.10205	0.5
311.12939	0.6
343.75143	0.4
521.20953	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	0.5
53.03930	1.1
64.05228	0.4
66.24581	0.4
69.03407	0.7
69.07068	0.5
69.80340	3.2
70.06570	1.3
72.08128	0.9
77.03894	0.9
79.05463	1.0
81.03422	0.7
81.07052	0.5
84.08115	0.6
85.02880	1.7
86.09658	0.5
91.05468	1.0
93.07017	1.1
94.67663	0.4
95.04932	1.6
97.02855	0.8
101.63225	0.4
103.05447	53.8
105.07001	4.6
107.08564	0.5
109.02850	0.8
109.06514	0.6
115.05426	1.1
119.04905	0.7
120.08054	0.9
121.06393	0.5
121.10139	0.6
131.04901	100.0
133.06453	3.6
137.05940	3.8
147.04385	1.7
151.03859	0.7
151.11179	0.6
161.05956	10.3
163.03880	0.8
163.07512	29.8
172.05283	0.5
175.07536	1.5
179.06978	0.9
187.07494	1.1
191.14388	0.8
264.33868	0.5
291.10092	1.0
311.12686	0.9
451.57834	0.6
519.36115	0.5
521.19244	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05460	0.5
53.03930	1.0
55.01854	0.8
57.03425	0.7
69.03417	2.0
70.06567	1.2
71.68905	0.9
79.05476	1.5
79.61907	0.5
81.03393	1.1
81.07045	1.3
85.02885	2.8
86.09676	0.8
91.05466	1.9
93.07028	1.0
95.04980	1.2
95.08589	0.7
97.02925	1.2
97.06541	0.6
99.04471	0.6
100.79831	0.5
103.05451	50.8
105.07000	1.7
107.04960	0.7
107.08556	1.0
109.06427	0.6
111.04369	0.6
112.25121	0.5
119.04921	1.3
119.08566	1.0
120.08137	0.6
122.03612	0.8
127.03912	1.4
131.04906	100.0
132.05196	0.6
133.04890	0.5
133.06418	1.1
133.10112	0.6
135.04355	0.6
135.08038	0.7
137.05956	16.8
137.07010	1.0
137.09604	0.7
138.06300	0.8
147.04404	2.5
149.06012	0.9
149.09523	0.6
151.03929	2.8
151.07523	1.9
154.63416	0.5
155.14613	0.5
161.05948	2.4
162.06799	0.9
163.07518	33.9
175.07544	1.4
177.05516	1.2
177.09052	0.5
178.05058	0.5
179.07066	1.3
189.09082	0.7
219.54433	0.5
265.08588	0.9
313.14197	1.2
323.79446	0.5
341.10089	1.6
341.13858	0.8
468.55725	0.6
521.19177	2.8
532.83142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83693	0.9
53.03928	5.8
54.04559	1.2
55.01863	52.9
55.05503	14.1
57.03428	8.3
62.82829	1.0
65.03915	2.0
67.05141	2.3
67.05494	42.8
69.03407	2.2
69.06683	2.0
69.07053	32.2
69.39548	10.7
69.54443	1.1
71.04969	2.9
71.08620	3.0
79.05479	28.1
81.03419	8.0
81.07040	39.2
83.04973	8.6
83.08607	8.5
85.06499	1.4
88.01010	1.0
88.40416	1.0
91.05457	35.1
92.05765	1.3
93.07027	31.4
95.01327	5.5
95.04951	12.6
95.07998	1.7
95.08592	25.8
97.02867	1.3
97.06513	93.4
97.10146	3.7
98.20644	2.1
98.29209	1.1
98.98451	52.3
99.08045	2.2
105.07008	38.1
106.08281	1.2
107.04933	23.7
107.08578	17.0
109.06491	6.4
109.10148	14.5
111.04410	3.0
111.08039	3.0
113.09623	1.8
114.56723	1.1
115.05451	1.9
116.99468	1.4
117.06976	11.6
119.04996	1.2
119.07740	1.7
119.08561	21.0
121.06493	6.4
121.10114	9.9
123.04404	2.1
123.08031	6.6
123.11678	1.6
125.09644	4.9
129.06989	3.6
131.08543	14.3
133.06444	1.8
133.09160	1.9
133.10104	22.6
135.08044	5.2
135.11667	5.5
137.09590	4.9
137.13251	1.4
139.07501	4.0
143.08487	2.4
145.06493	2.8
145.10106	12.2
147.08066	2.2
147.10590	1.2
147.11671	13.1
149.09622	14.3
149.13214	2.8
151.11150	3.8
153.09015	1.3
155.00964	7.6
155.08507	1.4
157.10158	1.9
159.11668	10.3
161.09610	1.8
161.13214	4.2
163.11169	11.2
165.09050	3.2
169.10130	2.9
171.10144	3.0
171.11646	3.4
171.23933	1.0
173.02124	7.9
173.09598	1.8
173.11650	3.0
173.13252	6.1
175.11142	1.8
177.12692	6.4
179.10661	1.3
179.14275	13.6
183.10100	1.3
183.11592	2.0
185.13138	1.4
187.11107	3.4
187.14664	1.3
189.11121	1.4
189.12671	1.4
195.13794	1.5
201.12793	1.2
205.12224	1.4
207.13770	1.6
215.17966	1.6
223.13203	2.6
227.12660	2.2
229.14241	5.7
229.19447	2.6
239.18034	3.5
247.05780	6.0
247.20575	5.0
257.18958	7.8
275.20020	83.7
276.20416	1.4
293.21027	11.7
331.22690	1.3
349.23660	100.0
367.24783	8.1
414.80957	1.6
429.20221	3.9
485.22885	2.6
503.24094	2.5
503.33176	1.8
521.25238	3.1
521.33459	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.01871	10.8
55.05504	28.7
57.03439	8.7
57.07051	1.9
65.03930	3.1
67.05497	35.3
69.03404	2.0
69.07064	14.0
71.04980	4.0
71.70403	3.1
79.05485	63.9
81.03383	5.5
81.06618	1.9
81.07054	26.9
83.04960	7.1
83.08620	11.4
85.02917	2.0
85.06514	2.7
91.05470	34.6
93.06505	2.8
93.07033	35.2
95.04948	9.9
95.08591	16.3
97.06522	13.2
97.10163	12.2
98.98461	66.0
99.59132	1.6
103.05487	2.2
105.07018	32.2
107.04945	25.5
107.08585	49.1
108.08880	2.1
109.02885	1.9
109.06497	4.9
109.10129	17.6
111.08074	3.8
114.09157	2.8
117.07000	12.9
119.08571	20.8
121.06466	4.7
121.10117	14.0
123.08056	2.4
123.11670	3.1
125.09612	16.2
129.06992	2.4
130.07814	2.0
131.04941	3.4
131.08534	9.8
133.10092	16.6
135.04326	2.6
135.08040	5.9
135.11671	6.4
137.06013	2.8
137.09610	2.4
141.07013	1.9
143.08545	3.8
145.06487	1.9
145.10112	16.8
147.04315	2.0
147.11685	12.7
149.09607	20.0
149.13257	2.9
149.36316	1.8
153.09071	14.2
155.00989	8.4
155.08540	1.8
157.10074	3.6
159.11699	9.6
161.09644	1.9
161.13200	6.1
163.03856	3.4
163.11130	6.5
163.47346	1.6
169.10083	2.0
171.11659	4.0
173.02097	10.5
173.11862	1.9
173.13258	5.2
175.14743	2.4
180.30107	1.8
183.11691	3.1
189.11183	12.9
197.13240	3.1
227.12820	21.7
235.15491	1.6
239.17929	2.1
240.08875	2.5
241.09706	3.8
245.13676	1.9
247.05891	8.2
255.11255	12.0
257.19012	10.1
275.20016	63.0
283.10687	9.7
293.21124	4.1
307.09363	2.9
325.10522	2.0
331.22610	2.5
349.23691	100.0
350.24088	3.0
427.14719	2.8
492.77872	1.8
503.33499	2.1
521.40930	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	521.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
55.01868	14.9
55.05508	18.7
57.03429	11.8
65.03944	2.3
67.05495	43.3
67.35005	1.6
69.03423	3.2
69.07055	18.6
69.48093	12.9
69.48508	4.1
71.04988	1.8
73.87325	1.6
75.04465	2.9
79.05480	39.2
81.03402	4.2
81.07044	54.7
83.04975	6.2
83.08618	11.4
85.02915	3.2
85.06513	2.1
91.05459	34.7
93.07035	36.1
95.04956	10.6
95.08596	27.0
97.06520	20.3
97.10152	3.8
98.98453	82.6
105.07005	33.9
107.04948	11.1
107.08575	30.2
109.06493	12.5
109.10149	15.4
111.08071	4.4
116.99455	2.3
117.06989	12.7
119.08563	27.2
121.06497	4.4
121.10108	14.2
123.08025	4.0
123.11668	4.1
125.09588	8.4
129.06967	3.8
131.08537	16.3
133.10115	23.2
135.04382	1.8
135.08044	5.2
135.11691	9.1
136.99982	2.5
137.05968	1.9
137.09618	3.3
143.08562	3.4
145.10091	18.7
147.08043	3.0
147.11646	14.7
149.09602	11.8
149.13246	6.0
151.11176	2.2
153.09100	4.2
155.01010	18.1
157.10086	5.6
159.11674	13.0
161.09676	2.8
161.13225	4.3
163.03871	6.9
163.11189	9.6
165.09111	2.4
165.12756	2.1
169.10103	2.3
171.10158	3.9
171.11563	3.8
173.02095	13.6
173.13277	7.0
175.14809	2.1
177.12698	3.2
183.11639	2.7
189.11243	3.5
197.13303	4.5
215.17924	2.2
227.12721	6.6
229.04605	1.9
229.14369	4.7
229.19504	4.1
239.17906	4.9
247.05736	7.2
247.20587	5.6
247.63731	1.8
251.16411	4.9
257.18970	13.3
267.15860	2.7
269.17542	4.3
275.20013	74.6
293.21112	5.9
331.22565	5.2
349.23685	100.0
350.23856	2.8
354.63593	1.8
365.23355	1.8
405.16687	3.4
429.20364	1.8
485.22714	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	521.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01866	17.5
55.05502	22.7
57.03437	8.0
67.05494	39.4
69.03427	2.4
69.07054	19.0
79.05484	47.7
80.73949	1.4
81.03400	4.0
81.06599	2.8
81.07046	32.3
83.04971	7.4
83.08600	7.3
85.06521	1.9
91.05461	33.5
93.07029	35.3
95.01270	2.2
95.04964	8.0
95.08591	17.6
97.06512	33.4
97.10167	9.7
98.20676	3.7
98.98454	60.2
104.11797	1.4
104.38727	1.4
105.07013	30.4
107.04939	18.1
107.08577	34.4
109.06499	4.6
109.10127	13.5
111.04413	1.5
111.08068	3.7
113.46293	1.3
117.06992	8.9
119.08576	18.7
121.06506	4.6
121.10112	11.8
123.08070	4.3
123.11692	2.1
125.09601	8.8
129.06934	2.9
131.08527	15.3
133.06477	2.4
133.10121	18.6
135.08063	4.8
135.11650	6.8
135.12531	1.4
137.09602	3.7
143.08545	2.2
145.06470	2.6
145.10104	17.4
147.08070	1.7
147.11641	12.0
147.12682	1.6
149.09601	18.7
149.13237	4.0
151.11172	4.1
153.09077	5.4
155.01006	11.4
157.10101	3.7
159.11639	8.9
161.13251	5.5
163.11217	9.6
165.12704	1.7
171.10117	3.9
171.11655	3.4
173.02069	11.0
173.11769	3.2
173.13301	4.9
177.12704	2.8
179.14270	3.3
183.11662	2.1
184.07425	1.7
187.11183	2.4
187.14825	2.7
189.11154	7.8
189.12706	1.9
197.13225	3.8
205.15739	1.8
208.54422	1.8
227.12720	10.7
229.14323	4.4
229.19553	2.3
229.52461	2.0
239.18010	4.0
247.05682	7.1
257.18973	10.6
275.20032	64.8
293.21094	3.3
331.22513	3.1
340.66696	1.6
349.23679	100.0
485.23062	3.2
503.32892	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21999	1.0
53.03931	1.7
54.96487	0.9
55.01858	3.9
55.05270	1.5
55.05505	16.2
57.03424	2.7
57.06794	1.8
57.07067	30.2
67.05496	31.4
69.03437	1.5
69.07059	13.1
70.75697	2.9
71.04981	2.4
71.08620	19.6
71.09010	1.1
72.48302	0.9
73.02898	1.0
79.05482	24.3
81.03406	4.2
81.07045	30.5
83.04964	4.2
83.08613	13.5
85.06527	1.3
85.10174	11.3
88.59469	0.9
91.05466	11.3
93.06429	1.5
93.07033	34.2
95.04948	8.3
95.08597	42.2
96.08910	1.3
97.02898	4.1
97.06521	2.4
97.10150	5.5
99.04456	3.7
99.11691	1.2
105.07010	7.3
105.28716	0.8
107.04962	8.5
107.08580	21.6
109.06510	2.1
109.10149	12.9
111.04417	1.6
111.11742	1.4
117.07010	9.5
119.08566	8.3
121.06513	4.2
121.10123	11.0
123.11698	3.5
125.05957	2.4
126.56654	0.9
130.07758	2.2
131.08534	3.0
133.10110	2.9
135.08057	2.2
135.11681	36.5
137.13268	1.4
143.08615	1.6
145.10104	23.1
147.07967	1.1
153.12759	2.5
153.76054	1.0
163.11166	51.6
173.09616	2.1
181.12190	11.2
191.10632	2.3
193.12160	1.3
209.11729	4.4
227.12759	100.0
228.13203	1.4
239.23708	4.7
265.14517	1.3
275.19879	1.4
293.20947	1.1
313.27310	2.1
335.52563	0.9
503.33932	1.3
521.38361	65.0
522.38831	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.0
53.03935	3.9
53.84715	1.0
55.01864	8.3
55.05500	28.6
57.03411	3.8
57.07063	48.3
59.04985	2.4
62.01036	1.1
65.03921	2.4
67.05138	1.7
67.05492	30.8
69.03433	1.2
69.07059	15.0
69.48534	9.4
71.01358	0.9
71.04973	4.3
71.08617	32.5
79.05478	21.6
81.03403	12.6
81.07040	37.8
83.01321	6.0
83.04958	10.3
83.08603	24.7
85.02890	3.3
85.06547	1.1
85.10166	15.4
90.55421	0.9
91.05465	15.5
93.07034	22.2
95.04945	9.0
95.08589	37.3
97.02879	1.8
97.06503	5.1
97.10144	9.9
99.04435	2.2
99.08070	1.2
99.11690	1.8
103.05441	1.1
105.06996	10.7
105.78339	1.2
107.04935	7.8
107.08571	12.6
109.04507	0.8
109.06506	4.2
109.10126	14.3
111.04433	1.9
111.08054	3.3
111.11716	2.9
115.05429	1.1
117.07016	7.6
118.54440	1.0
119.08553	7.9
121.06491	2.8
121.10123	8.1
121.82373	0.9
123.08054	6.4
123.11666	6.7
125.05995	1.6
125.09628	1.1
125.13249	2.0
129.06966	1.9
130.07803	1.7
131.04929	1.0
131.08568	3.9
133.10103	2.6
135.08070	1.9
135.11678	11.6
137.13228	4.4
145.06439	0.9
145.10089	13.3
147.08040	2.0
147.11639	1.4
149.09583	1.4
153.12756	2.3
155.08514	1.8
163.11162	27.0
163.12448	1.8
173.09642	3.4
181.12164	4.9
191.10678	4.7
193.12263	2.9
209.11722	9.4
211.13307	2.6
221.22668	1.8
227.12761	7.8
237.21965	1.5
239.23636	10.7
262.04605	0.9
313.27542	1.3
316.24176	1.0
521.38300	100.0
522.38794	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	521.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
55.01854	2.6
55.05505	33.4
56.96555	1.6
57.03429	8.4
57.07063	8.2
58.61615	0.9
59.04981	1.3
62.82000	0.9
65.03925	2.3
65.43323	1.1
67.05134	2.1
67.05497	49.1
69.03413	3.0
69.07059	36.4
69.76125	4.9
69.76536	2.7
71.04972	4.3
71.08617	6.0
79.05482	32.5
81.03405	43.6
81.07045	53.2
83.04972	9.5
83.08611	40.3
83.09006	0.7
85.02897	20.4
85.06519	3.0
85.10166	1.8
86.09712	1.6
91.05465	23.7
93.07034	25.4
95.04957	22.6
95.08595	33.2
97.02899	3.5
97.06519	5.8
97.10159	12.6
99.08051	2.5
105.07018	17.8
107.04954	4.2
107.08571	13.4
109.06483	3.3
109.10156	10.2
111.04433	3.0
111.08051	9.4
111.11707	4.4
113.05949	1.5
115.05449	1.2
117.06986	1.5
117.58778	1.0
119.08560	15.3
121.06501	2.3
121.10126	23.5
123.08041	3.5
123.11685	8.3
125.09644	2.0
129.06995	7.0
129.36734	1.0
131.08540	8.1
133.06514	2.5
133.10129	6.4
135.11668	12.8
136.93074	1.2
137.13255	3.6
142.07741	1.5
145.10117	3.2
147.07933	1.5
147.11653	11.4
149.01256	1.2
149.09645	3.6
149.13264	3.3
151.14761	1.7
154.94159	6.4
157.10121	8.8
163.11150	3.5
163.14793	1.5
165.12689	1.4
172.95219	18.0
173.09569	1.3
173.13268	1.6
175.11160	12.0
184.07375	3.7
190.96304	9.5
191.10660	1.5
193.12227	49.6
195.96803	1.9
209.11719	3.9
210.97745	7.9
211.13271	48.3
212.13643	1.1
212.85558	1.1
213.97845	1.2
219.21062	4.0
227.12726	1.8
228.97870	7.1
237.22060	9.1
246.98886	3.0
267.15793	5.8
285.00421	1.5
303.01556	1.6
311.25781	4.1
328.08743	1.2
419.69940	1.1
429.33545	2.9
447.18271	3.8
447.34091	1.2
465.18997	5.1
466.20172	1.0
503.37375	4.3
521.22021	10.4
521.38354	100.0
522.38763	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	521.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73650	0.5
53.03927	2.3
55.01865	7.2
55.05501	20.6
57.03428	4.1
57.07065	45.2
59.04979	2.3
60.91447	0.5
62.82191	0.5
63.99760	0.6
64.59468	0.6
65.03924	2.7
67.05492	28.6
69.03413	1.3
69.06686	0.8
69.07053	13.5
69.36655	2.6
69.37086	3.9
71.01321	0.9
71.04995	3.4
71.08619	29.6
77.03914	0.8
79.05019	1.0
79.05481	22.9
81.03402	8.7
81.07040	39.0
83.01316	5.7
83.04962	10.1
83.08602	22.1
85.02892	2.1
85.06512	1.7
85.10168	19.4
91.05463	13.0
92.05743	0.5
93.07030	25.8
95.04958	7.7
95.08588	40.6
97.02872	2.5
97.06503	4.8
97.10156	7.8
98.21462	1.1
99.04432	2.6
99.11709	1.0
103.05463	0.9
105.07011	8.9
107.04945	9.1
107.08575	17.0
109.06507	5.8
109.10132	16.0
109.10878	0.9
111.04417	2.0
111.08078	2.0
111.11691	2.5
115.05438	0.8
117.06993	7.8
118.60163	0.5
119.08565	8.0
121.06479	3.7
121.10114	7.8
123.08038	6.0
123.11694	5.7
125.05972	1.7
125.13236	1.6
129.06990	2.5
130.07739	1.8
131.08551	2.2
133.10132	1.8
135.08049	1.4
135.11664	21.1
137.09608	0.8
137.13231	3.6
139.07509	0.8
145.06549	1.0
145.10091	15.9
147.08015	1.4
151.14725	1.4
153.12784	3.6
153.13814	0.7
155.08511	0.9
163.11156	35.5
165.16406	1.2
173.09579	3.5
181.12180	6.7
191.10666	3.4
209.11697	8.9
221.22667	0.9
227.12750	32.7
239.23672	10.6
265.14319	0.7
313.27328	0.6
521.38251	100.0
522.38556	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	521.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00274	1.3
53.03926	3.6
55.01865	6.9
55.05505	21.3
57.03419	4.2
57.07066	48.1
59.04995	2.0
65.03911	1.0
67.05494	36.3
69.03436	1.6
69.07058	16.8
71.04960	3.9
71.08619	34.4
73.02911	1.7
79.05026	2.2
79.05481	33.1
81.03404	6.2
81.07044	45.7
83.01320	2.9
83.04968	7.8
83.08601	24.6
85.02878	2.4
85.06503	1.4
85.10164	16.2
91.05459	14.2
93.06433	1.3
93.07032	42.6
95.04938	8.6
95.08590	68.1
97.02870	3.3
97.06496	6.5
97.10159	8.6
97.46341	1.0
99.04440	6.0
99.08074	1.3
100.26124	1.1
105.07004	11.9
107.04940	11.2
107.08572	27.7
109.06491	5.0
109.10136	15.7
111.04412	3.1
111.08026	1.4
117.07008	11.8
119.08566	11.8
121.06516	6.4
121.10120	13.5
123.08105	2.4
123.11666	5.1
125.05962	3.3
129.06969	1.3
130.07747	3.2
131.08554	1.9
133.10078	2.3
135.08025	2.6
135.11670	39.1
137.13228	3.3
139.07472	2.0
143.08546	1.1
145.10103	29.3
153.12761	2.6
163.11160	65.6
169.97975	1.2
173.09570	2.2
181.10632	1.8
181.12177	14.2
191.10579	2.2
209.11673	7.7
227.12747	100.0
239.23671	7.2
243.60796	1.1
369.16199	1.2
376.56226	1.3
407.10260	1.2
438.70853	1.1
521.38281	87.0
522.38770	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	3.0
54.14291	1.6
55.01871	9.5
55.05505	22.6
57.03422	2.4
57.06805	3.2
57.07067	51.1
59.04979	3.1
65.03930	2.3
65.20198	1.7
67.05496	30.0
69.07059	12.8
71.04963	3.6
71.08620	31.9
71.54848	1.6
73.41904	1.5
79.05477	20.4
81.03400	8.5
81.06611	2.6
81.07046	36.8
83.01313	6.2
83.04972	10.5
83.08596	17.3
85.02866	2.7
85.06494	2.8
85.10161	19.5
91.05458	14.7
93.07030	22.9
94.14554	1.9
95.04947	8.5
95.08012	2.2
95.08595	35.9
97.02869	1.7
97.06503	2.5
97.10155	9.1
98.20647	3.7
99.04443	2.7
105.06989	9.2
107.04939	9.8
107.08569	11.2
109.06497	7.3
109.10115	19.1
111.04414	3.9
111.11676	3.0
117.06995	6.7
119.08569	8.1
121.06468	3.7
121.10142	9.1
123.08055	7.0
123.11654	6.2
131.08551	2.8
133.10135	2.7
135.08060	2.5
135.11664	13.4
137.13260	3.2
145.10091	14.9
147.07982	1.7
153.12692	2.6
163.11148	34.6
173.09612	3.3
181.12239	3.7
209.11642	10.7
227.12701	10.2
239.23685	11.1
274.60016	1.7
328.29575	1.7
410.77972	1.9
412.48932	1.9
521.38239	100.0
522.38934	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	3.8
56.27371	3.7
57.03418	8.4
67.05495	4.6
69.03424	27.2
71.69998	4.9
75.04470	12.9
78.87784	3.4
79.05473	15.9
81.03374	6.0
81.07037	35.1
85.02888	27.3
87.04456	12.5
91.05460	6.6
93.07024	69.9
95.04964	8.6
95.08605	8.0
97.02886	35.7
105.07019	8.5
107.08578	13.0
109.06468	3.6
111.04458	4.7
111.08085	8.2
112.07581	5.9
115.03898	30.7
116.07049	10.0
119.08572	8.9
120.08088	5.5
121.10122	100.0
123.11677	6.1
124.07545	22.6
125.05939	4.7
127.03881	5.2
133.04961	23.1
136.11188	7.5
137.04588	4.0
137.05928	5.9
137.75356	4.4
139.11140	28.7
142.08571	5.7
145.04906	8.1
145.10078	5.5
147.11719	5.7
149.09616	16.3
163.03891	9.9
167.10649	69.3
176.09105	5.2
179.06874	4.8
189.03781	3.5
191.10674	6.0
209.11670	5.0
210.14845	48.2
228.15895	17.8
244.26506	3.7
281.13687	9.1
295.10422	4.0
311.14792	4.9
327.47620	4.8
338.74323	4.1
390.20956	8.7
522.25165	6.5
540.24194	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	522.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04765	0.1
55.05500	0.6
56.05028	0.8
57.03441	0.2
57.07059	0.2
58.06617	0.4
60.08155	6.3
66.86116	0.1
67.05499	0.6
67.47665	0.1
69.07066	0.7
69.36236	1.4
70.57362	0.1
71.07357	2.9
72.51183	0.1
79.05479	0.4
81.03412	0.2
81.07066	0.7
83.08603	0.4
84.15011	0.1
84.85789	0.1
85.02882	0.2
86.09692	32.9
87.10033	0.3
91.05506	0.2
93.07049	0.3
95.04944	0.1
95.08597	0.5
97.10157	0.4
98.21560	0.2
98.98453	3.0
104.10728	3.2
107.08605	0.3
109.10156	0.2
119.08560	0.1
121.10133	0.3
124.99985	22.1
143.01044	0.2
158.10495	0.1
172.95230	0.1
184.07315	100.0
185.07629	0.6
193.12331	0.2
211.13234	0.1
218.60681	0.1
282.85318	0.2
342.95728	0.2
359.91260	0.1
381.41708	0.1
447.83588	0.2
504.34369	1.0
522.23260	0.1
522.35229	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3552
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05508	2.3
56.05018	1.2
57.03413	0.6
57.07057	0.9
58.06573	1.5
60.08156	17.6
64.99136	0.3
67.05501	2.2
67.05827	0.5
69.07052	2.4
70.06577	0.3
70.96096	0.8
71.07363	7.5
71.08617	0.7
79.05482	1.1
79.82034	0.3
81.07051	2.1
83.08601	2.1
85.10163	0.4
86.09695	52.5
91.05429	0.4
93.07034	1.2
95.04948	0.4
95.08605	1.6
97.10165	1.1
98.98449	4.3
104.10729	100.0
105.11069	0.9
107.08591	0.5
109.10166	0.5
120.22386	0.3
121.10139	1.0
124.99986	30.1
135.11662	0.6
163.01535	0.7
172.95174	0.6
184.07321	100.0
184.22023	0.3
185.07579	0.4
211.13390	0.5
258.11023	1.0
339.28876	1.4
504.34402	8.5
522.35437	25.9
523.35498	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88277	3.7
53.03914	6.4
55.01846	4.8
55.05505	18.7
57.03405	8.0
57.07069	8.0
67.05495	30.4
69.07062	22.4
70.88638	6.2
70.88972	7.2
71.04982	4.2
71.08608	10.9
76.24947	4.0
79.05486	30.5
81.03399	8.2
81.07043	42.7
83.04961	9.1
83.08624	10.5
83.20245	3.3
85.06528	6.3
91.05447	28.4
93.07032	48.3
95.04961	13.7
95.08593	42.6
97.06483	10.9
97.10151	8.5
98.98466	17.1
99.08076	37.4
105.07007	80.7
107.04971	6.8
107.08572	83.9
109.06495	8.5
109.10148	42.9
111.08064	7.2
117.07008	10.5
119.08566	96.6
121.06513	9.1
121.10131	57.3
123.08042	9.3
123.11681	11.9
125.09619	8.2
129.07025	8.1
131.08545	58.2
131.95833	4.0
133.06471	7.6
133.10118	67.4
135.08035	4.1
135.11658	41.1
143.08521	14.2
144.49422	3.6
145.10089	62.2
147.11655	75.0
149.09596	11.3
149.13210	19.8
151.11162	9.6
157.10147	19.1
159.11679	42.2
161.13237	29.2
163.11139	10.7
163.14806	19.4
169.10124	4.7
169.45383	3.7
171.11670	16.0
173.11870	7.1
173.13232	43.6
175.14819	22.7
177.12721	7.9
177.16418	21.6
179.14311	10.3
183.11676	8.3
185.13231	27.4
187.14789	81.1
189.16341	25.9
191.17932	13.2
197.13185	5.7
199.14735	27.7
201.16354	100.0
203.14249	16.3
203.17934	6.2
205.15855	71.4
207.17424	9.8
211.14813	11.1
213.16348	10.3
215.17990	11.2
217.15839	13.9
219.17404	32.3
221.15353	7.4
223.14821	6.0
223.16893	59.2
227.17972	8.0
231.17361	11.9
237.18361	7.2
241.19431	5.5
251.16415	6.0
259.20490	4.5
266.48715	3.6
267.20993	4.2
277.21506	14.1
297.21527	4.3
351.25156	34.6
360.35703	3.9
387.30438	8.3
389.32251	6.4
393.31387	6.7
405.31500	34.7
407.33011	39.2
423.32486	46.4
425.34207	39.7
441.33649	82.3
451.31921	11.7
459.34879	32.3
469.32974	10.8
485.24142	4.4
487.34021	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	523.1441
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
53.03921	1.1
55.01862	1.0
55.05476	0.9
56.17337	0.7
57.03420	1.0
61.02898	1.5
64.90296	0.8
67.05505	0.9
69.03419	4.3
69.07056	1.1
69.82605	2.3
69.83038	2.6
70.23469	0.7
71.04980	1.4
72.08133	0.9
79.05480	1.6
81.03397	2.0
81.07048	3.2
83.04957	1.5
85.02892	10.0
85.06514	1.3
91.05463	2.4
93.07024	2.8
93.68083	0.6
95.04963	1.5
95.08591	2.9
97.02871	3.1
97.06532	0.9
105.07001	1.9
107.08567	2.0
107.13761	0.7
109.02878	2.0
109.06505	1.5
109.10162	1.3
111.04397	0.7
117.03393	0.8
118.04177	1.1
119.04913	1.1
119.08545	2.2
121.02856	0.8
121.06474	0.8
121.10127	2.4
123.11696	1.5
125.09561	1.0
127.03885	1.8
133.06548	0.7
135.11594	0.9
137.02284	1.8
137.05956	2.4
139.03877	2.6
145.02774	1.5
145.04903	1.5
145.06442	1.0
146.03590	0.9
147.04356	1.6
151.03902	0.8
153.01799	7.7
153.05449	1.4
157.10094	1.1
159.11646	1.1
161.09485	0.7
161.13341	1.0
163.03806	0.9
164.04626	1.0
165.01828	2.6
165.05438	1.2
167.07022	8.3
168.07774	2.4
176.04694	3.9
177.05493	2.2
179.03439	0.8
183.02885	0.7
184.90007	0.8
192.04224	1.2
195.06479	1.7
221.08067	2.0
229.04948	0.8
233.04260	1.0
243.06573	1.1
247.84033	0.7
257.04373	2.1
258.05164	1.1
259.05975	0.9
260.03244	1.3
271.05942	3.6
272.06876	1.2
275.05545	0.9
285.03757	1.7
287.05429	1.8
299.05524	2.2
300.02463	0.8
300.06134	1.6
301.03638	0.9
301.06912	4.2
303.04987	1.6
305.10181	2.3
313.03363	1.3
315.04950	8.2
317.06467	3.1
327.04895	2.1
328.05783	2.0
329.06494	1.7
330.07236	2.5
331.04419	7.0
345.05963	2.8
346.06796	10.5
361.09122	100.0
362.09470	2.8
410.68625	0.8
523.17847	0.8
523.28613	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.05507	10.0
57.03424	6.4
57.07069	1.8
67.05498	28.1
69.07051	8.9
69.62948	10.3
71.04961	2.1
71.08245	2.2
71.08620	35.0
78.18005	1.2
79.05488	24.8
81.03407	3.0
81.07046	26.3
83.04971	7.3
83.08609	6.5
85.06551	2.3
91.05473	17.3
93.07032	31.8
95.04956	7.7
95.08595	21.0
97.06517	5.4
98.98454	50.9
99.08078	25.1
105.07008	13.2
107.04947	2.9
107.08595	15.9
109.06516	1.7
109.10143	8.1
113.09611	1.8
116.99437	1.7
117.07004	2.5
119.08555	10.6
121.10133	13.4
123.08038	2.1
129.06987	2.4
131.08546	2.1
133.10150	7.7
135.11694	19.3
137.09631	1.9
138.16345	1.2
141.09084	2.5
143.08545	1.8
145.10094	3.6
147.11659	4.0
149.13258	5.3
151.11159	16.1
155.01067	6.6
157.10098	1.7
161.09756	1.4
161.13271	10.1
163.11147	5.8
163.14841	1.7
173.02089	8.2
173.11700	1.8
179.14281	63.2
189.12762	2.2
195.13799	1.8
229.04669	1.5
235.16876	3.1
241.19685	1.7
247.05820	5.8
253.17981	2.9
259.20612	4.0
277.21609	38.8
295.22775	1.7
326.09634	1.1
351.25259	100.0
352.25626	4.6
431.21399	2.2
487.24612	2.9
505.33481	1.8
523.33905	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
54.41148	1.4
55.01868	9.1
55.05266	2.3
55.05505	20.9
57.03435	11.2
57.07063	5.5
65.03928	2.2
67.05495	45.8
69.07059	16.1
71.04993	3.1
71.08622	21.3
71.45765	1.6
71.70880	2.4
75.04483	2.2
79.05482	34.0
81.03408	13.4
81.07042	45.6
83.04968	8.8
83.08608	13.2
85.02850	2.3
85.06531	3.6
85.10166	4.0
91.05462	30.1
93.07030	36.7
94.88162	1.6
95.04960	12.2
95.08584	27.4
97.02881	1.9
97.06493	6.9
97.10148	5.3
98.79506	1.3
98.98453	89.7
99.08083	16.4
105.07011	25.1
107.04942	5.5
107.08585	20.7
109.06490	4.8
109.10140	15.0
111.04384	2.3
111.08073	10.7
113.05991	1.6
113.09628	6.2
114.51161	1.4
116.99498	2.6
117.07023	7.5
119.08560	18.2
121.06478	2.8
121.10140	12.6
123.08072	4.2
123.11718	3.8
125.09607	4.5
129.06976	3.9
131.08524	6.8
133.10106	16.0
135.07991	2.0
135.11673	12.9
136.99971	1.9
137.09567	3.7
143.08560	5.5
145.10092	8.8
147.11656	12.7
148.76936	1.6
149.09612	4.4
149.13222	6.0
151.11162	15.2
153.09113	3.3
153.12740	1.8
155.01022	17.4
157.10143	3.4
159.11687	6.0
161.09665	2.1
161.13213	12.1
163.11180	13.8
163.14771	1.8
165.12744	11.3
171.11671	5.5
173.02087	11.6
173.11838	3.4
173.13243	2.9
175.11148	1.9
175.14835	2.9
177.12708	3.7
179.14299	9.9
181.12288	2.1
185.13213	4.2
189.11189	1.9
189.12827	2.3
191.14247	1.4
195.13858	2.3
199.14822	2.5
207.13797	2.2
217.19540	1.8
221.15477	2.7
223.13304	3.2
227.12729	6.5
229.04648	2.7
231.21083	4.2
241.19597	6.9
247.05717	8.6
249.22150	4.0
251.16371	4.4
259.20508	10.4
269.17407	4.7
277.21588	56.3
278.22009	2.0
295.22595	2.9
299.14944	1.9
333.24188	5.0
336.21298	1.6
351.25244	100.0
352.25558	5.3
405.16641	3.1
431.22021	2.0
487.24420	2.8
491.26257	2.2
505.27783	3.0
523.28534	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	523.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.3
55.01857	3.2
55.05506	15.9
57.03431	7.8
57.07060	3.2
59.04995	1.1
65.03924	1.7
67.05136	1.9
67.05499	34.8
69.03419	1.4
69.07059	14.4
69.68456	2.8
69.68887	5.8
71.04991	2.2
71.08621	20.7
75.58096	0.9
76.30662	0.9
76.58445	1.1
77.03913	0.9
79.05479	24.4
81.03400	12.4
81.07047	29.8
83.04975	6.0
83.08611	7.9
85.02906	1.9
85.06534	2.0
86.09695	1.0
91.05461	16.5
93.07034	27.1
94.07416	1.0
95.04946	13.3
95.05492	1.0
95.08590	16.1
97.02847	1.1
97.06501	4.7
97.10149	6.1
98.98456	47.0
99.08083	15.6
105.07018	15.4
107.04937	4.9
107.08583	15.9
109.06497	5.3
109.10134	11.3
111.08064	3.6
116.99508	1.2
117.07024	4.9
119.08558	10.4
121.02840	1.5
121.06480	1.6
121.10128	8.1
123.08053	2.3
123.11671	2.8
125.09621	5.2
129.06992	4.5
131.08565	3.8
133.10107	8.2
135.08058	2.6
135.11667	8.7
137.09576	1.1
143.08574	2.7
145.10098	6.6
147.08022	1.7
147.11674	8.0
149.09593	1.6
149.13234	4.0
151.11162	17.4
151.12279	1.4
153.09077	5.3
153.12787	1.3
155.01024	7.1
157.10027	1.8
159.11682	2.3
161.09558	1.9
161.13271	8.9
163.11163	7.2
163.14793	1.3
163.48434	1.0
165.12737	2.9
171.11678	4.1
173.02106	9.5
173.11749	3.9
173.13167	2.0
175.14806	2.9
177.12680	1.8
179.14323	8.4
185.13306	2.8
189.11226	3.3
189.12723	1.6
191.14348	1.2
199.14706	1.1
201.89297	1.0
207.13838	1.7
209.11694	1.4
221.15375	1.7
223.13187	1.0
227.12740	6.3
229.14398	1.6
231.21031	1.9
241.19540	4.0
247.05719	5.1
249.22015	1.3
259.20535	4.7
277.21585	45.6
295.22687	2.7
305.47626	1.2
307.09509	1.6
332.03671	1.1
333.24124	1.2
351.25266	100.0
352.25577	3.2
431.21603	1.2
487.24411	3.1
491.26395	1.5
505.27499	2.3
523.29236	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	523.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
54.31374	1.0
55.01870	1.3
55.05507	12.9
56.34949	1.0
57.03429	6.1
57.07069	41.8
57.84261	1.1
58.72861	1.1
59.71961	1.0
65.91927	1.1
67.05495	25.7
69.03415	2.5
69.07059	10.7
69.69143	8.7
71.04975	3.3
71.08622	26.1
73.74957	1.1
79.05479	13.9
81.02934	2.4
81.03410	39.0
81.07045	34.5
83.04986	7.3
83.08611	23.3
85.02895	19.0
85.06538	2.0
85.10176	13.0
91.05469	17.4
93.07019	8.2
95.04960	16.2
95.08002	1.8
95.08595	27.9
97.02905	1.5
97.06519	1.6
97.10175	6.8
98.21416	1.7
105.07014	11.8
107.04943	2.9
107.08557	3.3
109.06537	2.0
109.10134	12.6
111.08089	7.7
111.11755	1.4
113.06025	1.2
115.05504	1.5
119.08569	10.8
121.10119	5.7
122.76611	1.2
123.11727	6.9
129.06982	5.1
129.51364	1.0
131.08580	5.5
133.06483	1.6
133.10115	4.4
137.13243	2.5
145.10066	1.7
147.08069	1.9
147.11623	7.9
149.09633	3.6
157.10129	7.0
165.12701	2.7
175.11191	9.2
193.12224	48.0
211.13266	54.9
213.27373	1.1
223.13472	1.1
239.23697	7.4
267.15781	6.0
307.02539	1.2
313.27383	4.3
405.07703	1.1
505.38968	1.9
512.91821	1.5
523.39911	100.0
524.40326	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	523.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69965	1.0
53.03929	2.6
55.01843	1.4
55.05503	15.3
56.60425	0.8
57.03426	7.4
57.07064	42.9
65.03922	1.4
67.05493	29.5
69.03426	1.8
69.07053	10.6
70.27536	2.6
71.04978	4.2
71.08245	1.8
71.08620	25.7
71.09015	1.3
79.05479	16.4
81.03405	34.0
81.07042	32.6
83.04968	6.8
83.08604	26.0
85.02895	19.8
85.06533	2.0
85.10165	14.3
89.79168	0.8
91.05461	20.5
93.07022	12.7
95.04948	16.7
95.05502	1.2
95.08590	29.3
97.02879	2.0
97.06550	1.8
97.10154	6.7
98.20757	0.9
99.08101	1.2
105.07004	13.0
107.04956	2.5
107.08560	4.4
109.06482	2.7
109.10136	13.1
111.08055	7.1
111.11688	1.3
113.05955	1.6
115.05447	1.4
119.08551	12.0
121.06564	0.9
121.10101	6.9
123.08047	1.3
123.11686	7.1
125.13274	1.4
129.07002	5.7
131.08537	7.6
133.06477	1.7
133.10117	6.4
137.09589	1.3
137.13245	1.8
142.07790	1.5
145.10109	1.0
147.08113	1.9
147.11668	9.9
149.09592	3.9
151.14766	1.0
157.10114	9.3
163.11264	1.0
165.12747	1.4
167.89372	0.8
175.11145	12.1
175.35797	0.9
193.12202	45.7
211.13263	50.0
214.62239	0.9
221.22607	1.3
239.23618	6.6
249.14830	1.1
257.79514	1.1
259.34402	1.0
267.15921	11.1
313.27277	7.0
348.53427	0.9
406.70319	1.0
443.45093	1.0
505.38846	3.5
523.39862	100.0
524.40265	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	523.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.01845	1.8
55.05503	19.2
57.03430	7.5
57.07067	48.6
59.79467	1.2
65.03927	1.4
66.98259	0.8
67.05495	38.0
69.03422	2.6
69.07059	15.2
69.24616	0.8
69.67341	8.1
71.04973	4.9
71.08619	37.0
79.05479	22.4
81.03404	46.5
81.07043	46.4
83.04954	8.3
83.08607	33.8
83.08989	0.6
85.02891	24.4
85.06536	1.9
85.10167	18.6
91.01953	1.0
91.05460	24.4
93.07037	15.0
95.04957	23.1
95.08592	36.3
97.02876	2.8
97.06499	3.2
97.10164	8.7
105.07013	21.1
107.04924	4.8
107.08572	5.4
109.06512	3.8
109.10133	17.8
111.04449	1.1
111.08063	9.5
111.11733	2.3
113.05979	2.3
119.08575	14.7
121.06551	1.5
121.10135	6.5
123.08047	2.6
123.11700	8.2
125.13244	1.7
129.06990	7.9
131.08551	7.8
133.06482	2.0
133.10112	8.1
137.09593	2.6
137.13245	3.1
142.07747	2.3
145.10136	1.9
147.08078	2.0
147.11662	12.6
149.09599	5.7
157.10100	10.7
165.12732	3.2
175.11174	13.8
181.00478	1.0
193.12215	54.1
211.13264	52.0
221.22661	2.5
221.34076	0.9
229.14400	1.7
239.23613	6.7
249.14781	1.2
267.15836	7.6
285.16888	1.1
313.27383	7.6
505.38620	2.9
523.39899	100.0
524.40649	5.0
526.75543	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
54.64772	1.4
55.01828	1.4
55.05503	9.6
57.03422	4.5
57.07072	30.6
57.07357	2.8
65.03909	1.4
67.05498	24.4
69.03435	1.6
69.07081	9.7
69.36119	18.1
71.05000	1.5
71.08257	1.5
71.08623	23.8
71.66210	1.1
79.05479	10.4
81.03410	30.4
81.07046	30.3
83.04979	4.8
83.08611	23.2
85.02897	16.8
85.10174	13.9
91.05468	16.7
93.07027	10.3
95.04952	9.6
95.08588	22.2
97.06515	3.3
97.10151	6.1
99.11726	1.4
101.06063	1.5
105.07020	10.0
107.04928	2.9
107.08582	3.8
109.06547	2.0
109.10156	11.1
111.08045	7.8
111.11717	1.9
119.08574	9.1
121.10135	5.2
123.11707	6.0
127.07468	1.3
129.06996	5.9
129.69275	1.4
131.08542	4.8
133.10110	7.2
137.13242	2.6
147.11684	8.0
149.09616	3.7
151.14882	1.6
157.10130	6.5
164.34312	1.3
171.34003	1.7
175.11194	10.8
193.12218	41.0
211.13280	48.5
239.23682	7.8
256.43457	1.6
267.15900	4.2
281.65332	1.7
299.84259	1.6
313.27466	4.9
447.27347	1.5
523.39868	100.0
524.40509	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01877	1.0
55.05491	2.5
57.03441	0.8
58.99575	4.2
65.03928	1.2
67.05493	4.7
69.03426	1.8
69.07057	5.1
70.02940	2.9
70.06562	1.1
70.99210	2.6
70.99572	0.9
71.04978	1.4
76.02219	11.4
76.03992	2.3
79.05469	6.6
81.03397	1.0
81.06603	1.2
81.07037	8.9
83.04981	1.4
83.06093	1.2
83.08612	1.0
84.04491	8.7
85.06509	1.0
86.00680	0.8
88.02210	1.5
91.05463	11.0
93.07027	10.6
95.04961	2.2
95.08587	6.4
97.06532	2.2
99.05565	1.8
103.05453	1.9
104.88540	0.8
105.07008	28.1
107.04935	0.9
107.08582	10.0
109.06502	1.4
109.10085	1.4
115.05446	1.8
116.01688	5.5
116.28586	0.8
117.07008	6.5
119.08564	14.5
120.08115	0.9
121.06515	1.1
121.10132	5.5
125.04221	2.9
127.03889	1.0
128.06195	9.1
129.06996	9.7
130.05016	3.8
131.08553	17.5
133.10081	5.5
135.04362	0.8
135.08022	1.0
135.11676	1.3
137.05977	1.2
141.04916	0.7
141.06960	4.2
142.03218	1.0
142.07764	19.9
143.02737	1.9
143.08540	29.5
144.01126	2.5
144.09331	4.2
145.06062	15.3
145.10088	6.5
147.11679	3.5
149.04178	1.9
151.05817	1.8
153.06679	1.3
155.08492	4.6
156.09305	10.8
157.10104	39.3
159.11661	18.9
161.13342	0.9
162.02155	6.7
163.05780	2.1
166.08638	1.7
167.08495	1.3
169.10129	3.7
170.10893	3.3
171.11670	10.1
173.13185	4.2
175.05763	1.5
175.11183	2.4
175.14825	6.8
177.03282	3.6
179.04819	10.3
181.06093	0.9
181.10097	1.1
183.11688	1.6
184.12477	2.8
185.03798	1.1
185.13290	1.1
187.05522	1.0
187.14749	1.9
189.03278	4.7
189.07358	1.8
189.12700	1.1
189.16371	1.3
190.09625	0.9
191.04790	1.4
191.08890	7.3
197.13164	1.9
199.14792	100.0
200.15245	2.0
201.07365	0.9
201.16400	1.9
215.04939	0.8
217.10500	1.2
217.15845	17.9
231.04358	4.3
231.12071	3.4
233.05838	1.8
245.13678	1.0
249.13087	7.2
257.13593	1.9
274.10364	1.2
274.16275	2.9
275.14545	1.6
292.17200	4.5
302.15936	0.8
308.09064	2.2
352.25513	1.2
377.18848	17.0
378.41330	0.8
394.54736	0.8
395.19916	18.4
431.19870	1.0
449.20963	11.8
454.78183	0.8
473.97321	0.9
506.23016	1.1
524.24060	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.6
55.05502	5.1
57.03432	7.4
58.06579	5.2
59.51748	3.3
60.04523	7.4
64.11973	3.1
67.05489	13.6
69.03420	29.3
69.04575	3.1
69.07063	7.5
71.04971	8.5
71.70681	4.9
74.06024	2.8
79.05489	3.7
80.33721	2.7
81.03378	3.8
81.07051	31.7
83.04978	3.6
83.08595	3.2
84.08119	3.5
85.02892	26.5
85.06519	7.7
87.04452	13.6
91.05459	7.2
93.07014	8.8
95.04942	3.4
95.08582	16.3
97.02869	20.9
97.06499	6.7
97.10144	5.6
98.06015	3.1
98.09649	5.5
105.07014	4.0
107.08578	8.7
109.02794	3.2
109.10150	6.2
110.09689	3.9
113.09619	4.8
115.03915	19.1
117.86041	3.2
119.04988	3.3
121.10078	3.6
123.04424	4.0
123.11691	35.0
124.07564	9.8
125.06007	3.2
127.03913	5.4
133.04948	13.5
133.10095	4.3
135.04407	5.1
135.11655	4.1
136.07492	3.1
137.05928	6.9
138.09137	4.6
145.02844	5.1
145.04935	3.7
147.04402	8.0
149.13213	3.5
151.11163	7.4
153.05431	9.3
153.12732	3.9
159.11684	3.5
163.03877	13.7
164.07021	7.1
166.08624	8.8
169.12215	36.1
176.09203	4.9
178.17735	3.2
183.06490	10.2
184.16916	8.7
187.13274	64.4
195.13853	4.0
212.16399	22.4
213.14801	6.8
228.15816	3.1
230.15240	5.7
230.17500	100.0
265.09518	4.0
327.09882	3.5
371.12030	3.4
392.22681	37.9
492.48294	3.1
524.27026	27.7
525.22412	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3704
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
50.54878	0.3
55.05500	0.9
56.04080	0.3
56.05017	1.3
57.03424	0.9
57.07062	3.7
58.06574	1.5
59.51379	0.3
60.08153	17.2
65.97914	0.2
67.05488	1.6
69.07056	0.9
70.06567	0.4
70.30753	1.3
71.07364	6.6
71.08614	2.2
73.21554	0.3
79.05466	0.3
81.03415	0.8
81.07025	1.4
83.08603	1.2
84.08935	0.3
85.02879	0.4
85.10168	1.2
86.09690	51.1
91.05469	0.6
93.06979	0.3
95.04977	0.3
95.08572	1.8
97.10120	0.6
98.98436	3.9
104.10724	100.0
105.07005	0.4
105.11047	0.4
109.10123	0.9
119.08624	0.5
124.99979	29.3
143.01047	0.5
147.16283	0.3
151.40535	0.2
155.08989	0.3
163.01544	0.8
184.07309	97.1
185.07588	0.4
193.12268	0.8
210.61996	0.3
211.13216	0.7
212.13605	0.6
258.10959	1.3
269.61179	0.3
341.30460	1.3
447.28558	0.4
497.38007	0.3
506.35971	9.0
524.36951	27.8
525.37231	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0121
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	3.1
67.14758	1.1
71.69553	1.4
71.95248	1.1
83.40289	1.0
88.89212	1.1
98.97566	24.8
116.98610	27.4
116.99394	2.0
134.99654	18.9
140.00076	1.1
153.00705	3.1
177.00909	1.4
216.98732	1.2
219.01958	1.8
234.99960	7.8
236.00011	1.5
240.98825	3.1
253.01103	1.3
258.97012	2.3
258.99808	46.9
260.00156	4.0
261.00256	2.0
261.03076	5.4
262.03265	1.6
264.98892	1.4
274.97675	5.8
276.97852	2.2
277.00848	68.5
278.01144	5.2
279.00894	2.6
282.01529	2.5
282.99930	23.9
284.00089	3.7
284.99789	2.7
292.98886	2.7
298.97925	2.1
300.02499	4.6
301.01010	38.9
302.01016	5.9
303.00906	4.1
304.00906	1.4
316.98828	7.3
318.98651	1.6
319.02167	1.8
335.00186	1.6
336.99530	1.2
359.00009	16.4
360.00357	2.5
360.99936	1.8
361.99854	1.3
362.99274	1.2
364.99194	2.8
382.91257	1.0
382.99939	15.2
399.65707	1.0
401.01074	100.0
402.01291	11.8
403.01108	3.5
419.02451	5.6
424.02597	7.6
425.01801	3.4
426.02148	1.2
427.46381	1.0
440.02325	1.4
440.98862	1.6
443.02234	4.4
444.02350	1.5
445.02249	1.6
458.99963	1.2
460.00259	1.4
483.03687	10.4
484.02924	1.3
507.00183	3.0
525.01202	71.4
526.01379	8.3
542.99084	6.5
543.98792	1.1
548.02740	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.1
55.01855	2.8
55.05507	6.1
57.03412	1.7
59.04996	1.2
65.03934	2.3
67.05492	11.0
68.99798	1.0
69.03400	2.4
69.07043	2.4
69.67941	7.1
69.68758	0.7
71.01326	1.4
71.04967	2.5
79.05485	8.3
81.03403	8.1
81.07037	8.6
83.04957	3.0
83.08601	3.1
85.02867	2.9
85.06526	1.7
91.05461	9.5
93.07024	7.0
95.04949	5.1
95.08575	4.3
97.02888	2.3
97.06523	3.0
97.10171	1.9
98.97595	0.9
99.04454	1.8
103.05478	1.0
104.23260	0.7
105.07022	5.4
107.04930	4.0
107.08581	3.4
108.02094	1.1
109.02851	1.0
109.06509	2.1
109.10148	4.8
111.04411	2.5
111.08054	1.8
117.03386	0.7
117.06997	1.6
118.04123	0.8
119.04940	1.4
119.08544	3.8
119.67340	0.8
121.06473	1.6
121.10131	3.3
123.04420	1.6
123.08023	1.2
125.06019	2.0
125.09608	2.6
127.03933	1.1
129.06940	2.3
131.04903	1.6
131.08537	3.5
133.10114	3.2
135.04395	3.4
135.08011	1.0
135.11633	1.2
136.07553	1.2
137.02290	1.0
137.05959	2.3
141.05424	1.3
145.10103	2.6
147.04404	2.7
147.11682	2.3
149.05980	3.3
149.09624	1.1
150.06752	1.5
151.03886	33.3
151.04967	2.5
153.01801	23.1
153.05432	1.6
157.10155	1.9
161.05959	1.0
163.03891	1.4
163.11195	1.7
167.06995	1.1
173.13156	1.0
175.11188	1.7
177.05492	2.3
178.02638	0.9
178.06204	6.6
179.07175	0.8
185.13150	0.8
189.11198	1.0
193.12202	4.1
195.06502	2.0
196.07303	4.2
197.05902	1.2
209.11612	1.7
211.13217	4.0
213.05420	8.3
223.13150	1.1
225.14879	0.8
227.23361	0.9
229.04948	2.6
229.12164	0.9
230.05788	2.3
241.04918	12.2
241.14268	1.1
242.05736	3.4
249.14922	1.2
253.04951	3.6
255.06485	66.9
256.07251	20.6
258.05219	8.2
269.04398	4.2
270.05228	9.4
271.05957	1.1
273.03976	0.8
273.07535	3.6
283.05981	5.6
284.03519	0.9
284.06711	17.3
285.04025	1.4
286.04626	7.2
287.05460	11.1
299.05463	55.1
300.05963	1.2
301.03378	7.7
301.07022	5.2
302.04010	4.8
305.02728	0.9
311.05405	9.2
312.06171	9.1
313.03354	2.0
313.07004	3.7
314.04120	1.6
315.04947	44.6
316.05685	6.1
328.05490	1.2
329.06503	67.5
330.07272	20.3
331.08054	53.7
343.08383	1.7
344.08777	1.9
457.25223	0.9
467.25958	1.0
485.71643	1.0
487.94080	1.0
493.27780	1.1
495.12845	4.4
507.29285	1.3
525.13806	100.0
525.29767	5.4
526.14240	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85280	3.3
53.03927	12.0
55.01867	18.7
55.05277	3.4
55.05503	49.0
57.03423	16.8
57.07053	6.8
59.04976	14.9
62.52980	3.6
63.39104	3.2
65.03920	8.2
67.05142	6.4
67.05498	100.0
69.03400	12.4
69.07058	26.1
71.01331	4.6
71.04989	42.2
71.43738	7.2
79.05022	4.8
79.05483	90.5
81.02944	5.9
81.03407	95.4
81.07045	96.8
83.04981	34.1
83.08601	40.0
84.47462	3.3
85.02881	15.2
85.06534	18.2
87.04488	5.4
91.04920	6.3
91.05467	95.7
93.07032	85.1
95.04948	52.9
95.08591	40.1
97.02875	10.3
97.06524	21.9
97.10135	23.6
99.04427	4.4
101.06046	3.4
103.05471	6.4
105.07011	61.6
107.04936	25.7
107.08582	53.9
109.02834	5.5
109.06465	18.8
109.10133	23.6
111.04404	22.2
111.08083	22.4
113.05980	4.0
115.05441	6.6
117.06989	24.2
119.04919	5.2
119.08566	54.1
121.02886	4.5
121.06473	10.2
121.10126	51.5
123.04395	13.1
123.08037	14.4
123.11697	8.0
125.05950	7.1
125.09644	22.9
125.10445	5.3
127.07509	4.0
128.06224	5.2
129.06989	24.5
131.04893	5.7
131.08559	46.0
132.05547	3.3
133.06462	9.2
133.10117	41.2
135.04416	11.9
135.08031	14.4
135.11667	17.0
137.05910	16.0
137.09616	7.6
141.06949	5.4
142.07722	6.6
143.08545	9.9
145.06442	10.0
145.10120	22.0
147.04420	7.6
147.08006	14.1
147.11656	36.9
149.05980	6.6
149.09593	46.4
151.07510	7.2
151.11105	6.8
153.09097	11.9
153.12665	8.1
155.08495	5.7
157.10146	29.4
159.11673	10.4
161.09566	6.6
161.13277	5.7
163.11198	25.8
165.12738	6.4
167.10645	8.5
169.10071	8.1
171.11581	6.2
173.09575	5.4
175.11140	29.0
177.12662	4.8
179.08530	3.7
181.12187	13.6
183.11662	5.1
185.13249	8.2
187.11124	4.9
189.11127	15.2
189.12708	7.7
191.10645	10.0
193.12219	77.7
197.15279	7.1
199.13261	8.5
203.14211	8.0
205.12204	7.9
209.11688	10.8
211.11267	9.0
211.13249	96.6
215.10582	4.3
216.04185	9.6
223.13213	7.7
225.14774	20.8
227.12683	24.1
231.13734	6.8
235.13161	7.6
236.01674	3.6
249.14839	25.4
253.14517	3.6
267.15793	12.2
283.15283	16.3
287.05609	16.2
302.87955	3.7
315.05164	6.3
336.59918	3.9
337.21371	5.1
355.22647	9.6
365.20886	9.7
373.23569	6.3
383.22208	28.9
401.23300	32.1
409.22934	3.3
415.24817	5.3
419.24271	8.8
421.25467	8.6
433.25989	16.7
439.24902	3.7
457.25662	9.9
475.26987	22.7
493.27982	28.7
507.29459	57.2
525.13660	32.2
525.30621	78.5
526.30884	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	525.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
53.26596	0.6
55.01854	3.1
55.05234	0.9
55.05502	15.8
57.03417	3.3
57.07056	1.1
65.03918	1.5
67.05495	23.6
69.07056	10.9
69.72245	3.7
69.72667	2.0
71.04964	1.8
75.04482	0.7
79.05480	16.2
81.03395	1.5
81.07042	21.8
83.04960	2.0
83.08613	7.3
85.06530	1.7
91.05466	16.9
93.07031	15.2
95.04974	2.7
95.08584	14.8
97.06530	2.2
97.10146	3.5
98.20678	0.9
99.08077	1.0
105.07015	14.9
107.04935	0.9
107.08588	7.5
107.09258	1.0
109.06503	2.3
109.10139	8.6
109.12904	0.8
111.08079	2.1
113.10753	0.8
115.05430	1.8
117.06996	9.1
119.08567	10.1
121.10138	4.1
123.08090	1.3
123.11690	1.2
125.09629	2.6
128.06186	5.0
129.05508	0.7
129.06998	14.3
131.08553	13.6
133.10129	6.3
135.11684	3.1
137.09570	1.6
139.11101	0.9
141.06966	7.2
142.07716	3.5
143.08542	17.8
144.09323	0.7
145.06480	1.5
145.10117	11.7
147.07968	0.7
147.11676	3.0
153.07004	2.7
154.07744	2.6
155.08519	17.3
155.10493	1.0
156.09258	1.8
157.10100	16.2
159.08026	1.0
159.11658	7.8
161.09584	1.1
161.13234	1.9
165.06989	2.8
166.07793	1.8
167.08527	9.2
168.09322	3.5
169.10110	20.1
169.11488	1.4
171.11662	12.4
173.09616	0.9
173.13214	3.8
178.07828	1.5
179.08546	5.0
180.09334	2.5
181.10112	15.9
182.10910	1.3
183.11662	16.7
185.13219	7.8
187.14819	2.0
189.12662	0.9
191.08476	1.1
192.09406	1.1
193.10117	6.5
193.11870	1.0
194.10979	1.2
195.11670	14.5
197.13222	10.8
199.11169	0.9
199.14883	4.1
201.16486	1.1
205.10118	2.9
206.10841	1.0
207.11658	4.2
209.13214	11.2
210.13705	0.8
211.14763	6.0
213.12827	1.7
213.16405	1.5
217.10091	0.9
219.11646	2.4
221.13179	5.9
223.14784	8.0
225.12714	1.6
225.16388	1.8
233.13307	3.3
235.14761	4.2
237.16342	2.7
239.17920	0.9
247.14864	2.1
249.16397	3.2
251.17903	1.2
261.16171	2.0
263.17963	1.9
265.16135	1.2
265.19452	1.1
267.17563	1.2
271.20596	1.4
277.19470	2.1
279.17508	1.0
285.18399	0.8
289.19217	0.9
291.21140	1.0
295.20590	2.2
297.18784	1.0
297.21976	1.9
299.20248	1.2
303.20963	1.3
307.20532	2.2
307.23807	0.8
309.22174	2.2
311.20169	1.4
313.21747	1.9
319.20309	1.0
321.22025	3.7
325.21713	2.1
327.23093	1.2
333.21930	1.7
335.23563	4.3
339.23059	2.5
347.23880	1.4
349.25385	2.3
351.23358	2.0
353.24582	1.9
361.25476	1.0
365.24911	1.5
377.24844	0.9
383.25656	0.9
393.76987	0.7
405.31601	1.5
415.29916	9.5
423.32349	1.0
433.31039	24.4
451.31992	15.1
456.14435	0.9
469.33286	4.6
471.32343	2.3
489.33585	3.8
507.34668	14.2
525.35706	100.0
526.35986	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	525.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73133	1.0
53.03926	2.8
55.01855	3.6
55.05501	15.3
55.65842	0.9
57.03424	3.1
57.07058	1.8
65.95336	0.9
67.05497	26.2
69.07058	9.8
70.38277	1.0
71.04980	2.5
77.63641	0.8
79.05483	23.7
81.03421	1.9
81.06618	0.9
81.07040	23.4
81.07482	2.0
83.04943	3.2
83.08607	7.9
85.06507	1.7
91.05461	21.7
93.07031	20.0
94.17055	1.0
95.04955	4.9
95.08589	14.2
97.06513	3.5
97.10136	2.6
98.21441	2.6
99.08056	1.6
105.07020	22.9
107.04919	1.7
107.08583	10.1
109.06480	3.2
109.10143	6.0
111.08106	1.5
115.05414	2.5
116.06228	1.0
117.06994	11.5
119.08566	16.2
121.10093	6.0
121.68382	1.4
123.07998	1.9
123.11722	1.0
125.09604	2.2
127.36322	0.9
128.06192	4.3
129.06981	12.4
131.08540	15.9
133.10123	10.9
135.11656	3.4
141.06970	7.2
142.07750	3.8
143.08546	15.2
145.10094	13.3
147.11624	6.0
149.13211	1.3
153.06992	2.0
154.07791	2.4
155.08540	18.4
156.09322	2.1
157.10112	15.0
159.08066	1.1
159.11644	8.1
161.13243	3.0
163.11140	1.8
165.07016	2.9
166.07706	1.8
167.08530	7.7
168.09285	1.6
169.10098	22.8
171.11655	11.7
173.13229	4.7
175.11116	2.1
178.07806	1.1
179.08537	3.6
180.09247	2.4
181.10089	14.0
182.10928	2.0
183.11664	18.0
185.13252	9.0
187.14813	2.6
193.10065	5.3
193.11989	1.1
194.10847	1.4
195.11694	13.0
197.13219	10.8
199.14783	7.4
205.10088	2.9
206.10863	1.3
207.11673	4.5
209.13232	10.9
211.14767	7.2
213.16467	1.3
219.11685	2.5
221.13240	4.8
222.14047	1.2
223.14822	8.3
225.16359	3.1
233.13301	3.0
235.14807	2.9
237.16350	3.5
239.17851	1.5
241.19560	1.1
247.14740	2.3
249.16420	1.5
251.17973	1.8
259.20624	2.1
261.16318	2.0
277.19345	1.3
279.17471	1.9
295.20514	2.6
297.18597	1.2
307.20471	2.6
309.22083	2.4
314.56369	1.1
321.22238	2.0
323.23700	2.3
325.21591	2.1
333.22119	1.7
335.23730	3.4
351.23178	1.9
353.24963	2.5
405.31613	1.3
415.29797	7.7
433.30972	24.2
451.31885	10.6
469.32996	4.5
471.32385	1.6
489.33780	2.2
507.34567	11.0
525.35699	100.0
526.35944	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	525.357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.7
51.74372	0.7
53.03932	2.0
53.21956	0.7
53.71750	0.7
55.01861	3.0
55.05506	18.4
57.03439	5.0
57.07061	6.1
65.03926	1.8
67.05492	27.8
69.07060	11.1
70.72633	2.5
71.04990	2.1
71.08617	5.8
75.04472	1.0
76.45601	0.9
79.05479	18.5
81.03401	2.0
81.07042	28.1
83.04959	3.4
83.08604	9.7
85.06534	2.1
91.05468	17.5
93.07030	16.9
95.04977	5.2
95.08588	21.6
97.06499	2.4
97.10154	6.2
98.98446	7.8
99.08074	1.0
105.07019	16.7
107.04957	2.1
107.08567	11.2
109.06517	2.2
109.10144	10.3
115.05448	1.7
117.07005	10.4
119.08546	12.7
121.10124	7.8
123.08080	2.4
123.11655	1.1
125.09627	2.6
125.39528	0.8
128.06216	3.2
129.06979	14.4
131.08548	13.6
133.06519	1.2
133.10117	6.7
135.08018	1.4
135.11668	4.0
137.09647	1.0
138.20029	0.8
139.11218	1.4
141.06966	7.2
141.12733	3.7
142.07756	3.4
143.08545	16.0
143.09618	1.1
144.09335	1.0
145.06474	0.9
145.10098	13.5
147.08023	0.9
147.11700	3.7
149.09572	2.0
149.13210	1.5
151.11195	0.9
153.07001	2.1
153.12743	1.8
154.07759	2.8
155.08531	19.0
155.86661	0.8
156.09392	1.3
157.10109	15.3
159.08069	3.1
159.11667	8.0
160.46739	0.9
161.09674	1.7
161.13234	1.9
163.11115	0.9
165.06990	3.1
165.20374	0.8
166.07750	2.2
167.08536	7.3
168.09308	3.1
169.10103	24.2
169.15874	2.4
171.11659	14.3
173.02026	1.4
173.09601	0.9
173.11880	1.0
173.13274	3.6
177.12788	1.0
178.07750	1.0
179.08546	4.1
180.09337	2.5
181.10100	14.4
182.10916	1.3
183.11703	18.2
183.13802	9.5
185.13258	7.1
187.14848	1.0
192.09448	1.1
193.10104	5.7
194.10905	1.7
195.11678	15.7
197.13249	11.6
199.13303	0.9
199.14792	4.5
205.10115	2.5
206.10892	1.0
207.11649	7.1
209.13196	11.4
211.14816	4.7
213.16508	1.1
219.11693	2.5
221.13225	6.0
223.14780	7.1
225.16418	3.2
229.15849	1.1
233.13246	2.4
233.22462	1.0
235.14691	4.2
235.81255	0.9
237.16386	4.0
241.15700	0.9
241.19394	1.1
247.05905	1.1
247.14882	2.3
249.16461	2.2
251.17966	1.9
251.23560	4.5
259.14792	1.1
259.20404	1.3
261.16455	1.7
263.17950	1.1
265.15765	1.1
265.19580	1.2
269.15332	1.6
271.17044	1.2
279.23218	2.8
283.20743	1.0
289.19626	1.8
291.20801	1.0
293.18988	1.8
295.20599	1.5
297.18521	1.1
299.20233	1.0
299.23495	1.5
307.20569	3.0
309.18585	1.2
309.22104	2.5
321.22092	3.9
323.20212	1.3
323.23715	2.5
325.21695	2.5
327.23093	1.6
333.22034	1.3
335.23615	5.0
339.23218	3.7
347.23599	2.1
349.25290	1.7
351.23050	2.3
353.26956	14.7
359.23309	0.8
361.24973	0.9
365.24854	2.3
373.25006	1.4
377.24646	1.5
391.26456	1.0
405.31500	2.0
415.29965	8.8
433.30969	27.8
439.50607	0.9
451.32147	16.2
469.33145	5.6
471.32336	2.8
489.33670	4.9
507.34689	14.3
525.35699	100.0
526.36169	4.2
530.08496	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03557	3.0
50.34771	2.6
53.03905	3.3
55.01864	8.0
55.05499	12.3
57.07047	4.3
59.08705	3.3
67.05495	18.9
69.03415	11.1
69.07052	27.2
69.62634	10.2
69.63062	14.2
71.04980	8.4
73.02879	3.5
79.05486	14.4
81.03413	9.2
81.07043	100.0
83.03363	3.4
83.04988	5.3
83.08610	10.6
85.02888	14.7
85.06545	17.9
91.05465	16.6
93.07030	32.1
95.04975	6.1
95.07317	3.7
95.08595	44.6
97.02891	4.5
97.06516	32.9
97.10156	6.6
99.08099	10.3
105.06973	14.3
107.04971	4.1
107.08565	18.2
109.02885	4.6
109.06506	3.8
109.10130	28.4
110.09673	4.6
111.08071	6.2
111.11703	17.7
119.08596	9.9
120.08064	3.5
121.10130	13.9
123.08026	4.7
123.11678	19.9
125.09579	5.1
129.09105	5.4
131.08583	4.5
133.10085	5.5
135.08014	3.2
135.11685	6.4
137.05957	7.8
137.13245	27.4
138.09122	5.4
139.11140	5.8
143.08485	3.9
147.04364	8.0
147.11713	4.8
149.13245	13.8
151.03845	7.1
155.14275	23.6
159.11658	4.1
161.09633	5.7
163.14819	9.6
166.08614	8.7
167.14281	3.8
172.86176	3.2
177.05501	3.6
179.26961	3.2
195.13774	7.8
201.16490	4.0
223.20702	4.0
237.14874	7.8
273.25656	6.6
291.26822	14.6
303.15942	3.6
309.27908	13.0
313.12210	3.7
321.16855	4.4
327.28879	12.4
339.17896	4.8
357.18832	4.7
361.13907	10.2
502.48724	3.1
503.44766	3.3
525.23224	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.01835	2.2
55.05500	16.7
57.07069	45.6
59.04967	1.8
65.03926	2.0
67.05495	77.7
69.07060	17.1
71.04988	56.1
71.08618	30.9
71.72278	3.0
78.84791	1.6
79.05478	19.8
81.03412	3.2
81.07048	32.0
83.04965	8.3
83.08601	16.4
85.06499	2.9
85.10168	20.7
91.05468	25.1
93.07037	19.7
94.72825	1.7
95.04961	5.1
95.08598	39.2
97.06512	6.0
97.10168	7.2
104.67112	1.8
105.07011	2.5
107.08573	10.8
109.10148	62.2
111.08033	1.9
117.07008	4.2
119.08563	19.0
121.09224	1.4
121.10136	6.7
123.11695	5.9
126.36939	2.0
135.11693	20.6
137.09583	24.2
145.10121	6.7
155.10641	6.9
163.11160	5.9
169.12228	7.3
173.11818	3.1
181.12210	6.9
190.59279	1.6
221.22734	2.3
229.61958	2.0
239.23589	8.6
255.16016	2.1
271.15430	4.5
339.28958	3.3
341.26953	4.0
481.38760	37.5
525.41455	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.05491	1.5
56.54493	0.8
57.03405	1.5
59.04986	2.2
60.04489	1.1
61.02939	1.0
63.49440	0.8
67.05484	3.2
69.03424	6.1
70.06608	0.8
71.04967	1.2
71.69930	1.2
71.70274	1.4
75.04451	1.1
79.05473	11.7
81.03389	3.2
81.07041	24.7
83.04961	1.4
85.02894	13.2
91.03943	1.2
91.05473	4.3
93.07025	26.7
95.04959	2.4
95.08591	14.0
97.02868	4.3
97.06531	2.1
99.04418	1.5
99.59261	0.8
100.70123	0.9
103.05438	1.1
105.07007	8.3
107.08575	9.8
109.02879	2.5
109.06520	1.4
111.04401	0.9
119.08561	3.4
121.06477	1.8
121.10126	100.0
122.10426	1.5
123.08071	2.0
123.11682	19.9
123.12519	1.6
125.05956	3.5
126.86461	0.8
127.03891	4.1
131.08530	2.2
135.11687	2.3
139.11169	12.4
145.04938	4.4
147.04359	1.4
147.08038	1.0
149.09610	11.2
163.03854	1.2
167.10657	64.2
177.05409	2.7
185.11737	4.4
258.44177	1.0
271.05856	1.2
293.13757	2.2
311.14951	9.3
329.16104	1.9
338.06503	1.2
350.23831	1.1
364.15695	1.3
540.73285	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.05491	1.5
56.54493	0.8
57.03405	1.5
59.04986	2.2
60.04489	1.1
61.02939	1.0
63.49440	0.8
67.05484	3.2
69.03424	6.1
70.06608	0.8
71.04967	1.2
71.69930	1.2
71.70274	1.4
75.04451	1.1
79.05473	11.7
81.03389	3.2
81.07041	24.7
83.04961	1.4
85.02894	13.2
91.03943	1.2
91.05473	4.3
93.07025	26.7
95.04959	2.4
95.08591	14.0
97.02868	4.3
97.06531	2.1
99.04418	1.5
99.59261	0.8
100.70123	0.9
103.05438	1.1
105.07007	8.3
107.08575	9.8
109.02879	2.5
109.06520	1.4
111.04401	0.9
119.08561	3.4
121.06477	1.8
121.10126	100.0
122.10426	1.5
123.08071	2.0
123.11682	19.9
123.12519	1.6
125.05956	3.5
126.86461	0.8
127.03891	4.1
131.08530	2.2
135.11687	2.3
139.11169	12.4
145.04938	4.4
147.04359	1.4
147.08038	1.0
149.09610	11.2
163.03854	1.2
167.10657	64.2
177.05409	2.7
185.11737	4.4
258.44177	1.0
271.05856	1.2
293.13757	2.2
311.14951	9.3
329.16104	1.9
338.06503	1.2
350.23831	1.1
364.15695	1.3
540.73285	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.01872	7.7
55.05504	14.3
57.03427	8.4
57.07067	0.7
57.43219	0.7
59.04976	2.4
60.06234	0.7
65.03912	0.7
67.05496	10.6
67.58021	0.8
69.03391	1.3
69.07062	4.0
69.68675	4.0
69.69092	1.7
71.01331	1.0
71.04968	2.1
79.05482	15.6
80.16469	0.7
81.03401	9.0
81.06600	1.2
81.07040	15.9
82.65936	0.7
83.01326	8.5
83.04968	8.5
83.08613	9.1
85.02879	2.7
85.06515	1.1
91.05471	13.2
93.07032	17.9
95.04948	5.7
95.08612	6.6
97.02876	1.5
97.06507	4.0
97.10146	1.7
97.63318	0.8
99.04449	1.8
105.07028	8.4
107.04938	5.8
107.08583	9.4
109.06495	6.0
109.10114	2.9
111.04443	1.6
111.08041	2.0
116.32467	0.7
117.07006	7.1
119.08582	8.0
121.06487	2.3
121.10104	5.4
123.08054	6.7
125.05980	1.4
125.09608	1.2
129.06976	2.4
130.07745	1.6
131.08548	4.1
133.10106	3.0
135.08035	2.2
135.11668	9.6
137.09586	1.2
143.08540	2.3
145.10104	13.3
147.08052	2.1
153.12694	2.0
155.08513	2.5
157.10110	1.8
159.11630	1.1
163.11166	21.1
169.10120	1.6
171.11665	1.2
173.09607	2.4
177.17540	0.7
181.12250	3.4
183.11652	2.0
185.13307	1.0
191.10721	2.5
209.11671	7.3
209.13303	0.9
227.12769	4.0
283.15372	100.0
284.15735	1.1
434.31195	1.4
491.26352	30.5
508.35446	1.2
526.36353	6.1
527.37329	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	527.1544
Annotation	Salcolin B
Peak:m/z	Relative Intensity
55.05471	0.4
57.03392	0.2
57.26892	0.2
61.02896	0.2
65.93494	0.2
67.05460	0.5
69.07033	0.3
70.74828	0.6
79.05461	0.4
81.03366	0.3
81.06993	0.6
83.04932	0.1
83.08607	0.2
85.02875	0.3
85.65468	0.1
91.05471	0.8
91.99185	0.2
93.06981	0.5
95.04903	0.2
95.08556	0.4
97.06476	0.4
105.07008	0.4
107.04927	0.2
107.08558	0.4
109.10146	0.2
116.04718	0.1
119.04910	0.2
119.08543	0.3
121.10085	0.2
123.08002	0.2
125.05841	0.2
129.37906	0.2
131.08522	0.3
133.10066	0.3
135.11642	0.2
137.02322	0.2
143.08562	0.3
145.10063	0.4
147.04332	0.6
153.01807	1.1
154.02530	0.6
157.09996	0.2
159.11592	0.2
161.13245	0.2
163.03825	0.2
175.05911	0.2
177.05399	0.2
178.02678	0.7
179.06931	0.2
213.05507	0.2
241.04898	0.3
242.05722	2.9
253.04951	0.3
255.02882	0.2
257.26920	0.2
258.05188	3.4
259.05603	0.2
269.04370	0.5
270.05185	10.3
271.05698	0.4
273.03903	1.9
285.03839	0.6
286.04675	1.5
287.05453	5.7
288.05835	0.2
298.04681	0.4
299.05450	1.3
301.03384	2.5
302.04190	3.6
313.03412	1.5
315.04941	44.9
316.05679	5.1
323.18588	0.2
329.06558	0.4
331.08063	100.0
332.08383	1.5
332.11908	0.2
410.71811	0.2
527.15448	6.1
527.32037	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.05502	0.2
56.77952	0.2
57.03427	0.5
61.02929	0.3
67.05489	0.9
69.03422	0.4
79.05479	0.6
81.03395	0.4
81.07040	0.5
83.04979	0.3
85.02883	0.4
91.05461	0.8
91.07053	0.2
93.07020	0.7
95.04941	1.1
95.08595	0.4
97.02866	0.3
97.06537	0.3
98.21448	0.6
105.07024	0.5
107.04963	0.3
107.08585	0.3
109.06485	1.1
109.10149	0.5
111.04387	0.2
113.05980	0.6
119.08560	0.4
121.10123	0.4
127.03966	0.2
131.08551	0.3
135.08022	0.6
137.05930	0.2
143.08525	0.3
145.52766	0.2
147.04367	0.5
147.07982	0.2
153.01820	1.1
159.11673	0.2
161.09683	0.2
163.11151	0.2
178.02635	0.4
192.46629	0.2
193.12193	0.3
203.03387	0.3
212.74057	0.2
213.05612	0.3
214.06325	0.3
241.05013	0.3
242.05701	2.9
245.04417	0.3
248.06984	0.2
258.05188	3.0
269.04361	0.6
270.05173	9.2
271.05746	0.3
273.03818	1.5
273.18436	0.6
285.03864	0.7
286.04648	1.7
287.05444	5.4
291.19427	0.8
298.04669	0.3
299.05466	1.0
301.03366	2.7
302.04120	3.5
313.03317	2.0
315.04926	43.7
316.05685	5.1
319.03336	0.3
329.06223	0.3
331.08051	100.0
332.08353	1.6
356.76349	0.2
365.23218	0.4
408.82306	0.2
416.62866	0.2
527.15521	1.6
527.28601	0.3
540.23975	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	527.2636
Annotation	Kosamol A
Peak:m/z	Relative Intensity
53.03938	9.1
55.01860	22.2
55.05489	9.3
57.03446	4.3
59.04993	3.4
60.53312	2.9
65.03922	3.7
67.05489	14.0
69.03424	24.5
69.07061	11.8
71.04965	5.7
79.05029	5.3
79.05485	100.0
81.03436	6.2
81.07046	91.5
83.04974	8.6
85.02895	9.3
85.06505	5.8
91.05461	30.3
93.07030	24.2
95.04464	3.1
95.04956	19.3
95.08601	9.7
97.02880	7.3
97.06504	33.3
99.04507	3.6
103.05484	3.6
105.07009	59.1
107.04939	14.3
107.08585	18.1
109.02902	4.5
109.06514	6.2
109.10160	5.9
111.08086	4.1
113.05997	3.5
115.05441	6.1
117.07001	10.5
119.04951	12.5
119.08574	21.4
121.06494	11.0
121.10147	5.8
123.08040	9.6
123.11716	3.8
125.05971	40.1
128.06210	6.3
129.07002	10.6
131.08586	11.1
133.06506	16.1
133.10124	43.4
135.04427	3.9
135.08035	9.0
135.11644	5.2
137.05962	5.7
137.09645	5.3
141.06947	4.0
143.08557	22.4
145.06490	13.8
145.10107	14.1
146.07236	3.9
147.04387	22.7
147.08049	11.6
147.11742	3.7
151.07570	3.6
151.11174	4.2
155.08588	6.7
157.10115	8.6
158.07292	4.4
159.08032	15.6
159.11595	7.0
161.06001	6.4
161.09578	56.8
163.03815	8.0
163.07564	4.4
165.09099	3.5
169.10135	6.2
171.08029	13.5
173.09587	44.2
175.07492	5.2
175.11220	9.9
177.05498	3.9
179.08504	4.7
179.10651	16.8
180.09308	4.0
181.06451	5.2
181.10138	4.1
183.08043	7.3
183.11644	7.6
185.09595	21.5
185.13222	4.2
187.07558	5.7
187.11221	7.3
189.09055	17.8
189.12709	4.2
191.08627	5.0
193.10204	5.5
195.08032	9.6
195.11728	5.5
196.08942	5.9
197.09593	14.3
198.10361	3.4
199.07469	7.9
199.11198	19.5
201.09143	7.6
201.12743	4.6
203.08932	3.7
203.10565	16.8
207.10092	7.6
209.09651	12.7
209.13345	4.1
210.10400	9.7
211.11174	13.6
211.14778	8.1
212.11993	5.5
213.09142	5.0
213.12711	25.6
215.10698	9.5
219.11668	3.9
221.13330	4.8
222.10393	4.8
223.07419	4.2
223.11218	7.3
224.11955	8.2
225.09056	3.6
225.12747	14.8
227.10736	9.3
227.14308	16.3
229.12180	10.9
235.11064	4.2
237.12750	20.7
239.10652	6.0
239.14258	48.6
241.12158	9.6
243.13777	17.0
245.11623	6.2
246.10344	4.1
249.12703	6.1
251.10690	5.6
253.12140	6.7
255.13759	37.3
257.15390	16.5
259.13257	11.0
263.14474	3.7
265.12360	7.2
267.13831	5.9
269.11691	7.1
275.14154	4.7
276.15009	3.7
277.15878	11.9
281.15353	3.8
285.15021	4.2
287.14313	4.2
288.11349	3.7
288.15005	4.5
291.17328	7.9
293.15408	5.9
302.16699	5.1
303.16016	15.1
305.15335	5.0
309.18423	11.3
315.12097	7.6
319.17041	5.4
320.17618	6.5
321.18396	21.8
337.17886	7.1
338.18701	4.4
339.19846	4.3
355.19141	5.8
361.17877	6.6
379.18839	22.7
379.89526	4.0
385.20096	46.8
409.20947	4.2
415.22507	5.3
417.23932	6.3
427.22513	13.3
433.23932	4.6
445.23651	36.8
463.24857	23.3
473.23026	7.3
481.25430	4.0
491.24390	9.1
509.25385	43.4
527.17859	5.3
527.25488	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	527.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.4
55.01863	12.3
55.05239	2.6
55.05507	45.2
57.03430	21.3
57.07060	2.6
59.04978	4.0
61.02924	16.1
64.53613	1.6
65.03945	3.3
67.05497	64.5
69.03427	24.9
69.07061	32.3
69.76987	10.9
70.02550	1.9
71.01335	2.9
71.04984	10.9
73.02898	8.2
75.06236	2.1
79.05488	42.3
81.03406	39.0
81.07045	50.2
83.01334	3.4
83.04967	16.4
83.08599	18.2
85.02898	34.2
85.06535	4.1
86.09743	2.5
87.04446	2.1
91.03951	6.3
91.05469	34.3
93.07028	34.1
95.04951	13.7
95.08595	18.8
97.02888	29.7
97.06532	9.8
97.10149	28.9
99.04449	6.8
99.08109	2.4
101.02383	5.4
103.03960	4.0
105.07005	22.9
107.04956	14.0
107.08585	28.7
109.02870	11.9
109.06506	7.2
109.10140	35.9
111.04444	5.4
111.08056	7.8
113.05975	1.9
115.03953	3.4
115.05457	4.5
117.07014	12.2
119.08564	24.0
121.06487	6.2
121.10140	12.0
123.08049	10.3
123.11713	2.0
125.06025	2.5
125.09625	25.6
127.03864	12.5
128.06197	3.6
129.05482	3.9
129.07030	7.2
130.28026	1.8
131.08543	15.3
133.06503	4.4
133.09273	1.7
133.10138	11.0
133.11046	1.6
135.08054	7.9
135.11661	7.5
137.09549	4.8
139.07474	2.0
143.08557	6.4
145.04910	2.4
145.10092	17.8
147.08052	8.1
147.11691	7.2
149.09622	4.5
149.13252	3.2
151.07504	3.0
153.09138	2.9
153.12753	3.2
153.53522	1.9
155.08568	2.9
157.10126	7.5
159.11691	6.9
161.09608	6.2
163.11188	11.3
165.09171	2.4
165.12648	2.0
171.11638	3.1
173.11743	9.2
173.13179	3.3
175.11180	4.5
181.12285	3.6
183.06512	4.3
183.11697	2.3
185.13173	2.7
187.11237	2.3
189.11220	14.0
189.12730	3.2
193.12178	9.4
194.70778	1.9
199.11153	3.6
201.16536	2.6
205.12215	2.1
209.11674	4.0
211.13297	7.6
223.13263	21.2
227.12764	5.8
229.14355	8.9
231.11588	1.9
235.13153	1.8
245.19193	2.2
249.14891	5.1
253.14627	2.3
267.15891	2.9
273.18500	20.8
273.39560	1.8
283.15399	7.1
284.15823	5.4
285.16983	2.1
290.19043	2.1
291.19510	100.0
292.19937	2.6
347.22153	6.7
365.23236	28.5
376.94601	1.9
407.24335	2.2
435.23853	2.2
491.26175	2.4
492.26535	4.8
509.27261	4.8
526.97278	1.9
527.27960	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99633	0.6
53.03925	1.7
55.01865	1.7
55.05506	12.2
57.03425	3.3
57.07057	0.9
65.03922	1.1
67.05495	23.3
68.05836	0.7
69.07059	12.1
69.78658	1.4
69.79079	2.8
71.04977	1.8
79.05484	15.3
80.05826	0.6
81.03403	0.9
81.07047	22.3
81.07539	1.2
82.13547	0.6
83.04975	2.5
83.08604	6.6
85.06532	1.7
91.05466	17.0
93.07034	17.0
95.04946	3.6
95.08596	13.6
96.08936	0.6
97.06513	2.9
97.10152	2.7
99.08092	0.7
103.05479	0.7
105.07014	16.8
106.07415	0.7
107.04987	0.7
107.08587	9.9
109.06546	1.3
109.10130	5.9
111.08046	1.5
115.05444	1.9
117.07008	11.4
119.08570	13.5
121.06478	0.9
121.10136	6.8
123.08086	1.3
123.11678	1.7
125.09570	1.2
125.44579	0.6
128.06197	4.3
129.06998	11.8
130.07802	0.6
130.60356	0.6
131.08554	16.4
133.10127	9.0
135.08075	0.8
135.11638	3.1
141.06963	4.3
142.07745	3.0
143.08551	15.9
143.09636	1.2
144.09424	0.9
145.06543	0.8
145.10101	14.9
146.10519	0.6
147.11656	4.5
149.09589	1.3
149.13254	2.2
153.06940	0.8
154.07762	1.8
155.08537	10.1
156.09296	1.9
157.10109	14.2
159.11678	10.0
161.13240	2.2
163.11116	0.8
165.07025	1.0
166.07719	0.9
167.08582	4.0
168.09296	0.8
168.93791	0.6
169.10115	12.9
169.99725	0.7
171.08008	0.8
171.11655	11.2
171.13066	1.0
173.13261	6.6
175.14835	1.1
179.08546	1.4
181.10077	5.0
182.10840	0.7
183.11674	10.3
185.13234	8.1
187.11111	0.9
187.14793	2.2
193.10133	1.4
195.11673	4.6
197.13249	7.8
198.13799	0.9
199.14803	4.7
201.16423	1.1
207.11685	2.0
209.13235	5.2
211.14836	5.2
213.12694	0.8
213.16379	2.6
219.11681	0.8
221.13264	2.6
223.14806	3.5
225.16341	2.3
227.18054	0.9
235.14879	1.6
237.16367	2.5
239.17972	0.8
241.17720	0.7
249.16373	1.3
251.17969	1.3
253.15779	0.7
255.17430	0.8
259.20605	1.8
267.21078	0.7
269.18781	0.8
281.19135	0.7
281.22656	0.7
283.20663	1.9
287.20181	0.9
291.20871	0.9
293.22415	0.9
295.20462	1.5
297.22095	2.4
299.19980	0.9
309.22073	1.6
311.23663	1.6
313.21655	0.7
315.23157	0.9
321.22128	0.7
323.23697	2.0
325.21310	0.8
325.25040	0.8
327.23264	1.5
337.25217	0.8
339.23044	1.3
341.24698	1.4
349.25302	1.0
353.24826	1.3
355.26025	0.9
365.24844	1.0
367.26221	1.0
407.33200	1.3
417.31479	7.9
425.33514	0.8
435.32550	20.6
453.33630	9.2
471.34714	2.3
473.34378	1.7
491.35120	2.6
509.36169	10.4
527.37238	100.0
528.37494	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	527.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.8
55.01856	2.0
55.05503	12.9
57.03028	0.5
57.03433	4.5
57.07052	2.1
59.31339	0.6
60.90258	0.6
65.03930	1.0
67.05495	24.4
67.48245	0.6
69.07056	10.9
71.04974	1.1
71.08624	1.1
79.05481	18.2
81.03397	0.6
81.07043	24.8
83.04949	1.9
83.08611	6.5
84.70014	0.7
85.06511	1.3
91.05468	18.9
91.06036	0.9
93.07030	18.6
95.04952	2.8
95.08593	15.4
97.06510	2.9
97.10178	3.7
97.10717	0.6
99.08116	0.8
105.07011	19.2
107.08575	10.3
109.06510	2.0
109.10133	6.9
109.83228	0.6
111.08076	1.7
115.05443	1.2
117.07001	11.8
119.08563	12.7
121.06497	0.7
121.10123	6.4
123.08051	1.2
123.11685	1.2
125.09624	2.0
128.06175	3.8
129.06990	12.7
130.07806	0.9
131.08546	18.3
133.10114	10.5
135.08015	1.6
135.11681	2.8
139.11101	0.7
141.06990	4.4
142.07771	3.5
143.08539	16.7
145.06465	0.8
145.10091	15.0
145.11224	1.1
147.08083	1.0
147.11661	4.7
149.09598	1.0
149.13232	1.7
151.11140	1.5
153.06979	1.8
154.07777	0.8
155.08524	10.5
156.09320	1.6
157.10092	16.0
159.11673	11.9
161.09517	0.6
161.13228	1.9
163.11137	0.7
163.14841	0.7
165.06972	1.1
167.08490	4.9
168.09279	1.4
169.10098	11.7
170.10820	1.0
171.11670	14.7
173.13222	7.5
175.11140	0.8
175.14803	1.2
177.12654	0.7
179.08551	2.2
181.10077	5.3
182.10802	1.0
183.11667	10.8
185.13243	8.0
187.11034	0.8
187.14787	3.2
193.10077	1.5
195.11684	5.4
197.13223	8.6
199.11122	0.7
199.14786	6.6
201.16356	1.2
207.11703	2.4
209.13254	4.5
211.14780	6.6
213.16397	2.2
215.14510	0.7
221.13307	1.6
223.14841	3.6
225.16417	3.3
235.14792	2.3
237.16364	2.0
239.18036	1.2
241.19635	1.1
249.16434	1.0
251.17976	1.6
255.17268	0.7
257.19049	0.7
259.20401	1.4
264.84842	0.6
265.19528	1.2
267.20868	0.7
269.18744	0.9
271.20685	1.0
273.18600	0.8
283.20453	1.9
285.18726	0.9
287.20062	1.1
295.20438	0.7
297.22147	1.8
307.24124	0.8
309.22171	1.1
311.23819	1.3
313.21509	1.5
315.23181	2.5
321.22156	1.1
323.23697	2.2
327.23105	1.3
329.24469	0.9
335.23349	1.4
337.25375	2.0
339.23166	1.0
341.24850	1.2
347.23679	1.2
349.25211	1.2
353.24680	1.7
407.33282	1.3
417.31458	6.3
425.33990	0.9
435.32513	18.6
435.38129	1.2
436.33005	0.8
453.33630	7.8
471.34573	2.8
473.34149	1.5
491.35278	2.2
509.36203	9.9
527.37256	100.0
528.37628	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06430	0.8
53.03934	1.2
55.05503	12.6
57.03412	3.2
57.07059	2.1
63.18924	1.0
63.38273	0.9
65.03925	1.7
67.05492	25.4
69.07052	13.1
69.64877	3.1
69.65305	4.2
71.04982	2.2
79.05479	16.7
81.03452	1.6
81.07038	23.5
81.32247	0.9
83.04966	1.6
83.08611	6.7
85.06532	2.6
91.05464	19.0
93.06432	1.0
93.07024	20.1
95.04935	2.1
95.08585	16.8
97.06513	2.3
97.10147	3.4
98.20655	1.8
105.07017	17.4
107.08573	10.0
109.10129	7.6
111.08099	1.4
111.14587	1.0
115.05459	1.6
117.06993	13.5
119.08555	12.3
121.06470	1.0
121.10139	7.0
123.08033	1.2
123.11705	2.1
125.09599	2.2
127.07519	1.0
128.06212	3.7
129.06973	13.8
130.07721	1.7
131.08549	20.1
131.09557	1.0
133.10097	9.1
135.08041	0.9
135.11671	3.9
141.06924	4.5
142.07761	3.7
143.08536	18.3
145.10086	15.4
147.11635	5.7
149.09499	1.0
149.13245	3.0
153.07100	1.2
155.08548	11.8
156.09326	2.6
157.10107	18.6
159.11674	12.1
161.13272	1.8
167.08525	5.0
168.09352	1.5
169.10097	14.3
170.10928	1.3
171.11668	15.8
173.13226	6.8
176.27116	1.1
179.08559	1.1
181.10016	5.7
183.11655	12.7
185.13184	9.6
187.14780	3.1
193.10124	2.2
195.11690	6.5
197.13229	10.8
199.14833	5.8
201.16333	1.1
203.14258	1.0
207.11658	2.7
209.13234	5.0
211.14835	5.3
213.16350	2.4
221.13287	2.4
223.14751	4.3
225.16347	2.8
227.17976	1.8
235.14861	1.7
237.16428	2.0
239.17819	1.5
249.16377	2.3
251.18033	1.7
257.19153	1.2
265.19550	1.0
283.20639	1.4
295.20547	1.3
297.22015	1.2
309.21939	2.0
311.23706	2.3
313.21841	1.3
315.23135	1.2
323.23743	2.4
325.21490	1.0
325.25241	1.0
327.23312	1.3
337.25189	2.2
365.24542	1.2
367.26477	1.5
407.33267	1.2
417.31509	4.7
435.32590	18.6
436.33109	1.9
453.33585	8.7
471.34653	3.8
473.34146	2.0
491.34821	2.3
509.36075	9.2
527.37250	100.0
528.37866	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	527.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.3
55.01851	2.2
55.05503	13.7
56.19534	0.8
57.03421	3.2
57.07076	2.3
65.03938	1.5
65.92742	0.9
67.05496	29.1
69.07066	10.9
70.18348	4.1
71.04996	2.2
71.83784	0.8
79.05481	18.3
81.03362	1.3
81.06601	1.7
81.07047	21.3
82.88094	0.9
83.04958	2.5
83.08617	5.0
89.46387	0.9
91.05461	16.6
92.47682	0.9
93.06440	1.0
93.07026	18.4
95.04955	2.2
95.08591	16.7
97.06526	1.9
97.10172	2.7
105.07013	18.3
107.08572	9.3
109.06434	1.0
109.10129	6.7
111.08046	0.8
115.05426	2.2
117.07005	9.4
119.08554	14.4
121.10126	8.5
123.08068	2.2
123.11697	1.4
125.09630	1.8
128.06198	1.8
129.06996	13.8
131.08554	18.4
133.10117	7.7
135.08041	1.4
135.11687	3.3
141.06926	5.2
142.07767	3.6
143.08539	17.6
145.10107	15.3
147.11670	6.0
149.09593	1.2
149.13254	2.1
153.06921	1.1
154.07799	1.0
155.08545	11.9
156.09328	1.5
157.10100	16.9
159.11661	12.8
161.13264	1.7
163.11049	1.2
165.06927	1.2
167.08592	3.2
168.09329	1.3
169.10127	12.8
171.11674	14.5
173.13264	7.6
175.11198	0.9
175.14838	1.6
179.08423	1.3
181.10147	6.3
183.11649	11.7
185.13234	7.1
187.14845	3.4
193.10121	2.2
195.11691	5.9
197.13213	8.4
199.14767	5.6
201.16290	1.5
207.11676	1.4
209.13222	5.1
211.14833	5.4
213.16348	3.7
221.13165	1.9
223.14798	3.8
225.16350	2.5
227.17953	1.4
235.14876	1.8
237.16409	2.1
239.17839	1.4
241.19594	1.0
249.16435	1.3
259.20517	1.9
263.17819	1.2
283.20609	1.8
295.20477	1.1
297.21991	1.7
301.21387	1.1
309.22086	1.6
311.23840	1.9
323.23697	2.7
325.25272	1.4
327.23285	1.0
335.23740	1.5
337.25354	1.9
342.07108	0.9
342.25357	0.9
379.26199	1.8
407.33099	1.4
417.31647	5.9
435.32578	18.5
453.33737	8.2
471.34604	3.7
473.34244	1.8
491.35184	1.8
509.36215	10.2
527.37231	100.0
528.37433	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	527.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91281	0.8
52.52651	0.8
53.03934	1.6
55.01865	1.7
55.05504	15.9
57.03418	3.4
57.07063	1.7
65.03934	1.5
67.05499	24.3
69.07059	12.1
70.97107	0.7
71.04977	1.5
71.07444	1.8
79.05482	17.9
81.03400	1.0
81.07047	25.7
83.04974	3.3
83.08606	5.9
85.06533	1.7
91.05470	19.0
93.07030	18.2
95.04972	3.2
95.08597	17.4
97.06520	2.2
97.10152	3.7
99.08115	1.0
103.05480	1.0
105.07015	17.9
107.04931	0.9
107.08582	11.8
107.13364	0.7
109.06493	1.4
109.10136	6.7
111.08081	2.8
115.05436	2.5
117.06994	12.1
119.08571	12.7
121.06480	1.0
121.10143	6.8
123.11700	1.6
125.09633	1.6
128.06245	3.9
129.06987	14.0
131.08556	20.5
133.10107	9.7
135.08060	0.9
135.11667	4.2
141.06967	4.8
142.07745	2.4
143.08542	18.4
144.09192	0.8
145.10106	17.6
147.11673	4.7
149.13145	1.7
154.07802	1.9
155.08534	11.8
156.09294	2.4
157.10104	14.8
159.07980	0.9
159.11667	13.9
161.13272	2.2
163.11186	1.1
165.07040	1.4
167.08591	3.1
168.09286	1.1
169.10115	13.9
171.11673	13.4
173.09659	1.0
173.13268	6.7
175.11166	1.2
181.10100	6.0
182.10918	1.0
183.11682	13.3
185.09702	0.9
185.11734	1.3
185.13255	8.8
187.11273	0.8
187.14850	2.9
193.10081	1.3
195.11702	5.8
197.13216	8.4
199.14812	4.8
201.16406	1.5
207.11696	2.6
209.13271	3.8
211.14845	4.3
213.16449	3.1
219.11707	1.4
221.13281	2.7
223.14711	4.0
225.16444	2.1
235.14865	1.9
237.16406	2.8
239.18095	1.6
241.19650	1.3
251.17978	1.5
255.17334	1.6
257.19205	1.2
259.20688	1.1
269.19122	1.4
277.19641	0.9
279.21307	0.9
283.20529	2.1
285.18918	1.1
293.22327	0.9
295.20544	1.4
297.22113	1.5
299.19928	0.9
301.21732	1.2
309.21838	1.1
311.23450	1.3
315.23383	1.0
321.21826	1.1
323.23740	1.9
327.23291	1.4
335.23578	0.9
337.25131	1.9
341.24582	1.8
353.24747	1.2
355.26239	1.2
361.24802	0.9
367.26074	0.9
407.33206	1.2
417.31531	7.8
435.32562	18.5
453.33691	10.3
471.34711	3.0
473.34061	2.2
491.35184	2.5
509.36295	11.0
527.37274	100.0
528.37732	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01861	3.6
55.05506	20.1
57.03432	6.4
57.07065	2.1
59.05014	1.0
65.03939	1.4
67.05134	1.7
67.05495	31.2
69.03414	1.5
69.07055	13.8
69.77158	1.7
69.77572	4.7
71.04977	2.4
71.31927	0.9
79.05480	24.5
81.03406	3.5
81.07042	28.0
83.01340	1.3
83.04955	4.4
83.08610	9.7
85.02871	1.9
85.06529	1.5
88.99527	0.7
91.05464	22.6
93.07033	24.2
94.07366	1.5
95.04968	3.7
95.08593	21.4
97.06517	3.8
97.10146	4.6
98.20705	1.8
99.19316	0.9
103.36320	0.9
105.07013	22.1
106.07359	1.1
107.04945	2.8
107.08582	13.8
108.08899	1.0
109.06516	2.8
109.10133	10.3
111.08076	1.9
115.05472	2.4
117.07005	13.8
119.08566	17.3
121.06518	1.7
121.10098	9.1
123.08043	3.3
123.11684	2.8
125.09621	2.0
128.06221	3.8
129.06993	15.2
130.07761	1.4
131.08554	18.4
131.09454	1.6
132.08864	1.0
133.10103	11.2
135.08015	0.9
135.11650	6.2
137.09587	1.3
141.06967	4.1
142.07788	3.8
143.08540	21.5
144.09364	1.2
145.10104	20.6
146.10490	1.9
147.11667	5.1
149.09631	1.6
149.13242	1.7
153.07077	1.1
154.07678	1.1
155.08531	13.4
156.09270	2.0
157.10118	16.3
159.11670	13.5
161.13246	2.6
163.11150	5.4
164.11539	2.3
167.08511	4.1
169.10109	11.2
171.11652	14.3
173.11841	1.7
173.13274	7.1
175.11147	1.8
179.08617	1.5
181.10062	6.3
182.10909	1.2
183.11667	11.4
184.12105	1.0
185.13245	9.4
187.14847	3.3
193.10120	1.2
195.11772	4.2
197.13216	8.3
199.14786	5.2
201.16261	1.5
207.11708	2.5
209.11609	1.4
209.13297	4.3
210.11940	1.4
211.14764	6.0
213.16403	2.1
221.13219	2.0
223.14865	3.7
225.16422	2.8
235.14748	2.5
237.16394	2.8
239.18063	1.7
241.16019	1.1
241.19580	1.2
249.16315	0.9
251.17987	1.2
257.19153	1.0
259.20547	1.2
265.19492	1.4
267.21069	1.0
283.15369	12.9
283.20529	1.5
284.15729	14.4
297.22223	2.8
309.22186	1.1
311.23642	1.5
315.23288	2.2
323.23691	2.1
325.21677	1.1
337.25272	1.5
355.12958	1.0
355.26471	1.2
417.31448	6.6
435.32574	20.9
436.32739	1.3
453.33545	9.7
471.34592	3.9
473.33664	2.1
491.35211	3.2
492.26605	7.2
509.36249	9.8
525.89673	0.9
527.37286	100.0
528.37317	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	528.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.9
57.03434	4.8
57.07066	4.7
61.02921	4.9
67.05502	16.3
69.03433	9.4
69.07066	22.5
70.06577	7.2
71.04066	2.7
71.04979	6.9
71.70441	5.6
73.02927	3.2
79.05490	3.8
80.88961	2.7
81.03419	4.5
81.07049	41.1
83.08598	11.6
85.02891	34.0
85.06535	100.0
86.06898	3.0
86.09720	4.4
87.04470	3.2
91.05477	5.3
93.07040	5.3
95.04944	3.1
95.08598	86.5
97.02894	9.3
99.08103	6.0
109.02876	8.3
109.10150	25.5
121.10125	3.1
122.23181	2.8
123.11695	6.7
125.13260	11.4
127.03889	6.3
133.10069	3.8
145.04939	5.5
149.41599	3.0
151.14777	15.4
163.98187	2.9
169.15863	91.0
176.47672	3.3
177.05455	4.5
187.16913	90.6
191.08159	12.9
208.36095	2.9
271.06143	2.9
307.12903	13.4
350.13477	15.8
443.33383	4.0
512.18591	18.0
528.24164	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	528.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.8
55.01870	15.4
55.05503	29.7
57.03204	2.3
57.03432	23.4
57.07065	2.4
59.04996	4.6
67.05498	37.1
69.03410	5.0
69.07066	11.3
71.04971	7.8
71.30113	4.2
71.80560	1.9
79.05482	40.7
80.00037	2.0
81.03411	69.0
81.06602	2.9
81.07044	35.1
83.01331	8.1
83.04969	24.6
83.08613	29.3
85.02886	21.8
90.22090	2.1
91.04930	2.6
91.05471	40.6
93.07021	37.3
95.04951	32.0
95.08607	20.2
97.02876	4.2
97.06521	9.3
97.10153	3.9
99.08083	2.4
99.51320	2.0
105.07013	33.9
105.99135	2.4
107.04939	15.9
107.08594	17.5
109.06496	8.9
109.10109	7.2
111.04410	6.6
111.08078	11.9
115.05410	2.5
117.06992	11.6
119.08563	27.1
121.06469	6.2
121.10123	17.2
123.08047	10.4
129.07018	12.4
131.08548	17.3
133.10086	9.6
135.11647	10.2
137.09505	3.1
142.07732	2.6
145.10110	20.5
147.08064	5.1
147.11668	14.2
149.09616	9.2
153.12686	4.1
157.10118	16.1
159.11722	2.6
163.11169	25.5
165.12773	3.4
173.09651	4.3
175.11185	18.2
181.12192	2.7
191.10617	3.1
193.12209	55.9
209.11685	10.0
211.11212	5.2
211.13255	91.3
227.12758	6.2
267.15906	15.5
283.15369	100.0
285.16910	56.5
286.17325	2.7
307.99567	2.2
401.23697	2.6
457.25659	2.6
475.26843	7.0
493.27850	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	9.7
55.01866	22.8
55.05513	26.9
57.03426	23.0
57.89722	2.6
61.02916	47.4
62.54182	2.8
65.03920	4.6
65.07114	3.2
67.05494	72.4
69.03413	29.1
69.07060	25.6
70.61003	11.8
71.04974	11.8
73.02914	18.8
77.57134	3.5
79.05480	59.8
81.03395	26.6
81.07043	100.0
83.04962	14.9
83.08598	17.4
85.02894	48.8
85.06520	6.5
91.03944	27.8
91.05458	49.9
93.07030	56.4
95.04958	20.1
95.08592	39.7
97.02872	33.6
97.06512	29.7
97.10160	10.2
99.04424	8.7
99.08094	3.3
101.02346	8.3
105.07008	66.4
107.04923	17.9
107.08569	45.7
109.02876	10.4
109.06490	18.9
109.10138	32.6
111.08036	8.3
115.05425	5.9
117.06992	20.8
119.04939	3.7
119.08563	53.1
121.06474	6.3
121.10123	23.4
123.08086	7.2
123.11700	7.1
125.09620	12.3
127.03894	11.6
129.05469	3.2
129.06956	7.5
131.08551	26.9
133.10109	34.5
135.08057	12.2
135.11665	17.3
137.09573	9.3
141.06935	3.4
143.08533	8.3
145.04959	5.4
145.06445	3.5
145.10086	29.7
147.08038	7.1
147.11702	22.8
149.09608	12.0
149.13246	12.4
151.11163	6.8
155.08470	3.6
157.10121	9.8
159.08031	4.0
159.11647	19.7
161.09578	3.2
161.13206	7.8
163.11186	13.2
165.12698	5.3
169.10054	3.5
171.10254	5.6
171.11668	9.1
173.13219	11.1
177.12796	4.4
183.06485	3.7
185.13147	3.8
187.14845	3.6
189.11182	9.8
189.12695	4.6
193.12236	5.3
194.12662	3.2
195.13844	12.8
211.13217	4.4
212.52817	3.5
217.15945	3.3
227.12695	7.8
229.19527	4.0
239.17921	4.4
245.13794	4.4
247.20508	7.2
257.18912	11.2
264.01199	3.6
269.17316	14.6
275.20026	81.3
281.84769	3.2
284.64819	3.7
285.16946	3.6
293.20981	6.2
349.23621	59.2
367.24747	41.9
413.62701	3.2
431.22455	3.3
529.29010	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	529.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.1
53.04173	2.9
55.01865	35.2
55.05507	36.7
56.10278	2.9
56.59384	2.6
57.03436	21.4
57.07067	3.6
57.12057	2.8
61.02921	56.2
63.80592	2.7
65.03917	4.4
67.05499	62.7
69.03418	24.7
69.07057	33.9
70.46304	11.1
71.04981	7.5
73.02911	25.2
73.26194	2.7
78.16046	2.6
79.05484	61.1
81.03413	15.4
81.06604	5.2
81.07050	68.7
83.04977	10.8
83.08611	20.8
85.02888	45.1
85.06536	5.6
91.03948	21.2
91.05477	55.9
93.07029	48.8
95.01344	3.0
95.04961	17.5
95.08594	36.1
97.02879	36.6
97.06524	56.3
97.10149	26.1
99.04464	4.4
99.08109	4.5
101.02376	6.8
103.05450	4.7
105.07017	54.6
106.86591	2.7
107.04939	26.1
107.08576	50.9
109.02862	7.6
109.06517	9.6
109.10130	17.8
111.08064	6.9
115.03926	4.1
117.07018	19.8
119.08556	36.1
121.06485	9.4
121.10136	20.8
123.04337	2.9
123.08051	7.1
123.11676	9.6
125.09626	29.7
127.03913	8.0
129.07001	6.9
130.57204	2.9
131.08580	26.7
133.10109	31.0
135.08038	11.9
135.11667	13.7
137.09622	5.3
141.06975	3.2
143.08582	10.4
143.71371	2.7
145.05016	3.4
145.06418	4.8
145.10115	32.5
147.08014	3.0
147.11665	24.2
149.09619	33.3
149.13248	7.9
151.11195	5.2
155.08525	5.9
157.10107	9.2
159.07996	3.8
159.11685	20.7
161.09619	8.7
161.13246	10.5
163.11171	15.7
169.10114	5.1
171.10138	13.9
171.11694	7.6
173.02396	4.4
173.13235	14.5
175.11249	3.4
175.14961	4.3
177.12778	8.0
179.14342	3.6
183.11630	5.4
185.13228	5.8
187.11111	3.6
187.13289	7.1
189.11220	28.0
197.13248	3.9
201.12706	4.9
227.12787	30.3
229.14284	5.6
239.17897	6.0
245.13792	21.6
247.20483	3.5
253.17990	14.0
257.18976	15.7
259.09723	7.5
269.17514	8.9
275.20026	100.0
276.20184	3.7
293.21063	3.9
349.23700	78.6
350.24072	3.7
367.24820	63.5
368.24948	3.5
387.88644	2.9
391.24762	3.0
401.01770	3.0
529.28613	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	529.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02353	1.1
51.02362	1.2
53.03925	3.9
55.01846	1.9
55.05499	19.9
57.03417	4.3
57.07069	2.8
65.03920	3.9
67.05495	63.9
69.07056	21.6
69.47055	9.9
69.47466	1.6
71.04971	4.0
77.03906	1.1
77.24916	1.0
79.05480	52.4
81.03405	3.2
81.07042	73.0
83.04953	4.5
83.08604	10.4
85.06521	2.5
91.05469	30.2
93.07031	66.8
95.04949	7.3
95.08587	34.4
97.06523	8.9
97.10162	4.5
99.08083	2.4
105.04509	1.9
105.07018	19.5
107.04923	1.8
107.08575	31.4
109.06507	2.9
109.10112	8.7
111.08054	5.3
113.06055	1.2
113.09654	1.4
114.85025	1.4
117.06995	10.5
119.08546	14.0
121.06441	1.2
121.10124	26.9
123.11690	3.3
129.06979	2.9
131.08536	17.6
133.10098	10.9
135.11667	14.7
139.11220	1.1
143.08543	4.1
145.10133	8.9
147.11681	7.2
149.09610	1.6
149.13226	26.9
155.08493	1.7
157.10115	4.8
159.11674	13.5
161.13246	4.4
163.14850	1.1
169.10126	2.7
171.11714	3.3
173.13261	3.8
175.14827	1.6
177.12738	3.6
183.11777	1.5
185.13216	2.3
187.14729	2.5
195.13753	5.4
197.13168	1.5
199.14757	1.5
237.00943	1.0
243.21107	1.7
261.22205	3.8
269.17538	1.4
270.11758	1.2
275.20105	1.5
281.16470	1.2
284.07678	1.2
317.24973	2.4
419.32648	1.2
437.34076	4.6
455.35059	1.7
511.37534	1.9
529.38812	100.0
530.39026	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02335	1.0
53.03934	4.3
55.01864	2.3
55.05237	1.0
55.05501	19.0
57.03432	5.4
57.07066	6.2
60.21463	0.9
65.03934	2.9
65.15411	1.0
67.05494	52.3
69.07062	18.2
70.06578	2.6
71.04980	4.4
71.08622	1.2
71.72211	1.4
79.05479	43.2
81.03419	3.7
81.07043	60.7
83.04967	4.6
83.08600	11.2
85.06522	2.0
87.04452	23.4
88.07627	3.2
91.05460	33.3
93.07028	47.8
95.04948	7.3
95.08586	31.6
97.06499	6.1
97.10140	4.9
99.08087	2.0
102.09189	1.5
103.05453	1.4
105.07008	24.7
107.04934	2.3
107.08574	26.1
109.06526	1.8
109.10126	9.6
109.61106	0.9
111.08085	4.3
117.07010	13.6
119.08554	17.1
121.06498	1.3
121.10126	16.7
123.08091	1.5
123.11710	3.2
125.09608	2.5
128.06265	1.4
129.06989	5.8
131.08539	20.9
131.09448	1.5
132.04158	1.0
133.10114	17.9
135.08075	2.0
135.11671	10.8
137.09581	1.3
139.11192	1.2
141.07005	1.3
143.08556	8.7
145.10110	17.2
145.11211	1.1
147.08025	1.6
147.11662	7.0
149.13228	12.9
155.08498	4.9
157.10078	7.9
159.11659	18.8
161.13275	4.5
163.11209	1.2
169.10086	4.9
171.11647	7.4
173.09659	1.0
173.13210	6.3
175.14885	2.9
177.12767	3.2
181.10156	1.8
183.11708	2.8
185.13283	3.4
187.14848	4.6
189.11197	1.8
195.11766	2.7
195.13853	5.3
197.13284	3.2
199.14912	3.4
201.16438	1.4
209.13243	1.8
211.14827	1.6
213.16425	2.1
223.14897	1.5
225.16360	1.5
235.14841	1.1
237.16406	1.1
243.21141	1.6
256.26312	22.0
256.28897	1.3
261.22263	2.8
275.20197	3.7
283.20612	1.2
285.22290	2.0
299.23734	1.3
302.46249	1.0
318.85315	1.1
325.25479	1.2
337.25369	1.2
353.67447	1.0
419.33337	2.6
437.34351	10.5
455.35245	3.6
473.36472	3.0
493.36746	2.4
511.38455	6.4
529.22412	4.0
529.38947	100.0
530.39209	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	529.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
53.40667	1.6
55.01868	4.7
55.05505	20.6
57.03438	4.2
57.07070	3.9
59.16389	1.4
65.03934	4.2
67.05498	57.7
69.07067	24.0
71.04990	2.3
71.40003	1.5
71.72005	2.7
79.05482	42.8
79.05930	3.0
81.03438	1.8
81.07050	64.0
82.07406	1.7
83.04980	3.8
83.08608	11.2
85.06548	2.9
88.89187	1.5
91.05472	36.1
93.07037	42.5
94.07346	1.6
95.01353	1.9
95.04987	9.3
95.08600	33.9
97.06553	6.3
97.10188	6.4
102.39965	1.5
102.52496	1.8
105.07018	27.2
107.04978	3.4
107.08582	27.2
109.06537	3.1
109.10151	9.7
111.08097	2.5
115.05503	2.0
117.06210	2.5
117.07014	16.1
119.08566	18.6
121.10134	17.6
123.08095	3.3
123.11723	4.3
125.09590	2.6
128.06215	1.8
129.07037	5.5
131.08542	24.6
133.10118	18.2
135.08044	1.9
135.11696	10.1
136.06186	2.5
141.07030	3.8
143.08568	10.9
145.10117	19.1
147.11658	8.0
149.13232	12.8
155.08597	6.5
157.10107	10.6
159.11674	12.4
161.13341	5.1
169.10191	5.1
171.11665	8.0
173.13266	10.1
173.30862	1.7
177.12834	2.5
181.10179	3.7
183.11760	6.1
185.13293	3.9
187.14803	2.1
193.10210	1.6
195.12056	2.4
195.13866	4.6
197.13307	3.6
199.14896	3.9
201.16475	4.0
203.14442	2.0
209.13382	1.7
239.17911	1.8
257.19150	1.7
278.08926	1.6
285.22177	2.4
297.22113	1.7
308.19925	1.7
419.33353	3.2
437.34589	9.9
455.35229	4.7
473.36444	3.0
511.37881	5.8
529.39063	100.0
530.39130	2.7
551.01764	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63057	0.4
70.95567	1.6
78.20170	0.5
79.05459	0.9
85.02852	0.6
91.05455	0.8
93.07008	1.6
103.05442	6.4
107.04932	1.6
120.08083	100.0
121.06498	4.0
121.08427	1.4
131.04886	2.3
137.53215	0.5
149.05957	16.4
166.08611	56.2
167.07019	20.2
169.22800	0.5
178.85834	0.5
185.08055	1.9
225.48259	0.4
230.71547	0.5
266.34976	0.5
287.16635	0.5
531.17206	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.0
55.01859	5.5
55.05502	21.2
57.03428	19.0
65.03919	1.8
67.05495	31.2
68.89389	1.5
69.03410	5.4
69.07056	9.9
69.57658	14.2
70.24866	1.4
71.04964	6.1
71.32221	1.5
79.05482	34.6
81.03405	81.9
81.07048	34.9
83.04966	26.5
83.08611	30.6
85.02894	30.8
85.06515	2.7
86.09702	1.8
91.04921	2.9
91.05461	41.8
91.44457	1.8
93.07043	22.1
95.04953	34.6
95.08585	15.4
97.02876	3.7
97.06515	9.3
97.10149	5.9
99.08086	1.7
104.10728	3.9
105.07013	32.2
107.04958	8.9
107.08570	8.2
109.02845	1.9
109.06500	5.9
109.10161	5.3
111.04418	3.5
111.08073	14.2
112.69735	2.0
113.06012	2.9
117.07011	2.6
119.08549	23.5
121.06474	2.0
121.10122	10.9
122.29015	1.5
123.08016	3.9
123.11673	1.9
124.95563	1.5
125.09651	2.1
129.06976	14.8
129.97313	1.7
131.08542	16.0
133.06415	2.9
133.10118	17.2
137.09608	3.0
142.07770	5.9
145.10139	2.6
147.07980	4.0
147.11662	19.4
149.09599	8.4
149.24998	1.6
151.00340	1.5
157.10130	17.3
160.43974	1.4
163.11169	1.7
165.12631	2.7
175.11153	23.1
180.38640	1.5
193.12215	71.7
211.13255	100.0
244.06525	2.1
267.15872	26.5
285.16934	86.5
286.17368	2.3
287.76349	1.8
459.27368	7.7
477.28152	10.9
495.29617	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41151	1.4
68.06049	1.3
69.03426	2.0
69.45921	14.0
69.46306	2.8
77.00895	5.4
85.02882	2.3
89.00865	1.5
92.65688	1.2
95.01949	2.9
97.02840	1.6
98.21407	2.9
98.97596	2.2
101.00862	2.8
112.89617	3.5
114.89340	3.7
119.01907	8.3
131.01872	2.2
137.02943	1.7
139.26514	1.3
143.01888	4.4
145.03441	5.4
147.01419	1.4
150.71767	1.5
154.99281	1.5
155.01900	5.0
157.03444	14.9
161.02887	6.5
165.02431	1.3
173.02940	11.5
175.04485	4.1
177.00685	1.6
185.02928	4.3
188.91136	11.2
203.03964	11.2
219.63652	1.4
221.05046	31.0
237.02936	3.1
239.06081	39.7
239.08446	2.5
245.05103	5.3
255.03888	3.6
263.06094	45.6
275.06085	100.0
276.06400	3.1
277.07727	1.8
291.05612	2.5
295.41132	1.3
303.05801	2.1
305.07153	12.2
307.07574	1.4
323.08051	1.5
351.07687	5.0
365.09247	11.7
381.07397	1.7
383.10242	13.7
386.96323	2.1
393.08401	1.8
399.08307	1.6
453.10620	1.7
465.10843	4.5
471.11707	3.1
483.12045	9.4
492.20416	1.5
502.67883	1.9
513.12958	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21584	2.6
53.03960	6.6
55.01862	7.5
55.05505	35.8
57.03445	13.8
57.07062	4.3
59.59679	3.0
64.22710	2.5
65.03941	3.5
67.05496	95.1
69.03412	3.4
69.07058	30.5
70.00496	2.8
70.09193	2.9
71.01375	3.3
71.04972	7.3
71.08603	4.7
79.05487	74.0
81.03385	3.8
81.07044	96.8
83.04958	11.3
83.08620	15.5
85.06534	7.4
91.05468	70.0
91.77396	2.9
93.07031	70.9
95.04973	13.2
95.08591	55.0
97.06509	9.9
97.10155	13.0
99.08065	2.7
103.03889	3.2
105.07018	65.0
107.04920	4.0
107.08586	58.5
109.06501	7.3
109.10143	47.9
111.08100	3.6
115.05428	3.4
117.06995	30.1
119.08564	56.9
121.06504	4.0
121.10128	25.3
123.08055	8.4
123.11677	9.7
125.09575	6.0
128.06189	4.3
129.06990	16.4
130.07809	5.2
131.08553	49.8
133.10101	57.7
135.08040	3.4
135.11670	41.1
137.09552	4.7
141.06972	5.0
142.07765	6.1
143.08533	29.6
144.09085	3.2
145.10104	53.2
147.11667	30.7
149.13240	11.6
151.11171	18.4
155.08551	14.5
155.34041	2.6
157.10100	28.7
159.11668	40.1
161.09593	4.8
161.13242	23.7
163.11136	4.1
163.14786	3.9
167.08621	4.0
169.10110	14.6
169.12285	4.1
171.11652	25.7
173.13223	26.3
175.14883	6.6
177.12762	4.0
179.14288	4.2
181.10104	6.4
181.12158	6.2
183.11644	16.0
185.13260	21.5
187.14784	14.5
189.16364	3.4
193.10182	2.8
195.11685	7.1
197.13197	14.5
199.14841	14.7
201.16374	5.7
207.13794	3.3
207.53609	2.7
209.13251	4.8
211.14803	8.5
213.16318	5.4
223.14713	4.6
225.16418	3.9
227.17950	3.2
235.14725	3.9
241.19472	10.5
243.21149	4.0
251.17694	2.8
251.56644	2.8
253.14285	38.2
255.15837	21.3
257.18829	3.2
259.20544	29.0
261.22202	6.1
271.17029	3.2
277.21729	4.9
283.20630	4.0
285.21866	5.2
287.19650	3.4
287.23532	3.5
295.20108	3.4
297.22269	5.0
299.23810	3.2
301.21588	4.2
311.23624	4.6
313.21674	2.8
313.25266	2.9
315.23047	5.8
321.21924	3.9
333.24155	8.4
403.29840	8.0
409.30905	6.6
411.32327	12.8
421.30896	23.3
429.33771	5.7
439.31992	27.3
457.33347	19.7
465.32977	3.4
467.00864	3.3
483.34531	3.2
485.36035	9.9
495.34512	7.8
501.34982	3.6
503.37241	29.5
513.35730	100.0
514.36084	4.1
531.36719	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3674
Annotation	CHEBI:66780
Peak:m/z	Relative Intensity
53.03935	4.2
55.01862	4.7
55.05507	31.0
57.03426	12.2
57.07066	4.2
65.03928	4.3
67.05135	3.4
67.05498	68.1
69.07060	24.6
71.04989	5.9
71.15781	3.5
74.47838	1.7
74.78857	1.8
79.05483	51.0
81.03429	4.9
81.07047	60.7
83.04980	5.2
83.08611	12.8
85.06541	3.0
86.66447	1.8
91.05475	46.3
93.07030	51.7
95.04967	9.2
95.08596	42.0
97.06510	7.1
97.10154	11.4
99.08084	2.5
103.05428	2.4
105.07023	50.5
107.08577	38.3
109.06487	5.3
109.10126	17.8
111.08090	3.4
115.05393	3.2
117.07021	20.6
119.08571	47.9
121.06485	2.8
121.10139	19.4
123.08079	6.2
123.11683	3.3
125.09616	4.7
128.06218	2.8
129.06979	17.0
130.07715	2.8
131.08546	40.4
131.09445	3.2
133.06482	2.4
133.10107	38.1
135.08040	4.6
135.11673	25.4
137.09616	2.7
141.07021	5.4
142.07785	5.0
143.08548	24.8
144.09361	3.0
145.10109	47.6
147.08040	2.7
147.11665	26.8
149.09607	3.8
149.13235	5.9
151.11200	2.5
155.08525	12.3
157.10104	24.2
158.10909	2.1
159.11679	33.8
161.09566	3.9
161.13240	17.3
163.11169	5.0
163.14894	3.1
167.08569	4.2
169.10118	16.3
171.11682	26.2
173.09532	2.6
173.13248	26.4
175.14833	7.4
177.12595	1.9
181.10133	5.4
181.12276	5.0
183.11653	17.5
185.13243	21.2
187.14815	12.1
189.12791	2.9
195.11676	6.9
197.13173	12.1
199.14798	14.0
201.16437	4.2
209.13306	6.8
211.14845	7.5
213.12839	2.4
213.16406	5.9
215.14365	3.3
221.13269	3.0
223.14857	5.9
225.16370	5.6
227.18002	2.5
235.14731	4.0
237.16406	2.5
241.19556	12.7
253.14268	4.1
255.15811	16.1
257.19223	2.1
259.20517	29.3
271.20569	2.6
273.18469	2.8
283.20599	3.3
285.22147	5.7
287.20111	3.1
290.68222	1.7
295.20685	3.1
297.22125	2.4
299.23557	2.8
301.21548	1.7
309.22089	2.6
313.21661	2.2
313.48563	2.1
315.23038	5.3
323.23593	3.2
327.22873	2.5
329.24887	3.1
333.24222	10.6
335.23840	2.9
391.29672	2.4
393.31573	3.9
403.29947	6.0
409.30957	6.4
411.32452	12.2
421.31036	28.3
429.33447	4.7
439.32050	24.7
447.34845	2.0
457.33005	22.2
476.66083	2.0
483.34912	4.3
485.36185	8.7
487.34070	3.4
495.34848	8.6
501.35489	5.8
503.37265	32.7
513.35748	100.0
514.36102	4.0
531.36713	50.6
556.88165	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3673
Annotation	Rubianol b
Peak:m/z	Relative Intensity
53.03944	5.1
55.01858	10.1
55.05504	42.7
57.03419	11.5
57.07054	6.1
59.89435	2.9
67.05496	80.2
69.07060	34.0
71.04990	6.9
71.44837	5.2
79.05481	68.9
80.05842	3.3
81.03398	4.9
81.07043	67.3
83.04965	9.0
83.08622	13.5
85.06512	5.9
91.05467	60.9
93.07033	71.9
95.04965	10.4
95.08595	46.2
97.06513	9.3
97.10163	14.6
105.07016	62.6
107.08579	41.4
109.06498	4.6
109.10144	26.3
111.08045	4.8
117.06989	28.6
119.08563	54.2
121.06503	6.0
121.10095	23.5
123.08033	5.1
123.11652	3.2
125.09610	9.8
128.06203	3.8
129.06990	24.3
131.08542	46.1
133.10112	45.1
135.08023	5.0
135.11678	36.3
136.82523	2.8
141.06927	4.7
142.07770	5.4
143.08537	28.9
145.10094	54.0
147.07988	4.4
147.11678	37.9
149.09607	5.5
149.13245	9.1
150.36331	2.8
151.11189	4.8
155.08536	9.5
157.10114	24.2
159.07986	4.1
159.11684	42.1
161.09689	2.8
161.13194	17.5
163.11166	4.5
163.14659	3.2
167.08546	5.7
169.10103	20.7
171.11673	32.7
173.13252	29.5
174.14029	3.4
175.11235	4.6
175.14796	10.9
181.10104	7.9
181.12193	7.1
183.11691	17.9
185.13257	28.2
187.14784	19.4
189.11191	3.7
191.14111	3.1
193.10156	3.5
195.11630	8.5
197.13306	14.7
199.14804	13.4
201.16345	3.4
203.14368	3.1
209.13249	7.8
211.14760	8.6
213.16380	5.7
225.16338	5.2
231.20947	3.1
241.16022	3.3
241.19489	17.5
253.14293	6.6
255.15816	23.0
259.20566	34.7
261.21973	4.6
285.22125	3.8
287.23727	3.1
295.20529	3.1
297.22018	4.7
299.23618	5.6
311.23514	3.2
313.21661	4.7
315.23187	4.1
327.22949	3.7
333.24271	13.0
337.25238	3.2
393.31339	4.2
403.29910	8.1
408.84943	3.5
409.30847	7.9
411.32590	13.6
421.30948	34.5
429.33707	4.9
439.31943	24.5
457.33215	26.8
485.35895	10.3
495.34833	8.0
501.35846	6.9
503.37195	33.9
513.35699	100.0
531.36731	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3676
Annotation	CHEBI:66780
Peak:m/z	Relative Intensity
50.09861	2.0
53.03926	4.0
55.01854	5.4
55.05500	35.3
55.21564	2.1
57.03434	11.0
57.07066	4.8
60.97634	1.9
65.03929	3.6
67.05492	76.9
69.07054	24.7
69.43782	2.9
69.44184	19.9
71.04972	6.9
79.05478	53.1
81.03398	4.0
81.07042	66.1
83.04962	4.9
83.08613	13.5
85.06525	6.1
91.05463	52.6
93.07027	62.2
95.04953	8.0
95.08594	41.3
97.06515	9.4
97.10136	9.5
99.08039	4.4
105.07014	48.1
107.08582	40.8
109.10130	25.2
111.08062	4.4
114.74809	2.0
115.05411	2.9
117.07004	22.5
119.08565	48.1
121.06556	2.4
121.10135	22.5
123.08068	5.2
123.11706	4.4
125.09621	4.8
128.06175	3.3
129.06985	16.6
130.07762	3.1
131.08548	41.5
133.10114	40.2
135.08012	4.0
135.11667	29.7
137.09554	2.6
141.06956	3.4
142.07753	3.8
143.08536	23.1
143.89310	2.2
145.10094	40.4
147.08044	2.5
147.11652	32.0
149.13194	7.6
151.11215	3.5
155.08527	7.5
156.09393	2.5
157.10106	26.0
159.11659	36.7
161.09505	2.5
161.13199	23.1
163.11159	4.4
163.14799	3.2
167.08546	2.5
168.09378	2.8
169.10181	15.3
171.11649	26.0
173.09589	2.7
173.13222	26.2
175.14809	11.3
181.10155	5.1
181.12219	6.3
183.11629	11.0
185.13231	20.4
187.11165	2.7
187.14813	14.2
195.11670	5.6
197.13232	13.1
199.14801	11.2
201.16452	4.6
209.13216	8.6
211.14728	7.6
213.16354	5.6
221.13129	2.4
223.14830	4.1
225.16353	5.2
231.21089	2.8
237.16318	3.4
239.17932	2.7
241.19481	19.6
251.17938	3.2
253.14291	4.9
255.15768	25.2
259.20541	31.4
269.18915	3.6
277.21585	2.6
285.21945	5.5
297.22189	4.8
303.22943	2.5
315.23099	4.2
327.23450	3.5
333.24219	13.0
344.27267	2.1
347.88171	2.3
393.31635	2.8
403.29816	7.5
409.31091	5.0
411.32462	8.7
421.30969	25.9
427.31863	3.1
429.33499	3.6
439.31799	18.1
452.83374	2.4
457.32919	18.1
485.35944	8.3
495.34540	10.1
501.35452	4.3
503.37170	30.0
513.35645	100.0
514.35712	3.1
531.36597	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1649
Annotation	Styraxlignolide B
Peak:m/z	Relative Intensity
53.03940	3.0
53.69925	1.6
55.01864	5.7
57.03421	2.3
59.04975	1.6
65.03931	3.3
67.05500	4.3
68.99783	2.1
69.03415	7.2
69.07063	2.7
69.40130	9.4
69.40558	7.1
71.05002	1.8
79.05492	5.0
80.51996	1.7
81.03412	4.7
81.07034	4.6
83.04932	1.7
85.02901	8.7
85.06526	4.6
89.03899	1.9
90.49882	1.4
91.05479	5.4
93.07025	4.6
95.04967	3.6
95.08593	3.8
97.02877	3.5
97.06540	3.2
103.78607	1.5
105.07005	3.7
107.04922	3.8
107.08580	5.4
109.02876	3.2
109.06507	3.7
109.10120	2.2
111.04419	5.5
117.03334	2.1
119.04951	2.6
119.08609	3.2
121.06538	3.2
121.10121	2.8
123.04440	7.4
123.08057	2.5
125.05978	4.6
127.03883	3.0
129.06990	2.7
131.04890	5.4
131.08562	2.9
133.06474	2.3
133.10100	5.1
135.04401	47.7
137.05952	28.2
142.14876	1.5
143.04869	1.9
145.02811	6.7
145.06483	2.3
145.10117	3.0
147.04385	11.4
147.08002	2.8
149.02306	20.9
149.13277	1.6
151.03883	69.5
151.04945	4.6
151.07510	3.3
156.55551	1.5
159.04381	2.5
159.07993	2.2
159.11784	2.1
161.06023	4.1
163.03923	5.6
163.07558	1.7
165.05446	3.6
165.12711	1.8
167.07024	17.9
173.05978	2.7
173.13269	2.4
175.03877	16.2
175.07596	5.1
175.11229	1.6
177.05460	5.2
189.05421	3.3
189.12697	1.8
191.07024	4.3
191.14320	2.8
192.07700	2.4
193.08528	2.2
201.05406	4.0
203.06969	2.2
209.15353	1.7
217.04881	2.4
219.06519	6.0
248.08429	1.6
277.08633	1.8
323.08887	2.0
325.10611	1.9
341.10141	5.4
341.13950	5.6
353.09995	3.6
353.13934	2.9
371.11194	100.0
372.11383	2.9
483.14096	2.5
533.20105	10.0
533.30804	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14710	0.6
51.02362	1.1
53.00306	0.7
53.03929	1.5
53.54465	0.5
55.01873	3.4
55.47795	0.6
56.19894	0.5
57.03429	1.0
58.92982	0.6
60.87535	0.6
61.02909	2.1
65.03931	3.8
67.05499	1.3
67.82365	0.5
68.99761	1.8
69.03423	6.1
69.07069	1.3
69.68113	4.9
70.06570	0.9
71.04982	0.9
71.44962	0.5
73.02892	1.1
77.03925	0.8
79.05466	4.7
80.75568	0.6
81.03403	8.7
81.07043	2.9
83.04977	1.1
84.04468	0.6
85.02900	9.8
85.06509	0.9
91.05463	2.5
93.03399	0.9
93.07018	1.8
95.01321	1.6
95.04953	1.9
95.08595	2.2
97.02874	5.3
98.21445	1.1
99.04431	0.6
101.31177	0.6
103.05441	2.0
105.03363	1.1
105.07008	2.7
107.04931	1.0
107.08579	1.9
109.02845	1.9
109.06495	0.8
109.10146	1.0
111.04410	1.3
115.05400	3.7
117.06997	2.2
119.04924	1.9
119.08552	2.2
121.02804	0.7
121.06520	1.2
121.10117	1.5
121.71385	0.6
123.04377	1.6
125.02289	0.5
127.03893	2.1
128.06197	2.3
129.06976	12.3
131.04881	2.9
131.08499	1.9
133.10118	1.5
135.04395	87.8
135.11694	0.8
136.04778	1.2
137.02361	0.6
137.05984	1.2
137.09605	0.6
139.03896	1.4
143.04910	5.2
145.02864	0.9
145.04924	1.3
145.06470	3.0
145.10063	1.2
147.04373	4.7
147.07941	0.8
147.11655	1.0
149.02319	100.0
149.05865	1.4
150.02702	1.3
151.03868	6.6
151.94438	0.6
153.01805	0.7
155.08504	0.7
157.06468	12.0
157.10117	1.4
159.04398	2.0
159.11726	0.9
161.05928	2.4
161.09541	0.8
163.03868	4.3
167.07014	1.0
167.08511	0.6
171.04428	4.3
171.11635	0.8
173.05959	6.4
173.13275	1.0
175.03894	1.2
175.07530	1.1
177.05437	2.3
183.04440	1.1
185.05937	4.1
187.03897	0.9
187.07513	10.7
187.14676	0.8
189.05447	8.6
189.06998	1.1
189.12691	1.0
191.06966	0.7
191.08545	1.1
191.14236	1.1
201.05432	26.5
202.05917	0.7
203.06963	5.8
203.08586	1.1
205.06488	0.9
207.07991	0.9
209.15286	0.8
213.05399	2.8
219.06248	5.7
219.08086	3.0
231.06454	10.5
235.07507	1.7
247.07477	3.9
249.09218	1.1
255.06633	0.7
259.07434	3.9
262.06259	1.2
263.07053	1.3
265.08594	2.4
275.07001	2.4
277.08539	5.8
280.07281	1.4
281.04358	2.5
282.05185	3.3
287.06903	2.6
293.07983	3.5
295.09473	0.9
305.08054	6.5
307.09674	4.8
308.06448	1.1
317.08069	4.8
320.06931	1.1
323.09097	14.0
325.10529	1.0
335.09103	16.6
337.10486	0.8
341.10220	5.2
353.10141	33.7
354.10541	1.2
355.11578	0.9
371.11206	13.6
440.14233	0.6
533.31097	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
54.75437	0.8
55.01860	1.5
57.03418	1.0
65.03918	0.9
67.05484	1.4
69.03407	1.7
69.54464	3.2
69.54868	1.7
71.04999	0.7
75.23991	0.6
75.61583	0.6
78.04691	2.7
79.05484	8.0
81.03425	1.3
81.07037	1.6
82.53774	0.5
83.41373	0.6
85.02903	4.1
85.03312	0.6
91.05461	4.0
93.03372	1.1
93.07025	1.8
95.04937	2.5
97.02874	1.4
99.04447	0.8
102.04681	0.7
103.05449	3.4
105.03445	0.6
105.07017	7.0
106.04151	1.2
107.04943	12.1
107.08578	1.3
109.02850	1.5
111.04463	1.0
115.05426	4.2
117.06996	1.4
117.99628	0.7
118.04131	1.2
119.04921	1.0
119.08552	2.4
121.06483	1.6
121.10110	1.5
122.03667	0.9
123.04414	5.6
123.08065	1.0
124.05151	3.0
125.05976	1.5
127.03845	1.6
128.06235	3.4
129.07014	5.6
131.04900	4.8
131.08545	1.6
132.05688	2.5
132.95805	1.5
133.06454	5.4
135.04402	6.3
137.05934	3.9
139.07484	0.7
141.06984	1.2
143.04977	0.8
144.05661	1.5
145.02847	0.9
145.06461	2.5
145.10045	1.3
147.04385	2.5
147.08028	2.8
149.02321	3.1
149.05983	2.0
149.09666	0.9
150.96852	0.9
151.03880	10.5
151.05037	1.0
152.04666	2.5
153.05418	2.1
155.07033	1.0
156.05653	1.0
159.04364	0.9
159.08054	5.6
160.05200	1.9
161.01036	0.6
161.05945	8.8
163.03897	1.6
163.07533	1.0
167.07016	100.0
168.05644	0.8
169.06506	0.7
171.08028	1.5
172.05150	2.5
173.05977	1.1
173.13210	1.1
174.96858	2.0
175.03998	3.0
175.07518	22.5
175.92477	0.7
176.04628	1.1
177.05441	1.9
179.07001	1.2
184.05217	1.2
185.89304	0.6
187.07513	20.3
189.05447	0.9
189.06970	1.4
189.09032	1.7
190.07715	1.6
191.07022	8.9
191.08563	1.2
191.14250	1.1
192.07776	1.0
199.07486	7.9
202.07770	1.8
203.08534	2.9
205.06531	1.0
205.08348	0.7
206.07280	2.1
207.08012	1.0
209.08064	2.6
215.08524	2.0
216.97929	0.8
217.06593	0.8
217.08519	1.3
218.07210	3.1
219.08054	2.6
219.13817	0.8
221.09625	2.5
223.07578	0.7
231.08028	2.6
232.08833	1.3
233.09561	3.0
234.06754	2.1
235.07494	2.5
243.08049	1.0
246.06729	1.5
246.98877	1.1
247.07494	1.8
248.08368	0.8
249.09016	4.5
250.09917	1.1
251.07103	1.8
252.97984	1.1
259.07471	0.7
260.08261	1.5
261.09167	4.9
263.06992	1.8
265.08502	1.0
266.09387	0.8
271.36206	0.7
275.06995	0.9
277.08591	2.9
278.09341	1.8
279.10184	1.0
281.11713	6.5
283.10422	0.8
289.08478	4.4
290.09372	1.0
291.06461	0.7
293.11731	1.9
294.08655	0.8
295.09644	1.0
306.08786	1.1
307.09470	1.3
309.11209	7.9
311.09790	1.3
321.11163	9.4
322.12109	1.8
325.14355	1.1
326.11380	1.7
341.10059	1.3
341.13739	17.3
353.09714	1.2
353.13791	11.1
371.11172	14.2
487.30701	1.2
501.14731	1.2
533.31799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.1
55.01855	2.7
57.03410	2.4
61.02904	1.2
65.03925	1.2
66.01379	0.8
67.54283	0.7
69.03415	6.4
71.22908	2.1
78.04681	2.4
79.05480	8.4
81.03391	3.0
81.07028	1.5
83.04973	1.1
85.02885	13.7
87.04436	1.3
91.05479	4.9
91.28236	0.8
93.06981	1.1
95.04942	2.5
95.08604	1.0
97.02879	6.7
99.04412	1.5
103.05464	2.3
105.07000	7.2
106.04181	1.3
107.04933	17.5
107.08587	1.4
109.02842	2.1
109.06452	1.2
115.05440	4.3
117.03345	1.1
117.07006	1.8
118.04142	1.0
119.04925	1.9
119.08531	2.2
121.06428	1.1
121.10158	1.2
123.04407	5.1
124.05222	4.7
125.05949	3.1
127.03888	3.0
128.06189	3.7
129.06993	4.0
131.04871	5.8
131.08536	1.2
132.05672	2.9
133.06470	5.2
135.04370	2.8
135.08038	0.8
137.05957	7.5
141.06956	1.9
143.04910	0.9
144.05679	1.5
145.02817	1.2
145.04875	1.2
145.06424	1.4
147.04340	2.2
147.08015	3.6
149.02301	4.4
149.05945	2.0
149.08270	0.8
149.13239	0.9
149.26921	0.8
151.03865	3.5
151.11096	2.3
152.04646	3.0
153.05426	2.6
155.04836	1.0
156.05658	1.5
159.08032	5.4
160.05168	1.5
161.05934	9.0
163.07501	1.3
167.07013	100.0
168.07292	0.9
169.06444	1.6
171.04376	0.9
171.08063	2.3
172.05212	0.9
173.05983	1.5
173.13184	1.2
175.04001	1.0
175.07521	35.2
176.04710	0.9
177.05434	4.2
177.13014	0.9
178.07811	0.9
179.06976	1.4
184.05188	1.2
187.07506	14.0
189.07001	1.3
189.09036	2.6
190.07742	1.1
191.07014	10.6
191.08536	1.6
191.14339	2.2
192.07813	1.1
193.08557	14.5
199.07503	13.2
201.09087	3.1
202.07738	2.1
203.08516	3.1
206.07167	1.7
207.08095	1.2
209.15320	3.5
215.08517	3.5
218.07199	3.7
219.06299	1.2
219.08125	1.7
219.13724	1.1
221.09566	1.5
231.08020	2.2
232.08788	1.6
233.09645	5.3
234.06737	1.3
235.07469	4.0
243.07918	1.6
243.50606	0.9
245.06079	1.0
246.06697	3.0
247.07449	2.1
247.23102	0.8
249.08978	3.9
250.09805	0.8
251.06917	1.4
251.10663	0.9
257.05948	1.0
260.08374	2.0
261.09042	6.9
263.07028	3.2
263.10745	1.1
274.06250	1.6
275.06931	2.1
277.08588	4.3
278.09329	2.6
281.11685	4.2
289.08466	6.3
290.09283	1.8
291.06616	1.1
291.10068	2.4
293.11691	3.5
295.09738	1.1
306.08786	2.9
307.09598	2.3
309.11084	6.1
321.11166	13.7
322.11978	2.8
325.14319	2.5
326.11377	1.2
338.11261	1.1
341.10062	1.6
341.13760	15.4
341.20477	0.9
353.09598	1.2
353.13766	20.7
355.15384	1.5
371.11163	3.6
533.15802	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	533.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.4
55.01856	5.1
55.05500	1.2
57.03431	7.7
61.02918	11.3
67.05479	2.5
69.03418	32.4
69.07051	8.7
70.06503	4.5
71.04978	4.7
73.02897	4.7
78.89445	0.7
79.05463	3.4
80.27180	0.7
81.03403	12.0
81.07019	3.0
83.01337	0.8
83.08583	2.1
85.02892	100.0
86.03178	0.8
87.04436	3.3
91.03934	5.3
91.05476	2.1
91.61669	0.7
93.07028	3.8
95.04948	7.5
95.08582	2.8
96.62392	0.8
97.02876	37.4
97.06507	3.5
98.21335	1.2
99.04448	5.9
101.02388	1.1
101.96266	0.7
105.07027	4.2
107.04929	0.8
107.08580	5.7
109.02870	10.8
109.06489	3.5
109.10110	1.3
115.03877	0.8
117.05390	0.8
119.08551	4.4
121.06446	4.2
121.10098	2.3
122.07249	4.3
123.04413	1.1
123.08045	21.3
127.03897	25.6
127.07560	1.0
131.08531	1.5
133.10117	5.5
135.08031	30.9
135.09064	1.7
135.11681	3.7
137.09587	1.3
145.04932	38.7
147.04376	1.4
147.11646	2.7
149.09560	1.9
149.13202	1.2
155.30516	0.7
161.09518	0.9
163.05986	6.8
163.14687	1.2
165.12738	23.0
171.06444	1.7
173.13283	1.8
175.14795	3.7
176.11937	3.6
189.07559	2.6
191.14273	90.5
192.14632	1.6
193.15860	11.5
204.34766	0.9
207.13779	3.4
208.48009	1.0
209.15327	13.9
307.72281	0.8
353.19513	2.5
371.20621	9.3
533.25836	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.01846	1.3
55.05487	3.1
57.03428	1.7
61.02899	1.7
65.03918	1.4
67.05491	3.0
69.03416	6.1
69.07050	4.3
70.06580	0.7
70.47609	2.9
71.04959	1.0
79.05471	8.1
81.03400	3.3
81.07053	10.0
83.04932	1.0
83.08611	1.0
85.02891	11.0
85.06522	3.6
91.05472	15.0
93.07024	9.8
95.04946	3.0
95.08585	8.2
97.02883	4.4
97.06511	2.9
99.04393	0.8
99.08071	7.0
103.05439	2.7
105.07011	36.7
107.04939	5.3
107.08572	13.8
109.02841	2.3
109.06486	3.4
109.10131	2.6
111.08069	0.6
113.05933	0.7
115.05421	2.6
117.06993	6.8
119.04907	3.2
119.08553	27.4
121.06485	9.0
121.10128	6.3
123.04372	1.2
123.08038	2.4
124.05196	1.0
125.05997	5.4
127.03916	3.2
128.06212	2.2
129.06970	5.3
130.07758	0.9
131.04916	10.6
131.08540	72.9
132.08902	0.9
133.06451	3.3
133.10109	6.9
135.04369	1.6
135.08040	5.8
135.11626	2.7
137.05951	2.7
137.09592	0.8
139.07510	0.8
141.06946	1.6
142.07788	1.1
143.08525	8.2
144.09282	1.9
145.02806	1.5
145.04968	2.0
145.06461	2.0
145.10104	14.3
147.04384	15.8
147.08015	18.7
147.11682	6.2
149.02271	2.2
149.05959	22.8
149.09612	1.7
149.13275	1.3
151.03877	1.3
151.07535	0.7
153.05421	0.8
155.08562	1.5
156.09305	4.3
157.10118	4.6
158.10899	2.3
159.08006	2.0
159.11642	5.2
160.05101	1.0
161.05936	2.2
161.09590	2.8
161.13206	9.6
163.03868	2.3
163.07542	2.3
163.11160	1.1
163.14792	14.7
165.12737	1.3
167.07011	20.5
169.06442	0.9
169.10060	1.8
171.07939	1.0
171.11664	16.6
173.09749	2.2
173.13232	100.0
175.07512	9.3
175.11176	3.3
175.14774	5.3
176.11972	1.2
177.05424	2.0
183.11696	2.0
185.13152	2.1
187.07495	2.9
187.14764	2.6
189.07007	1.1
189.09076	1.3
189.12698	12.0
189.16287	0.9
191.06966	2.1
191.14275	69.7
192.07774	1.7
192.14594	1.2
193.08539	3.4
195.11574	1.7
197.13290	1.2
199.07463	4.2
199.11168	2.5
199.14786	2.5
201.05275	1.7
201.12718	9.8
203.08609	1.0
203.14287	5.9
207.13783	3.3
209.15276	1.0
211.14848	1.1
215.08617	1.0
215.14311	2.0
217.12225	16.0
217.15810	2.2
219.13766	31.6
221.15303	1.5
223.14856	0.9
225.12663	0.7
229.15720	0.9
231.45709	0.9
235.07637	0.9
235.13249	11.7
235.16830	3.9
237.14766	4.0
243.13857	0.8
246.06650	0.9
251.07121	0.8
253.14265	1.3
261.09137	1.7
283.10956	1.1
289.08566	1.7
293.11581	1.2
309.10767	1.0
321.11194	3.2
322.11560	1.1
339.09308	0.8
341.13739	2.8
347.23361	1.4
353.10068	0.9
353.13934	4.8
371.11148	3.4
371.20300	1.0
387.26694	0.9
399.25360	1.0
405.27554	1.4
407.29138	1.0
415.25449	1.6
423.28616	1.0
433.27292	2.0
441.29813	2.7
451.28244	5.4
469.29391	15.2
469.35507	0.6
471.30954	4.8
487.30478	66.4
488.30722	1.4
489.32278	1.9
515.29852	2.8
533.16064	1.0
533.31390	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	533.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01848	1.1
55.05484	2.1
57.03419	1.2
67.05504	2.3
69.03420	2.6
69.07053	3.6
71.04976	1.5
79.05485	5.0
81.03416	1.9
81.07050	9.0
83.08624	1.2
85.02908	6.9
85.06534	1.5
91.05468	12.2
93.07035	9.0
95.04945	3.1
95.08583	6.2
97.02866	2.2
97.06521	3.7
98.21469	2.3
99.08075	6.1
103.05424	1.6
105.07014	33.2
107.04942	0.9
107.08578	13.8
109.02879	1.2
109.06503	1.8
109.10110	1.6
111.08041	1.4
115.05464	1.7
116.06181	1.5
117.06986	4.8
119.04909	1.8
119.08571	22.2
120.60131	0.9
121.06487	6.9
121.10125	6.2
123.08044	2.2
125.05997	5.3
127.03893	1.2
129.07013	3.5
131.04910	8.2
131.08549	77.8
133.06451	2.1
133.10129	6.5
135.08015	5.3
135.11662	3.3
137.05952	2.0
137.09540	1.1
139.07538	1.1
142.07790	0.9
143.08537	6.3
144.09383	1.3
145.04955	2.2
145.06502	1.5
145.10085	11.3
147.04416	7.3
147.08029	16.6
147.11687	5.8
149.05962	23.5
149.09575	1.4
149.13300	1.5
151.03862	1.5
151.07607	1.2
155.08574	1.4
156.09337	4.2
157.10109	4.7
158.10904	3.6
159.08084	1.9
159.11658	5.2
161.09654	3.3
161.13232	10.3
163.07536	1.7
163.11188	1.1
163.14815	15.5
165.12743	2.0
169.10030	1.1
171.11664	15.5
173.13239	100.0
175.07439	0.9
175.11211	3.0
175.14812	5.2
183.11745	2.4
185.13240	2.2
187.11116	1.6
187.14813	2.2
189.12704	12.3
191.14287	72.0
193.15843	1.7
195.11620	1.2
197.13232	1.8
199.11153	4.6
199.14838	2.4
201.12723	8.9
203.14265	5.6
207.13753	2.5
213.12640	1.3
215.14261	2.3
217.12209	17.2
217.15834	3.4
219.11652	1.7
219.13768	34.6
219.15840	1.7
221.15341	1.7
233.15300	1.3
235.13258	14.5
235.16745	4.8
237.14854	3.4
244.80464	1.1
253.14299	1.6
311.09943	1.1
347.23953	1.0
355.00266	1.0
405.27972	1.8
415.25455	1.7
433.27365	2.6
441.29886	2.9
451.28497	5.3
453.29663	1.2
469.29489	16.6
471.30795	6.0
487.30527	57.6
488.31189	1.6
489.31992	2.1
515.29620	2.6
533.31067	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	534.196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.2
53.03936	0.3
54.17163	0.2
69.03421	0.6
69.62029	1.5
72.08120	0.2
79.05474	1.2
81.03414	0.5
81.07031	0.5
85.02892	0.4
91.05470	1.3
93.07030	5.2
93.07885	0.3
95.04965	0.6
98.21423	0.5
105.03380	0.4
105.07009	1.0
107.08558	1.1
109.02841	0.3
113.54464	0.2
121.06441	0.3
121.10127	6.0
127.03947	0.2
131.08507	0.5
132.04440	0.5
149.09593	9.9
150.05493	1.0
160.03824	0.5
163.03876	0.3
178.04965	74.9
179.05258	0.8
206.04453	100.0
207.04805	1.0
271.93527	0.2
283.77353	0.2
347.95483	0.2
358.91537	0.2
368.09659	2.8
516.11157	0.4
516.18585	6.9
516.26105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25101	3.2
53.03940	4.7
55.01854	15.0
55.05492	15.3
56.38644	3.2
57.03418	5.1
57.07039	4.0
59.04982	4.8
67.05476	12.9
69.03416	23.0
69.07051	9.8
69.60145	29.2
70.06580	7.4
71.04978	7.1
73.02927	17.6
79.05464	14.0
81.03394	15.7
81.07026	33.7
83.04955	9.6
83.08592	3.9
84.08121	3.5
85.02892	34.6
85.06524	6.5
86.09704	4.5
86.59057	3.5
87.04443	10.1
87.18510	3.4
89.05984	3.6
91.05450	12.4
93.07014	19.2
95.04946	25.4
95.08613	17.4
97.02872	11.6
97.06506	13.5
99.04433	9.8
99.08038	4.7
101.02366	29.2
103.03906	6.2
105.07026	25.0
107.08566	23.4
109.02848	15.6
109.06509	31.9
109.10132	34.5
109.74490	3.2
111.08032	7.5
119.08572	19.4
120.08036	5.0
121.10107	27.1
123.08036	9.6
123.11691	15.5
125.09624	7.3
127.03898	24.7
129.01762	8.5
131.08534	16.3
133.10110	59.8
133.51318	3.6
135.08072	8.1
137.05945	10.9
139.11165	5.6
140.14436	4.0
143.08575	3.5
145.04941	11.1
145.10049	4.6
147.07875	3.8
147.11653	22.1
149.13203	17.7
151.03877	6.8
151.11137	12.5
153.09053	11.4
158.10930	6.0
163.14781	5.3
165.12666	10.4
167.14273	15.8
173.13251	27.0
175.14799	40.6
191.14299	35.4
193.15807	7.6
206.04439	4.4
207.06609	4.1
209.15334	100.0
213.41617	3.8
227.16322	17.5
232.95866	3.5
261.97876	3.7
273.06046	5.1
287.05347	5.2
374.49893	3.9
516.24390	6.1
531.75848	4.1
535.19641	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	534.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.3
58.06602	0.4
60.08155	6.8
67.05479	0.8
69.07057	0.2
69.91032	1.0
71.07366	3.0
75.65426	0.2
78.41354	0.2
79.05479	0.7
81.07038	0.7
83.04990	0.2
85.90498	0.2
86.09695	32.9
91.05475	0.5
91.76102	0.2
93.07010	0.4
95.04971	0.3
95.08617	0.3
98.98454	2.9
104.10725	4.4
105.07001	0.3
109.10091	0.2
119.08584	0.4
124.99986	21.5
129.06866	0.2
131.83371	0.2
135.04431	0.3
135.11751	0.2
156.81621	0.2
178.43370	0.2
184.07320	100.0
184.45430	0.2
185.07611	0.6
187.73457	0.2
258.11035	0.4
351.25061	0.2
358.49023	0.2
426.82846	0.2
502.08905	0.2
516.30505	1.2
534.32098	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	534.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88271	0.1
53.90953	0.1
55.05526	0.1
55.06892	0.2
56.05023	0.5
57.03423	0.2
58.06611	0.4
60.08157	6.9
64.42763	0.1
67.05495	0.5
69.07050	0.2
70.06573	0.2
70.07156	0.6
71.07362	3.1
79.05491	0.4
81.07034	0.3
86.09695	32.6
87.10020	0.2
91.05482	0.5
93.07011	0.4
98.98454	3.1
104.10733	3.7
105.07019	0.3
107.08568	0.3
119.08613	0.2
120.47681	0.1
124.99986	21.1
131.08533	0.2
143.01007	0.3
146.27809	0.1
184.07320	100.0
185.07652	0.6
491.46692	0.2
498.29962	0.9
511.64520	0.2
516.30835	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
56.05020	1.2
58.06596	1.6
59.07376	0.6
60.08154	18.1
62.32253	0.4
67.05500	1.8
68.67699	0.3
69.07057	1.1
69.73194	3.1
71.07362	6.7
77.14249	0.3
79.05480	2.4
81.03405	0.6
81.07044	1.6
83.08585	0.6
85.02896	0.5
86.09691	53.2
91.05477	2.3
93.07046	2.5
95.04985	0.5
95.08598	1.3
97.06447	0.4
98.21420	0.8
98.98458	3.2
104.10725	100.0
104.48060	0.4
105.07001	1.7
105.11092	0.6
107.08573	1.0
109.10101	0.6
110.08955	0.4
119.08550	1.1
121.10069	0.8
124.99982	28.4
131.08574	0.7
133.10092	0.5
140.39206	0.4
143.01030	0.6
145.10104	0.6
147.11667	0.4
149.52744	0.4
184.07315	97.4
185.07675	1.4
186.07800	0.7
250.81528	0.4
258.10892	0.9
498.29709	7.0
516.30774	33.0
517.30737	0.8
534.30676	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.8
56.05014	0.9
57.03421	0.7
58.06595	1.3
59.07368	0.3
60.08152	14.0
65.13064	0.3
67.05494	2.6
69.07037	0.4
69.44092	1.9
69.44518	1.9
71.07360	6.4
71.08613	1.0
72.08131	0.6
79.05470	1.6
79.05867	0.4
81.07039	2.4
83.04968	0.6
83.08610	0.6
85.77018	0.4
86.09692	47.9
91.05451	1.2
93.07025	1.6
95.08607	0.7
97.06531	0.5
97.10220	0.4
98.98441	3.8
99.08046	0.6
104.10725	100.0
105.07016	1.1
105.11038	0.4
107.04921	0.7
107.08588	0.9
109.06555	0.4
109.10154	0.9
119.08589	1.0
120.25912	0.4
121.10132	1.0
124.99980	23.1
135.11609	0.5
139.07741	0.4
143.01007	0.6
163.01564	0.7
175.68489	0.4
177.12704	0.4
179.14362	0.7
184.07314	85.6
185.07661	0.5
237.95341	0.4
258.11063	1.0
270.69354	0.4
277.21713	0.5
351.25235	0.8
436.27686	0.5
516.30792	5.6
534.31897	27.9
535.32263	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67447	5.1
53.68753	5.3
54.57471	4.9
55.05503	24.6
57.03424	7.1
57.07063	17.1
60.08165	8.4
62.54782	5.7
65.03914	5.2
67.05493	86.1
69.07070	35.4
71.07378	6.5
71.08644	5.5
79.05473	25.7
81.07047	100.0
83.04939	7.0
83.08607	24.4
85.02936	6.6
86.09700	19.5
91.05488	21.1
93.07039	26.1
93.69445	5.6
95.08594	99.3
97.02880	6.3
97.06560	12.8
97.10165	12.8
98.21450	13.4
104.10732	71.8
105.07034	16.2
106.97900	6.2
107.08569	23.3
109.10137	49.5
111.08041	8.3
111.11693	5.4
111.64661	4.7
112.71590	4.8
119.08556	16.7
121.10124	29.2
123.11688	25.7
124.99944	11.2
128.61324	5.9
133.08591	5.9
133.10138	18.9
135.11678	12.5
137.13248	6.7
147.11670	11.8
149.13231	16.0
151.14777	7.8
155.14238	5.4
161.13177	15.1
163.14813	14.1
165.16457	6.1
167.64426	5.2
175.14806	9.0
179.17877	9.7
184.07307	40.4
245.22624	71.7
263.23691	99.7
337.27255	75.7
385.44006	5.4
475.22748	7.3
534.35693	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	534.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	0.4
53.03933	1.4
55.05503	7.5
56.05029	4.4
57.07070	2.7
58.02955	0.4
58.06580	1.0
60.04515	3.4
65.03925	0.9
67.05492	14.1
68.05003	1.6
69.07056	9.0
70.06570	1.6
70.89605	0.7
70.89965	1.0
71.08605	1.5
73.09901	0.4
79.05481	11.7
80.05005	3.1
81.05776	1.6
81.07045	11.3
82.06571	8.1
83.04964	0.5
83.08609	5.2
85.10161	0.8
91.05467	10.2
93.05779	0.7
93.07028	10.5
94.06553	19.4
95.04950	2.0
95.06770	0.7
95.07331	9.3
95.07992	0.7
95.08591	9.2
96.08115	5.0
97.06510	0.6
97.10139	2.8
98.06026	0.5
100.07582	0.4
105.04488	0.5
105.07018	6.5
107.07333	0.5
107.08588	5.3
108.08095	2.6
109.10123	4.7
110.09651	0.8
111.11702	1.0
119.08559	6.4
121.08866	0.8
121.10122	5.7
122.09639	2.5
123.11692	1.2
133.10095	3.9
135.10545	0.6
135.11664	3.9
136.11203	0.7
137.13208	0.9
145.10118	0.4
147.11674	0.9
149.13206	1.1
151.14786	0.6
161.13257	0.7
163.14786	0.8
191.17978	0.5
219.21071	0.5
233.22664	4.5
234.22047	0.6
245.22650	3.6
250.25273	9.3
254.24754	0.5
260.23785	0.6
262.25269	100.0
263.23395	0.8
263.25671	1.2
272.25845	5.3
277.80353	0.4
280.26346	11.0
281.26486	0.4
356.65701	0.4
448.63403	0.4
504.47638	2.2
516.47754	6.7
534.48804	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1075
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03933	1.9
55.01860	1.6
55.05531	0.2
57.03423	1.2
58.87287	0.2
61.02911	0.9
62.06082	0.3
68.99784	1.3
69.03417	6.6
70.06585	0.6
71.04977	1.1
71.71053	0.4
73.02910	1.4
79.05489	0.5
81.03402	7.8
81.07040	0.3
84.08128	0.4
85.02890	11.0
87.00323	0.4
87.00818	4.9
91.03933	0.5
91.05453	0.6
93.07045	0.4
95.04942	0.5
95.08593	0.4
95.31770	0.2
97.02873	3.9
99.04442	2.9
105.01849	3.0
105.03383	0.5
105.07008	0.6
107.04945	0.6
107.08603	0.5
109.02161	0.5
109.02859	6.7
111.00777	0.6
117.01795	1.2
119.04901	0.4
121.02846	2.5
121.10189	0.4
127.03896	8.8
129.01799	0.4
131.04890	0.4
131.08539	0.4
133.02858	0.6
133.10080	0.3
137.02324	0.9
137.05954	0.8
141.06964	0.3
145.04924	3.3
145.06392	0.3
146.05888	0.2
147.02924	0.6
147.04391	1.0
151.03949	0.5
153.01794	3.1
157.06474	0.4
159.02882	4.5
163.03900	0.4
165.01808	1.7
171.04424	0.2
177.05469	0.4
183.02885	0.8
185.05994	0.3
191.14218	0.3
213.05441	1.4
231.04890	1.0
231.06776	0.3
241.04944	0.6
255.03244	0.2
258.05276	1.1
259.05884	0.8
267.75772	0.2
269.04153	0.2
287.05447	100.0
288.05823	3.0
329.06387	0.6
395.07468	0.3
433.53714	0.3
535.21289	2.4
535.28052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1801
Annotation	3,5,7,3',4'-Pentahydroxy-6-prenylflavanone 7-glucoside
Peak:m/z	Relative Intensity
51.02359	0.8
53.03926	1.5
55.01866	6.7
55.05502	1.2
55.82814	0.6
57.03417	2.1
61.02906	1.9
64.41553	0.7
65.03926	4.1
67.05502	3.8
68.99756	1.5
69.03426	7.2
69.07062	0.9
70.06574	0.8
71.01333	0.9
71.04973	1.5
71.59119	0.9
71.59457	1.3
71.85459	0.6
72.08126	0.8
73.02885	1.3
76.02221	3.1
77.03925	0.9
79.05466	2.3
81.03395	4.2
81.07021	1.8
83.04966	1.0
83.08576	0.6
84.04492	2.1
84.08100	0.8
85.02889	12.7
86.09686	0.8
87.04436	1.5
89.03910	2.9
91.03945	1.0
91.05461	3.3
93.03410	2.2
93.07034	3.5
94.04180	1.8
95.04962	3.2
95.08559	1.4
97.02872	5.0
97.06525	0.9
99.04430	1.3
103.05477	2.9
105.07014	1.9
107.04995	0.9
107.08585	1.5
108.02087	1.9
108.08088	0.6
109.02888	3.4
109.06499	1.5
109.10167	0.7
110.03629	1.5
111.04432	7.8
115.05469	1.0
116.01665	1.3
117.03370	8.2
117.06960	1.0
119.04915	2.7
119.08552	2.0
121.06413	0.7
121.10130	2.6
122.03632	5.0
122.06007	0.9
123.04482	0.8
123.08042	0.8
125.05976	9.4
125.06804	1.0
127.03889	3.7
131.04907	7.8
131.08546	1.5
133.02750	0.7
133.06476	1.1
133.10126	1.2
136.07593	1.9
137.05962	85.0
138.06342	0.9
141.04427	0.6
141.05428	3.2
143.04915	2.4
145.02821	23.0
145.04828	1.4
145.06439	1.5
145.10062	1.3
147.04362	4.1
147.11650	0.9
149.05975	4.1
151.03891	100.0
151.04973	8.1
152.04202	1.7
153.05446	11.4
159.04436	1.6
160.05209	1.7
161.05995	4.5
161.13248	0.8
162.02164	2.0
163.03877	0.8
163.07509	3.7
172.03831	0.7
175.07559	3.4
176.04669	1.0
177.05446	44.2
178.04980	2.2
179.04880	1.9
179.07005	6.2
186.05553	1.1
191.06999	5.6
193.04982	1.1
193.08540	1.5
196.68796	0.6
199.11116	0.7
203.07024	2.5
204.06570	1.9
205.06784	1.0
205.08501	3.3
206.04439	3.1
207.06471	0.9
211.08705	1.1
211.13284	0.9
213.10211	0.8
219.06490	20.7
221.08150	2.3
225.10199	1.4
233.06039	1.2
234.06651	0.8
237.09108	2.0
259.09589	2.0
265.08627	2.7
267.10730	0.8
293.08047	0.9
295.10782	0.8
297.11307	2.4
308.09100	2.0
313.11716	2.2
313.64456	0.7
325.10764	2.3
327.12198	1.2
343.11703	15.0
355.11713	1.6
357.83475	0.6
373.12933	23.3
383.14316	0.7
390.04547	0.6
517.31506	0.6
535.18060	93.9
536.18555	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	535.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.2
55.05503	63.2
57.03419	23.3
57.07054	21.4
65.03913	5.6
67.05148	7.4
67.05498	100.0
69.07058	55.9
71.04951	5.6
71.08617	14.4
71.70979	5.7
79.05480	94.4
79.51596	4.5
80.11649	5.0
81.03405	10.6
81.07047	88.4
83.04947	13.0
83.08615	45.7
85.06554	6.7
85.10161	10.2
91.05457	65.6
93.07036	94.8
95.04946	18.9
95.08596	56.9
97.06512	11.2
97.10159	28.7
105.07021	59.9
107.04954	12.3
107.08558	28.6
109.10137	19.0
111.08080	9.7
117.06992	11.5
119.08569	32.1
121.10144	26.3
123.08086	10.7
123.11672	7.2
129.07007	18.1
131.08496	10.5
133.10083	21.1
135.11687	15.9
143.08574	5.4
145.10107	11.5
147.11642	46.2
161.09589	9.3
161.13266	13.9
171.11644	35.0
189.12695	18.2
207.13760	42.9
225.11212	11.4
254.65237	5.3
281.17474	65.8
311.22437	7.7
311.25790	84.6
494.88083	6.0
500.17603	5.4
506.15997	5.6
517.38843	90.8
535.35974	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	535.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71094	2.4
53.03938	4.8
55.01862	4.1
55.05502	30.2
57.00198	2.3
57.03424	6.8
57.07069	55.8
57.24778	2.3
64.87766	2.2
65.03925	3.7
65.38164	2.1
67.05494	54.5
68.97038	2.6
69.07054	22.1
70.66270	9.0
71.04971	3.2
71.08621	35.4
79.05481	36.5
81.03416	15.1
81.07043	54.1
81.07485	4.4
83.04971	4.6
83.08614	21.1
85.06525	3.5
85.10170	17.9
91.05457	18.8
92.39888	2.8
93.07030	29.4
95.04958	33.0
95.08588	40.3
97.06510	6.2
97.10147	8.4
99.11668	2.8
105.07022	12.4
107.04935	26.8
107.08572	12.6
109.06487	3.0
109.10142	22.4
111.08089	3.1
117.07013	11.1
119.08517	3.1
121.06494	10.5
121.10142	4.0
123.11693	6.5
131.08582	8.9
133.10095	7.0
135.08072	2.6
135.11700	5.6
145.10065	3.9
157.43822	2.5
159.11655	3.9
161.09625	4.2
177.12727	6.4
187.11147	3.5
205.12151	11.4
210.37962	2.7
223.13260	71.0
223.15297	4.8
238.54738	2.7
239.23718	9.6
279.15961	6.8
305.71396	2.7
311.26361	4.0
313.27356	14.0
517.38776	4.1
535.39923	100.0
536.40717	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	535.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83913	2.3
52.63753	2.2
53.00296	2.5
53.03939	4.4
55.01852	10.5
55.05502	32.2
57.03423	4.9
57.07064	60.1
66.00876	2.1
67.05495	37.2
69.07053	18.8
71.04980	2.7
71.08618	35.5
71.70993	2.3
71.71355	3.0
73.55292	2.4
79.05479	24.9
81.03406	11.3
81.07040	45.8
83.01328	8.9
83.04964	13.9
83.08607	29.2
85.06532	3.5
85.10172	20.5
85.54431	2.3
91.05463	24.5
93.07032	31.9
95.04951	11.3
95.08591	39.7
97.06507	4.4
97.10154	17.2
105.07002	13.7
107.04938	10.8
107.08574	13.7
109.06472	6.4
109.10140	19.2
111.04430	3.3
111.11713	5.4
117.07006	9.6
119.08539	13.4
121.06522	2.7
121.10128	7.5
123.08054	8.2
123.11700	7.9
125.06004	2.5
129.07002	4.1
131.08553	3.2
133.10094	6.1
135.08069	2.3
135.11678	11.4
137.09644	2.6
137.13242	3.7
145.10088	16.3
147.11703	3.0
153.12708	3.6
155.08601	2.5
163.11153	22.5
171.11661	4.9
173.09583	4.9
209.11684	14.8
227.12787	6.3
238.51384	2.6
253.25253	9.4
254.08743	2.5
281.17404	6.6
311.25757	5.2
317.06277	2.5
517.39160	11.8
535.23108	4.5
535.39874	100.0
536.40607	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	536.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01862	4.2
55.05494	8.8
56.05018	2.6
57.03428	3.9
58.99579	15.6
61.02913	2.4
65.03927	3.6
67.05495	10.2
69.03418	9.5
69.07046	5.2
70.06570	7.0
71.04986	3.8
71.71008	2.6
72.08150	3.0
73.02869	2.1
76.02215	99.9
76.04005	3.5
79.05480	7.9
80.05003	2.6
81.03406	35.1
81.07040	12.5
83.04959	10.1
83.08598	8.7
84.04489	25.8
84.08100	4.4
85.02887	13.4
86.09700	2.3
86.99051	4.7
87.04470	5.1
91.05438	17.2
93.07026	9.4
95.04940	9.6
95.08590	5.3
97.02868	5.5
97.06468	4.0
97.10133	2.6
99.04402	2.8
99.08102	2.1
102.94489	2.2
105.07001	8.1
107.04934	3.0
107.08562	9.6
109.02817	2.6
109.06490	2.9
109.10130	2.2
111.04440	4.4
111.05562	2.3
111.08059	4.4
116.01663	23.5
117.03349	2.5
119.04853	2.5
119.08568	10.7
120.08087	4.1
121.06516	2.5
121.10136	7.3
122.03635	2.4
123.08083	4.1
123.11684	3.9
125.05910	4.2
127.03899	4.4
129.07014	4.6
130.04967	19.3
131.04793	3.3
131.08542	6.7
133.06424	3.1
133.10150	4.8
136.07545	4.1
137.05952	46.1
137.09554	3.9
138.05531	1.6
138.06322	15.5
141.05508	2.7
142.03212	9.1
144.01141	13.3
144.04460	2.0
145.02835	9.7
145.04938	2.7
145.06187	2.8
145.10251	2.1
146.03130	3.9
147.04358	7.0
147.11646	9.2
148.03883	14.8
149.05960	2.5
149.09581	4.2
151.03885	48.8
151.04973	2.5
152.04181	15.1
153.05519	3.9
154.05786	2.4
156.78964	1.9
157.10063	4.1
158.44681	2.1
161.05914	2.5
162.02173	44.2
162.03517	2.2
163.03867	6.3
163.07533	2.3
166.05016	7.1
166.08595	5.1
167.05534	2.2
170.02701	4.0
172.03935	8.7
175.07520	2.8
175.11157	6.4
177.03305	8.2
177.05415	17.5
178.04799	32.9
179.04823	100.0
193.12242	19.3
194.15346	2.3
203.06981	5.3
204.06532	14.1
205.08522	3.7
206.04465	41.2
211.13269	29.9
215.04652	2.3
217.15843	6.9
218.78142	2.1
219.06464	6.7
220.06821	4.5
221.08081	2.7
227.11641	2.1
233.05888	26.7
241.09749	2.8
245.05859	2.6
255.11198	4.7
258.04205	2.1
265.84503	2.0
269.20013	2.4
273.12320	3.4
283.10757	4.0
287.10468	2.4
291.06235	3.1
299.06088	6.4
301.11874	11.7
302.12305	2.3
308.09048	92.2
314.12457	2.1
326.89508	2.1
339.12427	2.6
342.11743	3.1
343.12665	9.8
344.11963	6.2
357.13538	5.8
368.09613	2.4
373.13226	4.6
374.14032	15.0
375.14517	3.3
448.53088	2.2
518.19183	2.9
536.18396	56.2
537.19226	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	536.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09237	0.7
54.14706	0.7
55.05502	1.1
55.21310	0.7
57.03434	5.1
64.42516	0.7
67.05496	1.9
69.03419	14.4
70.06570	0.8
71.70698	0.7
71.71043	0.8
79.05466	1.1
81.03411	1.3
81.07030	1.6
83.04949	2.3
85.02900	9.3
85.21255	0.7
87.04463	9.5
91.05441	1.3
93.07035	1.8
95.04955	1.2
95.08582	2.8
97.02870	12.0
99.08047	1.0
105.07010	1.2
107.08604	1.1
109.02797	0.8
109.06503	2.7
111.04423	1.2
115.03912	14.1
117.03398	0.7
119.08569	1.8
121.10155	4.2
123.08049	100.0
124.08379	0.8
127.03909	1.5
129.10236	0.6
131.04912	0.8
133.04951	11.4
135.11653	0.7
137.05965	1.3
137.09605	1.7
145.04953	1.7
145.10066	1.0
147.04437	0.9
147.08061	1.1
149.09631	2.0
151.03883	0.8
151.11172	0.8
163.03865	0.9
163.11119	1.7
167.10689	1.4
181.12207	11.9
189.12645	0.9
207.13799	4.0
212.12753	0.7
224.12750	1.6
225.14803	25.4
242.13855	1.4
270.45206	0.8
277.09299	0.7
299.05972	0.7
385.52512	0.9
404.19073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80796	1.1
52.21526	1.1
57.03430	3.7
67.05495	2.3
69.03415	12.1
69.07047	1.7
70.58911	4.4
71.04990	1.3
79.05476	1.4
81.03416	1.5
81.07046	3.8
83.04972	3.7
85.02895	10.1
87.04456	8.6
95.04932	1.7
95.08595	3.3
95.20758	1.1
97.02886	11.9
97.06521	1.5
105.07005	2.5
107.08575	1.5
109.06528	3.3
109.09035	1.3
111.04469	1.4
115.03902	12.8
119.08496	1.7
121.06500	1.8
121.10125	4.5
123.08050	100.0
123.11666	1.9
133.04948	14.5
135.04446	1.4
135.11668	1.7
137.09636	1.2
145.04837	1.4
146.61909	1.3
147.04379	2.1
147.11581	1.3
149.09639	2.4
151.11159	8.9
155.69751	1.2
163.11211	2.1
167.10648	2.3
170.10992	1.1
177.10019	1.1
178.04967	31.7
178.06401	2.3
179.05356	1.3
181.12189	10.1
183.06482	2.2
184.74750	1.3
189.12921	1.2
190.51303	1.1
201.73842	1.3
206.04445	52.0
207.04800	1.9
207.13779	8.5
225.14819	47.2
252.04739	1.3
368.09698	2.4
391.15103	1.4
536.20911	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	536.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
56.05021	0.5
56.99590	0.1
58.06350	0.2
58.06617	0.5
60.08155	6.9
60.64707	0.2
67.05500	0.8
69.07056	0.4
69.62976	1.2
70.06590	0.2
71.07370	2.4
76.54852	0.2
79.05466	0.4
81.07068	0.8
86.09695	31.2
88.94799	0.2
91.05829	0.2
93.07011	0.4
95.08607	0.3
98.20693	0.3
98.81486	0.2
98.98438	2.7
104.10728	4.5
105.07026	0.2
107.08604	0.2
109.10118	0.2
113.94719	0.2
119.08603	0.2
124.99986	20.6
127.06514	0.2
139.91557	0.2
143.01009	0.3
159.11652	0.2
167.05548	0.3
184.07318	100.0
184.53810	0.2
185.07669	0.3
237.85881	0.2
283.02991	0.2
284.67322	0.2
299.06073	0.7
344.97638	0.2
379.03613	0.2
500.31302	0.8
518.32336	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	536.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55938	0.5
55.05501	0.5
56.05019	1.3
57.03412	0.5
58.06594	1.2
60.08152	17.8
61.02929	0.5
67.05487	4.4
69.07066	0.5
70.71962	0.7
70.72315	1.5
71.07357	6.2
72.15480	0.4
73.04774	0.6
79.05481	1.7
80.12752	0.5
81.07047	2.1
86.09688	54.7
87.10007	0.8
91.05437	0.6
93.07028	2.4
95.08591	1.4
98.98437	3.6
104.10722	99.4
105.07024	1.2
107.08605	1.2
109.10159	0.8
112.87495	0.5
119.08546	0.6
124.99978	29.8
131.08519	0.6
133.10150	0.5
163.01570	0.5
167.05507	0.6
184.07307	100.0
185.07672	2.3
186.07751	2.1
212.79144	0.5
228.60959	0.5
258.11057	1.1
299.06119	1.6
386.75040	0.5
500.31216	7.0
518.32330	37.5
536.31860	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51242	0.2
53.03928	1.1
55.01863	0.6
55.05504	1.9
57.03421	0.3
64.11185	0.2
67.05489	4.0
69.03417	2.2
69.07062	1.7
69.21570	0.2
69.90270	0.2
71.04971	1.6
71.71306	0.3
72.83479	0.2
77.03920	0.3
79.05479	2.6
81.03403	4.8
81.07047	7.3
83.04964	1.4
83.08602	1.1
85.02895	2.1
85.06519	1.4
89.03866	0.4
91.05457	3.3
93.07036	3.4
95.04945	0.8
95.08590	8.3
97.02879	2.2
97.06530	1.9
97.10130	0.8
99.04440	0.8
99.08057	0.7
103.05437	0.3
105.03387	0.5
105.07009	3.1
107.04957	0.2
107.08597	1.4
107.38738	0.2
109.02848	2.6
109.06477	0.6
109.10153	1.2
111.04409	0.5
111.08031	0.5
113.09599	0.2
116.01606	0.3
117.06962	0.4
119.08545	3.6
121.10134	1.2
123.04416	8.6
123.08038	0.7
125.09570	0.3
127.03891	2.9
129.06931	0.3
131.08591	0.5
133.02831	8.1
133.06427	0.4
133.10110	2.3
135.04385	1.5
135.08006	0.5
135.11679	1.6
137.05925	0.5
137.09544	0.4
137.13225	0.8
143.08484	0.3
145.04932	0.5
145.10130	0.6
147.04349	0.3
149.13258	0.6
151.03882	4.2
151.07516	0.5
157.12021	0.3
159.11691	0.4
161.13234	5.8
171.11584	0.2
173.11748	0.5
173.13208	0.6
175.14787	0.4
177.12701	0.4
178.53389	0.2
179.03369	100.0
179.14294	4.5
180.03748	1.6
197.15309	1.2
199.14949	0.3
209.15433	0.3
214.52039	0.2
237.14734	0.4
239.16466	0.4
287.16397	0.8
305.17404	1.5
323.18475	2.9
341.19559	1.2
374.14600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.01850	0.4
55.05503	1.7
55.11029	0.3
57.03407	0.3
57.07033	0.3
60.07101	0.3
66.04277	0.3
67.05501	3.4
67.43027	0.3
69.03425	2.0
69.07064	2.0
71.04974	1.2
76.41829	0.3
76.52952	0.3
79.05479	2.1
79.60471	0.3
80.47819	0.3
81.03410	4.1
81.07046	5.6
83.04953	0.9
83.08592	1.2
85.02876	1.2
85.06523	1.1
91.05421	2.2
93.07037	2.5
95.04948	0.8
95.08588	5.9
95.72128	0.3
97.02896	2.0
97.06529	2.1
98.21458	0.7
99.04417	0.9
99.08073	0.5
105.03398	0.6
105.07011	3.5
107.04921	0.5
107.08579	1.3
109.02203	0.3
109.02850	2.3
109.06495	0.7
109.10116	1.1
111.04391	0.7
111.08055	0.7
117.03301	0.4
117.06996	0.7
119.08569	3.2
121.06572	0.4
121.10102	0.8
123.04414	8.6
123.07986	0.4
127.03896	3.8
129.06999	0.5
131.08551	0.7
133.02834	8.6
133.10104	2.2
135.04346	1.4
135.11659	1.4
137.09612	0.3
137.13232	0.9
144.84135	0.3
145.04965	0.5
149.13229	0.4
151.03880	3.4
159.08034	0.3
159.11644	1.0
161.13234	5.3
177.12729	0.5
179.03368	100.0
179.14293	4.3
180.03712	1.2
185.13142	0.4
195.13794	0.6
197.15302	2.2
209.13255	0.4
219.13806	0.4
237.14760	0.3
257.08139	0.3
265.73221	0.3
287.16452	0.5
300.25137	0.3
305.17459	1.3
323.18530	3.5
341.19623	1.3
371.37381	0.4
420.54483	0.4
443.83548	0.3
493.19867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	4.2
53.03924	2.8
55.01850	3.3
55.05240	1.2
55.05502	20.7
57.03433	1.5
57.07065	38.5
59.04980	3.1
59.08698	0.7
65.03918	1.7
65.33640	0.8
67.05135	1.5
67.05494	25.8
68.41374	0.8
69.03398	3.0
69.07056	13.6
69.62189	6.6
71.01334	1.7
71.04977	1.4
71.08618	26.5
79.05478	13.0
81.03421	5.4
81.07041	33.5
83.04961	2.5
83.08604	22.1
85.06503	1.4
85.10162	17.4
86.57921	0.6
91.05456	21.7
93.07034	15.1
95.04955	5.5
95.08589	28.6
97.02859	3.7
97.06499	2.4
97.10155	9.0
99.00805	13.6
99.04427	1.0
99.11732	0.9
103.05399	1.5
105.07011	16.7
107.04910	4.8
107.08570	7.8
109.02856	8.5
109.06495	2.4
109.10137	16.1
111.04376	2.3
111.08082	2.2
111.11684	2.0
113.05962	0.9
115.03908	2.3
117.06992	2.9
119.04917	0.9
119.08559	7.1
121.02874	0.9
121.06477	6.2
121.10130	2.3
123.04405	1.6
123.08012	0.9
123.11692	7.3
125.13245	1.3
127.03896	2.4
128.06227	2.2
129.07018	0.8
131.08546	2.5
133.06450	1.9
133.10104	27.6
135.08061	1.6
135.11653	2.3
136.85133	0.7
137.05937	1.4
137.09616	1.3
137.13226	2.4
139.07533	2.8
143.08507	4.7
145.06401	0.9
145.10034	2.0
147.08043	1.1
151.11147	9.3
151.14696	1.2
161.09579	18.0
163.11131	0.8
165.09126	1.3
167.05362	0.8
171.08095	4.5
179.10612	11.9
181.18787	0.7
189.09085	11.0
197.11725	4.5
207.10118	5.3
212.62564	0.7
225.11169	17.0
225.96861	0.7
239.23654	9.2
243.12286	2.5
281.13846	4.7
537.37787	100.0
538.38080	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	537.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06746	3.1
53.03941	7.6
55.05493	22.7
57.03426	15.3
57.06834	4.2
57.07067	51.4
66.87547	3.7
67.05494	63.9
69.07071	19.2
69.25754	3.4
69.50959	22.2
69.51380	11.3
71.08624	28.8
79.05481	75.7
81.03396	12.2
81.07045	56.6
83.04970	13.6
83.08611	16.4
85.06548	3.9
85.10154	21.3
91.05460	50.0
93.07036	69.3
95.04963	19.4
95.08580	47.0
97.06510	4.1
97.10160	10.6
98.20724	8.2
105.07027	34.7
107.04973	5.2
107.08555	21.8
109.06461	6.5
109.10133	11.9
111.84145	3.4
117.06989	8.4
119.08535	20.1
121.10118	3.7
123.08006	5.5
129.07013	19.1
133.10106	11.7
143.08536	5.0
145.10115	10.4
147.08061	6.7
147.11674	48.3
152.88289	4.6
161.13231	10.0
171.11708	30.2
189.12756	12.1
207.13802	36.6
212.72708	3.6
218.05656	3.6
239.23891	3.7
281.17398	76.5
313.27322	83.5
397.24628	3.6
464.10742	4.1
519.40405	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65750	1.7
53.03927	6.2
55.05501	20.0
57.03429	15.2
57.06801	2.2
57.07068	35.5
65.03935	3.1
67.05494	55.2
67.67881	1.6
69.03397	2.4
69.07057	19.0
69.50648	11.9
69.51070	4.8
71.08624	26.4
75.26099	1.8
79.05021	3.2
79.05480	62.7
81.03395	8.0
81.07040	44.0
83.04951	14.9
83.08611	18.5
85.06528	3.6
85.10162	12.5
90.07091	1.7
91.05463	41.3
93.07034	52.7
95.04953	17.3
95.08586	36.0
97.06505	4.4
97.10136	8.3
98.20728	3.8
105.07018	34.9
107.04904	2.9
107.08596	12.2
109.06499	6.7
109.10122	11.8
109.12495	1.9
111.08063	2.1
115.05428	1.9
116.62636	1.8
117.06991	5.0
119.08565	20.3
121.06478	4.5
121.10125	3.3
121.72432	1.6
123.08072	5.8
123.11687	3.3
129.06984	13.9
131.08562	4.1
133.10098	10.3
135.11661	3.0
143.08549	5.3
145.10101	8.2
147.08008	3.9
147.11667	31.9
161.09618	4.3
161.13252	9.4
163.11148	2.0
171.11668	25.5
185.10756	1.7
189.12724	11.5
200.15245	1.7
207.13766	32.3
225.14787	5.9
239.23656	7.3
255.59569	1.9
263.94351	1.9
281.17422	100.0
313.27313	60.9
313.30988	3.0
519.40369	93.8
537.37402	3.6
563.86041	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41868	2.1
53.00307	2.2
53.03917	9.8
55.05497	25.3
57.03421	15.0
57.07063	54.0
65.03919	3.0
67.05139	3.1
67.05492	56.4
69.07052	19.3
69.45591	8.4
69.46028	13.3
71.04961	3.1
71.08622	35.1
79.05479	76.3
81.03408	11.4
81.07042	62.5
83.04960	15.6
83.08594	17.7
85.06510	3.2
85.10159	17.9
91.05456	65.5
93.07027	78.2
95.04948	23.6
95.08587	40.8
97.02827	2.6
97.06550	4.7
97.10184	5.3
103.05441	2.4
105.04585	2.3
105.07014	45.4
107.04930	9.6
107.08563	15.5
109.06490	9.2
109.10143	15.5
117.06992	7.3
119.08559	25.3
121.06443	3.2
121.10136	4.6
123.08038	6.3
123.11665	3.0
128.06213	3.1
129.06995	14.7
131.08568	5.6
133.10103	8.6
135.11642	3.4
138.51340	2.1
142.41743	2.1
143.08533	8.9
145.10097	13.7
146.66391	2.3
147.08032	2.9
147.11647	38.8
149.84186	2.2
161.09599	5.5
161.13283	11.8
171.11671	33.6
188.90504	2.2
189.12706	14.6
202.42592	2.5
207.13760	35.7
210.59557	2.2
239.23579	4.2
281.14902	1.4
281.17410	66.5
313.27307	79.2
519.40369	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	5.8
53.85540	5.0
55.05491	19.3
55.29605	5.3
57.03417	9.5
57.07063	46.9
65.03912	4.3
67.05498	56.1
69.07055	21.6
69.52808	40.1
69.53230	8.4
71.08617	25.4
79.05481	57.5
81.03370	10.6
81.07038	52.0
83.04953	11.1
83.08595	13.5
85.10154	18.5
88.10324	4.6
91.05468	47.1
93.07023	63.7
95.04955	22.9
95.08591	35.8
97.10142	6.3
98.21410	7.5
105.07006	40.2
107.04912	7.8
107.08585	15.9
109.10106	9.3
117.07011	5.4
119.08560	22.6
119.20203	4.9
129.06960	13.3
133.10103	10.1
143.08525	6.0
145.10092	8.0
147.11661	32.1
153.04590	5.6
161.13274	10.6
171.11629	32.8
189.12643	15.3
207.13799	39.0
240.90952	8.8
281.17447	56.5
281.91092	8.5
282.27902	7.8
313.27283	72.5
360.83310	4.7
391.65323	5.4
519.40393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01866	1.4
65.03928	2.8
67.05486	2.8
69.03402	2.4
69.07034	2.6
70.06581	1.5
71.04991	1.5
71.70309	2.5
75.78266	1.0
79.05471	4.2
80.04992	1.7
81.03378	2.6
81.05777	1.1
81.07024	4.6
82.06563	2.4
85.02879	3.7
86.09716	1.4
91.05446	4.6
93.07042	10.2
94.06554	11.9
95.04947	3.4
95.07317	8.6
95.08575	3.9
96.08115	23.0
97.02873	2.1
97.06534	3.4
99.04439	1.1
103.05439	2.7
105.05688	1.2
105.07021	1.9
107.04870	1.3
107.08556	1.7
108.08102	13.1
109.10120	1.6
110.09663	39.0
110.10423	1.8
116.04953	4.0
116.43793	1.2
118.06535	1.7
119.04922	3.7
119.08524	2.1
120.04456	6.7
120.07289	2.1
120.08088	25.1
120.08890	1.0
121.10075	2.0
122.05997	4.9
123.11689	2.1
124.07560	7.9
125.09577	1.0
126.01020	2.1
133.10097	1.5
136.07571	11.1
137.06007	2.9
138.05489	5.6
138.09116	46.7
138.70313	1.2
144.02086	5.8
144.04401	8.0
146.05998	6.5
147.04395	19.4
148.07512	6.8
149.09619	1.5
150.05414	2.0
150.09126	2.0
152.07027	1.8
159.11700	1.2
160.03857	2.1
162.05478	3.1
164.07095	1.2
165.05418	1.3
166.04933	5.3
166.08603	100.0
172.03912	39.8
177.05507	1.4
190.04962	17.8
191.14261	1.5
192.06491	1.5
197.10692	1.7
198.11456	1.4
204.06508	13.1
206.89378	1.1
207.13643	1.4
209.10692	4.1
211.08536	1.0
212.09401	3.0
216.06573	1.8
220.07552	1.4
222.07834	1.7
222.11397	1.6
223.08595	2.4
224.09468	3.3
225.10121	5.6
227.11821	2.2
233.10703	1.2
236.09363	2.7
236.64899	1.2
237.10178	19.3
238.10905	3.8
239.08110	3.3
239.11678	3.8
241.09627	4.3
249.10149	2.6
250.07237	1.2
251.08160	1.5
251.11752	8.2
252.08882	2.4
253.09608	9.1
253.13359	1.5
255.11160	1.8
263.11856	1.9
264.08862	1.7
265.09631	23.6
266.10388	4.7
267.11310	3.6
268.08276	1.2
271.10675	3.0
273.12332	7.5
278.06488	10.4
279.07968	1.5
279.11212	11.4
280.08554	1.9
280.11945	1.7
281.09177	3.8
281.12863	3.5
283.10727	8.4
285.12268	2.9
292.08133	2.8
293.09143	31.1
294.09882	4.5
295.10760	2.9
296.11365	1.5
297.12347	7.4
299.10266	4.4
300.10941	1.6
307.10703	4.5
309.12247	4.3
311.10120	5.0
312.10999	4.7
313.11749	9.0
313.58054	1.2
325.11758	20.0
327.13293	1.9
335.10117	7.8
340.10483	4.5
341.11209	29.8
343.12872	3.5
353.11252	25.1
357.14035	2.1
373.13763	7.3
385.13733	6.1
395.09705	2.3
401.69763	1.2
418.17566	1.5
460.18817	6.6
465.18854	11.3
478.19727	10.0
488.18091	15.1
506.19189	61.4
507.19348	2.0
538.21558	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	538.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.3
55.01856	3.5
56.62487	1.8
57.03405	2.3
61.02895	2.3
63.42542	1.8
67.05474	2.4
69.03425	6.5
69.21250	2.0
70.06580	2.2
71.24780	5.9
77.20039	2.2
79.05505	2.8
80.83054	2.0
81.03388	4.5
81.07042	2.5
85.02910	13.4
91.05476	9.1
93.07020	3.0
94.04166	3.3
95.04948	3.5
96.08086	3.4
97.02878	5.6
101.16723	2.3
103.05438	8.5
105.07011	5.6
107.04945	4.7
108.08160	2.7
109.06511	3.0
110.09652	4.7
117.06998	2.1
119.08571	4.8
120.08099	6.5
121.10174	2.7
122.03621	4.6
124.07576	3.6
127.03905	6.0
128.06221	2.5
129.06992	4.0
131.04932	16.6
132.05707	5.0
133.06496	7.0
133.10091	2.4
136.07538	3.4
137.05951	100.0
138.09135	6.0
145.06508	3.5
147.04454	3.3
147.08046	8.8
149.06032	2.8
151.07585	2.6
152.07042	2.8
160.05182	5.7
161.05978	10.7
163.07506	21.9
166.08575	15.2
172.03944	3.3
175.07516	71.1
176.08095	2.2
187.07521	6.7
189.09094	2.7
190.05072	4.0
191.08479	6.1
193.08617	7.7
199.07509	3.9
201.09195	2.4
203.08539	4.8
219.08037	6.2
231.08014	4.4
247.07365	4.2
248.08258	3.3
251.10580	11.8
259.07581	5.1
265.09683	2.9
279.10165	11.5
288.05701	2.8
289.06277	2.2
290.06311	2.8
291.10147	6.7
293.08978	4.4
311.12741	26.7
316.06821	2.9
319.91891	2.6
323.12738	13.8
325.14594	3.8
353.11411	3.0
506.19150	7.4
551.67114	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.26571	2.5
69.03437	4.4
69.47832	26.6
79.05453	3.1
80.64407	2.5
81.07021	3.0
84.91732	2.5
85.02883	11.6
91.05485	6.4
93.07027	3.2
97.02872	2.7
98.21442	5.5
99.04487	3.1
103.05476	10.0
105.06979	4.2
107.04962	2.3
108.98711	2.4
109.02895	3.6
110.09660	2.9
117.06994	4.0
119.08577	4.8
120.08019	2.8
122.03641	6.1
129.06967	3.8
131.04915	10.9
132.05751	3.3
133.06439	4.3
137.05965	100.0
147.08047	10.3
157.06482	4.0
159.07925	3.5
161.05974	13.5
163.07532	23.8
166.08624	7.0
172.03903	4.4
175.07529	73.8
187.07530	5.6
191.08522	4.1
193.08624	5.7
199.07564	6.3
219.08034	9.2
231.08009	5.6
247.07425	3.2
251.10696	8.7
279.10251	7.1
290.06357	2.5
291.10147	6.3
311.12808	29.2
323.12683	17.2
325.14151	3.4
341.14233	3.3
366.13525	2.9
506.19199	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	538.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83028	3.7
55.05494	11.1
55.50898	3.7
57.03432	7.6
57.07066	4.1
59.04996	5.3
62.93079	3.7
67.05469	8.6
69.03416	30.8
70.56617	12.6
70.56995	7.0
71.04983	5.8
73.66079	3.9
76.67945	3.7
79.05463	8.2
81.03401	7.9
81.07032	17.5
83.04961	25.1
83.08592	12.8
83.16763	4.3
85.02896	24.0
85.06516	8.5
87.04440	17.7
91.05436	8.7
93.07032	11.2
93.73871	4.0
94.04149	3.7
95.04946	11.7
95.08578	17.2
97.02888	21.9
97.06487	16.2
99.04453	5.7
105.07005	16.9
107.08588	21.0
109.02899	4.0
109.06479	18.2
109.10129	31.3
111.08079	4.7
115.03908	17.8
115.07553	4.5
117.07014	4.0
119.08572	7.5
121.10126	23.1
123.08057	8.9
123.11677	11.0
125.09618	4.9
127.03860	7.8
131.04898	4.5
131.08513	8.9
133.04953	20.3
133.10112	39.9
135.08005	5.2
135.11612	4.0
137.05956	17.1
139.11098	5.4
140.53239	4.4
145.10120	5.1
147.11630	12.2
149.13234	9.9
151.03905	6.0
151.11180	17.3
153.09056	9.4
163.14777	6.7
165.12762	6.1
167.14236	21.1
173.13231	17.0
175.14783	9.0
178.16629	6.0
179.09222	4.7
191.14285	25.8
209.15335	100.0
209.17264	6.7
227.16339	15.8
229.68251	3.8
249.61142	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	539.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	13.0
55.01868	21.9
55.05506	48.1
57.03431	24.8
57.07067	92.1
59.04956	3.1
61.02903	4.9
65.03932	3.5
65.44176	2.7
67.05496	77.9
69.03418	53.1
69.07059	32.7
71.01340	3.8
71.04980	7.4
71.08623	78.0
71.23268	2.6
73.02908	51.3
75.02380	3.0
75.04483	6.6
79.05489	46.1
81.03402	47.4
81.07047	89.4
83.04974	22.7
83.08610	45.4
85.02888	48.2
85.06555	4.9
85.10173	39.1
85.32993	3.0
87.04455	3.6
90.56316	2.9
91.05461	42.3
93.07038	36.0
95.04968	11.7
95.08590	81.5
97.02875	17.9
97.06526	6.4
97.10151	31.7
99.04437	25.9
103.05479	3.3
105.07021	28.1
107.04932	8.2
107.08570	22.1
109.02129	2.2
109.02866	63.3
109.06524	3.2
109.10138	41.0
110.03663	12.6
111.04430	62.6
111.11715	6.2
115.05451	3.1
117.07008	12.3
119.08566	22.4
119.20425	2.7
121.06485	3.9
121.10136	12.7
122.79939	2.7
123.08039	3.0
123.11694	16.4
125.09623	9.4
125.13250	4.6
127.03903	34.3
128.06238	3.1
129.07002	10.4
130.07779	3.5
131.08505	13.4
132.99516	28.1
133.10118	10.6
135.08044	5.1
135.11703	11.0
137.13251	11.0
139.11176	3.5
143.08569	10.7
145.10135	14.1
147.11639	11.8
151.00633	8.8
151.11206	3.2
151.14766	4.0
155.00047	3.8
155.08575	6.4
157.10071	7.2
159.11804	4.0
161.13283	6.3
163.11237	6.4
167.00093	3.9
169.10100	3.7
171.11693	15.0
172.99017	5.3
177.29147	3.4
181.10088	3.5
183.11688	5.3
191.00053	30.8
191.10663	4.9
195.11746	4.4
207.13774	3.3
209.01114	13.8
209.11600	20.3
221.22609	7.0
227.12772	8.0
239.23676	100.0
245.13803	3.7
257.24704	14.5
259.20618	4.8
265.03683	4.6
281.17514	5.5
283.15417	9.7
313.27347	53.5
315.23312	5.8
355.28421	3.3
447.32623	6.5
521.36584	3.7
539.28711	52.5
539.38446	62.6
540.29370	3.3
543.36200	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	539.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59011	0.6
53.00232	0.5
53.03935	2.7
55.01858	2.4
55.05505	14.4
57.03435	3.8
57.07062	2.5
59.04992	1.1
59.80457	0.6
65.03926	1.7
65.31601	0.5
67.05495	25.7
69.07056	11.2
69.72761	4.3
71.04990	1.8
71.08611	0.7
72.23684	0.5
74.74174	0.5
79.05484	22.7
81.03392	1.6
81.07044	25.3
83.04961	3.1
83.08605	6.6
85.06535	2.2
91.05469	27.0
92.05833	0.7
93.07031	22.8
95.04961	4.0
95.08592	13.7
97.06514	2.2
97.10157	3.6
99.08025	1.4
103.05457	1.1
105.07015	21.3
107.08569	8.8
109.06496	1.5
109.10150	6.3
111.08068	1.2
115.05457	1.5
117.07001	10.5
119.08566	16.0
121.10130	6.2
123.08053	1.3
123.11740	0.6
125.09606	1.9
128.06184	3.5
129.06981	13.1
130.07748	1.3
131.08542	14.3
131.09453	1.1
133.10115	7.6
135.11690	4.4
137.09653	1.1
141.06972	7.4
142.07831	3.0
143.08546	14.8
145.06444	1.0
145.10091	13.1
147.11681	8.3
149.09596	0.7
149.13229	1.5
153.06969	2.5
154.07764	1.9
155.08531	17.9
156.09274	1.8
157.10118	13.0
159.11700	7.4
161.09654	1.1
161.13254	3.2
165.07007	2.7
166.07819	1.1
167.08536	8.5
168.09329	2.6
169.10112	19.5
170.10883	0.9
171.07968	0.7
171.11661	14.1
173.09709	0.7
173.13301	4.2
175.14917	0.8
178.07829	0.7
179.08556	3.9
180.09372	1.6
181.10094	14.4
182.10954	2.2
183.11668	17.5
184.12474	0.7
185.09631	0.7
185.13208	7.8
187.11127	1.1
187.14851	1.9
189.12744	0.9
191.08568	1.1
192.09389	0.7
193.10123	5.0
194.10870	1.9
195.09903	0.5
195.11659	14.4
196.12439	1.0
197.13225	11.4
197.14920	1.0
199.14745	5.1
199.33789	0.7
201.12723	0.8
205.10124	1.5
206.11171	0.6
207.11702	3.9
207.13799	2.0
209.13210	9.4
210.14046	1.0
211.14767	6.2
213.13002	0.6
213.16403	2.7
219.11687	2.0
221.13222	3.6
222.14017	0.8
223.14786	6.1
225.16422	3.5
227.17949	1.0
231.17491	0.7
233.13295	2.1
235.14732	3.7
235.70644	0.7
237.16492	3.4
239.17970	0.8
241.19499	2.5
247.14799	1.6
247.17023	1.1
249.16399	1.9
251.18054	1.0
253.19510	0.8
257.19031	1.7
259.20609	2.7
261.16333	1.5
263.17981	1.7
267.17316	0.9
267.20508	0.6
277.19379	1.1
281.17270	0.7
283.20673	0.6
293.19177	0.9
295.20502	1.8
297.18533	0.7
297.21848	0.8
305.22687	0.8
307.20419	2.0
309.22147	1.5
311.19867	1.5
313.21625	0.9
315.23248	2.4
321.22147	2.7
323.23810	2.7
327.23203	1.2
335.20074	0.8
335.23538	2.9
337.25140	1.0
339.23068	1.3
349.21545	1.0
349.25375	2.0
351.23181	1.1
353.24725	1.9
363.27081	0.9
365.24719	0.9
367.26193	0.8
373.25064	1.0
379.26334	1.0
393.27161	0.7
419.33249	1.0
429.31528	5.9
447.32568	22.5
465.33679	10.0
483.34503	4.7
485.34232	1.7
503.34985	2.6
521.36237	12.8
539.37292	100.0
540.37415	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.01852	2.0
55.05503	16.9
57.03423	2.9
57.07080	1.4
65.03922	1.6
67.05137	1.6
67.05495	26.1
68.08409	0.7
69.07059	12.7
71.04980	1.8
79.05479	27.2
81.07046	24.4
81.07407	0.4
83.04974	3.3
83.08614	7.9
85.06525	1.4
91.05465	28.5
93.07031	23.9
95.04961	5.7
95.08591	18.8
97.06512	2.2
97.10137	3.8
101.81753	0.7
103.05447	0.8
105.04527	1.1
105.07012	24.3
107.04926	1.6
107.08581	9.9
109.06500	1.9
109.10149	5.4
111.08048	1.9
115.05449	2.3
117.07008	12.8
119.08558	17.8
119.92725	0.8
121.06500	1.2
121.10114	6.4
123.08022	2.0
123.11662	1.4
125.09620	1.9
128.06181	5.0
129.06981	14.0
131.08551	15.3
133.10110	10.7
135.08063	0.7
135.11694	3.7
141.06946	8.5
142.07761	3.0
143.08546	18.8
145.10088	14.8
147.08090	1.0
147.11664	7.5
149.13258	1.3
153.06996	2.9
154.07755	2.9
155.08536	15.8
156.09372	2.3
157.10117	12.5
159.11665	8.5
161.09621	1.5
161.13185	4.3
163.11140	1.2
165.07002	2.7
166.07755	1.5
167.08540	8.6
168.09303	3.4
169.10101	20.6
170.10870	0.8
171.11649	13.2
173.09737	0.8
173.13239	5.0
175.11180	0.7
179.08522	3.4
180.09380	1.6
181.10088	14.4
182.10890	1.6
183.11665	16.1
185.13246	8.5
187.11143	0.8
187.14822	1.4
189.12782	1.0
191.08475	0.8
192.09346	0.9
193.10115	4.7
195.11662	13.3
196.12329	1.0
197.13237	11.3
199.13208	1.1
199.14789	5.5
205.10118	1.8
206.10976	1.2
207.09898	1.0
207.11697	4.7
207.13754	2.5
208.12518	1.1
209.13231	11.2
211.11331	0.8
211.14809	6.5
213.16360	2.5
218.10999	0.8
219.11620	2.0
221.13177	3.8
223.14784	6.0
225.16400	1.9
233.13266	2.1
235.14857	4.2
237.16342	2.5
239.14246	1.3
239.18053	1.6
241.19572	1.5
247.14772	1.9
249.16383	2.3
251.18053	1.1
257.19064	0.9
259.20538	3.3
263.17896	1.4
265.19653	1.1
267.20929	0.7
275.17761	0.9
277.19531	0.8
281.17697	0.7
281.19138	0.8
283.20676	1.2
291.20990	0.7
295.20541	2.0
297.18741	0.7
303.21207	0.8
307.20804	1.3
309.22168	2.1
313.21735	1.4
315.23157	2.8
319.15039	0.7
321.22098	3.6
323.23682	2.3
327.23169	1.3
333.22107	1.4
335.23676	3.1
337.25247	1.5
339.23206	2.1
349.25201	1.4
351.23090	1.1
353.24777	1.8
361.25217	0.8
365.24701	0.9
379.26291	0.9
391.26089	0.9
402.17081	0.7
419.33182	1.4
429.31427	5.3
437.33902	1.0
445.65140	0.8
447.32574	23.1
465.33603	9.7
483.34824	5.5
485.34161	2.0
503.35260	2.9
521.36176	12.9
539.37268	100.0
540.37604	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	539.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01853	2.4
55.05236	0.9
55.05500	14.6
57.03426	3.1
57.07056	1.2
61.40189	0.6
65.03928	1.6
65.39564	0.6
65.83101	0.5
66.90782	0.6
67.05492	26.3
69.07056	12.6
69.66331	1.4
69.66729	4.2
71.04988	1.5
73.06940	0.6
75.06437	0.6
79.05014	1.3
79.05477	21.9
81.03381	1.2
81.07045	22.8
83.04965	2.6
83.08599	4.4
85.06508	1.6
90.18605	0.7
91.05466	23.7
91.06041	1.2
93.07030	19.7
95.04960	5.6
95.08588	14.8
95.09188	0.8
95.56278	0.6
97.06521	2.1
97.10152	2.7
98.20705	1.1
99.08070	1.1
103.05484	1.3
105.07011	21.0
105.07719	1.2
107.04927	1.3
107.08575	9.6
109.06510	1.8
109.10140	5.9
111.08047	1.3
115.05421	2.3
117.06992	10.9
118.28831	0.6
119.08561	16.4
120.08945	0.7
121.06523	0.8
121.10124	5.4
123.08113	1.4
123.11683	1.3
125.09620	1.5
127.07494	0.7
128.06186	4.1
129.06982	14.3
130.07759	1.0
131.08543	13.8
131.09453	1.1
133.06526	0.6
133.10123	9.5
135.08011	0.7
135.11618	2.9
137.09605	0.6
141.06967	7.3
142.07733	3.4
143.08542	14.9
144.09280	0.8
145.10095	12.2
147.11655	7.2
149.09598	0.9
149.13269	1.8
151.11122	0.8
153.06969	1.3
154.07762	2.4
155.08516	16.4
156.09303	2.5
157.10100	10.9
159.11673	8.0
161.09627	1.0
161.13278	2.8
163.14864	0.7
165.07024	2.4
166.07776	1.5
167.08542	8.6
168.09303	2.3
169.10098	18.6
169.11478	1.3
171.11670	13.2
173.13257	4.1
178.07799	1.5
179.08502	4.1
180.09312	2.0
181.10077	15.2
182.10846	1.6
183.11667	15.1
184.12267	0.8
185.13242	7.2
187.11235	0.7
187.14769	1.3
189.12805	1.6
191.08499	1.4
192.09259	1.3
193.10075	4.4
194.10907	0.9
195.11667	11.5
196.12456	1.1
197.13245	9.0
199.11099	0.8
199.14795	4.2
201.16386	1.5
204.09564	0.6
205.10022	1.3
207.11713	3.7
207.13820	2.9
208.12460	0.6
209.13229	8.6
211.14824	5.4
213.16379	2.6
217.15889	0.8
219.11621	1.5
221.13153	3.9
223.14761	5.6
225.16431	1.6
227.17941	1.0
233.13231	2.1
235.14740	3.5
237.16420	2.2
239.18016	1.7
241.19536	1.7
245.13184	0.8
247.14835	1.8
249.16321	1.4
251.17975	1.6
253.19568	0.7
255.17273	0.7
257.18973	1.0
259.20569	3.5
261.16165	0.9
263.17957	1.0
269.19110	0.8
275.17841	1.1
281.17404	1.1
293.18890	1.3
295.16913	0.7
295.20627	1.5
297.18793	1.5
297.21799	0.9
307.20605	1.8
309.22098	1.7
311.20007	1.2
313.21609	0.8
315.23224	2.8
321.22101	2.1
323.20297	1.0
323.23737	2.2
325.21646	1.3
327.23206	0.7
333.22049	1.0
335.23715	2.7
337.25491	1.0
339.22971	1.1
341.24713	1.4
347.23712	0.7
349.25266	2.2
351.23065	1.3
353.24652	1.8
357.24329	0.7
363.26620	0.9
365.24695	1.4
379.25934	0.6
419.33249	1.2
429.31500	6.3
430.88843	0.7
447.32544	21.7
465.33582	10.6
472.38727	0.7
483.34610	4.9
485.34122	1.2
503.35336	2.3
515.84503	0.7
521.36200	12.8
539.37256	100.0
540.37427	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	539.393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.9
55.01854	6.5
55.05499	45.3
57.03418	14.2
57.07064	88.7
67.05492	75.9
69.07047	23.9
71.04955	8.6
71.08616	53.8
73.02866	4.8
79.05470	41.7
81.03400	21.4
81.07045	69.2
83.04962	28.0
83.08607	36.3
85.02879	8.7
85.06525	5.2
85.10163	29.3
89.06033	7.6
91.05463	30.7
93.07022	47.6
95.04947	15.4
95.08580	62.5
95.94164	5.1
97.06503	11.6
97.10157	19.7
105.07034	22.3
107.04897	7.0
107.08575	30.3
109.10131	31.0
111.04437	28.5
111.08054	13.1
117.07018	17.1
119.08553	15.5
121.06473	5.3
121.10152	18.5
123.08044	6.7
123.11716	9.0
125.09618	10.5
125.39211	4.7
129.06946	8.1
131.08539	9.4
133.10104	10.8
135.08063	8.4
135.11668	23.2
145.10081	26.0
153.12752	13.8
155.08493	7.4
157.10066	9.1
163.11139	41.0
173.09680	12.8
181.12233	24.6
184.07362	15.4
191.10663	23.9
194.12524	6.5
199.13338	6.9
209.11636	31.9
227.12729	49.5
239.23697	11.8
256.07748	5.7
283.15381	55.9
313.27328	91.9
447.32288	7.0
482.66052	5.1
516.50751	5.3
521.38391	35.7
539.39258	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67607	3.4
54.83572	3.8
55.01838	5.3
55.05504	28.6
57.03422	8.0
57.07067	30.3
58.00318	3.7
67.05495	49.5
69.07063	22.5
69.39316	18.8
69.39741	27.3
71.05019	4.4
71.08611	18.7
79.05479	49.6
81.03421	6.1
81.07043	42.1
83.04967	8.4
83.08604	17.3
85.10152	15.4
91.05452	36.6
93.07028	51.7
95.04957	6.3
95.08594	54.4
97.06493	6.0
97.10131	6.5
98.20698	6.8
105.07010	35.6
107.08588	22.8
109.10116	11.2
111.04379	7.1
117.07005	19.2
119.08579	25.0
121.06425	4.2
121.10142	11.8
128.06184	6.8
129.07005	12.1
131.08543	20.9
133.10103	15.6
135.11639	24.5
141.07022	5.6
142.07767	4.0
143.08534	22.6
145.10112	32.5
147.11674	7.0
155.08554	22.8
157.10164	17.9
159.11685	8.4
163.11150	24.6
167.08563	11.7
169.10100	14.4
171.11652	17.5
173.13248	4.9
181.10086	11.0
181.12190	8.8
183.11705	15.5
185.13245	9.0
195.11708	17.6
197.13263	13.1
207.11673	4.8
207.13760	6.0
209.13341	8.1
223.14827	6.8
227.12753	54.7
239.23703	4.9
251.18120	4.6
283.15384	20.8
313.27295	45.2
315.23471	4.4
383.08469	4.2
429.31754	6.1
447.32376	16.2
465.33322	7.3
511.53961	4.9
521.38068	26.3
539.37415	100.0
547.19781	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	540.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.2
55.01863	7.9
55.05511	22.4
57.03420	5.8
67.05495	50.1
69.03419	37.2
69.07052	17.1
69.57182	16.3
69.57604	13.0
71.04979	16.1
73.83008	2.9
79.05492	27.8
81.03404	40.4
81.07043	85.8
81.74838	3.2
83.04987	15.3
83.08617	17.5
85.02898	19.2
85.06524	6.3
86.64384	3.6
86.96638	3.0
91.05466	41.0
93.07029	28.1
94.04937	3.1
95.04955	16.9
95.08597	79.1
97.02867	15.6
97.06527	26.0
97.10138	5.4
98.21574	3.5
99.04431	8.6
99.08092	6.1
103.05389	4.0
105.07024	35.5
107.04951	6.9
107.08582	13.2
109.02876	24.4
109.06518	11.6
109.10145	10.9
109.13905	3.1
111.04443	5.6
111.08074	7.1
117.06968	7.1
119.04935	16.6
119.08566	34.9
121.06496	11.0
121.10127	12.6
123.08076	9.8
127.03902	35.3
129.07001	4.9
131.08571	10.3
133.06476	6.5
133.10118	29.5
135.08028	7.6
135.11630	15.3
137.09564	4.3
137.13168	6.7
139.07570	3.8
143.08556	4.1
145.04977	3.6
145.10172	5.0
147.04387	56.3
147.08040	3.9
147.11697	4.5
149.13243	4.4
151.07512	20.2
159.11691	7.2
161.13240	37.3
171.11720	4.7
173.11748	8.0
173.13194	4.3
177.12700	5.4
179.14301	33.6
185.13110	3.3
197.15361	10.5
207.13745	4.2
209.15326	5.7
219.13748	3.2
225.14767	4.9
237.14742	8.0
259.17062	4.0
263.16388	5.0
277.17856	6.2
287.16367	15.9
305.17444	51.9
323.18494	100.0
341.19601	43.6
508.20349	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
55.01855	3.4
55.05503	20.7
57.03422	3.3
57.07064	1.1
58.66434	0.8
59.04987	1.0
65.03924	1.7
67.05495	23.2
69.03421	1.7
69.07060	7.0
69.63828	6.8
71.04972	1.3
76.69845	0.8
79.05485	19.3
81.03414	3.2
81.07050	18.0
83.01336	0.9
83.04973	4.1
83.08598	7.7
85.06548	1.3
91.05465	14.4
93.07037	12.9
95.04954	5.3
95.08588	9.6
97.06519	2.1
97.10158	12.8
105.07019	13.0
107.04925	1.4
107.08586	8.7
109.06506	2.3
109.10141	7.4
111.04500	0.8
111.08096	2.0
115.05464	1.9
117.06999	9.2
119.08566	9.9
121.06470	1.1
121.10151	3.7
123.08055	2.3
123.11691	1.3
125.09604	9.2
128.06232	2.4
129.06973	9.5
130.07800	1.0
131.08543	10.7
133.06496	1.1
133.10104	6.6
135.08035	2.4
135.11679	1.7
141.06952	5.1
142.07794	3.3
143.08516	10.1
145.06465	1.3
145.10086	8.7
147.07993	1.5
147.11693	3.4
149.09590	1.3
149.13254	1.4
153.06998	1.6
153.09036	1.1
153.12697	0.9
155.08548	7.3
156.09348	1.4
157.06453	1.2
157.10117	9.0
159.08089	2.6
159.11659	6.6
161.09666	1.4
161.13261	1.1
163.11214	2.7
165.07024	0.9
166.07777	1.3
167.08563	3.4
168.09349	1.2
169.10103	8.0
171.08061	2.1
171.11652	8.9
173.09616	2.6
173.11790	1.0
173.13266	2.5
175.11188	1.0
179.08626	1.4
181.10187	4.1
183.08115	1.8
183.11618	8.0
185.09644	1.9
185.13220	6.4
187.11183	1.7
187.14783	1.2
189.09583	1.2
189.11153	6.2
193.10155	2.1
195.11725	3.7
197.09619	1.7
197.13171	4.0
199.11111	2.3
199.14850	3.5
201.12862	1.0
207.11726	2.5
209.11606	1.0
209.13333	3.2
211.11151	0.9
211.14819	2.0
213.12749	1.3
213.16440	0.8
217.09956	0.9
221.13286	1.7
223.14801	2.3
227.12692	5.1
235.14885	1.6
237.12672	0.9
239.17874	1.0
241.15735	1.0
249.16269	1.0
253.16147	1.0
257.19003	1.3
259.20532	1.3
269.22491	1.2
273.18524	1.1
281.18808	1.5
285.18451	0.9
293.18845	1.0
295.20523	1.8
297.22113	8.3
311.20105	1.0
313.21591	1.4
315.23059	1.7
323.20300	1.3
323.23730	1.1
325.21939	1.0
351.23364	1.1
353.24771	1.4
385.88406	1.3
403.29935	1.2
413.28693	1.3
421.31345	2.2
431.29395	6.5
449.30469	13.5
467.31430	6.0
485.32477	4.8
523.34167	13.4
527.65070	0.9
541.35205	100.0
542.35620	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	541.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.6
55.01847	3.2
55.05506	20.3
57.03420	2.2
57.07048	1.2
59.04971	0.7
61.98003	0.6
64.51316	0.7
65.03951	1.1
67.05141	1.3
67.05499	23.8
69.03396	1.1
69.07058	8.1
69.43438	3.3
69.43868	4.4
71.04979	1.8
79.05479	20.1
79.89169	0.7
81.03397	3.0
81.07048	18.8
83.04954	3.3
83.08606	10.7
85.06538	0.8
91.05469	14.0
93.07033	13.1
95.04949	5.6
95.08590	10.7
97.06517	2.0
97.10158	13.2
99.08059	0.7
103.05480	0.9
105.07021	15.7
107.04961	2.1
107.08584	11.5
109.06502	2.3
109.10137	7.4
111.04501	0.8
111.08066	1.8
115.05442	1.7
117.07013	9.4
119.05016	0.7
119.08572	9.3
121.06472	1.5
121.10127	3.2
123.08088	1.6
123.11668	1.0
125.09615	10.8
128.06203	3.3
129.07001	12.1
130.07794	1.4
131.04973	0.8
131.08539	11.2
133.06467	1.7
133.10129	6.0
134.04730	0.7
135.08044	2.4
135.11661	3.2
141.06932	5.4
142.07806	3.6
143.08539	15.6
145.06448	1.8
145.10117	11.0
147.08015	1.7
147.11638	3.8
149.09650	1.1
153.07005	1.9
153.09113	1.7
154.07715	1.5
155.08528	10.7
156.09308	1.7
157.06503	1.7
157.10095	10.6
159.08031	3.2
159.11682	6.5
161.13281	1.6
163.11157	1.4
165.06993	1.5
166.07762	1.5
167.08554	4.2
168.09360	1.0
169.06531	1.0
169.10141	9.8
171.08038	2.5
171.11668	8.1
173.09576	2.0
173.13289	3.1
178.07718	0.9
179.08571	2.5
181.10089	5.1
183.08076	1.6
183.11670	7.4
185.09639	2.1
185.13237	7.3
187.11093	1.2
187.14774	0.9
189.11229	5.8
193.10019	3.5
195.11653	6.6
197.09734	1.4
197.13252	5.3
199.11153	1.9
199.14792	3.7
201.12677	1.0
205.10045	0.7
207.11707	3.0
209.13283	3.4
211.11143	1.3
211.14841	2.6
213.12709	1.8
219.11679	1.2
221.13234	2.2
223.14842	1.9
225.12781	1.4
227.10631	1.3
227.12683	8.5
233.13266	1.3
235.14897	1.7
239.17949	0.9
241.19293	1.0
257.18982	1.8
259.20547	0.8
263.17972	1.1
271.16690	0.9
279.21140	2.3
281.18997	1.7
297.22092	10.8
309.18503	1.1
311.20190	0.9
313.21457	1.4
313.75195	0.8
315.23209	1.2
325.21686	1.1
331.22589	1.0
337.21573	1.6
339.23151	1.0
341.21176	1.0
351.23254	0.9
353.24911	1.3
355.22723	1.0
403.29892	1.1
421.31030	3.0
431.29572	5.2
449.30417	13.4
467.31555	6.5
485.32758	4.1
487.32462	1.0
505.33063	1.6
513.35443	1.3
523.34119	13.3
541.35193	100.0
542.35425	4.1
564.10229	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	4.1
55.01860	5.2
55.05505	24.8
57.03414	3.4
57.07055	4.1
65.03938	1.6
67.05494	31.2
69.03396	3.2
69.07058	9.5
71.04963	1.5
71.08609	2.7
73.02900	1.8
76.94482	1.1
79.05483	30.6
81.03413	6.5
81.07045	29.6
81.34161	1.0
82.19749	0.9
83.04951	4.6
83.08609	9.6
85.06541	1.2
85.10175	1.0
91.05463	22.3
93.07031	21.8
95.04946	8.3
95.08591	14.9
97.02828	1.1
97.06507	3.6
97.10161	14.2
103.05442	2.0
105.07016	21.1
107.04916	4.0
107.08585	14.9
109.06503	2.9
109.10164	9.2
111.04422	2.8
111.08050	1.7
115.05434	2.0
117.07006	14.1
119.08569	15.8
121.06454	2.2
121.10126	7.0
123.08038	1.9
123.11662	1.3
125.09621	9.2
128.06177	3.4
129.06204	1.3
129.06992	12.1
130.07741	1.1
130.89563	1.1
131.08553	13.0
133.06461	1.6
133.10094	8.4
135.08014	1.8
135.11641	4.7
137.13078	1.2
141.06950	4.1
142.07724	3.4
143.08537	13.8
145.06425	2.5
145.10101	12.1
147.08015	1.9
147.11674	6.1
149.13203	2.1
153.06911	2.0
153.08981	1.5
153.12723	1.8
154.07773	1.2
155.08530	9.0
156.09384	1.6
157.06493	1.3
157.10121	12.8
159.08025	2.2
159.11662	8.6
161.09566	2.0
161.13240	2.5
163.11160	2.8
165.06941	2.0
166.07803	1.3
167.08531	3.4
168.09285	1.5
169.10124	9.7
171.08028	2.0
171.11661	12.4
173.09564	3.3
173.11743	1.1
173.13208	3.9
175.11089	1.5
179.08501	1.9
181.10083	6.0
183.08014	1.7
183.11679	9.0
185.09659	2.3
185.13234	6.1
187.11139	1.6
187.14890	1.8
189.11157	4.7
193.10103	2.1
195.11591	4.8
197.09555	1.8
197.13280	7.2
199.11133	2.6
199.13055	1.4
199.14825	4.0
207.11658	3.0
209.09619	1.1
209.13228	4.2
211.11206	1.2
211.14658	2.4
213.12675	2.2
213.16382	1.3
221.13211	2.4
223.14796	1.9
225.12756	2.4
227.12669	5.2
228.27310	1.1
233.13152	1.3
235.14752	1.3
237.16628	1.3
239.23650	2.3
257.18997	1.3
259.20450	1.8
261.21817	1.5
279.20877	1.7
281.18427	1.0
295.20499	2.0
297.22021	9.5
311.19974	1.1
313.27386	1.3
315.23080	2.7
323.19849	1.5
333.22189	1.7
337.21350	1.8
339.23199	1.6
413.28482	2.4
421.31207	2.5
431.29129	5.6
449.30234	12.1
452.46890	1.2
467.31357	6.4
485.32455	3.3
505.32809	1.3
513.35602	1.4
523.33887	11.5
541.34985	100.0
542.35156	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.9
51.02367	2.2
53.03945	8.5
55.01862	4.2
55.05505	26.8
57.03424	2.8
57.07061	2.6
65.03925	4.6
67.05495	83.5
69.03419	2.4
69.07059	18.0
69.38003	7.3
69.38400	2.5
71.04974	3.4
73.06538	1.1
75.43530	0.9
77.03924	1.6
79.05482	100.0
80.05824	1.0
81.03410	7.8
81.07046	69.7
83.04965	12.2
83.08606	10.5
85.06522	3.5
91.05466	75.9
93.07030	94.1
95.04954	26.4
95.08591	50.4
97.02877	0.9
97.06518	6.0
97.10146	4.9
103.05425	1.1
104.88252	0.8
105.04499	3.0
105.07012	49.2
107.04928	5.7
107.08580	35.3
107.09324	1.4
109.06505	5.5
109.10143	11.3
111.08043	2.5
115.05443	1.2
117.07003	14.4
119.08562	31.1
121.06516	2.4
121.10128	21.6
123.08067	6.4
123.11692	2.2
125.09677	1.1
127.07521	1.3
128.06169	2.9
129.06985	14.1
130.07770	1.3
131.08545	14.9
133.06485	1.2
133.10115	15.7
135.08028	1.0
135.11671	11.9
137.09621	0.9
137.13283	1.0
142.07787	1.1
143.08542	11.5
145.10097	15.7
146.10487	1.0
147.08022	3.5
147.11665	37.4
149.13225	4.8
155.08548	2.3
157.10133	3.6
159.11674	6.6
161.09625	4.2
161.13217	15.4
163.01610	1.0
163.11134	1.3
163.14767	1.1
169.10138	2.6
171.11668	27.1
173.13217	4.8
175.14789	1.9
179.14293	2.0
183.11626	1.6
185.13232	1.7
187.14888	2.7
189.12735	12.6
189.16353	0.8
195.11707	0.9
197.13225	2.0
199.14690	1.1
207.13774	28.3
211.14815	1.0
225.14865	2.9
243.21040	1.9
259.20520	0.9
261.22061	5.2
281.17490	2.5
317.24564	2.0
327.74570	0.9
449.34131	3.5
467.35226	1.9
485.35989	1.4
523.37927	1.9
523.88831	1.0
541.38831	94.8
542.39099	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	541.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21675	0.7
51.02368	1.9
53.01098	0.8
53.03944	6.9
55.01857	3.1
55.05505	25.5
55.58519	0.8
56.24784	0.7
56.69312	0.7
57.03423	3.4
57.07062	2.3
59.05034	1.0
65.03946	4.9
67.05498	78.2
69.03419	2.5
69.07061	18.6
69.44863	2.4
69.45282	6.8
71.04975	4.1
73.06557	1.2
77.03941	2.2
79.05485	100.0
81.03404	8.4
81.07047	71.1
82.07385	1.2
83.04977	11.3
83.08612	9.6
85.06550	3.8
91.05471	69.3
93.07035	94.7
95.04958	23.7
95.08596	47.5
96.08897	1.1
97.02898	1.3
97.06512	7.3
97.10155	5.0
99.08058	1.3
103.05471	1.9
105.04523	2.3
105.07021	49.4
106.07313	0.8
107.04955	5.5
107.08581	36.9
109.06509	6.2
109.10146	13.2
111.08080	2.8
112.48122	0.7
113.09621	0.8
115.05456	1.8
117.07006	12.7
118.39520	0.9
119.06145	0.9
119.08569	31.5
119.47597	0.8
121.06524	3.1
121.10126	21.8
123.08063	6.3
123.11710	2.3
125.09604	1.4
127.07544	1.2
128.06200	2.9
129.06990	17.0
130.07784	1.7
131.08545	12.4
133.10112	15.9
135.08104	1.7
135.11679	14.5
137.09634	1.2
137.13188	1.3
141.07039	2.0
141.09134	0.9
142.07771	1.1
143.08543	10.4
145.10107	15.4
147.08041	2.1
147.11668	38.3
148.12135	1.1
149.13231	4.2
153.40887	0.8
155.08533	1.4
156.09329	1.5
157.10109	3.2
159.11671	7.8
161.09604	4.3
161.13249	15.3
163.11208	0.9
163.14827	2.0
169.10123	2.5
171.11676	28.1
173.13229	4.8
175.14827	2.2
179.14345	1.6
183.11667	1.7
185.13319	1.9
187.14832	1.8
189.12714	10.5
189.16348	0.8
195.11523	0.7
197.13283	1.5
199.14798	1.4
201.16440	1.0
205.90469	0.8
207.11824	1.6
207.13785	30.3
209.13327	1.2
223.14868	1.0
225.14752	1.3
236.68135	0.8
241.19633	0.9
243.21109	1.2
261.22214	4.4
281.17557	2.0
317.24808	1.4
449.34039	3.1
467.35202	1.4
523.37939	1.9
527.99652	0.9
541.38867	88.8
541.53241	2.6
542.39386	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	542.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49206	0.6
51.07125	0.7
56.96545	1.1
61.47375	0.5
63.87280	0.7
69.03402	2.2
71.69485	1.6
79.05462	2.5
81.03418	1.0
81.07069	0.6
85.02898	4.6
91.05473	1.9
93.07024	2.0
95.04967	1.5
97.02872	1.8
98.97540	1.3
103.05453	6.8
107.04933	1.9
109.06499	0.9
116.98608	1.8
119.04918	1.2
120.08086	100.0
121.06494	2.8
121.08405	1.2
123.04362	0.8
127.03902	1.7
131.04906	4.2
131.71169	0.6
133.06493	0.9
135.04463	0.9
135.84761	0.6
136.06152	2.5
137.05949	0.8
145.05002	0.8
147.04382	1.1
149.05965	8.6
158.99640	1.3
165.05464	1.5
166.08611	54.0
167.07034	7.1
167.08977	1.2
177.00734	0.8
179.07001	3.4
183.06487	1.4
219.01845	1.0
237.02827	1.3
279.03656	0.6
353.59238	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77477	0.4
56.52443	0.3
69.62624	0.4
69.63276	2.3
72.70081	0.3
75.23446	0.3
133.38924	0.3
138.07297	0.4
151.08835	0.4
196.85556	0.4
201.93985	0.4
212.85361	0.4
220.47826	0.4
381.07877	15.8
397.15189	0.4
543.13153	100.0
544.13495	2.6
545.09253	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94664	0.4
54.23335	0.4
56.96561	0.4
59.58719	0.4
59.87095	0.3
60.26517	0.3
63.02335	0.5
67.05484	0.4
69.03397	0.6
70.06564	0.9
70.06918	0.3
70.99263	1.0
79.05460	0.4
81.03387	1.3
81.07003	0.8
85.02888	1.0
85.88796	0.5
86.57780	0.4
89.03900	2.6
91.05489	1.0
93.07012	0.5
95.04960	0.6
95.08568	0.5
97.02883	0.6
100.56165	0.4
105.06998	0.6
109.02863	0.6
109.10086	0.6
117.03362	7.0
127.03876	1.0
133.10068	0.6
134.03609	0.6
135.04437	0.7
137.05928	0.5
145.02820	23.9
145.10077	0.4
147.04384	1.2
148.04671	0.5
149.05984	2.1
150.05501	0.7
160.03923	0.6
167.06906	0.4
169.81766	0.4
173.13197	0.5
177.05447	62.0
178.04968	69.2
191.14194	0.4
193.96838	0.4
206.04457	75.6
271.65182	0.4
308.78210	0.5
317.08337	0.8
333.07825	0.9
335.09488	3.1
339.10828	0.7
351.17584	0.6
368.09714	10.1
411.20105	3.0
469.91742	0.5
543.24072	100.0
544.14648	3.5
544.24292	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19294	0.9
53.03934	1.9
55.01862	2.9
55.05504	17.4
57.03431	4.5
57.07055	1.5
65.03906	0.8
65.94756	0.8
67.05133	1.5
67.05493	25.9
69.03416	1.6
69.07047	8.0
71.04955	1.8
71.31161	1.9
79.05482	18.4
81.03410	5.2
81.07046	21.3
83.04974	3.8
83.08610	8.5
85.02882	1.5
85.06529	1.1
91.05460	17.4
93.07034	14.8
95.04964	5.8
95.08590	12.0
97.10166	7.3
97.31087	0.9
102.98068	0.9
105.07005	15.8
107.04939	3.7
107.08570	11.3
109.10132	8.4
111.08073	2.3
115.05453	2.1
117.07008	9.1
119.08569	12.9
121.06493	3.0
121.10125	6.0
123.08074	1.2
123.11705	2.9
125.09618	6.7
128.06216	2.6
129.06993	8.6
130.07788	1.0
131.08542	16.3
133.06448	1.2
133.10086	8.1
135.08060	2.7
135.11693	3.3
137.09639	1.1
139.27769	0.8
141.06960	2.9
142.07774	3.2
143.08548	9.7
144.11131	1.0
145.06496	2.2
145.10097	13.2
147.08035	2.2
147.11649	4.9
149.09598	1.6
149.13300	0.9
153.09108	1.0
155.08516	5.5
156.09372	1.4
157.06476	1.5
157.10072	10.6
159.08025	3.0
159.11673	10.8
161.09610	1.6
161.13245	3.0
163.11172	1.3
167.08565	2.7
168.09250	1.3
169.10109	4.9
171.08075	2.0
171.11633	9.0
173.09637	2.3
173.11894	1.2
173.13240	5.1
175.11116	1.1
175.14774	1.3
181.10083	4.4
183.08118	1.3
183.11684	5.4
185.09663	2.4
185.13239	6.5
187.11240	1.8
187.14830	3.2
188.11761	1.0
189.11189	2.1
193.10336	1.5
193.12294	2.4
195.11749	2.8
197.13213	4.2
199.11319	1.3
199.14815	2.7
201.12730	1.1
203.10701	1.0
203.52425	0.8
205.10066	1.2
209.13229	3.2
211.14864	1.6
213.12808	2.1
213.16428	1.5
215.14311	1.8
219.11922	0.8
221.13293	2.1
223.14786	1.7
227.12856	2.7
233.19206	1.0
235.14983	1.5
237.16460	1.2
239.18076	1.4
241.19609	1.3
247.17082	1.2
257.19135	1.7
259.20551	4.3
267.15805	2.1
277.19138	1.1
295.20404	1.3
297.22208	2.8
299.23666	4.2
301.21600	1.5
313.21768	1.5
321.22205	1.3
327.23157	1.9
339.23114	1.4
353.24707	1.4
357.24231	1.6
415.30081	1.3
421.25558	1.1
423.32523	1.4
433.30881	5.7
451.32047	11.5
469.33063	4.4
487.34128	1.8
499.34280	1.4
507.34634	2.1
515.37030	2.4
525.35797	18.6
526.65509	1.0
543.36743	100.0
544.37183	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3674
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
51.76879	0.7
53.03939	2.9
54.98219	0.8
55.01856	3.5
55.05507	17.2
57.03434	4.3
57.07066	1.8
59.04994	1.1
65.03912	1.1
67.05497	24.8
68.80610	0.8
69.03421	1.3
69.07059	9.3
69.66485	6.9
69.66804	0.6
71.04984	2.3
79.05489	18.9
81.03401	5.2
81.07052	24.1
83.04978	2.4
83.08612	9.1
85.06531	0.8
91.05470	17.2
93.07033	18.3
93.07594	1.6
95.04951	6.9
95.08602	12.6
97.06522	2.2
97.10164	8.9
103.54208	0.8
105.07013	17.0
107.04940	3.2
107.08583	11.1
109.06503	2.8
109.10143	10.5
111.08074	1.9
115.05455	1.6
117.07001	12.6
119.08579	12.2
121.06539	2.3
121.10148	5.1
123.08069	2.2
123.11686	2.4
125.09615	6.7
128.06209	2.7
129.07007	9.5
131.08548	17.9
131.09457	1.4
133.06485	1.6
133.10112	9.1
135.08040	2.3
135.11699	3.3
137.09612	1.7
141.06949	3.1
142.07780	3.1
143.08517	8.5
144.09258	1.1
145.06509	3.2
145.10095	13.1
147.08084	1.8
147.11676	5.8
149.09615	2.1
149.13326	0.9
153.09096	0.9
154.07806	1.1
155.08510	7.0
156.09236	0.9
157.06549	1.1
157.10117	9.2
159.08037	3.7
159.11670	9.7
161.09598	1.2
161.13278	2.9
163.11186	1.8
167.08568	3.0
168.09424	0.9
169.10094	7.0
171.08038	2.4
171.11702	7.0
173.09604	2.3
173.13216	6.1
175.11179	1.6
175.14722	0.9
177.12813	0.8
179.08545	0.9
181.10112	3.3
183.11647	5.6
185.09639	1.9
185.13187	4.7
187.11234	1.1
187.13322	1.0
187.14871	3.6
189.11221	2.4
189.12738	1.0
193.10251	1.3
193.12210	2.1
195.11638	3.8
197.13219	3.9
199.11194	1.1
199.14818	2.7
201.12724	1.3
201.16374	1.2
203.14240	1.3
209.13187	1.9
211.14838	1.8
213.12817	1.6
213.16331	1.7
221.13211	1.1
223.14751	1.4
225.16425	0.9
227.12706	2.8
233.13133	1.0
241.19597	1.0
243.15799	1.1
257.19012	1.1
259.20529	1.9
267.15817	1.9
275.20145	2.6
283.20584	2.6
297.18774	1.2
297.22177	2.4
299.23648	4.7
315.23135	1.0
325.21619	1.2
327.23038	1.6
333.23975	1.1
353.24893	1.2
355.26892	0.9
357.24252	1.7
365.24170	0.9
405.31189	1.0
415.29898	2.7
423.32520	1.7
431.28796	1.0
433.30972	6.5
451.32016	10.3
469.32928	6.3
487.34531	1.3
507.34836	1.7
515.37524	1.4
525.35675	18.5
543.36761	100.0
544.37103	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	543.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.7
55.01851	3.7
55.05505	16.9
57.03418	3.9
57.07067	1.3
59.04984	1.7
66.52888	1.1
67.05497	24.1
69.03403	2.3
69.07059	10.2
71.04978	2.3
79.05479	17.3
81.03412	6.2
81.06605	1.4
81.07045	19.1
83.04975	2.6
83.08595	7.3
85.06519	1.9
91.04927	1.4
91.05470	18.2
93.07034	16.4
95.04945	6.1
95.08581	13.4
97.06519	2.2
97.10149	8.8
99.08118	1.6
102.12476	1.1
105.07015	15.1
107.04928	4.3
107.08572	12.9
108.74275	1.3
109.06480	2.3
109.10133	9.7
111.08060	2.6
115.05473	1.4
117.07011	10.8
119.08571	13.8
121.06483	3.1
121.10118	6.5
123.08072	2.2
123.11668	1.4
125.09617	5.6
128.06174	2.5
129.06984	8.6
130.07845	1.3
131.08545	17.6
133.06490	1.2
133.10135	8.4
133.52167	1.1
135.08078	2.1
135.11668	4.0
137.09598	2.2
141.06955	3.4
142.07767	2.5
143.08545	9.6
145.06487	4.9
145.10071	12.3
147.08049	1.9
147.11678	4.8
149.09618	1.6
149.13289	1.7
151.11203	1.6
155.08519	6.5
157.10101	9.2
159.08073	3.1
159.11681	8.4
161.09590	1.3
161.13322	3.1
163.11139	2.2
167.08501	1.9
169.10062	6.9
171.08098	1.9
171.11615	7.1
173.09642	3.2
173.13190	7.9
175.11179	1.1
179.08543	1.6
181.10158	3.0
183.11636	6.0
185.09642	1.6
185.13246	4.4
187.11227	2.0
187.14871	1.6
189.11192	2.9
193.10066	1.3
193.12328	2.1
195.11728	5.2
197.13246	4.6
199.11324	1.7
199.14810	4.5
207.11623	1.7
209.13242	2.9
211.14830	2.5
221.13364	1.4
223.14853	2.5
227.12749	2.1
237.16411	2.0
241.19472	1.8
247.16798	1.2
259.20609	4.7
262.58801	1.3
267.15875	2.4
275.20218	1.3
277.21567	2.1
283.20535	2.0
287.19986	1.2
297.22116	3.4
299.23666	3.9
313.21329	1.2
314.61533	1.2
321.22198	1.1
333.24478	1.4
335.24121	1.4
339.23364	1.4
390.18631	1.2
405.31168	1.5
415.30032	2.6
423.32767	2.1
433.31012	7.8
450.83356	1.2
451.32092	10.9
469.33374	5.2
507.34344	1.6
515.36902	2.1
523.24347	1.1
525.35840	15.2
543.36768	100.0
544.37146	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	543.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32162	1.6
53.03926	7.1
55.01871	13.0
55.05504	29.5
56.78156	1.9
57.03422	7.8
57.07065	4.2
65.03927	5.6
67.05138	3.6
67.05492	64.3
69.03401	2.6
69.06686	2.8
69.07053	37.2
71.01318	1.7
71.04976	3.6
71.64480	1.5
79.05479	59.7
81.03387	9.3
81.07043	80.1
83.04966	11.4
83.08603	17.9
85.06534	4.7
88.50359	1.7
91.05463	56.9
93.07029	59.0
95.01302	4.5
95.04949	16.1
95.08589	40.0
97.06520	20.7
97.10165	8.1
98.20701	3.0
99.08086	2.6
105.04557	1.9
105.07014	61.4
107.04921	16.3
107.08576	36.3
109.06482	7.9
109.10142	12.1
109.71897	1.8
111.08052	6.2
113.09635	2.4
115.05431	3.9
116.06290	1.9
117.07000	22.2
119.08559	37.5
119.46922	1.7
120.12231	1.8
121.06480	6.1
121.10136	18.5
123.08048	3.6
123.11676	4.7
125.09605	5.7
128.06131	4.0
129.06981	9.6
130.07733	2.3
131.08537	30.9
133.06476	4.4
133.10101	34.3
135.08031	7.1
135.11655	14.4
137.09570	2.8
139.11156	2.0
141.06973	4.9
142.07813	3.4
143.08546	10.7
145.06470	5.4
145.10104	27.8
147.08022	3.3
147.11681	12.3
149.09566	8.3
149.13232	13.8
150.75330	1.7
151.11157	2.2
154.78561	1.9
155.08510	8.2
157.10074	8.8
159.08083	3.2
159.11636	21.0
161.09601	3.4
161.13268	7.0
163.11154	7.5
165.09067	2.1
165.12717	2.7
167.08525	2.5
168.09351	1.9
169.08861	1.5
169.10083	10.6
171.10416	1.9
171.11656	10.4
173.09572	2.5
173.11934	2.3
173.13158	8.2
175.11247	3.4
175.14754	2.5
177.12727	5.8
179.14261	12.7
181.10190	1.6
183.11682	7.0
185.13278	4.5
187.11197	5.1
187.14851	2.9
195.11806	4.1
195.13818	3.6
197.13246	5.8
199.11224	2.3
199.14764	2.0
203.14253	2.0
215.14247	1.8
219.17548	2.1
222.47359	1.7
227.12695	3.2
229.19612	3.2
233.15511	2.1
239.17953	4.3
247.20616	3.2
249.22374	2.1
257.19006	10.2
259.20612	2.8
275.20023	45.3
277.21674	2.7
289.17957	2.8
293.21133	4.5
299.23511	3.1
309.22092	2.2
325.92352	1.9
331.22491	2.9
339.22986	2.5
423.32458	3.1
431.27695	2.1
433.30930	4.9
451.31946	11.2
469.33112	6.9
487.34610	2.2
525.35626	18.3
543.36725	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.5
53.03937	3.5
55.01873	8.1
55.05505	28.0
57.03421	6.2
57.07051	3.2
57.81593	1.2
65.03925	3.9
67.05497	57.6
69.03418	2.4
69.07063	29.2
69.94614	3.6
69.95026	4.7
71.04987	4.8
71.08625	1.5
77.03940	1.6
79.05016	2.9
79.05485	52.3
81.03406	7.1
81.07049	65.2
83.04969	8.7
83.08610	13.5
85.06528	5.2
91.05469	46.9
91.06040	2.4
93.07030	51.9
95.01312	1.9
95.04968	7.7
95.08597	28.7
97.06519	14.2
97.10154	10.1
98.21366	2.2
105.07022	37.1
107.04950	9.6
107.08581	34.5
107.09113	1.0
109.06493	6.2
109.10149	11.9
111.08088	4.5
117.06994	18.1
119.08566	26.3
121.06478	4.3
121.10149	17.7
123.08051	4.3
123.11685	4.4
125.09637	8.1
128.06244	4.2
129.06993	12.0
131.08553	30.5
133.06451	2.2
133.10114	26.8
135.08058	5.4
135.11705	11.1
137.09604	1.5
139.11212	2.2
141.07014	4.7
142.07771	3.4
143.08533	11.2
145.06453	2.1
145.10106	21.9
147.08008	3.5
147.11667	14.4
149.09579	9.2
149.13246	12.7
151.11186	2.5
155.08527	8.2
157.10132	13.0
159.08029	2.0
159.11682	20.0
161.09705	3.6
161.13254	6.7
163.11160	5.7
165.12830	1.4
167.08549	3.0
169.10077	9.1
171.07986	1.6
171.11694	10.3
173.13272	8.8
175.11209	1.9
177.12746	3.5
179.08542	2.8
179.14258	7.3
180.48869	1.5
181.10110	4.1
183.11700	8.9
185.13228	6.6
187.13264	1.4
187.14854	3.3
189.11212	4.3
189.12708	2.0
189.16426	1.8
193.12234	2.8
195.11688	4.6
195.13641	3.2
197.13307	6.3
199.14856	5.7
201.12752	1.5
201.16504	2.0
207.11731	1.6
209.13277	3.9
211.14857	3.2
213.16435	3.3
221.13274	2.0
223.14911	2.2
227.12689	3.1
233.25253	1.4
237.16348	2.2
239.18002	4.6
245.26686	1.5
257.18954	7.9
259.20584	2.2
267.15927	3.5
269.17426	2.1
273.18680	1.7
275.20047	39.6
283.20575	3.6
293.21259	2.9
299.23682	6.0
301.21527	3.5
331.22653	2.4
339.23325	2.0
353.24579	1.5
355.26028	1.7
405.31311	2.3
415.29950	2.7
421.25772	2.2
423.32718	4.6
431.28198	3.4
433.31158	11.2
451.32169	13.9
469.32986	8.3
487.33878	2.1
507.34729	3.7
515.37158	3.1
525.35724	32.8
543.36768	100.0
544.36932	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01862	5.0
55.05505	30.3
57.03426	4.5
57.07058	3.5
57.18817	1.6
59.38333	1.5
60.52022	1.5
65.03943	3.0
67.05494	43.4
67.91704	1.5
69.03430	2.7
69.07055	21.9
71.04983	3.3
79.05481	40.0
81.03401	7.5
81.07043	46.8
83.04970	7.9
83.08607	16.3
85.06539	4.1
85.57565	1.5
88.31688	1.4
91.05464	37.1
93.07034	35.8
93.07593	3.3
95.04955	11.8
95.08592	26.2
97.06522	6.7
97.10146	11.5
103.05461	1.9
105.04505	2.2
105.07014	34.7
105.07706	2.1
106.91928	1.6
107.04941	5.4
107.08575	22.9
109.06509	5.9
109.10119	10.2
111.08062	2.9
115.05420	4.1
117.06995	18.3
119.08569	27.1
121.06452	3.5
121.10148	9.0
123.08025	2.5
123.11713	3.6
125.09625	7.1
128.06227	3.2
129.06999	11.9
130.07823	2.1
131.08553	27.6
133.10101	17.8
135.08092	5.0
135.11688	8.1
137.09581	2.1
141.06990	5.6
142.07716	2.9
143.08530	13.3
145.06491	2.4
145.10100	23.8
147.08081	2.6
147.11665	12.5
149.09613	4.8
149.13306	8.0
153.09163	2.0
155.08516	11.1
157.10136	13.1
159.08041	2.5
159.11697	12.9
161.09612	1.9
161.13272	5.0
163.11192	6.4
165.12868	2.1
167.08531	4.7
169.10042	11.0
171.11691	12.7
173.13268	7.0
175.11142	3.1
175.14821	2.8
179.08513	2.2
179.14369	2.1
181.10127	7.4
183.11644	11.0
185.13242	8.0
187.11252	1.7
187.14774	5.2
189.11250	3.8
189.16420	1.8
193.10088	2.2
193.12242	2.7
195.11703	5.6
197.13254	7.9
199.11086	1.8
199.14813	6.0
207.11723	1.7
209.13304	3.7
211.14851	5.5
221.13269	2.5
223.14890	2.5
227.12733	4.1
227.17967	2.4
229.87766	1.7
237.16460	1.9
241.19528	3.6
257.19016	2.7
259.20615	4.9
267.15985	4.9
275.20099	12.9
277.21631	4.2
281.22647	2.1
297.21930	2.5
299.23715	6.2
301.21283	2.2
407.54019	1.6
415.29639	3.5
423.32687	5.2
433.31015	13.5
451.31955	19.2
469.33273	11.2
487.34427	3.1
507.34872	3.2
515.37512	2.3
525.35651	41.7
543.36737	100.0
544.36902	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
56.05008	0.3
57.03442	0.2
61.35652	0.2
63.07136	0.3
66.57788	0.2
69.03397	0.3
70.06600	0.3
70.57624	0.6
70.57995	0.5
73.02917	0.3
81.03394	1.2
81.07023	0.4
84.08121	0.5
85.02875	0.4
86.09665	0.3
89.03902	4.3
91.05441	0.3
95.04900	0.2
96.72092	0.3
98.21604	0.3
105.03375	0.8
106.12086	0.3
106.29556	0.3
109.02869	0.5
117.03361	12.3
132.04410	1.1
134.03613	0.9
135.04376	0.7
145.02824	32.8
146.03149	0.3
147.04375	0.7
149.05951	4.0
150.05498	1.2
151.07487	1.1
158.99623	0.3
160.03928	0.5
163.03879	0.8
177.05441	85.5
178.04962	97.8
179.05331	0.8
185.15303	0.7
186.05432	0.9
206.04454	100.0
207.04723	0.8
214.57138	0.3
218.08499	0.3
225.04378	0.5
233.62312	0.3
262.17474	0.3
321.09595	0.9
339.10898	0.5
368.09705	13.2
387.09296	0.3
415.08411	0.3
452.78754	0.3
539.39581	0.3
544.14252	4.9
544.24091	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	544.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	9.9
54.13423	7.2
55.05497	21.0
57.76573	8.0
60.52760	7.8
67.05500	41.3
69.03413	29.0
69.07051	14.8
69.49886	20.5
69.50307	57.0
71.04989	12.0
79.05481	28.2
81.03419	47.7
81.07064	73.7
83.04958	18.4
83.08605	18.4
84.08173	8.6
85.02879	23.3
85.06559	9.3
91.05463	31.4
93.07032	35.5
95.04978	10.8
95.08606	70.5
97.06505	19.0
105.07014	31.1
107.08584	22.1
109.02869	25.2
109.06504	16.2
109.10152	23.1
111.08083	8.7
119.08560	36.2
119.26751	7.7
121.06490	12.7
121.10121	16.5
127.03903	29.0
131.08504	10.4
133.10109	21.8
135.11607	17.9
137.06006	8.6
137.13248	15.4
147.04382	15.2
148.04764	8.2
151.03876	7.8
151.07579	17.9
159.11720	10.9
161.13264	36.7
163.03859	10.0
179.14331	27.2
197.15337	16.4
221.15540	9.8
237.14732	13.7
240.80540	9.7
287.16428	13.2
305.17419	55.9
309.21625	8.9
323.18494	100.0
341.19489	26.5
483.94138	8.8
544.39136	26.6
564.96643	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	545.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.05487	0.6
57.03412	0.8
57.68515	0.3
67.05480	0.6
69.03416	2.6
69.07047	1.0
70.25783	1.0
71.01328	0.3
79.05479	1.4
81.03403	1.7
81.07034	0.7
85.02898	1.9
85.06499	0.5
89.03912	4.5
91.05463	1.2
93.07027	0.9
95.04932	0.6
95.08602	0.4
97.02877	5.7
99.04415	0.4
101.02376	0.4
103.05443	0.5
105.07001	0.7
107.04955	2.1
107.08574	0.6
109.02843	0.8
111.04403	0.3
115.05421	0.6
117.03360	5.9
117.06995	0.8
119.04934	0.6
119.08555	0.6
121.02861	0.3
121.06438	0.3
121.10152	0.4
123.04399	0.4
127.03876	0.9
128.06178	0.4
129.06993	1.8
131.04909	1.0
133.06464	0.5
133.10144	0.3
135.04401	14.8
137.05948	0.8
141.06963	0.5
142.07780	1.7
143.04924	0.3
145.02829	10.2
145.06459	0.7
147.04390	2.5
147.08029	0.4
147.11681	0.3
149.05913	1.6
157.06557	0.6
157.10109	1.8
160.05090	0.4
161.05966	1.7
163.03883	100.0
164.04204	0.8
165.05466	0.4
170.07275	0.8
174.06741	1.0
175.07530	1.4
177.05429	0.5
181.04941	1.6
184.07208	0.3
185.09589	1.4
188.07982	0.3
193.08588	0.5
195.07967	0.3
199.07657	0.3
203.10648	12.9
205.12216	3.2
207.56081	0.3
215.10695	0.4
220.10883	0.6
221.11670	2.7
227.10579	0.6
231.10110	1.3
245.11728	0.9
269.11697	0.6
275.68173	0.3
307.08191	1.3
311.12805	0.6
325.09125	9.9
347.15009	0.6
365.15823	0.6
383.11087	0.5
393.85663	0.3
545.33374	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.05489	1.7
57.03424	0.7
67.05485	1.6
69.03406	2.0
69.07040	0.7
69.61882	0.6
70.73907	1.6
70.74279	1.5
71.04966	0.8
79.05466	1.1
79.07536	0.5
81.03415	1.8
81.07038	2.2
83.04978	1.0
83.08585	0.9
85.02875	2.2
85.06511	1.9
86.09648	0.8
89.03904	8.0
91.05480	3.2
92.72700	0.7
93.07012	2.5
95.04967	1.1
95.08575	1.8
97.02866	1.5
97.06515	1.0
105.07021	3.4
107.08572	2.1
109.02857	1.4
109.06512	1.1
109.10135	1.1
113.02342	0.8
115.05434	0.8
117.03363	20.6
119.04933	1.0
119.08557	3.3
121.10128	1.9
123.08061	2.2
123.11700	0.8
125.09603	0.8
127.03941	0.7
129.07036	0.9
131.08536	2.0
133.06480	1.6
133.10081	3.1
134.03624	1.4
135.04378	2.3
135.08037	1.4
135.11661	1.0
137.05951	2.6
137.09612	1.0
143.08560	1.2
145.02821	48.6
145.10077	1.9
147.04385	2.7
147.08012	2.0
147.11623	6.0
149.05957	7.1
149.09587	4.8
151.03889	3.9
151.07585	1.1
156.09392	1.1
157.10043	0.9
159.08003	2.4
159.11748	1.0
161.09648	0.7
161.13245	2.0
163.03845	2.5
163.11201	1.1
167.07066	0.8
171.11707	1.2
173.09605	0.7
174.10393	3.9
177.05446	100.0
178.05827	1.3
186.05440	2.0
187.14917	0.6
189.12709	12.1
191.14236	1.1
207.13783	5.9
221.15511	0.8
231.06470	2.7
241.11949	0.9
281.11740	1.3
321.09775	1.1
337.17984	3.1
339.10550	0.9
365.17514	6.7
527.29242	0.8
545.32617	1.5
547.69073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	1.1
53.03941	4.6
55.01854	3.9
55.05504	26.3
57.03429	8.6
57.07058	2.4
59.04989	1.6
59.21872	0.9
62.95758	0.9
65.03924	3.4
67.05494	64.1
67.66293	0.9
68.05838	1.1
69.03408	3.4
69.07057	16.8
71.04988	6.9
71.08626	1.4
71.71543	1.4
77.03933	0.9
79.05481	53.4
81.03403	36.0
81.07043	55.0
83.04969	9.1
83.08606	23.1
85.02887	16.5
85.06524	3.6
85.99315	1.0
87.04483	0.8
91.05465	43.9
92.05800	1.2
93.07027	48.5
93.39352	0.8
94.07379	1.7
95.04954	22.2
95.08590	36.9
97.02905	1.7
97.06511	5.7
97.10147	12.4
99.08070	2.8
103.05400	1.0
104.10734	1.7
105.07006	34.4
106.07372	1.0
107.04931	6.1
107.08578	29.5
109.06503	5.1
109.10142	18.4
111.04451	1.8
111.08072	9.0
113.06039	2.0
115.05416	1.3
117.06999	11.3
119.08562	26.6
120.08849	1.2
121.06493	3.5
121.10125	23.7
121.10970	1.4
123.08073	4.2
123.11679	6.2
125.09631	6.0
128.06200	1.3
129.06985	9.3
131.08542	24.2
133.06483	1.7
133.10103	17.5
135.08057	3.2
135.11673	12.0
137.09615	2.6
139.11195	1.0
142.07770	2.4
143.08546	5.6
144.09242	1.0
145.10098	12.9
147.08070	1.8
147.11658	16.7
149.09608	4.6
149.13249	5.4
150.39441	0.9
151.11189	2.1
155.08531	1.4
157.10089	9.5
159.11649	9.3
161.13222	4.8
163.11169	2.5
163.14783	2.3
165.12785	3.3
169.10159	3.9
171.10309	1.0
171.11687	3.7
173.13254	7.6
175.11180	8.7
175.14813	3.7
179.14249	2.2
181.10098	1.6
183.11708	3.5
183.86292	1.0
185.13260	2.8
187.13351	1.1
187.14708	4.6
189.11203	3.9
189.12743	1.4
189.16370	1.4
193.12222	32.9
194.12672	1.0
195.13795	1.6
197.13286	2.4
199.14868	2.7
201.16385	2.4
209.13326	1.1
211.13245	36.5
227.12756	5.3
227.17839	1.2
241.19571	1.0
243.15689	1.1
243.21071	2.7
259.20572	2.2
261.22095	7.1
267.15891	8.6
275.19946	1.3
277.21533	2.0
279.23291	1.1
285.16962	1.3
285.22229	2.5
299.23770	1.4
301.25156	7.4
303.22992	1.3
317.24741	1.3
333.24039	2.1
335.25757	6.8
359.25577	1.5
403.25180	1.0
417.31506	1.6
435.32651	4.8
453.33487	8.7
471.34930	5.3
489.35580	1.1
509.36478	2.6
527.37280	31.2
528.37506	1.3
545.38287	100.0
546.38812	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	545.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
55.01854	3.3
55.05504	29.6
57.03436	11.0
57.07052	2.9
65.03915	3.7
67.05495	65.3
69.03410	5.0
69.07059	17.8
71.04980	7.6
79.05483	62.4
79.05854	0.7
81.03407	40.3
81.07047	63.8
83.04968	11.7
83.08611	21.1
85.02897	20.6
85.06532	3.4
87.04461	0.9
90.18928	0.9
91.05467	54.6
93.07032	57.3
95.04956	26.0
95.08594	41.4
97.02866	1.9
97.06526	6.5
97.10158	9.0
99.08086	1.6
100.30791	0.8
100.67455	0.8
103.05459	1.0
105.04503	1.6
105.07015	35.1
107.04955	4.8
107.08578	28.8
109.06509	5.2
109.10142	19.3
111.04433	2.0
111.08056	10.4
113.06014	2.2
115.05460	1.4
116.06248	1.1
117.06992	11.0
119.08561	29.0
121.06477	2.7
121.10122	24.5
122.10511	1.0
123.08050	2.5
123.11675	4.9
125.09612	6.1
128.06235	1.4
129.06987	9.8
131.08553	21.1
133.00235	0.9
133.06535	2.2
133.10110	21.2
135.08034	2.6
135.11671	12.4
137.09576	2.0
137.13194	1.1
138.39142	0.8
141.06998	1.0
142.07780	1.3
143.08566	4.7
145.10114	11.3
147.08017	2.4
147.11673	17.3
149.09634	5.4
149.10651	0.9
149.13232	5.6
150.95004	0.9
151.11177	1.7
155.08514	2.4
157.10089	11.5
159.11674	8.4
161.09578	1.1
161.13249	5.8
163.11121	1.7
163.14783	1.4
165.12726	2.0
167.08502	1.2
169.10103	2.6
171.11687	3.7
173.09535	1.0
173.13182	6.4
175.11154	11.0
175.14818	3.9
177.16399	0.9
181.10091	1.0
183.11736	1.4
185.13257	2.4
187.11220	1.1
187.14862	3.5
188.14523	1.1
189.11244	2.8
193.12219	44.4
194.12616	1.0
195.11583	1.3
197.13289	1.6
199.14877	1.2
209.13181	1.2
211.13258	43.1
227.12776	3.9
233.15329	1.0
243.21059	1.7
247.16887	1.2
249.15018	1.1
259.20627	1.0
261.22177	6.6
267.15787	7.1
277.21555	1.5
285.16971	0.9
285.21936	1.9
299.23669	1.1
301.25162	5.3
303.23157	1.1
317.24652	1.4
323.23544	1.2
325.25369	0.9
335.25800	4.1
435.32562	4.1
453.33804	5.1
471.34741	3.5
491.35233	0.9
509.36237	1.2
527.37189	21.4
528.36859	1.2
545.38293	100.0
546.38776	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	545.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.0
55.01855	6.5
55.05269	2.5
55.05502	31.7
57.03425	9.4
57.07050	4.8
57.71149	2.0
58.37432	2.0
65.03915	2.7
67.05494	73.8
69.07057	29.3
71.04964	6.7
79.05480	54.4
79.13351	2.0
80.81241	1.7
81.03381	5.0
81.07044	80.8
83.04955	6.3
83.08607	18.2
85.06496	5.1
91.05466	54.5
93.06433	3.5
93.07030	66.7
95.04967	9.7
95.08588	44.0
95.43157	1.8
96.08936	2.3
97.06508	8.6
97.10139	10.5
99.08055	2.1
105.07012	51.8
107.04926	4.1
107.08577	34.9
108.94911	1.8
109.06519	3.2
109.10141	20.0
111.08036	6.0
112.39336	1.9
117.07005	24.1
119.08562	42.8
121.06422	2.1
121.10135	27.1
123.11687	6.0
125.09611	2.9
128.06184	5.8
129.06973	18.5
131.07652	3.4
131.08556	43.4
133.06421	3.0
133.10100	34.5
135.08046	4.1
135.11674	17.7
137.09540	3.5
141.06940	8.1
142.07713	4.5
143.08543	23.5
145.10109	33.1
147.08044	2.6
147.11662	23.7
149.13243	19.1
151.11176	4.1
155.08521	10.4
156.09300	3.4
156.21609	2.1
157.10112	21.1
159.08057	2.4
159.11679	29.0
160.85904	1.9
161.13235	18.3
162.63818	2.2
163.14821	3.7
167.08533	3.4
169.10123	14.2
171.11658	20.5
173.09601	3.6
173.13234	18.3
175.14780	8.2
177.12733	3.3
181.10107	4.4
183.11659	11.1
185.13260	13.5
187.14825	6.7
189.16379	2.4
193.10176	2.6
195.11661	5.6
195.13765	6.6
197.13174	8.9
199.14844	10.0
201.16327	3.8
209.13203	5.8
211.14780	4.1
213.16382	3.6
217.15866	2.5
223.14810	4.2
224.98618	2.1
225.16328	4.0
227.17862	3.2
230.15109	2.2
237.16193	2.2
239.17894	2.7
241.19530	12.8
257.18811	2.9
259.20505	33.7
261.21927	2.6
267.15784	3.8
269.17355	24.8
271.20633	3.0
275.23105	1.9
277.21545	6.5
283.20432	2.7
297.21979	4.6
299.23557	2.3
301.25226	3.5
302.36826	2.1
311.23447	2.2
313.21667	3.1
315.23184	6.5
323.23605	2.5
327.23288	2.4
329.24460	2.2
333.24268	14.8
351.26950	2.4
407.32916	2.5
417.31519	5.6
425.34091	5.8
435.32486	19.5
443.35126	3.7
453.28604	2.3
453.33676	26.9
471.34772	18.5
497.36176	3.2
499.37274	3.9
501.35199	2.8
502.70114	2.6
509.35934	8.6
514.71185	2.0
515.36920	2.5
517.38574	10.2
527.37299	100.0
528.37671	3.9
545.38263	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.05508	7.3
55.48547	0.6
57.03430	1.4
57.07067	2.2
58.18074	0.6
61.02916	1.7
67.05494	2.7
67.80581	0.6
69.03426	4.4
69.07061	98.6
71.04977	1.0
71.24861	1.6
73.02883	0.6
73.06564	0.9
74.44600	0.6
75.17514	0.6
79.05482	0.6
81.03414	2.6
81.07047	2.0
83.04996	0.6
83.08617	1.4
85.02896	14.5
85.06536	3.7
85.06989	0.6
86.09696	0.9
87.04460	2.8
89.06021	83.1
91.05447	1.2
93.07015	1.4
95.08601	1.6
97.02877	3.9
99.04469	1.1
105.07024	0.8
107.07065	5.0
107.08580	1.5
109.02883	2.2
109.10155	1.7
111.11705	19.4
119.04964	1.0
119.08578	0.8
119.58892	0.6
127.03894	3.2
129.12766	4.7
130.08624	1.3
133.08588	41.4
136.06207	1.7
145.04968	1.5
145.10112	0.7
147.04359	1.1
151.09615	5.9
163.03917	0.8
163.79503	0.6
173.15344	1.2
177.11218	10.4
195.12346	3.6
199.16902	0.8
217.17987	6.0
221.13832	2.2
222.58943	0.6
239.12415	1.4
239.14868	27.1
261.20609	4.2
279.21588	1.5
323.20538	0.6
323.24277	1.9
349.25870	7.9
357.72708	0.7
367.26877	100.0
368.27090	2.2
546.33209	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	1.1
68.38089	1.1
69.03430	4.8
71.04983	1.4
71.69134	1.1
71.69505	1.0
73.02919	1.7
79.05477	1.5
81.02991	0.9
81.03415	4.5
81.07054	1.1
83.04963	1.9
85.02895	11.5
87.04448	1.6
91.03963	1.3
94.92999	42.0
95.04963	1.9
97.02883	4.4
98.97569	2.5
103.11162	1.0
107.04928	1.2
111.04440	2.2
119.01899	3.4
120.92606	2.3
121.06497	3.3
127.03888	4.1
131.01886	1.9
134.92474	1.7
136.94028	3.5
137.01958	1.3
138.93631	2.2
143.01883	3.1
145.04926	2.4
149.05975	5.1
152.93513	2.8
155.01878	1.6
157.03432	2.8
161.02968	3.3
163.02730	1.4
166.95114	1.5
167.07036	6.0
171.04961	1.2
173.02910	4.6
176.93491	27.8
177.00774	1.1
180.93008	4.3
185.02913	1.5
188.93486	2.1
192.93015	1.9
194.94647	2.2
203.03996	2.7
219.01842	1.1
221.05069	2.9
222.94022	34.2
234.94019	3.6
245.04930	4.7
246.05312	2.1
247.04739	2.2
248.93695	2.7
250.93539	15.8
253.04025	1.0
263.06174	2.1
264.95120	4.6
275.05997	2.1
282.96100	5.6
308.95767	11.2
339.98828	1.3
340.98401	75.3
349.09494	1.2
351.11365	2.4
365.09467	1.0
367.10153	0.9
425.11209	1.4
444.89478	1.2
468.99551	2.7
529.01617	9.0
547.02576	100.0
547.14032	48.6
548.02930	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	547.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.01860	3.0
55.05494	4.7
55.22242	1.3
56.05022	2.0
56.77869	1.3
57.03417	3.8
61.02907	4.8
62.76394	1.3
65.03946	1.9
67.05509	9.8
69.03411	17.3
69.07051	4.4
69.15234	1.1
69.50687	2.4
69.51094	9.5
70.06574	3.4
71.04984	5.2
72.08187	1.8
73.02876	3.0
78.91695	1.0
79.05476	10.8
81.03420	9.1
81.07041	24.6
83.04971	2.7
84.04466	1.7
84.08131	1.9
85.02895	40.6
85.06527	100.0
86.09677	2.6
87.04456	2.6
91.03947	2.4
91.05460	12.1
93.07036	16.9
95.04963	3.5
95.08588	23.4
97.02881	17.2
97.06529	4.4
99.04436	3.7
99.08044	2.5
101.02338	1.3
105.07011	18.0
107.08572	24.0
109.02852	4.1
109.06509	2.3
109.10130	8.7
111.04417	1.3
111.08060	4.1
115.01805	1.2
115.03889	2.2
117.07019	2.8
119.04916	4.6
119.08546	14.7
121.02657	1.2
121.06467	2.0
121.10136	7.9
123.08044	5.7
123.11703	1.5
125.05888	1.2
125.09602	7.4
127.03909	8.7
130.06549	1.4
131.04895	1.3
131.08594	7.4
133.10127	9.4
135.08035	2.5
135.11659	2.3
137.05983	2.3
137.09576	3.5
142.07800	1.3
143.08553	2.8
145.04944	6.5
145.10089	6.5
147.04367	4.3
147.11665	6.1
149.05962	2.1
151.03809	1.6
153.09122	2.8
155.08493	1.4
157.10135	1.8
159.11652	4.1
161.13156	6.4
163.03917	2.3
163.07536	1.5
163.11189	2.1
163.14819	3.6
165.09096	2.5
175.03905	5.3
177.05446	1.6
183.11696	1.5
185.13225	1.5
187.14848	4.7
189.16339	9.5
205.12192	1.8
205.15828	8.5
207.06483	11.2
207.17467	4.6
223.13377	2.8
223.16879	10.5
227.03825	1.3
229.10663	1.7
239.12758	3.2
257.13889	2.0
331.18948	1.4
357.02646	1.5
541.40674	1.4
547.21228	3.5
547.29028	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.5
54.31301	1.1
55.01861	3.0
55.05493	3.8
56.03719	1.0
57.03423	7.2
61.02921	6.7
67.05498	8.3
69.03416	23.9
69.07061	6.8
70.06551	1.7
70.70710	3.4
71.04984	7.5
73.02901	2.7
76.17932	1.1
79.05482	8.4
81.03397	11.4
81.07046	22.0
83.04953	2.4
83.08603	2.6
85.02890	62.6
85.06526	100.0
86.09695	1.6
87.04445	3.9
91.03936	2.1
91.05473	10.6
93.07021	12.3
95.04943	1.6
95.08593	18.7
97.02876	24.5
97.06512	3.8
99.04414	3.0
99.08063	3.7
101.02353	1.2
103.03934	1.4
105.07011	15.3
107.08578	18.4
109.02865	8.7
109.06528	1.7
109.10155	5.9
111.08051	11.1
115.03912	1.9
117.07014	2.8
119.08572	12.6
120.29040	1.1
121.10098	5.5
123.08060	3.1
125.09631	6.2
127.03035	1.2
127.03900	14.1
129.10214	1.2
131.08528	7.8
133.10114	9.5
135.11681	3.2
137.09554	3.2
140.07004	3.0
143.08531	2.6
145.04944	16.0
145.10063	9.3
147.04378	1.6
147.08022	1.2
147.11646	4.0
149.09560	1.9
151.11090	1.7
157.10129	1.3
159.11687	5.7
161.13255	6.0
162.82306	1.0
163.03860	1.5
163.11130	1.7
163.14839	1.7
168.06541	7.5
175.14653	1.1
179.14331	1.7
184.30334	1.3
185.09543	1.1
187.13239	2.7
187.14784	8.6
188.13510	1.4
189.16344	6.8
205.15860	9.9
207.17369	4.8
211.86020	1.2
223.16893	27.1
229.10660	2.0
355.64255	1.4
385.22125	2.0
533.19672	1.2
547.20355	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01861	8.1
55.05507	16.5
57.03427	10.1
57.07063	3.5
57.49911	1.5
65.03924	4.2
67.05135	3.3
67.05494	59.8
69.03418	2.5
69.07055	22.2
69.54419	10.2
69.54834	3.7
71.04967	7.3
71.08672	1.5
79.05479	39.6
81.03382	1.8
81.07044	60.5
81.35322	1.5
83.04971	9.9
83.08595	4.8
85.06545	7.7
91.05463	65.4
92.05802	1.8
93.07028	47.3
95.04950	8.4
95.08595	22.1
96.05228	1.8
97.06499	4.6
97.10149	3.9
99.04494	2.1
99.08070	3.0
105.07011	74.4
107.04929	3.6
107.08576	48.3
109.06500	4.0
109.10138	65.6
109.10881	3.7
111.08102	2.2
113.05981	2.7
115.05487	2.0
117.06999	9.7
119.08566	40.6
121.06506	2.3
121.10134	16.0
123.11684	9.8
125.09548	2.2
127.07542	4.9
128.06226	2.4
129.06985	7.5
131.08530	15.2
133.10109	100.0
135.08006	1.8
135.11673	16.0
137.09586	3.6
143.08543	6.5
145.10098	15.9
147.11662	33.5
149.13205	8.4
151.11157	36.5
156.95802	1.6
157.10106	7.2
159.11688	12.3
161.09615	3.1
161.13240	27.0
163.11072	1.6
163.14757	2.8
169.10114	3.0
169.12218	8.8
171.11705	8.8
173.13219	8.2
175.14764	12.9
185.13284	6.8
187.14799	5.2
189.12805	2.2
199.14853	3.2
213.16417	2.1
214.43449	1.7
215.12741	3.3
217.19469	2.4
231.21056	8.5
241.19444	32.4
253.14319	70.7
257.19144	2.0
259.20563	57.6
271.15363	49.9
275.20065	4.1
277.21606	6.5
315.23007	4.8
318.52524	1.7
331.26462	1.7
333.24142	31.9
350.34042	1.8
383.36887	1.7
437.30252	2.6
455.31161	2.6
511.34198	6.8
529.35193	20.6
547.37122	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	547.3624
Annotation	Agosterol C7
Peak:m/z	Relative Intensity
53.03936	3.6
54.66222	2.4
55.01868	7.4
55.05504	22.3
55.66109	2.3
57.03418	9.4
57.07064	5.2
65.03914	3.4
67.05491	73.0
69.03416	3.5
69.07067	26.0
71.04982	9.3
71.08611	4.2
71.71268	3.7
79.05477	44.6
79.33679	3.2
81.03410	4.5
81.07046	69.5
82.07367	3.2
83.04973	19.1
83.08592	10.4
85.06528	9.1
87.04456	2.8
88.13778	2.6
89.06013	7.8
91.05469	71.4
91.18843	2.2
93.07034	49.7
95.04953	10.5
95.08599	32.9
97.06516	6.0
97.10159	5.8
99.08078	2.9
99.24107	2.7
105.07017	73.8
105.07719	4.6
105.80315	2.2
107.04930	4.0
107.08577	55.6
107.09248	4.7
109.06512	11.7
109.10140	61.7
111.08034	5.2
117.07031	14.7
119.08565	46.5
121.06474	2.8
121.10104	27.1
121.75932	2.8
123.11688	12.2
125.09618	7.4
129.07004	11.0
131.08534	21.2
133.08592	4.9
133.10115	100.0
134.10490	2.6
135.07991	3.1
135.11665	17.7
143.08543	11.6
145.10075	24.5
147.11671	36.8
149.13264	10.2
151.11142	32.8
155.08630	3.3
157.10104	11.3
159.11664	20.6
161.13255	32.2
163.11197	3.3
163.14711	5.2
169.10106	2.9
169.12254	8.3
171.11684	14.9
173.13268	10.8
175.11143	2.8
175.14868	12.8
179.10786	3.1
180.19145	2.9
183.11674	5.5
185.13231	13.6
187.14778	8.1
189.12740	3.9
189.16306	4.1
191.14214	2.7
199.14841	10.5
199.16890	7.0
201.16425	6.7
203.14229	4.3
213.16405	6.3
215.12730	5.3
231.21065	9.1
241.19490	28.8
253.14308	64.7
259.20541	58.6
271.15344	47.5
275.20209	3.7
277.21582	7.3
286.18579	2.6
315.04919	2.9
315.23026	5.3
333.24179	34.5
341.28445	5.5
351.25201	4.9
395.28436	2.4
405.31323	4.8
440.70203	3.1
469.33145	11.8
511.34097	7.2
514.00128	2.5
529.35284	18.2
547.37677	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	547.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.01868	7.1
55.05504	36.1
57.03432	4.1
57.07064	6.8
59.04998	1.4
65.03934	1.8
67.05135	2.4
67.05495	37.5
67.05846	2.2
69.03417	2.0
69.07058	26.8
70.28193	1.9
70.28550	5.1
71.04994	2.4
71.08624	3.5
79.05482	29.5
79.05923	1.5
81.03407	11.3
81.07047	44.8
83.01346	3.5
83.04959	6.4
83.08612	21.6
85.02895	2.5
85.06526	1.6
85.10194	1.6
91.05473	21.1
92.56643	1.3
93.07031	32.1
95.04961	13.0
95.08595	33.9
97.02888	1.4
97.06554	4.5
97.10153	16.1
98.21394	1.0
99.08108	2.4
99.84929	0.9
105.07024	18.0
107.04931	6.3
107.08573	22.3
107.09228	1.6
109.06539	4.8
109.10147	21.3
111.04413	1.6
111.08080	3.2
111.11736	3.9
115.05436	1.4
117.07001	6.7
119.08570	19.8
121.06519	3.1
121.10123	15.0
121.10835	1.4
123.08092	4.4
123.11736	4.8
125.09634	7.3
128.06288	1.4
129.07033	2.6
130.07767	1.1
131.08534	8.6
133.10110	10.0
135.08102	2.1
135.11670	15.2
137.09622	2.3
137.13229	2.0
141.07033	1.5
142.07706	1.2
143.08557	4.6
145.10120	16.2
147.08049	1.9
147.11671	5.8
147.85588	1.1
149.09660	1.1
149.13286	3.4
151.14845	1.5
153.12726	2.4
155.08633	3.4
156.09337	1.9
157.10133	4.5
159.11737	4.1
160.12326	1.2
161.13286	2.2
163.11168	13.9
163.14883	2.3
165.16435	1.2
167.08635	1.6
169.10213	4.1
171.11737	3.2
173.09718	3.1
173.13315	4.0
175.14810	1.8
180.09521	1.4
181.10100	1.6
181.12320	1.6
183.11736	3.1
185.13286	2.2
187.14871	1.5
189.11217	6.1
191.10716	2.7
193.12312	3.3
195.11839	3.6
196.96286	1.1
197.13380	3.0
199.14845	2.7
201.16226	1.6
207.11755	2.5
208.12596	1.7
209.11766	2.9
209.13350	3.5
211.14963	2.1
213.16405	2.0
219.11911	1.6
221.13342	2.6
223.14920	1.7
225.16368	1.5
227.12732	12.9
229.10243	1.2
233.13313	1.5
235.14938	2.0
237.16429	1.4
244.12517	1.4
247.24522	1.7
249.16582	1.6
265.25357	4.4
267.15881	5.7
276.90533	1.0
277.19455	1.1
301.25348	2.2
303.26840	5.7
337.27411	3.6
437.33936	2.2
455.35455	5.8
473.36371	3.5
491.37485	1.3
529.38879	14.6
547.39960	100.0
548.40430	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74874	1.9
53.03932	6.4
55.01855	4.4
55.05503	34.9
57.03420	6.0
57.07079	9.9
62.25911	1.8
65.03912	4.1
67.05496	100.0
69.07054	31.9
71.04985	39.0
71.08613	4.4
71.72127	3.5
71.72479	2.1
72.70962	2.1
73.68770	2.0
79.05482	62.3
81.03409	10.6
81.07043	69.4
83.04964	8.6
83.08617	21.4
85.02869	4.9
85.06521	5.2
86.17138	2.1
91.04922	4.2
91.05467	55.6
93.07035	73.5
95.04970	15.4
95.08588	55.3
97.02873	2.2
97.06522	8.2
97.10157	12.6
99.08094	2.6
105.07010	25.5
107.04919	6.4
107.08582	38.1
109.10134	46.2
111.08091	2.8
117.06989	11.0
119.08569	32.2
121.06519	2.9
121.10129	27.8
123.11699	7.4
125.09602	3.6
129.06970	4.4
131.08551	10.5
133.10133	13.1
135.11674	35.3
137.09567	17.9
137.13228	3.1
143.08559	3.8
145.10124	20.5
147.11668	8.8
149.13200	5.4
157.10167	4.3
159.11690	3.2
161.13194	5.7
163.09930	3.1
163.11171	26.7
163.14847	2.7
169.12231	5.8
171.11742	2.6
171.73802	1.9
173.11861	2.2
173.13257	5.3
175.14742	4.7
181.12196	7.8
193.12228	5.5
207.11565	2.3
211.13245	5.3
227.12769	43.3
255.21332	2.6
261.22025	2.5
263.23532	3.0
267.15854	5.8
337.27167	3.7
352.26718	2.5
400.23715	2.1
455.34860	4.2
458.96664	2.3
503.37094	12.7
515.37115	7.5
529.39105	14.6
547.40112	79.3
548.39478	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	549.123
Annotation	Pratensein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03927	0.2
55.01822	0.2
55.47853	0.2
57.03441	0.2
60.04488	0.2
67.05488	0.4
68.99287	0.2
69.03412	0.5
69.07043	0.3
69.41077	2.0
71.04972	0.4
71.41104	0.2
73.31999	0.2
76.99030	0.2
79.05459	0.4
81.03391	0.3
81.07034	0.4
83.04954	0.4
85.02885	1.0
85.06515	0.3
91.05452	0.5
93.07018	0.6
95.04933	0.4
95.08577	0.3
95.90728	0.2
97.02851	0.4
97.06512	0.2
99.04437	0.3
99.08089	0.2
103.05428	0.2
105.07000	0.5
107.04927	0.3
107.08543	0.2
109.02855	0.5
109.06446	0.3
109.10165	0.2
111.04348	0.3
117.07005	0.2
119.08544	0.6
119.15859	0.2
121.06438	0.4
121.10066	0.2
122.03607	0.5
123.04391	0.2
127.03876	0.5
128.25473	0.2
131.04897	0.2
131.08559	0.2
133.10103	0.3
137.05952	6.8
140.10684	0.2
143.04944	0.3
145.06474	0.2
145.10138	0.3
147.04375	0.6
147.08054	0.2
149.05974	0.3
151.03825	0.5
153.01813	0.6
159.11644	0.4
161.05974	0.2
163.03810	0.2
163.07579	0.2
167.07007	1.0
173.13271	0.3
177.05452	0.3
181.04939	0.8
191.06989	0.4
205.08537	0.3
215.06958	0.3
223.13216	0.2
229.04805	0.3
255.11440	0.2
257.04211	0.2
257.12726	0.2
258.05206	12.4
259.05505	0.2
269.04538	0.2
285.12018	0.2
286.04669	31.9
287.05029	0.3
290.52814	0.2
297.35114	0.2
301.07013	100.0
301.43317	0.2
302.07416	1.4
357.13284	1.0
387.14307	0.5
391.72382	0.2
411.15369	0.2
434.84045	0.2
463.12408	1.8
517.18353	0.6
549.12122	2.2
549.19659	2.0
549.27106	0.3
576.70020	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08524	1.4
53.03910	1.9
54.10305	1.6
55.01856	12.0
55.05502	2.3
57.03427	3.5
61.02906	3.6
65.03930	3.4
67.05497	3.3
68.99783	55.0
69.03416	8.8
69.07056	3.4
70.74107	5.3
71.04976	2.0
73.77113	1.5
79.05485	7.1
81.03410	6.9
81.07052	6.3
82.67940	1.6
83.04947	2.7
85.02900	18.0
85.06495	7.7
89.03896	1.4
91.05476	7.3
93.07025	5.9
95.04951	6.2
95.08584	4.8
97.02872	6.8
97.06496	2.4
99.04427	2.2
103.05426	2.6
105.07020	6.4
107.04923	5.3
107.08580	5.8
109.02864	3.7
109.10163	3.6
111.04425	3.0
111.08054	2.1
114.25991	1.8
115.05434	4.5
117.07001	10.5
119.04914	15.1
119.08595	3.2
121.02858	2.0
121.10171	2.0
122.03645	1.7
123.04414	14.6
123.75618	1.5
125.09607	2.0
127.03872	3.9
129.07074	2.1
131.04892	7.5
131.08551	2.4
133.06506	4.7
133.10097	1.9
135.04398	54.5
137.05920	9.0
140.02560	1.6
143.04929	6.6
145.04912	2.6
145.06445	14.6
145.10156	2.7
147.04385	35.9
149.02321	98.5
151.03935	2.6
157.06525	1.9
159.04381	3.5
161.05930	9.1
163.03850	4.9
163.14700	1.8
165.05452	3.4
167.07022	4.5
167.10645	1.8
173.05997	8.5
175.03868	9.2
175.07506	8.8
177.01863	4.1
177.05463	30.3
177.06978	2.4
181.04988	2.5
187.03850	7.2
189.05469	6.2
191.03363	100.0
191.06927	8.4
192.03683	2.3
201.05432	5.3
203.06946	8.5
205.06529	5.4
217.04881	6.9
221.05954	1.8
227.11749	3.2
229.05000	5.9
233.06013	3.8
235.07639	3.1
241.09720	5.2
247.07710	3.4
251.07086	5.3
255.11328	11.3
263.06906	9.8
275.07068	10.4
279.06503	5.5
281.04333	3.4
282.05234	2.1
283.10721	10.0
291.06552	12.1
291.09402	2.5
293.07999	3.6
297.84833	1.6
301.07050	2.7
303.06558	9.2
305.08267	3.3
309.07452	19.5
321.07532	18.2
323.09103	3.0
333.07523	10.9
339.08545	22.7
351.08450	12.0
357.09625	27.2
369.09558	9.5
387.10504	8.3
424.69644	1.7
427.14899	1.9
445.15775	3.1
531.19653	2.4
549.20502	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.2
53.03918	0.5
55.01849	0.6
57.03410	0.8
57.52351	0.2
65.03923	1.0
66.04699	0.6
67.05492	0.5
69.03413	2.9
70.66469	0.7
70.66833	0.2
71.04977	0.3
73.02896	0.5
78.04663	0.2
79.05461	0.7
81.03400	1.3
81.07021	0.5
85.02889	5.1
87.04445	0.7
91.05482	1.0
94.04165	2.9
95.04954	0.5
97.02886	2.0
99.04433	0.5
103.05452	0.3
105.07017	0.7
107.04940	0.5
107.08585	0.3
109.02852	0.5
109.06506	0.3
110.03674	0.2
115.05415	1.6
117.07007	1.7
119.08607	0.2
121.06524	0.2
122.03631	6.8
123.04358	0.3
123.08031	0.7
125.05959	0.4
127.03874	1.1
133.06465	0.4
133.10088	0.4
135.08081	0.2
137.05954	100.0
138.06310	1.2
139.91069	0.2
142.02669	0.3
143.04895	3.5
144.05585	0.2
145.04915	0.8
145.06461	2.2
145.09952	0.2
147.08035	0.6
151.03883	1.9
151.07526	0.9
153.05444	0.5
155.06029	0.7
161.05942	0.5
163.11154	0.7
167.07018	8.7
171.04419	0.3
171.06516	0.9
173.05956	3.8
175.07602	1.2
181.04927	14.4
181.12206	0.4
189.05460	0.3
189.12685	1.2
203.07031	1.3
205.08569	2.1
207.13803	1.6
233.08066	1.1
235.09586	3.2
239.09137	0.2
266.09387	0.2
267.09964	0.3
325.10568	0.4
357.13278	14.0
369.18982	0.7
387.14319	8.4
387.19501	0.4
492.06778	0.2
519.18469	0.8
549.19574	38.7
550.19885	1.0
564.18500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25488	0.8
55.05494	1.3
55.99885	0.9
61.12845	0.9
67.05496	2.2
69.03413	2.7
69.07047	1.2
69.54232	6.0
69.54652	1.7
70.07640	0.9
79.05493	2.4
81.03402	3.9
81.07054	3.2
85.02885	2.7
89.03895	8.9
91.05440	5.6
93.07042	1.8
95.08581	1.5
97.02898	2.1
97.06545	1.6
100.49873	0.9
103.05441	1.2
105.06999	2.6
106.04091	1.2
107.08595	1.6
108.28429	0.9
109.02866	3.8
109.10135	1.4
115.05400	1.0
117.03357	23.0
119.04924	6.9
119.08546	1.9
121.10052	1.5
127.03867	2.6
128.06241	1.4
131.08540	1.0
133.10178	1.1
134.03546	1.6
135.04420	2.7
137.05978	3.6
145.02831	52.9
145.10072	1.2
147.04387	30.3
149.05957	7.9
150.02734	0.9
151.07516	3.6
157.06552	1.2
161.05931	1.7
163.03879	2.4
163.07516	1.0
165.05539	1.1
165.09039	1.5
167.06992	0.9
175.07520	1.6
177.05443	100.0
178.05846	1.2
179.07002	4.6
186.05479	2.4
187.07571	1.1
189.06660	1.0
193.08556	2.1
215.06905	0.9
217.08546	1.8
231.10135	2.1
241.08507	1.3
259.09604	6.9
261.07874	1.1
268.73639	0.9
277.10617	1.6
309.09708	1.4
311.28226	1.0
381.11758	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	549.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.2
55.01860	3.8
57.03436	6.4
59.04997	1.9
61.02892	9.0
66.45855	1.3
67.05486	3.7
69.03418	28.2
71.04973	4.6
71.61497	1.9
73.02898	2.7
79.05483	4.6
81.03400	13.1
81.07037	6.0
83.01312	1.9
83.04967	2.8
85.02889	100.0
85.06512	2.3
86.30763	1.5
87.04456	5.4
91.03930	5.8
93.07021	4.9
94.04205	1.7
95.04975	2.6
95.08607	7.2
97.02875	34.2
97.06519	5.3
99.04451	6.7
103.03915	3.0
105.06989	7.6
107.08594	4.2
109.02874	11.5
109.06500	5.8
109.10176	1.9
111.04411	1.9
115.03873	1.4
117.07018	1.6
119.08551	4.5
121.06485	3.8
121.10131	5.6
122.03604	3.9
122.07254	1.4
123.08046	42.3
125.05949	4.3
127.03897	28.4
131.08566	3.9
133.06458	3.8
133.10112	5.6
135.08043	3.2
135.11668	1.6
137.05952	62.8
138.06274	2.1
145.04933	39.0
145.10101	2.5
147.11662	5.0
149.09647	2.8
151.03899	2.7
151.07515	75.4
153.09042	3.6
157.27638	1.6
159.07990	1.7
161.13269	2.2
163.05989	6.6
163.11151	18.2
165.12769	1.8
167.07027	5.2
171.06554	2.0
171.11649	1.8
173.06042	2.3
173.13159	1.7
181.04967	8.5
181.12180	8.7
188.20923	1.6
189.12726	20.4
191.14328	3.0
192.11490	2.1
207.13780	65.6
209.15364	7.5
223.13158	2.5
225.14845	15.8
235.09550	2.1
264.88858	1.4
299.88489	1.4
313.12549	1.8
351.18066	1.6
357.13382	10.9
369.19107	6.0
387.14389	4.2
387.20068	10.1
531.23834	4.0
549.18127	20.2
549.25531	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	549.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
55.01871	2.8
55.05504	35.6
57.03419	8.4
57.07069	10.8
65.03923	2.3
67.05492	48.8
69.03403	3.9
69.07056	41.3
71.04981	6.0
71.08614	4.7
71.53745	1.5
79.05480	29.4
81.03404	46.7
81.07045	52.6
83.04980	7.7
83.08099	2.0
83.08606	38.7
85.02895	22.2
85.06545	2.7
85.10157	2.9
91.05470	24.8
93.07036	21.3
95.04958	20.6
95.08588	42.7
97.02865	1.5
97.06527	4.4
97.10160	17.7
98.21471	3.5
105.07019	19.5
107.04929	5.3
107.08560	14.5
109.06525	4.3
109.10130	22.0
111.04421	2.4
111.08081	11.3
111.11710	4.7
113.05998	4.2
113.09628	2.5
116.92210	1.6
117.07021	3.4
119.08568	15.5
121.10125	18.9
123.08045	2.6
123.11701	7.7
129.06970	7.9
131.08604	7.7
133.06429	1.6
133.10121	10.5
135.11662	10.9
137.13300	2.4
145.10069	2.5
147.08084	2.7
147.11652	9.2
149.09624	2.3
149.13260	3.5
151.11182	2.4
157.10094	9.7
165.12762	4.3
175.11177	10.3
193.12216	45.2
211.13271	50.3
247.24258	3.7
253.14276	4.9
261.22156	2.4
265.25104	8.9
267.15906	7.0
271.15332	2.3
335.25726	2.1
339.28995	3.1
457.36935	3.7
509.93405	1.8
531.40186	5.8
549.24152	3.4
549.41461	100.0
550.41895	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	549.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10340	3.4
53.03935	4.9
55.05509	44.0
55.25933	3.4
57.03415	9.4
57.07050	13.7
58.88347	3.4
59.13874	3.7
65.03934	4.8
67.05493	50.4
69.03395	4.3
69.07057	45.6
70.15710	4.1
71.04971	8.9
71.08613	7.2
79.05482	39.3
81.03409	49.8
81.06610	4.8
81.07043	63.2
83.04971	10.6
83.08614	49.3
85.02895	28.6
91.05467	42.0
93.07030	32.3
95.04978	21.2
95.08590	57.2
97.06522	7.6
97.10144	23.3
97.56840	3.5
99.08032	4.2
105.07008	26.5
107.04969	5.4
107.08575	17.1
109.06503	5.8
109.10139	23.4
111.08090	8.1
119.08549	17.8
121.10107	17.6
123.11718	6.8
129.06993	15.0
131.08557	7.8
133.10086	11.0
133.57491	3.9
135.11676	16.1
142.93608	3.7
145.10126	5.2
147.11661	14.7
157.10127	9.8
171.11642	6.6
175.11154	12.3
193.12207	48.1
198.69771	3.8
207.13774	10.1
211.13243	52.8
212.37685	4.2
240.26073	3.3
247.24187	4.3
265.25140	7.6
267.15930	9.4
274.30817	4.3
281.17432	13.6
309.41260	4.0
325.27396	12.5
335.21002	4.4
339.28976	5.2
531.40594	23.7
549.41443	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1024
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03929	2.2
55.01867	2.7
57.03426	1.6
61.02905	1.2
62.05919	0.3
63.98873	0.3
65.03909	0.3
67.05482	0.4
68.99777	1.6
69.03418	7.7
70.85506	0.4
70.85833	0.9
71.04971	1.2
73.02898	2.2
81.02943	0.6
81.03408	9.9
85.02893	14.0
87.00324	0.5
87.00815	6.7
87.04451	0.4
91.03929	0.5
93.03393	0.4
93.06988	0.3
95.04932	0.6
95.08562	0.4
97.02882	5.3
97.06411	0.3
97.59595	0.3
99.04455	2.9
105.01846	3.4
105.07016	0.4
106.97858	0.4
109.02862	7.5
111.00772	0.9
117.01849	0.7
121.02837	1.1
121.10078	0.4
123.08047	0.4
127.03898	10.9
129.01830	0.7
133.06538	0.3
137.02332	3.8
137.05937	0.5
145.04907	2.4
147.02875	0.4
147.04491	0.3
151.03802	0.3
153.01804	4.4
153.05450	0.4
155.04956	0.3
159.02872	4.4
161.05966	0.4
163.03856	0.8
163.82207	0.3
165.01880	2.0
173.05949	0.8
183.02866	1.3
187.03893	0.5
199.08646	0.7
201.05399	1.8
205.05029	0.4
207.13893	0.3
213.10231	0.6
227.08000	0.9
227.11632	0.5
227.16475	0.4
229.04916	4.1
229.09749	0.4
231.05052	0.9
241.09702	1.1
247.05971	0.6
255.07509	0.4
255.11209	1.4
257.04443	2.8
265.09747	0.4
269.09064	0.9
270.97275	0.3
274.04703	0.9
283.07813	0.4
283.10718	2.2
285.03815	1.0
303.04947	100.0
304.05243	1.6
311.10254	1.9
313.11819	1.2
329.11249	1.0
339.09711	1.2
345.06149	0.4
357.10516	0.7
371.12253	0.8
389.12894	0.7
427.15375	0.5
431.14340	0.5
455.14465	0.7
457.15866	0.7
483.14026	1.2
485.55963	0.4
497.42801	0.3
501.14890	0.5
515.16846	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
53.80111	1.8
55.01860	1.5
56.82073	1.7
56.96559	40.6
57.03429	2.4
61.02916	3.8
67.05500	1.8
69.03423	9.1
70.06561	1.9
70.43202	2.4
70.43592	4.9
70.98106	2.7
71.04977	2.9
73.02895	3.7
74.97610	2.0
79.05484	4.2
81.03406	27.9
81.07031	2.4
82.03729	1.6
84.96015	7.8
85.02895	20.3
86.53611	1.8
87.04440	3.1
88.99149	3.4
91.03931	2.4
91.05471	5.6
93.07029	4.0
95.04967	9.0
97.02882	11.8
98.97568	48.0
100.99124	3.9
107.04948	4.9
109.02858	3.0
109.06496	2.5
110.97553	6.9
111.04440	7.1
112.99126	26.9
116.98606	35.0
119.00154	3.6
119.04889	3.9
121.06478	6.8
123.04416	11.4
123.61678	1.8
127.03873	6.6
128.98581	16.9
131.00156	62.0
131.04921	4.0
133.01686	3.7
134.99631	19.2
136.06221	2.7
137.05988	5.9
143.00146	6.9
143.01881	2.6
144.98083	13.7
145.04970	3.2
146.99648	14.1
149.01213	63.1
149.05959	9.1
150.06328	2.3
151.07526	2.3
153.00696	3.3
154.01781	3.5
157.03488	2.3
158.99654	16.0
161.01227	11.8
161.02966	3.7
162.99136	22.1
163.02757	3.1
165.05478	3.1
167.02341	4.8
167.07030	10.4
168.07376	1.8
170.99672	5.6
171.05002	1.8
172.02760	1.9
173.01215	52.9
173.02702	2.7
174.99106	1.7
175.02776	2.3
175.04492	2.1
177.00700	26.0
179.02156	2.2
181.00183	7.1
185.01225	4.7
186.99213	5.7
187.02777	2.1
189.00720	6.5
191.02251	69.7
195.01706	2.5
197.01254	1.9
201.00757	4.5
203.02237	3.2
205.00177	31.3
209.03326	3.0
214.03925	6.4
215.02229	3.9
219.01736	30.5
221.01186	2.0
221.04996	1.9
223.01106	45.6
223.02795	6.9
228.01799	2.5
229.00121	1.5
229.03760	3.6
231.05392	2.6
233.03336	30.5
237.02800	57.6
238.03189	2.1
241.02039	5.8
241.04253	11.5
243.01726	3.1
247.01239	23.0
255.03870	4.7
259.04865	4.4
261.02808	10.2
265.02127	18.2
272.06534	2.6
275.04437	4.0
277.05994	3.4
279.03925	7.8
279.09933	1.8
282.06665	2.5
283.04788	8.9
286.10046	2.0
286.59912	2.1
288.03815	2.3
293.05380	3.7
295.04639	2.1
301.05881	3.8
303.03952	4.5
307.03299	8.4
360.11795	1.6
371.06464	11.5
403.08990	15.1
421.10150	57.4
444.11871	4.7
463.11115	15.3
533.11749	21.2
551.12793	100.0
552.13275	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	551.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85067	0.9
54.74329	0.7
54.84493	0.8
61.67938	0.8
69.35223	10.0
79.43153	0.9
98.21463	1.7
98.50543	0.8
118.06526	14.9
121.06487	1.0
130.14059	0.7
132.08066	3.9
142.06540	1.5
143.07274	2.5
144.08057	10.7
146.05986	50.9
159.09145	4.8
160.84319	0.8
170.05994	4.2
188.07039	100.0
189.07439	1.4
205.09695	46.5
241.94637	0.8
409.53592	0.8
535.97809	0.9
549.92847	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37418	1.8
53.03936	4.6
55.05502	11.3
57.07064	10.1
57.84905	2.6
61.65502	2.0
65.03928	3.8
67.05496	26.5
67.70252	2.0
69.07049	21.1
78.44593	2.1
79.05474	25.2
81.03406	3.1
81.07047	41.3
83.08616	10.6
84.10843	2.5
85.06547	3.4
91.05466	42.0
93.07029	58.1
94.07329	2.2
95.04939	6.5
95.08588	47.6
98.20661	5.2
103.05425	2.7
105.07011	78.1
106.07326	2.2
107.08582	62.8
109.06466	2.3
109.10142	45.5
115.05399	5.8
117.07005	13.6
119.08560	100.0
121.10127	47.1
123.08044	3.6
123.11725	13.3
128.06233	6.6
129.06958	12.6
130.07774	5.7
131.08521	27.1
133.10109	56.1
135.11679	38.1
137.09558	3.5
141.06966	5.3
142.07738	12.8
143.08533	28.3
144.09340	6.8
145.10101	68.4
147.11667	21.9
149.09654	2.2
149.13222	5.7
153.06972	3.4
154.07730	3.3
155.08493	10.1
156.09360	9.6
157.10092	38.7
158.10835	4.5
159.11679	37.6
161.13223	13.7
167.08569	5.3
168.09319	4.7
169.10077	18.0
170.10913	6.1
171.11671	24.8
172.12366	2.6
173.13243	23.7
175.14801	40.0
179.08539	5.1
180.09236	3.0
181.10077	11.7
182.10858	5.0
183.11617	19.3
184.12425	3.0
185.13263	15.1
187.14746	15.3
189.16406	4.9
191.14478	2.6
193.10115	6.2
194.10898	6.2
195.11627	12.1
196.12413	6.0
197.11697	3.1
197.13239	17.2
198.13948	2.6
199.14774	8.6
201.16330	15.9
201.26010	2.0
205.15782	2.7
207.11710	5.9
208.12413	6.1
209.13225	16.0
211.14867	9.8
213.16360	5.1
219.11609	2.9
219.17346	4.0
220.12541	2.6
221.13310	5.9
223.14882	10.1
225.16385	6.1
231.11806	2.1
232.12239	2.4
233.13211	3.0
234.13933	3.8
235.14816	7.4
237.16345	7.9
239.17892	5.3
241.19446	4.4
247.14761	2.7
249.16440	3.8
251.18033	3.0
253.19525	6.7
257.19116	2.4
259.20496	2.4
261.16290	5.1
263.17886	3.7
267.21118	4.3
271.20514	2.9
274.16977	2.5
275.17899	4.1
277.19647	2.9
285.22052	4.9
345.25751	3.1
403.30124	3.2
459.36212	3.2
462.24649	2.2
495.36142	4.4
533.41461	6.1
551.42407	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45605	0.6
53.03929	2.4
55.01855	2.7
55.05235	1.0
55.05502	17.3
57.03435	6.6
57.07064	44.5
59.72095	0.6
59.80416	0.7
65.03906	1.1
67.05136	1.5
67.05494	29.4
69.03401	2.3
69.07053	11.9
70.84834	2.3
71.04980	4.6
71.08620	29.3
71.09016	1.6
72.35594	0.8
79.05481	15.0
81.03403	41.6
81.07043	38.8
81.07539	1.6
83.04968	8.1
83.08607	21.8
85.02890	22.5
85.06537	1.4
85.10169	18.6
91.05466	19.2
93.07027	11.1
95.04395	1.2
95.04956	17.1
95.08590	28.9
97.02863	2.4
97.06519	3.1
97.10153	10.8
99.11740	0.8
105.07010	12.4
107.04944	4.0
107.08578	5.7
107.88416	0.6
109.06498	3.0
109.10143	12.5
111.04401	1.9
111.08057	7.2
111.11671	3.2
113.05994	1.9
114.82936	0.8
115.05469	0.9
119.08551	12.5
121.06487	0.9
121.10120	6.6
123.08047	1.8
123.11685	4.9
125.13303	0.7
129.06969	6.6
131.08534	6.5
133.06487	1.4
133.10094	5.0
137.09644	1.7
137.13246	2.4
139.45328	0.6
142.07771	2.1
145.10078	1.4
147.08046	1.6
147.11676	9.2
149.09579	4.1
157.10106	8.3
159.11664	0.6
163.11165	1.2
165.12733	2.1
165.16385	0.8
175.11148	9.0
193.12212	42.5
194.12604	1.1
211.13249	46.4
227.12617	0.8
238.35516	0.7
239.80441	0.7
243.15884	0.8
267.15833	4.0
267.26804	3.5
341.30466	4.0
382.27527	0.7
533.41937	2.2
551.43024	100.0
552.43182	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72300	0.2
51.02380	0.5
53.03944	0.5
55.01869	1.1
57.03434	0.5
61.02925	0.5
66.57738	0.2
69.03419	1.3
71.08273	0.3
71.08629	0.5
73.02900	0.2
77.03928	0.4
79.05469	0.3
81.03416	0.5
81.07052	0.3
82.03822	0.2
85.02895	3.2
91.03926	0.2
91.05462	0.3
93.07050	0.3
95.04967	0.8
97.02880	1.1
99.95584	0.2
103.05454	32.1
103.42028	0.2
104.05787	0.5
107.04964	0.5
109.02862	0.7
111.04399	0.3
117.07036	0.5
121.06606	0.2
123.04427	0.5
127.03904	0.5
128.06233	0.3
129.06995	0.7
130.07373	0.4
131.04910	100.0
132.05251	1.1
135.04376	1.1
136.10374	0.2
137.05960	2.1
138.06245	0.5
145.04922	0.7
145.06459	0.4
147.04379	0.5
147.08107	0.2
149.05959	0.7
151.03889	1.6
157.06435	0.6
158.06761	0.3
159.04442	0.2
161.05980	0.5
163.07520	46.5
164.07829	0.6
167.07031	2.1
168.07365	1.1
173.05939	0.4
175.07466	0.3
177.05475	1.0
178.05928	0.3
178.08911	0.2
180.08592	0.3
181.04915	0.9
182.05293	0.3
185.05896	0.3
189.05443	0.9
189.09073	0.4
200.73073	0.2
201.05429	1.8
203.07042	0.6
219.06482	0.3
231.06462	0.3
262.09256	0.3
322.11411	0.3
371.14847	1.7
372.15167	4.7
552.30621	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.2
67.05492	3.5
69.03419	5.8
69.07059	14.3
70.06572	2.0
70.30698	8.8
70.77872	1.6
71.04994	11.0
77.03931	2.2
79.05488	5.2
81.03396	3.0
81.07042	9.1
83.06094	2.6
83.08615	3.0
85.02892	7.0
86.06070	3.0
86.09698	43.1
91.05466	8.6
93.07041	3.7
95.05000	1.8
95.06123	2.9
95.08583	10.4
97.02890	3.5
103.05467	3.3
105.07010	29.1
107.08590	14.6
109.10146	3.1
110.07153	26.8
114.05537	3.6
117.07011	5.7
119.08569	87.5
121.10136	6.2
121.84109	1.8
126.72256	1.8
127.03922	5.2
131.08510	2.6
132.42107	2.2
133.06485	6.9
133.10112	22.5
134.06754	2.1
143.11745	2.6
145.04980	4.5
145.10083	1.9
147.04384	3.6
147.11684	2.8
156.07675	28.5
161.05939	9.0
162.06287	4.0
171.07658	2.1
173.13206	2.2
175.14798	100.0
178.04970	4.5
179.10692	2.2
190.30840	1.7
191.07062	5.6
192.07407	3.9
193.08672	3.4
194.08920	2.3
206.04468	3.6
206.90303	1.7
215.09137	2.5
233.10300	3.3
251.15158	2.0
256.16556	3.6
269.16071	7.7
284.16064	10.7
526.69794	2.1
552.31726	11.3
578.35492	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
54.77943	0.3
54.83058	0.3
55.01850	0.4
55.05510	2.4
57.03417	0.4
57.07054	0.7
59.15128	0.3
59.35612	0.3
59.67268	0.3
67.05471	1.3
69.03414	0.8
69.06692	0.5
69.07056	6.1
70.06597	0.3
71.04961	0.3
71.59122	0.4
71.59457	0.3
74.09672	0.3
79.05455	0.6
81.03372	0.5
81.07040	2.0
83.08607	1.6
85.02897	2.0
86.09676	0.3
91.05470	2.8
93.07016	1.2
95.08598	3.2
97.02863	0.9
105.07018	7.3
107.08589	2.6
109.10135	2.8
117.06997	0.6
119.08564	28.9
120.09199	0.3
121.10129	1.8
123.11640	0.5
131.08543	0.9
133.10112	24.4
135.11674	1.6
136.07410	0.3
137.09610	1.2
145.04953	0.5
145.10075	1.5
145.64079	0.3
147.11667	3.9
160.12514	0.9
167.10693	0.5
173.13266	1.1
175.14798	100.0
176.15170	1.1
177.16313	0.4
187.14771	0.3
193.15857	7.7
527.92853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.05503	1.1
56.05019	1.3
57.02256	0.4
57.03429	0.6
58.06596	1.4
60.08157	14.5
67.05480	1.9
69.07053	0.9
70.62510	0.8
70.62848	1.1
71.07367	5.8
79.05477	1.4
81.03422	0.6
81.07040	2.1
83.08611	0.6
86.09695	46.0
91.05486	0.8
93.07027	2.0
95.04948	0.5
95.08592	1.4
97.02901	0.6
98.98463	3.5
104.10730	86.8
105.07021	1.2
105.11063	0.8
107.04968	0.4
107.08568	1.0
109.10121	0.6
119.08502	0.5
121.10138	0.9
124.99989	25.3
143.00940	0.6
145.10092	0.5
150.99474	0.5
156.70396	0.4
159.87456	0.5
163.01616	0.5
163.45486	0.4
184.07323	100.0
185.07700	0.6
258.11130	0.7
434.23080	1.4
438.22192	0.7
452.23950	8.5
513.51776	0.4
516.30774	2.4
534.31848	7.6
552.32941	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.05503	1.1
56.05019	1.3
57.02256	0.4
57.03429	0.6
58.06596	1.4
60.08157	14.5
67.05480	1.9
69.07053	0.9
70.62510	0.8
70.62848	1.1
71.07367	5.8
79.05477	1.4
81.03422	0.6
81.07040	2.1
83.08611	0.6
86.09695	46.0
91.05486	0.8
93.07027	2.0
95.04948	0.5
95.08592	1.4
97.02901	0.6
98.98463	3.5
104.10730	86.8
105.07021	1.2
105.11063	0.8
107.04968	0.4
107.08568	1.0
109.10121	0.6
119.08502	0.5
121.10138	0.9
124.99989	25.3
143.00940	0.6
145.10092	0.5
150.99474	0.5
156.70396	0.4
159.87456	0.5
163.01616	0.5
163.45486	0.4
184.07323	100.0
185.07700	0.6
258.11130	0.7
434.23080	1.4
438.22192	0.7
452.23950	8.5
513.51776	0.4
516.30774	2.4
534.31848	7.6
552.32941	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33893	0.2
55.01854	0.2
55.05500	0.7
56.05009	0.5
58.06586	0.5
60.08155	7.6
61.49626	0.2
64.89314	0.2
67.05477	0.8
69.03419	0.3
69.89265	0.9
69.89698	0.7
71.07361	2.7
75.79601	0.3
79.05474	0.6
81.03393	0.3
81.07027	0.9
83.04933	0.4
83.08615	0.3
85.02911	0.4
86.09689	30.6
91.05447	0.7
93.07029	0.8
95.04949	0.3
95.08591	0.7
98.98460	2.5
103.05528	0.2
104.10721	10.2
105.06976	0.4
107.08567	0.4
109.02851	0.4
109.10118	0.4
119.08566	0.4
120.08103	0.6
124.99979	20.3
127.44919	0.2
131.08562	0.4
132.10141	0.3
133.10150	0.3
135.11688	0.3
143.00960	0.4
147.04320	0.3
149.02219	0.2
166.08589	0.7
184.07310	100.0
185.07663	0.7
237.76262	0.2
258.10858	0.4
265.09543	0.4
289.09540	0.4
339.13321	1.1
355.12772	0.4
367.12866	0.9
452.24075	1.1
453.30069	0.4
464.64844	0.3
471.31296	0.3
520.20807	2.6
534.31891	2.0
552.23273	0.9
552.32776	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	553.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60247	1.4
69.03392	3.3
70.39794	6.8
85.02886	8.5
92.45575	1.6
97.02879	3.3
98.97598	2.5
99.00656	1.7
106.23293	1.7
108.68861	1.6
119.01852	2.5
127.03885	3.9
143.01846	2.3
158.99638	1.6
161.02908	2.1
168.92076	9.3
173.03009	3.4
174.82433	1.6
185.02779	2.2
186.93150	12.5
192.93027	1.8
200.04387	2.2
210.94040	100.0
215.38177	1.6
219.01620	2.4
228.94212	17.9
245.05025	4.7
246.95348	12.8
270.95221	22.5
271.00558	5.1
281.06961	5.7
281.57404	2.5
282.95331	3.0
286.83466	1.6
288.96274	4.4
300.96207	5.1
330.97339	5.7
362.09680	2.1
372.98322	5.0
381.07977	10.3
381.12125	2.5
419.07999	4.0
427.99295	1.8
553.04242	5.4
553.14569	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	553.2806
Annotation	Canthiumine
Peak:m/z	Relative Intensity
51.69254	1.0
57.07060	2.7
66.85389	0.8
67.05489	3.0
69.13155	0.9
71.08618	1.9
71.62627	1.9
74.34509	0.9
79.05505	1.1
81.03459	1.1
81.07028	2.6
83.08600	1.2
85.10191	1.5
88.02782	0.8
91.05447	1.8
93.07045	1.7
95.08595	2.2
107.08521	0.8
111.04455	1.2
119.08592	1.5
145.10129	1.5
163.11125	1.4
209.11665	1.2
209.30739	0.9
212.34714	1.0
223.13286	2.1
241.14340	2.3
363.16095	1.7
377.17505	2.8
378.18378	5.2
379.19379	1.3
391.19061	6.1
392.19998	7.8
393.20807	12.8
405.20731	4.6
406.21445	4.8
407.14774	1.1
407.16971	1.1
407.22290	12.0
421.18604	1.4
421.23718	7.9
422.17554	3.0
436.18811	2.1
437.19662	12.4
448.22397	1.5
451.21207	15.7
465.22891	3.8
477.26492	4.3
493.25772	1.5
503.24457	3.5
509.28979	3.6
521.38263	3.3
524.23932	1.8
535.27136	5.0
553.28033	100.0
553.41626	3.9
554.28094	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50259	0.5
55.05492	1.4
55.99876	0.5
57.03422	0.5
59.12534	0.4
65.72885	0.4
67.05492	2.3
69.03406	0.5
69.07041	0.5
71.04974	0.6
71.71032	0.6
79.05479	1.8
81.03408	1.1
81.07039	1.4
83.01086	1.1
83.05000	0.4
83.08613	0.7
89.26815	0.4
91.05470	2.3
93.07011	0.9
95.01121	0.5
95.04961	1.6
95.08585	0.8
103.05508	0.4
105.07004	1.7
107.04954	0.7
107.08588	0.7
109.06496	0.6
109.10129	0.7
117.06995	0.9
119.08546	1.3
128.06212	0.7
129.07002	1.0
131.08556	0.6
133.03487	0.8
133.10092	0.8
143.08545	1.0
145.10109	0.9
152.72067	0.5
155.08601	0.7
157.10173	0.6
159.08005	0.6
171.07993	1.0
181.10027	0.5
184.03394	0.9
185.04222	1.8
185.09627	0.7
196.71506	0.4
201.03709	1.5
203.05310	1.8
259.07889	1.9
268.53262	0.5
317.19608	1.3
331.10004	2.9
335.20731	0.5
345.11420	0.7
373.14612	0.7
391.24310	0.5
415.19553	0.9
441.21146	0.5
455.22519	0.7
483.22342	2.7
553.29803	100.0
554.30353	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	553.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22666	0.2
55.05501	0.6
55.12362	0.2
57.03428	0.2
57.07050	0.3
67.05493	1.9
69.07053	0.5
69.63140	1.6
69.63565	0.6
79.05483	0.9
81.03412	0.6
81.07048	0.8
83.08641	0.5
87.91341	0.3
89.06030	0.4
91.05491	0.7
93.07023	1.0
95.08597	0.6
96.01861	0.5
97.10162	0.4
98.21548	0.3
105.07008	0.5
107.08575	0.8
109.10116	0.6
117.07009	0.4
125.02126	0.3
129.06932	0.3
131.08578	0.4
133.10088	0.4
135.11684	0.3
140.86365	0.2
143.08630	0.4
145.10139	0.4
147.08014	0.3
157.04726	0.5
169.10158	0.5
171.06320	0.3
171.13811	0.6
184.03421	0.5
185.04175	3.0
201.03728	1.4
259.07867	0.5
275.07303	1.2
299.18707	0.4
301.09012	0.7
317.19781	0.6
331.09961	4.4
335.20786	0.7
345.11664	0.6
359.13010	0.5
373.14792	0.9
391.24512	0.8
401.18069	0.7
415.19467	1.0
441.21045	0.3
455.22525	0.5
483.22009	2.3
519.76294	0.3
535.28845	0.5
553.29779	100.0
554.30127	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	553.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
53.07933	2.9
55.01866	7.8
55.05499	25.6
57.03406	6.2
57.07065	74.2
57.63130	2.5
59.04985	5.8
67.05492	53.2
69.07053	23.6
69.82085	6.6
69.82486	16.7
71.01330	5.1
71.04974	8.1
71.08617	48.3
78.53220	2.7
78.78513	3.0
79.05474	38.4
81.03403	28.2
81.07044	55.8
81.07510	2.0
83.01318	3.1
83.04981	14.6
83.08608	29.2
85.02883	6.6
85.06515	6.3
85.10155	21.5
85.47621	2.9
89.06015	7.2
89.41891	2.9
91.05455	29.8
93.07021	44.8
95.04945	11.9
95.08594	62.0
97.02878	9.2
97.06519	9.0
97.10152	13.7
99.04504	4.0
104.00793	2.7
105.07021	13.9
107.04930	15.8
107.08564	21.3
109.06500	9.6
109.10117	23.4
110.04881	3.2
111.04424	41.3
111.08043	5.1
117.06995	17.4
119.08546	14.1
121.06512	7.5
121.10127	18.6
123.08070	6.9
123.11720	7.7
124.13581	2.6
125.05994	9.2
128.06161	4.2
129.06998	5.1
129.80890	3.0
131.08582	11.3
133.10130	3.2
135.08035	3.0
135.11691	18.0
137.13206	4.0
143.08517	4.0
145.06508	3.3
145.10078	26.1
147.08130	3.8
149.09572	6.0
153.12727	10.5
155.08513	4.3
163.11151	41.9
173.09598	9.5
181.12230	10.7
191.10645	14.6
209.11655	29.1
223.13257	48.8
227.12721	14.4
239.23715	7.7
241.14322	42.5
297.16931	5.2
313.27203	15.7
429.97864	3.4
521.38220	50.9
553.40955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.7
57.07622	0.6
58.06591	1.1
60.04510	1.3
63.42245	0.7
67.05467	0.8
69.03413	1.0
69.07085	0.8
70.06591	1.1
70.36024	1.0
70.36430	2.2
71.04971	0.9
72.76284	0.8
77.03905	0.9
79.05480	0.7
81.03391	1.6
81.07037	0.9
85.02901	4.2
91.05453	0.8
91.20668	0.8
93.07030	0.9
95.08604	0.8
97.02872	1.4
103.05453	29.3
106.07364	0.8
107.04944	0.9
109.02837	0.8
122.03632	0.7
127.03925	0.8
131.04909	100.0
132.05200	1.4
133.02736	0.8
137.05992	3.4
145.04942	0.8
145.06435	1.0
147.04413	1.1
153.05397	4.5
163.07516	52.5
191.07004	1.8
199.29442	0.8
203.06999	3.7
212.16487	0.8
220.10298	0.7
224.91833	0.8
230.17447	1.8
233.08148	0.9
392.22781	1.3
554.27490	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.9
57.03421	0.6
69.03417	0.9
70.06548	0.9
71.05029	0.9
71.05415	1.8
78.43768	0.5
79.05470	0.9
81.03384	1.1
85.02896	4.0
93.07001	0.9
95.04947	1.1
95.08635	0.7
97.02880	1.9
103.05448	39.0
106.89985	0.7
109.02871	0.8
111.04402	1.3
121.10128	0.6
125.05960	1.9
127.03859	0.7
131.04906	100.0
132.05226	1.1
135.04338	0.6
136.07509	0.7
136.41043	0.7
137.05930	5.0
145.06520	0.8
149.05902	0.6
150.12930	0.6
151.03905	0.6
153.05415	5.3
163.07518	50.6
177.09123	1.4
182.05363	0.7
191.07011	2.2
203.06970	5.4
205.08493	1.0
221.08119	0.9
228.45476	0.6
233.08040	1.6
265.57642	0.5
281.06894	0.6
309.08914	0.6
461.66217	0.6
555.16803	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.8
53.00340	0.8
53.03931	2.0
55.01850	1.2
55.05502	3.6
55.36656	0.8
57.03421	3.3
61.02921	2.3
67.05496	2.1
69.03419	9.3
69.07063	5.8
70.85528	2.8
71.04968	2.9
73.02924	1.4
75.04478	1.0
79.05482	3.2
81.03404	3.7
81.07043	10.8
82.16331	1.0
83.01318	0.9
83.08617	5.3
85.02898	18.1
85.06551	1.2
87.04460	1.0
91.03972	1.1
91.05464	2.6
93.07024	8.5
95.08588	20.2
97.02876	4.7
97.10168	3.9
99.04446	2.6
99.08090	12.4
99.61420	0.9
105.07020	3.0
107.08578	20.7
109.02890	2.5
109.10149	5.1
111.08071	3.7
121.10127	42.1
123.11681	1.3
125.09640	2.7
127.03860	5.3
130.72087	0.9
135.11708	7.5
137.05864	1.1
137.13258	4.4
145.04951	9.2
149.13275	2.2
163.06023	4.5
177.16359	100.0
178.16759	1.4
188.08200	7.4
195.17407	20.3
213.18472	46.9
216.07642	1.2
225.14862	2.1
230.09157	1.1
232.07188	3.2
247.80385	0.9
259.08206	30.1
325.11261	1.1
375.13089	2.0
393.13989	59.6
464.04221	0.8
558.16833	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	2.5
53.03941	8.5
55.01862	13.6
55.05504	36.2
57.03415	4.7
57.24603	1.2
62.29543	1.1
65.03931	5.4
67.05495	73.8
69.03417	2.6
69.07058	22.4
70.15124	1.1
70.41598	4.7
71.04971	3.8
73.06516	1.3
77.03916	1.2
79.05482	100.0
80.05836	1.4
81.03405	10.8
81.07043	62.8
83.04966	14.4
83.08605	12.3
85.06521	3.9
88.15484	1.0
91.05466	82.4
93.07031	65.6
95.04958	24.7
95.08002	2.2
95.08596	34.6
97.06514	13.2
97.10155	10.9
103.05434	2.0
105.04520	2.7
105.07014	65.1
107.04932	18.9
107.08576	58.1
109.06503	8.0
109.10138	17.9
111.08065	4.5
115.05420	2.8
117.07001	20.4
117.70429	1.1
119.08563	35.8
120.05659	1.1
121.06505	3.5
121.10133	13.7
123.08073	5.3
123.11687	3.5
125.09617	7.6
128.06195	4.7
129.06984	19.1
131.08548	22.2
133.06447	1.7
133.10107	26.5
135.08017	5.6
135.11662	7.5
137.09572	1.8
141.06967	4.7
142.07767	2.1
143.08556	17.3
145.06375	1.8
145.10101	38.0
147.08060	2.3
147.11661	35.0
149.09607	14.9
149.13234	2.8
153.07047	1.5
153.09032	1.4
155.08591	5.6
157.10144	9.6
159.08032	1.4
159.11668	12.0
161.09618	4.2
161.13246	9.8
163.11136	5.4
167.08557	2.8
169.10085	8.9
169.12204	1.3
171.10187	2.5
171.11652	24.6
173.11734	4.3
173.13255	6.6
175.11195	1.2
177.12759	2.7
179.14273	4.3
181.10077	3.0
183.11658	7.3
185.13205	3.9
185.58821	1.2
187.11206	2.3
189.11151	4.7
189.12746	8.1
195.11670	3.2
197.13255	4.0
199.14798	1.9
201.12772	1.5
207.11871	1.6
207.13770	15.7
209.13239	2.6
211.14842	2.1
215.17952	1.4
225.14771	1.9
227.12770	2.9
229.19461	3.9
239.18015	5.2
247.16803	1.3
247.20511	1.3
253.15482	1.2
254.99084	1.3
257.18958	18.7
275.20032	67.7
281.17319	6.9
293.21133	3.4
295.20453	1.7
308.17371	1.1
311.23541	1.7
313.21609	3.1
331.22614	5.2
343.24286	1.3
349.23987	2.5
445.31128	2.6
463.32166	4.2
477.72119	1.2
481.32980	2.2
537.35724	11.2
555.36707	74.5
556.36920	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	555.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.4
53.03941	11.4
54.09166	1.7
55.01864	13.9
55.05503	39.3
57.03442	6.6
57.07063	3.4
65.03917	7.4
67.05494	81.4
69.03401	4.2
69.06698	1.5
69.07059	28.3
70.42747	6.1
71.04967	5.5
73.06535	2.5
77.03896	2.4
79.05481	98.4
81.03402	12.3
81.07043	100.0
83.04968	17.2
83.08608	17.3
85.06516	4.1
90.01973	1.3
91.05466	85.0
93.07029	68.4
95.01290	1.8
95.04961	29.3
95.08594	42.2
97.06516	20.9
97.10170	9.7
103.05455	2.8
105.04488	2.6
105.07012	64.8
107.04937	25.4
107.08580	47.5
109.06499	23.5
109.10154	15.5
111.08057	3.1
115.05415	4.7
116.06316	1.7
117.07002	23.7
119.08564	52.9
119.09411	3.2
121.06512	8.2
121.10129	16.1
123.08015	9.9
123.11674	3.7
125.09586	3.0
128.06200	6.0
129.06987	21.5
130.07780	3.0
131.07635	2.5
131.08556	27.1
133.06458	2.7
133.10106	28.7
135.08041	8.7
135.11705	9.9
137.09579	6.6
141.06958	6.5
142.07758	3.7
143.08527	16.9
145.06409	2.1
145.08963	2.6
145.10098	40.7
147.08028	3.9
147.11661	37.0
149.09599	15.3
149.13237	4.5
151.11122	2.6
153.09041	1.3
155.08566	8.1
156.09286	1.6
157.10098	11.8
159.08012	3.1
159.11632	15.7
161.09552	5.3
161.13229	14.3
163.11180	12.0
163.14836	2.0
165.06979	2.0
167.08447	2.9
169.10129	9.7
171.11678	25.2
173.09557	2.7
173.13211	8.5
175.11133	2.6
177.12767	3.8
179.08455	1.8
179.14316	8.6
181.10085	3.0
183.11664	6.7
185.13214	5.1
187.11154	2.1
187.14810	2.6
189.11226	2.6
189.12694	8.4
193.12213	2.2
195.11636	4.8
197.13182	4.1
199.11250	2.6
199.14761	2.0
201.12776	1.6
201.16296	1.4
205.12173	1.9
206.61760	1.5
207.11807	2.6
207.13704	16.5
209.13274	3.0
211.14824	2.8
213.16367	1.8
219.13718	1.9
219.17349	1.6
225.12704	2.0
225.14732	3.1
229.19481	7.2
239.17908	5.0
247.20520	4.3
257.18951	18.5
271.16904	3.2
273.18463	2.4
275.20029	75.6
276.20496	1.8
281.17459	7.5
282.26013	3.3
289.17920	2.0
293.21118	7.0
295.20337	1.5
311.19891	1.7
313.21579	2.5
331.22650	4.0
349.23694	4.9
445.30634	2.3
452.33224	1.4
463.31921	4.3
481.33359	3.3
531.94977	1.9
537.36029	11.2
553.13391	1.5
555.36993	67.7
555.51068	2.4
556.37091	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.1
51.14789	1.2
52.47917	1.1
53.03946	7.3
55.01865	12.6
55.05505	34.9
57.03429	4.4
65.03933	5.8
67.05497	73.8
69.03424	3.8
69.07059	27.3
69.57219	10.8
71.04983	6.4
73.06553	1.4
79.05486	99.0
81.03407	9.3
81.07048	100.0
81.46410	1.1
83.04969	15.4
83.08600	13.3
83.67871	1.2
84.68733	1.1
85.02876	1.2
85.06535	5.4
89.60101	1.1
91.05470	80.4
92.96793	1.0
93.07032	69.4
95.04958	25.8
95.08595	39.3
97.06522	20.3
97.10160	7.9
99.08076	2.0
103.05498	2.9
105.04516	2.8
105.07014	62.2
107.04940	21.4
107.08582	40.6
109.06499	26.0
109.10133	16.7
111.08082	4.2
115.05459	4.3
116.28598	1.1
117.07000	25.0
117.07790	1.7
119.08572	44.7
121.06521	5.0
121.10123	16.0
123.04451	1.5
123.08047	7.5
123.11700	4.2
125.09634	5.1
128.06229	5.0
129.06985	21.4
130.07846	2.7
131.08557	26.6
133.06485	2.1
133.10120	30.2
135.08002	7.1
135.11665	10.6
137.09633	4.8
139.05444	1.4
141.06981	4.0
142.07790	2.8
143.08551	17.2
143.09622	1.6
145.06544	2.4
145.10110	35.3
147.08041	3.9
147.11668	37.5
149.09590	13.7
149.10649	1.3
149.13293	8.3
151.11195	3.0
155.08571	5.9
156.09380	2.1
157.06439	1.2
157.10126	8.1
159.08093	1.3
159.11673	16.1
161.09645	4.3
161.13242	14.2
163.11165	12.5
163.14786	2.9
165.12727	2.7
167.08524	1.5
169.10100	9.0
171.11662	24.7
171.13011	1.4
173.09663	1.4
173.11917	1.5
173.13188	6.7
175.11160	1.6
175.14824	2.0
177.12775	2.2
179.14316	8.7
181.10107	3.0
181.12314	1.2
183.11601	6.6
185.13229	4.5
187.11211	2.2
187.14807	2.8
189.11258	2.9
189.12778	8.0
193.10097	1.7
193.12245	2.7
195.11629	2.2
197.13293	2.6
199.11182	1.9
199.14806	1.7
201.12790	2.0
201.67847	1.1
207.13760	14.8
209.13245	1.6
211.14775	1.9
219.17502	1.5
223.14861	1.5
223.73598	1.2
225.14775	2.3
229.19421	6.2
239.18031	6.3
247.20587	5.0
257.18967	25.7
275.20032	91.6
276.20541	2.3
281.17410	8.1
293.21085	8.4
309.22198	1.4
313.21786	3.2
331.22656	4.8
349.23694	5.0
429.30313	2.5
445.31046	3.7
463.32083	3.8
481.33267	3.3
520.93445	1.2
537.35907	11.2
555.36823	84.3
556.37073	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	555.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.8
53.03938	10.4
55.01862	30.8
55.05234	2.1
55.05501	29.9
56.66672	1.2
57.03422	2.8
57.07074	1.3
59.04996	1.8
65.03922	4.9
67.05492	75.9
69.03428	1.8
69.07058	37.9
69.98423	1.1
69.98753	7.7
71.04972	4.2
73.06538	1.9
77.03917	2.1
79.05481	84.3
81.03410	15.1
81.07043	74.7
81.07534	2.4
83.04967	13.1
83.08603	10.8
85.06531	3.0
86.98709	1.2
88.05700	1.3
91.05464	86.8
93.07027	66.5
95.01320	11.3
95.04337	1.3
95.04952	33.8
95.08585	45.7
97.06512	57.3
97.10165	5.2
99.08048	1.9
103.05467	4.0
105.04519	2.5
105.07014	99.2
107.04936	28.7
107.08568	29.4
109.06497	9.6
109.10139	10.6
111.04466	1.6
111.08071	4.9
113.09644	1.9
115.05450	2.6
117.06998	24.8
119.08561	58.6
120.08808	1.4
121.06480	6.1
121.10127	12.0
123.04428	3.4
123.08054	7.0
123.11671	2.8
125.09635	3.2
127.07545	2.1
128.06230	4.3
129.06981	18.1
130.07771	1.9
131.08546	26.9
131.09456	2.2
133.06456	2.0
133.10098	43.9
135.08029	4.1
135.11639	7.8
137.09592	3.0
139.07555	3.7
141.06947	3.9
142.07761	1.7
143.08510	11.4
145.06480	3.6
145.10095	24.2
147.08026	2.6
147.11661	35.1
149.09555	9.8
149.13269	3.1
151.11159	3.1
155.08617	1.8
157.10107	7.0
159.08047	1.5
159.11667	16.7
161.09641	4.6
161.13226	16.2
163.11140	6.2
165.09093	3.9
165.12793	1.5
169.10101	4.5
171.11659	21.8
173.13269	5.9
175.14806	2.0
177.12761	5.6
179.14281	24.5
179.15729	2.5
181.10162	1.2
183.11681	3.3
185.13228	2.4
187.11206	5.0
187.14961	1.5
189.12770	5.3
195.13818	1.7
197.13245	2.1
199.14938	1.3
205.12141	2.6
207.13771	9.3
209.13245	1.4
219.17461	1.2
225.14827	1.9
229.15996	1.5
229.19568	3.7
233.15372	1.3
239.17926	4.0
241.14362	2.1
247.20561	1.6
247.78850	1.2
257.19000	11.5
259.20609	3.2
263.16452	1.7
275.20020	100.0
276.20450	2.6
279.15805	8.4
281.17636	1.6
289.16190	1.3
293.21027	8.1
349.23727	2.9
445.30624	1.8
460.43103	1.2
463.32346	2.1
537.36066	3.3
555.36768	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.4
52.68157	1.6
53.03934	9.9
54.13053	1.2
55.01862	15.6
55.05502	30.5
57.03422	6.6
57.07056	2.0
58.94740	1.2
65.03920	6.8
67.05493	74.7
69.03418	2.6
69.07055	25.9
69.57744	8.5
69.58165	2.8
71.04984	4.7
73.06537	2.5
73.71016	1.4
76.53902	1.2
77.03942	1.5
79.05479	100.0
81.03403	10.7
81.03791	1.4
81.07040	76.0
83.04961	14.4
83.08601	12.4
85.06524	3.9
91.05463	83.1
93.07029	71.6
95.01314	2.5
95.04954	25.8
95.08587	38.4
97.06509	18.3
97.07084	1.4
97.10162	8.0
99.08060	1.9
103.05467	4.7
105.04510	2.9
105.07011	73.8
107.04943	19.9
107.08572	42.1
109.06485	12.6
109.10143	14.8
111.08080	4.6
115.05437	3.3
116.06332	1.4
117.07000	30.2
119.08555	45.5
121.06480	6.3
121.10126	15.5
123.08086	6.0
123.11707	3.0
125.09623	4.2
127.07545	2.5
128.06216	6.0
129.06985	20.6
130.07784	4.0
131.08548	26.7
131.09451	2.1
133.06512	4.6
133.10103	29.6
135.08070	4.8
135.11642	8.7
137.09612	4.8
141.07001	5.9
142.07730	1.9
143.08528	17.0
143.09505	1.8
144.09346	1.3
145.06436	2.0
145.10095	33.3
147.08047	3.3
147.11649	37.3
149.09608	15.5
149.13240	3.1
155.08585	5.4
156.09349	2.6
157.10068	8.0
159.08107	3.5
159.11662	21.5
161.09660	5.6
161.13248	14.0
163.11151	11.2
163.14769	1.9
167.08539	2.4
168.09364	2.2
169.10080	8.6
171.08195	1.5
171.11653	26.2
173.11821	2.5
173.13182	11.0
175.11156	1.5
175.14923	1.7
177.12773	3.5
178.07619	1.5
179.08505	1.5
179.14307	6.8
181.10114	5.0
182.92828	1.5
183.11697	9.0
185.09641	2.1
185.13268	5.4
187.11197	2.9
187.14839	1.9
189.11263	3.0
189.12781	9.1
195.11655	3.2
197.13318	4.7
199.14839	2.5
201.12730	2.0
207.11867	1.5
207.13759	17.4
209.13376	1.9
211.14810	2.0
215.17992	1.4
221.13385	2.1
223.14944	2.1
225.85562	1.2
229.19495	3.2
233.05949	1.4
239.18045	6.9
242.76544	1.3
247.20633	3.0
247.64441	1.3
257.18961	25.2
259.20782	1.9
275.20023	64.8
276.58347	1.6
279.15942	1.4
281.17447	8.1
293.21063	4.0
295.20471	1.6
307.90836	1.8
313.21603	2.2
331.22580	5.1
349.23987	2.8
374.40308	1.4
445.31177	2.8
463.32080	4.3
499.34088	1.6
537.35980	9.9
555.36810	70.7
556.37653	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	555.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72558	1.5
51.02373	3.9
53.03941	12.4
53.62376	1.8
55.01860	20.4
55.05502	34.5
57.03423	6.4
57.07055	3.7
65.03923	5.4
66.64909	1.6
67.05139	4.3
67.05496	82.7
69.03420	3.0
69.07057	34.6
69.62994	7.8
69.63425	6.7
71.04974	7.5
77.03930	1.7
79.05482	94.9
81.03416	13.8
81.07044	86.7
83.04968	16.4
83.08607	14.1
85.06516	6.1
91.05465	83.6
93.07026	83.9
95.04960	31.2
95.08588	47.3
97.06511	23.7
97.10148	8.1
99.08087	2.3
103.05476	2.3
105.04514	2.2
105.07012	83.4
105.87163	1.7
107.04932	14.7
107.08581	37.7
109.06496	15.9
109.10144	16.5
111.04405	1.9
111.08082	6.6
113.09641	2.8
115.05431	6.8
117.06998	35.3
117.07792	2.6
119.06072	1.8
119.08562	52.3
119.09414	3.3
121.06518	6.3
121.10118	19.0
123.08022	12.5
123.11670	3.7
125.09624	5.3
128.06186	8.8
129.06979	24.4
130.07813	2.2
131.08557	41.7
133.06506	5.3
133.10107	37.5
135.08055	3.1
135.11716	10.1
137.09598	4.9
141.06961	5.7
142.07735	2.9
143.08546	20.7
145.06474	4.3
145.10103	35.1
147.08041	3.9
147.11671	36.5
149.09576	17.5
149.13197	5.5
151.11148	3.2
155.08539	9.7
156.09364	2.7
157.10103	13.4
159.07982	3.0
159.11638	25.0
160.05272	2.2
161.09621	5.3
161.13216	15.4
163.11160	15.4
165.09114	2.2
167.08490	3.5
169.10147	10.6
171.11661	28.9
171.79741	1.8
173.09612	4.3
173.13220	13.1
175.11189	2.1
177.12759	4.7
179.14288	9.2
181.10106	5.5
183.11685	9.1
185.13277	7.6
187.11172	4.2
187.14848	3.3
189.11252	3.2
189.12740	7.6
193.10124	2.5
195.11714	4.4
197.13234	5.1
199.14766	3.0
201.12743	3.0
203.40366	1.9
205.12140	2.5
207.11897	3.6
207.13797	12.9
209.13263	4.9
211.14853	2.9
213.16357	3.0
215.14278	2.8
219.17438	7.5
225.14676	2.1
229.19502	5.5
239.17867	11.7
247.20512	3.6
257.18970	38.0
257.21405	3.1
259.20529	2.7
275.20026	69.3
276.20337	2.1
279.15805	2.6
281.17456	8.8
293.21167	5.2
331.22769	3.5
349.23941	2.4
361.46863	2.0
443.27628	2.2
445.30911	6.6
463.31998	5.8
481.33206	4.2
504.62973	1.9
519.35443	2.3
537.35577	16.4
555.36774	100.0
556.37213	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	555.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.5
54.72342	1.8
55.01637	2.4
55.01865	28.8
55.05244	1.7
55.05502	28.7
55.46393	1.7
57.03423	2.9
57.07049	5.9
62.10002	1.5
65.03917	5.1
67.05495	72.0
69.07060	43.4
71.04981	2.6
71.08605	2.3
72.71241	1.5
77.03912	1.9
79.05482	68.6
81.02589	1.6
81.03400	16.0
81.07044	64.7
83.04975	15.5
83.08601	12.3
85.02872	2.0
85.06499	2.6
87.83249	1.5
89.50860	1.8
91.05466	79.9
93.07030	60.7
95.01298	11.0
95.04955	25.5
95.08595	49.8
97.06512	52.5
97.10123	5.8
99.08079	2.3
103.05450	2.8
105.04525	2.7
105.07011	81.8
107.04942	27.0
107.08577	25.9
109.06491	7.1
109.10120	14.5
111.08082	2.8
113.09686	1.8
115.05386	2.5
117.07002	20.3
119.08558	47.6
121.06484	4.6
121.10140	11.2
123.04401	2.0
123.08073	9.3
125.09585	3.1
128.06143	2.6
129.06982	15.6
131.08545	27.3
133.06404	2.0
133.10109	45.4
135.08003	4.9
135.11684	10.1
137.09602	5.1
139.07571	1.8
141.06946	3.1
143.08551	11.2
145.06421	2.4
145.10109	23.2
147.07959	3.1
147.11676	27.5
149.09541	13.1
149.13219	5.6
155.08540	4.3
157.10123	6.6
159.11670	15.8
161.09613	3.3
161.13231	11.4
163.11136	7.3
165.09114	3.7
169.10098	4.9
171.11678	19.5
173.13216	5.4
175.11197	2.0
175.14832	2.9
177.12720	4.0
179.14272	20.2
183.11707	2.4
185.13231	3.0
187.11134	4.7
189.12672	7.2
195.11670	2.0
197.13350	2.8
205.12230	2.1
207.13768	8.4
213.16400	2.3
219.17400	2.6
223.13127	1.8
229.19476	2.3
239.17964	4.4
241.14343	3.4
247.20543	6.2
251.53731	2.0
257.18976	12.0
259.20480	5.4
275.20041	100.0
279.15945	11.0
283.15198	2.2
293.21075	11.5
313.27155	2.2
465.35437	3.8
482.89355	2.0
537.35413	3.6
555.36584	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.6
55.01864	4.3
55.05480	2.5
57.03407	2.2
61.02899	2.6
65.03931	3.7
67.05505	2.7
69.03426	9.7
69.52902	10.9
69.53325	7.8
70.06580	12.1
71.04998	4.7
74.51319	1.9
79.05494	9.6
80.24303	1.8
81.03403	8.9
81.07034	4.0
83.04951	2.5
83.48678	2.4
84.04504	5.0
84.08115	2.9
85.02898	23.6
86.09688	5.3
91.05465	26.9
93.07016	4.9
94.04185	3.3
95.04949	4.9
95.08622	5.2
96.04440	2.8
97.02883	6.5
99.04453	3.0
103.05451	25.6
105.03368	7.1
105.07029	16.2
107.04927	6.0
107.08575	4.9
109.02872	3.7
109.06482	6.2
115.05441	4.9
117.07030	3.2
119.04929	31.1
119.05723	3.0
119.08571	6.7
120.08159	2.6
121.06457	4.1
121.10117	4.6
122.03672	3.6
127.03922	6.5
129.06984	6.7
129.10204	2.2
131.04922	46.2
133.06480	11.7
133.10139	2.8
135.08002	2.7
137.05957	100.0
145.04941	3.9
145.06374	2.7
145.10127	2.0
147.04378	14.6
147.08055	3.2
149.05983	6.0
151.07518	19.9
157.06465	4.9
159.07965	2.5
160.05182	3.1
161.05971	23.0
162.06715	5.5
163.03886	6.2
163.07530	55.6
172.05183	2.7
175.07516	26.7
175.14772	2.6
177.05510	5.4
177.09119	4.3
177.16339	4.8
178.16750	2.7
179.07008	23.4
187.07559	13.9
188.08228	4.3
189.08987	7.2
191.06956	2.7
191.14236	2.3
193.08588	7.9
197.11632	3.1
199.07536	2.7
201.09227	2.0
203.05365	2.9
205.08611	4.8
214.18826	2.7
217.08533	10.8
218.07204	2.2
219.08099	4.5
219.10132	3.7
235.09566	8.4
247.07567	3.0
251.10727	3.9
259.08163	8.0
260.08661	5.9
263.10654	2.9
279.10199	6.4
291.10031	5.4
309.11249	15.0
311.12650	14.2
315.34134	2.2
323.12717	7.5
329.13809	4.9
341.13708	8.2
377.19373	2.4
393.13962	6.3
394.14288	20.7
460.15253	1.9
556.18536	2.6
557.25690	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	556.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01858	3.8
56.05017	1.9
67.05492	1.9
69.03428	3.2
70.06579	6.6
71.04983	2.6
71.61729	2.3
79.05475	6.3
81.03411	2.8
84.08137	3.7
85.02883	10.1
86.09693	3.2
91.05466	38.5
93.07046	4.8
95.04939	4.5
95.08576	1.8
97.02869	4.6
103.05458	47.6
105.03386	9.0
105.07014	27.0
107.04942	5.0
107.08614	1.9
109.02884	2.3
109.06528	8.0
115.05454	7.2
116.98631	2.1
117.07004	2.9
118.04156	1.8
119.04923	52.7
119.08600	1.8
121.06480	3.9
122.03654	4.0
123.08058	4.0
123.11738	1.5
129.07002	3.6
129.10233	3.0
130.04179	1.8
131.04910	100.0
133.02838	7.5
133.06473	24.7
135.04375	2.1
135.08054	2.4
137.05959	98.8
145.06519	1.8
147.04405	20.4
147.07983	3.2
149.05963	5.8
151.07530	23.5
153.05482	1.7
157.06467	4.1
159.08116	1.7
160.05183	3.2
161.05954	85.6
162.06714	8.2
163.03899	2.0
163.07521	54.9
165.05495	7.4
175.07541	24.6
177.09108	2.2
179.07013	29.7
187.07515	19.6
189.09128	6.4
191.08492	1.9
193.08612	5.5
205.08572	13.7
217.08609	6.3
219.08067	4.6
231.08115	2.5
235.09572	3.9
247.07607	2.5
251.10583	3.4
259.07443	2.1
263.10596	2.0
279.10062	5.5
291.10065	8.9
296.10400	3.5
309.11200	9.7
311.12738	18.2
323.12671	7.6
329.13773	4.7
341.13708	11.8
386.95389	1.7
426.90692	1.9
556.19135	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	556.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.3
69.03408	4.6
70.06579	7.5
70.08926	13.8
71.04993	5.4
79.05492	5.2
80.63849	2.1
81.03397	3.3
85.02895	15.3
91.05473	33.1
93.07023	2.9
95.04929	4.8
97.02856	6.0
103.05453	43.3
105.03384	7.3
105.07040	15.7
107.04933	4.9
109.06477	5.5
115.05426	4.1
119.04939	42.2
120.08083	2.6
121.06494	4.9
122.03619	4.9
123.08024	2.6
127.03915	4.4
129.06987	4.0
131.04907	100.0
132.68190	2.4
133.02846	8.3
133.06491	17.2
137.05957	77.2
143.05951	3.6
147.04411	15.7
147.07986	2.6
149.05978	6.7
151.07527	21.0
157.06459	7.0
159.08057	3.6
161.05968	54.7
162.06702	3.8
163.07512	52.5
165.05447	4.4
175.07553	20.1
179.07033	18.0
187.07558	19.1
189.09105	8.5
193.08656	4.0
205.08560	8.0
207.47372	2.5
217.08537	4.8
219.08044	6.4
231.08109	2.6
235.09648	3.3
248.12776	2.9
251.10754	3.4
279.10110	5.8
291.10254	5.7
309.11194	7.1
311.12683	10.3
323.12558	11.4
329.13885	4.7
341.13757	13.1
410.18082	5.2
503.41568	2.6
556.21899	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54573	1.1
53.03940	2.2
54.18034	1.1
55.01870	1.9
55.05497	8.7
57.03422	4.0
60.53801	1.1
61.02922	2.6
67.05493	13.1
69.03426	5.1
69.07060	12.2
71.04983	4.1
71.15714	3.0
73.02890	1.5
77.34278	1.2
77.42020	1.1
79.05486	9.3
79.05905	1.6
81.03405	4.2
81.07043	36.5
83.04955	4.1
83.08595	7.0
85.02895	30.1
85.06538	3.8
85.07647	1.3
91.05475	12.2
93.07027	11.7
94.06518	2.0
95.04961	1.6
95.08598	52.1
96.08121	4.0
97.02877	9.8
97.06512	11.1
97.10142	5.5
99.04449	2.2
99.08063	6.8
103.03940	1.1
105.07018	15.8
107.08563	7.5
108.08133	2.7
109.02866	3.5
109.06519	1.9
109.10164	3.0
110.09683	6.6
111.08082	2.2
113.07410	1.1
113.09630	1.7
115.07552	1.3
117.65200	1.1
119.08561	23.5
120.08089	3.5
121.10132	10.3
123.08067	4.9
127.03905	5.5
133.10126	15.4
134.05920	1.1
135.04474	1.2
135.11674	12.6
136.07539	2.5
137.09561	1.7
137.13217	13.4
138.09122	7.1
141.09100	2.8
145.04929	8.3
147.04399	3.4
149.06000	1.4
149.13091	1.6
160.29199	1.2
161.13245	66.8
162.13609	1.9
163.03893	4.9
163.06012	2.3
166.08644	9.9
172.03932	3.5
179.14293	100.0
190.04903	1.8
197.15349	62.2
204.06573	3.5
206.04375	1.3
215.10883	1.3
215.16399	24.1
237.10164	2.0
256.87427	1.2
265.09778	4.1
281.09222	3.0
293.09146	2.3
295.10928	2.7
311.10101	2.0
321.08820	1.6
325.11874	2.0
327.09747	3.4
339.09671	3.4
359.12299	5.1
371.12225	1.4
464.18036	3.0
492.17493	6.0
506.19217	2.0
524.20142	2.9
557.16223	11.5
576.96234	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15277	1.6
59.92897	1.5
59.96280	1.5
61.02930	2.1
67.87836	1.4
68.98293	1.6
69.03432	6.6
69.60730	4.4
69.61140	11.3
73.02924	3.6
77.00915	2.2
81.03407	3.2
82.99886	1.7
85.02896	15.5
91.78002	1.5
97.02859	9.3
98.21516	3.1
98.97572	2.0
99.04456	2.3
101.00847	14.5
109.02878	2.2
113.00882	3.4
119.01904	46.3
119.02739	2.8
124.63398	1.9
124.64294	2.4
127.02438	6.2
127.03958	6.2
131.01875	20.7
133.03468	2.7
135.05046	3.0
137.02065	1.9
137.02911	10.6
138.21262	1.6
141.03992	1.7
142.03519	2.1
143.01888	24.7
145.03453	37.5
145.04921	2.5
147.01398	2.0
147.04980	3.8
149.03053	3.6
155.01875	20.9
157.03459	15.2
159.05006	11.1
161.02940	36.6
161.42929	1.6
163.04581	12.6
167.01981	7.6
169.03452	30.0
169.04791	2.4
171.01482	1.7
171.04973	10.2
173.02936	37.1
173.06633	2.2
175.04552	5.8
181.03540	7.1
183.05046	2.8
184.04578	2.7
185.02936	41.2
185.04462	2.6
185.06598	2.6
186.03235	1.8
187.04497	56.2
188.04851	1.9
189.00891	3.2
189.02527	10.4
189.06117	3.9
191.03990	3.9
192.05606	2.1
197.02956	12.6
197.06622	1.9
199.04416	11.9
201.00612	2.3
201.06094	2.8
203.03966	17.0
207.03569	2.7
209.03044	1.9
210.06184	3.6
211.04556	10.2
213.02429	10.8
213.06125	3.4
215.03911	8.5
217.05667	4.3
219.01828	2.6
221.04999	18.4
223.04608	4.3
225.02438	3.4
227.04117	6.6
229.05635	4.5
231.03523	21.2
231.07129	2.7
233.01427	2.8
237.02907	2.5
239.03964	2.7
239.06059	15.6
243.03600	3.2
245.05057	65.3
251.02466	2.1
253.05824	2.5
254.05933	1.7
255.03734	1.9
257.01535	5.6
257.05148	4.7
263.06143	23.2
264.07617	3.1
271.06577	9.9
275.02628	30.9
275.06256	43.1
276.06335	2.2
287.02576	14.5
287.05701	2.6
289.07861	6.3
291.05917	1.8
293.03677	11.5
293.07330	5.1
297.04651	1.8
305.03677	10.6
305.07440	14.0
307.08765	2.0
315.05838	5.4
319.08917	2.6
333.06851	3.4
335.04755	14.5
335.08463	5.2
359.04538	11.9
365.09052	8.4
377.05487	28.9
377.09488	3.4
383.10638	2.9
395.06619	41.7
448.50775	1.8
454.12601	1.8
521.09601	3.2
539.10596	7.8
557.14764	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.147
Annotation	Unknow
Peak:m/z	Relative Intensity
63.15094	0.4
68.05593	0.4
69.41209	4.5
69.41518	0.5
74.97583	0.5
88.69421	0.4
108.31457	0.4
119.01913	1.6
122.03008	0.4
138.09981	0.5
143.01877	1.1
145.03453	2.2
157.03447	0.8
159.05051	0.5
161.02968	1.2
169.03522	1.2
171.05066	0.6
173.03009	1.6
185.02921	2.1
187.04477	2.1
189.02417	0.6
197.02962	0.7
199.04579	0.6
231.03384	0.7
245.05093	3.0
275.02518	0.9
275.06119	0.8
280.17285	0.4
287.02557	0.5
293.03448	0.5
305.03510	0.5
305.07452	0.6
328.43661	0.4
333.96246	0.5
359.04654	0.6
377.05679	0.8
385.62714	0.5
395.06656	1.3
447.10632	0.5
557.14734	100.0
558.14972	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	557.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.6
53.04142	1.5
55.01859	24.3
55.05503	31.8
56.21249	1.3
57.03410	5.7
57.07056	2.8
59.04974	4.3
62.42519	1.4
62.47348	1.4
65.03903	4.0
67.05148	3.5
67.05492	63.8
69.03392	3.6
69.07058	46.6
71.01205	2.9
71.04964	5.4
77.03890	3.4
79.05481	57.8
80.05801	1.9
80.42732	1.3
81.02947	1.5
81.03406	20.1
81.07041	80.1
82.07381	1.4
83.01311	7.5
83.04965	19.1
83.08607	16.8
85.02860	2.3
85.06514	4.3
91.05464	78.7
93.07027	62.0
94.07349	1.5
95.01315	16.2
95.04947	21.2
95.08006	2.5
95.08592	41.8
97.02835	1.8
97.06516	24.2
97.10131	5.3
99.04423	2.8
99.08070	2.1
103.05444	3.2
105.07010	89.8
106.07343	2.1
107.04937	31.1
107.08574	30.1
109.06495	10.8
109.10133	11.8
111.04380	3.6
111.08041	5.3
113.09554	1.9
115.05391	3.9
115.43198	1.8
117.07001	26.6
119.07738	2.6
119.08560	50.2
121.06466	6.5
121.10110	16.3
123.04398	3.3
123.08064	10.5
123.11687	2.5
125.05994	1.9
125.09576	4.7
128.06181	2.8
129.06969	6.4
130.07767	4.2
131.07535	1.8
131.08533	30.3
131.30612	1.4
133.06482	1.8
133.10104	48.9
135.08072	6.9
135.11662	14.8
137.09563	5.0
139.07446	1.7
141.06935	2.2
142.07787	1.6
143.08507	6.2
145.06430	2.5
145.10088	34.0
147.08063	2.3
147.11676	23.3
149.09552	6.4
149.13208	5.4
151.11166	2.9
155.08479	3.5
157.10068	6.9
159.08006	1.8
159.11676	14.0
161.09544	2.5
161.13197	6.6
163.11142	19.1
165.09099	2.9
169.10106	4.9
171.11641	5.8
173.09537	2.2
173.13255	4.9
175.11028	1.8
175.14853	1.6
177.12688	5.3
179.14290	25.6
181.10114	1.7
181.12161	2.7
183.11598	6.1
187.11140	4.0
187.14732	2.0
189.12711	1.8
191.10706	1.7
193.12054	1.4
195.13715	1.7
196.39079	1.4
197.13213	4.0
205.12112	2.6
209.11688	3.9
211.14713	1.7
227.12706	2.8
229.19473	2.5
239.17923	3.1
247.20387	2.4
257.19000	8.2
275.20020	100.0
276.20401	3.4
283.15298	2.3
293.21085	7.1
349.23605	3.9
539.35565	2.3
557.34546	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37279	1.8
53.03939	11.7
55.01862	17.9
55.05504	57.9
57.03418	11.3
59.04977	3.5
65.03920	4.7
67.05493	77.8
69.03425	3.6
69.07053	35.7
69.84486	13.4
71.04970	6.7
79.05014	4.3
79.05479	75.9
81.03398	21.1
81.07044	82.1
83.01303	4.9
83.04980	16.1
83.08601	21.4
85.06515	7.0
91.05463	87.8
91.06041	4.7
93.07029	67.0
95.01308	5.9
95.04951	31.5
95.08590	46.9
97.02869	4.3
97.06495	19.7
97.10149	25.5
99.04455	2.6
105.07011	86.1
107.04933	27.7
107.08576	43.4
109.02844	4.4
109.05846	2.0
109.06480	11.7
109.10141	20.8
111.04417	4.2
111.08059	6.9
115.05442	7.9
116.69706	1.8
117.06991	33.9
117.37048	2.3
119.08563	53.1
121.06478	7.9
121.10118	15.4
123.04436	3.6
123.08028	8.5
123.11664	4.1
125.09616	17.2
128.06190	7.4
129.06973	20.2
130.07777	4.2
131.04836	2.4
131.08545	45.7
131.09465	3.9
133.06453	5.8
133.10100	46.0
135.08035	8.3
135.11685	16.4
137.09596	4.6
141.06958	7.5
142.07747	5.1
143.08545	22.5
145.06438	8.3
145.10106	46.0
146.27638	1.9
147.08008	6.0
147.11656	22.4
149.09613	10.4
149.13181	4.9
151.11137	3.6
153.06926	2.1
153.09045	3.0
153.12683	2.6
155.08569	14.2
156.09259	2.6
157.06508	2.6
157.10118	18.4
159.08066	4.5
159.11678	23.0
161.09628	7.3
161.13234	8.8
163.11150	22.3
165.06889	2.4
167.08563	3.8
169.10109	15.4
171.08008	7.2
171.11655	19.0
173.09622	6.8
173.11920	2.7
173.13182	11.2
175.11162	3.2
177.12747	4.7
179.08569	2.8
179.14276	14.6
181.10089	6.6
181.12109	2.3
183.08058	3.3
183.11649	15.9
185.09625	4.0
185.13255	10.3
187.11142	5.1
187.14795	3.4
189.09134	3.8
189.11220	6.2
193.10014	2.9
193.12198	5.8
195.07988	2.2
195.11697	6.6
195.13557	2.3
197.09538	4.8
197.13260	7.8
199.11177	4.2
199.14836	4.7
201.12808	3.6
205.10341	3.0
205.12152	3.5
207.11644	2.7
209.13292	3.1
211.11179	3.4
211.14682	4.7
213.12737	2.2
213.16379	3.3
215.14120	2.9
219.11638	2.1
219.13788	2.1
219.17416	5.4
221.13249	5.1
223.11168	2.7
227.12599	10.5
229.19235	2.0
231.11569	2.5
234.50458	2.5
237.16299	2.8
239.14381	2.3
239.17938	6.2
257.19006	12.2
257.22760	2.7
259.20636	5.5
263.18039	2.2
267.15714	2.6
269.18979	2.6
273.18484	9.4
275.20023	67.9
276.20352	2.8
279.17258	2.7
281.13742	6.4
285.22025	5.5
287.20050	3.6
291.19534	7.0
293.21216	3.9
295.20483	2.5
309.22003	3.3
311.19977	3.5
313.21588	15.5
329.20920	2.7
331.22256	3.3
349.24005	2.5
419.29330	11.3
421.31061	4.1
429.27792	7.0
437.30130	9.9
447.28860	21.1
455.31439	4.7
461.24802	2.6
465.29984	47.9
483.30954	23.5
511.34048	12.7
513.35657	4.4
521.32440	6.5
529.35156	28.3
533.34094	2.3
539.33508	68.8
557.34595	100.0
558.35022	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	557.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53553	1.1
53.03934	3.5
55.01860	3.5
55.05502	26.2
57.03433	7.1
57.07068	6.3
59.04970	1.2
65.03931	3.0
67.05135	2.5
67.05495	47.7
69.03413	1.3
69.07059	19.7
69.72058	5.0
69.72488	3.7
71.04982	3.9
71.08634	2.5
71.62819	1.0
79.05483	41.8
79.05924	2.4
79.64661	1.0
79.65147	1.2
81.03397	6.6
81.07047	49.6
83.04977	7.8
83.08605	10.2
85.06538	3.4
91.05468	42.5
93.07030	39.8
95.04955	9.3
95.08600	38.4
97.06509	5.5
97.10172	6.0
98.98465	4.0
99.08080	2.2
103.05467	1.8
105.07019	40.8
107.04949	6.5
107.08578	20.9
107.09244	1.7
109.06502	3.3
109.10139	13.0
111.08053	2.5
115.05465	2.2
117.07003	19.8
119.08569	31.1
121.06519	4.4
121.10132	12.0
123.08091	5.0
123.11709	2.2
123.69635	1.2
125.09635	4.1
127.07523	1.3
128.06206	6.9
129.06987	20.4
130.07784	2.5
131.08545	31.9
133.10114	20.1
133.11026	1.7
135.08063	4.0
135.11679	9.5
137.09650	1.2
139.11230	1.8
141.06975	8.5
142.07800	6.1
143.08540	27.8
143.09616	1.7
144.09302	1.8
145.06488	3.2
145.10106	31.4
145.11203	2.1
147.08083	3.4
147.11665	19.4
149.09634	2.8
149.13292	4.3
151.11160	2.1
153.07037	2.8
154.07791	3.3
155.01065	2.3
155.08521	23.6
156.09334	2.8
157.06578	1.5
157.10112	23.2
159.08083	1.7
159.11679	18.9
161.09634	3.6
161.13269	9.8
163.11215	2.8
163.14870	3.1
165.06998	1.6
167.08537	8.1
168.09375	4.1
169.10109	27.6
169.11491	2.1
170.10794	2.3
171.08080	1.8
171.11665	23.4
173.09627	2.0
173.13220	11.2
175.11107	2.3
175.14827	4.8
177.12766	3.3
179.08595	3.5
179.14355	1.2
180.09322	1.7
181.10103	15.9
182.10847	2.2
183.11658	22.1
185.13203	16.9
187.11243	2.8
187.14836	5.2
189.12827	2.6
193.10130	3.6
195.11653	13.3
196.12282	2.0
197.09680	1.8
197.13223	15.2
199.11172	1.4
199.14764	10.8
201.12770	2.3
201.16457	2.8
205.10278	1.8
205.12186	1.3
207.11761	5.3
207.13869	3.7
209.13200	10.0
211.14793	9.9
213.12857	1.6
213.16365	11.5
215.14305	1.7
215.18042	1.7
217.15715	1.2
219.11725	1.5
221.13322	3.8
223.14798	7.6
225.16432	4.6
227.14474	1.6
227.17982	1.5
231.21129	1.6
233.13211	1.7
235.14784	3.0
237.16370	3.7
239.18047	2.9
241.19508	5.9
247.14844	1.7
247.17017	1.7
257.18991	2.4
259.20526	11.9
261.22165	1.7
263.17987	1.5
271.20709	1.7
277.21796	2.5
279.16025	5.2
281.17450	7.0
283.20309	1.2
285.18463	1.5
295.20361	1.8
297.22351	3.1
299.20511	1.5
307.41180	1.2
311.20175	1.6
311.23807	1.5
313.21872	2.1
313.27338	1.4
314.28180	1.2
315.28000	1.6
321.22040	3.0
323.23898	3.6
325.21640	1.4
325.25381	1.2
333.24374	4.5
335.23816	3.8
339.23215	2.5
341.24432	1.8
353.24713	3.6
355.26254	1.7
367.26385	1.9
377.24554	1.3
395.57770	1.3
419.33261	4.2
429.31595	6.0
435.32953	1.8
437.34250	12.8
447.32602	27.2
455.35080	1.5
465.33655	27.7
483.34717	18.0
493.36401	1.4
501.35474	2.6
511.37906	2.5
521.36188	8.3
527.37323	3.3
529.38892	7.6
539.37305	100.0
540.37677	3.5
557.38385	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
55.01863	2.9
55.05503	19.5
57.03436	6.3
57.07076	4.1
64.95832	1.0
65.03920	2.3
67.05498	39.5
69.07060	16.7
69.47274	7.7
69.47668	2.1
71.04980	2.2
71.08639	0.8
79.05482	32.1
81.03391	1.7
81.07047	35.4
83.04966	4.9
83.08607	8.8
85.06526	3.0
91.05466	36.6
93.07034	31.8
95.04955	6.6
95.08590	28.4
97.06523	3.4
97.10155	4.7
99.08094	1.4
103.05436	1.5
105.07018	33.4
107.04927	4.2
107.08582	16.2
109.06537	2.5
109.10147	11.1
111.08053	2.3
113.39980	1.0
115.05445	3.6
117.07004	15.0
119.08562	24.5
121.06492	2.7
121.10126	10.5
123.08041	4.1
123.11649	1.9
125.09628	2.6
128.06210	5.2
129.06985	18.2
130.07826	1.8
131.08553	27.9
133.06534	1.3
133.10110	18.4
135.08035	1.7
135.11681	9.2
137.09612	0.9
139.11145	1.3
141.06964	10.1
142.07770	4.8
143.08551	23.5
145.06430	2.1
145.10109	26.5
147.08020	2.4
147.11670	15.0
149.09608	1.8
149.13225	4.2
151.11191	1.7
153.07011	2.3
154.07719	2.3
155.08530	23.0
156.09332	2.8
157.10115	19.9
159.08107	2.0
159.11668	18.1
159.12943	1.3
161.09642	3.1
161.13220	9.2
163.11124	2.0
163.14803	1.2
165.07031	2.6
166.07860	1.1
167.08551	8.7
168.09256	4.3
169.10095	21.6
170.10876	1.3
171.08058	1.7
171.11667	24.6
171.13033	1.5
173.09598	1.9
173.13239	12.0
175.11186	1.6
175.14799	3.3
177.12669	1.2
179.08585	3.3
180.09290	1.2
181.10097	15.1
182.10869	1.1
182.89465	0.9
183.11673	19.7
185.13246	14.8
187.11195	3.1
187.14867	3.4
189.12744	2.0
191.50458	0.8
193.10153	3.8
194.10924	1.3
195.11700	11.4
196.12492	1.6
197.13229	14.7
199.11134	1.2
199.14764	8.4
201.16354	1.9
203.14272	0.9
206.10725	1.1
207.11719	4.0
207.13843	3.5
209.13228	9.3
211.11142	0.9
211.14795	8.1
213.12807	1.6
213.16379	10.1
219.11696	1.1
221.13274	3.9
223.14830	5.9
225.16441	3.6
227.18021	1.3
231.21011	1.3
233.13118	2.2
235.14824	3.6
235.16890	0.9
237.16391	4.4
239.17918	2.8
241.19499	6.8
247.14763	1.4
247.17017	2.0
249.16400	2.5
251.18010	1.6
255.17458	1.3
257.19037	1.7
259.20532	10.6
265.19437	0.8
269.19043	1.1
271.20673	1.1
277.21741	1.1
279.15891	2.5
279.20767	1.1
281.17358	8.1
283.17014	1.3
283.20493	1.6
285.18701	1.0
285.22101	1.0
291.21069	1.3
293.19040	1.0
295.20511	1.7
296.68668	1.0
297.22031	1.5
299.23602	1.0
307.20645	1.3
309.22031	1.1
311.19928	1.2
313.21500	2.1
315.23206	1.4
321.22482	1.9
323.23502	4.1
325.21643	1.5
327.23215	2.0
330.76965	1.0
333.24326	5.5
335.23703	2.8
337.25208	1.5
339.23074	2.9
341.24725	1.7
349.25244	1.9
353.24768	2.7
367.26407	2.3
373.25323	0.9
419.33163	2.8
429.31509	7.0
435.32523	2.1
437.34161	11.4
447.32562	24.0
448.32901	1.5
455.35458	1.2
465.33585	30.6
465.39822	1.8
483.34677	17.1
485.34201	1.8
493.36755	1.3
501.35583	2.1
503.35538	2.5
511.38144	2.0
521.36255	9.1
527.37433	2.6
529.38855	8.2
539.37286	100.0
540.37622	3.2
557.38330	48.7
558.38611	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37888	0.9
53.03929	3.7
55.01862	4.3
55.05502	22.1
57.03428	7.1
57.07063	1.7
57.63913	1.0
65.03927	3.2
66.07240	1.0
67.05493	44.0
69.03423	1.3
69.07058	15.6
69.59669	4.2
69.60105	5.3
71.04985	3.0
77.03914	1.3
79.05479	38.5
81.03400	3.5
81.07040	44.2
83.04972	6.2
83.08604	8.5
85.06537	2.4
91.05465	38.2
92.14771	1.1
93.06432	1.7
93.07025	35.5
95.04964	10.0
95.08589	29.9
96.37552	1.0
97.06485	5.3
97.10138	5.0
99.08079	2.0
105.07011	32.9
105.22674	1.0
107.04906	6.4
107.08575	19.8
107.09245	1.7
109.06504	2.9
109.10116	10.9
111.08086	2.5
115.05487	2.0
117.06998	19.3
117.07784	1.5
119.08567	26.8
121.06519	3.2
121.10114	11.9
123.08086	4.7
123.11699	2.3
125.09641	2.6
128.06175	5.3
129.06973	19.5
129.07846	1.7
130.07790	1.3
131.08545	32.2
132.98648	1.1
133.06451	1.7
133.10104	16.7
135.08076	3.5
135.11668	8.2
137.09660	2.2
141.06944	8.9
142.07802	4.4
143.08534	24.5
143.09618	1.5
144.09320	1.1
145.06482	3.2
145.10097	29.0
145.11206	1.9
147.08035	3.9
147.11670	17.8
147.12732	1.6
149.09605	2.7
149.13240	3.8
151.11188	2.9
153.06984	2.2
154.07733	1.9
155.05983	1.0
155.08519	21.0
156.09348	1.7
157.06578	1.2
157.10104	21.3
159.08047	2.7
159.11674	20.9
161.09668	1.8
161.13235	10.4
163.11241	2.7
165.06995	2.2
166.07771	1.9
167.08577	9.0
168.09358	1.7
169.10109	24.0
170.10834	1.2
171.07976	1.1
171.11661	23.4
171.13057	1.7
173.09683	1.6
173.13225	12.9
175.11247	1.8
175.14850	4.3
177.12759	2.0
178.07758	1.3
179.08566	4.2
180.09331	2.1
181.10086	12.1
182.10950	1.5
183.11667	19.6
184.12529	1.6
185.09532	1.2
185.13222	13.4
185.14716	1.2
187.11264	4.4
187.14728	5.7
189.11151	1.2
189.12787	2.9
192.09348	1.3
193.10048	5.0
194.10933	1.3
195.11687	11.5
196.12486	1.5
197.09604	1.8
197.13229	15.2
197.14896	1.3
199.11215	2.2
199.14774	9.2
201.16431	2.6
203.14319	1.7
207.11742	3.8
207.13835	4.7
209.13251	9.9
211.14801	8.6
213.16330	9.6
215.18030	1.2
219.11760	1.4
221.13271	4.7
223.14844	6.1
225.16388	5.7
227.14459	1.4
231.17455	2.3
233.13356	3.8
235.14830	4.3
235.16953	1.9
237.16298	5.3
239.18040	3.1
241.14162	1.3
241.19460	5.1
247.16971	2.6
249.16476	3.3
251.17999	2.6
257.19077	3.2
259.20490	10.0
271.16925	1.3
275.20248	3.4
279.15979	3.5
279.21136	1.7
281.17322	7.2
283.20593	1.4
285.21973	1.4
295.20755	1.3
297.18881	1.2
297.22195	3.0
299.23621	2.4
307.20587	2.1
309.22205	1.6
311.20294	1.4
311.23755	2.5
313.21667	1.9
315.23141	2.2
321.22012	1.9
323.23755	3.1
325.21686	2.3
325.25363	2.5
333.24350	4.6
335.23856	4.1
339.23361	2.4
341.24640	1.2
349.25070	2.1
351.23358	1.5
353.24722	2.6
365.24976	1.3
367.26547	1.8
379.26340	1.5
403.31320	1.3
419.33063	5.1
429.31430	5.1
437.34152	14.4
445.30920	1.3
447.32550	25.6
447.38330	1.9
465.33640	28.9
466.35037	1.7
483.34671	19.8
501.35886	4.3
503.35135	1.8
511.37936	2.9
521.36041	10.7
527.37598	1.3
529.39093	8.4
539.37262	100.0
540.37488	2.3
557.38428	63.0
558.38202	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22186	1.7
53.03910	4.1
55.01842	2.1
55.05508	21.2
57.03420	6.2
57.07052	4.1
65.03918	3.5
67.05495	45.3
67.45390	1.7
69.07052	19.8
71.04973	4.4
72.45083	1.7
79.05477	39.1
81.03436	2.7
81.07046	42.3
83.04974	3.4
83.08589	9.6
85.06538	1.8
91.05466	36.1
93.07026	41.5
95.04935	6.5
95.08591	28.6
97.06512	3.7
97.10162	3.9
105.07013	39.6
107.04938	5.6
107.08582	14.9
109.06477	3.6
109.10141	9.3
111.08048	2.8
115.05384	2.4
117.07009	18.5
119.08569	29.1
121.06506	2.3
121.10102	12.0
123.08058	3.3
123.11719	3.9
125.09626	4.0
128.06233	4.4
129.06975	22.7
130.07770	2.8
131.08549	30.6
133.06490	2.2
133.10097	19.6
135.07990	3.4
135.11652	8.0
137.09576	3.0
141.06956	9.5
142.07803	6.6
143.08534	29.2
145.10107	31.8
147.08095	2.3
147.11656	16.5
149.13206	6.0
155.08542	26.1
156.09363	2.3
157.10107	29.4
159.08070	3.6
159.11667	21.5
161.09593	2.2
161.13248	11.0
165.06990	2.2
167.08528	10.8
168.09370	2.7
169.10100	26.8
171.11674	21.8
173.13225	11.4
175.14671	2.6
179.08580	5.1
181.10130	17.7
183.11667	23.3
185.13200	13.0
187.11182	2.8
187.14809	6.3
189.12701	2.8
193.10062	2.3
195.11644	15.0
196.12451	2.4
197.13228	17.8
199.14828	8.4
207.11772	4.2
207.13841	5.0
209.13290	11.6
209.14981	2.1
211.14842	10.4
213.16376	11.0
219.11568	2.2
221.13402	2.3
223.14822	6.1
224.66904	1.8
225.16408	5.1
235.14897	3.7
237.16364	4.3
239.17929	2.4
241.19485	7.2
242.95885	1.9
259.20480	12.6
275.20016	3.4
281.17453	8.9
311.19971	2.6
321.21918	2.7
323.23682	3.7
333.24268	5.2
335.23544	2.7
337.25650	2.1
339.23074	2.4
346.84467	2.2
353.24841	3.5
367.26202	3.4
379.09052	1.9
419.33279	3.7
429.31287	5.5
437.33960	11.5
447.32578	29.8
465.33551	34.7
483.34628	21.4
495.36243	2.1
501.35358	3.6
503.35455	2.9
511.37711	2.5
513.35095	1.9
521.36194	9.2
527.36914	2.6
529.38599	8.0
539.37256	100.0
540.37299	5.3
557.38330	51.3
558.38202	2.6
569.93958	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.5
55.01866	3.6
55.05501	16.1
57.03427	5.6
57.07063	3.4
57.14606	1.4
67.05497	33.8
69.07063	13.0
70.14783	5.8
71.04975	3.5
71.08595	2.6
79.05482	31.4
81.03426	2.2
81.07046	37.1
83.04970	4.3
83.08606	10.2
85.06515	2.8
87.04456	1.6
89.06021	2.3
91.05458	33.2
93.07034	28.2
95.04937	6.8
95.08593	22.2
97.06534	4.2
97.10158	4.1
98.21372	2.3
99.08098	1.6
101.06001	1.6
103.05453	1.6
105.07011	32.1
107.04956	5.1
107.08572	14.9
109.06479	2.6
109.10142	12.9
111.08055	2.9
115.05426	2.3
117.07001	16.2
119.08569	22.1
121.06494	3.2
121.10116	7.8
123.08047	2.7
123.11702	1.9
125.09639	2.4
128.06223	6.1
129.06992	13.8
131.08549	28.0
132.38782	1.5
133.10126	14.6
135.08041	2.4
135.11691	6.8
141.06976	8.7
142.07771	3.4
143.08542	22.3
145.06470	2.1
145.10109	21.4
147.08002	2.4
147.11642	14.5
149.09599	2.4
149.13298	4.1
153.06992	2.8
154.07785	1.9
155.08540	15.9
156.09314	2.0
157.10109	21.5
159.07968	2.4
159.11664	14.9
161.09702	2.0
161.13268	9.8
163.11215	1.8
167.08533	7.7
167.50337	1.7
168.09200	2.3
169.10112	22.6
171.11674	23.4
173.09677	1.9
173.13243	10.2
175.11288	2.2
175.14822	3.9
179.08585	4.0
179.14317	4.4
181.10092	12.1
182.10893	1.4
183.11678	15.3
185.09657	2.0
185.13232	11.1
187.11188	2.4
187.14822	4.1
189.12752	2.7
193.10185	3.9
195.11653	14.2
197.13240	11.9
199.14835	5.0
201.16429	2.3
207.11752	3.4
207.13809	4.1
209.11629	1.6
209.13275	9.6
209.58073	1.4
211.14798	7.5
213.16301	8.2
215.14378	1.8
217.10240	1.5
219.11650	1.9
221.13214	3.5
223.14848	5.4
225.16504	3.6
227.17966	2.3
235.14822	3.4
237.16479	3.2
239.17964	1.9
241.19550	3.0
247.16936	1.6
251.18018	2.1
257.19012	2.4
259.20651	9.3
263.17996	1.8
277.21671	2.9
279.15829	2.2
281.17514	5.5
293.18939	1.5
297.22205	1.8
304.18475	1.6
309.22101	2.2
313.21707	1.4
323.23822	3.2
325.25269	1.8
333.24280	3.9
335.23672	2.8
337.25180	1.8
339.23181	2.4
353.24509	1.9
365.24335	2.2
367.26089	1.6
419.33185	4.4
429.31555	6.0
431.55737	1.5
437.34113	15.0
447.32501	24.3
447.38293	2.4
465.33652	25.5
483.34741	16.9
485.34058	1.8
501.36102	1.9
511.37723	2.7
521.36523	9.3
527.37872	1.9
529.39044	8.7
539.37280	100.0
540.37372	4.3
557.38324	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	557.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	3.9
55.01860	3.5
55.05503	26.2
57.03421	6.5
57.07069	3.0
67.05495	38.8
69.07056	18.9
69.76904	12.2
69.77312	4.4
71.04975	3.6
79.05477	36.2
81.03397	2.4
81.07036	38.0
82.72658	1.9
83.04962	3.5
83.08598	9.0
85.06542	3.3
88.36234	2.0
91.05463	36.7
93.07029	32.3
95.04957	6.8
95.08586	31.2
97.06496	4.3
97.10150	6.1
105.07014	31.1
107.04942	4.5
107.08575	19.4
109.06498	3.3
109.10092	12.2
111.08061	3.4
112.78970	2.3
116.06177	2.2
117.06988	15.4
119.08553	27.7
121.06461	3.6
121.10142	13.3
123.08077	2.6
125.09611	3.1
128.06203	5.0
129.06982	21.2
131.08549	29.2
133.10121	17.9
135.08032	3.0
135.11641	8.5
137.09654	2.9
141.06961	6.6
142.07722	4.0
143.08539	27.0
145.10101	26.7
147.11673	18.4
149.13222	3.4
153.07077	1.9
154.07765	2.5
155.08539	23.2
156.09326	3.4
157.10098	21.5
159.08046	2.2
159.11687	18.5
161.13217	7.7
165.06961	2.5
167.08539	8.4
168.09293	4.0
169.10110	26.4
171.11658	26.1
173.13260	14.4
175.14854	2.8
179.08551	4.8
181.10092	12.2
183.11655	20.7
185.13257	15.7
187.11162	2.6
187.14783	3.6
193.10139	4.9
194.10834	2.9
195.11679	12.3
197.13200	16.1
199.14836	8.8
207.11671	5.6
207.13664	4.8
209.13277	14.4
211.14755	11.9
213.16309	11.2
215.14287	2.4
221.13301	5.3
223.14760	4.9
225.16428	5.4
233.13228	2.5
235.14742	3.1
237.16350	4.8
241.19438	4.6
247.16815	3.5
249.16290	3.4
251.18008	2.7
257.19034	2.8
259.20587	8.6
275.17773	2.6
279.15842	3.9
281.17352	5.0
289.21732	2.1
321.21930	3.3
325.21490	2.3
333.24133	5.6
335.23676	3.3
339.22498	2.5
341.03085	2.0
341.24615	2.1
349.25012	2.7
353.24704	4.6
365.24991	2.8
419.33154	6.1
429.31528	5.0
437.34201	15.9
447.32541	25.1
465.33478	28.0
483.34671	18.4
501.35345	3.4
521.36084	10.3
529.38605	6.8
539.37292	100.0
540.37463	3.0
557.38293	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78748	1.0
53.03939	9.0
55.01857	5.5
55.05505	29.7
57.03424	5.4
57.07066	12.9
65.03925	4.7
67.05494	77.2
69.03410	2.0
69.07061	21.2
70.01466	8.7
71.04990	3.8
71.08623	38.1
73.06566	1.6
77.03906	1.9
79.05483	84.9
81.03418	11.3
81.07047	78.3
83.04971	16.9
83.08603	15.4
85.02877	1.3
85.06547	4.7
85.10178	4.9
91.05468	70.9
93.07031	80.2
95.04964	25.2
95.08596	55.9
97.02864	1.9
97.06516	11.7
97.10146	7.4
99.08082	25.5
103.05457	1.8
105.04530	2.4
105.07011	46.6
107.04945	12.7
107.08582	39.5
109.06493	6.8
109.10135	19.8
111.08071	5.4
111.11636	1.4
111.91789	1.5
113.09655	3.2
115.05442	1.7
117.07003	14.0
119.08566	33.2
121.06493	4.6
121.10130	27.9
123.08086	4.6
123.11646	3.2
125.09641	2.4
127.93348	1.5
128.06239	4.2
129.06982	14.9
131.08539	11.0
133.06502	1.6
133.10118	22.7
135.08044	2.2
135.11676	33.5
137.09612	4.1
137.13301	1.7
141.09142	3.6
142.07805	2.0
143.08539	10.6
145.06421	2.1
145.10075	11.9
147.08075	3.7
147.11656	23.4
149.09619	2.9
149.13242	10.5
151.11160	14.8
155.08627	2.5
157.10161	4.4
159.11696	5.8
161.09584	2.4
161.13229	19.1
163.11179	8.1
167.10713	1.9
169.10196	2.5
171.11678	18.2
173.11768	1.3
173.13292	3.9
175.11227	1.4
175.14897	2.6
177.12790	5.7
179.14282	100.0
181.09912	1.5
185.13290	4.7
187.14903	2.2
189.12646	7.1
197.13318	2.3
199.14912	3.1
207.13800	11.0
209.13310	1.4
221.15422	3.2
225.14816	2.5
235.16966	5.3
239.23849	6.0
241.19487	2.5
259.20694	6.0
275.20142	2.3
277.21600	67.8
279.15826	2.2
281.17450	2.1
295.22690	6.0
313.27383	13.2
351.25574	3.0
361.70346	1.3
461.83984	1.4
483.30258	1.8
539.34039	4.3
557.38416	61.3
558.38617	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51894	1.5
53.03935	7.6
55.01859	2.9
55.05504	22.7
57.03425	3.5
57.07060	6.0
65.03924	3.3
67.05498	64.2
69.07053	16.9
71.05002	2.0
71.08622	27.6
73.06566	2.5
76.47026	1.7
79.05025	4.0
79.05485	76.7
81.03415	9.9
81.07043	58.5
83.04975	12.6
83.08604	12.8
85.06539	4.4
91.05466	59.2
92.25244	1.8
93.07033	69.0
95.04955	23.0
95.08591	40.5
97.06519	9.2
97.10161	2.9
98.20634	2.7
99.08095	22.7
102.93198	1.6
105.07014	47.8
107.04932	9.5
107.08582	30.5
109.06506	4.5
109.10129	15.0
111.08075	1.9
111.11726	1.6
113.09625	3.0
117.07008	12.0
119.08586	24.7
121.06470	3.8
121.10126	29.1
123.08041	3.7
123.11748	2.7
128.06261	3.2
129.06989	14.1
131.08549	8.6
133.10115	18.4
135.08035	2.8
135.11688	27.7
137.09604	4.6
141.09085	5.2
143.08574	7.1
145.10081	10.0
147.08060	2.3
147.11693	21.7
149.13251	10.0
151.11183	14.1
157.10107	3.8
159.11649	5.5
161.09657	2.1
161.13258	17.9
163.11211	6.3
163.14772	2.3
171.11664	17.1
173.13283	3.1
175.14772	3.0
177.12711	3.1
179.14281	100.0
185.13254	3.3
189.12819	5.3
199.14789	2.5
207.12053	2.1
207.13724	10.0
221.15378	2.1
225.14706	2.2
235.16904	5.8
259.20648	4.8
263.16559	2.7
277.21573	57.2
295.22714	6.7
333.34424	1.6
351.25278	2.9
539.37384	5.9
557.38324	57.2
558.37885	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.4
67.01860	0.2
67.05482	0.2
67.63927	0.2
69.03407	0.6
70.06577	0.3
71.70824	0.2
79.05481	0.4
81.03394	0.4
81.07041	0.5
83.04982	0.2
85.02873	0.7
85.06514	0.3
86.09688	0.3
87.98330	0.2
91.05451	0.3
93.07013	0.6
93.51151	0.2
95.04955	0.3
97.02898	0.4
97.06515	0.4
105.07021	0.3
107.04891	0.2
109.02888	0.2
117.03258	0.2
119.08542	0.4
121.10100	0.2
122.10403	0.2
127.03855	0.3
131.08521	0.3
135.04370	0.4
137.05960	0.2
139.03859	0.3
141.06990	0.4
142.07666	0.2
143.08498	0.3
144.05659	0.2
145.02821	0.3
145.10051	0.2
147.04391	0.4
153.01811	22.1
153.40697	0.2
157.06393	0.3
159.08038	0.3
163.03883	2.1
171.02879	0.2
171.04373	0.2
173.05980	0.3
177.05518	0.2
187.03978	0.2
187.07520	6.4
189.05435	2.1
213.05530	0.4
217.12196	0.2
229.08743	0.2
235.13168	0.3
243.63348	0.2
252.46925	0.2
253.05037	0.3
255.06470	0.6
265.04965	0.4
273.07608	0.2
281.04581	0.2
282.05191	4.5
283.05954	1.7
287.05634	0.3
293.08145	0.5
297.03830	0.6
298.04379	0.4
299.05460	0.3
307.05930	0.3
310.04733	0.8
311.05466	25.3
312.05804	0.7
321.07532	0.7
323.05408	0.3
324.06317	0.5
339.08588	12.6
360.77374	0.2
383.11203	100.0
384.11560	2.5
526.89154	0.2
559.14386	4.1
559.28381	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	559.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.2
55.05490	0.4
57.33169	0.2
67.05471	0.5
67.79454	0.2
69.03413	0.4
69.07043	0.4
71.70998	0.3
72.61159	0.2
74.09696	0.3
79.05487	0.8
81.03381	0.7
81.07034	0.9
83.08588	0.3
85.02864	0.6
85.06522	0.2
91.05445	0.7
93.07010	0.7
95.04945	0.5
95.08614	0.9
97.05833	0.1
97.06510	0.7
105.07006	0.6
107.04926	0.3
107.08565	0.7
109.06500	0.3
109.10103	0.5
110.58696	0.1
111.04442	0.2
117.06982	0.3
119.08541	0.6
121.02815	0.2
121.06490	0.2
121.10095	0.2
125.09549	0.3
125.20471	0.2
127.03892	0.2
131.08556	0.4
133.10069	0.4
135.04373	0.5
135.11644	0.2
143.08521	0.2
145.02831	0.3
145.10028	0.3
147.04399	0.4
149.09627	0.2
153.01794	1.1
157.10065	0.2
161.13235	0.2
163.03848	0.7
164.04073	0.2
170.63095	0.1
182.17465	0.2
183.33348	0.2
203.03293	1.1
203.24066	0.2
229.04950	1.7
239.70415	0.2
241.05005	0.2
242.05649	0.3
257.04422	26.6
258.05206	14.1
258.08032	0.3
259.05600	0.3
269.04202	0.2
270.05182	0.3
275.20126	0.3
285.03925	0.5
286.04691	31.3
287.05450	12.5
288.05838	0.2
297.07599	0.3
299.05521	0.2
313.06921	0.3
317.05655	0.2
325.07309	0.2
331.08087	0.4
332.08261	0.2
333.08777	0.4
333.47888	0.2
383.11203	100.0
384.11490	2.3
459.31046	0.2
541.34644	0.2
542.75250	0.2
559.14417	4.8
559.36676	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	559.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87235	0.2
55.01864	0.3
55.05501	2.3
64.61008	0.2
67.01853	0.4
67.05492	0.3
68.99765	0.4
69.03420	1.0
69.07022	0.2
70.36289	0.9
71.04987	0.3
79.05479	0.4
81.03390	0.6
81.07014	0.7
82.89425	0.2
83.04959	0.3
85.02885	0.8
85.06539	0.2
91.05460	0.5
92.62603	0.2
93.07027	0.4
95.04974	0.2
95.08640	0.2
97.02860	0.4
97.06517	0.5
101.44573	0.2
102.01140	0.2
105.07014	0.6
107.08601	0.3
109.02848	0.4
109.06506	0.3
109.10130	0.2
111.00776	0.2
115.05424	0.5
119.04921	0.4
119.08548	0.3
121.06428	0.2
121.10110	0.4
123.04326	0.2
125.09627	0.2
127.03863	0.3
128.06180	0.7
129.06946	0.2
131.08540	0.3
133.06483	0.3
133.10194	0.3
137.05949	0.4
139.03873	2.4
141.06927	0.3
143.04918	0.3
143.08556	1.0
145.06471	0.3
145.10085	0.5
147.04390	1.7
149.09615	0.2
151.03903	0.3
152.06219	0.2
153.01805	21.5
154.02184	0.3
155.08485	0.5
157.10149	0.3
159.08073	0.2
161.06013	1.0
163.03900	0.5
165.01793	0.2
165.06941	0.3
167.07004	1.4
167.08423	0.3
169.06528	0.3
171.02869	0.3
171.08028	0.5
172.70497	0.2
173.02492	0.2
173.05971	0.4
175.03937	0.3
176.04672	0.3
177.05420	0.5
179.03384	0.4
183.08035	0.4
185.09644	0.3
187.07500	0.2
189.05463	0.7
189.09119	0.6
201.05563	0.2
201.09117	0.3
203.03380	0.4
211.07538	0.5
213.09163	0.5
225.05438	0.3
229.04865	0.7
229.08621	0.4
233.11748	0.3
237.05379	1.2
239.07057	0.3
243.06403	0.3
253.04868	1.5
254.05571	0.3
257.04443	2.7
257.07590	0.3
258.05215	4.7
265.04974	3.2
266.05521	0.3
267.06476	0.5
269.04361	0.6
271.06070	0.6
279.06445	0.3
281.04404	3.3
282.05151	0.7
283.05914	0.3
285.03986	0.4
286.04681	10.2
287.05420	1.9
293.04443	1.1
294.05066	0.4
295.05975	2.9
297.03958	3.2
298.04886	1.0
299.05466	2.3
307.05783	0.4
309.03952	1.7
310.04639	1.6
311.05447	18.1
312.05838	0.5
313.03394	2.0
313.06915	0.5
323.05441	6.7
324.06015	0.3
325.06937	0.5
326.04221	0.3
327.04977	3.2
332.06845	0.4
337.10791	0.4
339.08591	0.7
353.10205	0.9
355.11740	5.2
365.10028	1.4
383.11191	100.0
384.11533	2.3
437.46777	0.2
559.14374	4.7
559.27991	0.3
566.49701	0.2
574.16663	0.2
582.19635	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	559.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.7
55.01858	6.8
55.05501	31.8
57.03423	12.6
57.07061	6.4
58.99569	2.3
59.58685	1.7
65.03950	3.6
67.05495	51.0
69.03413	7.3
69.07059	19.0
71.04980	4.9
71.71374	3.2
72.18211	1.9
79.05482	52.4
81.03400	22.6
81.07041	59.8
83.04961	8.4
83.08604	15.0
84.40472	1.9
85.02909	11.2
85.06542	5.0
86.99036	3.3
91.05463	59.9
93.07027	60.1
95.04971	16.9
95.08591	67.3
97.06529	7.9
97.10140	12.5
99.08086	3.6
105.00092	5.8
105.07009	88.7
107.04933	8.7
107.08578	65.3
109.02870	4.9
109.06495	12.8
109.10141	23.5
111.04411	3.2
111.08055	7.9
112.31041	2.1
113.05974	3.8
114.01008	2.1
115.05430	4.5
117.07005	24.6
119.08559	93.1
121.06491	9.0
121.10136	32.9
123.08041	5.3
123.11699	7.8
125.09606	7.6
128.06189	5.0
129.06989	18.6
130.07748	5.6
131.08543	77.4
132.99535	3.5
133.06445	3.9
133.10101	44.2
135.08040	9.8
135.11702	14.6
137.09593	3.9
141.06975	3.8
142.07785	10.0
143.08540	29.0
144.09314	7.5
145.06458	4.6
145.10106	100.0
147.08026	4.2
147.11673	44.5
149.05922	3.0
149.09607	9.1
149.13217	12.6
151.05779	4.6
151.11165	2.9
155.08531	10.6
156.09367	11.3
157.10103	40.4
158.10852	6.2
159.08058	4.6
159.11667	52.6
161.04169	4.6
161.06076	2.1
161.09605	3.7
161.13245	18.3
163.07510	2.7
163.11176	6.4
163.14807	10.4
165.06972	3.8
167.08586	4.3
169.10078	11.9
170.10835	11.9
171.11653	30.1
172.12488	4.7
173.09616	5.9
173.11681	3.1
173.13232	65.4
175.11226	7.7
175.14778	21.8
177.07347	2.5
177.16385	4.2
179.05287	3.4
179.08527	3.6
181.10156	5.1
183.11688	17.5
185.13232	50.3
187.11177	4.1
187.14790	69.9
189.11177	8.1
189.12709	3.9
189.16397	23.3
191.14177	3.4
193.10588	2.0
193.12202	13.6
194.10898	2.7
195.11635	7.0
197.13313	9.6
199.11494	1.9
199.14810	26.0
201.16354	40.7
203.08759	4.0
203.14302	8.7
203.17979	6.4
205.10432	7.9
207.11592	2.6
209.13283	6.2
211.13239	11.0
211.14870	4.9
213.16367	8.4
215.18022	2.6
217.12306	4.7
219.11758	2.4
219.13814	4.3
219.17427	2.5
223.14833	3.5
225.05745	3.1
227.12617	9.7
227.17889	4.7
229.19595	4.7
231.13756	6.7
233.15421	3.9
235.15028	2.8
239.17868	3.4
241.19521	2.9
249.12970	2.1
255.20944	2.5
257.18988	7.8
267.15903	8.0
275.20068	17.3
277.21686	2.9
293.11972	6.2
295.13620	6.7
297.21976	2.5
299.20078	5.2
307.13660	6.7
313.21744	2.0
315.23062	5.3
373.23694	3.0
373.28677	7.2
375.30139	2.7
383.11197	7.3
391.29758	4.7
419.29462	18.1
431.29309	2.9
437.30231	3.3
449.30096	5.6
467.31311	8.1
485.32275	3.2
487.30560	2.6
495.29037	8.8
541.27606	3.0
541.35767	29.9
559.29413	10.6
559.35999	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.2
54.01434	2.9
55.01871	21.3
55.05269	5.5
55.05506	70.1
55.78534	2.8
57.03432	17.1
57.07068	3.7
65.03938	6.7
65.40323	3.3
67.05499	99.9
69.03419	5.6
69.07063	49.1
70.02961	19.7
71.04994	8.2
72.18392	2.9
79.05023	4.7
79.05486	84.6
81.03408	65.6
81.07047	99.8
83.04967	19.3
83.08609	44.2
85.02876	8.0
85.06547	7.0
88.06865	3.0
91.05470	95.4
91.06042	5.4
93.07034	73.9
95.04962	42.9
95.08594	54.8
97.02863	3.1
97.06515	23.4
97.10164	36.6
99.08085	5.8
100.32550	3.5
103.05422	3.8
105.07018	77.8
107.04938	18.5
107.08591	55.4
109.06523	21.9
109.10151	30.5
111.04432	5.1
111.08097	7.5
113.06021	3.7
115.05454	9.4
116.06194	3.5
117.07018	31.1
117.93371	3.2
119.08559	59.1
121.06515	12.1
121.10104	27.1
123.08049	13.7
123.11735	11.4
125.09623	29.5
128.06213	10.0
129.06981	31.6
131.05014	3.9
131.08569	48.4
133.06459	10.2
133.10114	46.0
135.08035	13.3
135.11699	15.1
137.09648	5.6
141.06992	7.5
142.07817	3.7
143.08568	24.5
145.06496	7.5
145.10121	39.3
146.07198	3.4
147.08032	10.7
147.11682	35.4
149.09576	22.3
153.09033	3.9
155.08546	16.7
156.09294	4.3
157.06541	3.4
157.10153	24.7
159.07990	3.8
159.11682	27.0
161.09644	8.8
161.13283	12.3
163.09985	3.9
163.11104	20.5
167.08521	7.8
169.10115	12.5
171.08131	4.3
171.10300	4.2
171.11627	15.6
173.09621	11.8
173.11890	3.8
173.13254	13.2
175.11154	13.2
175.14842	3.4
179.14339	3.9
181.10135	9.3
183.08052	3.6
183.11723	11.3
185.09680	3.8
185.13272	11.0
187.11208	10.6
187.14830	4.1
189.11229	22.4
193.10625	3.9
193.12207	25.1
195.11710	6.8
197.13252	7.0
199.11150	4.3
201.12727	6.2
209.13251	4.1
211.13242	10.2
227.12686	23.4
233.15509	4.3
257.19034	13.3
259.20511	3.6
267.15945	28.2
271.20801	4.5
275.20068	59.3
293.21152	4.6
297.21954	7.1
299.20010	18.2
313.21686	5.6
315.23334	10.0
317.21042	6.7
349.23688	15.7
353.24622	4.6
355.22742	4.4
371.25531	4.8
373.23569	8.7
421.31223	4.7
431.29416	8.0
439.31992	3.7
449.30548	17.6
467.31497	13.9
485.32584	10.2
505.32938	4.7
523.33893	6.7
531.10071	3.9
541.35187	74.3
559.36310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.8
55.01865	18.1
55.05504	45.0
57.03428	11.4
57.07060	1.7
59.04997	2.5
65.03922	5.6
67.05493	79.9
69.03413	6.7
69.07056	38.1
70.06527	7.8
71.04980	7.0
71.29658	1.6
74.07163	1.7
78.42939	1.9
79.05482	74.9
81.03405	50.5
81.07043	71.8
81.07537	2.2
83.04972	17.4
83.08613	31.9
85.02892	16.6
85.06541	6.0
87.04477	1.9
91.05467	79.4
93.07030	55.8
95.04955	33.9
95.08598	40.8
97.02876	3.2
97.06536	17.8
97.10141	19.9
97.42920	1.7
99.08091	3.2
103.05445	2.4
105.07016	75.5
107.04944	15.2
107.08581	53.7
109.06506	13.9
109.10134	25.6
111.04437	2.6
111.08056	12.8
113.05990	2.6
113.09622	3.2
115.05434	5.9
117.07001	22.2
119.08560	51.1
121.06501	8.9
121.10133	19.5
123.08060	6.0
123.11742	6.2
125.09607	15.3
126.94852	1.5
128.06242	3.9
129.06984	24.5
130.07759	3.3
131.08549	45.7
133.06476	6.1
133.10106	37.2
135.08035	10.7
135.11678	11.8
137.09633	4.2
137.59406	1.7
139.94545	1.8
141.07010	3.5
142.07785	6.2
143.08534	15.3
145.06499	5.9
145.10097	33.4
147.08055	5.9
147.11658	34.6
147.55363	1.8
149.09579	17.3
149.13266	3.6
151.11133	4.1
153.06870	1.7
155.08565	8.2
157.10097	20.3
159.08078	4.5
159.11644	19.0
161.09698	2.4
161.13211	7.0
163.11166	14.1
165.09076	2.0
165.12756	3.9
167.08565	3.0
169.10095	10.7
171.11630	12.0
173.09616	5.3
173.11865	3.2
173.13274	9.1
175.11176	13.1
177.12805	2.8
179.08577	2.3
179.14328	6.6
181.10098	3.2
183.11598	10.3
185.13292	9.5
187.11163	5.9
187.14723	2.0
189.11211	9.8
189.12701	3.3
193.12202	35.3
195.11752	3.1
197.13242	4.1
199.14848	2.6
201.12749	2.7
203.14272	2.5
205.12265	1.9
207.11613	2.8
209.13242	3.1
211.11256	3.3
211.13239	39.4
213.12703	2.3
227.12706	13.4
229.14305	3.1
229.19456	2.6
233.15331	2.7
239.17943	5.4
247.17049	2.0
249.14853	1.9
257.19022	19.4
259.17139	2.6
267.15775	19.5
275.20029	62.8
279.21118	2.1
281.19177	2.6
285.17093	3.0
285.21988	2.0
291.19638	2.5
293.21149	5.2
295.20605	2.3
297.18045	1.8
297.22165	4.4
299.20023	7.5
313.21655	7.2
315.19739	2.6
315.23370	4.9
317.21072	2.7
331.22833	4.0
349.23660	11.3
373.24084	1.9
387.24976	4.1
413.28299	1.9
421.31232	1.7
431.29129	4.4
437.25430	2.6
445.29718	2.3
449.30688	6.3
467.31439	10.3
485.32321	8.2
513.36176	2.5
523.34033	6.8
541.35175	51.2
559.36212	100.0
560.36896	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	559.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.6
54.76822	1.9
55.01861	9.2
55.05502	46.3
57.03425	10.1
57.07042	2.1
59.04971	1.9
66.85807	1.8
67.05497	52.4
69.03422	6.3
69.07055	21.0
70.05679	11.9
79.05480	42.5
80.07993	2.0
81.03412	10.1
81.07045	45.7
82.07414	2.2
83.04964	11.1
83.08601	21.8
84.58954	1.9
85.02899	2.8
85.06521	3.5
91.05466	42.1
93.07036	40.3
95.04966	11.7
95.08590	27.6
97.02898	2.6
97.06524	5.9
97.10147	27.5
98.20713	2.2
99.08101	2.3
100.72343	1.9
105.07013	42.8
107.04961	8.5
107.08580	26.7
109.06509	5.6
109.10117	12.0
111.04479	2.7
111.08047	4.3
115.05438	4.7
117.06999	24.5
119.08559	32.2
121.06502	4.9
121.10127	12.7
123.08066	3.5
123.11710	3.2
124.97018	2.0
125.09603	25.2
127.00301	2.1
128.06265	6.2
129.06985	21.5
131.08563	39.5
133.06461	4.1
133.10121	22.1
135.08060	7.7
135.11671	8.1
137.09590	2.8
141.06975	4.8
142.07745	2.9
143.08530	18.2
145.06441	2.5
145.10104	32.3
147.08044	5.6
147.11664	17.3
149.09605	5.1
149.13260	2.6
153.09085	2.6
153.12769	3.6
155.08539	7.2
156.09322	2.7
157.10118	19.1
159.08026	4.1
159.11653	19.9
161.09688	3.5
161.13271	9.7
163.11185	8.1
165.12712	2.1
167.08578	3.8
169.10129	8.3
171.10301	3.2
171.11641	15.6
173.09619	4.3
173.11945	3.2
173.13211	14.9
175.11185	5.6
175.14792	2.6
181.10118	5.0
181.12225	2.3
183.11690	8.6
185.13281	13.8
187.11076	2.2
187.14818	4.4
189.11224	13.1
189.12778	3.6
195.11659	5.8
197.13301	7.9
199.14865	7.7
207.11800	2.3
207.17375	2.0
209.11519	2.5
209.13269	5.7
211.14850	3.6
213.12752	2.5
213.16327	4.0
219.11565	2.4
221.13148	2.4
223.14902	2.8
227.12689	24.3
235.14824	2.1
241.19458	6.2
257.19012	5.5
259.20563	13.1
263.18103	2.5
267.15955	2.7
273.18698	2.7
275.20148	4.7
280.09180	2.0
283.15399	7.8
283.20258	2.2
285.22012	2.1
287.23682	2.6
291.19586	8.3
297.22055	15.5
299.20132	2.6
315.23193	13.1
331.22461	3.4
333.24115	4.0
351.23172	3.0
421.30890	4.2
431.29471	7.2
449.30359	18.4
467.31393	16.6
485.32632	22.9
513.35822	5.4
523.33948	16.4
531.37036	5.7
541.35187	100.0
542.35773	3.5
559.36200	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32165	1.5
53.03925	4.0
55.01874	7.8
55.05504	40.8
57.03423	7.4
57.07066	2.7
67.05139	2.3
67.05493	38.7
69.03408	4.4
69.07064	15.6
70.07668	8.9
71.04977	3.6
79.05480	34.9
80.46194	1.5
81.03413	9.6
81.06602	2.8
81.07047	34.0
83.04980	9.7
83.08607	18.6
85.02904	1.8
85.06557	2.0
91.04916	2.8
91.05469	35.1
93.07036	34.3
95.04965	7.8
95.08575	14.5
97.02876	2.5
97.06533	5.5
97.10153	27.3
105.07013	31.2
107.04918	4.3
107.08576	21.5
109.06483	5.0
109.10153	13.5
111.04438	2.9
111.08060	2.9
115.05430	3.0
117.06998	22.9
119.08556	25.3
121.06508	2.5
121.10123	9.3
123.08053	3.8
123.11681	3.2
125.09623	22.7
128.06250	3.6
129.06987	16.1
130.07750	1.7
131.08549	26.4
133.06471	2.9
133.10112	21.2
135.08051	6.0
135.11685	8.3
141.06984	4.4
142.07767	4.0
143.08543	16.6
145.06458	2.3
145.10112	25.9
147.08064	3.2
147.11688	15.4
149.09630	2.4
149.13219	4.2
153.09067	2.9
153.12730	3.5
155.08514	8.9
157.10088	14.4
159.08022	2.9
159.11703	14.3
161.09637	2.2
161.13248	9.2
163.11153	9.6
167.08580	3.1
169.10091	9.1
171.11644	14.9
173.09596	4.1
173.13232	10.1
175.14786	3.6
181.10133	5.9
181.12245	2.0
183.11641	8.1
185.13223	11.5
187.12773	1.5
187.14775	5.2
189.11214	15.9
189.12685	2.6
190.96501	1.5
191.10625	3.5
195.11739	3.8
197.13222	6.5
199.14828	5.0
207.11668	1.9
209.11595	2.5
209.13313	3.6
211.14851	4.1
213.12807	1.9
213.16359	2.5
227.12746	28.3
227.14783	2.0
237.16467	2.0
241.15991	1.7
241.19603	5.7
245.13705	2.5
257.19107	2.7
259.20624	14.2
261.16367	1.7
263.17889	1.9
267.15930	2.6
275.20004	4.3
279.21060	2.8
283.15427	10.0
285.22006	1.9
287.23636	3.7
291.19629	2.4
297.22104	16.5
305.46252	1.7
313.21472	4.4
315.23096	16.1
329.21274	1.7
333.24237	5.3
337.21841	1.9
371.25735	3.4
413.28241	2.3
421.30792	4.2
431.29324	6.1
439.31827	2.2
449.30502	14.0
457.33157	2.8
467.31488	16.4
472.00238	1.7
485.32639	17.4
513.35583	6.6
523.34009	11.5
531.36487	4.5
541.35150	100.0
542.35382	2.1
559.36200	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.4
55.01860	9.3
55.05504	26.8
55.10388	1.6
57.03428	11.2
57.07065	3.0
59.69917	1.8
61.58448	1.4
65.03943	2.8
67.05136	3.0
67.05495	57.0
69.03419	3.9
69.07051	15.4
70.84409	4.0
70.84781	3.6
71.04987	5.9
73.02908	1.5
73.89057	2.0
77.03848	2.1
79.05486	66.2
81.03419	9.4
81.07044	62.1
83.04990	8.4
83.08606	18.9
91.05468	57.7
93.07029	73.1
95.04963	16.6
95.08591	63.3
97.02934	4.6
97.06532	10.0
97.10162	6.6
99.04462	5.2
99.08137	2.6
105.06322	1.2
105.07008	49.8
107.04940	13.6
107.08575	50.6
109.06535	8.7
109.10138	14.1
111.08080	5.9
113.09615	1.9
115.05494	3.0
117.06994	23.2
119.08563	62.0
119.09414	3.6
121.06489	9.2
121.10133	23.5
123.08027	3.9
123.11707	4.9
125.05988	3.1
125.09633	6.4
128.06226	3.2
129.06984	9.1
130.07796	4.6
131.08551	21.9
133.10110	35.7
135.08037	5.5
135.11674	58.7
137.09619	1.8
139.07500	2.3
141.06943	2.6
143.08571	11.0
145.06409	2.7
145.10107	44.4
147.08035	4.0
147.11670	33.4
149.09644	4.4
149.13237	8.2
151.11131	2.2
153.12683	2.2
155.08505	2.1
157.10129	8.4
159.07997	2.1
159.11693	15.0
161.13235	26.1
163.11163	58.5
163.14838	3.1
169.10179	3.9
171.11633	12.5
173.13217	12.7
175.11195	3.4
175.14780	12.2
177.12674	2.1
179.14299	4.7
180.85651	1.9
181.12164	11.7
183.11681	3.3
185.13222	12.3
187.14828	2.7
189.11200	1.9
189.16283	2.0
193.12198	3.8
197.13142	2.2
199.14862	6.3
209.11565	2.5
215.69408	2.1
227.12743	100.0
231.21053	4.6
241.19495	31.1
257.18970	4.1
259.20541	64.5
267.15894	4.1
273.18579	3.1
274.27258	1.8
275.20050	14.5
277.21570	3.3
283.15372	45.6
291.19507	4.8
297.22141	2.2
315.23184	10.6
333.24213	61.9
337.70227	2.2
349.23810	3.1
467.31561	4.7
485.32825	1.9
523.33612	2.6
541.35144	35.4
559.36188	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14256	2.1
52.18917	1.8
53.03930	5.2
55.01861	11.4
55.05504	50.2
56.71753	2.1
57.03424	12.5
57.07050	6.6
57.07315	2.1
59.04963	3.2
65.80984	2.0
66.40399	2.2
67.05497	64.3
69.03420	4.2
69.07053	23.6
69.42625	19.2
69.43054	5.1
70.18456	1.9
71.04967	5.8
71.08624	3.0
79.05480	55.2
81.03386	8.1
81.07047	64.8
81.07530	3.6
83.04959	11.4
83.08605	28.3
85.02937	2.4
85.10179	2.1
87.97716	2.1
91.05468	56.1
93.07034	49.6
93.37813	1.9
95.04945	10.3
95.08591	32.5
97.02854	2.9
97.06501	6.8
97.10154	33.6
98.20760	5.3
103.05431	3.3
105.07016	50.2
107.04935	8.5
107.08581	34.7
109.06509	8.2
109.10128	17.7
110.10480	2.2
111.04430	2.9
111.08044	5.4
115.05407	3.7
117.06998	28.5
119.08559	36.9
121.06481	6.7
121.10122	16.0
123.08057	4.9
123.11682	3.8
125.09616	30.0
128.06192	4.9
129.06978	21.4
130.07620	2.2
131.08543	42.6
133.06432	6.5
133.10107	28.0
135.08046	5.5
135.11661	12.9
135.41783	2.3
137.09647	4.2
141.07004	5.7
142.07745	5.8
143.08531	27.0
144.09282	4.3
145.06459	2.9
145.10107	32.3
147.08026	7.0
147.11673	17.1
149.09503	5.5
149.13216	6.8
151.11197	4.9
153.12683	3.7
155.08502	12.9
157.06432	2.3
157.10110	25.2
159.08032	4.5
159.11671	20.7
161.09616	5.1
161.13229	12.9
163.11153	12.4
167.08531	4.8
168.09311	2.7
169.10118	13.9
170.10838	2.8
171.11650	16.1
173.09592	6.3
173.13258	13.5
175.11195	3.5
175.14851	2.7
177.12672	2.5
179.08582	2.7
179.14279	2.9
181.10114	6.0
181.12195	3.3
183.11674	9.2
185.13210	17.5
187.11308	3.0
187.14737	7.4
189.11215	15.3
189.12727	5.1
193.10152	3.1
193.12126	3.4
195.11601	6.0
197.13229	7.8
199.11189	3.5
199.14827	8.4
209.13245	5.1
211.14745	5.7
213.16397	4.2
221.13289	4.1
223.14771	3.3
227.12720	29.8
241.19481	7.4
245.13707	3.5
257.18979	6.6
259.20551	15.9
263.18008	3.1
269.18857	2.5
270.84308	2.6
273.18536	3.3
275.19952	3.4
283.15356	10.4
285.22168	2.9
287.20233	2.8
287.23523	3.1
291.19510	6.7
297.22144	18.1
313.21683	4.3
313.27286	4.8
315.23154	18.3
315.26382	2.4
315.27795	2.0
331.22409	3.9
333.24094	6.8
343.26825	2.2
353.24725	2.4
421.30923	4.4
431.29169	5.9
435.32486	4.5
449.30356	16.6
467.31024	13.4
485.32181	19.0
509.35944	2.8
513.35321	6.0
523.33911	14.3
527.36963	7.8
531.36542	4.4
541.35101	100.0
542.35516	4.0
559.35950	56.8
559.47485	3.1
574.52234	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	559.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	8.3
55.01866	2.7
55.05506	32.7
57.03424	14.3
57.07068	3.0
65.03918	6.3
67.05494	100.0
69.03400	3.5
69.07060	23.7
69.68209	19.7
71.04971	5.4
71.30199	2.3
79.05484	93.0
81.03395	7.3
81.07043	95.0
83.04991	12.6
83.08597	11.5
85.06516	2.8
91.04921	4.6
91.05466	69.5
93.07030	93.7
95.04952	22.2
95.08588	58.8
97.06499	7.6
97.10126	4.1
105.07013	53.6
107.04963	5.7
107.08581	43.1
109.06490	6.2
109.10132	24.0
111.08047	2.6
115.05410	2.3
117.07005	14.9
119.08566	35.8
121.10140	18.9
123.08042	6.5
123.11678	6.0
128.06161	3.5
129.06982	16.1
131.08528	16.0
133.10083	17.3
135.11696	16.0
137.13229	2.9
143.08521	14.5
145.10066	20.7
147.11658	47.9
149.04251	2.5
149.13177	6.8
156.16389	2.8
157.10080	3.8
159.11664	10.6
161.09550	6.7
161.13274	13.4
163.14722	2.8
171.11644	33.7
173.13181	7.3
175.14781	4.7
185.13229	5.5
187.14778	4.8
189.12729	6.1
207.13776	21.2
225.14676	4.5
243.21080	2.8
261.22031	12.0
279.15933	3.6
281.17426	34.0
335.25769	68.8
435.03754	2.6
449.33987	3.3
529.38702	3.2
534.56427	3.3
541.38831	89.3
542.38953	2.8
559.39825	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	11.7
54.58511	2.5
55.01852	6.6
55.05499	30.8
55.39970	2.7
57.03424	13.7
57.07064	3.8
65.03922	5.4
65.15378	2.6
67.05493	97.9
69.07043	22.7
70.76214	2.9
71.04952	3.4
71.07834	7.6
71.08602	4.3
79.05480	100.0
81.03394	8.6
81.07040	94.3
83.04962	11.7
83.08601	13.8
85.06544	2.6
91.05460	70.7
93.07027	96.5
95.04942	22.6
95.08582	55.9
97.06514	5.5
97.10131	5.5
100.93978	2.8
105.04520	2.7
105.07013	57.6
107.04916	6.6
107.08577	45.0
109.06473	5.5
109.10136	24.4
111.08025	2.8
112.18709	2.7
117.03262	2.3
117.07027	15.3
119.08564	35.5
121.06435	4.9
121.10111	26.8
123.08027	5.9
123.11666	6.0
129.06989	18.5
131.08542	22.6
133.10104	21.6
135.11658	22.2
137.09415	3.0
143.08522	13.3
145.10107	19.9
147.11661	36.0
149.13234	9.2
155.08548	3.1
157.10124	4.6
159.11673	9.8
161.09578	2.9
161.13205	12.5
163.11214	3.2
163.14827	5.6
169.10126	5.3
171.11670	29.5
173.13234	9.2
175.14740	4.6
179.14265	3.4
183.11664	3.3
187.14690	3.2
189.12697	9.7
201.16187	3.5
207.13766	22.7
225.14796	5.3
235.14467	2.7
243.21027	3.5
259.20490	3.4
261.22067	11.8
279.15790	5.1
281.17395	36.6
287.03592	2.8
317.24719	3.7
335.21829	4.2
335.25766	56.7
424.03180	2.9
424.08990	3.0
449.34027	5.1
523.36536	2.9
541.38837	85.1
559.40186	19.7
566.41272	3.3
568.78491	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	559.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	12.2
54.07660	2.9
55.01867	4.8
55.05502	27.6
57.03430	14.0
57.07065	4.0
65.03931	4.6
67.05145	6.2
67.05494	95.7
69.07063	22.7
69.15101	2.6
70.35778	2.4
71.04971	8.7
71.08610	7.5
79.05477	100.0
81.03399	11.8
81.07040	83.1
83.04970	14.4
83.08609	18.6
85.06499	5.6
91.05460	80.0
92.05762	2.3
93.07027	95.2
95.04951	24.6
95.08000	4.5
95.08585	62.6
97.06502	8.8
97.10136	5.8
99.08070	6.9
105.04473	2.5
105.07013	58.5
107.04922	10.6
107.08570	35.8
109.06495	5.0
109.10133	20.1
111.08029	5.6
117.06989	20.9
119.08552	37.3
121.10129	23.1
123.08020	5.0
123.11713	4.5
128.06213	5.3
129.06993	16.4
131.08548	15.5
133.10143	18.5
135.08057	3.8
135.11664	15.4
141.06944	3.7
142.07800	2.3
143.08522	11.9
145.10074	19.0
147.11653	35.1
149.13219	9.1
151.11206	3.8
155.08473	3.9
157.10097	6.2
159.11650	10.8
161.13196	12.9
163.11128	6.0
163.14638	3.0
169.10077	6.1
171.11676	23.7
173.13222	8.4
179.14255	24.5
185.13232	6.2
189.12737	11.6
197.13237	2.8
199.14825	3.8
207.13770	22.5
211.14662	2.8
259.20749	3.3
261.22150	9.7
277.21539	12.8
279.15750	3.7
281.17453	40.1
317.24719	3.7
335.25729	40.5
353.25235	2.6
395.66455	2.5
449.34055	3.8
485.36142	3.2
541.38867	51.5
559.37085	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	559.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
55.01876	3.2
55.05505	31.6
57.03428	8.0
57.07063	8.3
63.09187	2.6
66.92228	2.7
67.05498	67.8
68.07119	3.0
69.07057	28.3
69.46565	30.7
71.04966	4.1
72.66846	2.6
79.05484	39.1
81.03387	4.5
81.06601	4.7
81.07048	61.8
83.04973	4.4
83.08593	17.5
85.06547	3.5
91.05467	41.7
93.07031	41.4
95.04942	10.4
95.08585	39.8
97.06507	5.6
97.10143	8.0
98.20732	5.4
103.05407	3.2
105.07018	45.2
107.04934	6.1
107.08601	22.9
109.10133	14.6
109.91080	3.3
111.08057	4.4
117.06994	23.6
119.08588	27.0
121.06445	4.1
121.10174	17.7
123.08041	8.0
123.11693	4.6
125.09602	5.7
128.06218	8.9
129.07004	25.5
131.08539	51.4
133.10071	13.7
133.43526	3.1
135.08017	3.5
135.11676	10.5
141.06975	11.2
142.07771	3.9
143.08554	39.0
145.10095	41.4
147.08012	2.8
147.11673	10.7
148.84174	3.3
149.09595	3.7
155.08531	20.4
157.10110	31.4
159.11682	18.2
161.09546	3.0
161.13217	5.7
167.08540	6.9
169.10097	22.6
171.11668	21.7
173.13271	7.4
177.12717	3.7
179.08475	4.5
181.10091	14.1
183.11676	24.4
185.13229	11.3
187.14844	7.6
189.12653	4.0
193.10085	4.4
195.11658	13.4
197.13293	10.3
199.14807	8.6
201.16420	6.5
207.13704	6.6
209.13248	7.9
211.14778	10.1
213.16385	7.0
217.15762	3.4
223.14766	7.8
225.16351	11.4
237.16365	5.9
241.14523	3.2
241.19545	3.5
253.19629	3.4
279.15915	6.0
281.17444	4.3
307.24185	4.1
319.24274	3.0
335.25879	4.0
337.25293	4.3
341.24509	5.3
361.24899	3.7
374.34222	2.8
421.34732	4.1
429.20554	5.8
431.33011	12.5
437.34064	13.6
439.35318	3.7
449.34189	27.5
467.35245	21.0
485.36142	16.3
505.36258	3.8
511.37601	5.8
523.37817	14.6
529.38910	20.7
541.38916	100.0
559.23340	40.1
559.40021	65.7
560.23322	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	559.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.9
55.01852	5.8
55.05505	40.4
57.03411	8.5
57.07058	7.1
57.16783	1.6
61.51702	1.9
65.03925	3.5
67.05142	4.1
67.05495	78.1
68.05856	1.8
69.06689	2.7
69.07055	31.1
71.04952	4.6
71.08618	2.9
71.44267	2.6
71.44617	2.9
79.05479	55.7
81.03381	6.2
81.07045	73.7
83.04954	6.9
83.08608	19.8
85.06508	6.2
87.99002	2.1
91.05471	45.9
93.07033	50.4
95.04951	15.9
95.08590	51.8
97.06512	9.5
97.10152	11.1
103.05428	1.9
105.07015	48.6
107.04916	9.0
107.08573	26.8
109.06483	3.4
109.10148	20.9
111.08048	6.0
115.05471	2.8
117.07002	24.9
119.08569	32.2
121.06458	3.7
121.10140	23.8
122.40419	2.1
123.08050	7.3
123.11667	4.1
125.09616	8.3
128.06198	7.7
129.06967	23.6
130.07761	2.1
131.08543	55.9
133.06470	2.3
133.10106	19.9
135.08034	3.6
135.11674	13.8
141.06970	12.1
142.07768	4.7
143.08537	35.0
144.09207	2.5
145.06433	4.5
145.10109	42.8
147.08051	3.7
147.11664	16.5
149.09560	2.3
149.12054	2.0
149.13234	6.5
150.00876	2.0
153.06923	2.2
155.08539	22.6
157.10106	32.4
159.08099	2.8
159.11691	17.7
161.09567	4.9
161.13240	9.4
163.11208	4.7
163.14792	3.8
167.08495	11.4
169.10104	26.7
171.11671	20.6
173.11879	1.9
173.13181	10.4
175.14841	4.8
179.08430	2.2
181.10098	16.6
183.11679	16.9
185.09557	2.5
185.13245	18.0
187.11172	3.8
187.14806	8.9
189.12701	4.0
193.10135	2.7
195.11725	12.1
195.13326	1.8
195.93192	1.8
197.13246	13.2
199.14764	8.8
201.12733	2.1
201.16324	4.8
203.14247	2.3
207.11670	5.8
207.13777	7.5
209.13222	8.3
211.14859	9.3
213.16348	8.3
215.17899	3.5
221.13193	3.5
223.14880	8.9
224.17865	1.7
225.16354	9.4
227.17900	6.7
234.12157	2.1
235.14693	5.4
237.16342	6.1
239.17914	5.2
241.14203	2.7
241.19458	2.4
243.21123	3.3
247.14772	2.9
249.16379	3.5
251.17970	3.7
255.17427	4.5
255.21164	2.0
261.21991	5.6
263.17743	3.2
269.22571	2.3
273.18454	4.1
279.15878	11.6
279.23468	2.2
281.17462	6.1
283.20801	3.3
285.18539	2.3
285.22052	2.8
291.19733	2.7
295.20746	2.8
297.21896	2.1
311.23486	4.3
317.82056	2.4
323.23611	3.9
325.25110	4.4
335.25644	7.1
337.25327	3.8
343.26208	2.3
353.24414	2.6
369.27792	2.6
419.33118	2.6
431.32980	14.6
437.33969	12.1
439.35770	3.8
449.34183	29.6
467.35318	20.1
485.36441	14.4
487.35934	2.7
503.37485	2.6
511.37625	5.0
515.36798	2.3
523.37958	12.3
529.38824	25.4
531.40277	3.6
541.38953	100.0
542.39056	3.5
559.40143	77.9
560.22467	2.3
560.40088	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	559.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	29.7
57.03413	21.3
58.97745	18.1
64.98831	16.5
66.49146	13.3
67.05482	87.2
67.88720	16.9
69.07043	44.9
79.05482	80.8
79.79924	15.2
81.07036	100.0
83.08597	22.1
91.05462	62.9
92.32169	17.7
93.07020	87.5
95.04934	35.0
95.08580	53.3
98.20686	43.2
98.21409	51.5
105.07007	38.0
107.08555	32.2
109.10159	20.1
112.93083	15.4
119.08556	25.1
121.10151	25.3
132.99890	17.6
133.10100	21.1
147.11649	32.5
156.15022	18.5
161.13235	21.0
171.11595	29.5
202.25780	15.6
207.13727	41.8
281.17465	33.9
281.90570	18.1
335.25854	80.4
362.98776	16.3
396.61218	15.2
540.85944	15.7
541.38733	61.6
559.40216	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	559.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80159	2.3
53.03932	9.0
54.59197	2.4
55.01865	6.6
55.05502	41.6
57.03426	11.7
57.07065	9.9
59.04997	2.7
65.41630	2.3
67.05500	88.3
69.03418	3.1
69.07062	35.7
71.04976	6.7
71.08614	5.5
71.70776	3.0
71.71190	2.9
79.05484	65.5
81.03412	8.4
81.07050	82.8
83.04967	10.9
83.08609	23.9
85.06536	6.8
89.06031	5.6
91.05469	51.6
93.07034	68.1
95.04964	14.4
95.08598	60.9
97.06517	12.5
97.10150	13.7
99.08087	6.1
105.07017	52.7
107.04939	12.4
107.08581	34.8
109.06508	10.4
109.10134	24.7
111.08089	6.3
111.11662	3.0
117.07009	28.5
119.04916	3.1
119.08564	40.6
121.06493	6.0
121.10110	22.3
123.08086	8.2
123.11697	6.7
125.09641	9.9
128.06245	6.1
129.06985	25.0
131.08549	49.3
131.09464	4.4
133.10114	21.7
135.08061	5.0
135.11690	14.5
137.09602	4.2
137.13281	2.6
141.06976	10.9
142.07700	4.4
143.08559	33.6
145.06488	4.5
145.10110	38.8
147.08032	5.9
147.11687	18.3
149.09595	4.5
149.13245	9.4
151.11163	3.0
155.08524	22.4
156.09251	2.6
157.10106	29.7
159.08063	3.0
159.11682	21.6
161.09660	4.5
161.13243	11.6
163.11133	5.8
163.14827	2.7
167.08482	6.9
169.10118	25.5
171.08096	3.4
171.11694	20.5
173.13278	10.7
175.11110	3.5
175.14920	3.4
177.12714	3.7
179.14288	7.1
180.09280	3.2
181.10097	9.7
183.11716	12.8
185.13266	14.0
187.11203	4.5
187.14783	6.7
189.12788	3.8
193.10135	5.7
195.11720	14.1
197.13245	14.1
199.14821	8.5
201.16357	4.2
207.11787	3.9
207.13817	7.5
209.13229	6.7
211.14818	9.4
213.16495	6.0
215.17987	3.1
217.19449	3.2
221.13333	4.1
223.14998	5.4
225.16432	6.0
227.12790	5.1
227.18005	4.3
235.14890	5.1
235.20601	4.0
237.16373	4.8
239.18025	3.4
241.19658	5.3
251.17915	3.2
253.21667	7.5
255.17314	3.4
257.19193	4.0
259.20581	2.8
261.22284	3.0
273.18524	8.5
275.20264	3.9
279.15817	8.4
281.17520	9.1
291.19623	9.6
299.20267	2.7
311.23730	4.9
319.24081	3.2
323.23416	3.1
325.25171	5.9
335.25967	5.1
363.26785	3.3
431.32889	15.3
437.33908	9.4
449.34222	30.6
467.35504	16.7
485.36380	12.4
511.37845	3.8
513.38745	2.7
523.37958	17.2
529.38898	20.0
531.39856	4.6
541.39050	100.0
542.38104	2.9
559.40277	76.0
560.22565	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	559.456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41370	1.9
53.03928	6.2
53.98734	2.1
55.01861	7.8
55.05501	57.0
57.03429	5.0
57.07066	13.9
60.63434	2.1
65.03914	3.7
67.05494	78.0
67.78754	2.4
68.05802	2.4
69.07057	70.6
71.04967	9.8
71.08621	12.5
77.60972	1.9
79.05476	52.0
81.03391	6.9
81.07043	100.0
83.04957	11.2
83.08608	43.7
85.06521	7.8
85.10168	3.6
91.05465	53.6
93.07030	65.7
95.04951	24.7
95.08588	77.2
95.09195	4.0
97.06507	16.4
97.10153	53.5
99.08060	11.3
105.07014	42.0
107.04951	10.5
107.08572	37.2
109.06484	12.3
109.10138	33.3
110.10505	2.3
111.08069	8.2
111.11705	21.2
113.06030	2.6
116.06283	2.3
117.07006	16.7
119.08546	35.3
121.06498	4.7
121.10123	34.3
123.08028	8.1
123.11706	15.0
125.09591	12.8
125.13261	4.6
128.06181	2.7
129.06995	9.0
129.09163	2.8
131.08534	18.2
133.10106	32.1
135.08017	4.6
135.11665	40.3
137.09612	7.3
137.13240	9.3
139.11171	9.2
143.08540	10.6
143.10677	2.4
145.06425	2.2
145.10109	20.8
147.07974	4.2
147.11670	19.8
149.09648	3.1
149.13249	11.3
151.11165	11.4
151.14832	6.4
153.12714	6.4
155.08514	4.0
157.10095	12.4
157.12227	4.2
159.08081	2.3
159.11700	11.5
161.09615	3.2
161.13277	17.5
163.11182	14.5
163.14867	3.8
165.12718	8.5
169.10100	5.4
169.12233	4.3
171.11662	8.3
171.13736	3.1
173.13239	6.9
175.14778	7.3
177.12663	3.5
177.16348	3.3
179.14276	27.7
181.12242	3.8
185.13242	7.6
189.11206	5.4
189.16359	2.2
193.12210	2.6
193.19461	6.2
195.11702	4.3
195.13861	2.5
217.16109	3.3
217.19498	43.7
227.12735	17.6
235.20525	64.0
239.47002	2.8
253.21587	71.7
254.21999	2.5
259.20483	3.4
267.15799	3.2
271.22665	25.6
273.18457	8.1
275.20050	5.1
277.21619	16.0
285.22214	2.5
291.19547	11.1
315.23071	4.6
429.78027	2.5
449.30389	4.4
467.31131	4.1
485.32907	3.4
518.52881	2.4
527.37189	11.9
541.34698	16.7
556.23053	2.4
559.35815	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.7
55.59569	0.4
57.03437	1.6
60.04504	0.4
61.02903	1.5
67.05472	1.5
68.04980	0.5
69.03422	4.9
70.06567	0.9
71.01318	0.3
71.04974	0.7
71.24789	0.8
73.02917	1.7
79.05473	0.3
81.03389	1.4
84.08120	0.9
85.02900	8.3
86.09673	0.7
87.04446	1.3
91.03934	0.5
97.02890	2.9
97.21838	0.3
109.02863	1.0
111.04498	0.3
115.03871	0.6
127.03922	1.7
134.04614	5.9
135.02969	0.4
145.04907	0.8
148.17038	0.3
152.05656	1.4
158.07111	0.6
163.03903	0.5
165.02292	5.7
167.02602	0.8
167.03882	0.4
175.09782	0.8
181.05412	1.0
182.04945	100.0
183.05127	0.8
183.06648	0.5
184.07437	0.5
190.03023	0.8
194.04945	4.2
195.47778	0.4
200.09300	1.5
205.05396	4.1
216.04633	1.7
218.04898	0.5
219.06955	1.5
221.08559	1.4
224.05997	1.1
231.06989	12.1
233.07220	0.5
248.09641	26.3
266.10681	56.5
267.11005	0.9
314.09146	1.3
344.10254	0.4
380.13651	0.8
398.14883	10.2
398.19879	0.7
428.15961	48.6
429.16153	1.3
560.20148	27.6
561.20428	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.8
53.11413	2.1
55.01865	5.6
55.05505	22.0
57.07030	2.2
64.19441	1.9
67.05497	39.7
69.03401	3.3
69.07059	22.2
71.04975	4.0
71.70994	3.7
71.71384	3.0
79.05022	3.6
79.05484	73.5
79.94561	2.3
80.05791	3.1
81.03410	12.9
81.07044	46.9
82.87561	2.2
83.04969	5.9
83.08617	12.1
85.06518	3.2
85.15836	2.3
86.09673	3.7
91.05465	36.2
92.05786	4.9
93.07029	83.1
94.07356	3.5
95.04983	10.8
95.08591	28.4
97.06501	6.8
97.10143	7.8
105.07012	23.8
107.04942	4.3
107.08580	46.4
108.08900	3.9
109.06528	5.3
109.10168	17.3
111.08078	3.7
117.06987	9.0
119.08580	13.9
120.08873	4.6
121.06482	2.4
121.10126	40.0
123.08123	2.2
123.11684	4.9
125.09636	4.8
129.06972	4.9
131.08536	9.6
133.10101	17.8
134.10423	3.3
135.11679	42.0
143.08595	4.5
145.10097	8.8
147.11662	10.0
147.13710	2.4
148.12030	4.2
149.09561	6.3
149.13245	17.2
157.10077	4.9
159.11681	6.2
160.12070	3.2
161.13257	2.5
163.11194	3.8
163.14838	5.4
171.11719	4.9
175.11151	3.8
175.14751	4.9
184.07318	8.7
185.13222	4.6
193.12190	3.3
193.15866	2.1
195.13785	2.6
195.90150	2.3
211.13219	2.7
213.16403	2.8
231.17374	2.5
241.19545	2.7
259.20529	5.7
267.15839	3.2
275.20065	7.3
276.20438	5.9
277.21591	100.0
301.94016	2.1
469.16467	5.6
542.35474	15.5
560.36859	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	560.306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20195	1.5
53.03934	4.4
55.01858	2.3
55.05508	7.8
56.05016	1.7
64.65496	1.5
67.05498	18.6
69.03416	9.7
69.07046	7.0
70.06574	4.4
71.04975	5.2
71.71106	2.5
79.05113	1.5
79.05490	12.2
81.03408	12.5
81.07038	26.0
82.07394	1.4
83.04946	5.3
83.08608	4.8
84.04463	2.1
84.08122	6.8
84.59870	1.3
85.02897	8.5
85.06537	4.6
86.09698	2.7
91.05466	20.5
93.07032	37.2
95.04967	11.1
95.08592	35.3
97.02874	5.6
97.06518	9.3
99.04476	2.9
99.08047	2.5
101.06010	1.6
102.40934	1.4
103.05456	5.2
105.07030	19.9
107.04938	4.8
107.08572	7.8
108.05746	2.5
109.02866	4.8
109.06493	3.8
109.10114	5.1
111.08097	3.3
113.09679	1.6
117.07010	3.3
119.04885	3.5
119.08562	10.0
121.06486	17.4
121.10114	4.8
123.08050	50.9
127.03868	10.6
129.06944	2.2
129.10243	2.5
131.04919	16.1
131.08507	3.4
133.06448	3.0
133.10117	7.4
135.04382	2.8
135.07996	2.1
135.11667	5.1
136.07472	1.7
137.05998	1.8
137.09613	2.5
137.13199	2.2
139.07541	1.8
143.08556	3.0
145.02876	1.8
145.04987	1.7
145.06454	1.8
145.10120	4.0
147.04382	5.1
147.11638	3.6
149.05957	27.9
149.13182	2.2
151.07497	7.3
153.01797	3.1
157.10103	1.9
159.11639	2.6
161.13228	12.7
163.03917	4.6
163.07518	1.9
167.07024	60.9
173.09665	1.9
173.11617	2.3
173.13239	1.9
179.14294	11.2
195.13693	1.9
197.15359	2.7
201.12544	1.5
203.14249	2.1
207.13857	2.2
209.15399	3.2
219.13841	2.3
225.14807	2.5
236.12717	2.9
237.14812	3.4
239.16536	1.7
257.04480	12.3
257.06805	2.1
258.04776	16.7
259.05499	3.2
259.16595	1.6
286.04620	4.1
287.05350	18.5
287.16446	5.3
288.05722	13.4
293.10498	1.7
299.05521	2.2
305.17426	15.2
313.03241	5.0
323.18466	42.8
341.19498	21.1
355.08154	2.7
383.11166	33.3
384.11539	100.0
385.11694	5.4
399.10663	22.7
489.24841	3.0
560.14496	6.4
577.32892	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.4
55.01860	18.3
55.05499	46.8
56.05832	6.2
57.03424	26.5
57.57439	3.8
59.04982	5.4
65.98289	3.6
67.05497	78.5
68.05812	6.1
69.03408	11.3
69.07063	22.1
69.56698	21.3
69.57120	12.3
71.04966	9.4
79.05480	67.7
80.05815	9.0
81.02939	6.1
81.03407	94.9
81.07040	75.6
82.03730	5.0
82.07368	7.2
83.01308	8.5
83.04974	26.9
83.08606	40.2
85.02889	8.4
85.06496	5.3
91.05466	69.7
92.05806	11.8
93.07030	63.3
94.07348	6.0
95.04954	45.6
95.08615	31.6
96.05305	5.8
96.08932	7.4
97.06503	16.3
97.10144	18.3
105.07015	56.0
106.07337	8.6
107.04953	20.5
107.08587	35.7
108.08881	5.4
109.06511	13.7
109.10145	17.9
110.10534	3.8
111.04393	4.1
111.08061	7.4
117.07011	22.5
118.07282	3.8
119.08566	40.1
120.08868	9.3
121.06494	7.4
121.10120	23.5
123.08009	12.1
123.11725	6.0
125.09592	11.9
129.06960	19.4
131.08554	24.6
132.08868	6.2
133.06467	6.2
133.10126	17.5
134.10466	7.8
135.08031	5.8
135.11665	12.0
137.09589	5.5
142.07742	3.6
143.08563	7.2
145.06543	4.7
145.10127	23.0
147.08020	8.6
147.11626	22.1
148.12015	6.0
149.09589	15.6
149.13278	3.5
150.09909	5.4
155.08498	6.9
157.10129	18.2
159.11670	8.0
160.11931	4.1
161.05887	5.9
161.09529	4.2
161.13158	4.3
163.11163	16.3
169.10078	8.5
171.11697	9.5
173.09589	6.8
175.11145	11.8
189.11244	4.3
193.12173	26.5
194.12602	8.1
197.13225	4.3
209.11578	3.9
211.13240	11.6
227.12738	8.8
231.13597	6.2
257.19055	4.0
258.19214	8.8
267.15872	72.0
268.16202	8.1
275.20059	16.0
276.20325	13.7
283.15335	50.0
349.23788	3.7
350.24106	4.3
365.21011	7.1
383.22165	39.5
401.23065	13.0
419.24612	4.5
431.24075	4.2
440.31689	4.3
450.30435	5.3
457.25732	35.3
463.00287	4.1
468.31741	5.3
475.20032	5.0
475.26862	100.0
476.27121	5.4
493.27689	7.8
524.34406	6.4
542.35590	37.7
560.36426	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.0419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	0.8
57.03419	2.2
58.44112	0.8
61.02919	2.1
69.02654	0.9
69.03426	5.8
70.01040	4.5
70.01445	1.6
71.04995	1.0
73.02923	1.5
78.26550	0.8
79.05477	1.7
81.03407	3.4
83.04951	1.7
85.02895	11.3
87.04428	1.0
91.03931	1.1
94.93003	54.0
96.92803	1.6
97.02897	5.7
98.97578	2.3
107.04963	2.6
109.02844	2.0
110.97549	0.9
111.04420	1.4
111.81678	0.7
115.96204	0.8
116.98637	1.4
119.01932	3.3
121.06509	1.1
122.92472	2.1
127.03874	4.5
131.01842	1.5
134.92497	2.0
135.04407	2.4
136.94002	4.5
137.06010	1.2
143.01894	3.0
145.03464	1.0
145.04941	3.9
147.04442	0.8
152.93506	2.6
152.95331	1.0
155.01886	1.3
158.99622	1.8
161.02904	4.3
166.91466	1.1
166.95117	1.2
167.07047	1.4
169.03651	0.9
170.05363	0.9
171.05025	1.7
173.02992	3.5
173.04691	0.7
175.04411	1.0
176.93500	29.8
180.93033	3.8
181.04953	2.4
185.02997	2.8
187.04530	1.6
188.93524	1.6
192.93018	2.8
194.94565	3.4
197.03131	1.0
201.04892	1.2
203.04036	3.4
210.94077	2.1
219.01826	1.4
222.94032	65.6
223.04698	1.0
224.95662	2.8
230.68610	0.9
232.96199	0.9
234.94072	2.6
239.06154	1.2
245.05090	5.0
247.05164	0.9
250.93530	14.3
250.95898	1.5
263.06143	1.4
264.95120	3.9
275.06305	1.2
281.06989	1.1
282.96146	5.3
291.07898	1.0
291.58154	1.0
299.07007	1.9
308.95856	1.6
309.10330	1.2
316.22147	1.0
321.10379	1.9
322.97098	1.8
340.98285	1.6
351.11295	0.9
365.09338	1.9
367.10779	1.6
380.09689	1.7
387.55896	1.0
413.00632	4.0
436.97195	1.1
468.99509	9.4
496.98828	5.3
501.02084	2.4
529.01648	23.8
561.04272	100.0
561.14038	7.8
562.04523	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	6.2
55.01865	15.3
55.05237	1.8
55.05500	35.4
57.03428	11.5
57.07056	3.8
60.07172	1.4
63.89843	1.5
65.03916	6.2
67.05492	82.7
69.03397	4.8
69.07054	35.7
71.04976	5.8
71.08614	3.8
71.70901	2.5
79.05481	61.4
79.13072	1.5
80.05812	1.7
81.03404	5.5
81.07040	100.0
82.07392	3.6
83.04968	11.8
83.08603	22.8
84.06184	1.5
85.06529	4.0
86.37399	1.4
91.04919	3.3
91.05465	54.1
92.05785	2.3
93.07030	74.3
94.07394	3.1
95.04944	13.0
95.08002	3.3
95.08589	44.1
97.06507	25.2
97.10149	11.0
97.82407	1.9
98.67037	1.5
99.08067	5.2
105.07010	46.9
105.07716	2.8
107.04919	11.6
107.08575	40.5
109.06505	8.4
109.10131	18.2
111.08041	8.4
113.09639	2.9
115.05399	2.8
117.06985	16.6
117.83837	1.7
119.08565	39.7
121.06480	5.5
121.10118	27.4
123.08044	9.3
123.11682	7.1
125.09615	8.9
128.03029	2.1
128.06174	2.1
129.06976	8.9
131.08548	26.5
133.06467	4.6
133.10103	33.3
135.08029	7.4
135.11658	13.5
137.09598	5.2
139.11177	1.9
141.06952	2.4
143.08531	7.6
145.06444	2.5
145.10109	22.8
147.08073	2.9
147.11652	16.8
149.09583	13.3
149.13242	19.2
151.11174	6.4
153.09097	2.9
155.08499	5.1
157.10123	10.5
159.11659	19.5
161.09665	3.2
161.13229	6.5
162.99670	1.5
163.11267	7.9
165.12741	4.8
167.08440	2.4
169.10118	5.3
171.11673	9.0
173.13219	7.1
175.11160	3.9
175.14766	2.0
177.12711	4.6
179.14287	4.3
180.09459	1.9
181.10092	3.7
183.11668	6.5
185.13278	4.7
187.11223	1.9
189.11131	3.0
189.12686	2.2
191.14313	2.1
193.12177	2.5
195.11885	1.4
195.13805	11.0
197.13235	5.5
199.14830	2.7
201.12756	2.8
209.11584	2.4
209.13278	1.9
211.14844	2.3
213.12738	2.0
220.43761	1.8
227.12837	7.4
229.19374	3.1
233.15326	2.2
239.17900	3.6
247.20462	3.7
253.14258	3.1
257.18933	8.2
258.63425	1.8
259.20587	3.0
267.15909	5.9
269.17416	27.4
273.18622	2.1
275.20026	49.4
277.21597	3.2
285.16711	1.7
293.21039	4.8
315.23038	2.2
349.23685	16.7
392.02704	1.8
433.31018	4.7
447.31213	1.8
451.32132	9.9
463.30246	9.0
469.32898	8.8
487.33713	3.4
515.37402	2.1
525.35590	10.3
543.36761	38.0
561.37775	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.2
55.01858	13.5
55.05499	36.2
57.03436	11.6
57.07068	3.7
65.03930	4.2
67.05492	83.7
69.03399	3.2
69.07061	31.8
69.54203	1.8
69.82413	1.9
69.82731	13.4
70.42837	1.8
70.82668	2.0
71.04972	8.1
71.08613	2.7
79.05480	66.7
81.03422	9.5
81.07041	100.0
83.04970	9.4
83.08606	15.8
85.06525	6.9
87.73792	1.7
91.04916	4.0
91.05466	53.8
91.06040	3.6
93.07027	71.5
95.04957	17.8
95.08591	47.4
97.06523	19.1
97.10142	10.0
99.08067	5.6
105.07020	45.0
107.04922	13.6
107.08582	43.7
109.06548	9.7
109.10135	22.5
111.04403	2.3
111.08070	7.3
111.69385	1.8
115.05438	5.0
116.46076	1.7
117.07009	20.3
119.08563	33.6
121.06480	6.6
121.10122	23.9
123.04363	1.9
123.08057	6.8
123.11683	3.5
125.09604	8.6
128.06171	2.9
129.06956	10.7
131.08556	30.5
133.10112	30.7
135.08020	6.1
135.11684	15.7
137.09654	2.5
139.11201	2.4
142.07764	2.1
143.08560	10.6
145.10104	22.8
147.08020	3.4
147.11649	16.3
149.09601	12.0
149.13245	15.4
151.11162	5.8
153.12782	3.0
155.08545	4.2
155.72893	1.8
157.10109	8.6
159.11626	16.9
161.09578	3.9
161.13235	7.5
163.11165	8.4
165.12808	3.9
169.10112	6.5
171.11575	8.8
173.13232	8.1
175.11191	3.4
175.14752	3.3
177.12737	6.1
179.14304	4.5
183.11691	5.7
185.13260	4.1
189.11243	3.5
189.12788	2.4
195.11745	2.6
195.13791	6.5
197.13213	2.8
199.14938	3.0
201.16313	2.3
209.11700	3.5
213.14740	2.2
227.12776	8.1
229.14232	1.9
239.17877	3.2
247.20668	3.5
257.18939	9.0
259.20724	2.9
267.15802	5.4
269.17419	20.8
275.20026	42.2
277.21558	7.2
278.77213	2.1
283.20630	2.3
293.21167	7.3
315.23264	2.8
333.24265	2.1
349.23697	19.6
433.31046	3.8
451.31934	6.7
463.30551	5.3
469.33057	7.2
485.00424	2.0
487.34152	2.6
525.35370	8.9
543.36731	39.3
561.37805	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	6.4
53.52938	2.7
55.01863	9.2
55.05502	50.6
57.03421	11.4
57.07067	7.0
61.37290	2.6
63.98410	2.9
65.03942	4.6
67.05492	87.7
69.03416	6.6
69.07057	25.4
69.45644	2.8
70.48131	3.3
71.04977	8.3
79.05478	67.5
81.03403	15.2
81.07044	100.0
83.04975	20.3
83.08611	28.7
85.02855	3.3
91.05470	63.2
93.07027	67.5
93.07585	5.5
95.04964	17.7
95.08590	57.4
97.06515	11.0
97.10161	31.7
98.20662	5.7
99.08063	4.5
105.07008	58.2
105.55389	2.8
107.04938	9.6
107.08577	52.7
107.09241	4.4
109.06536	6.3
109.10133	38.7
111.04442	13.3
111.08090	8.7
115.05447	3.9
115.14925	3.0
117.06992	24.5
119.08569	45.9
121.06509	8.6
121.10136	28.5
123.08062	6.5
123.11710	9.7
125.09621	28.4
128.06177	4.2
129.07004	10.3
131.08546	41.7
133.10103	46.4
133.25607	2.9
135.08028	8.1
135.11655	23.4
143.08533	13.5
145.06488	3.3
145.10092	35.9
147.08078	5.0
147.11641	24.6
149.09593	4.5
149.13240	11.1
151.11205	6.4
153.12766	6.6
155.08571	8.0
157.10091	14.7
159.07996	3.3
159.11679	21.6
161.13255	11.1
163.11162	12.9
169.10117	8.1
171.11673	12.2
173.09686	3.1
173.13187	16.5
175.11211	5.5
175.14838	7.2
181.10268	3.7
181.12210	9.6
183.11717	8.1
185.13266	8.2
187.14769	9.7
189.11101	16.3
191.10611	5.1
193.12206	4.2
196.26041	2.8
197.13213	6.5
199.14825	7.4
209.11734	5.0
211.13257	6.6
211.14989	3.3
227.12683	21.8
241.19534	8.3
243.21025	3.4
245.14029	4.5
259.20572	10.0
261.22125	11.2
267.15829	4.4
273.21964	3.1
275.20160	3.5
277.21655	4.3
283.15369	9.8
285.17102	5.3
297.21893	3.7
299.23645	15.1
301.21729	5.9
315.23187	6.2
317.21390	3.3
317.24673	11.4
333.24161	10.3
335.25760	10.2
359.96460	3.4
423.32175	5.6
433.30923	5.8
451.32092	17.3
463.30569	3.9
469.33051	16.2
487.34204	16.6
488.34372	3.6
515.37073	5.2
525.35596	23.4
543.36700	91.9
544.37213	3.3
552.70319	3.2
561.37634	63.1
562.38037	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	561.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.4
55.01862	13.4
55.05503	61.9
56.05811	2.5
57.03416	9.4
57.07055	4.1
65.03931	2.9
67.05495	100.0
69.03420	5.5
69.07056	28.6
69.62437	4.5
69.62853	11.3
71.04990	7.2
73.94423	1.7
79.05482	67.1
81.03394	13.7
81.07046	84.6
83.01343	2.1
83.04972	19.3
83.08600	26.5
85.02905	3.8
85.06517	4.4
91.05466	59.7
92.05848	2.0
93.07033	70.4
95.04949	18.4
95.07997	4.0
95.08591	59.6
96.08895	2.2
97.06514	10.6
97.10159	37.0
99.04433	1.9
99.08054	3.5
105.07017	48.9
107.04940	7.7
107.08575	48.3
109.06501	8.3
109.10139	31.2
111.04447	9.1
111.08079	9.7
111.11736	2.4
115.05442	3.3
117.07005	28.7
119.08568	41.0
121.06490	4.6
121.10120	31.5
123.08082	8.1
123.11687	11.5
125.09616	25.9
128.06252	3.5
129.06992	14.8
130.07797	2.5
131.08536	36.1
133.06480	5.1
133.10107	31.5
135.08064	8.2
135.11679	27.9
137.09589	5.6
137.13287	2.7
139.11183	2.1
141.06947	5.1
142.07671	2.2
143.08542	14.4
145.06509	4.2
145.10109	37.5
147.08049	5.8
147.11647	19.6
149.09624	7.8
149.13237	12.1
151.11197	2.1
153.09041	2.0
153.12738	9.0
155.08549	8.8
157.10101	13.2
159.08101	2.5
159.11681	20.3
161.09612	4.1
161.13269	12.9
163.11176	21.0
163.14812	3.3
165.12759	3.0
167.08542	2.0
168.09418	1.9
169.10156	8.5
171.11671	10.1
173.09618	3.4
173.11800	2.9
173.13219	14.6
175.11151	6.1
175.14822	4.0
177.12740	3.2
181.10123	5.0
181.12225	8.8
183.11674	9.6
185.13251	12.1
187.14771	8.7
189.11172	19.0
189.12663	3.0
189.16328	2.9
191.10677	6.0
193.10394	1.8
193.12271	7.2
195.11670	3.4
197.13264	7.2
199.14865	8.1
207.11786	2.9
209.11703	4.5
209.13414	3.9
211.13283	4.7
211.15051	3.0
223.14914	2.9
227.12730	41.9
227.14749	2.9
228.13210	2.0
233.15392	2.1
241.19597	2.7
243.21062	2.2
245.13799	4.5
257.18832	2.4
259.20526	5.0
261.22226	12.9
267.15903	3.9
269.17282	4.0
273.22003	2.6
275.20163	7.8
277.21661	4.0
283.15347	19.0
283.20480	4.0
285.16913	2.1
289.21585	2.2
293.21130	3.0
297.22067	2.6
299.23605	17.0
301.21585	8.0
315.23166	3.8
317.24554	11.1
319.22653	2.6
325.21744	2.6
327.23132	2.2
333.24234	4.0
335.25800	15.0
375.25369	2.9
415.29962	2.8
423.32291	2.8
433.31165	9.2
441.33731	2.2
451.31760	14.3
469.33032	15.8
487.34229	12.6
515.37305	4.5
525.35724	22.1
543.36737	99.4
544.37061	6.3
561.37793	63.8
562.38293	3.8
587.36365	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.5
55.01863	13.2
55.05235	4.4
55.05502	57.1
57.03431	7.1
57.07072	6.1
67.05495	89.9
69.03423	4.9
69.07057	26.4
70.55224	3.0
71.04982	4.8
71.08636	3.3
79.05484	59.6
81.03405	12.3
81.07040	85.2
83.04967	21.8
83.08611	37.8
83.74381	3.1
85.06516	3.0
91.05470	48.4
93.07032	67.3
95.04968	16.4
95.08591	65.0
97.06517	10.2
97.10160	33.1
98.21543	5.1
99.04416	2.9
105.07008	46.5
107.04925	8.3
107.08589	45.9
109.06505	7.5
109.10155	28.2
111.04419	12.1
111.08065	7.8
115.05421	3.1
117.06998	21.2
119.08567	42.2
121.06546	7.0
121.10129	25.6
123.08048	8.4
123.11694	10.6
125.09606	25.5
129.06999	14.5
131.08537	36.3
132.98129	3.4
133.06473	5.3
133.10118	26.9
134.51547	3.2
135.08061	7.4
135.11659	22.1
141.07036	5.3
143.08543	16.5
143.10612	3.8
145.10115	34.9
147.11673	18.6
149.09613	3.6
149.13264	9.4
153.09044	3.2
153.12766	7.8
155.08530	8.2
157.10085	17.4
159.11694	21.4
161.13254	10.0
163.11125	14.9
165.12767	4.1
169.10152	10.5
171.11674	13.0
173.09506	3.9
173.13205	16.2
175.14793	5.0
177.12656	5.6
181.10220	3.4
181.12216	10.7
183.11661	5.5
185.13274	5.8
187.14830	8.0
189.11247	16.5
189.12692	3.1
191.10628	4.3
195.11642	3.8
197.13275	6.6
199.14827	7.2
209.11754	7.4
211.13264	4.4
227.12737	45.6
241.19444	4.3
245.13843	3.8
259.20557	4.5
261.22137	14.4
267.15985	5.9
273.22012	3.4
277.21603	6.5
281.22696	5.7
281.40030	3.3
283.15295	18.7
283.48871	3.1
285.16989	3.9
299.23703	19.3
301.21640	8.3
315.23257	4.0
317.24744	13.0
333.24078	3.1
335.25778	10.6
423.32959	3.8
433.30884	7.0
451.32150	13.3
469.33127	20.7
487.34015	13.0
515.37183	5.0
525.35553	16.4
543.36749	100.0
544.36542	4.4
561.37842	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.1
55.01867	7.6
55.05505	60.1
57.03421	15.0
59.31173	4.1
60.09832	4.3
62.88193	4.3
67.05498	100.0
69.03416	6.3
69.07063	32.4
69.64836	38.1
71.04981	9.5
71.08618	4.5
77.10506	4.9
79.05486	65.9
81.03400	14.4
81.07045	86.2
83.04976	13.3
83.08616	31.9
91.05470	56.1
93.07032	70.9
95.04972	17.0
95.08591	62.6
97.06558	4.4
97.10168	34.6
105.07038	42.3
107.04974	9.8
107.08584	47.6
109.06512	5.9
109.10164	36.1
111.04437	7.3
111.08072	12.2
117.07004	19.7
119.08569	44.7
121.06493	7.9
121.10114	27.1
123.11723	6.0
125.09614	25.9
129.06993	15.3
131.08572	36.9
133.10150	29.5
135.07985	6.2
135.11676	23.0
141.06863	4.6
143.08531	12.7
145.06433	4.5
145.10103	28.2
147.11674	24.4
149.09576	5.6
149.13264	9.2
153.12811	4.3
155.08559	6.5
157.10098	12.7
159.11685	20.0
161.13235	14.7
163.11176	14.1
163.14807	5.0
171.11703	7.7
173.13202	12.4
175.11136	5.6
175.14789	7.7
181.12181	9.7
189.11221	17.9
191.10587	6.0
193.12212	8.5
197.13263	5.4
209.11543	4.6
227.12743	32.4
261.22147	17.4
264.80353	4.1
267.16010	4.5
275.19983	5.7
283.15381	17.2
293.21170	5.5
299.23636	18.0
301.21619	12.7
317.24661	13.8
333.24258	4.8
335.25729	15.1
350.80466	5.4
433.30826	6.2
451.32013	16.8
469.33075	19.8
487.34045	14.2
525.35620	21.8
543.36743	95.9
561.37885	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.8
55.01859	11.6
55.05503	51.5
57.03429	18.1
57.07059	6.5
59.04982	2.9
65.03923	4.6
67.05495	100.0
69.03418	6.4
69.07056	27.2
71.04968	9.1
71.08612	5.2
71.70450	3.6
72.18199	2.0
79.05480	77.9
81.03413	39.9
81.07045	80.2
83.04969	19.5
83.08612	30.3
85.02890	8.6
85.06549	6.4
91.05467	85.7
93.07029	72.8
94.07416	2.5
95.04950	25.8
95.08591	48.2
97.06519	13.7
97.10166	21.2
99.08072	6.4
103.05426	2.3
105.07012	80.3
107.04940	9.9
107.08577	56.6
109.06517	5.4
109.10132	34.2
111.04440	5.1
111.08064	10.9
115.05386	3.9
117.06997	33.6
119.08565	65.4
121.03925	2.1
121.06470	5.0
121.10113	32.2
123.08057	4.5
123.11672	8.3
125.09639	17.4
128.06206	9.0
129.07005	31.3
130.52753	2.4
131.08542	57.0
133.06496	5.1
133.10117	45.2
135.08005	8.5
135.11670	24.0
137.09615	2.8
141.06941	9.4
142.07756	5.9
143.08553	24.5
145.06491	2.7
145.10107	43.2
147.08029	6.8
147.11684	41.2
149.09592	10.0
149.13223	12.7
151.11130	3.6
153.12721	3.2
155.08536	12.1
157.10085	26.1
159.08058	3.7
159.11667	27.3
161.13202	22.6
163.11168	8.5
165.12720	4.1
167.04054	2.2
167.08534	7.3
169.10095	15.7
171.11664	27.0
173.11801	4.0
173.13229	18.9
175.09860	2.3
175.11101	11.4
175.14841	10.6
177.12675	4.4
179.14288	3.1
181.10092	7.3
181.12198	4.2
183.11710	12.2
185.13206	18.0
187.14780	8.8
189.11205	8.1
189.16342	4.4
191.14236	2.4
193.12215	30.3
195.11731	7.7
197.13200	8.3
199.14862	11.5
203.14348	3.2
209.13213	5.7
211.13216	34.6
213.16473	3.0
215.14195	2.5
223.14851	7.1
227.12704	9.4
229.14293	8.3
231.21124	5.2
241.19472	19.6
243.20872	3.4
259.20535	45.2
261.22189	3.7
267.15945	10.8
275.20081	6.6
277.21597	6.9
283.15302	4.1
283.20459	3.4
285.16873	20.3
297.22192	10.6
299.23715	8.5
301.21777	4.4
313.21646	3.3
315.23163	19.4
317.24908	3.7
333.20673	3.2
333.24258	30.7
357.23984	2.4
371.26071	2.9
379.25659	2.9
389.26813	6.1
415.30014	7.2
423.32510	4.2
433.31036	14.3
451.32056	14.7
469.33112	15.9
485.32578	2.6
487.33795	8.5
499.34418	2.7
507.34610	4.1
515.37323	3.4
517.35162	3.6
525.35706	32.0
543.36731	98.2
544.36908	5.6
561.29578	2.8
561.37805	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	561.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.2
55.01876	17.0
55.05504	53.1
57.03427	12.3
57.07068	4.0
65.03934	5.7
67.05499	95.9
69.03452	5.6
69.07060	36.6
71.04983	7.1
71.71061	3.2
71.71454	2.9
79.05484	78.8
81.03423	20.1
81.07046	100.0
82.03720	2.9
82.07374	4.7
83.04972	15.4
83.08610	25.8
85.02871	5.4
85.06516	6.0
91.05470	65.2
93.07037	69.0
95.04951	19.8
95.08597	56.0
96.14094	2.5
97.06511	17.0
97.10155	24.1
105.07020	64.0
106.07378	3.3
107.04945	9.4
107.08585	46.1
109.06512	13.9
109.10142	32.0
111.08109	7.5
115.05508	4.7
117.07004	26.1
118.07321	3.0
119.08566	54.8
119.50867	3.4
121.06496	8.6
121.10136	28.1
123.08075	7.6
123.11688	6.2
125.09616	12.6
128.06198	4.5
129.06990	21.6
131.08554	44.1
133.10121	34.0
134.10460	2.8
135.08049	11.5
135.11681	13.1
137.09601	8.0
139.11200	5.9
141.06961	5.3
142.07671	2.8
143.08585	16.3
145.06506	5.3
145.10123	34.6
147.08076	5.6
147.11687	22.5
149.09625	10.2
149.13226	11.2
151.11186	4.9
153.09160	3.8
155.08557	6.8
156.09312	3.1
157.10164	17.9
159.08051	5.5
159.11690	27.9
161.09589	6.5
161.13292	8.7
163.11131	8.2
163.14821	3.5
167.08453	3.4
169.10150	11.3
171.11621	14.5
173.09587	7.5
173.11874	4.1
173.13222	16.5
175.11108	6.8
175.14841	4.4
177.12813	5.4
181.10204	3.8
183.11696	13.2
185.09563	4.0
185.13214	15.7
187.11168	5.3
187.14822	6.9
189.11209	8.9
189.12727	3.8
193.12219	6.8
195.11708	4.2
195.13733	4.9
197.13252	8.2
199.14861	8.7
201.16338	3.5
207.11676	2.8
211.13274	9.2
211.14981	4.5
213.16550	2.9
225.16388	3.2
227.12775	5.7
251.16705	2.8
259.20471	6.6
261.21985	2.8
267.15918	3.0
269.17578	9.8
271.20636	6.6
275.20007	24.9
277.21710	3.4
285.16873	5.2
285.22134	7.2
289.21503	4.0
297.22095	3.1
299.23715	7.3
315.23224	5.5
333.24222	2.9
349.23926	8.9
433.31082	13.9
451.32025	24.0
469.33258	18.9
487.34189	10.6
525.35657	24.0
543.36816	97.6
544.36877	3.4
561.37805	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	561.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.9
55.01876	7.1
55.05504	35.2
57.07055	6.1
58.30377	4.3
64.00500	5.2
65.03936	5.6
67.05497	94.1
69.07061	26.7
69.30312	4.8
71.04974	41.2
71.08640	6.1
71.71117	5.9
73.61076	4.7
79.05486	65.5
81.03422	9.6
81.07045	100.0
83.04983	12.0
83.08614	20.0
85.06530	5.8
91.05469	64.8
93.07033	59.3
95.04951	20.1
95.08594	55.5
97.06525	14.8
97.10146	6.3
105.07029	37.9
107.04926	5.3
107.08575	34.7
109.06507	8.1
109.10129	22.3
117.06995	13.5
119.08587	25.7
119.43423	4.8
121.10117	25.4
123.11724	13.2
129.07013	4.9
131.08528	23.8
133.10106	30.0
135.11679	18.8
143.08507	7.3
145.10126	16.3
147.11673	16.1
149.13274	10.8
151.11185	13.8
157.10155	6.7
159.11662	7.3
161.13303	6.0
163.11179	6.6
171.11708	7.6
173.13290	6.3
183.13818	12.6
189.11238	5.6
194.90147	4.6
223.13306	6.5
235.13310	6.0
275.19965	6.1
281.17471	9.2
337.27396	14.7
517.38934	17.2
529.38635	14.7
543.39459	14.6
561.24640	42.5
561.41754	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88762	3.1
51.17570	3.2
53.03935	3.9
55.01862	5.9
55.05502	13.4
55.12364	3.3
56.05023	6.5
57.03426	14.0
57.07064	7.5
58.06587	5.0
60.04532	4.6
67.05492	16.1
69.03419	55.2
70.06587	8.4
71.04980	8.4
71.70386	5.8
73.02894	4.5
74.06073	20.1
79.05482	12.1
80.17333	4.0
81.03394	7.4
81.07039	23.5
83.04969	13.8
83.08601	6.5
84.04482	10.6
84.08124	18.6
85.02889	42.2
85.06554	5.3
86.06075	7.2
86.09702	11.6
87.04455	24.9
87.38904	3.4
91.05461	14.9
93.07036	17.6
95.04970	13.2
95.08604	8.6
96.04456	3.3
96.08125	15.6
97.02876	37.7
97.06507	5.3
99.04433	6.0
105.07007	17.8
105.65003	4.0
107.08588	28.9
108.08103	12.3
109.02865	6.6
109.06478	18.1
109.10156	24.5
110.06034	8.3
111.04440	8.2
111.08069	3.8
113.05962	3.9
114.05510	10.6
115.03904	20.1
117.07012	4.7
119.08582	12.2
121.10136	28.7
122.09651	3.6
123.08049	17.0
123.11733	5.9
124.11257	5.4
125.09649	5.5
126.05582	4.5
127.03928	8.1
128.07086	4.0
131.08553	11.3
133.04990	16.5
133.10091	21.4
135.04387	4.1
135.08043	10.9
135.11699	4.6
137.05951	3.4
145.02797	7.6
145.05025	4.2
145.06468	5.3
145.10094	7.0
147.04376	17.8
147.06482	3.6
147.11674	11.3
148.11201	9.6
149.09615	8.3
150.09222	3.6
151.07506	5.5
151.11185	9.7
153.09119	4.3
163.03865	24.2
163.11185	6.5
163.14716	4.6
164.07051	4.1
164.14383	8.1
165.12743	15.1
167.07011	4.0
167.14305	10.7
169.12119	3.8
171.11745	5.0
173.13271	14.7
174.07605	50.5
174.12772	6.6
182.11818	3.4
184.38374	3.5
186.07658	7.3
189.12683	8.1
191.14163	18.1
192.13876	6.1
194.11644	4.2
204.08635	18.8
206.04375	6.7
207.13805	11.7
208.16905	7.4
209.15338	56.7
232.17000	21.0
238.10707	14.4
250.17989	100.0
268.19064	39.1
283.54605	3.9
325.08746	4.8
336.12851	11.9
386.14597	3.4
412.22961	4.7
430.24493	25.1
465.85007	3.9
562.19678	22.6
562.28210	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29367	2.2
53.03931	2.5
55.01878	4.5
55.05505	16.7
57.03440	3.6
67.05497	19.3
69.03419	5.9
69.07066	16.8
71.04980	4.6
71.13567	2.8
79.05487	20.1
81.03400	11.2
81.07039	17.7
83.04985	2.5
83.08604	7.0
85.02878	2.8
91.05467	12.3
93.07031	17.1
95.04950	7.4
95.08590	9.6
97.02885	6.3
97.06515	4.6
97.10167	12.4
105.07008	15.4
107.04931	4.7
107.08572	9.1
109.06540	3.0
109.10128	8.9
111.08051	3.4
117.06995	5.1
119.08562	11.0
121.10130	4.4
123.08055	3.7
125.09627	8.8
131.08524	7.7
133.06508	2.7
133.10153	6.2
135.08073	5.0
145.10072	5.0
147.08070	4.9
149.09607	3.1
157.10106	2.7
175.11183	3.4
187.07646	2.6
189.11267	3.4
193.12184	6.8
223.13229	12.9
226.36464	2.4
227.12762	5.2
245.52188	3.1
249.14709	3.5
273.18506	10.8
285.16925	9.8
291.19507	100.0
292.19888	2.8
314.44006	2.3
328.98538	2.5
364.13141	2.7
365.23209	99.2
366.23431	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	562.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.4
55.01865	7.4
55.05498	12.1
57.03424	6.0
58.15394	1.4
61.02904	1.9
67.05497	33.3
68.68893	1.6
69.03408	3.9
69.07059	8.9
71.04979	3.8
71.71310	2.0
77.31231	1.3
79.05482	20.9
81.03403	5.3
81.07043	39.4
83.04985	6.6
83.08595	4.4
85.02886	3.5
85.06513	4.1
91.03983	1.5
91.05460	27.9
93.07028	22.7
94.07385	1.7
95.04954	6.5
95.08589	14.1
97.02879	2.5
97.06518	5.3
97.10143	2.8
99.04452	2.2
105.07004	26.8
106.07346	2.6
107.04957	5.7
107.08576	25.0
108.08934	1.7
109.02866	2.5
109.06512	6.4
109.10134	37.6
111.04461	2.0
111.08086	2.1
117.07013	4.6
119.08561	9.3
121.06457	3.2
121.10148	6.5
123.08023	1.8
123.11694	8.4
125.09589	2.1
129.06947	1.8
131.08524	9.1
133.06462	5.5
133.10107	46.7
135.08035	6.0
135.11679	4.4
143.08533	3.1
145.10074	4.9
147.08020	1.7
147.11642	3.1
149.09604	4.7
150.65450	1.5
151.11160	22.3
157.10078	2.5
159.07986	2.5
159.11687	3.4
161.09581	4.5
163.11244	1.7
169.12206	4.6
171.11627	2.1
173.09570	1.7
173.11781	1.8
173.13118	2.1
175.11159	3.1
177.06187	1.5
177.09006	2.6
185.13097	1.5
193.12213	1.6
194.30138	1.3
215.12567	2.6
227.18034	2.4
245.19025	3.7
251.12776	2.4
253.14319	100.0
255.17464	2.0
260.21091	1.6
263.20053	4.3
269.13678	2.5
271.15369	16.5
273.18423	14.9
285.16833	2.4
291.19519	17.2
321.24329	1.7
347.22116	4.4
365.23175	60.0
366.23520	1.5
411.86484	1.4
476.88055	1.4
544.36713	5.0
562.37592	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	562.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	7.8
55.05507	29.7
57.03421	20.8
67.05499	47.2
69.03401	14.6
69.07064	29.3
69.71784	8.0
69.72201	24.7
79.05479	40.6
81.03406	94.4
81.07044	49.3
83.04961	16.6
83.08612	30.7
85.02876	7.5
91.05488	37.3
93.07027	30.0
95.04970	38.2
95.08578	20.3
97.02880	12.1
97.06496	5.6
97.10149	19.0
105.07021	37.7
107.04933	11.2
107.08574	19.7
109.06472	8.6
109.10156	12.9
111.08042	11.9
117.06992	9.7
119.08574	24.6
121.06455	11.1
121.10145	13.5
123.08071	6.5
125.09610	20.0
129.06976	13.6
131.08534	16.6
133.06398	4.6
133.10132	14.6
135.11685	4.8
145.10143	7.2
147.07986	7.1
147.11700	14.0
149.09605	11.2
157.10081	18.2
159.11655	4.7
175.11218	12.2
189.11169	6.5
193.12204	39.7
193.84297	4.3
211.13274	21.2
223.13249	14.3
267.15854	79.3
273.18469	10.9
277.31342	4.3
285.16879	26.5
291.19492	100.0
349.21466	5.9
365.23227	99.8
367.22556	5.5
385.23642	9.1
433.25372	6.4
459.27466	43.0
477.28601	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	562.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.7
55.01848	6.1
55.05498	16.1
57.03437	14.7
59.04960	1.9
63.44180	2.0
67.05489	23.3
69.03398	3.9
69.07045	5.7
69.96387	12.2
71.04972	3.4
79.05477	25.7
81.03408	90.8
81.06613	2.2
81.07053	28.1
81.09436	2.2
81.09937	2.3
83.04987	12.3
83.08609	22.6
85.02882	9.8
85.06534	2.4
91.05464	30.7
92.84921	1.9
93.07039	16.4
95.04964	31.0
95.08583	16.2
97.02838	3.6
97.06563	1.8
97.10154	6.9
97.38742	1.7
100.46960	2.0
105.07017	20.6
107.04934	8.6
107.08596	11.7
109.02883	2.0
109.06497	7.4
109.10143	6.1
111.08054	8.0
113.05981	2.3
115.05436	2.8
115.64321	2.1
117.06980	4.4
118.84304	2.0
119.08570	25.4
121.06443	3.0
121.10142	12.2
125.09600	4.6
129.06981	12.0
131.08545	15.9
133.06471	4.3
133.10097	9.3
134.10498	2.7
135.08012	2.1
135.11655	4.0
142.07852	2.6
145.06494	3.3
145.10110	7.2
146.10550	2.2
147.07973	2.9
147.11644	12.5
149.09579	7.8
157.10078	13.9
159.11734	2.5
171.11671	2.7
173.13219	4.0
175.11137	10.5
176.15062	2.4
185.13260	3.4
187.14854	2.7
193.12225	36.1
203.17934	2.9
211.13258	22.0
229.14372	3.0
249.14890	4.1
267.15878	100.0
268.16187	2.3
273.14804	3.9
285.16971	24.2
349.21417	3.1
367.22784	12.3
385.23572	10.0
396.32333	2.0
403.24704	3.1
433.25671	8.6
441.26025	3.7
459.27438	46.8
477.28409	32.5
544.30554	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69558	4.0
53.03927	3.2
55.01854	10.0
55.05507	36.1
55.78259	3.2
57.03412	11.9
57.07059	4.5
58.92542	3.1
63.55681	3.2
65.03930	5.9
67.05495	100.0
69.03403	3.7
69.07058	32.5
69.64455	29.0
71.04971	9.5
79.05479	55.1
81.03417	21.8
81.07045	97.1
83.04951	14.0
83.08615	29.7
85.02876	7.9
85.06542	7.4
91.05469	51.7
93.06501	5.7
93.07037	73.0
95.04979	16.3
95.08599	80.0
97.06488	10.1
97.10151	18.9
99.08120	4.4
105.07005	49.4
107.04960	5.0
107.08570	51.6
109.06530	6.6
109.10144	39.9
111.04411	6.2
111.08055	12.4
115.05428	4.3
117.07008	19.6
119.08562	47.8
121.10139	31.7
123.08062	8.1
123.11671	14.1
125.09607	14.5
129.06987	15.3
131.08545	44.5
133.10100	33.5
135.07990	7.7
135.11662	24.1
141.06940	4.5
142.07799	6.9
143.08537	22.3
145.10120	31.9
147.07941	5.0
147.11639	24.5
149.09578	4.9
149.13225	20.9
155.08565	4.1
156.09377	3.7
157.10114	24.4
159.11729	18.9
161.13225	12.3
163.11151	9.3
165.12740	4.1
167.08467	3.7
169.10059	14.7
171.11635	13.3
173.13213	17.8
175.11105	7.7
175.14810	6.2
177.12804	3.9
179.08453	3.5
183.11664	10.0
185.13301	7.5
187.14781	9.4
189.11179	7.5
191.10594	4.0
193.12231	23.7
195.11661	6.5
197.13188	5.4
199.14818	7.2
207.11684	4.8
209.13350	6.5
211.13179	28.8
227.12727	10.3
229.14322	5.9
239.17987	3.5
243.15883	6.7
245.18999	3.7
251.18053	3.8
255.17326	3.7
261.22070	12.8
267.15738	3.6
279.23126	7.0
283.15106	4.4
285.16840	13.8
285.21921	5.4
299.23749	4.4
301.24942	3.5
303.23206	4.5
317.24551	4.1
335.25925	19.5
351.25323	3.8
359.25723	7.6
377.27106	3.4
433.28848	4.1
435.32526	11.8
453.28238	4.0
453.33685	14.9
471.34378	10.0
489.35266	4.8
527.37250	36.3
545.38330	73.5
563.39099	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69558	4.0
53.03927	3.2
55.01854	10.0
55.05507	36.1
55.78259	3.2
57.03412	11.9
57.07059	4.5
58.92542	3.1
63.55681	3.2
65.03930	5.9
67.05495	100.0
69.03403	3.7
69.07058	32.5
69.64455	29.0
71.04971	9.5
79.05479	55.1
81.03417	21.8
81.07045	97.1
83.04951	14.0
83.08615	29.7
85.02876	7.9
85.06542	7.4
91.05469	51.7
93.06501	5.7
93.07037	73.0
95.04979	16.3
95.08599	80.0
97.06488	10.1
97.10151	18.9
99.08120	4.4
105.07005	49.4
107.04960	5.0
107.08570	51.6
109.06530	6.6
109.10144	39.9
111.04411	6.2
111.08055	12.4
115.05428	4.3
117.07008	19.6
119.08562	47.8
121.10139	31.7
123.08062	8.1
123.11671	14.1
125.09607	14.5
129.06987	15.3
131.08545	44.5
133.10100	33.5
135.07990	7.7
135.11662	24.1
141.06940	4.5
142.07799	6.9
143.08537	22.3
145.10120	31.9
147.07941	5.0
147.11639	24.5
149.09578	4.9
149.13225	20.9
155.08565	4.1
156.09377	3.7
157.10114	24.4
159.11729	18.9
161.13225	12.3
163.11151	9.3
165.12740	4.1
167.08467	3.7
169.10059	14.7
171.11635	13.3
173.13213	17.8
175.11105	7.7
175.14810	6.2
177.12804	3.9
179.08453	3.5
183.11664	10.0
185.13301	7.5
187.14781	9.4
189.11179	7.5
191.10594	4.0
193.12231	23.7
195.11661	6.5
197.13188	5.4
199.14818	7.2
207.11684	4.8
209.13350	6.5
211.13179	28.8
227.12727	10.3
229.14322	5.9
239.17987	3.5
243.15883	6.7
245.18999	3.7
251.18053	3.8
255.17326	3.7
261.22070	12.8
267.15738	3.6
279.23126	7.0
283.15106	4.4
285.16840	13.8
285.21921	5.4
299.23749	4.4
301.24942	3.5
303.23206	4.5
317.24551	4.1
335.25925	19.5
351.25323	3.8
359.25723	7.6
377.27106	3.4
433.28848	4.1
435.32526	11.8
453.28238	4.0
453.33685	14.9
471.34378	10.0
489.35266	4.8
527.37250	36.3
545.38330	73.5
563.39099	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05588	5.3
53.03934	11.1
55.05501	55.1
57.03426	11.7
57.07049	8.8
62.36539	5.4
67.05491	79.3
67.42830	4.3
67.87725	4.2
69.07059	42.1
69.46508	31.1
69.46931	19.6
71.08635	5.9
79.05476	80.5
81.03412	10.9
81.07038	68.1
83.04951	12.6
83.08607	31.2
84.91364	4.5
85.15500	5.7
91.05466	61.7
93.07028	72.2
95.04954	25.9
95.08596	35.4
97.06478	6.4
97.10135	19.9
97.61616	5.7
105.07004	38.6
107.04856	6.2
107.08559	27.6
109.06485	7.3
109.10154	14.4
117.06965	6.1
119.08566	15.9
121.10105	16.6
126.42239	4.9
129.06953	13.8
133.10126	12.4
143.08521	12.7
147.11630	30.4
147.97722	4.6
161.13206	11.9
171.11644	30.2
189.12695	16.2
207.13751	39.2
247.24098	5.3
265.24789	5.4
281.17407	68.3
339.28873	73.3
404.20248	7.3
457.36542	6.3
475.21530	25.0
545.33942	6.2
545.42041	100.0
563.26416	59.1
563.42499	9.1
564.26190	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70987	0.2
55.05497	0.2
64.67268	0.2
67.05479	0.2
69.03426	0.2
71.70205	0.2
71.70596	0.2
81.03390	0.3
81.07021	0.4
91.05450	0.2
93.07019	0.2
95.08598	0.5
96.41607	0.2
100.82136	0.2
105.03362	0.5
105.06991	0.2
107.08605	0.2
117.07025	0.2
119.08527	0.3
132.04443	0.3
135.07884	0.2
135.11656	0.2
150.05481	0.8
160.03908	0.6
167.07069	0.3
178.04965	75.9
179.05341	1.1
184.07399	0.3
206.04456	100.0
207.04796	1.6
368.09717	9.8
369.10214	0.2
469.67227	0.2
546.23151	0.8
564.24341	11.9
565.24774	0.7
584.62134	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	564.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.6
53.29067	2.3
55.01854	9.2
55.05507	22.7
57.03426	19.2
57.07051	4.6
58.47127	2.6
61.02917	7.0
65.03911	5.4
67.05496	62.7
69.03413	8.8
69.07056	32.2
69.52408	24.7
71.04963	7.7
73.02898	4.0
79.05476	44.8
81.03397	12.4
81.06606	5.0
81.07046	77.3
83.04954	11.6
83.08598	19.8
85.02882	10.7
85.06518	5.9
91.05466	40.0
93.07033	60.5
95.04941	12.0
95.08582	31.5
97.02850	5.8
97.06516	20.3
97.10139	6.4
98.20679	5.8
99.04431	4.7
99.08081	5.4
103.03897	3.0
105.07014	32.7
107.04951	6.0
107.08582	39.6
109.06462	7.1
109.10150	17.3
111.08056	5.3
117.07005	14.3
119.08564	24.5
121.06494	3.9
121.10104	21.1
123.08069	6.3
125.09605	7.1
127.03883	5.2
129.06970	5.6
131.08548	21.7
133.06470	3.9
133.10081	23.6
135.08084	5.1
135.11650	25.2
137.09581	4.9
145.10133	21.0
147.11673	11.6
149.09596	10.4
149.13220	15.5
157.10062	5.2
159.11652	26.4
161.13228	8.5
163.11194	9.3
171.10187	3.5
171.11636	2.9
173.13254	7.5
177.12698	23.4
179.14301	10.8
189.11153	3.5
195.13806	7.0
197.13345	4.3
203.75874	3.6
227.12741	5.1
229.14334	4.8
239.17819	3.5
255.15868	50.7
257.18948	10.0
269.17441	100.0
275.20026	35.3
349.23694	79.7
367.24808	23.9
443.73981	3.4
592.22333	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	564.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	9.0
55.05506	23.9
57.03423	14.6
58.93334	4.7
61.02911	7.8
67.05497	72.0
69.03416	13.5
69.07061	31.3
71.04974	8.6
71.15744	8.4
71.77737	3.7
79.05485	47.3
81.03423	19.7
81.06600	6.6
81.07050	78.2
83.04967	13.8
83.08600	14.3
85.02888	13.8
85.06560	6.5
91.05474	35.5
93.07028	59.4
94.88310	4.0
95.04951	15.9
95.08596	35.7
95.44807	4.8
97.02870	9.0
97.06519	18.3
97.10152	7.6
99.04418	3.7
105.07035	31.5
107.04929	6.4
107.08582	44.3
109.02894	4.0
109.06506	4.9
109.10128	13.0
115.05514	4.9
117.06951	19.6
119.08578	27.6
121.10109	25.0
123.08032	5.2
123.11727	5.9
125.09611	12.6
129.07031	7.2
131.08568	23.2
133.10094	24.4
135.11700	23.3
137.09639	4.1
145.10107	20.4
147.11673	11.0
149.09598	10.8
149.13246	18.2
150.30362	3.7
157.10089	4.9
159.11719	28.6
161.13306	6.2
163.11185	10.1
169.10097	5.2
173.13272	10.0
177.12704	22.3
179.14284	11.4
200.52879	3.6
227.12807	9.1
239.18045	7.9
245.13921	4.9
255.15843	48.6
257.19031	17.5
269.17453	100.0
275.20004	47.8
349.23706	68.8
367.24786	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	564.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	4.5
55.01851	5.7
55.05506	35.4
57.03423	15.8
60.04506	18.6
61.02896	5.6
65.03899	4.7
67.05492	58.0
69.03406	9.3
69.07054	22.5
69.51405	40.4
71.04987	5.5
79.05479	49.1
81.03418	20.8
81.07040	59.8
83.04961	11.1
83.08600	21.3
85.02885	16.2
91.05463	37.8
93.07032	45.0
95.04923	9.6
95.08598	34.6
97.02901	6.2
97.06522	15.1
97.10145	37.1
105.06998	38.0
106.38176	3.9
107.04952	7.4
107.08571	65.3
109.06485	5.3
109.10133	16.0
111.04488	4.2
111.08083	9.9
111.40874	3.6
117.07000	9.7
119.08572	24.4
120.85043	4.1
121.06472	4.8
121.10117	16.7
123.08035	12.4
125.09614	34.0
131.08530	19.6
133.10110	29.8
135.07993	7.4
135.11671	12.2
137.09651	3.9
140.10672	14.3
143.08560	4.4
144.80496	3.8
145.10100	31.0
147.11665	12.8
149.09593	9.8
149.13193	5.7
159.11650	20.6
163.11180	9.7
171.11612	7.1
173.09772	5.1
173.13078	4.1
175.11172	3.9
177.12770	5.5
183.11646	5.7
184.07353	12.2
189.11127	21.3
193.12166	6.4
227.12762	40.7
239.17926	6.8
245.13835	17.5
255.15898	34.3
257.18958	27.7
263.27405	4.1
269.17419	40.9
275.20020	61.6
340.10483	4.5
349.23624	100.0
367.24634	24.4
422.25681	4.2
510.41409	8.9
528.42609	24.7
546.43567	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	564.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.4
55.01859	5.9
55.05499	12.9
56.13494	2.3
57.03430	13.9
57.07052	3.2
61.02917	4.3
61.78725	2.0
66.10052	2.2
67.05500	54.1
69.03418	7.1
69.07062	20.5
70.45914	6.1
70.46308	4.2
71.01326	2.7
71.04967	2.3
76.50081	2.0
79.05486	44.6
81.03400	9.5
81.07047	60.0
83.04954	6.9
83.08614	10.0
85.02893	9.4
85.06528	3.6
91.03957	3.1
91.05466	28.6
93.07034	54.1
95.04967	9.0
95.08594	28.5
97.02847	3.3
97.06523	15.0
97.10142	5.2
105.07021	23.4
107.04946	4.1
107.08585	32.5
109.06516	6.0
109.10166	10.4
111.08090	4.5
114.21287	2.3
117.07001	13.0
119.08595	21.1
121.06469	4.0
121.10138	16.4
123.08078	2.8
123.11646	4.9
125.09618	2.9
127.03864	3.0
129.07028	3.9
131.08540	14.8
133.10088	20.6
135.04385	2.7
135.08018	3.8
135.11670	20.8
137.09599	3.7
143.08589	3.8
145.10132	13.1
147.11670	11.9
149.09579	8.5
149.13252	15.3
157.10129	7.0
159.11690	23.1
161.13312	6.2
163.11131	5.8
169.10135	2.6
171.10106	2.5
173.13243	6.6
175.11136	2.6
177.12752	19.9
179.14275	9.7
181.12300	2.3
189.11183	2.3
195.13791	7.4
202.70038	2.3
229.14311	4.2
229.19435	2.6
233.15308	2.8
239.17976	5.2
251.16365	4.3
255.15921	48.1
257.18979	5.9
269.17459	100.0
275.20038	22.7
327.01227	2.2
349.23691	49.3
367.24796	9.4
413.22052	3.1
578.38239	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1179
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03936	2.0
55.01860	2.2
55.05494	0.3
57.03419	0.7
60.28238	0.2
61.02906	1.0
61.14773	0.2
63.11992	0.2
65.03932	0.3
67.05499	0.3
68.99773	0.9
69.03417	7.2
69.79539	1.3
70.06594	0.2
71.04979	0.7
73.02900	1.8
73.67130	0.2
80.30499	0.2
81.03401	9.4
81.07042	0.4
83.01292	0.3
83.04961	0.2
85.02890	12.4
87.00815	5.8
87.04444	0.3
90.02399	0.2
91.03931	0.7
91.05443	0.3
92.02612	1.0
92.07063	0.2
93.03400	0.9
93.07028	0.3
95.04905	0.2
95.08623	0.2
97.02879	4.6
99.04443	3.0
105.01850	3.3
105.07007	0.2
107.04939	0.3
107.08595	0.2
109.02860	7.8
111.08041	0.2
115.03888	0.2
117.01853	1.1
117.06949	0.2
121.02847	1.1
126.03129	0.3
127.03891	9.6
129.01820	0.8
131.04927	0.3
137.02350	0.3
137.05952	0.4
139.03868	1.0
145.04933	2.6
147.02864	0.5
147.04382	0.3
151.03882	0.7
153.01797	7.4
159.01617	0.3
159.02869	4.7
161.09666	0.2
163.03918	0.4
165.01836	0.6
167.07018	0.4
175.57394	0.2
177.05371	0.2
181.04964	0.2
183.02911	0.3
200.04716	0.2
201.05478	0.6
203.03392	0.6
213.03964	0.2
217.04916	0.6
218.05684	0.5
219.06258	0.2
228.04167	1.4
229.04910	3.0
231.02803	0.5
231.04971	1.2
245.04459	1.1
246.05232	2.0
256.03558	0.3
257.04382	1.8
260.03162	0.4
271.05927	0.3
273.03848	2.0
274.04675	4.4
284.03070	0.5
285.03897	4.3
287.05548	0.6
302.04160	13.0
317.06503	100.0
318.06873	1.7
359.07553	0.4
369.65997	0.2
433.95166	0.2
565.21582	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.01866	48.6
57.03423	1.8
61.02909	1.8
65.03926	4.5
67.05481	2.5
68.99800	1.0
69.03423	8.9
69.07040	0.9
70.05052	2.4
70.05465	1.9
70.06569	1.3
71.04974	1.1
73.02873	1.8
79.05481	2.5
81.03396	2.4
81.07034	0.9
82.04173	1.5
85.02896	12.7
87.04446	1.7
91.05486	4.7
93.03394	1.1
93.07036	1.6
94.04182	2.8
95.04957	4.5
95.08607	1.5
96.29517	0.8
97.02876	9.1
97.06503	1.1
99.04421	1.5
103.05450	18.0
105.07014	2.7
107.04959	6.8
109.02859	2.5
109.06491	1.1
110.03651	2.4
111.04439	3.0
112.49197	0.8
115.03934	1.0
115.05425	4.1
116.06242	1.0
117.03381	0.7
117.07005	4.7
119.04948	2.5
121.02859	1.0
121.06478	5.2
121.10090	0.8
122.03634	7.3
123.04364	3.6
123.08051	0.9
124.05190	1.2
125.05978	4.8
127.03881	3.0
129.05254	0.8
131.04909	39.9
133.06487	4.4
135.04401	1.0
135.08011	2.1
137.05959	100.0
138.03073	1.2
139.03903	0.9
140.04642	1.5
142.02577	1.4
143.04904	1.1
145.06477	12.1
147.04428	4.2
148.05022	0.8
149.05971	4.8
151.03893	20.4
151.05008	1.4
151.07507	1.4
153.05434	3.9
155.06009	2.0
155.07056	2.6
159.04424	5.5
160.05128	1.3
161.05952	6.7
163.03839	2.6
163.07533	18.1
164.04393	0.8
167.07024	37.0
171.06516	3.4
172.05235	1.6
173.05972	11.1
175.03917	3.3
175.07581	2.1
176.04739	2.0
177.05450	14.8
179.06998	5.3
181.04938	74.0
183.06476	1.9
189.05429	5.2
190.06242	1.3
191.07016	23.6
192.07706	1.2
193.04944	1.5
193.08682	1.1
194.05716	5.7
195.10162	1.0
196.07312	1.9
201.05348	1.6
203.06975	1.5
205.08603	6.2
206.05765	1.3
207.06471	7.8
207.08080	1.0
207.13760	0.8
208.07292	5.0
209.08086	9.0
219.06503	14.7
221.08034	10.5
221.10059	1.1
222.08876	2.2
223.06010	2.4
223.09599	9.9
233.08092	12.0
234.08330	0.9
235.07497	1.2
236.06540	1.1
241.14267	0.9
249.07622	2.3
251.09123	70.3
289.10678	28.6
317.06525	1.1
327.12369	1.7
329.10452	0.8
343.11835	1.4
355.11475	0.9
373.12753	10.8
376.83609	0.8
385.12781	3.5
403.13840	57.2
535.17444	1.4
565.19067	72.9
566.19397	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.01855	7.2
55.05510	13.5
57.03402	2.2
57.07055	4.7
67.05498	41.5
69.03407	9.9
69.07058	18.5
69.15784	2.2
70.95871	2.2
71.04985	24.9
71.70346	3.5
72.08152	2.7
79.05480	24.5
80.02866	2.2
81.03399	9.0
81.07041	43.6
83.04989	5.3
83.08618	5.9
84.08167	2.4
84.51662	2.1
85.02892	20.8
85.06526	34.0
86.09671	3.3
87.00787	4.2
91.05467	24.8
91.25903	2.5
93.07027	27.1
95.04948	5.2
95.08593	100.0
97.02864	8.7
97.06506	14.0
97.10152	3.1
99.08080	4.4
103.05460	4.7
105.06995	18.2
105.37354	2.4
107.04926	4.3
107.08585	22.3
109.02854	7.3
109.09534	2.3
109.10151	18.3
110.89428	2.3
111.08067	6.6
113.09635	39.3
117.06984	6.7
119.04921	3.2
119.08551	13.5
120.08022	2.2
121.02848	5.6
121.10120	25.2
123.11668	10.4
125.09665	3.4
127.03880	8.8
131.04893	7.4
131.08542	4.3
133.02821	3.3
133.10080	13.5
135.11679	20.2
137.05969	14.6
137.13219	3.4
139.11169	6.1
143.08588	3.1
145.02893	3.5
145.04829	2.9
145.06430	3.1
145.10103	5.0
147.04401	9.3
147.11688	7.3
149.05966	3.9
149.13200	9.7
151.03926	3.9
151.07468	3.8
151.11162	2.9
157.10107	4.5
159.11710	3.9
161.06004	4.2
161.09709	2.8
161.13234	8.1
163.03917	4.0
163.07492	2.7
163.14783	6.5
167.06998	18.1
173.13365	2.9
175.07503	2.9
175.14853	5.5
177.05449	9.4
181.04936	8.0
184.07309	8.1
189.16386	10.3
191.07071	3.7
197.15172	2.4
207.17329	2.8
210.84100	2.2
245.22656	5.4
251.09155	2.8
263.23666	13.0
271.05893	3.5
281.24728	61.0
293.40323	3.0
299.25818	7.8
317.26849	3.3
351.15640	2.6
385.16275	2.9
443.32169	2.7
565.21136	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	565.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.01855	7.2
55.05510	13.5
57.03402	2.2
57.07055	4.7
67.05498	41.5
69.03407	9.9
69.07058	18.5
69.15784	2.2
70.95871	2.2
71.04985	24.9
71.70346	3.5
72.08152	2.7
79.05480	24.5
80.02866	2.2
81.03399	9.0
81.07041	43.6
83.04989	5.3
83.08618	5.9
84.08167	2.4
84.51662	2.1
85.02892	20.8
85.06526	34.0
86.09671	3.3
87.00787	4.2
91.05467	24.8
91.25903	2.5
93.07027	27.1
95.04948	5.2
95.08593	100.0
97.02864	8.7
97.06506	14.0
97.10152	3.1
99.08080	4.4
103.05460	4.7
105.06995	18.2
105.37354	2.4
107.04926	4.3
107.08585	22.3
109.02854	7.3
109.09534	2.3
109.10151	18.3
110.89428	2.3
111.08067	6.6
113.09635	39.3
117.06984	6.7
119.04921	3.2
119.08551	13.5
120.08022	2.2
121.02848	5.6
121.10120	25.2
123.11668	10.4
125.09665	3.4
127.03880	8.8
131.04893	7.4
131.08542	4.3
133.02821	3.3
133.10080	13.5
135.11679	20.2
137.05969	14.6
137.13219	3.4
139.11169	6.1
143.08588	3.1
145.02893	3.5
145.04829	2.9
145.06430	3.1
145.10103	5.0
147.04401	9.3
147.11688	7.3
149.05966	3.9
149.13200	9.7
151.03926	3.9
151.07468	3.8
151.11162	2.9
157.10107	4.5
159.11710	3.9
161.06004	4.2
161.09709	2.8
161.13234	8.1
163.03917	4.0
163.07492	2.7
163.14783	6.5
167.06998	18.1
173.13365	2.9
175.07503	2.9
175.14853	5.5
177.05449	9.4
181.04936	8.0
184.07309	8.1
189.16386	10.3
191.07071	3.7
197.15172	2.4
207.17329	2.8
210.84100	2.2
245.22656	5.4
251.09155	2.8
263.23666	13.0
271.05893	3.5
281.24728	61.0
293.40323	3.0
299.25818	7.8
317.26849	3.3
351.15640	2.6
385.16275	2.9
443.32169	2.7
565.21136	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	565.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99772	3.4
55.05494	15.8
55.79565	3.3
56.96950	3.5
57.07061	9.8
62.40044	3.6
67.05497	29.6
69.03394	4.6
69.07074	23.8
69.56802	29.0
79.05478	23.1
81.07041	42.9
83.01347	3.3
83.08608	10.1
91.05463	40.3
93.07020	49.0
95.04961	6.2
95.08604	37.7
103.05444	6.1
105.07013	82.4
107.07904	5.0
107.08578	53.5
108.78979	3.6
109.06470	5.5
109.10128	50.7
115.05437	4.4
117.06999	16.5
117.94549	3.2
119.08562	100.0
121.10128	73.5
123.08008	4.4
123.11684	16.3
128.06175	12.5
129.06969	14.5
130.07747	8.7
131.08546	39.6
132.45880	3.5
133.06458	6.9
133.10103	49.5
135.08061	8.0
135.11668	32.5
136.52252	3.8
137.09573	5.5
141.06958	8.1
142.07843	19.9
143.08559	45.5
144.09329	6.2
145.10103	93.5
145.26549	4.1
147.08026	4.0
147.11671	17.0
149.09526	5.9
149.13208	4.0
153.06967	6.8
155.08528	20.9
156.09303	15.6
157.10118	59.1
158.10829	4.9
159.07990	16.7
159.11673	28.7
161.09604	6.5
161.13181	11.0
165.06967	6.2
165.14667	4.2
167.08571	8.7
167.10670	24.6
168.09314	5.1
169.10085	27.9
170.10892	5.8
171.11699	21.7
172.12274	3.9
173.09631	6.1
173.13182	21.7
174.10547	4.1
175.11101	4.6
175.14822	26.5
179.08478	10.1
180.09344	7.7
181.10031	26.8
182.10901	17.0
183.11693	20.5
185.09605	4.1
185.13239	9.6
187.14787	14.0
189.12723	7.4
189.16208	4.5
193.10107	16.7
194.10893	10.5
195.11665	27.6
196.12354	5.9
197.13278	33.2
199.11096	7.8
199.14766	7.2
201.16383	5.5
207.11713	18.1
208.12396	6.7
208.66383	3.9
209.13254	22.3
211.14813	11.7
213.12767	5.3
213.16258	6.7
215.14203	7.1
217.10071	3.9
219.11617	7.8
221.13229	11.1
222.13962	3.8
223.14832	21.9
224.15234	3.9
225.12682	8.8
225.16374	5.0
233.13268	7.0
233.15326	63.7
235.14792	8.6
236.60463	3.5
237.16316	9.0
244.86632	3.5
247.14789	6.7
249.16243	7.9
251.17906	5.7
253.19420	5.4
259.14624	4.5
261.16403	9.0
267.21069	10.7
273.18436	14.2
275.18140	6.4
287.17523	3.9
289.19550	4.7
299.20053	25.7
311.19919	12.7
331.23575	4.1
337.21500	4.8
345.25748	27.5
363.22995	7.7
376.28873	4.1
378.32516	4.1
425.28296	5.9
443.29343	21.1
473.34186	4.6
509.34119	4.3
547.39575	5.8
565.40350	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	13.9
57.07045	10.2
58.27641	3.7
61.81879	3.5
65.03915	4.1
67.05498	34.2
69.07069	23.9
71.71828	6.3
71.72186	4.3
74.68307	3.2
79.05470	16.2
81.07040	38.0
82.32003	3.3
83.08612	6.9
89.88001	3.3
91.05463	31.3
93.06607	3.9
93.07044	38.1
95.04941	7.2
95.08587	37.9
100.01232	3.6
103.05390	4.0
105.07012	58.3
107.08584	37.3
109.06489	10.3
109.10137	47.8
115.05391	4.7
117.06982	15.7
117.90536	3.7
119.08561	100.0
120.90578	3.8
121.10121	61.4
123.11668	15.4
128.06195	10.4
129.07004	11.7
130.07745	5.6
131.08537	39.4
133.10098	47.8
135.11670	41.3
141.06998	7.7
142.07799	19.6
143.08536	34.0
143.09561	6.0
145.10106	44.6
147.11682	18.2
149.09570	5.5
149.13206	5.1
155.08519	13.3
156.09340	7.3
157.10104	55.9
158.10881	5.0
159.08067	4.6
159.11658	26.7
161.13252	8.5
165.06937	6.2
167.08522	11.4
167.10658	10.7
168.09309	5.6
169.10115	25.8
170.10904	5.1
170.53540	3.9
171.11647	22.1
173.09567	7.4
173.13251	18.6
175.11226	6.5
175.14766	34.8
179.08524	9.4
180.09314	6.5
181.10107	14.7
182.10866	7.5
183.11679	22.1
185.13202	7.9
187.14758	11.4
192.09314	6.3
193.10030	12.1
194.10793	4.4
195.11693	20.5
196.12483	8.5
197.13252	26.9
197.18330	3.9
199.11137	7.9
199.14810	4.8
201.12566	4.3
201.16295	7.7
206.10976	5.0
207.11610	6.3
208.12468	10.2
209.13231	13.5
211.14793	11.4
213.16386	8.9
215.14412	4.8
219.11551	4.8
221.13246	5.3
223.14745	17.9
225.12822	8.1
226.50726	3.6
231.11581	4.8
233.13174	6.4
235.14740	6.3
237.16493	3.6
239.17795	5.6
241.15717	5.1
247.14774	7.2
249.16180	5.9
253.19484	5.2
272.40402	3.7
273.18503	41.1
277.19482	5.0
279.20969	7.4
299.20065	45.4
313.21609	4.4
325.21338	8.2
348.89743	3.7
359.23624	4.8
375.23642	5.8
467.37027	7.0
473.33945	9.5
510.80484	4.5
533.84613	4.1
565.40222	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.4
55.05501	23.9
57.03431	11.1
57.07069	38.1
65.03912	4.8
67.05495	55.8
69.03402	5.0
69.07066	18.5
71.08623	26.8
71.62779	7.6
74.59701	3.8
79.05479	39.7
81.03404	32.1
81.07047	42.4
83.04966	7.5
83.08595	20.1
85.10165	14.7
91.05465	35.9
93.07030	38.8
94.31851	3.9
95.04956	79.2
95.08591	40.6
97.06473	3.5
97.10162	10.2
103.05442	5.1
105.07021	50.4
107.04929	15.5
107.08575	30.1
109.02875	18.6
109.06476	8.4
109.10146	24.7
111.04414	4.1
111.08077	3.6
117.06963	15.5
119.08560	45.7
121.06474	7.6
121.10130	33.8
123.04411	85.1
123.08038	6.6
123.11713	8.2
123.95658	3.5
125.09628	5.1
127.96558	3.8
128.06200	7.9
129.06990	15.4
130.07768	7.4
131.08569	22.4
133.06479	5.2
133.10100	26.9
135.08003	7.9
135.11668	22.5
137.06021	4.3
137.09552	4.5
141.07002	3.7
142.07718	4.4
143.08537	21.2
145.10065	33.4
147.08046	12.0
147.11684	10.9
149.05928	5.2
149.09561	5.1
153.09079	6.4
155.08531	5.2
156.09315	5.2
157.10126	19.7
159.11670	10.7
161.13293	5.5
163.11148	17.4
165.09065	7.5
167.08411	3.8
167.10689	6.5
169.10120	12.2
170.10820	5.6
171.11653	23.2
173.09627	11.2
173.13272	12.1
175.14830	5.6
181.10049	10.7
183.11707	9.4
185.13243	9.8
187.14832	6.2
189.12726	16.3
191.10603	6.9
193.10089	9.8
194.10802	4.1
195.11690	9.5
197.13261	10.4
199.11131	3.9
203.14275	4.1
207.11694	9.9
207.13782	15.4
209.13199	13.3
211.14833	5.9
217.12207	11.9
221.13248	9.1
221.15347	12.0
223.14771	8.8
233.15361	6.9
235.13211	98.4
236.13547	4.1
237.16365	4.5
237.31772	3.4
239.17879	5.5
239.23669	5.7
245.13254	3.7
247.14778	5.9
251.17836	3.5
261.16479	4.0
309.16928	65.8
313.27289	100.0
437.46753	3.7
473.34045	4.3
497.37906	3.4
538.98401	4.8
547.39862	63.5
565.40338	63.1
566.24695	6.1
566.40588	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	566.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.4
55.01852	1.2
55.05500	3.0
57.03425	1.9
61.02911	2.3
67.05499	8.7
69.03422	4.2
69.07056	3.8
70.06591	1.4
71.04977	4.0
71.70979	1.3
74.06018	0.7
77.03939	0.8
79.05082	1.0
79.05481	6.6
79.52963	0.8
81.03404	2.7
81.07043	15.8
83.08604	2.4
85.02892	16.7
85.06531	100.0
86.09679	2.2
91.05481	6.3
92.07098	1.4
93.07021	12.3
95.08591	22.8
96.08945	1.0
97.02875	4.0
97.06518	7.3
97.10168	1.5
99.08076	7.5
103.27471	0.8
104.10735	1.1
105.07018	12.6
107.08582	15.6
109.02843	1.9
109.10129	7.1
111.08047	3.8
112.89529	0.8
119.04906	1.2
119.08561	6.7
121.10112	5.1
122.14294	0.8
123.11697	1.7
125.09622	8.5
127.03903	3.5
133.10098	8.2
135.11636	1.9
136.07545	1.6
137.05963	3.6
139.11110	1.0
145.04935	2.8
145.10144	1.2
147.04401	3.9
147.11658	5.8
151.11172	1.2
161.13260	7.1
163.14783	6.3
165.05428	0.8
167.07106	0.9
177.05402	1.4
183.18358	0.8
184.07349	2.7
189.16351	29.7
191.17966	0.8
207.17436	21.2
225.18471	13.2
259.09491	0.7
368.27725	1.7
530.60834	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.01860	1.3
55.05511	5.7
57.03430	1.7
61.02903	1.6
67.05496	11.4
69.03433	5.8
69.07062	7.1
69.94093	0.7
70.74783	2.5
71.04986	4.7
75.70731	0.8
79.05492	8.7
81.03415	2.3
81.07047	21.5
82.07373	1.3
83.05003	1.0
83.08607	4.8
85.02897	15.5
85.06536	100.0
86.09693	2.8
91.03951	1.1
91.05473	6.8
91.31032	0.9
93.07027	14.4
94.07335	0.9
95.04957	1.4
95.08598	31.6
95.09204	1.9
96.08941	1.8
96.45405	0.8
97.02885	4.7
97.06516	7.4
97.10152	1.3
99.04441	1.0
99.08099	8.2
100.11256	1.7
104.10725	1.8
105.07012	11.5
107.04919	1.0
107.08578	21.2
109.02864	2.4
109.06525	1.4
109.10145	10.1
111.08061	5.9
113.09621	3.2
119.08568	7.5
121.10135	6.5
123.11695	2.6
125.00035	1.2
125.09627	8.9
125.19800	0.8
127.03906	4.5
131.08577	1.0
133.02791	0.9
133.10127	9.3
135.11658	2.6
137.05943	1.6
145.04951	3.8
145.10138	0.9
147.04439	2.0
147.11700	7.4
149.13255	1.9
151.11125	1.1
159.11647	0.9
161.13260	7.1
163.14781	8.3
164.04353	0.8
167.06932	0.8
181.04973	1.1
184.07329	7.5
189.16364	29.0
199.10951	0.9
207.17426	19.0
225.18488	14.0
249.93581	0.8
264.24030	0.8
281.24774	2.6
282.25067	3.6
292.23630	0.9
512.39020	1.1
517.17145	0.9
557.42474	1.0
566.21191	1.3
566.30334	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.7
55.01861	1.5
55.05505	5.4
57.03429	1.7
60.08171	0.8
61.02923	2.1
67.05501	11.0
68.05829	0.7
69.03416	3.0
69.07066	5.6
70.06575	0.9
71.04983	5.2
71.07340	0.9
79.05479	8.4
81.03403	2.2
81.07040	19.9
83.04967	1.2
83.08606	4.2
85.02389	1.1
85.02894	15.3
85.06532	100.0
86.09688	4.1
91.05455	6.7
93.07040	11.8
95.04942	1.2
95.08595	26.4
96.08944	0.9
96.59210	0.7
97.02878	4.4
97.06514	6.1
97.10142	1.5
99.04437	1.6
99.08082	7.9
100.11238	4.7
103.05426	0.8
104.10769	1.6
105.07015	10.6
107.04962	0.8
107.08588	17.8
107.09328	0.9
109.02869	1.8
109.10143	8.5
111.04445	0.8
111.08078	5.1
113.09660	1.9
119.08566	6.3
120.08002	0.9
121.10133	5.1
123.08060	0.9
123.11699	1.7
125.00003	2.5
125.09605	8.2
127.03893	3.4
131.04887	0.9
131.08566	1.3
133.10123	9.3
135.11678	2.4
137.05975	1.7
137.09564	1.2
145.02869	1.0
145.04964	3.5
145.10074	0.9
147.04465	1.7
147.11667	6.1
149.13235	1.6
151.11192	1.6
159.11644	0.7
161.13269	6.6
163.03903	1.0
163.05957	1.7
163.14778	7.7
167.07021	1.8
175.03894	0.8
177.05455	2.3
182.15417	2.9
184.07314	10.6
189.16357	29.1
190.16681	0.8
206.04391	0.9
207.17429	21.7
209.16475	1.6
210.14873	2.8
225.18442	12.9
281.24899	1.3
282.24942	2.0
319.39035	1.0
389.81461	0.8
502.89603	1.4
531.28955	0.8
566.20673	1.0
566.42023	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10678	1.8
71.68906	4.8
91.21162	1.9
116.98579	4.3
119.77342	2.1
134.99632	4.1
156.53848	2.0
177.00980	2.6
222.97806	2.1
232.96478	3.4
234.96477	2.9
234.99881	6.2
245.62195	2.4
250.97737	3.2
253.01065	2.4
256.96881	3.1
258.97116	3.3
258.99979	23.2
260.00128	5.9
260.99905	3.7
261.02975	2.8
261.22385	2.0
264.98895	3.1
274.97742	14.0
275.97687	5.7
276.97574	11.3
277.01007	27.4
278.01068	4.9
279.00760	5.8
282.99988	50.8
284.00064	8.1
284.99753	6.5
294.98419	5.7
298.97696	11.0
299.98102	2.6
300.97650	7.9
301.00967	100.0
302.01184	11.1
303.00836	14.4
316.95566	4.1
316.98798	20.9
317.98959	8.0
318.98590	14.2
319.02002	4.7
324.02496	4.4
358.96896	6.5
360.99951	4.6
401.01004	9.2
402.01334	4.5
403.01147	8.9
404.01190	6.3
406.99860	2.5
416.98892	2.7
417.99228	3.0
418.98688	8.9
425.01437	15.8
440.99176	3.7
441.98892	2.7
443.02859	49.5
444.02518	4.6
445.01825	6.3
458.99493	3.5
459.99890	3.5
460.99701	18.5
466.03622	6.0
485.00540	2.4
500.98215	3.9
524.99652	7.3
543.00745	12.4
544.00275	2.6
549.01300	23.2
567.02527	52.6
568.02222	4.1
585.00000	21.6
590.03308	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	567.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
55.01863	0.6
55.05493	0.8
56.05025	7.9
61.01140	7.5
67.05480	1.5
69.03413	1.2
69.07047	0.9
69.97274	2.1
70.02936	0.9
71.04982	1.0
72.00327	0.3
76.59238	0.4
79.05502	0.9
81.03406	0.9
81.07033	1.7
82.31541	0.4
83.04998	0.6
83.08581	0.4
84.08122	0.5
84.92104	0.3
85.02907	1.9
85.06518	0.4
86.09708	3.5
88.03982	8.5
91.05454	2.7
93.07037	2.6
93.88451	0.4
95.04966	0.8
95.08594	1.3
97.02886	0.6
97.06518	1.1
97.10204	0.5
98.06045	6.6
100.11222	0.8
102.50749	0.4
103.05456	4.0
104.05314	19.7
105.07026	1.1
107.04937	0.9
107.08536	0.9
109.10160	0.8
113.20224	0.4
119.07387	0.6
119.08553	0.5
120.08089	100.0
121.08412	0.5
121.10128	0.6
124.74740	0.4
127.03906	0.7
129.07050	0.5
130.06494	3.3
131.04903	1.0
132.10178	0.8
133.10182	0.5
137.05962	1.6
144.08067	0.7
145.06509	0.4
145.10152	0.6
146.06326	14.5
147.04367	0.6
149.06023	0.5
150.81850	0.4
161.05920	0.5
163.03947	0.6
167.07001	1.0
172.07561	1.5
174.05830	15.3
175.08678	2.9
177.05406	0.8
181.04982	0.8
181.06497	0.4
184.07304	0.4
189.08890	0.6
190.08612	1.6
191.07047	0.5
200.07059	0.9
209.08023	0.6
210.14958	0.5
211.07489	0.5
215.07001	0.7
217.09732	1.4
218.08134	0.5
233.16550	0.6
234.46193	0.4
235.10765	15.3
245.09106	0.5
247.07339	0.4
259.09647	1.4
263.07550	0.7
263.10236	5.3
271.07492	0.6
279.17044	6.8
283.26331	0.7
289.08493	13.0
330.18146	0.6
400.13547	0.4
408.15842	1.5
436.15497	0.8
567.29431	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	568.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81722	1.8
53.03933	2.7
54.61678	1.8
55.05532	2.0
57.03413	2.4
60.53630	1.8
69.03412	9.6
71.70021	2.3
79.05473	4.9
81.03427	11.2
81.07057	3.9
85.02885	18.4
87.00867	2.0
87.38835	2.1
89.07156	2.6
91.05450	3.6
93.07030	8.2
93.19791	1.6
94.04185	2.6
95.04959	4.7
97.02874	10.2
102.47704	2.6
103.05471	3.9
105.01851	4.4
105.07017	4.1
107.04937	8.1
107.08578	8.6
109.51215	1.9
111.04391	2.5
115.03915	3.1
115.05453	10.7
117.07001	12.5
119.08595	2.4
121.10081	3.4
122.03614	2.9
123.04411	4.5
127.03880	7.8
129.06993	8.4
131.04918	5.0
131.08549	5.4
133.06535	2.2
135.11681	8.0
137.05954	85.0
143.04898	6.1
144.05676	4.7
145.04965	8.6
145.06435	25.5
153.05464	4.4
156.05705	2.6
157.06474	7.5
159.08061	5.0
160.05159	13.5
161.06004	6.5
163.07504	2.8
167.07031	34.6
172.05113	2.5
173.05951	35.7
174.06746	2.3
175.07526	99.2
177.05403	5.3
180.08592	3.1
187.07515	41.6
189.09048	8.7
190.06238	16.3
191.07062	4.4
193.08466	2.3
202.06161	2.9
203.07027	7.9
205.08559	100.0
217.08554	43.3
219.10193	3.1
231.08130	2.2
233.09698	2.1
235.09616	51.1
241.08794	3.0
247.09648	8.4
249.09019	3.1
261.09058	5.3
265.10663	34.7
277.08566	3.9
278.09424	2.5
285.07565	5.1
293.11627	4.3
300.09924	8.5
301.10745	5.5
306.08765	2.5
309.11169	5.4
321.11230	5.8
326.11734	2.3
332.08395	3.2
341.13651	10.8
345.25598	1.9
353.13815	20.3
371.14926	28.3
406.11862	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	568.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.4
53.69095	2.0
69.03405	8.0
69.11675	2.3
71.70076	2.6
71.70455	2.5
79.05481	6.1
81.03401	9.0
85.02896	16.5
91.05486	5.9
93.07052	8.3
95.04971	3.8
95.08614	3.1
97.02879	9.9
103.05478	2.9
104.10797	2.3
105.01855	4.6
105.07040	2.9
107.04939	7.7
107.08593	7.7
115.05461	8.4
117.07011	12.1
122.03587	4.2
123.04421	3.0
127.03887	5.7
129.06975	5.7
131.04930	6.0
131.08476	2.4
135.11649	7.7
137.05951	74.1
143.04893	7.6
144.05669	5.1
145.04984	5.7
145.06464	24.9
147.08049	3.6
156.05701	5.0
157.06450	8.0
159.08070	6.7
160.05206	10.8
161.06004	4.2
167.07031	36.3
172.05096	2.7
173.05948	43.6
174.06895	2.7
175.07526	100.0
187.07513	34.7
189.09105	4.6
190.06230	18.2
192.87411	2.4
202.06227	4.1
203.06981	4.0
205.08577	81.2
217.08586	34.0
219.10088	2.6
229.54398	2.4
235.09605	44.3
239.44374	2.5
247.09737	7.1
249.09100	5.1
261.09079	3.5
265.10712	33.0
277.08490	3.4
285.07504	5.8
293.11621	4.0
300.09833	7.5
301.10519	2.6
309.11243	5.1
313.10706	2.7
321.11285	5.1
341.13702	7.9
353.13797	18.1
371.14694	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.0
55.32064	1.5
57.03424	3.5
57.07048	1.8
59.04983	2.2
60.11377	1.7
65.03913	2.0
67.05493	10.3
69.03416	7.9
69.07050	6.1
70.06572	1.9
70.79131	4.0
71.04982	6.0
73.02942	2.2
79.05493	9.2
81.03396	3.9
81.07049	20.2
83.04965	14.5
83.08616	8.6
85.02888	22.7
85.06541	2.9
87.04434	3.4
91.05466	11.3
93.07030	17.5
95.04397	3.1
95.04955	36.9
95.08602	15.2
97.02863	5.9
97.06531	7.5
99.04442	8.0
105.07015	25.5
107.08584	30.9
109.02863	2.9
109.06505	17.8
109.10139	31.6
111.08062	7.0
113.06057	1.7
115.07561	3.2
117.07004	2.7
119.08566	32.5
121.10125	22.9
123.08016	4.0
123.11689	5.9
125.09601	5.0
127.03899	5.3
131.08548	17.1
133.10106	64.4
135.07994	8.1
135.11690	17.0
137.05980	6.9
137.09583	2.6
139.11163	5.0
143.08589	1.9
145.04953	4.7
145.10110	7.6
147.11647	20.7
149.13237	14.6
151.11163	4.9
153.09105	12.5
158.10892	6.6
163.14832	2.4
165.12738	3.2
167.14363	5.3
173.13235	47.3
173.14754	2.3
175.14798	100.0
191.14287	47.8
193.15857	3.1
209.15349	59.7
216.57129	1.9
227.16399	19.3
267.13623	2.0
550.28735	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	568.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.3
53.03927	3.0
55.05506	9.7
57.07065	6.7
59.04976	2.4
60.77217	1.2
65.03916	2.3
67.05495	15.9
69.03399	2.0
69.07061	12.7
69.45597	13.3
71.04971	1.5
72.67165	1.4
77.12385	1.1
77.17132	1.2
79.05481	20.3
80.06277	2.6
81.07041	33.3
83.04953	4.4
83.08604	6.0
85.06525	2.9
91.05470	45.0
92.06253	1.8
93.07033	56.0
94.07806	3.4
95.04963	36.6
95.08595	27.3
97.06504	1.8
98.21408	2.6
103.05450	2.8
105.07015	78.4
106.07790	4.3
106.47525	1.6
107.08579	42.5
108.09381	2.3
109.06488	5.5
109.10140	18.2
111.08051	1.8
115.05387	6.0
117.07009	25.3
118.07804	1.4
119.08570	100.0
120.09399	7.5
121.06512	2.6
121.10126	32.5
123.08053	18.7
123.11674	3.7
125.09616	2.4
128.06175	8.2
129.06978	15.9
130.07750	10.5
131.08549	48.3
132.09343	10.0
133.06335	1.5
133.10112	52.1
134.10921	6.9
135.08023	6.8
135.11676	17.9
137.09558	5.6
138.10370	5.4
138.18202	1.3
141.06960	5.3
142.07765	14.8
143.08546	38.0
144.09323	12.7
145.06422	1.7
145.10106	83.6
146.10844	5.3
147.08012	3.2
147.11681	21.1
148.12503	2.2
148.70215	1.4
149.09633	4.2
149.13237	6.4
151.11145	3.3
153.06999	3.2
154.07693	2.0
155.08533	14.8
156.09337	17.1
157.10115	48.0
158.10872	12.8
159.11676	35.9
160.12419	2.4
161.09596	6.1
161.13240	6.8
163.11168	3.2
165.06987	3.7
166.07857	1.7
167.08607	6.3
168.09314	4.1
169.10095	26.4
170.10883	6.6
171.11674	33.8
172.12369	6.7
173.13239	26.1
174.13985	1.3
175.11209	1.5
175.14781	20.8
177.12712	4.8
179.08522	6.8
180.09299	4.9
181.10081	17.0
182.10895	8.8
183.11674	29.3
183.13289	1.5
184.12469	6.5
185.13239	22.6
186.14015	4.9
187.14821	14.0
189.12700	4.0
189.16370	1.5
191.14270	6.8
192.09343	2.0
192.15065	1.9
193.10092	6.5
194.10872	9.1
195.11650	17.6
196.12433	8.0
197.13229	24.8
198.14023	4.3
199.14792	12.3
200.15500	2.0
201.12665	2.0
201.16359	6.5
203.14279	2.3
205.10028	1.8
205.15764	1.5
206.10889	2.5
207.11649	9.4
208.12405	3.1
209.13234	25.9
210.13933	3.1
211.14803	20.1
212.15562	2.4
213.16357	4.7
215.14314	2.3
217.15881	5.1
219.11642	2.7
219.17361	1.5
220.12418	3.4
221.13196	7.9
222.13965	3.5
223.14760	10.8
224.15552	3.6
225.12679	1.5
225.16383	7.7
226.17163	2.6
226.31969	1.3
227.17934	2.2
229.15851	1.3
231.11566	1.6
231.17487	2.1
233.13181	3.8
234.13885	1.5
235.14792	4.5
237.16328	5.6
238.17166	1.9
239.17834	5.3
241.19521	2.4
245.13075	1.5
245.19061	1.4
246.14027	1.3
247.14784	2.7
248.58836	1.4
249.16393	2.3
251.17973	3.7
253.19341	1.8
257.18973	2.5
259.20615	2.0
261.16400	3.1
263.17905	4.9
265.19473	4.5
266.20313	1.4
275.17822	2.9
277.19534	2.5
279.21109	2.3
283.20547	2.7
285.22025	1.9
289.19489	2.9
297.22168	4.2
305.22574	1.6
309.22012	1.8
323.23627	5.3
324.24573	1.9
335.23642	1.4
337.25217	2.5
338.25989	33.9
420.30167	2.1
430.32166	10.7
467.35208	1.5
472.88519	1.4
476.36414	9.9
568.42712	18.5
568.56720	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	569.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91932	0.3
55.01885	0.4
55.05522	0.4
67.05484	1.0
71.04970	0.4
79.05470	0.6
81.07036	0.8
91.05505	0.7
93.07045	0.5
95.04956	0.4
95.08604	0.7
105.06981	0.7
117.06999	0.3
133.10034	0.3
147.11528	0.4
161.13225	0.3
163.03821	0.3
166.13490	0.3
185.04233	0.7
265.45898	0.3
295.15247	0.5
407.24130	1.2
457.20523	2.8
471.21964	2.5
487.20969	0.7
499.72202	0.3
510.20813	0.3
569.29248	100.0
570.29633	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.4
53.66602	0.3
55.05491	0.4
57.03414	0.3
67.05473	0.9
69.76984	2.2
79.05482	0.9
81.03402	0.5
81.07036	0.9
81.69947	0.3
83.04987	0.3
85.02909	0.5
88.05306	0.3
91.05471	0.8
93.07045	0.8
95.04942	0.5
95.08581	0.7
97.02834	0.3
97.06528	0.5
97.10199	0.3
99.83884	0.3
101.30695	0.3
105.07038	0.8
107.08556	0.6
109.10143	0.9
119.08566	0.5
119.67546	0.3
121.10146	0.5
131.08533	0.4
131.85577	0.3
133.10103	0.5
143.08481	0.5
145.10088	0.5
163.03929	0.4
185.04201	0.5
271.13852	0.3
293.15619	0.3
309.16580	0.3
331.08011	0.5
345.11673	0.4
407.24057	0.8
415.09143	0.3
457.20328	2.1
471.21835	3.3
487.21585	1.6
569.29236	100.0
570.29620	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	1.3
50.37558	1.3
51.02360	2.1
53.03941	10.4
55.01863	8.4
55.05506	33.6
57.03165	2.1
57.03427	30.9
57.07055	1.9
65.03916	6.5
67.05494	85.3
69.03422	3.0
69.07059	18.4
71.04986	2.3
71.71655	1.8
73.06540	1.7
79.05482	99.4
80.26868	1.4
81.03413	13.6
81.07041	64.3
83.04965	44.0
83.08604	10.9
85.06519	5.6
91.05463	100.0
93.03398	2.1
93.07030	77.3
94.97720	1.3
95.04955	36.0
95.07997	2.5
95.08594	40.0
97.06512	11.5
97.10136	6.0
99.04439	3.8
103.05434	2.4
105.04500	4.0
105.07014	67.5
107.04237	2.8
107.04941	48.7
107.08578	29.0
108.05728	2.3
109.06496	25.7
109.10141	11.3
111.04430	20.5
111.08057	4.0
113.06001	4.0
115.05427	6.0
116.06255	1.4
117.07000	25.0
119.08559	37.9
121.06478	9.1
121.10134	10.9
123.04399	3.8
123.08056	9.4
123.11674	2.8
125.05976	2.8
126.72885	1.6
127.07535	2.0
128.06209	8.2
129.06982	28.0
130.07732	2.1
131.08537	22.0
133.06483	11.6
133.10118	24.4
135.08023	10.1
135.11664	8.8
137.05969	3.8
137.09569	4.5
141.06940	6.7
142.07784	2.6
143.08528	19.7
145.06444	9.5
145.10098	22.1
147.08028	13.1
147.11658	31.7
149.05951	3.4
149.09567	4.0
149.13321	1.9
151.07518	3.1
153.06906	1.6
153.15897	1.5
154.07797	2.3
155.08492	12.1
156.09253	1.8
157.06480	3.0
157.10062	6.9
159.08018	18.7
159.11688	8.1
160.08749	1.5
161.09596	14.6
161.13254	14.0
163.07503	7.7
163.11179	8.4
163.14883	1.4
165.06978	1.8
165.09087	2.1
167.08565	2.4
169.10100	9.0
171.08041	2.0
171.11653	32.0
173.09593	7.3
173.13252	4.4
175.11191	6.4
177.09105	2.6
177.12701	7.3
178.13527	1.8
179.08620	2.2
179.14334	4.5
181.10114	3.8
183.08087	2.1
183.11641	5.1
185.09567	3.5
185.13255	3.2
187.11140	5.1
187.14827	4.8
189.09038	2.0
189.12724	13.7
191.10564	1.6
193.10127	2.4
195.11684	2.4
197.09479	3.6
197.13199	6.8
199.11166	5.5
201.09087	3.1
205.12184	1.5
205.15814	8.4
207.11789	2.9
207.13747	17.7
209.13348	1.6
215.14278	9.7
215.17795	1.8
217.12173	2.6
225.14655	2.7
225.16560	3.2
233.15340	24.7
235.14781	2.5
243.13914	1.4
243.17404	10.9
253.15834	6.0
261.18518	16.9
271.16898	28.9
279.15930	1.7
281.17404	4.2
289.17935	63.3
307.18884	2.2
327.19595	1.7
333.15060	2.2
345.20538	2.9
363.21652	2.7
405.26682	1.6
449.30511	1.6
471.34421	2.4
477.30124	1.9
551.33545	5.8
569.34558	60.3
588.04700	1.5
598.04590	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
65.88835	1.7
69.42293	1.6
71.69140	1.9
85.02885	3.1
101.00872	6.4
109.15094	1.7
115.02464	1.9
119.01906	30.4
126.22160	1.8
131.01897	10.1
133.03432	5.1
137.02893	4.7
143.01878	17.7
145.03444	13.7
147.01410	2.2
149.03030	2.5
155.01878	28.2
156.16275	1.8
157.03438	9.3
161.02946	26.7
161.56380	1.7
163.04427	2.2
167.01877	5.4
169.03520	2.5
171.04980	4.6
173.02937	52.5
175.04474	2.7
179.01848	2.0
185.02960	38.2
187.00900	2.0
187.04485	5.0
189.02406	2.4
189.06239	1.5
191.04057	2.8
196.04568	2.9
197.02971	12.4
199.00969	2.3
201.02417	2.3
203.03981	16.3
208.04567	2.0
215.00345	3.5
215.04005	10.3
217.01952	4.7
221.05034	7.2
227.03915	9.1
231.03564	5.4
239.04022	2.3
239.06171	3.1
245.05049	100.0
246.05331	2.9
247.02943	3.4
257.04987	5.7
259.06430	2.3
263.06079	12.2
275.02832	3.4
275.06097	16.0
277.07687	1.9
289.03912	8.4
293.07053	3.4
301.04120	2.4
305.07077	29.6
307.05066	7.5
319.05109	2.2
333.06497	2.3
335.08093	4.6
345.44772	2.2
349.06223	7.1
352.11551	2.4
353.11136	7.0
359.04608	2.3
365.09290	11.7
391.07147	4.2
409.08478	3.5
451.09241	2.2
511.11407	3.7
539.10242	2.8
571.16449	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	571.1628
Annotation	4,4',6,6'-Tetramethoxy-[1,1'-biphenanthrene]-2,2',3,3',7,7'-hexol
Peak:m/z	Relative Intensity
68.51501	0.2
70.73941	0.8
77.03074	0.2
109.20081	0.3
128.93808	0.2
184.02612	0.2
225.23601	0.2
253.75096	0.2
270.69785	0.2
288.55716	0.2
377.16028	0.2
381.26410	0.2
421.55157	0.3
571.16284	100.0
572.16602	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17651	2.4
52.26408	2.4
52.47232	2.5
52.80483	2.2
53.98682	2.1
54.35906	2.3
55.03017	2.2
55.05504	18.1
57.07045	2.7
60.87309	2.0
67.05505	30.1
67.09042	2.2
69.03414	5.2
69.07055	27.6
69.73476	6.5
69.73908	11.7
70.70096	2.2
71.04971	10.3
79.05462	2.8
81.07045	46.8
83.08606	18.5
85.02898	13.0
85.06513	5.8
95.08595	49.7
96.99888	2.3
97.02857	2.2
97.10155	29.4
98.18835	2.3
105.21440	2.1
109.10144	31.5
111.11687	11.7
123.11692	17.7
127.03887	2.8
128.18384	2.2
137.05992	2.5
137.13260	13.4
137.87003	2.3
193.19456	3.6
211.20557	12.9
229.21605	100.0
247.22672	13.2
462.01294	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	571.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
51.07086	0.7
53.03937	5.7
55.01863	5.8
55.05506	23.2
55.37787	0.7
57.03423	4.4
57.07054	1.5
59.04984	0.9
60.56054	0.8
65.03922	3.0
67.05497	42.4
69.03426	7.7
69.06686	1.4
69.07061	26.1
70.77245	1.7
70.77634	1.9
71.04974	3.1
73.06548	1.1
79.05485	50.7
79.89170	0.7
81.03406	7.3
81.07045	38.7
83.04972	8.6
83.08600	8.9
85.02890	0.7
85.06511	1.3
91.05466	39.0
93.07034	40.3
94.07351	0.8
95.01315	1.1
95.04954	17.0
95.05515	1.4
95.08595	20.5
97.02882	6.5
97.06515	5.5
97.10157	10.7
99.04462	0.9
99.08086	0.8
103.05454	1.9
103.67990	0.7
105.07015	29.0
107.04943	11.7
107.08586	15.3
109.06502	6.4
109.10138	8.7
111.04498	0.7
111.08072	1.6
113.09645	0.9
115.05464	2.2
116.06205	1.0
117.07007	11.2
119.04968	1.8
119.08573	23.7
119.09415	1.5
120.63357	0.7
121.06497	3.8
121.10143	5.8
123.08064	7.6
125.09618	5.4
127.07584	0.9
128.06207	3.8
129.06981	10.7
130.28847	0.8
131.04916	0.9
131.08545	10.0
133.06471	4.4
133.10115	10.8
134.07294	1.1
135.08025	4.1
135.11705	3.4
137.09593	2.3
141.06966	2.2
142.07753	1.0
143.08543	8.1
145.06474	1.9
145.10104	10.2
147.04414	1.5
147.08040	6.3
147.11661	16.7
149.09610	3.1
149.13312	2.2
151.07549	1.3
151.11177	1.5
155.08566	1.9
157.10098	3.6
159.08014	1.7
159.11664	4.7
161.09615	7.1
161.13217	6.9
163.11211	2.7
165.05478	0.8
165.09120	1.9
167.08517	0.9
168.80490	0.8
169.10136	2.0
171.07915	0.9
171.10251	0.8
171.11656	13.0
173.09557	1.4
173.13228	1.2
175.11203	4.0
177.12744	2.6
179.14264	1.4
181.10101	0.9
183.11681	1.6
185.13274	2.3
187.11169	1.7
189.11217	2.6
189.12779	6.1
195.11821	0.7
195.13815	1.8
197.13167	1.3
199.14786	1.3
205.12276	1.3
207.13792	11.7
209.13324	1.0
211.14877	0.8
223.13243	10.6
223.14941	0.9
225.14764	1.0
227.12675	1.5
237.16222	1.2
245.19051	3.3
249.14905	3.3
255.17500	1.6
257.18790	0.9
273.18457	20.3
274.18759	0.9
275.20038	1.2
279.15927	1.3
281.17404	3.8
285.22220	1.1
287.20227	0.9
291.19510	69.7
292.19952	1.9
309.21887	0.7
313.27441	0.9
314.37750	1.0
344.74960	0.8
347.22192	2.8
365.23325	1.6
380.62204	0.7
473.28925	1.1
504.15234	0.9
553.35620	3.0
571.36285	100.0
572.36487	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	571.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	2.0
53.03936	11.5
55.01867	11.1
55.05503	28.6
57.03432	8.3
57.07037	2.4
59.04967	1.6
65.03927	6.1
67.05495	90.9
69.03419	5.9
69.06692	1.3
69.07053	23.5
69.45383	7.0
69.45815	5.1
71.04981	7.3
73.02911	1.5
73.06548	1.5
74.68405	1.1
77.03896	1.5
79.05480	99.7
80.05808	1.4
81.03403	17.0
81.07045	88.4
82.15511	1.1
83.04967	18.2
83.08154	1.4
83.08608	11.4
85.02846	1.9
85.06515	3.6
91.05466	100.0
93.07032	83.2
94.07368	1.7
95.01294	2.0
95.04405	1.9
95.04956	32.2
95.08591	50.6
97.02859	1.4
97.06519	10.6
97.10153	5.4
99.08062	1.6
103.05408	3.9
105.04486	2.6
105.07016	73.9
106.07224	1.5
107.04213	1.9
107.04928	20.7
107.08576	35.4
109.06504	14.3
109.10141	23.0
111.04393	2.1
111.08057	5.3
113.05981	1.6
115.05419	4.3
117.06261	1.8
117.07000	18.5
119.04922	2.4
119.07730	2.3
119.08556	38.4
121.06486	15.4
121.10134	16.4
123.04411	2.8
123.08044	11.5
123.11659	4.8
125.06003	1.8
125.09621	2.5
127.07506	1.7
128.06201	6.6
129.06096	1.6
129.06984	24.6
129.66779	1.1
131.04910	1.8
131.08548	33.5
133.06479	11.2
133.10101	40.1
134.10481	1.4
135.08023	14.5
135.11691	10.0
137.05899	1.7
137.09576	4.6
139.07523	2.4
141.06952	3.2
142.07700	3.8
143.08551	20.0
145.06416	3.2
145.10101	23.6
147.08035	9.4
147.11661	30.7
149.09589	18.2
151.07538	2.7
151.11166	13.6
154.73309	1.4
155.08528	3.9
156.09183	1.6
157.06439	1.2
157.10104	11.4
159.08005	4.8
159.11673	12.3
160.89938	1.1
161.09607	13.4
161.12317	1.0
161.13263	11.5
163.11148	5.0
165.09106	2.6
165.12701	1.7
167.10599	1.9
169.10095	6.0
169.12204	1.8
171.08012	2.1
171.11670	28.8
173.09558	2.4
173.11838	1.8
173.13220	4.5
175.11169	8.1
175.14735	1.4
177.09102	5.8
177.12672	2.9
179.10573	2.0
181.05554	1.0
181.10043	3.3
183.11652	4.1
185.09605	3.0
185.13190	5.1
187.11186	2.3
187.14804	2.1
189.09129	1.4
189.12747	9.9
189.37997	1.3
195.11626	2.5
197.13229	2.8
199.11090	2.4
199.14740	3.3
201.12637	2.1
203.14198	2.0
207.13770	15.5
211.14758	2.0
213.11122	4.6
213.12881	1.6
213.16295	1.6
217.12190	1.5
221.15215	1.6
223.13065	1.6
225.14751	1.9
225.73683	1.3
227.18056	2.7
235.96100	1.2
237.16451	2.0
245.18941	9.5
251.12697	5.6
253.14418	6.3
255.17400	4.6
263.19928	5.0
269.13605	2.2
273.18460	50.9
274.18784	1.7
275.19836	1.6
281.17422	14.9
283.20325	3.2
285.21991	5.3
291.19507	45.4
295.19037	1.6
301.21451	1.8
309.20499	5.9
347.22159	10.7
351.22601	1.2
359.25836	1.3
365.23251	5.4
437.34076	1.6
459.27560	2.2
461.30075	1.9
475.26706	2.4
479.31165	2.5
535.33923	1.5
548.27881	1.3
553.34937	12.4
571.35950	49.8
572.36731	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	573.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.1
55.05491	1.7
57.03427	2.8
61.29364	0.9
63.59252	1.0
66.16481	1.0
67.05486	1.9
69.03404	4.8
69.07088	1.2
71.04975	1.4
71.70978	1.3
79.05483	3.0
81.03401	3.2
81.07028	2.5
83.05010	1.1
85.02885	3.2
89.03908	4.4
89.93806	0.9
91.05464	3.5
93.07053	1.9
95.04958	1.9
95.08605	1.8
97.02875	9.6
99.04477	1.3
101.02345	1.2
105.07021	3.9
107.04938	1.5
107.08621	1.6
109.02866	1.6
109.06467	0.9
115.05419	3.2
117.03359	5.5
119.04940	1.5
119.08556	1.7
121.06575	1.7
121.10133	1.2
123.04433	1.5
127.03907	2.1
128.06190	2.5
129.06989	7.3
131.04990	1.0
131.08542	2.2
133.06442	1.4
133.10181	1.0
135.04395	12.4
136.07547	2.8
137.05981	1.6
142.07767	8.8
143.04915	1.3
143.08531	1.4
145.02829	11.9
145.06499	2.1
147.04390	4.3
147.08072	2.2
149.09618	1.1
151.03886	1.0
152.06166	3.2
156.05666	1.4
157.06482	4.8
157.10104	8.2
159.08015	2.0
159.11644	2.0
160.05162	1.0
161.05971	4.2
163.03882	100.0
164.04181	1.1
164.07095	2.9
165.07039	2.0
167.08546	8.8
169.06445	1.4
170.07260	4.5
171.08034	1.4
173.06075	1.3
174.06743	8.4
175.07523	10.4
177.05551	2.3
177.09076	1.0
181.04910	2.5
185.09589	14.1
187.03871	1.7
187.07512	1.2
187.11092	2.2
188.08353	2.0
189.09172	2.3
195.08011	9.2
201.09102	1.6
202.06183	5.8
203.07031	3.5
203.10637	25.9
203.70006	1.1
205.12057	1.2
213.09073	21.3
217.20238	1.1
221.11804	1.4
231.10129	64.9
232.10512	2.3
247.13326	1.6
249.11194	11.7
307.08087	1.6
325.09094	12.7
363.49057	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12550	0.8
53.03936	3.9
55.01865	14.3
55.05240	1.6
55.05503	30.0
57.03435	5.6
57.07047	1.6
59.04980	2.4
65.03934	2.2
67.05496	36.8
68.33782	0.8
69.03423	9.1
69.06689	1.8
69.07056	26.6
69.64273	3.9
69.64700	3.4
71.04985	4.4
78.67807	0.8
79.05481	40.5
81.03408	11.7
81.07047	36.2
81.07538	1.2
83.01317	3.7
83.04974	11.6
83.08608	12.2
85.02890	1.8
85.06506	2.3
87.10321	0.7
91.05467	30.9
93.07034	38.6
94.04137	0.7
95.01295	0.9
95.04956	14.5
95.07999	1.3
95.08593	19.5
97.02882	11.6
97.06521	7.8
97.10164	10.7
99.04456	1.2
102.56984	0.8
103.05447	1.8
105.07021	21.2
107.04946	14.9
107.07921	1.5
107.08584	20.6
107.09290	0.7
109.06506	8.3
109.10150	10.7
111.04403	2.6
111.08060	2.4
115.05403	2.3
117.07008	12.1
119.04883	1.4
119.08558	17.3
121.06476	5.9
121.10132	11.0
123.07343	0.9
123.08061	8.4
123.11697	1.4
125.06016	1.2
125.09631	8.0
128.06203	2.3
129.07001	7.3
130.07797	1.5
131.08534	9.9
133.06480	3.3
133.10135	9.0
135.08081	4.8
135.11668	10.1
137.05927	0.8
137.09586	3.5
139.07501	1.1
141.06982	1.7
143.08531	5.7
145.06383	2.3
145.10110	18.3
146.33386	1.0
146.70314	0.8
147.08041	5.4
147.11659	5.1
149.09592	4.3
149.13228	1.9
151.11172	1.3
153.09055	1.0
153.12733	2.3
155.08508	2.4
157.10104	3.3
158.07149	0.9
159.08066	1.0
159.11671	4.4
161.09581	3.0
161.13239	1.6
163.11156	16.1
165.09027	2.0
169.10085	1.7
171.10326	0.9
171.11621	3.8
173.09644	2.0
173.11830	1.1
173.13281	2.0
175.11127	2.2
177.12703	2.0
181.10106	1.1
181.12163	2.1
183.11613	1.3
185.09615	1.0
185.13190	1.4
189.11162	2.6
189.12701	1.1
191.10652	1.7
195.11571	1.8
195.13829	1.2
199.10907	0.8
199.14732	0.9
205.12189	2.0
207.13730	1.8
209.11659	2.9
223.13237	14.8
227.12714	5.1
237.16440	0.9
245.19025	1.4
249.14719	1.8
255.17296	1.6
273.18475	15.6
275.20050	6.9
281.17426	3.3
283.15289	3.3
291.19504	100.0
292.19809	1.9
347.22119	1.4
349.23602	2.0
365.23303	1.3
475.31039	1.2
541.35602	1.5
545.34534	1.0
555.35834	4.2
573.34058	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.4
54.46852	1.8
55.01866	17.6
55.05503	33.1
57.03419	6.6
65.03937	4.6
67.05498	90.5
69.03408	4.4
69.07053	24.7
70.06577	2.0
71.04976	5.8
78.44183	1.5
78.74017	1.7
79.05482	97.3
81.03407	14.4
81.07043	100.0
83.04971	16.2
83.08613	16.2
85.06509	2.1
90.84086	1.7
91.05468	76.6
91.06042	3.9
93.07029	78.1
95.04956	29.0
95.08594	51.2
97.06509	18.6
97.10154	9.1
98.21426	5.6
99.08073	2.3
103.05430	2.0
105.04459	2.2
105.07016	69.9
106.07304	2.1
107.04939	18.9
107.08577	35.6
109.06503	16.6
109.10144	16.4
111.08068	2.2
113.09646	2.0
115.05396	2.4
117.07013	19.1
119.08564	50.0
121.06496	5.8
121.10134	17.3
123.08051	10.3
123.11721	8.0
125.09605	4.9
127.07540	2.7
128.06210	4.2
129.06996	18.6
131.08553	20.8
133.06471	3.4
133.10115	27.7
135.08040	7.0
135.11667	8.2
137.09625	4.9
141.06987	1.9
143.08548	12.0
145.10094	27.1
147.08054	4.4
147.11671	47.3
149.09615	16.9
149.13271	4.6
151.11203	2.4
155.08531	2.4
157.10112	5.6
159.08020	2.0
159.11665	12.9
161.09566	6.0
161.13226	12.6
163.11150	8.1
163.14854	2.9
165.12720	4.7
168.09317	1.9
169.10165	5.3
171.11642	24.5
173.09587	2.0
173.11815	1.9
173.13255	5.7
175.11208	1.7
177.12692	3.6
179.14317	3.7
181.10088	1.8
182.54095	1.8
183.11646	2.5
185.13266	2.1
187.11121	2.2
189.11214	3.1
189.12711	9.3
191.14375	2.0
197.13266	2.7
199.14857	1.9
202.08028	1.7
207.13789	22.1
217.15689	2.1
225.14833	2.0
227.12761	8.1
229.19516	3.1
235.98145	1.6
239.17917	3.7
247.20480	3.1
257.18985	11.2
267.15842	3.4
273.18472	2.1
275.20020	79.9
281.17450	33.9
293.21085	6.5
340.08151	1.7
349.23669	23.8
376.24661	1.7
414.28195	1.8
475.30392	2.5
477.21710	1.7
481.33041	2.2
555.36755	32.7
573.38025	19.6
595.87531	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	12.3
55.01868	21.4
55.05502	44.1
57.03434	9.7
57.07064	3.4
59.04998	2.8
59.98766	1.9
65.03923	6.2
67.05492	83.8
69.03425	4.7
69.07047	26.6
69.44633	20.4
71.04980	6.1
75.64203	2.0
79.05480	100.0
81.03402	11.1
81.07043	95.4
83.04961	19.0
83.08617	18.3
85.06513	3.2
91.05460	94.3
93.07025	83.3
95.04945	31.1
95.08585	43.4
97.06518	34.1
97.10143	9.5
98.20634	3.8
99.08064	3.9
103.05459	3.5
105.04499	3.2
105.07012	71.7
105.07724	3.5
107.04948	23.9
107.08572	46.5
109.06487	15.0
109.10134	19.7
111.08070	6.4
115.05429	2.4
117.06999	19.9
119.08559	48.0
120.08881	1.7
121.06469	9.5
121.10110	18.7
123.08046	8.7
123.11695	5.9
125.09620	7.1
128.06236	4.2
129.06973	17.5
131.08531	24.2
133.06543	3.4
133.10110	28.8
135.08057	8.0
135.11627	12.0
137.09581	5.4
141.06943	2.5
142.07730	2.7
143.08527	14.3
145.06480	3.9
145.10112	29.9
147.04259	1.9
147.08058	4.6
147.11647	42.4
149.09589	24.7
149.13242	5.4
151.11134	3.8
155.08531	2.2
155.77083	2.1
157.10086	6.1
159.07935	2.3
159.11610	14.4
161.09648	6.7
161.13245	15.3
163.11145	11.8
165.12729	3.2
169.10078	4.7
171.11641	24.4
173.13229	5.4
175.11208	5.2
176.78819	2.2
177.12747	2.5
179.14262	2.6
181.09991	2.5
183.11673	3.3
185.13321	2.8
189.11322	3.3
189.12733	9.7
193.12114	2.4
195.41858	1.8
197.13184	2.2
204.15364	2.0
207.13777	20.6
227.12723	15.3
229.19510	4.3
239.17935	3.5
243.17429	1.9
247.20583	5.3
249.18936	1.8
253.14250	2.6
257.18976	11.7
267.15887	3.5
273.18478	6.1
275.20007	76.4
276.20291	2.2
281.17441	37.0
291.19473	4.6
293.21069	8.2
308.27249	2.2
313.21469	2.2
349.23740	25.9
354.52295	2.2
377.23267	3.8
377.87039	2.1
451.26981	3.2
459.31000	2.8
475.30426	4.7
536.68591	2.0
537.35651	2.5
555.36823	35.5
573.36914	20.7
573.47955	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	573.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.7
53.03939	10.0
55.01630	2.4
55.01864	25.1
55.05237	2.2
55.05501	40.8
57.03426	9.4
65.03922	4.3
67.05492	84.8
69.03411	4.0
69.07058	29.9
69.67635	5.1
69.68057	7.8
71.04979	3.3
73.06538	1.5
73.37907	2.0
77.03907	2.3
79.05480	100.0
81.03401	9.2
81.07043	95.4
83.04963	14.9
83.08604	12.8
85.06532	4.0
91.05463	93.3
93.07025	91.1
95.04956	30.5
95.07999	2.8
95.08585	44.0
97.06520	32.8
97.10153	10.0
98.86936	1.7
99.08098	2.3
103.05453	2.8
105.04504	2.0
105.07009	89.4
105.51523	1.9
107.04943	22.9
107.08569	42.7
107.09242	3.3
109.06507	16.1
109.10147	18.6
111.08076	6.1
115.05393	3.5
117.06995	22.5
119.07735	2.8
119.08560	51.8
121.06481	6.6
121.10123	15.5
123.08048	8.1
123.11643	4.2
125.09656	9.1
127.07562	2.1
128.06210	4.7
129.06963	17.4
131.08543	22.0
133.06474	3.5
133.09161	2.8
133.10106	31.9
135.08076	7.9
135.11656	10.0
137.09607	5.2
141.06952	2.5
142.07803	1.8
143.08527	12.9
145.10103	27.9
147.08028	5.7
147.11655	41.3
149.09592	23.9
149.13249	3.4
151.11142	4.1
155.08511	4.2
157.10117	5.9
159.11673	11.2
161.09573	3.7
161.13249	13.5
163.11165	12.0
165.09045	2.3
165.12706	3.5
169.10081	6.6
171.11649	23.4
173.13240	4.7
177.12715	3.8
179.14287	3.7
183.11647	4.7
185.13176	2.4
187.11240	3.3
187.13243	1.7
189.11211	3.4
189.12701	10.3
191.14301	2.1
197.13242	2.9
199.14745	2.9
207.13785	20.4
216.05931	1.7
227.12697	18.0
229.19481	4.0
239.17873	3.1
247.20424	4.0
257.18964	10.6
267.15787	3.3
275.20016	82.9
276.20480	2.9
279.15952	2.2
281.17432	39.8
282.17914	1.7
291.19534	4.1
293.21094	8.9
331.22626	2.0
349.23697	27.4
377.23236	4.1
459.31052	3.3
463.32172	2.0
475.30521	4.0
555.36786	37.0
556.36841	3.1
573.37823	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.4
53.03939	6.5
55.01865	54.9
55.05503	21.8
57.03426	6.9
57.07064	12.2
65.03920	3.0
67.05495	54.7
69.03397	1.7
69.07058	34.2
70.88838	2.4
71.04967	3.7
71.08627	6.9
72.46149	0.9
73.06540	1.5
76.72354	1.0
77.03900	1.1
79.05482	58.9
81.03410	11.2
81.07043	58.0
83.04966	12.0
83.08245	0.9
83.08611	10.5
85.06517	1.9
85.10161	3.6
91.05466	67.1
93.07029	53.5
95.01324	4.9
95.04957	22.0
95.08592	41.3
97.02862	2.1
97.06517	88.1
97.10149	5.2
98.98455	8.6
99.08080	1.1
103.05453	1.8
105.07015	68.4
107.04944	24.2
107.08577	23.3
107.63602	0.9
109.02872	1.3
109.06502	5.8
109.10139	12.3
111.08038	2.3
113.09599	1.7
115.05426	2.2
117.06995	15.2
119.07732	1.8
119.08566	33.7
121.06486	4.6
121.10139	9.1
123.04428	2.4
123.08030	4.1
123.11687	3.3
125.09601	2.6
128.06210	3.0
129.06987	10.1
130.07716	1.4
131.08539	18.3
133.06461	1.5
133.10109	30.8
135.08032	4.1
135.11681	6.2
137.09579	3.7
139.07507	3.5
141.07007	1.7
143.08521	7.5
145.06438	2.4
145.10109	14.7
147.08043	2.5
147.11662	27.5
148.11916	1.1
149.09599	15.4
149.13237	2.9
151.11136	2.8
155.01022	7.6
155.08495	2.1
157.10103	2.8
159.11659	10.4
161.09579	4.3
161.13252	11.1
163.11159	13.2
163.14822	1.2
165.09106	2.7
169.10042	2.6
171.11644	15.2
173.13292	4.5
177.12709	4.3
179.14294	12.4
183.11664	2.4
185.13194	1.3
187.11192	3.6
189.12747	6.6
197.13197	1.7
205.12126	1.9
207.13771	12.1
215.17943	1.4
223.13319	2.2
229.19398	2.2
239.17880	1.9
239.23753	2.3
247.20563	4.0
257.18979	8.6
257.53058	1.1
259.20444	1.2
261.22159	1.2
275.20023	100.0
276.20508	1.7
279.15759	2.7
281.17441	39.8
281.20551	2.0
291.19504	4.3
293.21112	11.3
313.27341	33.2
349.23688	24.3
377.23065	2.3
401.28790	1.5
459.31067	2.4
555.36774	52.4
556.36523	1.3
573.36749	3.0
573.48425	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	573.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01858	0.9
55.05502	21.1
57.03416	1.0
57.07068	54.8
58.76759	0.8
60.54195	0.8
65.03941	1.9
67.05495	60.9
68.91094	0.9
69.07056	23.6
69.55299	0.9
71.04980	1.8
71.08620	37.7
74.78711	0.7
77.03870	1.0
79.05482	48.1
80.06261	0.8
81.07046	64.6
83.04986	1.3
83.08607	24.2
83.09078	1.7
85.06523	2.1
85.10174	20.9
85.10687	1.6
91.00054	0.7
91.05468	26.6
93.06431	2.1
93.07032	53.9
95.04964	6.2
95.08594	57.9
96.08955	1.0
97.10165	9.5
97.64380	0.8
98.21533	2.1
99.08078	1.2
99.11693	1.0
103.05495	0.9
105.07018	17.9
107.08578	30.3
108.08917	1.1
109.06487	1.0
109.10146	27.0
111.08072	1.2
111.11735	2.3
115.05415	0.8
117.06995	7.7
117.42233	0.9
119.08561	14.5
121.10123	24.0
123.08092	1.0
123.11687	12.2
129.81451	0.8
131.08545	13.8
133.10130	13.9
135.11685	16.8
137.13251	4.0
139.14703	1.0
143.08560	1.1
144.10646	0.8
145.10114	10.4
147.11693	8.8
149.13232	10.6
149.40540	0.9
151.14861	1.4
159.11674	8.0
161.13237	8.7
163.11136	0.9
163.14827	3.9
173.13214	7.2
175.14822	3.2
177.16339	1.2
186.65500	0.8
187.14748	4.0
189.16335	1.5
201.16347	1.2
215.17923	1.5
221.22737	1.8
233.22662	2.9
239.23677	11.2
243.21014	12.3
250.49556	0.8
261.22122	29.4
262.22421	1.1
274.49548	0.8
277.21716	0.8
296.40717	1.1
299.23724	2.1
313.20041	1.0
313.27325	26.1
313.30896	1.3
317.24719	27.7
318.25262	1.3
333.24197	1.3
499.44598	1.2
573.48688	100.0
574.49127	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	574.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51588	1.9
55.01873	3.8
55.05500	10.1
57.03431	4.3
57.07067	44.7
67.05499	20.6
69.07050	12.0
71.04991	2.6
71.08621	33.4
72.87672	2.0
75.04485	2.3
77.20737	2.1
79.05481	11.1
81.03403	3.9
81.07048	30.2
83.08610	15.0
83.23746	2.2
85.10173	23.1
89.06059	2.1
91.05473	8.9
93.07009	13.2
93.16565	2.5
95.04952	4.5
95.08593	33.6
97.06523	2.6
97.10162	10.3
105.07020	6.8
107.08582	7.0
109.10141	13.4
117.07011	2.4
119.08562	5.5
120.14799	2.1
121.10126	4.2
123.11689	4.0
125.09602	1.8
125.13399	2.2
127.03887	2.2
131.08548	2.3
133.10139	3.2
135.11729	2.8
137.13185	3.1
142.33112	2.5
143.23187	2.3
145.10237	1.9
147.11691	3.0
159.11700	2.0
160.12103	2.1
221.22762	2.6
239.23651	33.4
257.24689	4.2
272.83890	2.4
281.17615	2.7
290.02133	2.5
313.27328	100.0
331.28391	11.6
393.76703	2.3
465.07709	2.1
476.31107	2.5
574.48608	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	575.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80513	0.4
53.03932	0.6
57.03421	0.5
63.02342	0.5
66.14735	0.4
67.05498	0.6
69.03418	2.2
71.04980	1.2
71.16541	1.0
78.81802	0.4
79.05468	1.4
81.03396	1.4
81.07039	1.2
81.14500	0.4
85.02906	2.7
85.99073	0.4
89.03903	5.3
91.05473	1.2
93.07021	0.5
95.04978	0.6
95.08571	0.7
97.02872	3.5
97.06520	0.8
105.06999	0.7
107.04923	2.1
107.08569	0.6
109.02876	0.8
117.03374	6.0
119.04929	0.5
119.08597	0.5
127.03882	0.7
131.08528	0.5
135.04398	14.7
137.05940	1.2
145.02831	10.5
145.09973	0.4
147.04384	0.9
163.03883	100.0
164.04201	2.2
169.10094	0.6
181.04912	2.1
185.19337	0.4
213.08766	0.5
215.10661	0.7
233.11623	1.0
259.87460	0.5
261.11209	0.7
307.08044	1.6
325.09204	6.8
360.16980	0.5
399.10779	0.8
511.30356	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01841	0.6
55.05496	1.3
57.03414	1.3
57.07066	0.5
65.03925	0.6
67.05499	2.3
68.99789	0.5
69.03421	4.8
69.07059	3.1
69.73898	1.2
69.74317	2.2
69.83738	0.5
71.01350	0.4
71.04981	0.7
79.05466	2.2
81.03415	2.9
81.07043	1.8
83.04935	0.5
85.02888	4.3
89.03907	5.7
91.05469	3.4
93.03415	0.6
93.07028	1.5
95.04947	1.5
95.08551	0.8
97.02876	11.2
97.06509	1.3
99.04401	0.6
101.02331	0.5
103.05471	1.4
105.03468	0.5
105.07014	4.3
107.04931	2.6
107.08547	0.7
109.02874	1.0
109.06522	0.8
109.10089	0.6
115.05442	1.6
117.03361	7.3
117.07005	2.6
119.04922	0.7
119.08546	2.0
121.02834	0.7
121.06542	1.0
121.10065	0.7
123.04396	0.5
125.05944	1.2
127.03921	1.5
128.06171	1.1
129.06978	2.3
131.04935	2.4
131.08563	1.4
132.05643	0.7
133.06468	6.6
133.10037	1.2
135.04390	16.7
135.08037	1.1
137.05934	1.5
139.03894	0.6
141.06981	0.7
142.07799	0.9
143.04875	0.6
143.08537	1.6
145.02827	12.4
145.03934	0.9
145.06458	3.4
145.10107	5.7
147.04375	1.6
147.07973	2.3
149.05965	4.0
149.09682	0.6
151.03906	0.8
152.04697	1.4
153.05434	1.7
155.08560	3.0
157.10115	0.9
158.07222	0.8
159.04398	1.0
159.08055	1.4
159.11708	1.0
160.05200	0.9
161.05945	4.1
161.09631	1.0
163.03880	100.0
163.07465	2.6
164.04552	2.0
165.05521	1.1
167.07060	2.2
169.45178	0.5
172.08824	1.4
173.05959	3.1
173.09599	7.7
174.06711	0.8
175.03938	0.6
175.07524	2.6
175.11201	0.8
176.04692	1.6
177.05447	5.3
177.09033	0.8
178.06279	2.2
179.06982	6.8
181.04935	3.3
182.05704	1.7
183.06474	1.6
183.08031	0.9
184.08826	0.7
185.06044	0.7
185.09624	0.7
186.05391	0.7
186.06839	0.9
187.07530	1.2
187.11168	4.7
189.05394	4.3
189.09067	0.9
190.06207	1.1
191.07010	14.0
191.10689	1.1
192.07745	0.9
193.08557	2.4
195.06519	3.0
200.08261	1.2
201.09071	4.8
203.07004	1.1
203.10602	2.2
204.07845	2.0
205.08624	0.7
205.12187	1.2
207.10069	0.6
208.10904	2.4
209.08067	1.0
215.10623	6.6
217.12209	0.6
218.09354	3.6
219.10115	11.1
220.10838	0.9
221.11670	3.5
233.11687	32.2
235.13235	4.1
245.10031	0.5
251.12790	5.7
298.83990	0.5
307.08014	2.3
320.15536	0.5
325.09122	9.0
341.08542	0.6
426.24915	0.6
577.64502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.3
55.01866	41.0
55.05505	40.3
57.03431	15.7
57.07054	3.8
59.04967	2.7
65.03917	5.1
65.39448	1.5
67.05496	72.3
69.03396	5.4
69.07066	40.5
70.20765	6.3
71.05005	7.9
71.08610	3.1
77.03931	2.3
79.05016	3.2
79.05482	63.6
80.05770	1.8
81.03407	22.2
81.07047	79.2
82.07346	2.2
83.01331	9.6
83.04969	22.1
83.08609	22.9
85.02877	2.1
85.06530	3.1
91.05472	77.9
93.07034	71.8
95.01319	9.3
95.04951	20.5
95.08595	50.2
97.02877	2.7
97.06523	60.4
97.10157	8.5
99.04424	2.8
99.08089	2.0
103.05444	3.4
105.04510	1.9
105.07019	93.9
107.04943	30.3
107.07909	2.6
107.08582	32.5
109.06495	11.7
109.10144	16.1
111.04426	4.6
111.08054	6.0
115.05437	2.3
115.40626	1.6
117.07010	27.5
119.08566	55.0
121.06496	7.9
121.10122	21.2
123.04425	3.4
123.08060	13.5
123.11684	4.8
125.09647	8.3
127.44993	1.7
128.06218	3.5
129.05458	2.0
129.06973	10.2
131.04921	1.7
131.08548	27.8
133.06465	2.8
133.09175	3.4
133.10117	42.1
134.10516	1.8
135.08029	7.5
135.11670	18.9
137.09601	5.7
137.13257	1.9
139.07483	2.9
139.11208	1.9
141.06960	2.6
143.08557	9.4
145.06450	4.0
145.10112	35.0
147.07982	2.8
147.11676	21.5
149.09602	11.3
149.13202	5.9
151.11168	4.6
153.12724	2.9
155.08528	5.2
157.10075	6.0
159.11703	12.2
161.09583	2.0
161.13182	8.6
163.11162	31.0
165.09097	5.5
165.12627	2.8
169.10059	3.3
171.11720	7.6
173.09671	2.2
173.13229	6.9
175.14880	2.1
177.12715	5.9
179.14293	18.9
181.12257	4.0
183.11639	2.9
187.11201	3.6
187.14798	3.6
189.12723	2.3
191.10690	4.4
193.12292	1.8
197.13234	2.4
201.12851	1.9
205.12273	1.9
209.11626	10.0
213.16232	1.9
215.14455	1.6
225.11113	2.4
227.12794	7.1
229.19571	4.5
233.15392	1.9
239.17882	2.7
241.14389	2.2
241.19441	2.6
247.20580	2.8
257.19070	9.8
259.20551	7.2
275.20050	100.0
276.20407	3.6
279.15875	2.6
283.15369	81.1
291.19458	3.7
293.21109	8.9
299.14801	4.5
333.24365	2.4
349.23651	20.9
356.85281	1.8
381.52209	2.1
433.88678	1.7
460.45291	1.9
525.36761	1.9
539.33392	2.6
551.16382	1.7
557.34625	57.6
575.35565	13.4
575.49640	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	575.357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68040	2.2
53.03938	11.2
55.01863	25.2
55.05231	3.3
55.05503	53.3
57.03424	22.4
57.07063	4.1
59.04988	3.1
65.03918	6.6
67.05492	93.7
69.03407	10.6
69.07053	35.1
69.67361	4.1
69.67682	17.6
71.04969	11.4
77.14821	2.0
78.51897	1.8
79.05015	4.9
79.05478	83.0
81.03405	28.8
81.07040	100.0
83.01327	6.7
83.04961	25.4
83.08600	26.2
85.02888	9.0
85.06548	7.0
91.05463	79.0
91.06039	3.4
93.07028	71.3
95.04955	35.1
95.08583	47.9
97.02885	4.1
97.06506	26.0
97.10152	16.9
98.21425	4.1
98.98458	2.3
99.08087	6.3
103.05456	4.0
105.04499	2.3
105.07013	63.0
107.04943	29.8
107.08569	41.2
109.06492	33.4
109.10133	26.9
111.04433	9.1
111.08062	8.8
113.05991	9.9
115.05441	6.6
117.07003	28.0
119.08562	48.9
121.06484	14.1
121.10123	26.7
123.04367	3.0
123.08035	14.9
123.11702	7.7
125.09610	15.5
127.07525	3.0
128.06155	4.4
129.06985	15.3
130.07765	5.3
131.08536	37.2
133.06464	8.6
133.10114	29.2
135.08035	20.0
135.11684	22.0
137.09601	9.7
139.11192	2.5
141.06964	3.6
141.57355	2.2
142.07773	5.3
143.08565	14.4
145.06436	6.3
145.10112	33.2
147.08023	8.0
147.11671	22.1
149.09616	20.6
149.13264	7.0
151.11176	5.4
153.09108	4.2
153.12724	6.4
155.08510	9.2
157.10110	14.5
159.08054	7.2
159.11699	17.2
161.09610	7.7
161.13232	6.6
163.03899	2.7
163.11156	33.1
165.12782	3.8
167.08516	3.3
167.10687	2.3
169.10120	7.6
171.11581	10.7
173.09615	9.7
173.13275	7.9
175.11188	9.1
175.14867	2.9
177.12758	2.9
179.14281	3.3
181.10158	3.5
181.12256	4.6
183.11632	6.9
185.09628	4.4
185.13245	4.5
187.11127	6.7
187.14861	3.3
189.11237	6.6
191.10646	8.6
191.14209	2.6
193.12161	9.8
195.11649	3.3
197.13332	3.2
199.14810	3.0
209.11687	6.3
211.11418	2.1
211.13284	6.4
217.15849	3.9
219.13846	2.1
227.12711	23.5
229.19371	4.3
239.18005	5.7
247.20532	3.1
255.17477	4.2
257.18933	13.8
265.14313	3.7
267.15985	10.2
273.18530	17.1
275.20004	62.2
283.15326	34.0
285.16803	2.9
285.22153	2.2
291.19528	21.5
293.21176	6.1
297.18430	3.6
303.20016	2.3
313.21469	3.3
329.21176	4.2
331.22507	5.0
347.22137	6.7
349.23642	17.4
357.95200	2.5
367.55545	2.2
368.68689	2.3
447.28842	6.7
465.29947	6.8
477.28354	3.8
483.30981	9.9
501.31995	2.7
511.33609	2.8
539.34161	11.6
557.34680	42.5
575.35718	49.5
576.35449	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	575.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	8.9
53.32642	2.7
55.01866	35.2
55.05504	62.0
57.03429	16.7
57.07061	5.3
59.04989	4.3
65.03898	3.3
67.05492	93.2
68.05852	3.1
69.03412	8.2
69.06725	4.2
69.07056	39.7
69.58426	2.4
69.58753	26.8
71.04962	7.2
79.05481	89.6
81.03395	27.2
81.07047	100.0
82.07420	3.2
83.01348	7.4
83.04955	22.2
83.08603	35.7
85.02883	10.7
85.06518	4.7
90.89427	2.9
91.04919	6.0
91.05470	92.4
93.07027	81.7
94.07343	3.1
95.04962	35.8
95.08593	51.1
97.02873	5.2
97.06512	43.1
97.10143	30.7
103.05466	3.9
105.07018	78.9
107.04933	28.9
107.08568	58.0
109.06503	18.9
109.10135	33.1
111.04410	8.9
111.08076	11.8
115.05412	4.7
117.07013	31.0
119.08559	54.1
121.06480	13.8
121.10123	35.0
123.08056	15.5
123.11670	10.7
125.09582	23.4
128.12726	3.1
129.06979	13.9
130.07747	4.5
131.08542	34.4
133.06491	4.6
133.10109	42.0
135.08029	13.5
135.11674	21.8
137.09595	9.3
143.08553	10.6
145.06403	6.5
145.10083	48.3
147.08028	10.5
147.11671	31.5
149.09587	36.7
149.13243	5.9
151.11157	9.9
153.12692	6.9
155.08527	5.9
157.10094	15.6
159.08037	3.1
159.11687	18.2
161.09648	5.6
161.13264	11.0
163.11179	34.6
165.09100	4.5
165.12729	8.1
169.10117	6.0
171.10281	3.3
171.11694	8.2
173.09593	3.5
173.13249	13.2
175.11156	9.5
177.12714	5.4
179.14279	4.7
181.12207	6.3
183.11668	7.4
185.13191	3.6
187.11177	4.2
189.11266	14.7
189.12695	3.1
191.10571	5.3
193.12225	12.1
197.13205	5.3
205.12248	4.1
207.13814	3.3
209.11644	9.3
211.13187	15.0
219.13713	4.4
223.13220	8.2
227.12743	35.2
229.19534	4.6
239.18013	4.9
247.20573	4.7
257.18869	15.0
259.20706	3.8
267.15909	14.2
273.18414	15.2
275.20032	88.7
276.20416	6.0
283.15378	63.2
291.19476	38.2
293.21069	9.6
295.20316	6.3
299.14673	5.6
313.21545	7.9
329.21017	4.0
333.24268	4.4
349.23669	41.2
351.23920	3.7
379.21124	3.1
465.29868	9.3
477.28751	6.3
483.30774	4.5
539.33807	11.5
557.34644	63.7
575.35608	57.0
576.68024	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	575.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.7
55.01860	16.7
55.05505	64.1
57.03428	16.2
57.07057	6.8
59.04998	3.3
65.03915	6.3
67.05496	100.0
69.03408	6.3
69.07063	33.8
71.01338	3.7
71.04982	13.2
71.08611	2.4
71.47846	2.1
79.05020	4.1
79.05484	85.3
81.03409	17.1
81.07047	90.5
83.04960	14.1
83.08608	25.2
85.02895	5.4
85.06522	6.9
91.05471	73.2
93.07035	77.2
95.04968	22.6
95.08595	61.9
97.06519	18.2
97.10166	25.5
99.08075	7.0
103.05433	3.1
105.07021	73.4
107.04952	18.0
107.08580	51.3
109.06532	11.2
109.10137	29.1
111.04446	2.8
111.08077	7.7
113.09613	2.4
115.05406	6.7
117.07004	33.3
119.08571	54.0
121.06484	7.5
121.10134	33.4
123.08031	9.1
123.11674	7.0
125.09622	21.6
128.06189	6.9
129.06990	22.3
130.07777	5.1
131.04958	2.9
131.08545	42.3
133.06461	4.9
133.10109	46.5
135.08031	11.7
135.11679	22.0
137.09561	6.0
139.11130	3.3
141.06981	5.2
142.07716	4.0
143.08556	22.6
145.06522	3.0
145.10112	36.3
147.07979	8.1
147.11674	34.3
149.09592	14.6
149.13297	9.1
151.11194	5.1
153.09091	5.4
153.12669	3.4
155.08533	15.9
157.10114	21.7
159.08005	3.9
159.11678	27.4
161.09583	5.8
161.13242	15.7
163.11179	12.2
163.14862	1.9
165.09056	2.0
167.08601	6.3
169.10118	13.1
171.10307	2.9
171.11687	20.6
173.09665	4.7
173.11803	3.6
173.13242	15.2
175.11169	5.5
175.14799	7.5
177.12776	2.9
179.10460	2.3
179.14223	2.4
181.10078	5.5
181.12210	3.2
183.11627	12.5
185.09622	2.2
185.13234	14.9
187.11253	4.4
187.14848	7.3
189.11165	10.8
189.12776	4.8
191.18010	1.8
193.10217	3.3
193.12216	3.9
195.11687	6.6
197.13269	8.7
199.11139	3.3
199.14865	9.5
201.12782	4.1
201.16452	2.6
207.11719	3.1
207.13687	3.0
208.26285	2.0
209.11568	4.6
209.13345	4.3
211.13083	3.1
211.14809	5.1
213.16388	3.8
215.14395	2.1
221.13266	2.6
223.14738	3.4
225.11201	5.5
225.16400	2.4
227.12796	21.4
227.18074	2.0
231.21092	4.6
235.14850	2.6
239.18068	2.5
241.19527	14.3
257.19080	3.7
259.20526	29.3
261.18396	2.1
265.19290	2.0
269.19031	3.1
273.18713	9.6
273.21484	1.9
275.20010	25.7
276.20419	2.7
277.21436	2.6
283.15378	10.3
283.20395	2.5
285.22101	4.4
287.20062	2.5
291.19421	11.5
295.20374	2.1
299.14890	21.3
299.20325	3.9
299.23651	7.3
313.21548	4.3
315.23080	2.7
333.24341	11.2
349.23788	4.5
351.23184	2.1
415.29825	2.9
421.25690	4.4
433.30942	11.3
451.31931	8.2
461.85266	2.4
469.33267	2.9
507.34592	6.2
517.35455	14.8
525.35748	31.4
539.33429	7.0
543.36792	33.5
557.34979	16.6
575.36353	24.2
575.49738	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	575.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.8
55.01863	13.4
55.05500	67.9
57.03426	14.0
57.07059	4.8
59.04993	3.8
59.45388	2.7
63.33398	2.8
65.03925	6.9
67.05494	100.0
67.81847	2.5
69.03410	4.6
69.07055	30.6
71.04964	23.6
71.25705	3.1
79.05479	81.1
81.03415	14.4
81.07042	97.7
82.07391	5.1
83.04972	11.2
83.08601	33.2
85.02883	5.8
85.06535	8.9
91.05461	71.7
93.07025	84.7
95.04961	23.8
95.08589	74.1
95.09189	4.1
97.06496	15.1
97.10147	25.1
99.08070	12.7
103.05408	3.9
105.07006	69.7
107.04939	11.4
107.08572	50.6
109.06493	12.0
109.10133	34.2
111.08065	12.8
115.05443	6.9
117.07009	32.7
119.05025	3.0
119.08557	43.7
121.06427	5.9
121.10119	35.3
123.08037	10.8
123.11673	9.1
125.09618	20.7
128.06207	7.7
129.06981	30.7
130.07765	3.9
131.08545	53.3
133.06429	6.7
133.10121	35.4
135.08041	12.8
135.11690	18.0
137.09550	7.4
139.11208	2.8
141.06960	10.0
142.07739	6.8
143.08519	25.8
145.06442	3.7
145.10109	36.4
147.08044	10.8
147.11684	29.5
149.09605	13.6
149.13240	4.6
151.11197	6.7
153.06964	3.9
155.08507	16.1
157.10106	32.0
158.10855	3.5
159.08041	8.9
159.11659	31.3
160.11990	3.0
161.09642	8.7
161.13248	12.1
163.11140	8.4
163.14841	3.0
167.08572	5.8
169.10088	21.0
171.11653	24.5
173.09560	6.2
173.11900	4.6
173.13191	14.2
175.11209	7.0
175.14729	3.2
177.12766	5.2
179.14267	4.2
181.10109	9.3
183.11699	12.1
185.13225	13.3
187.11098	3.7
187.14804	10.6
189.11220	15.4
189.12706	4.2
192.36116	3.0
193.10063	5.5
193.12192	7.6
195.11662	13.2
197.13260	7.6
199.14772	9.8
201.16312	3.7
209.13231	8.3
211.13182	7.3
211.14908	5.0
213.16342	3.9
221.13179	6.8
223.14873	4.4
225.16451	3.8
227.12671	24.7
235.14838	4.6
237.16458	3.6
239.18019	4.5
247.08257	3.1
259.20599	4.7
273.18457	11.6
275.20059	7.0
276.20502	3.4
281.17255	3.3
283.20404	3.5
285.22141	3.5
287.20020	4.7
291.19464	11.3
297.22311	4.9
299.23608	14.7
321.22134	5.1
325.21201	4.3
333.77069	3.3
335.23715	3.3
339.23203	4.0
359.25833	2.9
415.29782	6.6
421.26163	6.0
433.30881	24.4
435.27048	3.1
451.31891	14.1
469.32898	9.9
474.66571	3.2
499.34177	5.6
507.34540	9.7
517.35193	30.9
520.28345	4.2
525.35693	67.4
543.36658	72.3
557.38452	27.1
575.39661	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63351	1.6
53.03929	2.7
55.05505	38.2
57.07069	81.1
59.09309	1.5
67.05499	48.2
69.07061	73.0
71.08622	68.7
71.44433	3.1
71.44751	1.5
79.05496	8.2
81.07047	80.4
83.08610	58.9
85.09678	2.5
85.10170	35.3
87.04424	3.7
89.36061	1.8
91.05459	3.3
93.07019	6.6
95.08595	100.0
97.10157	53.8
99.11709	6.0
105.07041	1.8
107.08552	1.8
109.09401	3.7
109.10143	61.1
111.11707	46.0
113.13250	3.5
121.10125	1.9
123.10785	1.9
123.11687	29.3
125.13253	21.7
127.14843	3.7
133.10158	1.8
137.13237	14.8
139.14758	6.7
151.14810	12.1
165.16341	10.2
179.17841	3.8
208.39236	1.5
235.24152	2.5
239.23628	2.3
291.30219	2.0
305.31961	3.0
361.38074	2.2
370.16187	1.7
557.60059	17.2
575.26025	2.8
575.41260	2.3
575.50861	14.5
575.60461	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43694	1.5
55.05502	1.7
57.03429	4.4
69.03412	2.3
69.07053	2.1
70.06573	2.2
70.92024	4.3
71.04990	23.6
75.04429	2.2
77.76521	1.5
79.05499	2.2
81.03423	1.5
81.07050	2.0
81.48845	1.4
83.04961	3.9
84.04491	1.4
84.08130	3.7
85.02895	34.2
86.09692	3.9
91.05454	9.2
95.04935	2.0
97.02872	2.1
108.76540	1.6
109.06441	2.1
111.04426	2.5
117.03366	1.7
117.07007	1.6
119.04923	6.2
127.03914	1.7
129.05472	10.9
131.08524	1.8
132.28960	1.4
135.04338	1.4
137.05966	100.0
141.07034	1.9
145.10086	1.8
147.04375	2.2
147.06514	5.4
161.05959	2.9
163.03946	3.3
169.06601	1.7
169.10170	3.2
171.08109	1.9
177.05444	2.6
189.09065	5.9
197.09583	1.9
207.10182	2.4
215.10623	14.4
233.11725	15.5
251.12769	6.8
266.62283	1.5
271.38062	1.5
361.16431	2.1
379.17511	2.7
400.11218	2.3
423.34485	1.7
517.70599	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86354	1.3
53.03935	2.1
55.05494	4.9
57.03437	11.2
59.37203	1.6
60.04514	1.4
61.02893	2.1
67.05482	5.8
69.03083	1.3
69.03410	8.8
69.07063	8.0
69.41467	11.6
69.41894	3.9
70.06588	6.7
71.01350	1.4
71.04981	66.2
72.08131	7.5
73.02889	5.1
74.06015	1.4
75.04466	7.7
77.72330	1.2
79.05474	5.4
81.03393	4.6
81.07042	7.1
83.04968	11.2
84.08115	2.1
85.02892	100.0
85.06548	1.3
86.06033	1.6
86.09690	5.4
87.04461	1.9
91.05462	8.6
93.07011	5.5
95.04952	5.1
95.08578	3.2
97.02871	8.0
97.06513	8.9
98.91356	1.3
99.04430	3.5
100.11253	1.6
104.42741	1.4
105.06998	4.1
107.04872	2.1
107.08604	2.0
109.02915	2.1
109.06506	1.9
111.04424	6.1
117.03385	1.8
117.06980	2.3
119.04922	4.3
119.08578	1.8
121.06477	3.5
121.10072	2.7
123.04444	3.7
123.08025	3.7
127.03921	5.3
129.05464	32.6
129.06921	1.7
131.04932	2.4
131.08556	2.4
133.06459	2.6
133.10077	1.8
135.04405	2.3
137.05945	17.8
137.09665	1.9
143.11736	2.3
145.02769	2.5
145.06422	2.4
145.10057	2.2
147.04459	7.5
147.06499	14.9
149.05954	2.9
151.07556	3.5
155.08604	1.6
159.11749	1.9
160.51125	1.5
161.05943	2.0
161.09564	2.1
163.02698	1.4
163.03865	10.6
164.04208	2.5
164.09120	2.1
165.05475	6.0
167.07033	5.9
171.11317	2.2
173.05960	2.0
177.05450	5.9
187.11177	2.9
191.06999	21.1
215.10634	9.5
225.11137	2.0
229.12241	1.8
233.11690	68.7
234.12057	2.1
244.12830	1.9
245.11649	2.9
251.08183	3.1
251.12753	3.5
257.04413	5.6
257.11630	15.0
263.12671	2.8
269.09119	1.8
275.12714	7.8
286.04565	2.1
287.05386	6.4
299.12817	2.0
317.13596	1.9
325.14160	4.1
343.15482	8.9
361.16309	6.4
368.15912	2.3
377.16061	1.5
379.17017	2.8
383.11148	18.2
401.12222	27.8
403.18344	1.5
577.15082	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.0
53.03928	3.0
55.01853	7.8
55.05277	1.1
55.05508	12.0
57.03419	6.4
57.07073	1.5
65.03921	2.1
67.05492	31.6
69.03422	5.6
69.07049	9.6
71.04984	2.3
73.02896	5.5
75.04464	2.4
75.12616	1.1
78.99516	1.2
79.05479	35.3
81.03409	9.7
81.07041	32.3
83.04951	3.6
83.08599	6.9
85.02905	7.7
85.06510	3.5
91.05460	43.2
93.07028	45.1
95.04952	7.4
95.08587	23.7
95.41382	1.1
97.02878	1.9
97.06480	3.3
97.10185	2.6
98.20708	1.9
99.04427	4.6
99.08063	2.5
103.05441	1.5
105.07008	45.7
107.04929	1.5
107.08572	27.6
109.01274	1.0
109.02856	15.5
109.06553	2.4
109.10144	11.0
110.00517	1.0
110.03643	6.4
111.04412	7.3
111.08037	2.1
113.09547	1.3
117.06994	12.7
119.08559	39.1
119.09414	2.4
121.06479	2.7
121.10110	24.4
123.11671	3.6
125.09586	1.6
125.21809	1.0
127.03881	8.4
128.06175	2.2
129.06993	9.5
131.08537	18.9
132.99529	1.8
133.06392	1.1
133.10101	32.7
135.07980	2.7
135.11674	21.0
137.09601	2.1
143.08548	10.4
145.10106	20.3
147.08032	1.8
147.11659	34.7
149.09584	4.0
149.13232	13.0
151.11125	1.5
157.10106	10.6
159.08104	1.1
159.11652	17.0
161.13231	25.7
161.28770	1.1
163.11076	2.8
163.14764	5.1
167.08609	1.2
167.96359	1.0
169.10075	2.9
171.11652	10.3
173.13251	9.2
175.11115	2.1
175.14793	10.3
177.12695	2.8
180.03217	1.1
183.11655	1.6
185.13235	11.9
187.14757	2.2
189.12727	1.6
189.16393	2.1
191.00069	5.7
191.14284	1.7
199.14807	5.9
201.16365	1.0
203.14265	1.9
209.01147	1.7
209.13182	1.4
213.16339	3.7
215.17950	1.3
229.81047	1.1
231.17407	2.4
231.20958	7.2
241.19456	27.9
257.18970	3.0
259.20532	83.1
260.20850	1.6
261.22253	1.3
271.20712	1.6
273.22009	1.5
275.19919	3.4
277.21558	2.6
301.21353	2.3
331.22723	1.4
333.24237	5.9
335.25806	1.9
349.23663	3.8
351.25241	100.0
352.25708	3.6
367.22684	1.7
369.24503	1.6
375.25427	2.5
441.26355	1.2
467.21176	2.3
523.23950	1.3
541.34778	1.9
559.25446	6.7
559.35712	2.1
564.22687	1.3
577.26080	2.9
577.36774	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16668	1.7
51.02356	2.0
52.01165	1.9
53.03925	5.5
55.01867	27.3
55.05502	48.4
57.03430	14.6
57.07053	2.4
61.91268	1.9
65.03920	7.6
67.05495	93.6
68.87226	1.7
69.03423	9.7
69.07058	37.9
71.04999	9.9
71.08640	2.5
77.03925	3.9
79.05481	91.2
81.03403	48.2
81.07043	100.0
82.07376	2.9
83.04973	19.9
83.08602	34.3
84.48126	1.9
85.02889	16.0
85.06536	7.9
91.05460	86.6
93.07031	70.7
93.87960	1.9
95.04961	35.4
95.08591	52.3
97.02880	3.6
97.06518	41.4
97.10156	22.1
98.21471	4.5
99.04485	2.2
99.08050	3.7
103.96966	1.9
105.07014	78.0
107.04945	23.9
107.08572	49.9
109.06498	15.3
109.10142	27.4
111.04427	4.5
111.08083	15.3
113.06026	3.6
115.05453	5.0
117.06998	28.1
119.08564	57.8
121.06483	9.6
121.10129	34.0
123.08064	11.2
123.11684	11.1
125.09614	17.9
128.06207	3.2
129.06987	22.4
131.08556	38.5
133.06500	5.4
133.10106	43.0
135.08035	9.6
135.11650	16.0
137.09630	9.5
139.11163	2.8
141.06987	3.2
142.07768	5.2
143.08542	11.2
145.06480	5.2
145.10101	31.2
147.08023	5.9
147.11647	32.4
149.09601	33.7
149.13261	9.3
151.11084	9.4
153.09091	2.1
155.08562	6.1
157.10115	21.5
159.08070	2.9
159.11688	19.0
161.09601	5.3
161.13210	9.5
163.11169	17.0
165.12698	4.6
167.08612	1.9
167.10832	1.9
169.10115	7.7
171.11688	11.0
173.09660	3.4
173.11874	2.4
173.13232	10.4
175.11147	17.4
175.14810	3.9
177.12755	7.6
179.14339	3.0
181.10109	2.2
183.11667	5.4
185.13264	5.0
187.11235	3.6
187.14835	2.9
189.11203	14.2
191.14302	2.4
193.05025	2.6
193.10500	4.0
193.12207	42.0
195.11557	2.4
197.13229	5.9
199.14824	2.5
209.11690	3.4
211.13245	51.6
211.15137	3.9
215.14371	3.1
227.12663	18.6
229.14362	4.6
229.19490	4.2
239.17914	5.2
241.19508	4.7
247.20573	4.7
257.19022	12.5
259.20514	7.2
267.15860	17.8
271.20425	2.3
273.18823	2.5
273.21954	3.4
275.20029	77.5
275.23050	4.2
277.21466	3.5
283.15408	3.3
285.16867	30.0
291.19623	2.5
293.21161	7.3
299.19687	2.2
301.16437	4.1
301.21616	7.3
313.21426	2.9
315.23206	3.3
331.22546	3.6
333.24258	2.5
349.23682	35.5
367.24689	3.2
381.22769	2.7
431.29309	2.7
449.30405	7.2
452.27512	2.4
467.31195	5.8
479.30084	3.5
485.32541	5.7
513.41901	2.4
517.34381	2.5
523.34338	3.0
541.35004	23.4
559.36200	42.8
577.37476	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1337
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
53.03939	1.5
54.04269	0.2
55.01868	1.3
55.05485	0.3
57.03434	1.1
61.02907	0.8
65.03933	0.2
67.05479	0.7
68.99776	0.8
69.03419	5.9
69.07066	0.4
71.01339	0.2
71.04980	0.8
73.02901	1.2
79.05462	0.4
81.03409	6.3
81.07033	0.9
83.01323	0.2
83.04974	0.2
85.02894	8.2
87.00813	3.6
91.03937	0.3
91.05458	0.4
92.02596	0.6
93.03373	0.5
93.07021	0.7
95.04962	0.4
95.08586	0.5
97.02878	2.8
97.06535	0.3
99.04441	1.9
105.01852	2.2
105.07002	0.5
107.04922	0.3
107.08559	0.7
108.15508	0.2
109.02864	4.9
109.06491	0.2
109.10100	0.3
111.04416	0.4
115.03974	0.2
117.01862	0.9
117.07023	0.3
119.04922	0.4
119.08569	0.4
121.02864	0.9
121.06509	0.3
121.10147	0.4
127.03899	7.1
129.01826	0.4
131.08554	0.3
133.10124	0.2
137.05994	0.4
140.04654	0.8
145.04955	2.0
145.10109	0.3
147.02840	0.4
147.04395	0.8
149.05998	0.7
151.03883	1.0
153.05447	0.8
159.02867	3.4
161.13200	0.2
163.03766	0.3
167.03374	8.6
167.07051	0.6
177.05418	0.5
179.03366	0.5
203.05278	0.3
215.06966	0.6
217.04907	0.5
231.04863	0.7
231.06583	0.8
232.07199	0.6
233.04434	0.3
242.05704	1.5
243.06483	2.7
245.04350	0.5
251.12566	0.2
259.06015	1.4
260.06784	2.0
270.05481	0.3
271.05981	2.3
273.04080	0.3
274.04794	0.4
275.09293	0.3
287.05496	2.3
288.06235	3.4
298.04355	0.2
299.05472	3.0
301.03302	0.2
313.03320	0.3
316.05731	12.2
330.07492	0.2
331.08066	100.0
332.08432	1.3
351.10260	0.2
385.11795	0.4
399.10596	0.5
402.12521	0.2
403.12756	0.6
417.11722	0.4
472.99991	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	579.1702
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
51.09975	0.1
53.40668	0.1
57.03429	0.1
61.02922	0.1
65.03931	0.1
67.01855	0.5
68.99438	0.1
68.99757	0.4
69.03395	0.1
71.01335	0.1
71.04985	0.5
71.70388	0.1
73.02910	0.1
74.65101	0.1
75.04472	0.1
81.03410	0.1
83.04969	0.1
85.02895	1.1
91.05457	0.4
97.02834	0.1
99.04486	0.1
106.09676	0.1
109.02858	0.1
111.04433	0.1
115.05434	0.2
117.06992	0.2
119.04922	2.0
121.02847	0.7
123.04429	0.2
124.05139	0.1
125.02332	0.1
127.05411	0.1
129.01808	0.1
129.05449	0.3
131.04977	0.1
145.02811	0.7
145.06502	0.3
147.06592	0.1
151.03818	0.1
153.01802	4.6
155.05968	0.1
163.03899	0.5
167.07016	3.5
169.06374	0.1
171.02859	0.7
173.05923	0.8
177.05441	0.1
181.04921	0.9
187.03836	0.1
197.06038	0.1
203.07004	0.2
205.08553	0.2
225.05484	0.3
229.04936	0.3
233.08051	0.2
235.09694	0.2
243.06470	0.3
247.06020	0.2
254.05708	0.1
271.05966	100.0
272.06293	2.5
295.09805	0.1
387.14301	0.6
417.15366	0.4
433.11203	0.3
579.20752	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2065
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
50.48572	0.2
51.02375	0.1
52.03147	0.2
53.03920	0.3
55.01845	0.6
57.03410	0.2
61.02903	0.3
65.03931	1.1
65.67192	0.2
66.04698	0.2
67.05465	0.5
69.03425	1.7
70.56176	0.3
70.56570	0.3
70.60114	0.1
71.04964	0.2
73.02893	0.2
78.04700	1.9
79.05479	1.3
81.03410	0.8
81.07030	0.2
82.04170	0.4
85.02892	2.7
87.04436	0.2
91.05455	0.8
93.03375	0.3
95.04943	1.0
96.05724	0.2
97.02873	1.0
97.06485	0.4
98.20834	0.2
99.04426	0.3
102.04639	0.2
103.05453	1.0
105.03373	0.3
106.04160	1.2
107.04933	0.9
108.02084	0.2
109.02829	0.2
110.03632	0.6
111.04416	0.3
115.05438	3.4
117.07005	5.8
119.08544	0.2
121.02873	0.1
121.06491	0.2
122.03632	0.2
123.04407	6.0
124.05193	2.1
124.63955	0.1
125.05952	0.5
127.03884	0.3
127.05426	0.6
131.04877	0.3
133.06468	0.3
134.03612	0.4
135.04367	0.3
137.05946	0.4
138.03079	0.3
142.02600	0.5
143.04871	0.4
144.05690	0.2
145.06461	10.5
147.08017	0.6
151.03877	1.2
152.04646	1.8
152.53546	0.1
153.05464	0.4
155.04832	0.2
155.06009	3.2
155.07187	0.3
161.05931	0.3
165.05444	0.2
167.07011	100.0
168.04129	0.2
168.07385	1.1
171.06506	1.4
173.05957	19.6
174.06439	0.3
175.07518	0.6
181.04929	21.8
182.05295	0.3
189.05481	0.2
190.06306	0.2
191.07071	0.2
197.08513	0.2
201.05461	0.7
203.06897	0.2
205.08566	4.2
207.10124	0.3
233.08047	5.1
235.09604	4.6
280.07135	0.2
324.00146	0.1
355.11636	0.2
356.12592	0.2
386.57983	0.2
387.14322	17.2
388.14737	0.3
417.15390	12.1
418.15619	0.4
558.22852	0.1
579.20636	41.5
580.20935	1.2
602.81299	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	579.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.3
57.07057	4.8
67.05499	12.7
67.77988	1.2
69.07072	1.7
71.08611	2.9
79.05452	1.7
81.07050	3.6
83.14981	1.3
85.10201	2.2
88.74821	1.2
91.05492	1.2
95.08591	4.7
109.10139	9.3
112.99974	1.8
118.71357	1.3
119.81755	1.3
119.89214	1.3
122.32492	1.4
167.11165	1.5
169.02579	1.8
173.11763	2.8
239.23865	1.3
377.17694	1.6
379.19342	1.9
389.18289	1.7
391.19342	1.9
393.20804	2.8
405.21011	1.8
406.17703	2.0
406.22443	1.6
407.22665	2.6
421.20013	7.1
433.16293	2.5
435.17426	6.2
436.22580	11.2
437.23572	1.7
445.20319	1.4
447.22150	1.7
448.18796	3.0
449.19037	8.9
452.22250	1.7
460.22714	1.5
463.20905	9.2
464.21967	2.1
467.37228	23.7
475.20932	11.2
476.22153	1.9
477.22781	6.9
491.24426	2.0
492.21515	17.0
503.24142	2.5
519.23724	2.1
522.22949	2.1
523.26953	13.9
535.27057	4.7
551.26520	29.7
579.25946	100.0
580.26288	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	579.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.0
53.03932	3.0
55.01849	4.7
55.05502	13.8
57.03431	5.5
57.07059	3.6
59.04970	1.0
60.42696	1.0
65.03915	2.6
66.78620	1.2
67.05494	76.0
69.03412	6.4
69.07066	12.3
71.04972	3.7
71.08611	2.1
71.71125	1.7
71.71487	1.3
73.02904	4.3
79.05019	2.4
79.05482	44.4
81.03400	12.7
81.07044	80.0
83.04960	3.9
83.08604	10.3
85.02874	4.7
85.06526	2.5
91.05460	26.4
93.07030	58.9
95.04948	7.5
95.08594	65.1
97.02858	3.1
97.06526	4.9
97.10131	5.9
98.98418	2.3
99.04430	4.5
99.08051	2.5
105.07021	20.7
107.04919	1.8
107.08579	37.2
109.02869	11.1
109.06515	2.9
109.10147	33.6
110.03632	3.2
111.04443	5.6
111.08059	2.4
117.06997	10.2
119.08566	20.0
121.10127	32.9
123.08053	2.6
123.11681	19.1
125.09618	3.1
127.03915	6.2
128.06210	1.7
129.06970	2.8
131.08549	23.9
132.99458	1.5
133.10115	16.5
135.11676	26.7
137.09589	1.8
137.13246	7.7
139.11095	2.0
141.06963	1.3
143.08517	3.3
145.10124	17.2
147.11664	15.0
149.09680	1.7
149.13231	20.3
151.11176	2.0
151.14786	1.8
153.12764	1.9
155.01039	2.0
155.08615	1.3
157.10040	2.7
159.11678	16.3
161.13210	12.3
163.11259	1.3
163.14812	12.0
169.10133	2.0
171.11661	3.5
173.11824	2.4
173.13228	17.8
175.14784	3.8
177.12747	1.6
177.16246	5.6
179.14320	1.4
183.11758	1.6
187.14803	9.5
189.12694	1.4
191.00055	3.4
201.16341	4.2
205.15929	1.3
207.13725	2.1
215.17958	1.8
233.22606	4.9
243.21053	28.8
245.19339	1.2
261.22107	100.0
263.23657	3.1
273.21970	1.2
275.23666	1.5
279.23154	5.2
303.23227	2.0
335.25717	17.4
337.27240	2.6
353.26825	77.5
355.17282	1.5
369.24103	2.3
377.26868	2.4
451.21368	1.5
461.84381	1.3
469.22595	1.6
487.22992	1.4
543.36847	1.4
561.27106	5.9
561.36084	1.8
579.30542	5.8
579.39117	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.4
53.46642	1.0
55.01855	3.4
55.05506	24.5
57.03421	5.3
57.07055	1.3
59.05006	1.7
65.03937	4.1
67.05497	100.0
69.03423	17.4
69.07054	13.3
71.04987	6.7
71.08611	1.5
71.71402	2.1
79.05484	61.2
81.03410	52.8
81.07044	49.8
83.04974	16.5
83.08607	10.6
85.02885	5.3
85.06522	4.0
88.33732	1.0
91.05463	47.6
93.07035	50.7
95.04395	1.7
95.04960	18.0
95.08596	30.8
97.02888	13.6
97.06518	5.8
97.10164	8.4
99.04433	5.9
99.08102	2.4
101.02398	1.1
105.04519	1.4
105.06327	2.0
105.07016	28.3
107.04943	6.6
107.07827	1.1
107.08577	24.6
109.02868	10.1
109.06494	4.1
109.09403	2.7
109.10146	45.3
111.04433	11.4
111.08057	3.6
113.09633	1.5
115.05439	2.0
116.19922	1.2
117.07005	8.2
119.08564	22.6
121.06493	2.8
121.10117	9.8
123.04382	1.5
123.08035	4.4
123.11697	2.7
125.05966	1.3
125.09641	7.5
127.03899	12.6
128.06189	3.2
129.07016	11.4
130.07759	1.2
131.08565	8.4
133.06470	2.9
133.10126	11.8
135.08029	1.4
135.11659	7.6
137.05957	1.0
137.09590	3.8
137.13179	1.5
141.06946	1.4
143.08586	5.6
145.06465	1.9
145.10139	12.0
147.07986	2.7
147.11668	20.5
149.02232	1.4
149.09578	1.8
149.13231	5.2
151.14740	1.4
155.10666	2.5
157.06380	1.1
157.10120	1.6
159.11693	3.3
161.09630	4.0
161.13240	9.1
163.11160	2.6
163.14816	5.3
167.08554	1.1
171.11684	18.9
173.11720	11.1
173.13222	5.1
175.14752	1.4
177.12703	1.4
177.16344	1.6
179.08681	1.6
187.14917	2.7
189.11504	5.6
189.12704	7.5
190.28395	1.1
193.12192	1.3
201.16365	1.3
207.13759	19.3
209.11794	1.6
225.14790	2.3
227.12749	3.0
229.14302	2.2
243.21097	9.4
257.09460	1.3
261.22131	24.4
261.24731	2.0
281.14563	1.3
281.17499	4.9
287.16373	1.7
294.03030	1.2
299.14813	9.8
335.25696	1.6
335.98819	1.2
350.24088	1.3
351.17999	1.6
353.26859	8.0
355.17465	7.2
417.26736	1.4
435.27469	11.5
579.31506	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	4.4
57.07056	18.0
57.31405	2.8
59.04992	3.6
67.05493	38.1
67.77255	2.7
69.07067	6.7
71.08619	9.1
71.71369	3.4
71.71751	3.8
79.05467	2.8
81.07040	12.3
83.08623	7.3
85.10168	6.3
90.05399	2.6
95.08598	11.0
109.10150	36.3
113.00011	4.2
119.08567	3.3
169.02634	4.6
173.11740	7.6
224.48773	2.7
228.85873	3.1
268.36792	3.4
384.64078	2.9
467.37210	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41460	0.4
53.03952	0.5
53.11657	0.4
55.01865	0.5
55.05489	1.6
57.03420	1.9
60.04512	2.8
61.02923	0.7
64.56078	0.4
65.03925	0.7
67.05496	2.6
69.03400	1.6
69.07048	1.1
70.06523	0.5
71.01307	0.4
71.04611	0.7
71.04981	12.2
71.37199	1.0
71.37531	0.5
75.04473	0.6
78.28243	0.5
79.05472	1.8
81.03397	1.7
81.07048	4.3
83.04958	1.4
83.08596	0.7
84.08115	1.4
85.02894	13.9
85.06512	0.8
86.06041	0.5
86.09674	0.5
87.04436	0.5
91.05455	6.1
93.07022	2.5
95.04991	0.8
95.08606	4.4
97.02873	2.3
97.06514	0.6
99.04414	0.6
105.07024	2.8
107.04922	0.5
107.08572	2.4
109.02868	0.8
109.06536	0.6
109.10138	2.5
111.04436	0.8
111.08039	0.5
119.04929	13.1
119.08552	1.7
120.05263	0.4
121.02841	0.7
121.10125	1.4
123.08048	0.9
123.11710	0.7
126.09114	0.6
127.03897	1.0
129.05463	4.5
131.04895	0.5
131.08530	1.0
133.10106	1.3
135.04514	0.6
135.11613	0.8
137.05956	0.5
137.09492	0.5
140.10675	2.0
145.04945	0.8
145.06453	0.4
146.08089	0.8
147.04388	100.0
147.11673	2.3
148.04732	1.4
161.13264	0.9
163.14774	0.9
164.09175	1.2
165.05431	1.8
165.12717	0.4
167.07036	0.8
177.05492	0.5
203.17920	9.1
221.18878	0.7
257.08130	0.5
293.10266	0.9
309.09668	4.9
332.27838	0.7
409.49710	0.4
508.39771	0.8
526.40942	1.9
544.42084	1.0
580.33508	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01870	3.0
55.05500	18.4
56.05008	1.6
57.03432	3.0
57.07059	4.1
60.04516	15.0
61.02905	3.9
65.03929	2.1
67.05496	37.0
68.80740	1.8
69.03404	7.2
69.07057	24.9
70.06570	2.7
71.04981	6.2
73.02917	1.8
79.05482	26.6
81.03403	10.4
81.07046	70.2
83.08591	5.7
84.04501	2.0
85.02894	27.0
85.06522	5.9
85.10125	1.6
91.03947	1.9
91.04922	2.2
91.05465	30.0
93.07030	52.2
94.06561	1.6
95.04951	7.1
95.08591	92.2
96.08112	1.7
97.02873	7.8
97.06499	4.8
97.10144	6.4
98.20657	3.8
98.72065	1.6
99.04487	2.1
99.08078	4.5
105.07014	76.7
107.08578	66.0
107.80267	2.1
109.02838	4.9
109.06475	2.7
109.10140	62.6
110.09692	1.6
111.04402	2.0
111.08046	4.3
111.11761	2.0
111.53977	1.7
117.06941	2.3
119.08563	67.1
121.10124	32.5
122.09666	3.2
123.08038	8.0
123.11687	17.4
125.08715	1.4
125.09586	11.2
127.03904	7.5
128.10681	3.2
131.08607	2.4
133.10112	34.3
135.11668	20.6
137.05928	4.0
139.11166	2.4
140.10681	22.7
141.09077	2.8
145.04941	8.7
145.10107	5.0
147.04399	6.6
147.07976	1.8
147.11668	61.3
149.13245	5.1
151.11148	4.3
157.10167	2.7
158.11761	4.4
159.11681	6.2
161.13239	28.0
163.06003	4.2
163.14801	13.4
165.12776	7.9
175.14827	13.7
176.12842	3.3
176.76213	1.6
177.05501	2.2
177.16377	5.7
181.62486	1.4
203.17923	100.0
214.18028	2.1
219.41771	1.4
221.18930	10.5
232.41019	1.7
352.28815	1.7
490.38809	2.7
508.40103	9.6
526.40881	23.3
544.41815	13.2
562.42834	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	581.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72754	2.0
53.03955	4.7
55.05503	12.6
57.07059	9.1
59.04964	3.9
62.55960	2.4
63.65447	1.8
65.03921	3.3
67.05496	24.7
69.03422	13.5
69.07067	16.8
69.72401	15.6
77.03933	2.4
79.05481	23.6
81.03400	3.2
81.07034	28.9
81.75126	1.9
83.04956	5.7
83.08611	9.3
84.64513	1.9
85.06527	4.8
86.47946	2.1
91.05463	31.1
93.07025	36.9
95.04958	13.4
95.08597	30.0
97.06503	6.3
98.42620	2.1
103.05437	3.6
105.07016	58.7
105.07717	3.6
107.04965	2.3
107.08578	35.4
107.09256	3.6
109.06507	8.3
109.10121	17.2
111.08057	3.3
113.09585	2.5
115.05470	3.5
117.07027	13.9
119.08561	50.6
121.06497	9.0
121.10127	56.4
123.08036	21.7
123.11721	7.6
125.05936	3.5
125.09541	2.5
128.06215	6.4
129.06984	14.8
130.07739	3.3
131.08551	33.5
132.40970	1.9
133.06470	5.1
133.10114	52.9
133.74359	1.9
135.08044	8.7
135.11681	13.4
137.09587	10.5
139.07585	2.3
139.11169	3.7
141.06978	8.6
142.07765	13.0
143.08545	22.2
144.09282	6.4
145.06508	3.1
145.10097	37.2
147.07997	19.2
147.11705	12.2
148.39482	2.0
149.09569	22.4
151.07524	18.5
153.06989	3.9
154.07730	2.5
155.08534	10.3
156.09311	13.9
157.10112	38.9
158.07280	2.5
158.10854	6.3
159.08035	7.8
159.11687	21.9
161.09673	10.6
161.13274	5.6
163.11177	9.1
165.06966	5.5
165.09093	22.7
166.07718	2.2
167.08487	6.7
167.10657	32.9
168.09358	3.4
169.10112	20.4
170.10873	6.1
171.08002	3.5
171.11661	20.6
172.08766	2.4
173.09612	6.5
173.13254	24.6
175.11296	2.4
175.14766	6.4
177.09050	2.7
179.08604	7.1
180.09351	4.0
181.10069	11.1
181.12273	4.5
182.10847	5.5
183.11668	19.8
185.09561	4.2
185.13187	11.5
187.11172	4.5
187.14809	13.8
189.12730	6.8
191.14294	3.3
192.09322	3.1
193.10133	9.4
194.10934	6.0
195.11725	13.1
195.13438	2.2
196.12453	5.5
197.13226	12.6
199.11166	4.1
199.14784	9.0
201.12694	5.1
201.16420	4.2
203.14330	8.8
205.10138	4.3
206.10709	4.3
207.11673	12.6
207.13805	7.7
208.12424	6.6
209.13240	18.2
209.15094	3.1
210.14030	2.8
211.11261	2.9
211.14793	10.1
213.12686	4.1
213.16402	4.6
215.14355	6.6
217.10242	2.8
219.11697	5.2
220.12485	4.8
221.13245	10.5
221.15364	48.8
222.13953	2.4
223.11249	2.2
223.14830	7.0
225.12723	3.6
225.16365	4.7
227.14276	2.8
231.11690	7.0
232.12344	2.9
233.09639	2.2
233.13249	7.6
233.15361	14.2
234.14043	2.7
235.14842	6.8
237.12775	3.1
237.16318	6.6
239.14247	3.2
243.11850	4.2
245.13258	5.8
246.13974	5.0
247.14735	5.2
249.16338	5.2
251.14345	2.7
251.17955	3.2
253.15768	2.5
253.19679	2.6
257.13306	5.3
258.14069	5.6
259.14728	6.6
261.16312	4.5
263.17932	6.5
265.15848	2.9
265.19846	2.9
270.14081	3.5
271.15024	2.3
273.16150	4.8
274.16992	2.5
275.17831	3.5
277.16040	2.1
277.19510	4.7
279.17560	2.8
285.16321	3.4
287.17529	2.7
287.20297	3.1
289.19498	4.1
295.20544	2.6
299.17661	2.7
303.20941	2.6
311.20172	2.4
312.20880	15.2
331.24072	4.0
359.23770	3.1
371.23581	2.7
373.25128	6.8
450.19934	2.5
553.40149	5.7
563.09625	2.4
563.38824	17.0
581.30963	6.7
581.39722	100.0
582.39880	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	581.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01865	1.8
55.05501	19.1
55.52473	0.8
57.07061	2.1
59.05001	1.2
65.03934	1.7
67.05495	32.2
69.03411	1.4
69.07059	16.0
71.04967	1.1
71.22063	0.8
73.06567	1.1
79.05480	21.8
81.07044	32.8
83.04985	2.2
83.08607	9.0
85.06538	2.1
91.05468	18.0
93.07030	25.4
95.04980	2.1
95.08591	33.3
97.06512	2.3
97.10143	4.5
98.58958	0.9
98.98448	1.1
105.07017	25.6
107.08576	17.2
107.09252	1.6
109.06526	1.6
109.10135	14.4
111.08080	1.7
115.05458	1.5
117.06996	15.5
119.08562	24.0
121.10126	13.1
123.08077	2.9
123.11671	5.0
125.09607	2.3
128.06168	4.6
129.06985	16.6
131.08543	24.1
131.09439	1.6
133.10115	17.8
135.11664	8.7
137.13275	1.3
141.06924	5.4
142.07753	4.8
143.08536	19.5
144.09346	1.2
145.10106	23.1
147.11662	11.2
149.13263	3.9
153.06993	1.5
155.01115	1.2
155.08516	10.8
156.09306	2.6
157.10097	19.3
158.10902	1.7
159.11673	16.5
161.13264	6.7
163.14815	2.5
167.08586	2.9
168.09340	1.5
169.10109	14.3
170.10893	1.1
171.11652	15.9
173.13246	10.7
175.14809	5.1
181.10104	6.2
183.11679	11.3
185.13231	13.5
185.14685	1.0
187.13208	1.5
187.14764	7.9
189.16359	1.9
193.10184	1.4
195.11714	5.6
197.13254	10.4
198.14000	1.1
199.14757	9.3
201.16438	3.1
207.11775	3.0
209.13187	4.7
211.14751	6.2
213.16331	7.1
215.14536	1.0
215.18063	1.5
221.13225	1.5
223.14868	4.2
225.16499	3.6
227.17905	5.5
235.14877	1.8
237.16441	3.1
237.18639	1.0
239.17905	2.3
241.19592	3.8
249.16418	1.5
251.17926	2.1
253.19598	2.5
265.21790	1.4
269.19174	1.2
281.19092	1.1
281.22318	1.1
283.20663	2.4
287.20111	1.2
291.23370	1.9
293.22647	1.1
295.20615	1.9
297.22253	1.8
303.23361	1.4
309.22308	1.7
315.23224	1.2
317.24869	1.2
323.23743	2.0
327.23309	1.7
329.24615	2.2
333.22528	1.1
337.25204	2.2
341.24869	3.3
343.26361	2.2
345.27753	2.0
351.26941	2.2
355.26437	3.8
359.29773	1.0
365.28439	1.3
367.26300	1.6
369.28000	3.7
371.29501	1.2
383.29410	4.8
385.59689	1.2
397.31168	2.3
425.34323	2.6
447.32291	2.2
461.34018	1.1
472.35577	1.1
473.36554	1.5
499.38635	2.1
511.38126	2.1
512.38733	1.3
517.40210	10.4
522.48175	1.0
531.41992	2.1
549.42993	18.6
581.45697	100.0
582.45764	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	583.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11739	1.5
53.03935	6.9
55.01862	5.9
55.05506	29.5
57.03433	8.9
59.04993	5.8
59.53810	1.7
59.82528	1.5
65.03928	4.6
67.05496	100.0
67.87319	1.7
69.03423	22.5
69.07057	12.7
70.06600	2.6
71.01340	2.3
71.04990	9.0
71.31046	2.8
79.05475	23.1
81.03405	91.5
81.07050	36.9
83.01317	1.8
83.04968	20.8
83.08605	16.3
85.02891	18.1
85.06548	4.5
91.05468	32.2
93.07032	18.7
95.04955	24.5
95.08605	12.3
97.02876	16.5
97.06528	7.2
97.10165	10.2
99.04448	6.3
99.08063	3.4
103.05446	3.2
103.81142	1.7
105.07020	23.7
107.04951	8.4
107.08587	14.1
109.02876	18.6
109.06527	6.1
109.10140	68.6
111.04431	19.5
111.08055	13.7
113.05991	3.3
117.07014	3.5
119.04936	3.3
119.08557	23.4
121.06526	5.0
121.10101	9.1
123.04418	2.2
123.08064	4.6
125.06040	1.7
125.09630	7.7
127.03904	15.3
129.05540	1.9
129.07008	7.6
131.04930	3.0
131.08551	10.4
133.06496	4.5
133.10101	10.3
135.04388	2.2
135.08083	3.9
135.11681	3.2
137.06001	4.4
137.09610	5.1
139.11243	1.6
143.08537	2.6
145.06491	2.9
145.10121	5.3
147.04393	4.1
147.08047	4.0
147.11719	12.5
149.05977	2.8
149.09616	5.1
151.03952	2.2
153.12738	4.2
155.08592	2.7
155.10713	3.3
157.10139	8.8
159.08060	2.8
159.11743	4.3
163.11238	4.9
165.05530	2.9
165.12709	3.8
167.07040	2.0
171.11646	1.9
173.11719	19.4
175.11137	9.6
181.12259	4.2
184.07318	2.7
189.11256	5.4
189.12730	2.1
191.10735	3.2
193.12206	29.7
199.11026	2.0
203.14355	2.9
209.11633	2.6
211.13278	50.3
227.12773	8.2
229.14276	17.8
235.13292	3.7
249.14905	2.4
267.15964	7.2
273.14847	3.9
277.14343	3.3
285.17004	4.6
298.82477	1.7
299.14993	6.3
301.14325	6.6
309.17038	2.4
329.21078	2.5
337.16531	4.2
355.17542	11.7
373.18683	2.1
375.18033	2.0
393.19281	3.4
403.24905	2.7
407.20978	2.6
411.19897	4.5
421.25745	10.2
437.24808	2.0
439.26822	15.3
505.27966	4.6
529.28497	1.9
547.28760	2.3
565.30072	11.0
583.31110	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.2
55.01849	7.4
55.05507	34.8
57.03412	9.5
57.07057	3.0
59.04979	3.1
65.03912	4.8
67.05492	99.1
69.03421	20.1
69.07062	10.6
69.63976	16.7
71.04984	8.9
71.42564	1.6
71.48950	2.0
79.05482	31.9
81.03403	100.0
81.07041	44.6
82.23703	1.9
83.04585	2.2
83.04970	23.2
83.08607	19.1
84.27116	1.8
85.02893	22.5
85.06551	3.0
88.77998	1.7
91.05464	43.5
92.97825	1.7
93.07029	27.4
94.31112	2.0
95.04951	31.0
95.08578	18.1
97.02879	15.6
97.06500	5.7
97.10151	14.7
99.04435	5.0
99.08060	2.6
105.07017	20.0
107.04928	10.7
107.08566	17.8
109.02850	16.6
109.06496	6.4
109.09411	2.9
109.10136	58.3
111.04421	14.5
111.08044	8.3
115.05427	3.7
117.07026	3.8
119.04900	2.6
119.08566	24.1
121.06452	4.1
121.10133	12.1
123.04395	4.6
123.08056	3.3
125.09622	12.3
127.03897	13.2
128.06232	2.5
129.06978	9.5
131.08557	9.7
133.06447	3.4
133.10124	15.0
135.08003	2.4
135.11676	3.4
137.09589	4.1
142.07761	4.3
143.08531	4.0
145.06485	2.0
145.10074	7.9
147.04347	2.9
147.11699	12.8
149.09590	7.4
149.13181	2.2
155.08456	3.1
155.10509	4.6
157.06520	2.1
157.10129	12.4
159.11697	3.1
161.09590	3.3
163.11166	3.7
165.12663	4.5
169.10132	3.3
171.11615	4.8
173.04507	2.1
173.09515	2.3
173.11740	19.8
175.11157	7.9
183.11702	1.9
189.11150	8.0
189.12720	4.2
193.12219	30.0
199.14752	2.7
203.14198	2.0
211.13243	44.3
227.12715	7.9
229.14351	10.7
235.13278	3.8
267.15829	9.8
277.14444	2.8
285.17035	4.4
299.14832	8.6
301.14304	5.0
309.17001	2.3
337.16446	4.0
355.17429	11.0
373.18793	3.3
421.25668	5.0
439.26993	12.3
505.27835	4.7
529.28693	2.3
547.28558	2.6
565.29919	9.3
583.30902	79.6
583.39081	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	583.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.2
55.01856	6.8
55.05509	24.5
57.03417	7.7
59.04986	4.3
61.90324	1.3
63.54659	1.5
65.03917	3.3
67.05494	100.0
67.69305	1.4
69.03418	24.8
69.07046	6.5
71.04988	7.7
71.70166	1.8
79.05479	25.9
81.03403	89.3
81.07040	35.2
82.03722	1.7
83.04969	16.6
83.08600	22.0
85.02894	19.9
85.06518	2.4
87.04409	1.9
91.05460	29.8
93.07032	19.0
95.04957	21.0
95.08590	12.8
97.02885	18.6
97.06506	6.5
97.10161	9.6
99.04441	6.3
103.05396	2.0
105.07011	22.6
107.04955	6.4
107.08578	10.7
109.02853	18.7
109.06497	7.1
109.10136	62.4
111.04435	13.5
111.08031	11.1
113.06004	2.0
115.05468	2.5
117.07000	6.1
119.04937	2.6
119.08571	21.5
121.06486	4.4
121.10117	9.2
123.04419	5.0
123.08036	1.8
123.11693	2.7
125.05985	3.1
125.09573	7.2
127.03899	15.1
129.05504	1.4
129.06955	8.6
131.04912	1.6
131.08548	9.7
133.06477	3.8
133.10095	8.0
135.04472	1.4
135.08020	2.4
135.11690	5.1
137.05911	2.8
137.09589	4.7
142.07704	3.3
143.08545	3.2
145.06396	2.1
145.10092	3.3
147.04416	2.9
147.08066	2.6
147.11699	9.7
149.05933	3.0
149.09596	5.6
151.11186	1.8
153.12791	2.3
155.10661	4.4
157.10110	6.1
159.11716	2.9
161.09677	1.6
161.51759	1.7
163.11168	6.8
165.09164	2.0
165.12767	4.3
166.71336	1.4
167.07027	2.1
171.11722	3.0
173.04482	2.1
173.09528	2.4
173.11739	15.5
173.13147	3.2
175.11130	11.8
184.07381	3.3
189.11183	6.3
189.12726	2.6
191.10637	2.8
193.12212	29.1
209.13339	2.0
211.13261	42.6
211.15166	2.8
227.12759	6.6
229.14331	13.6
235.13255	2.5
255.11345	5.0
267.15952	9.3
273.14804	1.8
277.14307	1.8
283.10736	2.2
285.17020	2.8
299.14868	5.6
301.14359	4.1
319.15369	2.2
337.16415	2.5
355.17453	13.1
373.18936	2.7
411.20132	3.7
421.25888	5.9
439.26947	14.2
505.27982	2.2
547.29156	2.3
565.29773	8.4
583.30939	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03550	1.7
53.03934	3.3
55.01860	2.4
55.05505	9.7
57.00381	1.5
57.07067	10.5
59.04983	2.2
65.03912	1.7
67.05502	15.4
69.03423	4.4
69.07051	8.1
69.46999	7.8
69.47428	8.9
73.43028	1.5
79.05484	15.4
81.07041	23.3
83.04978	3.3
83.08596	3.8
85.06522	4.7
91.05463	23.8
93.07034	28.6
95.04946	8.9
95.08595	28.7
97.06511	2.8
103.05454	1.8
105.07022	36.5
107.04949	6.2
107.08588	23.9
109.06512	6.8
109.10141	14.4
115.05492	2.9
117.06995	7.3
119.08570	36.9
121.06490	4.6
121.10131	25.4
122.07229	1.6
123.08041	17.9
123.11724	5.4
125.05987	2.3
128.06241	5.5
129.06960	8.0
130.07764	2.7
131.08540	17.1
133.06464	2.4
133.10114	21.1
135.08061	7.5
135.11662	9.6
137.09579	8.6
141.07004	3.5
142.07774	11.4
143.08539	17.2
144.09332	4.6
145.10109	24.2
147.08035	20.5
147.11652	7.9
149.09665	3.0
151.07535	24.3
153.07018	2.1
154.07747	2.0
155.08583	7.5
156.09305	9.2
157.10104	30.5
158.10875	3.1
159.08069	3.3
159.11678	12.6
161.09650	3.0
161.13263	6.7
163.11180	6.3
165.06972	2.9
165.09105	32.2
167.08588	6.3
167.10725	3.7
168.09315	3.5
169.10094	13.3
170.10852	5.2
171.11673	20.2
173.09637	4.0
173.13251	8.3
175.11177	1.9
175.14821	4.5
177.09270	2.5
179.08551	4.6
180.09309	4.0
181.10130	8.7
181.12215	3.1
182.10970	3.3
183.11697	12.9
184.12427	1.8
185.13243	16.2
187.11105	2.3
187.14813	5.0
189.12801	6.3
191.14398	2.9
193.10152	7.4
194.10909	7.1
195.11662	11.9
195.13380	1.5
196.12514	3.1
197.13210	11.7
199.14792	6.7
201.12636	1.7
201.16354	1.8
203.14346	15.0
205.10193	2.6
206.10979	4.7
207.11739	8.0
207.13821	7.0
208.12407	5.3
209.13251	15.3
211.14828	6.6
213.12714	2.3
213.16327	2.4
218.10962	2.6
219.11633	2.0
219.17442	2.9
220.12378	3.4
221.13271	8.6
221.15312	64.8
222.13866	1.9
223.14760	9.5
225.16431	3.9
231.11678	2.2
231.13797	2.0
231.17419	2.9
233.13255	4.2
233.15321	1.9
234.13934	3.8
235.14886	5.1
237.16415	3.8
239.14297	1.9
239.17973	2.1
244.12408	1.8
245.13223	3.8
246.14006	1.7
247.14836	4.8
247.17097	3.3
249.16632	3.7
251.17957	3.3
257.18997	2.2
259.14886	3.2
261.16443	2.7
265.19513	4.0
271.20325	3.4
273.16458	1.9
275.17813	3.7
277.19394	2.5
279.20935	3.2
283.20547	3.8
286.19464	1.9
287.20313	2.3
295.20566	3.4
297.22195	5.4
305.17453	2.0
309.22266	1.9
333.22034	3.0
348.24390	1.8
349.25256	3.8
352.23904	2.2
357.25995	2.3
365.24615	2.7
375.26706	8.3
403.30042	11.7
491.35086	4.0
503.34930	3.7
509.34241	3.5
547.39001	3.1
565.40253	30.6
583.41388	100.0
584.41711	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	583.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41566	2.6
53.03933	5.2
55.05504	19.7
57.07066	6.4
59.04987	2.8
65.03926	6.4
67.05497	30.7
69.03407	10.6
69.07062	29.4
71.04977	4.0
71.71190	5.0
79.05484	36.0
81.07053	49.5
83.04967	10.4
83.08610	13.6
85.06525	8.7
89.06026	3.0
91.04910	5.4
91.05460	61.0
93.07027	79.5
95.04949	19.2
95.08596	47.9
97.06538	9.9
101.42690	2.5
103.05453	4.8
104.08758	2.4
105.07016	99.3
105.07722	5.2
107.04972	4.4
107.08582	73.6
109.06509	12.8
109.10152	33.4
111.08096	4.3
113.09705	3.0
115.05462	4.9
117.07001	23.5
119.08566	96.6
121.06489	7.4
121.10128	78.4
123.08041	17.2
123.11712	6.8
125.05954	3.5
125.09612	7.0
128.06183	13.0
129.06990	22.4
130.07773	8.6
131.08542	52.9
133.06516	2.6
133.10114	60.5
135.08029	13.2
135.11668	22.4
137.09621	13.0
139.11200	4.1
141.06969	9.8
142.07761	33.7
143.08551	46.9
144.09325	7.3
145.06477	3.7
145.10109	75.5
147.08038	13.0
147.11673	25.2
149.09590	19.6
149.13254	5.4
151.07520	11.0
153.06961	6.2
154.07736	5.4
155.08536	23.6
155.10695	2.8
156.09341	22.2
157.10112	70.4
158.10835	4.9
159.08058	11.8
159.11690	41.7
161.09634	8.1
161.13240	10.0
163.11160	10.6
163.14807	2.8
165.06993	10.7
165.09122	12.2
167.08568	13.3
167.10652	51.2
168.09355	7.7
169.10107	32.0
170.10863	7.4
171.11671	44.6
173.09639	7.0
173.13248	34.1
175.11201	8.1
175.14836	16.9
177.09113	2.9
178.07780	2.6
179.08505	14.8
180.09340	7.7
181.10133	19.8
181.12228	6.5
182.10912	16.3
183.11665	39.6
184.12466	9.1
185.13246	23.8
187.11041	3.0
187.14815	11.6
189.12782	8.4
191.08542	4.3
191.14339	12.0
192.09331	7.2
193.10101	15.2
194.10896	14.2
195.11629	31.4
196.12375	8.9
197.13210	24.0
199.14798	25.1
201.16426	9.3
203.14322	8.0
205.10150	6.9
205.15915	4.9
206.10858	12.4
207.11697	27.3
207.13794	7.3
208.12463	7.4
209.13261	32.7
210.14017	6.1
211.14835	9.6
213.12697	3.1
213.16286	3.5
215.14348	8.4
217.10178	5.0
217.15897	11.7
219.11696	10.2
220.12463	7.3
221.13258	21.7
221.15393	35.3
222.14015	8.8
223.14738	17.9
225.12730	3.9
225.16435	7.8
227.14307	4.0
230.10960	3.7
231.11609	9.0
232.12494	6.7
233.13216	14.5
233.15416	22.7
234.13956	6.1
235.14719	12.6
236.15675	3.5
237.12721	3.5
237.16389	10.7
239.17906	6.0
243.11546	3.6
244.12483	3.3
245.13271	9.6
246.14058	7.0
247.14743	13.0
249.16397	10.8
250.17259	2.7
251.17935	6.2
255.17430	2.9
257.19049	5.6
259.14731	4.2
260.15543	7.3
261.16452	8.8
263.17969	6.4
265.19559	6.3
267.17404	4.8
269.19128	4.5
271.14890	4.2
271.20459	3.0
273.16351	6.7
274.17026	4.8
275.17831	12.5
277.15930	2.4
277.19522	4.7
283.20596	16.4
284.15768	3.4
287.17703	5.7
289.19476	7.4
291.20926	2.6
293.18884	3.9
295.20645	4.3
299.20160	4.8
301.19617	4.1
307.20508	3.7
329.22678	3.6
331.24170	7.3
347.24106	2.9
349.25290	6.0
359.23822	3.2
361.25244	4.8
365.25241	2.7
375.26749	4.8
403.29709	2.9
412.27612	2.7
491.35104	11.5
503.35062	3.4
547.39105	3.7
565.40247	20.0
583.41357	100.0
584.41821	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	583.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.9
52.82879	1.5
53.03938	5.0
55.05506	14.7
57.07071	11.0
59.04983	4.7
60.81404	1.7
63.91726	1.6
65.03928	4.1
65.60335	1.5
65.88938	1.5
67.05498	28.1
69.03419	10.0
69.07062	18.9
69.51354	15.4
77.10610	1.8
79.05486	32.0
81.07050	42.0
83.04973	6.9
83.08597	10.4
85.06522	8.6
90.65148	1.9
91.05462	54.9
91.06038	3.4
93.07028	63.6
95.04948	12.7
95.08590	38.0
97.06537	7.5
97.10165	3.3
98.21393	3.1
103.05444	5.7
105.07012	89.9
107.08582	46.4
109.06519	12.0
109.10129	25.6
111.08102	4.4
115.05471	4.2
117.07000	21.2
119.08564	87.9
121.06512	7.3
121.09254	2.9
121.10130	48.3
121.10970	2.8
123.08056	21.0
123.11707	5.5
125.05991	4.1
125.09618	2.2
128.06210	15.6
129.06973	18.5
130.07790	7.6
131.08553	37.8
133.06470	4.3
133.10100	43.1
133.11006	3.1
135.08015	12.8
135.11676	16.9
137.09592	12.1
139.11217	1.8
141.06955	11.4
142.07758	27.9
143.08546	48.0
143.09628	3.2
144.09338	10.1
144.22966	1.7
145.10104	54.4
145.11215	3.5
147.08054	19.8
147.11667	16.3
149.09586	9.2
149.13222	4.2
150.92570	1.6
151.07513	19.0
151.11208	2.2
153.06984	6.5
154.07758	4.6
155.08531	21.3
156.09319	22.2
157.10101	67.4
157.11401	3.6
158.09734	1.5
158.10886	11.6
159.08092	5.7
159.11678	30.8
161.09616	4.9
161.13280	8.9
161.16646	2.0
163.11139	9.7
165.07059	7.8
165.09094	40.5
166.07770	3.9
167.08501	13.2
167.10632	16.3
167.11871	2.0
168.09377	10.3
169.10110	33.9
169.11472	2.3
170.10915	11.8
171.11647	35.6
173.09593	4.2
173.13232	27.7
174.10529	2.0
175.11201	4.6
175.14801	9.7
177.09164	2.0
177.12758	2.3
179.08528	21.5
180.09300	8.8
181.10114	21.4
181.12228	7.2
182.10883	10.1
183.11678	30.1
184.12468	6.4
185.09686	2.9
185.13217	22.0
186.14015	2.7
187.11240	4.8
187.14809	8.2
188.79395	1.6
189.12721	8.9
191.08554	2.4
191.10857	2.0
191.14287	10.6
192.09325	7.3
192.10898	1.7
193.10118	17.1
194.10883	13.9
195.11676	27.9
196.12491	6.6
197.13217	25.7
198.13995	2.3
199.11301	2.0
199.14815	19.2
201.12723	3.0
201.16353	3.9
202.51019	1.8
203.08476	2.4
203.14299	17.3
204.09346	2.9
205.10159	6.7
205.15846	1.8
206.10976	11.6
207.11711	23.9
207.13837	9.9
208.12498	7.6
209.13239	29.0
210.14105	5.3
211.11185	2.6
211.14822	13.0
213.12790	3.1
213.16348	6.7
215.14323	3.1
216.09340	1.7
217.10153	6.2
217.15929	9.5
218.10950	2.8
219.11714	9.9
220.12350	9.2
221.13264	19.7
221.15395	67.1
222.14047	6.5
223.14793	15.4
224.15414	1.9
225.16426	6.9
229.15979	2.1
230.11002	2.5
231.11693	10.6
231.17474	3.8
232.12498	5.1
233.13283	13.5
233.15445	4.5
234.13834	2.4
235.14818	13.8
236.15782	1.7
237.16394	9.2
239.14163	2.2
239.17984	4.0
241.15782	2.3
243.11588	3.1
244.12584	4.6
245.13293	8.6
246.13898	7.7
247.14891	9.6
247.17116	2.5
248.15578	2.6
249.16284	12.7
250.17215	2.9
251.17941	7.2
253.19615	3.1
255.17297	2.3
256.12756	2.0
257.13351	4.0
257.19052	6.3
258.14111	3.1
259.14911	8.2
260.15707	6.6
261.16324	11.1
263.17996	6.5
265.19519	7.2
269.19006	4.3
270.13910	2.0
271.14850	3.0
271.20602	2.3
273.16394	6.7
275.17853	13.4
277.19574	2.5
279.21075	2.9
281.18961	2.7
283.20541	17.6
287.20279	3.8
289.19580	4.0
291.21103	3.1
293.19138	2.1
295.20569	4.5
297.16309	3.0
297.22171	5.5
299.17474	2.4
300.20953	2.9
301.19342	2.8
309.21948	2.7
329.22690	2.1
331.24234	5.6
333.22037	2.0
343.24365	2.5
345.25906	2.3
349.25214	7.8
352.23761	2.3
357.25803	3.5
359.23761	2.2
361.25275	2.8
365.24911	2.6
375.26901	5.5
403.29877	4.7
427.30026	2.8
491.35068	6.0
503.35168	5.1
529.70569	1.9
547.39362	2.5
565.40375	26.8
566.41553	2.0
583.41431	100.0
584.41827	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	583.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55326	2.1
53.03933	6.0
55.05502	20.8
57.07066	13.3
59.04988	6.0
65.03925	3.1
67.05491	30.8
69.03420	8.9
69.07052	25.1
77.03907	3.0
79.05478	28.5
81.03407	3.4
81.07040	37.1
83.04961	9.6
83.08598	11.7
85.06529	8.3
91.05466	50.4
93.07029	70.2
95.04949	16.8
95.08593	41.0
97.06500	5.3
98.21490	4.4
103.05473	4.6
105.07008	90.4
105.07716	4.5
107.08572	50.5
109.06510	12.3
109.10134	25.8
111.08084	3.7
115.05432	6.4
116.06255	2.6
117.07001	22.5
119.08560	100.0
120.08914	2.7
121.06483	5.6
121.10125	66.0
123.08046	17.5
123.11675	6.2
125.05988	3.9
125.09639	3.6
128.06172	14.1
129.06973	20.1
130.07785	9.8
131.08546	42.6
133.06477	2.8
133.10114	45.8
135.08018	11.4
135.11696	18.1
137.09598	13.3
139.11177	3.8
141.06970	10.1
142.07755	34.4
143.08539	59.4
144.09302	12.7
145.10098	69.2
147.08026	20.1
147.11671	18.9
149.09575	10.5
151.07538	19.4
153.06961	6.6
154.07756	7.4
155.08543	24.6
155.96268	2.2
156.09320	26.2
157.10106	65.6
158.10909	12.1
159.08032	4.9
159.11691	32.5
161.09581	5.4
161.13286	9.4
163.11191	7.7
165.07004	11.9
165.09090	35.8
166.07738	4.5
167.08574	15.9
167.10638	16.4
168.09366	12.9
169.10094	38.9
170.10873	10.8
171.11668	39.0
173.09630	4.0
173.13232	32.4
175.11206	3.7
175.14827	12.6
178.07799	4.6
179.08551	23.1
180.09344	10.6
181.10107	19.6
181.12239	8.3
182.10954	11.2
182.62418	2.5
183.11674	35.7
184.12460	6.8
185.09541	4.0
185.13213	21.6
186.13852	2.2
187.11212	4.4
187.14856	11.1
189.12708	5.2
191.08559	3.9
191.14261	12.2
192.09340	7.1
193.10104	16.8
194.10870	16.2
195.11682	34.1
196.12451	9.0
197.13235	24.8
199.14778	21.2
201.12688	5.3
201.16449	4.3
203.14282	14.6
205.10205	5.1
206.10927	8.1
207.11705	25.7
207.13762	9.0
208.12462	8.4
209.13219	32.0
209.15222	3.5
210.13997	7.9
211.14818	13.7
213.12715	2.9
217.10179	4.3
217.15891	15.3
218.10945	5.5
219.11710	8.0
220.12518	8.0
221.13251	20.0
221.15388	71.2
222.13998	4.2
223.14769	19.9
224.15639	4.9
225.16315	8.1
227.14355	4.6
229.10120	3.2
229.15912	3.4
230.10742	3.4
231.11646	8.4
231.17534	3.9
232.12526	5.1
233.13191	11.9
233.15440	8.1
234.13979	5.3
235.14767	15.8
236.15630	3.3
237.12671	3.0
237.16464	7.7
239.18005	5.0
243.11708	4.0
245.13231	10.6
246.14075	7.0
247.14783	11.8
248.15616	2.8
249.16400	10.3
250.17044	4.5
251.18019	10.4
257.13190	2.6
257.19046	9.2
258.13983	4.5
259.14886	7.2
260.15649	8.1
261.16299	16.1
262.17038	2.7
263.17969	10.3
265.19440	11.3
269.18866	4.6
270.54306	2.4
271.14755	4.2
273.16318	6.5
274.17105	4.5
275.17889	12.8
277.19568	5.3
281.18802	2.9
283.20554	22.7
286.19379	2.8
288.18442	2.4
289.19556	6.4
291.21002	4.1
293.19141	3.6
295.20587	5.5
297.22168	3.9
300.20883	3.2
301.19223	3.0
307.20633	4.9
309.22150	2.8
331.24271	5.0
339.21027	2.7
349.25269	9.6
361.25693	2.7
375.26730	6.3
403.29929	8.0
491.34973	8.1
503.35052	3.2
547.39313	3.1
565.40283	16.7
583.41388	94.1
584.41772	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	583.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.1
55.01854	4.5
55.05271	3.7
55.05505	38.1
57.07047	9.0
59.04979	4.6
65.03252	3.1
65.03920	5.5
67.05499	49.9
69.03407	10.7
69.07056	31.1
71.04971	7.3
74.09684	3.8
79.05480	44.9
81.00245	2.9
81.03395	8.7
81.06597	5.5
81.07045	60.7
82.07391	3.8
83.04970	15.9
83.08609	28.6
84.08944	3.2
85.02895	7.1
85.06514	9.9
91.04929	4.8
91.05467	67.7
93.07030	74.1
95.04945	21.0
95.08582	52.6
95.58838	3.2
97.06506	26.5
97.10125	3.5
98.20711	13.5
99.04408	10.2
103.05427	3.2
105.07012	93.3
107.04915	6.1
107.08572	79.7
109.06507	20.9
109.10134	41.3
111.08083	4.4
113.09612	6.7
115.05437	7.0
117.06989	22.5
119.08556	100.0
120.08858	5.1
121.06465	7.5
121.10130	72.3
123.08039	18.9
123.11678	10.8
124.20806	3.4
125.09623	15.7
127.05550	3.6
128.06201	17.3
129.06978	24.7
130.07755	5.4
131.08537	45.1
133.06421	3.9
133.10104	63.1
135.08017	9.4
135.11650	25.0
137.09598	11.3
139.11139	11.0
141.06949	12.3
142.07758	23.7
143.08534	52.1
144.09265	9.3
145.06416	4.8
145.10110	68.5
147.08043	5.3
147.11636	29.4
149.09569	16.5
149.13182	5.2
151.07492	11.5
153.06955	7.8
154.07715	5.8
155.08575	23.7
155.10623	10.6
156.09291	19.6
157.10097	72.3
158.10803	9.6
159.08002	6.7
159.11661	37.7
161.09596	7.5
161.13206	10.6
163.11142	7.8
165.07022	8.0
165.09091	10.7
165.12709	6.3
166.07800	5.8
167.08557	18.5
167.10661	23.3
168.09253	5.9
169.10083	37.3
170.10802	12.6
171.11664	46.2
172.12265	4.0
173.09608	4.9
173.13232	33.6
175.11147	9.6
175.14796	12.4
179.08524	14.9
180.09271	10.3
181.10060	24.0
181.12225	21.8
182.10818	12.8
183.11674	33.5
183.13255	5.3
184.12357	4.5
185.13245	29.3
187.14781	12.6
189.11217	6.3
189.12727	4.2
191.08566	4.1
191.14264	11.5
192.09320	8.1
193.10138	21.3
194.10860	17.2
195.11661	31.9
196.12360	8.0
197.13219	46.1
199.14853	21.1
201.16357	12.0
203.14317	7.4
205.10165	4.5
206.10832	7.7
207.11656	25.3
207.13498	6.3
208.12340	10.4
209.13245	34.7
211.14807	15.9
213.16290	9.3
217.10007	5.0
217.15837	7.9
218.10922	4.3
219.11563	12.1
220.12389	9.3
221.13161	26.6
221.15334	42.2
222.13887	9.1
223.14769	20.1
225.14624	29.5
225.16196	6.0
231.11632	6.5
231.17357	4.1
232.12216	7.1
233.13153	9.0
233.15346	21.8
234.13852	8.5
235.14763	15.8
237.16348	10.3
239.17892	8.8
243.11548	6.9
244.12335	4.4
245.13161	11.2
246.13893	8.6
247.14706	12.9
247.17001	7.2
249.16330	13.7
250.16823	4.6
251.17876	13.3
253.19437	3.8
257.13162	5.3
257.18881	7.7
259.14871	7.3
260.15604	7.7
261.16339	12.6
263.17911	9.2
265.19409	9.5
271.14771	5.9
272.15356	4.9
273.16211	5.4
273.18857	4.4
275.17715	6.8
277.19431	14.9
279.21066	5.7
281.18808	3.9
283.20477	6.0
287.17700	7.3
291.21054	5.0
295.20526	8.7
299.17627	5.6
311.17633	3.5
317.22501	8.3
329.22290	5.2
331.24222	5.7
341.22641	4.3
343.24167	14.2
345.25684	8.8
349.25156	7.7
357.25531	4.4
363.26819	5.1
365.24594	5.1
397.28391	7.3
491.35281	9.7
494.02649	3.5
547.38940	6.3
565.40320	39.3
567.85638	3.3
583.32031	6.8
583.41339	96.2
584.42169	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	583.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.05504	6.0
57.07064	7.7
58.47718	1.0
59.04981	3.8
62.90553	0.8
65.03915	1.5
67.05492	13.6
69.03417	8.7
69.07057	7.5
69.58678	1.3
69.59079	7.1
79.05478	12.8
81.03421	0.9
81.07040	18.2
83.04976	2.7
83.08595	3.4
85.06528	3.6
91.05457	23.3
93.07023	31.8
95.04942	8.0
95.08585	21.9
97.06498	3.3
103.05472	2.4
105.04539	1.6
105.07008	43.2
107.04874	1.6
107.08575	22.3
109.06493	6.9
109.10135	13.3
111.08058	5.3
115.05408	2.4
116.06213	1.7
117.07005	7.6
119.08557	41.7
121.06491	5.8
121.10122	19.8
122.07236	2.3
123.08056	15.3
123.11692	3.1
125.05976	2.3
128.06189	5.4
129.06992	5.1
130.07773	3.5
131.08545	17.0
132.18048	0.9
133.06485	1.8
133.09169	1.8
133.10109	25.5
135.08015	11.2
135.11678	10.6
137.09586	16.7
141.06923	2.7
142.07755	9.1
143.08551	14.9
144.09341	4.4
145.06473	1.8
145.10088	31.0
147.08026	22.9
147.11671	8.4
149.09558	3.3
149.13303	1.2
151.07524	9.0
151.11163	2.6
153.06918	1.2
155.08492	5.6
156.09338	7.2
157.10095	21.3
158.10860	1.1
159.08032	2.2
159.11655	16.0
160.12457	1.0
161.09604	5.2
161.13213	6.3
163.11131	4.5
163.14674	1.0
165.06921	2.3
165.09084	42.3
166.07811	1.1
167.08517	3.1
168.09320	2.3
169.10103	8.0
170.10892	4.3
171.11684	12.6
172.12444	1.7
173.09596	2.1
173.13251	8.1
174.10342	0.9
175.11206	2.1
175.14809	5.0
177.12637	1.0
179.08484	4.0
180.09195	2.0
181.10086	5.3
181.12215	4.3
182.10875	3.2
183.11676	9.2
184.12428	1.5
185.09628	1.6
185.13219	8.4
187.11183	1.1
187.14755	6.9
189.12712	3.9
191.14320	1.9
192.75682	0.8
193.10109	4.5
194.10831	2.5
195.11653	7.1
195.13474	1.5
196.12498	2.1
197.13283	7.1
199.11063	1.3
199.14835	2.4
201.12746	2.1
201.16293	2.5
203.14297	17.8
205.10060	1.2
206.10927	2.0
207.11673	4.6
207.13768	5.1
208.12369	1.8
209.13225	6.7
209.14906	1.2
210.13963	1.3
211.14790	4.2
213.16287	2.4
215.14313	1.9
217.15714	0.9
219.11659	2.3
220.12410	1.8
221.13452	3.7
221.15318	100.0
223.14778	4.0
227.14268	1.3
231.11633	1.2
233.13185	2.3
233.15422	1.6
235.14772	2.6
237.16457	2.9
239.14273	1.3
239.18080	1.1
243.11856	1.0
247.14709	1.7
247.16974	1.6
249.16245	1.0
250.58998	1.0
253.16008	1.6
253.19527	1.5
259.14920	1.5
261.16339	1.4
263.17966	1.5
271.20499	1.0
275.17841	2.1
277.19513	1.6
287.20053	1.9
289.19717	1.0
299.19980	3.1
313.21490	1.4
325.21762	1.3
351.22678	1.0
352.23837	2.0
357.25632	1.3
365.24545	2.1
367.26367	1.7
377.24521	1.1
397.27298	1.3
407.29111	1.3
437.30615	2.1
473.33994	5.2
491.34955	6.4
503.34955	3.3
565.40210	5.3
583.32111	1.6
583.41278	21.9
585.79492	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	3.2
55.05500	1.1
55.19285	0.6
58.46751	0.7
61.02912	1.4
69.03414	2.5
70.06587	0.8
71.03934	2.2
71.04974	1.5
79.05473	1.8
81.03397	2.4
81.07021	1.1
85.02904	5.6
85.67877	0.7
86.09669	1.4
86.38092	0.6
91.05463	2.0
93.07040	4.5
95.04943	2.4
95.08602	0.8
97.02855	2.9
99.04409	2.1
103.05447	31.4
105.07023	1.1
107.08554	2.1
109.02842	1.3
121.10109	6.1
121.94456	0.7
123.04388	1.2
127.03896	1.8
131.04903	100.0
131.08545	1.5
136.07512	1.0
137.05969	4.3
144.05618	1.3
145.04976	1.0
145.06398	0.8
147.04478	0.8
149.09613	1.2
153.05443	1.7
159.07976	1.1
163.07516	54.0
164.07031	1.2
167.06993	2.4
167.10658	1.6
172.05156	1.5
173.06059	1.2
175.07501	1.3
180.08693	1.3
183.06508	2.0
184.07300	2.2
189.05458	1.3
191.06993	0.9
203.07002	0.9
206.05765	0.9
207.10103	1.2
218.02669	1.0
218.05682	2.0
221.08047	3.4
233.08054	14.7
235.09697	1.8
251.09076	5.1
262.98502	0.8
263.09119	12.8
281.10233	2.3
311.14819	2.4
327.53076	0.7
373.30008	0.7
397.83127	0.7
465.13562	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.03934	0.4
55.01868	1.6
60.22523	0.2
61.02914	0.4
69.03423	0.6
69.80964	0.2
70.06597	0.5
70.62900	0.9
71.04974	0.5
74.74487	0.2
79.05462	0.2
81.03405	0.4
85.02894	2.5
86.09695	0.4
91.05466	0.4
95.04968	1.2
95.88680	0.2
97.02889	0.8
99.04432	1.0
103.05450	35.8
104.07049	0.3
105.07025	0.4
107.04932	0.5
109.02846	0.3
109.06490	0.3
115.05399	0.3
117.55138	0.3
121.10119	0.3
123.04420	0.4
127.03920	0.6
129.11937	0.3
131.04903	100.0
132.05229	0.7
133.06439	0.7
137.05951	1.7
145.02766	0.3
145.04976	0.6
147.04446	0.3
152.06979	0.2
155.07016	0.3
161.05951	0.7
163.07510	47.2
164.07857	0.6
165.01848	0.3
167.06989	1.3
172.05145	0.6
173.06013	0.4
177.05508	0.4
183.06433	0.7
184.07326	0.3
189.05428	1.1
191.06964	0.3
200.04684	0.3
205.08521	0.3
206.05637	0.7
207.06572	0.3
207.10201	0.6
218.05666	1.1
221.08112	1.8
225.07483	0.3
233.08034	8.3
235.09566	0.6
246.14738	0.2
251.09097	2.2
263.09058	2.8
285.75470	0.2
299.05527	1.2
299.10599	0.3
409.66199	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	584.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	22.3
62.39396	10.5
64.22076	11.2
66.73998	11.6
67.05511	18.6
67.31908	12.0
79.05496	41.7
79.44839	12.1
81.07050	40.6
81.55032	12.9
83.08607	20.8
89.06032	48.9
91.05459	49.4
93.07035	58.2
93.07591	12.6
95.04945	17.2
95.08594	41.8
103.92268	13.0
105.07046	72.4
107.08584	51.3
109.10116	24.0
117.07005	28.3
119.08582	89.9
120.08904	25.1
121.10140	37.9
123.08033	21.8
129.06984	16.0
131.08559	58.5
133.08563	21.3
133.10149	43.8
134.10484	12.5
135.11693	22.6
139.55191	12.9
143.08525	36.2
145.06480	14.7
145.10100	62.7
155.08585	16.3
156.09302	15.4
157.10141	51.2
158.10674	17.7
159.11707	45.7
160.08867	38.9
165.09076	43.8
169.10074	20.6
171.11705	26.0
173.13185	15.5
182.12611	14.7
183.11713	41.4
185.13159	17.5
187.14725	19.3
193.12082	14.9
195.11708	16.5
195.29367	13.2
203.14359	16.2
207.11734	16.0
210.13515	16.0
221.15363	55.9
222.15742	20.4
232.09369	13.0
314.99631	13.4
352.23831	19.5
377.16537	13.6
381.42490	13.4
482.81686	17.9
492.35471	60.5
504.35843	33.2
584.41785	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.6
55.05507	0.8
67.05503	1.3
69.03432	0.6
69.07057	0.8
70.06604	0.6
70.83685	0.3
71.05015	0.6
71.71021	0.7
79.02817	0.4
79.05484	1.2
81.03404	0.8
81.07047	1.3
82.36028	0.4
83.04967	0.8
85.02898	1.2
85.06583	0.5
91.05486	1.9
93.07050	1.4
95.04955	0.8
95.08610	1.6
97.02859	0.6
97.06483	0.5
101.14629	0.4
103.05453	0.6
105.07018	3.0
107.04956	0.8
107.08588	1.4
109.02863	0.7
109.10163	0.8
111.04449	0.5
115.05447	0.7
117.06979	0.4
119.04951	1.0
119.08562	1.0
121.06441	0.6
121.10157	0.9
123.04457	0.6
127.03909	0.4
129.06989	0.5
131.04863	0.6
133.06453	2.0
133.10095	0.6
135.04358	0.5
135.11679	0.5
136.07561	1.0
137.05927	1.7
145.02867	0.4
145.06499	0.5
145.10153	1.0
147.04410	2.0
147.11649	0.5
149.05988	0.8
159.11632	0.5
161.05972	3.6
163.03857	0.9
167.07002	0.8
173.13361	0.4
177.05525	1.5
181.04930	2.0
188.71342	0.4
199.07469	0.4
201.03719	2.7
201.05359	0.5
203.05251	5.0
209.08006	1.7
221.08087	0.5
225.07640	0.8
242.05721	0.9
257.12973	0.7
285.03824	0.8
369.13358	0.7
388.15201	0.8
405.22427	8.8
407.23990	22.3
408.24561	0.7
409.09161	3.6
561.08734	0.4
585.28790	100.0
585.90228	0.7
586.29395	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	586.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.01849	2.2
55.05479	0.7
57.03409	0.6
61.02903	0.8
62.98272	0.6
65.03912	2.4
67.05506	1.1
68.52670	0.5
69.03419	1.0
69.07048	1.1
70.06596	3.1
70.46636	2.7
71.04980	1.4
75.04461	3.6
77.03912	0.7
78.04685	2.1
79.05468	2.6
81.03387	1.7
81.07034	1.6
84.08134	0.8
85.02899	5.6
86.09702	0.7
87.04453	0.7
89.03898	1.5
89.06015	1.4
91.05470	11.5
93.03387	11.2
93.07024	4.7
95.04962	5.1
95.22874	0.6
97.02891	1.3
97.06507	3.2
102.05473	0.6
103.05460	6.1
105.03392	1.3
105.07026	5.3
106.04161	24.1
107.04937	2.0
109.02866	1.0
109.06494	1.3
111.04374	0.7
115.05434	1.0
117.03379	0.8
118.04118	1.3
119.04916	2.5
119.08574	0.9
121.06491	29.1
122.03589	0.9
123.04406	1.0
123.08038	1.5
124.05171	1.0
125.05981	8.4
127.03889	1.6
131.04890	2.3
133.02820	3.4
133.06480	4.6
134.03587	4.5
135.04378	0.9
135.08041	1.0
137.05943	6.4
138.06755	1.5
139.07512	2.4
145.02832	0.9
147.04407	3.7
147.11771	0.6
148.05112	1.9
149.05957	42.7
151.07484	2.4
153.05409	2.2
153.09102	11.1
161.05974	8.1
163.03827	1.6
163.07512	3.1
165.05473	1.6
167.07045	0.7
177.05437	23.5
179.06967	1.8
181.08577	19.1
191.07001	13.1
193.08565	6.8
209.08061	100.0
210.08440	2.7
255.46762	0.7
339.12292	1.0
341.13559	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75533	0.7
51.83321	0.7
55.01857	2.6
55.05495	4.3
57.03416	1.0
61.02894	1.1
67.05502	5.6
69.03426	1.4
69.07060	38.9
71.04972	3.0
71.70272	1.2
73.06529	1.5
79.05499	6.7
81.03396	1.3
81.07046	12.7
83.04962	2.7
83.08589	0.8
85.02886	5.7
85.06536	3.0
85.07613	1.3
86.09721	1.2
91.05458	1.2
93.07034	7.5
94.12003	0.9
95.08595	9.5
97.02885	2.3
97.06509	6.7
97.10169	1.5
99.08089	2.1
105.07031	0.9
107.08564	2.2
109.02908	1.0
109.10134	5.3
110.06012	0.9
111.11718	2.2
115.07564	1.6
121.10139	9.0
123.11680	1.7
125.09612	6.0
127.03945	1.8
135.11700	3.7
136.06572	0.8
137.05971	1.2
139.11171	2.7
147.04401	2.9
149.13268	2.5
163.03920	1.3
164.07106	1.0
177.05437	1.2
190.67473	0.8
191.17857	4.1
206.07736	0.9
209.18990	13.1
227.20032	100.0
228.20345	1.0
245.21121	6.7
291.79062	0.8
389.25754	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
55.05259	0.6
55.05493	3.1
57.03421	0.9
57.07062	0.7
61.02908	0.5
62.44073	0.3
67.05494	3.1
69.03415	1.5
69.07056	26.3
70.85833	1.0
71.04981	1.5
73.06537	0.9
78.10500	0.3
79.05474	3.8
81.03423	0.4
81.06603	0.6
81.07042	7.0
83.04973	2.3
83.08603	1.0
83.89825	0.3
85.02905	2.9
85.06521	1.3
91.05463	0.6
93.07030	6.6
95.04976	0.5
95.08587	6.2
95.45979	0.3
97.02882	0.8
97.06516	3.6
97.10159	2.5
99.04415	0.3
99.08103	0.5
107.04865	0.4
107.08574	1.5
109.02897	0.3
109.10143	2.4
111.11694	2.0
113.09657	0.5
121.10129	6.9
123.11700	0.8
123.73403	0.3
125.09624	1.9
127.03859	0.4
135.11639	2.2
137.13235	0.3
139.11168	3.7
145.04922	0.6
147.04399	0.7
149.13222	1.2
161.58081	0.3
163.03941	0.3
178.93410	0.4
191.17903	1.2
209.18954	3.4
220.15869	0.4
227.20020	100.0
228.20392	2.7
237.36369	0.3
245.21097	7.9
389.25388	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.9
55.01859	0.5
55.05489	0.5
55.86916	0.3
57.03414	1.4
58.14549	0.4
65.03919	0.4
67.05482	0.7
69.03417	4.4
69.07033	0.9
71.01332	0.8
71.04964	1.5
71.15208	0.7
79.05486	2.3
81.03408	2.4
81.07034	1.1
81.38990	0.4
83.04961	0.5
85.02889	3.7
89.03901	4.7
89.97795	0.5
91.05441	1.9
92.84143	0.4
93.07021	1.4
95.04946	0.9
95.08588	1.1
95.37143	0.3
97.02875	8.9
97.06507	0.9
99.04406	0.7
101.02312	0.3
103.05422	0.9
105.03394	0.7
105.07009	1.7
107.04934	2.2
107.08570	0.7
109.02856	1.2
115.05453	0.9
117.03349	7.3
117.06982	1.3
119.04907	0.8
119.08565	0.8
121.06439	0.8
123.04414	0.4
123.08034	1.1
127.03893	1.3
128.06224	1.2
129.07002	1.8
131.04886	0.4
131.08586	2.0
133.06474	18.5
133.07480	0.9
135.04391	16.4
135.37457	0.4
137.05957	0.6
141.06927	0.9
142.07764	0.9
143.08533	1.9
144.05640	0.5
145.01688	0.6
145.02829	11.2
145.06439	1.3
145.10098	1.1
147.04346	1.9
147.08040	0.7
149.05930	0.8
151.03931	0.6
152.06133	0.4
153.05443	1.0
155.08534	1.0
157.06514	0.7
157.10069	1.2
158.07251	1.0
159.08035	2.5
161.05942	1.7
163.03879	100.0
164.04208	1.7
164.07117	0.5
165.05498	0.8
167.07019	1.5
167.08493	0.9
168.09413	0.4
169.06506	0.4
173.05952	1.8
173.09610	3.7
174.06721	0.7
175.07552	2.3
177.05431	2.6
177.09030	0.4
179.07047	1.5
179.19621	0.4
181.04936	3.7
183.08002	0.9
184.08807	0.5
185.05928	1.0
185.09593	1.5
187.07542	4.4
187.11147	0.9
188.08295	1.1
189.05418	1.0
189.09091	1.3
189.12695	0.7
191.07040	1.8
191.10654	1.1
193.08600	0.7
197.09644	0.6
199.11179	1.3
201.05418	1.1
201.09068	4.9
202.09798	0.5
203.06963	0.9
203.10619	1.6
204.07928	0.5
207.06337	0.7
213.09125	1.4
215.06917	0.5
215.10666	1.6
216.07747	0.9
217.12204	1.2
219.10129	20.7
221.08188	0.7
221.11734	1.5
227.10593	2.1
229.12334	0.6
230.09335	1.1
231.10092	0.6
233.11717	0.6
235.13377	0.6
245.11696	9.2
247.13252	3.0
263.12744	35.7
264.12988	0.6
281.96414	0.5
307.08212	2.6
325.09137	13.2
425.17545	0.6
474.23660	0.4
587.31580	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
53.56357	0.4
57.03420	0.9
57.78172	0.4
57.80288	0.4
62.36082	0.4
67.05489	0.8
69.03417	3.0
69.07045	0.8
71.01348	0.5
71.04968	0.8
71.70629	0.8
79.05482	2.1
81.03403	2.1
81.07048	1.4
83.04961	0.8
85.02880	3.2
89.03908	5.9
91.05449	1.7
93.07008	0.9
95.04957	0.9
97.02875	8.9
97.06541	0.7
99.04444	1.0
105.07007	1.5
107.04951	2.7
107.08578	0.6
109.02876	0.6
111.36893	0.4
115.05411	0.6
117.03360	6.5
121.06493	1.2
123.04430	0.5
123.08060	0.7
127.03915	1.0
128.06204	0.9
129.06995	1.4
131.04868	0.5
131.08534	1.6
133.06471	11.8
135.04398	16.5
135.07942	0.5
136.04764	0.4
136.07539	1.3
137.05937	1.2
141.06960	1.3
142.07765	0.9
143.08502	1.1
144.05638	0.7
145.02829	12.6
145.04890	0.5
145.06450	1.1
145.10135	0.8
147.04431	1.0
147.08058	0.7
147.11655	0.6
149.05936	1.0
151.03839	0.7
152.04710	0.8
153.05505	1.2
155.08473	0.8
157.06566	0.6
157.10150	1.1
158.07248	1.1
158.88152	0.6
159.08038	1.9
161.05959	1.6
161.09581	0.7
163.03883	100.0
164.04221	1.3
164.07030	1.8
165.05453	0.7
167.07042	2.6
167.08440	0.9
169.10106	0.6
170.07275	0.5
171.08046	0.8
173.05969	2.0
173.09579	2.5
175.07523	1.4
177.05461	4.2
179.06961	1.2
181.04909	2.5
183.07983	0.6
184.05121	0.5
185.09601	1.2
187.07538	3.1
187.11209	0.6
188.08249	1.0
189.05525	1.0
189.09026	0.9
189.12639	0.6
191.07062	1.6
191.10605	0.5
192.07794	0.6
193.08553	0.6
195.06462	0.9
199.11139	0.7
201.05453	1.9
201.09024	3.6
201.14833	0.7
203.07072	1.4
203.10667	1.3
204.07819	0.6
205.08583	1.1
212.08354	0.4
213.09016	0.8
215.06995	0.9
215.10628	1.6
216.07788	1.2
217.12224	1.6
219.10138	11.7
221.11725	0.8
227.10619	1.4
229.12164	0.9
230.09337	1.5
233.11629	0.8
245.11705	10.8
247.13290	5.6
263.12750	20.9
264.13123	0.5
307.08081	1.8
325.09155	11.0
459.71979	0.5
531.88092	0.4
587.21814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
53.03918	0.7
54.94390	0.5
55.01851	0.5
55.05489	1.0
57.03417	1.2
61.02914	0.5
63.45557	0.4
65.32182	0.5
67.05476	1.2
69.03420	4.0
69.07047	1.4
71.04964	1.2
71.20003	0.5
71.70388	0.7
73.02915	0.5
79.05493	3.1
81.03415	3.3
81.07030	1.9
83.04971	1.2
83.08582	0.5
85.02903	2.9
85.06503	0.8
85.07664	0.7
89.03901	5.4
90.74483	0.4
91.05460	2.7
93.07023	1.7
95.04964	1.1
95.08581	1.8
97.02874	6.1
97.06503	2.0
99.04435	1.1
103.05461	0.9
105.06998	2.4
107.04928	3.7
107.08565	1.3
109.02856	1.2
109.06510	1.1
109.10133	1.1
111.04457	0.6
115.05422	0.8
117.03352	5.0
117.06982	1.4
119.04914	1.0
119.08531	1.6
121.06474	1.4
121.10120	1.6
122.06020	0.6
125.05939	0.7
127.03881	2.2
128.06137	0.7
129.06972	0.9
131.04904	0.7
131.08563	1.2
133.06458	2.9
133.10109	0.8
135.04398	14.7
135.08006	0.8
135.11687	0.8
136.07584	1.1
137.05939	1.5
142.07762	1.2
143.08533	0.8
145.02818	11.1
145.06497	1.1
145.10077	1.3
147.04411	2.9
147.11653	0.7
149.09662	0.6
151.03870	1.3
151.07518	0.5
152.04655	0.9
153.05399	0.5
157.10013	1.0
159.08037	1.1
159.11713	0.6
161.05933	1.6
161.09679	0.7
163.03879	100.0
164.04239	0.8
164.06993	0.7
167.07031	4.9
169.10089	0.5
171.08034	0.7
173.06058	1.1
173.09581	1.6
175.07542	1.2
177.05441	2.5
181.04950	2.6
181.08517	0.5
185.06139	0.8
185.09570	0.6
185.13068	0.5
187.07498	1.2
187.11069	0.8
188.08342	1.1
189.05450	0.7
189.09048	0.9
189.12714	0.9
191.06950	1.1
195.06494	0.8
197.06049	0.6
199.11104	0.8
201.05476	1.8
201.09062	1.5
202.09895	0.6
203.06972	1.2
203.10678	0.8
205.08571	0.8
213.08987	0.6
215.06975	1.0
215.10643	0.7
216.07768	1.5
217.12195	1.4
219.10112	4.6
227.10658	1.0
230.09392	1.7
233.11691	1.0
245.11700	15.2
247.13210	2.6
257.07922	0.9
263.09918	0.4
263.12723	11.2
278.01483	0.5
307.08133	3.0
325.09106	8.3
342.24582	0.5
407.17078	0.6
425.17996	0.6
450.31445	0.5
490.15146	0.8
534.30212	0.5
586.39752	0.6
587.23328	1.7
587.31830	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	587.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01859	0.8
55.05489	1.1
57.03422	1.3
61.37870	0.4
67.05479	0.9
69.03419	5.2
69.07053	1.3
70.08070	2.1
71.01363	0.8
71.04971	1.9
76.08191	0.4
79.05484	2.6
81.03414	2.8
81.07044	2.2
85.02888	4.9
89.03896	5.0
91.05468	3.0
93.07024	1.8
95.04948	1.4
95.08590	0.8
97.02878	11.1
97.06490	0.7
98.21386	0.7
99.04427	0.8
101.02335	0.8
103.05446	1.6
105.03378	1.1
105.07008	2.5
106.93100	0.4
107.04924	1.6
107.08583	2.0
109.02842	1.4
109.06479	0.5
111.04479	0.5
115.05441	1.1
117.03361	6.2
117.07003	2.0
119.04820	0.6
119.08542	0.9
121.06485	0.8
121.10142	1.2
123.08027	1.4
125.05949	0.5
127.03903	1.3
128.06203	1.6
128.11179	0.4
129.06964	3.1
131.04903	0.6
131.08531	1.9
133.06474	29.4
133.10110	0.8
135.04399	15.2
135.11658	1.3
137.05933	0.7
139.03862	0.5
141.06969	1.4
142.07776	0.9
143.08525	2.5
144.05716	0.7
145.02829	11.7
145.06476	2.6
145.10103	1.7
147.04347	1.7
147.08017	1.4
147.11621	0.6
149.05890	1.2
151.07513	0.5
153.05447	1.7
154.07811	0.5
155.08521	1.2
157.10106	1.7
158.07228	0.9
159.08041	3.7
160.05231	0.6
161.05945	2.3
161.09589	0.5
163.03879	100.0
164.04295	0.7
165.05478	1.2
165.06892	0.4
167.07108	0.7
167.08556	1.7
169.06548	0.8
171.08009	1.1
172.08858	0.6
173.05974	2.5
173.09604	5.6
174.06805	0.7
175.03850	0.7
175.07504	2.4
175.11107	1.0
177.05464	4.8
177.09052	0.7
179.07024	2.9
181.04941	3.5
183.06635	0.5
183.08043	2.0
184.05226	0.5
184.08936	0.6
185.05786	0.5
185.09657	2.9
187.07516	6.6
187.11122	1.3
188.08290	0.8
189.05438	1.4
189.09067	1.8
190.06250	1.1
191.07021	2.7
191.10698	1.5
192.07768	0.9
193.04927	0.8
193.08591	1.5
195.08055	1.1
198.06682	0.7
199.11171	2.0
201.05547	0.6
201.09084	7.1
201.12784	0.5
202.09828	0.7
203.07016	1.3
203.10629	2.5
205.08575	0.8
207.06438	0.8
210.03603	0.4
212.16304	0.5
213.09050	2.1
214.94066	0.5
215.10672	1.5
216.07790	0.6
217.08690	0.6
217.12250	1.2
219.10138	26.8
220.10846	0.5
221.00081	0.5
221.08087	1.3
221.11690	2.9
227.10652	3.5
229.12242	1.6
230.09363	1.0
231.10164	1.1
235.13213	0.9
245.11682	5.0
247.13260	8.9
256.19156	0.8
263.12750	51.5
264.13113	1.1
307.08176	2.5
325.09119	16.9
425.17493	0.6
602.16180	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
55.01866	0.9
55.05494	0.8
57.03419	1.0
67.05482	0.8
69.03419	5.0
69.07041	1.2
69.63821	1.7
69.64249	2.2
71.04974	1.3
79.05487	2.3
79.79979	0.4
81.03411	2.4
81.07032	1.3
83.04944	0.6
84.98059	0.4
85.02900	5.5
89.03897	4.9
91.05462	2.0
93.07007	0.9
95.04945	1.3
95.08554	0.6
97.02874	10.6
98.21428	0.8
99.04452	0.9
101.02370	0.5
103.05440	1.0
105.03382	1.6
105.07030	2.8
107.04297	0.5
107.04928	2.6
107.08566	0.7
109.02875	1.0
109.06485	0.7
109.99400	0.4
111.04425	0.5
115.05450	1.3
117.03362	6.7
117.07004	1.3
119.04898	0.8
119.08579	0.7
121.06483	1.0
121.10108	0.4
123.04401	0.6
123.08042	1.4
125.05964	0.6
127.03897	1.3
128.06213	1.6
129.06978	3.0
130.07732	0.5
131.08514	1.7
133.06473	32.0
135.04395	14.4
135.08058	0.6
137.05954	1.5
141.06995	1.8
142.07716	1.0
143.08557	2.3
144.05669	0.8
145.02824	12.4
145.03941	0.9
145.06441	3.3
145.10071	1.4
147.04387	1.0
147.08011	1.8
149.05907	0.9
153.05463	2.7
153.06563	0.4
154.07767	0.8
155.08511	1.7
157.06427	1.0
157.10098	1.8
158.07256	1.2
159.08043	4.4
159.11649	0.6
160.05179	0.9
160.08804	0.5
161.05980	2.5
161.09567	0.7
163.03879	100.0
163.07529	1.6
164.04257	1.5
165.05463	1.3
167.07088	0.9
167.08556	1.3
169.06425	0.6
169.10114	1.0
170.07281	0.6
171.08031	0.8
172.08769	0.7
173.05980	4.0
173.09598	5.6
174.06735	0.9
175.03935	1.0
175.07564	2.5
175.11121	1.0
177.05450	5.3
177.09059	0.5
179.07030	4.2
181.04938	3.3
181.06354	0.6
183.08014	1.4
184.05254	0.7
185.06009	0.6
185.09605	2.1
187.07521	7.8
187.11145	1.5
188.08195	0.7
189.05450	2.4
189.09113	1.6
189.12723	0.6
191.06989	4.0
191.10687	1.9
192.07770	1.0
193.04912	0.7
193.08604	2.0
195.06372	0.7
195.08018	1.4
197.09543	0.6
199.07491	0.5
199.11176	0.9
201.09074	8.0
201.12761	1.1
202.09825	0.9
203.06982	0.8
203.10649	2.0
205.08524	1.6
213.09050	2.2
214.09875	0.5
215.07027	0.6
215.10693	2.5
217.08549	0.5
217.12296	1.8
218.09312	0.8
218.28003	0.5
219.10138	26.6
220.10612	0.7
221.08121	1.0
221.11600	2.4
227.10617	2.8
229.12114	1.7
230.09361	1.3
231.10097	0.6
232.10783	0.7
235.13254	0.7
245.11670	3.4
247.13275	17.0
248.13535	0.5
263.12753	45.6
264.13336	0.9
307.07996	1.8
325.09137	17.9
343.16254	0.6
354.97543	0.5
516.51324	0.6
587.20526	0.6
587.29761	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
53.05487	0.4
55.01869	0.5
55.05502	0.7
57.03418	0.7
57.53907	0.4
63.02352	0.5
65.03912	0.4
67.05464	0.5
69.03423	4.5
69.07056	0.6
69.40960	3.5
69.41360	0.6
71.04977	0.8
79.05486	2.2
81.03403	1.9
81.07043	0.9
81.56592	0.3
85.02888	5.3
85.52569	0.3
89.03905	5.0
91.05463	1.5
93.07014	0.5
95.04964	0.9
95.08580	0.3
97.02878	9.9
98.05991	0.3
98.20722	0.7
99.04408	0.8
101.02419	0.4
103.05454	0.5
105.03381	0.8
105.07001	2.3
107.04944	2.6
107.08556	0.7
109.02863	0.7
115.05439	0.9
117.03355	5.4
117.07011	0.9
119.04860	0.5
119.08527	0.5
121.06490	0.5
123.04388	0.5
123.08035	1.1
125.05979	0.5
127.03925	1.0
128.06177	1.3
129.06989	2.5
131.04861	0.5
131.08525	1.7
133.06471	31.4
134.06833	0.4
135.04398	16.1
137.05960	0.9
139.03886	0.4
141.06921	1.0
142.07750	1.0
143.08534	2.9
144.05617	0.5
145.01671	0.7
145.02823	10.6
145.06454	2.0
145.10104	0.9
147.04300	0.7
147.08038	1.1
153.05409	1.1
153.06950	0.6
155.08546	1.5
157.10101	1.5
158.07228	1.4
159.04407	0.4
159.08031	4.1
161.05978	1.9
163.03879	100.0
164.04326	1.2
165.05479	0.9
165.06924	0.5
167.07076	0.7
167.08525	1.7
168.09163	0.4
169.06523	0.4
169.10124	0.7
171.08064	0.7
173.05927	2.2
173.09605	6.0
174.06758	0.8
175.03960	0.4
175.07573	2.4
175.11189	1.1
177.05482	3.2
178.06273	0.5
179.07033	3.2
181.04930	3.8
183.08012	1.3
184.05145	0.9
184.08675	0.5
185.05995	0.5
185.09608	3.1
187.07529	6.6
187.11176	1.3
188.08151	0.5
189.05449	0.8
189.09047	2.0
189.12738	0.6
190.06233	0.7
191.07030	2.1
191.10736	1.7
193.04967	0.5
193.08569	1.2
195.08037	1.1
199.11174	1.0
201.09065	6.8
201.12773	0.5
202.09773	0.8
203.07002	0.7
203.10580	1.9
204.07780	0.5
205.08427	0.5
212.08333	0.6
213.09056	2.4
215.10597	2.2
217.12193	1.9
219.10133	32.0
220.10751	0.6
221.08105	0.8
221.11708	2.8
227.10609	1.9
229.12215	0.6
230.09341	0.8
231.10155	0.8
235.13174	0.8
245.11676	4.2
247.13237	6.2
263.12750	52.8
264.13068	1.0
307.04800	0.5
307.08044	2.9
325.09128	17.2
348.77899	0.4
363.16486	0.4
425.18182	0.4
506.72452	0.4
587.31177	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.3
55.01872	7.7
55.05501	19.9
57.03422	2.7
57.07067	30.7
65.03918	2.4
67.05493	42.5
69.07052	38.0
69.77387	3.1
69.77809	7.4
71.04970	2.6
71.08620	27.6
79.05486	27.2
81.03397	6.9
81.07043	58.3
83.04968	7.8
83.08614	16.4
85.06530	2.5
85.10152	10.3
88.05381	1.3
91.05469	40.9
91.06041	2.2
93.07036	28.9
95.01316	9.8
95.04955	12.3
95.08593	47.0
97.06518	18.1
97.10136	10.5
99.08083	3.2
100.02533	1.3
105.07014	58.4
105.07722	3.0
107.04944	15.1
107.08578	17.1
109.06526	4.9
109.10134	18.7
111.08077	3.4
111.11736	1.3
113.09687	2.0
115.05400	1.4
117.07002	11.0
119.08561	35.6
121.06515	2.4
121.10129	9.9
123.04382	1.3
123.08067	3.3
123.11687	5.1
125.09616	3.4
129.04068	1.5
131.08549	21.1
133.10110	38.5
135.08022	3.2
135.11713	8.2
137.09592	2.3
139.07498	2.0
141.07097	1.8
143.08513	2.2
145.10097	23.7
147.08003	1.3
147.11659	16.8
149.09567	6.8
149.13266	4.7
149.19998	1.4
151.11101	2.0
155.08546	1.4
157.10127	5.0
159.11670	15.7
161.09607	3.0
161.13226	6.5
163.11183	6.1
163.14790	1.7
165.09142	2.6
166.38997	1.3
169.10081	2.5
171.11671	4.0
173.11795	1.3
173.13284	4.0
175.11115	1.7
177.12743	4.3
179.14285	19.6
183.11598	2.7
185.13283	2.3
187.11130	2.8
193.81299	1.6
197.13219	3.8
201.12709	1.8
205.12247	1.4
219.17403	8.3
219.20969	1.6
222.05122	1.3
229.19507	2.1
239.17938	5.1
239.23726	2.0
241.14255	1.5
257.18857	10.9
275.20023	98.3
276.20447	1.7
277.21588	5.5
293.21060	6.9
313.27350	4.5
331.22592	1.8
349.23795	4.7
372.45474	1.4
424.46375	1.7
479.26013	1.4
531.69507	1.4
587.46564	100.0
588.46851	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.01861	7.9
55.05503	37.6
57.03431	6.0
57.07067	50.3
65.03925	5.1
67.05498	54.1
69.07059	40.1
71.04958	3.5
71.08616	34.7
71.42146	4.3
72.08332	2.3
79.05486	41.9
81.03394	3.4
81.07043	63.7
81.18648	2.3
82.62472	2.1
82.91174	2.4
83.04976	3.5
83.08614	27.4
85.10177	15.5
91.05479	41.2
93.07029	36.6
93.38934	2.2
95.01331	3.1
95.04956	8.2
95.08591	53.5
97.06522	12.5
97.10159	12.5
105.07019	56.1
107.04931	7.1
107.08582	32.2
109.10126	25.6
111.08083	4.3
115.05459	3.5
117.07003	14.3
119.08555	29.0
121.06528	3.1
121.10138	19.8
123.11700	9.6
125.09608	2.3
129.06990	10.3
129.76138	2.6
131.08542	34.2
133.10133	30.5
135.08089	3.0
135.11687	15.2
137.09634	3.1
137.13226	3.2
141.06985	2.4
143.08574	12.1
145.10097	64.3
147.11678	29.6
149.09598	14.1
149.13318	6.2
151.11177	3.5
155.08554	6.2
157.10135	8.1
159.11678	20.6
161.13235	16.2
163.11192	9.9
169.10107	4.8
171.11653	12.1
173.13239	11.0
175.14844	6.7
179.14348	7.3
183.11697	4.3
185.13249	5.8
187.14743	3.3
197.13272	4.0
215.14325	3.2
229.19435	4.6
231.21112	3.5
237.22189	3.6
239.17969	8.3
239.23669	3.4
241.19542	10.4
257.18973	32.4
259.20529	29.0
275.20010	52.9
277.21710	5.3
285.02783	2.3
292.86118	2.3
293.21048	5.5
311.25720	32.6
313.21707	2.5
313.27301	21.6
331.22787	12.9
331.26102	2.3
333.24246	15.4
345.79584	2.7
412.95175	2.3
569.45081	3.3
587.46625	100.0
588.46729	3.1
599.37714	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	588.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	1.5
57.05805	0.4
69.07057	6.6
70.86082	0.7
70.86419	0.3
73.04222	0.3
74.06066	2.6
75.43929	0.3
81.07034	0.3
84.04506	0.6
85.02883	0.4
86.09691	100.0
87.10045	0.5
88.47808	0.3
95.08624	0.3
98.06035	0.8
100.59399	0.3
102.05524	0.6
110.07096	0.3
114.09152	0.3
116.07066	0.5
126.05486	7.6
130.05002	0.5
144.06567	0.4
148.06024	3.1
153.06595	1.6
157.13321	4.6
169.09676	0.6
185.12817	0.6
197.09183	15.9
199.18068	1.0
215.10263	5.5
227.17522	2.1
227.19591	0.4
228.20409	0.3
238.15532	0.5
254.43713	0.3
261.14404	8.4
261.17068	0.4
282.17868	0.5
298.21170	0.5
300.19125	15.0
310.17856	0.3
328.18610	30.9
329.18887	0.5
374.22842	0.9
379.23132	0.4
441.26959	2.6
495.46625	0.3
535.84967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61939	0.7
53.03928	1.2
55.01865	1.8
55.05500	6.8
56.21700	0.8
56.97546	0.8
57.03414	2.1
57.07069	1.1
57.17154	0.8
61.02906	1.7
62.06077	1.5
67.05497	6.9
69.03418	8.1
69.07054	7.9
69.48382	5.0
69.48811	3.7
70.06567	2.1
71.04974	1.5
71.08620	12.3
72.08145	3.4
73.02888	1.1
73.06546	0.9
79.05484	5.7
81.03403	3.4
81.07048	9.6
83.01352	0.8
83.04960	1.6
83.08607	7.1
84.04470	0.9
84.08143	2.1
85.02890	7.5
85.06539	0.9
85.90791	0.9
86.06056	21.4
87.04431	1.4
90.50873	0.9
91.05466	3.9
93.07029	6.9
94.74728	0.8
95.04956	2.0
95.08582	6.0
96.08111	4.8
97.02891	5.2
97.06511	2.7
97.10163	2.1
97.42201	0.9
98.06060	1.4
98.09670	10.6
99.04422	2.1
99.08077	13.2
105.07005	3.0
107.04945	0.9
107.08586	5.5
108.08100	3.6
109.02841	2.1
109.06485	1.9
109.10135	4.0
110.09688	0.9
111.08105	1.5
113.56594	0.9
114.09146	1.5
116.10711	64.6
117.07001	1.0
119.08559	3.0
121.06446	1.1
121.10105	1.7
122.09602	2.3
123.08053	1.1
127.03885	4.4
129.07013	1.1
131.08545	1.4
133.10098	2.2
135.11615	1.5
136.11127	1.1
140.10678	2.0
143.08551	1.1
143.10657	2.5
145.04930	1.3
145.10080	1.8
149.13263	5.3
154.15872	3.5
159.11662	1.9
166.15889	2.5
167.14369	2.3
168.17380	1.1
183.10172	1.1
184.07326	1.4
196.16928	6.4
214.17987	100.0
215.18416	1.6
219.69208	0.9
231.15868	7.9
238.17958	1.2
239.16365	1.6
249.09988	0.9
257.17441	4.1
261.13284	3.4
274.21552	1.1
292.22653	3.8
310.23758	15.6
328.24774	99.1
329.25070	2.9
335.33719	0.9
376.18457	1.2
376.23303	17.9
408.30948	2.0
426.32053	15.5
472.29022	1.5
490.29987	24.8
491.29913	2.4
588.37476	13.1
588.46362	2.1
589.37640	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01855	3.2
69.03423	12.6
70.93042	4.6
73.02911	1.5
79.05498	3.8
81.03423	9.9
85.02891	18.8
87.00819	6.4
88.07430	1.5
91.05460	5.1
94.04189	2.6
97.02885	10.3
99.04438	5.2
103.05466	4.6
105.01855	4.4
105.07020	4.6
107.04918	1.9
107.96593	1.5
109.02867	11.2
109.06497	2.7
115.05412	3.8
115.99718	1.6
117.06993	2.7
119.08568	5.0
122.03641	6.9
127.03886	13.8
128.06248	2.1
129.06975	2.9
131.04916	8.4
132.05672	4.4
133.06471	4.1
135.04414	2.0
137.05962	100.0
141.06967	2.1
145.02879	3.3
145.04984	2.5
146.03581	2.1
147.04295	1.8
147.08028	4.8
159.02884	6.9
159.08070	2.2
161.05928	14.5
163.03894	18.0
163.07526	16.1
171.08041	1.5
175.07533	60.0
184.05190	1.8
187.07568	5.0
191.08588	3.1
199.07497	16.7
200.10918	1.5
201.09189	3.6
202.07796	6.0
203.08542	14.0
206.08109	15.3
219.08044	6.3
220.08736	2.9
231.05704	2.4
231.07993	16.3
232.08759	1.5
247.07611	3.6
248.09137	23.4
249.08810	1.6
251.10553	4.1
259.07492	13.8
260.08264	2.5
263.10638	10.2
265.09021	3.3
265.11768	22.7
275.07028	1.8
276.07733	7.0
277.08548	4.7
279.10291	3.2
291.10217	19.9
292.10873	6.5
293.08038	2.8
295.13147	3.7
308.10410	4.7
311.12799	11.6
311.47864	1.8
323.12732	55.3
324.12939	2.1
325.09180	3.6
325.14212	3.7
335.12469	1.8
359.01358	1.9
477.92044	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.0
53.03931	8.2
55.01873	10.1
55.05500	36.7
57.03432	11.5
62.91730	1.7
63.55239	2.1
65.03933	4.3
67.05136	3.4
67.05495	65.3
69.03404	8.7
69.07057	26.5
69.37833	7.7
69.38258	14.2
71.04980	6.4
79.05483	82.8
81.03395	11.9
81.07043	65.5
83.04972	16.5
83.08604	19.9
85.02888	2.9
85.06528	2.9
91.05466	62.7
91.06037	3.4
93.07030	67.5
95.04958	28.7
95.08596	36.8
97.02869	3.8
97.06511	5.5
97.10149	21.2
98.20631	3.1
103.05428	3.1
105.07016	51.5
106.18636	1.9
107.04947	12.0
107.08581	26.2
109.06513	11.6
109.10139	15.6
111.04408	4.1
111.08083	4.8
115.05472	3.9
117.07001	18.6
119.04915	4.0
119.08562	37.1
121.06482	8.5
121.10135	13.5
123.08058	22.9
123.11694	5.1
125.09615	18.1
127.07575	2.1
128.06198	2.5
129.06987	17.2
131.08556	16.1
133.06483	5.9
133.10110	15.2
135.08011	5.2
135.11690	5.6
137.09544	4.6
141.06952	3.5
143.08513	12.8
145.10098	15.7
147.08035	15.5
147.11658	32.1
149.09615	4.5
149.13260	2.1
150.39751	2.1
151.11171	3.0
154.76202	2.1
155.08492	3.7
157.10115	5.2
159.11624	5.2
161.09601	7.8
161.13249	12.4
162.10426	1.9
163.11151	8.0
165.09094	5.4
166.66699	2.2
169.09984	2.8
169.12195	3.4
171.11665	25.2
173.13399	2.3
175.11133	3.3
177.12672	2.8
179.14279	2.5
181.10095	4.5
185.13248	3.0
187.13164	3.7
189.11200	8.5
189.12674	9.2
193.12230	3.1
195.11520	1.9
195.13690	2.1
207.13722	21.9
221.74493	2.0
223.13246	16.4
225.14655	2.0
227.12779	10.2
237.16403	2.1
245.13817	2.7
245.19066	4.8
249.14693	4.0
249.71646	1.9
273.18439	31.8
281.17422	49.7
291.19504	100.0
291.30560	2.2
292.19781	2.3
303.19360	2.2
327.23004	3.6
347.22025	4.2
365.23248	21.5
385.13058	3.1
386.13663	7.6
387.14059	2.5
399.14429	3.9
400.15167	9.4
401.15775	7.0
413.16101	3.6
414.16672	3.1
415.17035	3.3
428.18359	3.4
429.18936	8.3
430.19498	2.8
451.26743	2.4
456.17902	5.3
473.28943	3.2
491.29727	3.0
513.21271	4.5
517.24213	3.7
539.19196	4.5
543.21967	3.3
553.34674	4.4
561.23212	4.1
571.22333	24.4
571.36200	77.5
572.21826	6.4
572.36316	5.7
589.22858	26.7
589.36200	5.1
590.22913	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	589.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25938	2.3
53.03922	12.0
55.01850	12.8
55.05503	42.9
57.03428	15.1
57.07054	6.9
61.50857	2.3
64.61002	2.4
65.03919	6.9
67.05493	97.2
69.03412	7.9
69.07063	26.3
71.04959	7.3
71.70903	3.3
73.06534	2.9
79.05482	92.6
81.03386	10.3
81.07043	86.1
81.07487	2.4
83.04966	20.4
83.08601	17.9
85.06519	4.5
87.04449	3.0
91.05463	97.6
93.07028	100.0
95.04945	27.1
95.08595	44.3
97.02934	3.0
97.06509	6.8
97.10148	4.7
99.08081	3.0
99.96858	2.7
105.07009	79.9
105.07718	4.6
107.04938	18.1
107.08569	41.1
109.06494	16.1
109.10130	42.0
111.04388	4.1
111.08055	10.1
113.06066	3.7
115.05403	4.5
117.07004	16.5
119.04907	3.1
119.08567	37.1
121.06457	13.4
121.10118	16.1
123.04414	3.2
123.08035	9.4
123.11642	11.6
125.05832	3.6
128.06187	6.8
129.06990	27.8
131.08559	14.8
133.06433	9.4
133.10114	50.2
135.08025	8.5
135.11661	8.7
137.05914	3.2
137.09555	5.6
139.07504	6.0
141.06970	5.7
143.08513	17.6
145.06427	3.6
145.10103	19.5
147.04309	3.0
147.07999	12.7
147.11665	40.0
149.09579	10.5
151.11186	22.6
155.25206	2.8
157.10046	6.0
159.08092	5.2
159.11635	7.9
161.09613	15.2
161.13205	12.2
163.11131	5.2
165.09077	3.7
169.12277	5.3
171.11659	33.4
175.11131	4.6
179.10709	3.1
179.14334	4.4
183.11668	3.1
185.13205	4.6
189.12709	13.8
207.13748	26.1
215.12823	3.4
229.85046	2.6
237.16209	4.3
245.18907	13.6
253.14301	39.8
255.17503	3.6
263.20068	10.4
273.18427	51.9
281.17426	46.4
291.19476	82.9
301.21616	3.2
309.20517	7.1
347.22098	7.7
349.98651	2.9
365.23175	31.0
477.28366	8.3
497.32190	6.1
553.35577	6.6
571.36298	49.7
589.25751	3.4
605.68988	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	589.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.3
55.01847	1.8
55.05269	1.5
55.05505	18.9
57.03202	1.3
57.03432	13.4
57.07066	51.7
58.17739	1.1
65.03928	2.2
67.05494	45.4
69.07059	19.8
71.04971	2.6
71.08617	35.0
71.64091	2.6
71.74081	1.3
79.05018	2.4
79.05479	37.4
81.07044	52.8
83.04971	1.3
83.08602	16.5
85.06529	3.9
85.10168	15.7
89.06015	1.9
90.21834	1.1
91.05466	46.7
93.07029	43.3
95.04958	4.4
95.08591	45.4
95.09145	0.8
97.06519	2.0
97.10130	6.5
99.08054	4.8
103.07494	1.4
105.07011	56.3
107.04975	1.2
107.08571	25.1
109.06508	1.8
109.10144	22.6
111.08012	1.4
113.09639	1.4
117.06992	13.0
119.08561	50.9
121.10133	18.6
123.08035	2.0
123.11683	8.0
129.06984	10.2
131.07655	1.7
131.08557	22.4
133.10107	42.4
135.08000	1.6
135.11668	17.4
137.13239	3.1
143.08571	8.5
145.10095	20.3
147.08032	1.5
147.11664	47.3
149.09602	2.3
149.13231	11.4
151.11130	1.6
157.10106	7.9
158.10780	1.6
159.11647	18.5
161.13234	36.0
163.11176	2.2
163.14841	3.3
169.10046	1.1
171.10315	2.1
171.11641	14.4
173.13257	11.3
175.11258	1.5
175.14787	18.0
185.11945	1.3
185.13257	13.0
187.14795	4.8
189.12778	1.8
189.16339	1.1
191.14243	1.4
199.14844	7.1
203.14229	1.2
213.16389	2.6
215.17894	1.9
217.19485	1.7
225.25780	1.2
231.21049	11.9
239.23680	4.5
241.19464	45.5
257.24765	3.3
259.20532	97.0
260.20831	1.7
277.21524	4.7
313.27313	100.0
314.27603	2.7
315.23135	6.2
333.24194	53.1
349.23621	1.9
351.25232	2.3
363.29599	1.3
378.44040	1.1
497.43323	1.9
551.75586	1.3
571.46954	8.6
589.48242	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	589.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01854	1.3
55.05500	14.1
57.03428	9.1
57.06804	2.1
57.07069	35.5
65.03921	2.3
67.05135	1.7
67.05493	34.0
68.05824	0.9
69.06689	1.1
69.07056	17.2
71.04973	1.8
71.08249	1.9
71.08620	28.4
71.09013	1.8
71.63229	1.5
79.05479	24.6
79.92853	0.8
81.07043	37.0
82.64439	0.9
83.04969	1.1
83.08604	11.9
85.06515	2.6
85.10168	13.6
89.06000	1.5
91.05466	40.1
93.07030	32.4
95.04935	3.2
95.08005	1.7
95.08595	34.2
97.06512	3.0
97.10151	7.1
99.08062	4.8
103.05462	1.2
105.07016	40.2
105.07722	2.0
107.04861	0.8
107.08578	18.2
109.06490	1.9
109.10146	15.6
111.08044	1.4
111.11682	1.8
113.09660	1.0
115.05439	1.1
117.07000	8.8
119.08560	36.0
119.09411	1.9
121.06498	1.3
121.10121	15.8
123.08096	1.1
123.11677	6.6
125.09562	1.0
125.13338	0.9
128.06166	1.6
129.06950	5.8
131.08545	14.2
133.10109	29.9
135.11673	15.9
137.05948	1.3
137.09641	0.9
137.13246	1.5
141.06934	1.0
143.08527	5.7
145.10100	14.0
147.11662	36.3
149.13214	10.4
151.11128	2.3
157.10118	5.9
159.11682	14.5
161.13249	33.9
163.11156	2.7
163.14758	4.1
165.12785	1.1
169.10194	1.0
171.11670	10.5
173.13243	8.8
175.11307	1.2
175.14803	14.3
177.12671	1.9
179.14294	3.3
185.13208	7.5
187.14810	3.3
189.12776	1.8
189.16286	1.2
199.14815	5.4
201.16356	1.2
203.14235	0.9
213.16350	2.3
215.17928	1.5
217.19444	1.8
221.22585	1.0
231.17326	1.4
231.21016	9.3
239.23695	7.0
241.19489	39.6
257.24869	1.3
259.20538	94.7
260.21051	1.1
261.21869	1.2
275.20084	2.5
276.20526	1.4
277.21542	8.9
313.27316	100.0
315.23163	6.6
333.24210	47.0
351.25342	2.5
497.43460	1.5
571.47083	11.4
589.48077	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	589.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00527	1.3
53.03935	4.0
55.05506	17.8
57.03432	12.4
57.06798	2.9
57.07064	49.9
65.03924	4.0
67.05498	50.0
69.07056	22.1
71.04970	3.3
71.08620	35.6
71.21029	4.1
75.64450	1.6
79.05484	35.3
81.07043	51.9
83.04920	2.3
83.08605	20.7
85.06516	2.3
85.10168	18.2
91.05467	56.2
91.06037	2.8
92.18313	1.4
93.07031	45.4
95.04942	5.8
95.08588	50.9
97.10161	5.8
99.08092	3.6
103.05455	2.0
105.07011	58.9
105.07722	3.0
106.07415	1.8
107.08583	28.7
109.06503	2.3
109.10147	20.6
111.11741	2.6
115.05403	2.1
117.07011	10.2
119.08559	51.7
121.10111	18.1
123.11701	6.4
128.06177	2.6
129.06969	7.5
131.08554	21.5
133.10104	44.4
135.11674	18.2
137.13229	3.2
143.08521	8.8
145.10097	18.8
146.10863	1.6
147.11661	47.5
149.09590	1.7
149.13211	10.0
149.26768	1.3
151.11198	2.8
157.10078	9.3
159.11652	23.0
161.13239	35.7
163.11237	2.7
163.14810	2.9
169.32352	1.5
171.11662	11.3
173.13240	11.5
175.14795	13.0
179.14256	2.5
185.13219	7.8
187.14714	2.9
199.14830	6.2
201.16461	1.7
213.16270	3.5
217.19392	1.6
231.21025	10.2
239.23755	4.5
241.19489	43.9
257.24768	2.9
259.20535	95.0
261.22223	1.7
275.20142	2.7
277.21530	4.8
295.53918	1.7
313.27322	100.0
315.23074	5.9
333.24173	51.5
355.96262	1.5
440.83325	1.7
497.43579	2.1
571.47443	9.1
589.48132	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	590.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.00999	0.4
55.01867	0.7
55.05509	6.5
57.03425	1.2
57.07080	1.2
61.02929	1.1
67.05484	2.5
69.03415	4.5
69.07059	100.0
70.06587	1.4
70.07408	0.6
70.28893	0.4
71.05004	1.2
71.70828	0.8
73.02911	0.9
73.06544	1.9
77.33061	0.4
79.05475	0.8
81.03394	2.8
81.07049	2.5
83.08606	1.3
85.02897	15.9
85.06532	0.7
86.09704	0.9
87.04453	3.6
89.06019	93.9
91.05486	1.1
91.07565	0.5
93.06985	0.8
95.08591	1.6
96.73077	0.4
97.02880	4.1
99.04465	1.3
103.05508	0.4
105.07050	0.6
107.04995	0.7
107.07068	6.1
109.02869	1.9
109.06500	0.6
109.10141	1.6
111.04440	0.6
111.11707	22.6
117.09126	0.6
119.04910	0.5
119.08553	0.5
121.10109	0.7
127.03915	2.8
129.12735	4.9
130.08641	1.8
131.07042	0.7
133.08588	46.5
136.07626	0.5
137.05994	1.5
138.06297	0.8
145.04947	1.8
147.04413	1.4
151.09625	5.2
163.03926	2.3
168.62424	0.5
171.11565	0.5
173.15398	1.8
175.07550	0.9
176.07922	0.6
177.05460	0.5
177.11203	20.9
195.12279	3.8
199.16953	0.9
210.04765	0.4
217.17949	10.0
217.19946	0.8
218.94321	0.5
221.13902	2.2
232.08504	0.6
239.14845	3.2
249.08768	0.5
261.20563	6.4
279.21500	1.0
283.17487	19.4
301.07068	0.9
305.23145	1.4
311.05621	0.5
323.24246	2.1
324.13248	1.1
339.08496	1.4
349.25778	1.3
367.26797	1.3
393.28503	6.9
405.51883	0.5
411.29492	83.0
412.29788	1.1
591.18762	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2591
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
52.21180	1.0
54.49744	1.4
67.05483	2.0
69.76472	5.4
69.76891	1.8
73.62148	1.1
79.05485	1.9
81.07018	1.6
91.05502	1.3
95.08568	2.5
98.21491	2.2
105.07042	1.5
107.08597	1.2
109.76919	1.1
120.23051	1.3
145.10152	1.3
155.78818	1.2
183.11646	1.9
195.11731	1.3
207.11766	1.4
209.13385	1.6
256.27124	1.2
413.18103	1.8
415.19305	2.9
416.19760	1.5
429.20804	4.8
430.21539	3.7
444.23093	4.7
445.23941	4.2
458.24927	1.4
459.21161	2.1
459.26230	2.2
472.22568	2.0
473.23288	3.9
474.24298	1.7
487.24884	18.2
488.25198	1.6
489.22824	2.3
531.23730	14.5
532.24805	3.9
535.41370	1.9
591.25934	100.0
591.44171	8.3
592.26300	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	591.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.01873	1.4
55.05508	15.6
57.03434	11.8
57.06802	2.2
57.07069	43.1
65.03912	1.9
66.66488	1.1
67.05494	67.8
68.05817	1.4
69.07060	19.1
70.82113	1.1
70.95660	3.2
71.04971	1.5
71.08622	28.8
79.05482	42.4
81.07045	72.0
83.08620	11.5
85.06512	2.6
85.10166	14.9
91.05465	21.8
93.07029	50.0
95.04958	3.3
95.08592	67.1
96.08929	1.2
97.06490	2.0
97.10159	7.4
105.04496	2.3
105.07012	16.8
107.07914	1.8
107.08579	29.0
109.06474	1.5
109.10140	33.8
111.08075	1.4
111.11699	1.4
117.06982	6.7
119.08536	13.0
121.10123	21.8
123.11689	14.2
129.06985	1.3
131.08557	15.0
133.10110	12.0
135.11668	18.1
136.93433	1.2
137.13229	5.8
143.08548	1.1
145.10117	12.3
147.11679	7.9
149.13223	14.4
159.11682	10.3
161.13196	7.0
163.14803	6.9
166.39592	1.2
173.13213	9.5
175.14799	3.7
177.16388	2.5
187.14760	5.3
201.16415	2.4
221.22662	1.3
233.22594	3.2
239.23624	6.3
243.21083	11.2
257.24905	1.5
261.22104	68.3
262.22482	1.2
264.06805	1.2
277.21652	2.0
279.23108	3.6
289.88861	1.3
313.27319	100.0
317.24771	10.7
335.25751	61.6
336.26129	1.7
446.82202	1.2
460.03003	1.1
492.93893	1.3
499.44946	2.6
536.93262	1.1
573.48645	18.5
591.49792	9.3
605.61792	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.8
55.05495	12.8
57.03419	11.2
57.07067	41.7
67.05487	44.2
69.07056	12.1
71.08620	26.7
71.48680	7.2
79.05479	35.8
81.07041	54.6
83.08585	11.4
85.06507	3.7
85.08666	3.2
85.10168	15.4
91.05453	16.7
93.07041	45.2
95.04990	4.2
95.08590	58.3
97.10178	4.5
99.08074	4.1
105.07007	15.7
107.08573	22.9
109.10143	20.4
117.06967	4.3
119.08559	8.9
121.10119	20.8
123.11691	9.6
131.08595	11.8
133.10146	11.9
135.11673	14.9
137.13217	5.4
145.10124	8.4
147.11694	8.3
149.13228	10.6
151.14703	2.8
159.11667	10.8
161.13303	5.0
163.14790	14.7
173.13210	7.4
174.42128	2.5
177.16335	5.9
187.14819	3.6
233.22528	4.8
239.23544	4.6
243.21068	25.7
254.37166	2.4
261.22095	61.3
313.27319	100.0
317.24655	12.2
335.25757	63.0
392.70346	2.5
573.48718	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	592.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	3.1
55.01855	3.2
55.05506	7.3
56.05017	2.5
57.03433	1.9
57.07064	1.3
60.04515	2.2
65.03928	2.1
66.63066	1.6
67.05492	22.3
68.05824	1.8
69.03416	6.3
69.07045	7.1
69.74689	8.2
69.75097	3.4
70.75949	1.2
71.04964	3.1
74.06512	1.3
79.05479	22.1
80.04980	2.4
81.03411	6.8
81.05787	3.3
81.07040	21.1
82.06560	4.1
83.04943	2.8
83.08600	4.3
85.02900	3.1
85.06554	2.2
86.41296	1.5
91.05476	15.6
93.07030	27.7
94.06566	17.3
94.07201	2.2
94.07306	1.9
95.04964	5.7
95.08591	23.3
96.08121	3.4
97.02876	2.5
97.06509	7.3
97.10162	3.2
105.07006	17.4
107.04948	2.7
107.07339	2.6
107.08614	6.8
107.09216	1.5
108.08131	2.2
109.10144	5.1
110.09670	8.9
111.08069	13.8
117.07010	3.0
119.08558	4.0
120.08906	1.4
121.06487	2.7
121.10114	3.7
122.09652	32.5
123.08065	26.5
124.08357	1.8
128.10696	32.8
131.08504	3.1
132.08873	1.7
133.10092	4.1
135.11688	3.7
140.10678	100.0
141.09090	10.9
145.10121	3.3
147.11742	2.3
158.11787	8.2
159.11787	1.9
181.12250	1.5
193.35135	1.4
236.35899	1.5
242.90186	1.3
254.24892	2.9
271.05875	2.2
272.25803	8.0
284.15723	1.7
292.19897	2.5
314.12286	1.7
382.28918	1.3
382.33109	9.0
394.33081	17.5
395.33417	1.6
412.34152	55.1
413.34573	2.5
574.33990	2.2
593.33081	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	593.1488
Annotation	Apigenin 7-rhamnosyl-(1->2)-galacturonide
Peak:m/z	Relative Intensity
50.41703	0.1
51.25591	0.1
57.03432	0.2
62.07018	0.2
67.01841	0.5
68.99805	0.3
71.04986	1.3
71.31602	0.3
83.04963	0.1
85.02890	2.2
85.36983	0.1
91.05457	0.4
94.45550	0.1
97.02909	0.1
101.07999	0.1
108.98049	0.1
111.04402	0.2
119.04149	0.2
119.04921	1.7
121.02850	0.6
129.05447	0.6
141.01790	0.3
145.02812	0.6
147.06494	0.2
153.01807	3.9
163.03862	0.4
171.02856	0.7
181.22368	0.1
225.05328	0.2
229.04855	0.2
243.06487	0.3
247.06044	0.2
271.05957	100.0
272.06308	1.6
386.56467	0.1
447.09079	1.5
593.15131	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.8
55.01854	1.0
55.05500	1.0
55.32874	0.5
57.03414	1.6
61.71755	0.5
63.08988	0.5
67.05493	2.0
67.57658	0.5
69.03423	2.8
69.07053	1.3
71.01321	0.6
71.04984	9.5
71.70499	0.7
71.70906	0.8
73.02882	0.8
75.04488	0.5
78.23659	0.5
79.05479	2.5
81.03397	2.0
81.07037	2.3
83.04958	1.4
83.05422	0.6
85.02895	11.5
85.06523	0.8
86.09651	0.8
89.03910	3.8
91.05462	2.0
93.07018	2.3
95.04971	1.3
95.08604	1.6
96.91533	0.5
97.02880	4.6
97.06503	0.8
99.04441	0.9
105.07017	1.9
107.04939	2.4
107.08584	1.7
109.02873	1.3
109.10134	1.1
111.04414	1.3
117.03367	4.5
119.04921	1.0
119.08575	1.4
121.02834	1.5
121.10136	1.0
127.03912	1.6
129.05461	2.2
133.10106	1.2
135.04396	13.4
135.08035	0.6
137.05916	0.9
143.08572	0.6
145.02826	9.9
145.10141	0.6
147.04449	1.4
157.10129	0.6
159.11748	0.6
163.03885	100.0
164.04218	2.4
165.05461	0.6
167.06985	0.8
177.05479	2.6
181.04932	2.4
244.06195	0.6
271.05939	4.4
273.07718	0.8
307.08228	1.0
309.09641	1.3
321.10873	0.7
325.09171	12.2
326.09500	0.6
522.90112	0.6
594.22510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2744
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
53.72535	0.3
60.55942	0.3
61.16372	0.3
67.48174	0.3
70.12843	1.8
98.21470	0.4
99.72635	0.3
107.61008	0.3
115.07431	0.3
125.53869	0.3
148.93460	0.3
157.41763	0.3
196.90157	0.3
310.13309	0.4
387.15994	0.4
389.17679	1.1
402.18353	0.9
403.19113	2.2
404.19989	0.9
405.20764	1.1
415.19031	0.4
416.19833	0.9
417.21426	2.1
418.21558	1.3
419.22281	2.7
429.17279	0.5
430.17853	0.9
431.18115	4.5
432.18790	1.6
433.24252	2.5
434.24277	0.4
445.20016	5.9
446.20712	2.4
447.21747	1.4
459.22119	1.1
460.22339	2.4
461.23175	0.9
473.23679	0.5
476.22064	0.4
505.22488	0.7
533.25238	1.8
538.87305	0.4
593.27484	100.0
594.27728	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	593.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16063	0.4
61.80000	0.4
71.62556	0.8
95.70796	0.4
105.35835	0.5
133.93407	0.4
387.16226	0.6
388.16785	0.6
389.17545	0.9
402.18381	1.2
403.19141	2.8
404.19781	1.5
405.20682	1.1
416.20050	0.6
417.15933	0.7
417.21271	3.2
418.21454	1.7
419.22299	3.2
430.17862	1.3
431.18146	7.1
432.18555	2.2
433.24020	7.2
434.24399	1.2
444.18997	0.7
445.19937	8.8
446.20599	4.5
447.21631	3.1
449.22711	0.5
459.21506	2.6
460.22586	10.4
461.23181	10.3
473.23322	1.4
476.26138	0.8
487.24936	0.8
489.27170	0.6
491.24799	0.6
492.25034	0.7
505.21866	2.8
519.23785	0.5
526.74298	0.5
533.25415	36.0
534.25671	2.3
549.55048	0.5
561.24817	0.8
593.27484	100.0
594.27673	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1645
Annotation	Vicenin 2
Peak:m/z	Relative Intensity
55.81805	1.6
57.03418	2.7
61.02906	3.0
64.75548	1.4
65.52810	1.4
67.15871	1.3
70.06523	1.3
71.62154	2.5
74.96666	1.3
81.03373	3.2
85.02885	7.7
91.05453	5.4
95.04967	1.6
97.02874	2.9
103.03944	2.1
105.06998	1.4
107.04922	3.3
109.02847	1.9
111.04400	3.0
119.04903	5.7
121.02843	35.7
129.15411	1.5
141.91585	1.3
143.70280	1.4
145.02827	5.2
147.04355	2.2
161.02307	1.5
165.01892	1.8
175.03854	1.9
177.01773	1.8
177.05289	1.6
179.03435	2.1
181.04938	3.3
187.03819	2.2
189.01826	9.1
191.03325	7.9
194.02087	1.5
195.02802	6.9
197.27112	1.5
199.03757	1.5
201.01596	1.9
201.05421	1.9
203.01704	1.8
203.03352	9.7
207.02846	10.7
215.03418	2.3
217.04922	4.6
219.02853	5.5
221.04376	3.9
229.04993	5.5
231.02786	1.6
233.04427	2.9
241.04950	1.5
243.02722	2.0
245.04550	1.8
255.02861	2.2
257.04395	2.9
267.06491	3.3
268.07294	6.0
273.03891	2.2
277.08487	1.6
279.06430	5.5
280.07126	2.6
281.08014	7.1
283.06030	7.5
285.03976	2.5
292.07236	2.1
293.07974	6.1
294.05157	23.0
295.05957	82.2
296.06644	8.1
297.07513	10.8
305.08066	2.3
307.05957	52.3
308.06732	16.7
309.03836	2.3
309.07422	14.4
313.07111	5.1
317.07913	1.5
318.08994	2.3
319.06155	6.5
320.06662	5.0
321.07471	27.1
322.04730	2.5
322.08157	11.0
323.05478	3.1
323.08994	3.6
325.06982	100.0
326.07593	1.7
329.08038	2.2
333.07458	9.4
335.05566	2.8
335.09103	14.4
336.06204	1.9
336.09619	1.8
337.07007	61.3
338.07306	1.9
339.08658	1.7
345.07379	3.5
347.09076	9.9
348.05817	1.9
349.07022	29.4
350.07767	1.9
351.04764	1.4
351.08557	25.9
355.08038	19.5
357.07669	2.8
359.09207	2.0
361.06937	19.2
361.10938	1.8
363.08521	6.4
365.06235	2.0
365.10181	10.7
367.07971	3.8
373.07248	8.0
375.08621	10.4
377.10196	2.1
379.08051	46.9
385.06879	3.4
387.08398	1.6
389.10248	3.1
391.08041	30.7
393.09753	2.1
401.10376	1.8
403.08090	21.5
409.09052	37.4
415.08090	3.1
417.09579	4.5
421.09055	22.7
427.10187	38.7
429.09399	1.6
433.09052	4.8
439.10101	23.3
445.10852	6.8
457.11264	77.3
458.11255	2.0
463.09869	6.0
469.09570	1.6
475.12186	13.7
481.11264	24.2
493.11148	4.3
499.12280	17.8
505.11206	6.4
511.12286	19.1
523.12274	21.6
529.13269	7.2
541.13446	22.2
559.14404	20.7
577.15497	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	595.1648
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03918	0.3
55.20557	0.3
55.83608	0.3
57.03432	2.2
59.04981	0.5
61.02907	0.4
68.99786	0.6
69.03403	1.1
70.25294	1.4
70.84593	0.3
71.04983	10.4
75.04455	0.4
79.05483	0.4
81.03393	0.6
83.04971	0.7
85.02891	13.7
87.04448	0.7
96.38457	0.3
97.02869	1.2
109.02840	0.6
109.06521	0.4
111.00742	0.5
111.04382	0.4
121.02853	2.3
127.03889	0.9
129.05457	3.5
135.04370	0.4
137.02322	0.7
145.04915	0.9
147.06511	0.8
153.01820	3.4
165.01831	1.5
175.30995	0.3
180.56859	0.3
183.02805	0.7
185.05991	0.4
209.02155	0.3
213.05437	1.3
231.06519	0.7
241.04840	0.4
258.05215	1.2
259.05917	0.6
271.06006	2.7
272.06241	1.8
273.06570	2.0
287.05453	100.0
288.05786	2.6
329.06604	0.4
391.99011	0.4
414.50449	0.4
475.86481	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1652
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03924	0.3
55.01862	0.3
57.03421	1.9
61.02904	0.6
62.34667	0.3
66.75446	0.2
68.99788	0.6
69.03405	1.1
70.86668	0.8
71.04978	11.3
73.02895	0.5
75.04469	0.3
81.03391	0.5
83.04958	0.8
85.02891	16.2
87.04472	0.4
95.04939	0.3
97.02860	1.5
97.87442	0.3
105.07043	0.3
107.04932	0.5
109.02839	0.6
111.00784	0.5
111.04398	0.7
116.39506	0.2
121.02850	2.0
127.03867	0.8
129.05455	3.1
133.02800	0.5
137.02316	0.7
145.04942	0.7
147.04375	0.3
147.06511	0.7
153.01808	3.3
165.01828	1.2
181.04918	0.4
183.02907	0.7
185.05957	0.5
201.57747	0.2
213.05434	0.9
231.06505	0.6
241.04886	0.6
258.05182	1.0
259.06360	0.3
271.05978	4.7
272.06290	3.5
273.06598	3.8
287.05441	100.0
288.05814	1.7
317.47717	0.3
449.10153	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.7
55.01853	1.0
61.02908	0.8
62.20279	0.5
65.03925	4.2
67.05477	2.1
68.65656	0.4
69.03427	3.3
69.07065	0.5
70.06562	0.8
71.04975	0.7
71.69997	0.8
73.14223	0.5
78.04676	0.6
79.05479	9.5
81.03387	1.0
81.07041	1.0
82.04163	1.3
85.02895	7.1
91.05476	1.3
93.03387	1.2
94.04189	0.7
95.04956	6.1
95.81011	0.5
97.02874	2.1
97.06509	1.4
100.72842	0.5
105.07018	7.0
107.04940	22.0
108.02038	1.1
109.02837	0.8
110.03637	3.7
111.04422	1.6
115.05434	2.0
117.06985	1.3
119.04967	0.5
121.02834	0.7
121.06487	1.1
123.00798	0.6
123.04416	4.7
124.05212	4.1
125.05992	4.4
127.03906	0.9
129.10236	0.6
131.04887	0.9
133.06468	7.6
137.02327	0.5
137.05945	1.2
138.03096	1.3
140.04669	1.0
142.02612	2.6
145.06458	4.4
146.03665	0.5
147.04358	1.0
149.05969	0.9
152.04642	1.1
153.05397	1.0
155.05888	0.7
155.07018	2.1
160.05179	0.6
161.05951	10.1
161.68846	0.5
163.03922	0.8
167.07016	40.3
168.07257	0.6
171.06502	6.4
171.07825	0.9
173.05983	2.4
175.03857	0.6
175.07549	0.5
177.05470	0.5
178.06236	0.9
181.04930	100.0
182.05321	1.8
183.06416	2.9
189.05463	1.8
191.06934	0.5
193.08577	12.3
201.05469	0.9
205.08562	1.8
206.05675	1.4
207.06483	1.2
221.08055	29.3
233.05783	0.7
233.08076	12.7
249.05176	1.0
249.07526	10.9
261.07571	5.3
263.06876	0.6
265.08685	0.8
271.05945	0.8
279.08649	1.5
287.05286	0.7
293.07867	0.6
341.10178	0.6
357.13559	0.7
367.07904	0.5
369.13068	1.0
372.12036	1.1
378.33438	0.5
383.11191	1.4
387.14215	1.5
397.12762	0.9
403.13834	61.1
404.14365	0.8
415.13837	24.5
416.14325	0.9
433.14935	11.8
434.14743	0.8
434.20325	0.6
565.19025	6.4
595.20117	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.1
57.03425	2.2
68.33067	0.9
69.03425	1.8
71.04980	12.0
71.70515	1.3
73.02902	1.2
75.04430	0.7
79.05476	1.3
81.03416	1.7
81.07045	1.3
83.05000	1.9
85.02892	15.4
89.03913	2.3
91.05450	1.7
95.04932	1.0
97.02874	2.9
99.04420	0.8
107.04942	1.7
107.08566	1.1
117.03363	3.6
129.05476	5.7
135.04424	8.6
145.02811	6.8
147.04379	0.9
147.06462	1.8
163.03888	100.0
164.09230	1.6
167.07065	1.1
181.04974	3.0
237.49414	0.7
309.09689	2.6
325.09143	18.6
471.14441	1.0
594.82727	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.1
57.03425	2.2
68.33067	0.9
69.03425	1.8
71.04980	12.0
71.70515	1.3
73.02902	1.2
75.04430	0.7
79.05476	1.3
81.03416	1.7
81.07045	1.3
83.05000	1.9
85.02892	15.4
89.03913	2.3
91.05450	1.7
95.04932	1.0
97.02874	2.9
99.04420	0.8
107.04942	1.7
107.08566	1.1
117.03363	3.6
129.05476	5.7
135.04424	8.6
145.02811	6.8
147.04379	0.9
147.06462	1.8
163.03888	100.0
164.09230	1.6
167.07065	1.1
181.04974	3.0
237.49414	0.7
309.09689	2.6
325.09143	18.6
471.14441	1.0
594.82727	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1441
Annotation	Quercetin 3-glucosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
50.48602	0.5
50.55978	0.5
53.03930	0.6
53.96132	0.5
57.03416	2.6
57.44173	0.5
59.06110	1.3
60.37085	0.5
60.47587	0.5
69.03094	0.8
69.03423	9.2
69.69593	1.5
69.70002	3.0
71.04961	1.0
81.03390	1.2
81.07049	1.1
83.04951	0.7
85.02891	8.1
85.07655	9.0
86.09675	0.6
87.04453	4.7
91.05423	0.6
97.02868	5.2
98.21513	1.2
99.04394	0.7
100.11231	1.1
101.07102	0.8
107.08571	0.8
109.10202	0.7
111.00821	0.6
115.03904	4.3
121.02843	1.6
121.25625	0.6
123.04371	0.6
127.03882	1.5
127.69685	0.7
132.44279	0.6
133.04947	3.5
135.11635	0.9
137.02330	2.1
144.11282	0.6
145.05011	0.7
145.09682	1.5
147.04520	0.7
153.01808	3.2
163.03859	1.6
164.07132	0.7
165.01811	1.9
167.07013	0.9
173.05867	0.7
177.05412	0.8
181.04964	1.7
182.15413	0.9
183.02876	0.8
201.05495	1.5
209.16394	0.6
210.14873	0.8
219.06644	0.6
229.04889	3.6
233.08147	0.9
235.59396	0.5
257.04373	2.9
274.04614	0.7
280.70190	0.6
285.03897	1.3
303.04950	100.0
304.05179	1.3
315.04977	0.8
345.06012	1.6
417.15286	1.9
435.09045	2.2
453.34113	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.4
55.01856	6.6
55.05505	29.4
57.03426	11.0
59.04991	3.7
59.74068	2.5
65.03933	3.8
67.05495	100.0
69.03426	21.9
69.07047	9.4
70.30114	11.4
71.04977	6.4
76.68877	2.8
79.05478	55.1
81.03403	49.8
81.07044	41.6
83.04974	35.0
83.08609	11.7
85.02885	8.1
85.06543	5.2
91.05462	51.6
93.06438	3.7
93.07030	57.7
93.07584	5.2
95.04954	20.3
95.08590	24.2
95.65277	3.0
97.02880	10.3
97.06527	7.2
97.10159	9.7
98.20760	3.4
99.04443	6.4
105.07008	35.2
107.04922	6.5
107.08578	21.5
109.02879	8.4
109.06505	7.4
109.10134	52.2
110.10584	2.7
111.04410	6.9
117.07008	11.5
119.08556	29.7
121.06541	3.6
121.10126	10.1
123.08079	6.9
125.09593	6.8
127.03900	13.2
128.06242	3.3
129.05472	4.8
129.06982	14.8
131.08560	9.1
133.10114	11.8
135.08049	11.5
137.09604	4.7
140.26437	2.5
143.08540	11.2
145.10075	8.9
147.08072	3.9
147.11668	24.4
149.02386	2.8
151.58952	2.8
155.08575	2.7
155.10614	3.0
157.10098	4.6
159.08115	6.0
159.11661	5.8
161.09618	4.0
161.13245	8.9
163.11130	3.6
167.10779	3.7
171.11684	22.0
173.04436	2.9
173.09645	3.6
173.11742	21.0
173.13158	5.2
180.93086	2.5
183.08076	4.0
189.11307	5.1
189.12770	10.1
193.04941	4.6
207.13741	25.7
227.12759	4.5
229.14308	23.5
232.61800	2.7
250.68105	2.8
281.17413	43.0
287.16431	4.4
299.14804	6.7
355.17419	3.2
373.18549	25.5
421.29456	4.5
435.27405	67.2
579.31445	47.8
597.39569	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	598.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41659	1.0
53.03923	1.5
55.01868	1.6
61.02934	2.0
69.03417	4.2
69.70399	1.1
72.42284	1.0
73.90026	1.0
75.76351	1.2
79.05483	3.5
81.03414	13.5
81.07049	1.3
85.02898	9.8
91.05478	1.6
95.04961	2.1
97.02894	2.5
103.05456	2.7
105.07024	1.5
107.04951	6.8
107.35265	1.0
109.02846	1.5
115.05452	4.7
116.06161	1.1
117.07010	12.7
123.04425	2.7
124.05236	1.9
127.03914	2.4
129.06996	2.3
131.04927	1.1
131.08546	3.3
133.06487	1.4
135.08141	1.2
135.42162	1.0
141.07040	1.2
144.05699	2.3
145.04982	1.9
145.06467	29.6
147.04384	1.4
152.04742	1.2
155.05977	2.6
156.05679	6.3
157.06526	2.2
159.08022	6.6
161.05991	3.0
167.07025	44.2
173.05962	54.8
174.06364	1.1
175.07556	1.3
176.45563	1.2
180.08662	3.7
181.04900	1.5
183.06581	1.4
184.05142	2.0
187.07538	6.7
190.06229	33.5
190.07925	2.0
191.06989	1.8
193.08549	3.0
202.06268	4.0
203.07014	6.2
205.08577	100.0
207.06551	1.5
211.07416	1.2
217.08577	38.9
219.10159	2.9
223.09607	2.7
231.08069	1.5
235.09616	25.1
239.29010	1.3
247.07393	1.5
247.09612	5.6
248.08353	1.4
265.10730	27.6
269.08194	1.8
271.09662	2.6
291.10080	1.8
293.08188	1.9
307.09604	1.4
308.10208	1.7
315.08572	4.8
323.12808	1.7
330.10782	5.6
331.11615	2.6
338.28769	1.4
351.12396	3.4
371.14963	3.6
383.14972	10.0
401.15906	11.2
487.77670	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	4.3
55.01854	4.9
55.05502	10.5
57.03407	5.6
61.02934	7.7
61.64353	3.8
65.53307	4.8
67.05496	18.9
69.03405	18.0
69.07040	17.3
70.06574	7.1
71.04977	8.9
71.69967	6.8
79.05473	22.6
81.03393	8.2
81.07042	62.3
83.08606	22.5
85.02887	23.6
85.06528	95.2
86.09711	4.7
91.05465	12.7
93.07028	49.1
95.04980	4.7
95.08594	32.8
97.02884	10.8
97.06508	13.6
97.10131	4.6
99.04416	5.0
99.08069	13.7
105.07030	32.7
107.04930	6.4
107.08577	36.6
109.06482	10.1
109.10130	13.8
111.08079	20.1
117.07018	5.0
119.04832	4.4
119.08573	28.1
121.06490	6.4
121.10131	62.9
122.06056	4.7
123.08082	4.8
123.11700	33.1
125.05956	7.8
127.03912	8.6
127.79430	4.5
129.05431	5.6
133.10120	12.7
135.11676	11.0
139.07498	37.5
143.08575	4.9
145.04959	8.8
145.59760	4.2
147.04390	11.0
147.07932	6.4
147.11639	5.7
149.09605	8.1
155.07033	6.5
157.06601	4.3
157.08575	60.9
159.11650	6.5
161.13235	49.2
163.03848	7.5
164.07176	4.7
167.06995	6.2
167.10635	8.8
177.16380	21.4
179.14272	13.6
185.13264	8.2
187.16913	4.4
193.15781	4.8
195.13828	4.9
195.17418	5.2
197.15359	9.2
203.14281	11.9
209.15317	6.1
213.18477	4.6
216.66037	4.2
221.15321	41.1
239.16444	27.2
257.17435	100.0
311.14789	9.9
436.07599	6.1
538.40088	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	599.2492
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
52.33474	0.8
53.03923	0.8
55.05504	2.5
57.07078	1.5
58.45766	1.0
63.69258	0.9
67.05489	4.5
67.58160	1.0
69.03403	1.9
69.07043	1.6
79.05476	2.5
81.07052	5.8
83.04969	2.6
83.08603	1.8
91.05463	3.6
93.07018	5.0
95.04964	1.8
95.08579	5.4
97.06523	1.7
98.20731	2.2
105.07005	6.5
107.08559	2.9
109.10150	1.8
119.08543	7.2
121.10149	5.3
123.08018	2.4
131.08603	2.2
131.41512	1.0
133.06523	1.0
133.10117	3.1
135.07976	1.1
137.09587	1.9
139.58374	1.0
142.07755	2.0
143.08530	1.6
145.10129	3.6
147.08051	3.5
151.07501	2.6
155.08479	1.3
157.10109	4.1
159.11659	3.2
161.09564	1.0
161.13235	1.5
163.11150	1.5
165.09082	6.0
167.08607	1.1
169.10162	1.9
171.11661	2.4
173.13223	1.3
175.14827	1.3
181.10216	1.4
181.12192	1.9
183.11681	2.3
185.13271	1.2
193.10150	1.0
197.13280	1.7
203.14244	1.4
209.11116	1.2
209.13193	1.2
221.15269	11.7
222.11426	1.5
223.12386	1.7
235.12500	1.0
236.13049	1.1
237.13889	3.6
238.14577	1.6
247.16937	3.0
249.10207	2.0
249.13812	1.6
250.14716	1.3
251.11862	1.7
251.15468	1.6
261.13980	2.3
262.13959	1.0
262.46240	1.0
264.12778	1.2
279.14767	1.8
280.15741	1.4
287.19769	1.3
299.20255	2.0
301.21478	1.0
313.22165	1.0
314.16449	1.1
325.14920	1.6
326.16101	1.2
328.17911	2.0
329.18845	1.3
330.19702	1.6
338.15704	1.0
339.16068	4.9
340.17343	2.9
341.17572	1.2
349.50348	1.2
350.16101	1.1
351.16132	2.0
352.17728	1.8
353.17612	6.9
354.18231	7.9
358.19107	2.3
363.16248	2.1
364.17056	2.7
365.17868	4.9
366.18741	1.9
367.15393	1.3
367.19403	2.3
368.20187	2.2
369.20718	24.6
370.21597	2.0
377.17767	2.1
379.19254	11.0
380.19882	2.0
381.16846	2.2
381.20859	2.6
391.19336	1.9
391.26593	1.2
393.21100	1.9
395.18521	1.6
397.20242	9.3
398.21216	1.7
405.16827	1.3
407.18518	2.2
409.20074	3.1
410.18173	1.2
423.21896	3.3
424.22430	1.2
425.19650	28.0
426.20700	2.1
427.21448	1.5
433.20496	1.3
437.19620	3.7
439.21765	1.3
441.23184	2.1
448.18671	1.5
451.21356	14.9
452.22009	4.2
453.19183	3.6
454.19434	1.3
455.24493	4.2
456.25525	5.7
461.19913	1.5
462.20645	3.4
465.22958	1.9
467.24579	2.9
468.21915	1.7
469.22366	2.7
479.20605	2.1
480.21527	1.1
483.24030	3.1
484.24496	7.2
491.20905	1.2
493.22110	1.4
495.23322	1.7
497.21866	2.3
507.34570	1.6
510.23007	1.5
511.23639	5.6
512.24152	60.5
513.24396	3.1
519.34131	1.3
521.21796	5.0
539.22839	60.9
540.23505	2.8
555.26215	1.8
581.24005	2.0
582.22192	3.9
599.24921	100.0
599.40979	6.8
600.24994	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	599.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43375	1.3
53.03943	3.4
53.45581	1.2
53.45860	1.2
55.01853	3.1
55.05503	12.4
55.14810	1.3
57.03426	2.3
57.07066	6.1
59.04990	3.3
65.03936	2.7
67.05492	19.7
69.03423	11.2
69.07054	12.9
69.36701	15.4
71.04979	3.9
71.32799	1.2
74.65501	1.3
79.05479	21.7
81.03419	5.8
81.07046	26.1
83.04958	13.0
83.08617	6.0
85.06528	4.6
85.68027	1.3
86.12775	1.5
91.05463	31.1
93.07025	29.0
95.04947	17.7
95.08583	23.1
95.09117	1.9
97.02867	1.3
97.06521	7.6
97.10214	2.8
101.09624	1.3
103.05464	3.1
105.07007	53.6
106.74108	1.4
107.04965	4.5
107.08575	34.7
109.06506	11.8
109.10133	14.6
111.08076	4.2
113.09615	1.5
115.05470	5.3
116.06229	2.4
117.07001	10.1
119.04946	2.2
119.08558	45.3
121.06490	10.5
121.10126	37.3
121.10964	2.0
123.04417	1.6
123.08044	16.5
123.11709	5.1
125.05957	2.5
125.09585	6.5
128.06181	7.1
129.07007	11.2
130.07797	3.1
131.08546	22.4
133.06502	4.8
133.10106	25.1
133.40218	1.3
135.08029	16.4
135.11665	8.4
137.06004	1.7
137.09592	7.2
139.07545	2.7
139.11230	1.9
141.07033	6.0
142.07768	12.6
143.08543	27.6
143.09612	1.9
144.09346	8.9
144.88614	1.6
145.06451	2.4
145.10092	34.0
146.10950	1.5
147.04428	6.1
147.08023	18.8
147.11678	9.9
149.09581	14.9
151.07512	12.4
151.11136	3.0
153.07001	2.8
153.09132	2.1
154.07803	2.3
155.08553	12.7
155.10661	1.8
156.09319	13.3
157.10106	31.4
157.31467	1.3
158.10916	3.4
159.08020	11.2
159.11665	18.3
160.08899	2.1
161.09583	8.0
161.13264	7.0
163.11203	10.2
165.07021	4.0
165.07767	1.7
165.09106	21.9
166.07796	1.7
167.08574	6.2
167.09291	1.5
167.10641	16.3
168.09372	6.2
169.10091	21.2
170.10942	5.5
171.08116	2.4
171.11656	21.3
173.09575	7.2
173.13199	11.4
175.11128	7.0
175.14720	3.1
177.09157	2.7
177.12900	2.1
179.08511	6.4
179.10718	2.5
180.09377	3.7
181.10103	11.5
181.12285	4.4
182.10909	6.0
183.11668	18.1
184.12468	1.7
185.09616	3.5
185.13208	10.0
187.11240	6.0
187.14885	5.8
189.12750	7.0
191.14304	4.1
192.09352	1.4
192.93236	1.4
193.10184	6.6
193.12160	2.3
193.36757	1.3
194.10957	4.4
195.11656	12.8
196.12445	3.6
197.09563	1.6
197.13231	16.2
199.11240	5.3
199.14867	4.9
201.12766	4.6
203.14246	11.3
205.10283	2.6
205.12286	1.8
206.10898	3.3
207.11742	10.1
207.13852	10.6
208.12502	5.5
208.14365	1.7
209.09790	2.1
209.13290	11.5
209.15286	2.8
210.14055	1.3
211.11182	3.2
211.14868	5.9
213.12840	4.3
213.16370	3.1
215.14374	3.1
217.10219	1.5
217.12260	2.2
217.15959	1.8
218.10902	1.6
219.11765	2.5
220.12587	1.9
221.13272	6.5
221.15280	41.6
222.13988	1.8
223.11293	3.7
223.14812	10.8
225.12732	5.0
225.16440	3.4
227.14458	2.7
229.12155	1.7
231.11673	3.3
232.12613	2.7
233.13257	4.0
233.15312	32.9
234.13918	2.2
235.14891	5.8
235.16995	1.9
236.15808	2.1
237.12749	2.2
237.14648	2.4
237.16652	2.8
239.14333	2.4
239.18004	2.7
241.15868	3.7
245.13208	3.5
247.14883	3.4
247.17163	3.1
248.15797	1.8
249.12755	2.0
249.16594	1.6
250.13567	1.5
251.14099	2.9
253.15945	1.6
257.18930	1.6
258.14151	2.4
259.14795	2.2
260.15527	2.2
261.16440	3.6
263.17960	2.6
267.17438	1.7
269.19080	4.0
271.14716	1.5
275.20331	1.9
281.19012	8.3
283.20822	2.4
285.18719	2.1
286.19327	3.9
287.20248	2.8
289.19418	1.7
291.19995	2.1
295.20743	1.7
299.20117	8.3
307.17062	1.6
307.20624	1.7
311.20175	1.9
312.20816	2.4
345.22333	1.8
349.21558	1.8
351.22958	1.8
352.24042	2.7
364.24088	3.3
365.24902	3.5
373.25433	3.8
377.24911	2.1
391.26431	3.4
415.27762	1.6
441.29880	2.1
453.31046	1.5
489.33725	4.8
493.33017	3.5
507.34659	74.0
563.38824	2.1
581.39795	8.2
599.40967	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	1.7
55.01830	0.7
55.05502	5.0
57.07065	7.2
58.33710	0.6
59.04996	3.5
59.42140	0.5
63.11282	0.5
65.03918	1.1
67.05492	10.1
69.03091	0.7
69.03410	7.8
69.07056	4.0
79.05474	10.6
81.03383	1.3
81.07042	13.7
83.04967	3.1
83.08572	1.9
83.39320	0.5
85.06516	3.8
91.05463	19.3
93.07030	23.4
95.04948	7.7
95.08023	0.7
95.08591	14.6
97.06508	3.1
98.21528	1.0
103.05415	1.9
105.07007	27.9
107.04951	1.4
107.08576	15.2
109.06491	7.0
109.10134	5.4
111.08038	1.4
115.05393	1.8
116.06204	0.7
117.06995	7.2
119.04872	1.1
119.08557	30.5
121.06476	4.0
121.10124	14.1
122.07257	0.7
123.04396	0.6
123.07251	0.9
123.08053	13.1
123.11660	1.6
125.05952	3.7
125.09535	0.8
128.06212	3.0
129.06970	7.3
130.07713	2.0
130.80011	0.6
131.07664	0.8
131.08549	13.3
133.06424	2.3
133.10094	13.4
135.08031	10.1
135.11650	3.7
137.05916	1.4
137.09598	13.2
139.07491	2.0
139.11090	0.7
141.06998	3.0
142.06815	0.7
142.07759	7.2
143.08537	11.6
144.09279	3.0
145.06430	1.1
145.10097	19.5
147.08015	24.5
147.11638	4.5
148.08730	1.4
149.09587	5.1
151.07503	10.6
151.11075	0.6
151.86951	0.6
153.06931	1.6
153.09097	1.0
154.07774	1.1
155.08533	6.1
156.09340	6.9
157.08862	1.2
157.10103	19.8
158.10873	1.1
159.08034	3.7
159.11670	9.7
160.08850	0.9
161.09575	5.3
161.13225	5.2
163.11147	7.0
165.06863	1.8
165.09087	47.3
166.07706	0.7
167.08533	3.6
167.10611	2.3
168.09290	3.5
169.10104	8.2
170.10931	3.7
171.08084	0.6
171.11658	9.9
172.08755	0.7
172.12451	0.8
173.09604	5.1
173.13217	3.0
174.10364	1.0
175.11104	2.8
175.14757	2.5
177.09081	1.6
177.12759	0.9
179.08501	2.1
179.10580	1.1
180.09305	0.7
181.10118	4.2
181.12184	6.5
182.10847	2.5
183.11659	11.7
185.09566	1.8
185.13219	8.1
186.10387	0.9
187.11157	2.9
187.14815	2.6
188.11897	0.8
189.12715	4.1
191.10657	3.2
191.14256	1.4
192.11348	0.8
193.10062	2.4
193.12135	1.0
194.10844	2.6
195.11635	5.1
195.13710	1.6
196.12422	2.3
197.09610	0.9
197.13228	5.0
198.10289	0.8
199.11140	1.8
199.14809	1.8
201.12701	1.7
201.16344	1.1
203.14291	17.2
205.10069	1.2
206.10953	1.2
207.11664	4.3
207.13748	6.5
208.12433	0.7
209.13210	4.8
210.13957	1.2
211.11101	2.1
211.14793	5.7
213.12682	2.5
215.10696	0.8
215.14291	1.5
219.11781	1.1
219.13719	0.8
220.12389	0.9
221.15321	100.0
222.15712	0.8
223.14822	1.5
225.12720	2.1
225.16409	1.2
227.14261	1.9
227.17799	0.9
229.12300	0.7
229.15909	1.6
229.85941	0.8
231.11664	1.3
231.13785	1.3
233.13196	1.6
233.15372	1.8
234.13924	0.6
235.14786	1.5
235.16884	0.7
237.12697	1.1
237.16405	1.6
239.14323	1.4
239.17816	1.0
241.15616	0.7
245.15364	0.9
247.14709	1.4
247.16931	13.5
249.12656	0.9
249.16260	0.8
251.14212	1.1
253.15849	0.9
257.15396	0.9
261.18533	1.3
263.17908	1.2
265.15668	0.8
269.18924	1.1
271.16931	0.8
273.16199	1.1
281.18985	1.5
283.17087	0.6
283.20435	0.9
285.18637	1.1
286.19376	1.1
287.20056	7.3
291.17307	0.7
293.19055	1.0
295.20615	1.2
299.20102	6.0
301.21490	2.0
311.20013	2.1
313.21619	1.4
325.21597	1.8
327.23102	2.3
335.19778	0.8
347.23553	0.8
365.24704	5.1
373.25287	0.9
377.24734	0.7
391.26218	9.7
413.26810	1.6
419.29416	2.7
427.28433	5.0
441.30325	0.7
453.29922	1.8
507.34695	8.1
519.34686	2.9
581.39539	2.8
599.24738	2.0
599.40863	51.5
600.41510	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76389	0.2
55.05494	0.3
56.05033	1.0
57.03421	0.3
58.06564	1.2
59.12749	0.2
60.08151	12.5
67.05488	0.8
68.50771	0.2
69.03412	0.6
69.07049	0.5
70.06570	0.4
71.04978	0.3
71.07359	4.7
71.07699	0.2
71.70964	0.3
72.08113	0.2
79.05483	0.7
81.03400	0.6
81.07047	1.0
84.08125	0.4
85.02910	1.3
85.06506	0.3
86.09689	30.0
87.10033	0.2
89.46922	0.2
91.05477	0.9
93.07024	0.6
95.04961	0.4
95.08588	0.7
97.02867	0.4
98.98450	3.5
104.10722	100.0
105.07040	0.5
105.11068	0.9
107.04965	0.3
107.08572	0.6
109.02865	0.3
109.06486	0.3
109.10152	0.5
116.99506	0.2
117.35620	0.2
119.04916	0.3
119.08582	0.7
120.08101	0.2
121.02892	0.2
121.10128	0.8
123.04420	0.4
124.99979	21.1
127.03881	0.5
133.10121	0.4
135.08012	0.2
136.07562	0.5
137.06041	0.4
143.01021	0.4
145.02829	0.4
147.04370	1.4
156.92902	0.2
163.03935	0.7
164.07060	0.3
177.05463	0.5
184.07307	25.3
251.17770	0.2
256.09515	0.3
257.12726	0.2
283.10864	0.3
284.08932	0.3
289.18939	0.2
420.28546	0.3
438.29721	25.0
439.30164	0.8
459.27542	0.3
582.33844	0.3
600.34943	12.1
601.26172	1.2
601.35168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.3
56.05032	1.0
57.16223	0.2
58.06578	1.1
59.07367	0.2
60.08152	13.1
62.14471	0.2
67.05484	0.7
69.03409	0.4
70.06588	0.2
71.06992	0.3
71.07359	4.1
71.70885	0.2
71.71248	0.2
79.05452	0.4
81.03391	0.7
81.07053	1.1
83.08633	0.2
85.02892	0.5
86.09688	28.8
87.10012	0.3
91.05466	0.5
93.07021	0.5
95.04951	0.3
95.08591	0.8
97.02872	0.3
98.98456	3.4
104.10721	100.0
105.06964	0.3
105.11034	1.0
107.08598	0.3
109.10136	0.4
119.04946	0.2
119.08532	0.2
121.10139	0.3
124.99981	19.9
127.03902	0.3
133.06476	0.2
133.55138	0.2
143.01010	0.2
145.02840	0.3
145.10104	0.2
147.04384	1.1
155.83046	0.2
163.03912	0.3
164.88730	0.2
167.07231	0.2
177.05446	0.8
184.07309	27.5
213.03204	0.2
249.06573	0.2
411.11316	0.2
438.29718	19.1
439.30054	0.8
456.64191	0.2
459.27591	0.3
600.34967	15.9
601.26105	0.2
601.35205	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19715	7.6
53.93884	8.0
55.05507	11.5
57.07056	21.0
66.06116	8.4
67.05489	25.1
68.08670	7.8
69.03419	16.0
69.07047	9.3
79.05485	23.2
81.07044	35.2
82.49570	8.6
83.04953	12.0
83.08616	25.3
85.06540	8.6
91.05476	46.4
91.84181	8.2
92.65454	10.2
93.07012	61.4
95.04945	20.3
95.08600	32.4
97.06529	19.9
105.06997	65.2
107.08585	45.7
109.06462	9.0
109.10133	36.9
113.09605	13.0
117.06982	14.8
119.08567	53.0
121.10122	32.6
123.08057	32.2
123.11655	8.9
125.09621	11.6
131.08554	34.0
133.08589	16.7
133.10074	49.6
135.08046	11.4
137.09579	11.7
139.11046	9.5
142.07742	10.2
143.08568	31.3
144.09340	9.5
145.06433	22.0
145.10120	56.2
147.08052	17.0
147.11674	12.8
148.21474	9.3
151.07509	12.1
155.08542	24.6
155.10648	13.5
157.10095	58.0
158.10942	10.2
159.08037	23.1
159.11684	36.1
160.08813	100.0
161.09528	13.2
163.11140	21.1
165.09094	22.9
169.10114	25.5
170.10918	13.5
171.08058	12.4
171.11674	32.1
173.09616	13.7
175.11140	12.1
179.08609	14.1
181.12207	41.0
183.11688	22.2
185.13226	19.1
195.11697	12.8
197.13292	20.3
201.12750	9.7
203.14363	21.5
208.14563	12.4
209.13220	16.5
211.14815	16.5
215.14445	9.5
219.13864	11.8
221.15280	83.0
223.14810	10.8
225.16420	12.6
225.52725	9.3
234.16190	22.0
239.18071	9.8
243.71884	10.8
247.16939	17.0
286.19281	22.1
287.20248	13.7
299.19952	20.7
352.23865	30.5
365.24649	13.3
440.28992	25.8
454.23923	11.5
520.35297	37.0
600.41528	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	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
55.05502	10.0
57.07061	8.6
59.05000	5.6
64.58933	3.8
67.05489	18.6
69.03403	8.0
69.07071	10.7
70.06068	20.5
79.05470	14.7
81.07055	26.8
81.07460	5.0
83.04964	8.4
83.08602	6.8
85.06509	12.5
85.47073	4.0
89.06003	7.3
91.04999	4.1
91.05461	27.8
93.07023	31.8
95.04982	10.0
95.08591	24.2
97.06512	8.8
98.88654	4.2
101.40186	3.8
105.07009	51.7
107.08586	24.0
109.06505	6.9
109.10159	10.1
117.06989	13.7
119.04870	6.1
119.08572	62.5
120.08910	6.0
121.06495	7.4
121.10129	19.4
123.08049	12.4
124.24056	4.1
125.05991	8.1
128.06221	8.1
129.07018	6.7
130.07857	4.1
131.08530	20.8
133.08583	5.5
133.10114	26.7
135.08026	17.3
135.11624	7.3
137.09596	12.2
142.07730	16.1
143.08572	24.9
144.09335	8.0
145.10141	42.4
147.08026	25.7
147.11644	9.1
149.09624	9.5
151.07573	9.5
155.08571	10.9
156.09305	10.5
157.10104	31.0
159.08022	7.8
159.11690	22.2
160.08766	4.8
161.09599	13.4
163.11153	13.8
165.09105	44.8
168.09317	5.4
169.10109	16.4
170.10828	6.5
171.11710	15.3
172.12305	7.4
173.09624	6.7
173.13243	10.6
175.11116	15.4
175.14891	4.1
177.12622	4.7
181.10051	7.1
181.12173	11.5
183.11681	12.1
184.12346	4.7
185.13231	10.7
187.11166	7.0
189.12796	8.7
190.13591	6.9
193.10046	9.2
193.12111	5.6
195.11713	9.2
197.13188	9.3
199.14821	6.8
201.12718	8.6
203.14270	17.3
207.11742	6.9
207.13750	11.3
209.13280	4.7
211.11119	4.6
211.14725	5.0
213.16296	4.7
219.13754	7.0
221.15320	100.0
222.15692	11.5
227.14536	4.6
231.13864	4.8
234.16246	15.3
238.56088	4.6
247.16949	21.8
267.17462	5.3
271.16940	6.1
274.19250	16.5
281.18860	4.9
287.20062	11.6
299.20056	10.0
312.20737	10.6
313.21658	9.1
325.21613	18.0
340.23889	16.9
352.24051	22.9
353.24496	4.6
365.24493	8.5
379.26477	6.3
387.25354	5.6
407.68597	4.5
413.27094	6.3
419.29407	8.4
421.58209	4.8
427.28256	14.1
440.29163	31.3
454.30182	4.5
508.35962	4.6
520.35315	28.9
600.40790	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17103	1.2
53.03943	2.1
55.05499	4.4
57.07068	10.6
59.04985	3.0
61.17856	1.5
62.03193	1.3
67.05492	11.9
68.05805	1.4
69.03415	9.9
69.07056	6.4
70.57852	1.5
71.04976	2.1
79.05469	12.6
80.10882	1.2
81.07044	17.6
81.73034	1.3
83.04983	4.1
83.08614	2.1
85.06537	5.3
91.05460	22.9
92.05769	2.7
93.07021	30.7
94.07318	1.7
95.04958	8.3
95.08590	18.0
96.08936	1.7
97.06502	5.2
98.21451	3.9
103.05473	1.7
105.07015	40.9
106.07290	2.2
107.08575	22.1
109.06486	11.3
109.10136	7.7
115.05428	2.3
117.06994	12.4
119.08561	44.8
120.08875	2.7
121.06503	6.2
121.10120	20.0
122.07294	2.4
123.08053	17.3
123.11659	1.8
125.05961	8.2
128.06221	4.5
129.07004	8.3
130.07761	3.1
131.08536	19.2
133.06441	2.3
133.10098	20.1
134.10437	2.0
135.08022	18.3
135.11659	5.9
137.05945	2.2
137.09599	11.4
139.07483	2.1
141.06982	3.3
142.07755	11.2
143.08524	17.3
144.09282	5.8
145.06450	3.7
145.10103	35.0
146.10423	2.8
147.08035	27.5
147.11665	8.3
149.09552	10.8
151.07492	12.1
151.11189	1.8
155.08536	8.7
156.09357	8.0
157.10106	28.3
158.10806	6.0
159.08035	6.6
159.11681	21.6
160.08794	3.2
160.12155	2.8
161.09613	12.0
161.13260	5.2
163.11151	16.8
164.11491	1.6
165.06998	2.8
165.09091	49.0
166.09438	6.2
167.08531	5.5
168.09290	3.7
169.10109	13.7
170.10840	5.6
171.08026	2.4
171.11667	17.1
172.12144	3.3
173.09586	9.3
173.13239	9.9
175.11137	17.6
175.14751	2.0
177.09087	4.1
177.12735	3.0
178.09866	2.5
179.08472	3.5
180.09370	2.4
180.11406	2.4
181.10139	8.8
181.12177	15.8
182.10800	4.2
183.11641	14.2
184.12137	3.5
185.09630	4.2
185.13214	9.1
186.13777	1.9
187.11221	6.7
187.14764	3.6
189.12708	6.4
190.13542	8.0
191.10686	5.0
191.14267	3.3
192.09328	1.6
193.10132	4.8
193.12236	11.7
194.10858	3.2
195.08148	1.5
195.11748	9.3
195.13300	1.5
196.12411	4.0
197.09447	1.7
197.13193	10.8
199.11137	5.8
199.14883	4.4
201.12717	6.7
203.14276	19.7
204.14711	3.2
207.11696	4.8
207.13797	12.4
208.12523	3.6
208.14484	7.3
209.13240	10.3
210.13885	1.7
211.11131	4.4
211.14815	6.8
212.15503	2.7
213.12726	5.0
213.16389	1.9
215.14339	3.8
217.12073	2.0
219.11752	2.5
219.13646	7.5
221.13219	4.2
221.15309	100.0
222.15685	17.4
223.11037	2.5
223.14816	3.6
224.15468	2.0
225.12677	4.2
225.16367	4.4
227.14244	3.4
227.17793	1.5
229.15787	2.8
233.13173	3.0
233.15320	4.0
234.16090	17.0
235.14749	3.7
237.12720	3.4
237.16434	2.5
240.14740	1.4
241.15923	2.4
243.13791	2.3
245.13309	1.6
246.35294	1.6
247.14754	2.2
247.16930	25.7
248.17566	4.0
249.12712	1.8
249.16257	3.1
251.14188	2.5
253.15834	2.3
259.16974	4.0
260.17746	1.9
261.18512	3.5
263.14288	2.6
263.17783	1.9
267.17398	3.2
269.18896	1.6
271.17032	4.6
272.17593	1.9
273.18625	2.1
274.19208	9.7
279.17468	2.3
281.18994	3.1
282.19666	1.8
285.18622	2.9
286.19238	4.6
287.19971	10.8
288.20352	1.8
297.18536	3.0
298.19299	2.2
299.19907	13.7
300.20688	2.5
311.20087	3.8
312.20865	5.2
313.21594	4.8
325.21524	13.0
326.22293	2.4
327.23184	2.5
337.21579	4.4
339.23212	4.1
340.23886	10.6
352.23856	30.3
353.24506	3.2
365.24680	6.8
366.25211	3.4
377.24594	2.8
379.26224	3.1
387.25308	4.9
391.26370	2.7
392.26678	5.4
400.25690	2.4
413.26773	2.7
419.29425	9.1
420.30072	4.0
425.26733	6.0
426.27484	3.0
427.28439	10.2
428.28879	3.3
440.29083	32.0
441.29529	3.3
442.30649	3.4
453.30215	2.1
454.30298	2.0
505.32962	1.7
507.34619	4.6
508.35269	10.3
520.35370	31.5
521.36047	3.9
582.40100	2.1
585.38965	3.1
600.31635	2.4
600.41284	42.6
601.41510	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40664	17.2
55.05502	36.8
57.07068	27.9
60.71753	13.8
63.21959	19.5
64.38752	15.1
67.05490	100.0
69.07034	43.7
69.98045	16.0
78.46152	15.7
79.05492	31.9
81.07058	80.6
83.08560	23.1
84.73965	13.7
91.05459	51.1
93.07005	50.0
95.08582	61.9
97.61287	15.5
105.06990	54.4
107.08566	65.4
107.86257	17.1
109.06568	17.0
109.10165	46.1
119.08550	72.7
121.10121	40.7
131.08545	26.8
131.87680	17.0
133.10039	17.9
135.11545	20.4
141.79684	16.1
143.08482	25.1
145.10110	35.3
149.09665	20.2
157.10083	21.1
158.39391	20.0
159.11656	16.0
165.09053	17.9
165.30373	17.1
171.11690	21.1
187.14743	17.2
221.15398	59.7
231.92706	16.8
299.19440	17.9
421.93607	17.1
489.35477	22.7
520.35144	22.9
600.50439	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85698	1.8
55.05508	4.0
56.05830	2.0
57.07061	8.1
57.31639	2.0
59.04993	2.2
67.05492	10.2
69.03417	5.9
69.07050	4.8
69.43439	22.7
79.05465	12.9
81.07048	17.3
83.04970	5.1
83.08615	2.5
85.06529	5.8
90.53893	2.1
91.05453	19.4
93.07027	32.9
94.07343	2.5
95.04955	7.6
95.08585	20.5
97.06509	4.5
103.05408	2.1
105.07006	34.1
106.07322	3.4
107.08568	23.0
109.06481	9.7
109.10152	6.7
117.06999	8.0
119.08556	37.1
120.08893	7.4
121.06498	7.1
121.10110	19.4
122.10446	2.5
123.08052	15.2
125.05968	5.6
128.06183	3.3
129.06996	4.9
131.08525	15.7
133.06435	2.9
133.10092	19.6
134.10420	2.9
135.08002	12.1
135.11646	7.4
137.09587	9.8
141.06914	2.4
142.07770	8.4
143.08536	12.9
144.09334	3.3
145.10091	29.5
146.10466	4.0
147.08014	26.5
147.11667	5.4
148.08386	2.6
149.09616	6.6
151.07530	12.9
151.11137	2.3
155.08536	6.7
156.09296	6.1
157.10120	21.5
158.10487	5.8
159.08098	2.6
159.11681	18.1
160.12029	2.2
161.09544	6.3
161.13202	6.1
163.11165	8.3
164.11510	2.0
165.09099	46.4
166.09441	7.1
167.08516	3.7
169.10033	10.8
170.10695	4.6
171.11659	9.8
172.12134	2.6
173.09563	3.6
173.13286	3.7
175.11205	8.7
175.14757	3.7
176.11540	2.3
177.08987	2.4
179.08580	4.0
181.10034	4.8
181.12204	9.9
182.10764	4.6
183.11656	8.8
185.13243	7.3
187.14809	3.7
189.12677	4.9
190.13268	2.2
191.10699	2.7
193.10172	2.0
193.12250	4.9
195.11626	6.6
196.12300	3.7
197.13205	6.5
198.13553	4.5
199.11070	3.2
201.12735	4.0
203.14287	16.8
204.14615	3.2
207.13762	8.7
208.14294	3.9
209.13217	6.2
211.14835	4.9
213.12566	2.7
215.14154	2.4
219.13855	2.6
221.13319	4.8
221.15312	100.0
222.15671	17.1
223.14763	2.9
225.16203	2.7
227.14326	3.1
229.12160	2.5
233.13094	3.2
234.16049	5.6
247.16904	8.8
248.17308	5.8
251.14178	2.4
271.17078	2.4
282.19547	2.7
285.18231	3.5
287.19888	6.3
299.19888	4.5
300.20526	7.6
301.21457	3.5
312.20514	2.7
325.21423	3.4
326.22055	4.1
340.23721	4.5
341.23917	2.9
352.23831	5.9
353.24399	7.3
365.24478	3.0
367.26056	5.7
392.26859	2.3
420.29791	3.4
426.27191	2.6
428.28479	2.0
440.28983	3.1
441.29242	8.6
491.35034	7.8
508.35022	4.0
509.36130	6.1
521.35754	15.1
583.41083	9.1
601.42090	40.4
606.09222	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	601.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.05503	10.0
57.07076	11.6
59.04984	4.4
65.03928	2.0
67.05492	22.8
69.03426	10.5
69.07056	9.9
69.77097	12.0
79.05484	20.0
81.07047	23.6
83.04944	5.5
83.08597	7.2
85.06513	2.8
86.35432	1.5
91.05462	34.8
93.07031	45.1
95.04969	11.1
95.08591	26.8
96.08916	1.9
97.06500	6.7
98.21049	5.9
103.05404	3.8
105.07010	49.5
106.07336	2.4
107.04907	1.9
107.07912	2.5
107.08580	31.0
109.06489	14.4
109.10165	12.9
111.08057	2.1
113.09490	1.6
115.05431	3.2
117.06981	13.1
119.07804	1.8
119.08554	47.5
120.08891	2.0
121.06490	8.2
121.10130	23.1
122.07201	1.8
122.10455	2.0
123.08030	16.2
123.11693	2.8
125.05981	3.5
128.06175	6.3
129.06998	11.5
130.07751	5.3
131.08556	21.4
132.37193	1.5
133.06502	2.0
133.10107	25.9
134.10524	1.9
135.08020	12.8
135.11671	8.1
137.09598	14.9
139.11195	2.0
141.06946	5.1
142.07773	9.0
143.08548	16.1
144.09267	5.4
145.06409	2.9
145.10110	34.3
146.10419	2.7
147.08020	22.0
147.11696	8.9
149.09590	6.9
151.07515	15.0
151.11235	1.4
152.15215	1.6
153.06967	2.7
153.09003	2.2
154.07718	1.8
155.08562	10.2
155.10658	2.1
156.09325	9.9
157.10106	23.8
158.10738	3.9
159.08011	5.1
159.11667	17.9
160.08766	5.3
160.12054	2.2
161.09535	6.4
161.13226	9.2
163.11157	8.5
165.09094	41.8
166.09375	2.2
167.08527	4.4
168.09270	2.4
169.10085	11.0
170.10703	4.0
171.11702	10.4
172.12265	2.5
173.09619	4.1
173.13225	7.1
175.11133	5.5
175.14824	6.1
176.50636	1.5
177.09151	2.5
179.08484	3.6
179.10609	1.8
180.09094	2.5
181.10068	6.9
181.12190	10.6
182.10887	3.9
183.11664	11.9
185.09601	2.0
185.13208	8.4
185.36780	1.5
187.14809	5.1
189.12677	3.7
189.58186	1.7
191.14189	3.7
193.10077	4.2
194.10904	3.3
195.11609	6.8
196.12335	3.6
197.13223	10.7
198.13618	2.4
199.10988	2.9
199.14828	3.1
201.12704	4.1
203.14314	14.0
204.14601	2.9
206.10904	1.7
207.11742	3.9
207.13734	7.7
208.12154	1.7
208.32791	2.0
209.13167	6.9
209.15060	3.4
210.13684	1.7
211.11322	2.1
211.14781	4.1
213.16298	3.2
215.14093	2.3
219.11652	2.7
220.12289	2.1
221.13475	3.8
221.15326	100.0
222.13913	1.9
222.15726	10.3
223.14818	5.3
225.16379	2.7
234.16034	2.9
237.16405	3.2
241.19415	1.9
247.14679	1.9
247.16902	6.1
248.17337	2.6
249.16310	2.4
257.18845	1.9
259.14600	1.7
259.20483	3.8
263.17874	3.1
271.35364	1.7
274.19128	2.7
275.20007	3.0
283.20618	2.2
286.19186	3.4
287.19946	7.4
297.22122	2.9
299.20090	3.4
300.20529	5.6
301.21655	3.1
312.20581	2.8
325.21600	2.3
333.24252	2.1
340.23679	2.2
341.24359	2.8
349.25247	2.0
352.23953	4.0
353.24213	5.9
365.24869	2.2
367.26215	6.4
378.25052	1.8
391.25995	1.8
393.27643	2.7
440.29108	2.1
441.29550	8.1
491.35049	9.0
509.35776	5.3
520.35278	2.1
521.35822	11.6
583.40985	8.8
586.40131	2.0
601.42084	37.6
602.43042	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80910	0.8
53.03931	2.0
54.42199	0.9
55.01838	1.3
55.05495	6.8
57.01920	1.0
57.03423	1.3
57.07067	7.4
58.96153	0.9
59.04980	2.6
65.03919	2.3
67.05492	11.9
68.05832	1.0
69.03413	7.2
69.07055	6.8
73.21124	0.9
79.05477	12.2
81.07043	19.3
83.04959	3.6
83.08582	2.6
85.06524	3.9
91.05460	21.6
93.07027	36.5
94.07363	1.7
95.04959	9.3
95.08595	19.8
97.06525	4.2
103.05444	1.4
105.07014	35.6
106.07281	2.2
107.04941	1.2
107.07909	1.5
107.08579	19.6
108.08899	1.4
109.06492	11.4
109.10139	8.6
111.08054	3.7
115.05471	2.2
116.06289	1.5
117.07005	7.2
118.07330	1.4
119.08561	40.6
120.08870	1.6
121.06462	5.6
121.10124	22.9
122.10405	1.3
123.08035	15.3
123.11687	2.4
125.05967	4.4
125.09525	1.6
128.06212	4.0
129.06985	5.7
130.07722	2.1
130.38522	1.0
131.08534	14.8
132.09271	1.2
133.06493	4.0
133.10103	21.0
134.10616	1.2
135.08020	11.3
135.11668	7.3
137.05975	1.2
137.09586	12.8
139.07480	1.0
139.11177	1.5
141.06993	3.2
142.07745	8.7
143.08543	12.6
144.09274	3.7
145.06454	1.9
145.10098	30.3
146.10478	2.6
147.08029	24.1
147.11647	7.1
148.08531	1.8
149.09604	5.2
149.13327	1.4
150.09996	1.1
151.07500	13.1
153.09105	1.4
155.08510	6.5
156.09343	6.0
157.10095	18.3
158.10675	3.1
159.08061	4.8
159.11673	19.5
160.12152	1.7
161.09630	5.8
161.13239	6.3
162.10028	1.2
163.11163	10.2
164.11577	1.1
165.06892	3.0
165.09093	45.5
166.09407	3.4
167.08521	3.2
168.09332	2.4
169.10112	9.4
170.10863	2.8
171.08025	1.0
171.11630	10.8
172.12378	1.2
173.09612	3.6
173.13258	7.7
175.11118	5.2
175.14787	3.8
176.11639	1.3
177.09027	2.2
177.12756	1.4
179.08609	2.7
179.10643	1.8
180.09210	1.2
181.10126	3.9
181.12201	11.0
182.10844	1.4
182.12556	2.4
183.11662	10.6
184.12178	1.7
185.09698	1.9
185.13234	8.2
186.13664	1.3
187.11121	2.4
187.14775	5.3
188.11842	1.3
189.12743	5.8
190.13356	1.9
191.10593	1.8
191.14258	2.9
192.09430	1.4
193.10100	3.2
193.12163	2.9
194.10858	2.3
194.12621	1.3
195.11656	7.4
195.13264	1.0
196.12431	2.6
197.13229	9.3
199.11174	2.3
199.14783	2.5
201.12665	2.7
201.16420	1.4
203.14288	15.6
204.14691	2.7
206.10815	1.4
207.11708	3.4
207.13782	9.3
208.12375	2.4
208.14375	1.8
209.13225	7.3
209.15062	1.7
211.11247	1.2
211.14816	4.8
213.12694	1.7
213.16360	1.6
214.13194	1.1
215.14351	2.9
219.11650	1.7
219.13623	2.0
221.15321	100.0
222.13838	1.1
222.15714	12.0
223.11194	1.2
223.14795	3.7
224.15256	1.1
225.16377	1.6
226.13385	1.3
227.14307	1.7
229.15910	1.1
229.88011	1.2
231.13744	1.3
233.13182	1.7
233.15341	2.4
234.13910	1.2
234.16080	3.6
235.14726	2.1
235.16763	1.9
237.16318	2.7
239.14365	1.3
239.18112	1.4
247.14722	1.2
247.17000	6.1
248.17336	2.2
249.16171	1.5
251.17889	1.2
255.17398	1.4
259.14618	1.3
262.16803	1.1
265.19565	1.7
269.18903	1.1
271.16800	1.4
274.19150	2.7
277.19409	1.1
281.19080	1.6
283.20450	1.7
285.18600	1.4
286.19171	3.2
287.20129	8.3
289.19464	1.1
297.22308	1.3
299.20059	4.1
300.20575	6.0
301.21570	4.7
307.20667	1.2
311.19901	2.7
312.20764	2.2
313.21616	2.2
314.22125	1.4
325.21478	2.5
326.21893	1.1
340.23840	3.0
341.24362	3.3
352.23758	4.7
353.24396	4.3
365.24573	1.1
366.25180	2.1
367.26205	4.9
375.26724	2.8
378.25482	1.2
379.25861	1.3
392.26797	1.1
393.27863	2.9
420.29718	3.0
426.27139	1.5
427.28180	1.8
428.28644	2.7
440.28922	4.9
441.29581	7.0
491.34930	8.7
503.35025	1.3
509.36029	4.8
520.35565	1.3
521.35809	7.9
522.37122	1.4
565.40118	1.1
583.41443	11.0
601.32269	1.7
601.42224	34.8
602.42950	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	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.0
55.01868	4.9
55.05502	24.6
57.03431	20.8
57.07067	40.8
63.47678	2.8
65.03939	4.9
67.05495	40.8
69.03415	6.8
69.07051	15.6
71.04991	3.5
71.08624	24.9
79.05481	25.0
81.07045	44.3
83.04977	28.9
83.08591	14.4
85.06545	7.6
85.10163	14.3
91.05466	38.8
93.07035	39.3
95.04964	12.9
95.08594	45.0
97.06526	5.3
97.10163	5.8
98.21394	6.0
99.04482	3.6
105.07014	42.9
107.04935	31.3
107.08561	27.0
109.06500	18.4
109.10145	20.0
111.04452	13.1
115.05463	4.7
117.06995	13.3
117.75393	2.5
119.08558	36.4
121.06525	11.4
121.10145	19.6
123.08024	13.7
123.11722	7.5
125.06013	4.9
128.06215	6.3
129.07001	11.3
130.07776	5.5
131.08566	25.7
133.06516	9.3
133.10117	28.9
135.08049	16.8
135.11722	11.8
137.09618	5.9
141.07021	3.8
142.07811	4.8
143.08517	16.5
145.06520	5.6
145.10124	28.2
146.10492	3.3
147.08020	22.5
147.11711	9.9
149.09612	5.3
151.07570	11.1
154.07770	3.2
155.08589	10.7
156.09335	5.6
156.11093	3.2
157.10109	18.6
159.08070	11.5
159.11630	18.7
160.08644	2.6
161.09627	11.7
161.13274	8.0
162.10056	2.7
163.07614	4.2
163.11221	9.3
163.79489	2.5
165.09096	26.0
168.09277	3.5
169.10164	11.6
171.11667	16.6
173.09645	7.6
173.13248	6.1
175.11237	6.1
175.14877	3.4
177.12852	8.3
179.14320	3.3
181.10143	3.5
181.12285	9.6
183.11731	7.7
185.13304	7.2
187.11174	5.2
187.14868	8.7
189.12775	6.9
194.10991	3.3
195.11707	4.8
197.13298	7.6
199.11301	7.4
199.14957	3.6
201.16348	3.6
203.14345	13.1
205.15915	9.9
207.13850	5.8
209.13281	4.0
211.14861	4.0
215.14421	9.8
221.15340	85.6
221.17439	4.9
222.15755	12.6
225.16597	3.2
233.15331	24.6
234.16086	4.5
235.14879	3.1
239.23750	4.4
243.17467	13.5
253.15741	3.4
261.18546	18.5
271.16968	17.3
274.19464	3.0
287.20120	7.1
289.17914	69.2
299.20081	3.6
300.20551	3.7
352.24136	4.0
353.24365	4.6
366.25385	3.3
367.26328	6.5
420.30014	3.4
426.20010	3.2
431.51425	2.8
440.29279	5.3
441.29791	10.7
491.35583	3.8
509.36209	4.7
514.25067	14.2
521.36060	11.5
541.23572	15.4
583.41644	11.8
597.91986	3.0
601.25647	31.4
601.44226	100.0
602.44934	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	6.2
55.05502	22.7
57.07052	9.4
59.04991	2.8
64.99323	2.7
65.03939	3.8
67.05492	31.1
68.73271	2.2
69.03417	13.9
69.07056	23.8
69.72264	12.4
69.72677	4.9
71.04987	2.3
75.79912	2.8
79.05479	38.3
81.07035	42.3
83.04963	21.3
83.08611	17.4
85.02825	2.3
85.06509	7.4
87.04442	4.8
91.04918	4.7
91.05461	59.9
93.07025	82.5
95.04949	20.6
95.08588	44.1
97.06514	9.5
103.05452	3.4
105.07011	100.0
105.07725	5.7
107.04971	4.3
107.08575	80.9
109.06487	16.0
109.10130	36.9
111.08036	5.0
111.11682	4.7
111.95716	2.3
113.09613	4.0
115.05430	8.3
117.06986	24.2
119.08557	94.3
119.98287	2.2
121.06470	10.5
121.10120	94.3
122.10450	2.8
123.08044	14.0
123.11674	10.5
125.05940	2.9
125.09586	18.0
128.06169	14.3
129.06989	21.5
130.07739	9.3
131.08553	41.5
133.06447	5.5
133.10107	75.2
134.10483	3.0
135.08032	18.4
135.11674	28.0
137.09566	9.6
139.11169	8.8
141.06958	9.6
142.07755	22.1
143.08545	40.2
144.09282	10.1
145.10101	79.5
147.08044	12.0
147.11661	25.6
149.09563	21.3
149.13257	7.1
151.07527	3.6
151.11090	3.1
154.07797	3.8
155.08513	18.2
155.10574	5.7
156.09361	15.3
157.10112	59.4
158.10898	6.3
159.08011	17.2
159.11661	42.2
160.54028	2.6
161.09555	19.0
161.13290	11.8
163.09966	2.3
163.11150	13.0
163.14790	2.7
165.06970	6.0
165.09109	10.7
166.07678	5.9
167.08516	10.3
167.10652	73.2
167.14320	2.9
168.09291	7.4
169.10107	36.9
170.10800	7.7
171.08215	3.2
171.11661	43.4
172.08652	2.4
172.12259	5.2
173.09596	8.7
173.13235	30.0
175.11136	8.6
175.14780	17.9
177.12697	5.4
179.08534	10.0
180.09303	5.1
181.10091	16.2
181.12180	6.7
182.10844	10.8
183.11665	36.9
184.12308	3.7
185.09631	5.6
185.13223	18.7
187.11162	7.8
187.14751	12.9
189.12750	9.6
191.14284	5.9
191.87355	2.6
192.09219	3.8
193.10147	16.1
193.11787	3.1
194.10910	7.0
195.11633	26.2
196.12494	6.2
197.13243	28.1
199.11018	5.0
199.14810	16.2
201.12627	6.9
201.16310	7.9
203.14279	9.8
205.10089	5.6
205.15646	2.7
206.10736	5.4
207.11661	13.0
208.12373	8.8
209.13274	32.3
209.15251	6.3
210.10420	4.8
210.13969	5.5
211.14740	18.2
212.15347	2.6
213.12897	4.8
213.16412	5.2
215.14305	7.8
217.10045	3.4
217.15820	4.3
218.10915	3.3
219.11693	7.5
219.17401	3.4
220.12350	6.3
221.13179	12.8
221.15356	21.9
222.13878	4.6
223.11261	2.7
223.14819	15.3
224.15009	2.8
225.12888	3.2
225.16304	12.3
227.14159	6.6
231.11595	5.1
232.12453	3.3
233.13168	8.2
233.15291	35.1
234.13885	3.0
234.15985	3.5
235.14685	13.6
236.15556	3.9
237.12650	5.2
237.16373	8.9
239.17928	4.4
243.17484	3.3
245.13205	5.8
246.13852	4.1
247.14708	6.5
248.15300	3.5
249.16312	5.5
251.14217	3.0
251.17917	7.6
253.19588	2.9
255.17448	5.7
256.17841	3.1
257.18887	4.8
259.14868	6.2
260.15295	3.0
261.16309	6.6
263.17929	7.5
265.19409	7.2
267.17334	5.6
269.18903	7.4
271.14758	3.3
271.20343	3.8
273.16147	4.6
275.17902	4.9
277.19467	6.4
279.17334	3.8
279.20840	3.1
281.18958	6.0
283.20490	7.1
287.20258	3.7
291.20883	4.5
295.20670	5.5
299.20059	4.0
311.20251	3.0
315.20746	3.0
349.25162	5.1
361.25119	4.4
401.28659	2.9
491.34976	2.8
565.40198	5.2
583.41205	9.4
601.42053	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	601.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.6
55.05494	23.3
57.03437	2.7
57.07063	14.8
59.05015	3.4
65.03920	3.2
67.05492	36.0
69.03416	15.1
69.07059	25.8
71.05014	3.5
71.71369	4.1
71.71741	2.6
79.05480	36.5
81.03410	4.4
81.07044	49.0
81.07485	4.5
83.04966	22.0
83.08611	16.9
85.06520	6.8
85.29815	2.9
87.04465	4.1
89.06025	2.9
91.05466	63.2
91.06037	3.6
93.07030	83.8
94.07397	4.0
95.04949	30.4
95.08599	45.5
97.02859	3.6
97.06506	14.4
97.10174	4.7
103.05454	6.1
105.07011	100.0
106.07341	5.3
107.04928	5.4
107.08575	73.4
108.08904	5.0
109.06512	19.6
109.10145	28.1
111.08076	5.8
113.09713	4.4
115.05457	7.8
117.06977	22.7
119.08564	99.3
120.08906	3.0
121.06476	14.3
121.09258	5.6
121.10126	84.3
122.10517	3.1
123.08064	20.5
123.11686	9.1
125.05970	8.1
125.09630	10.9
125.11968	2.7
128.06218	10.1
129.07005	24.3
130.07771	10.6
131.08559	47.2
132.08975	3.8
133.06500	5.7
133.10112	55.9
134.10435	3.5
135.08026	21.3
135.11673	18.7
137.09593	18.0
139.11154	4.8
141.06978	8.1
142.07779	26.9
143.08542	44.6
144.09288	11.5
144.16875	2.7
145.06435	4.0
145.10091	77.5
146.10529	4.2
147.08037	22.9
147.11670	24.8
148.08356	3.6
149.09604	20.9
151.07529	19.5
151.11111	6.0
153.06960	3.2
154.07750	4.8
155.08484	21.9
155.10640	4.0
156.09331	16.5
157.10112	64.7
158.10733	9.4
159.08023	18.8
159.11687	43.5
160.12109	4.7
161.09569	17.5
161.13170	13.2
163.11191	16.0
165.07024	5.8
165.09082	45.8
166.09431	3.8
167.08514	10.8
167.10654	44.2
168.09334	10.2
169.10095	28.1
170.10841	10.2
171.08031	2.8
171.11673	36.0
172.12079	6.8
173.09598	11.7
173.13231	22.4
175.11194	11.9
175.14784	9.8
176.56720	3.8
179.08528	12.8
181.10123	20.3
181.12122	13.4
182.10823	10.2
183.11659	28.9
184.12273	4.9
185.09645	3.8
185.13193	28.5
186.13846	3.0
187.11098	5.8
187.14839	8.3
189.12740	13.6
190.13498	2.9
191.14278	6.9
192.09314	6.6
193.10118	11.6
193.11963	2.5
194.10818	10.3
195.11688	26.9
196.12332	7.4
197.09694	4.4
197.13307	19.7
199.11252	6.4
199.14729	13.6
201.12721	6.1
201.16354	3.9
203.14323	20.1
205.10278	5.1
206.10878	7.4
207.11673	13.6
207.13809	12.7
208.12463	9.0
209.13229	26.1
209.15329	9.4
210.13893	6.3
211.11079	4.6
211.14839	14.9
213.12790	5.4
213.16396	6.7
215.14304	6.6
217.10127	3.4
217.15944	4.7
219.11656	6.6
220.12392	5.9
221.13165	12.1
221.15294	81.3
221.17491	4.2
222.13925	6.0
222.15756	9.1
223.11218	3.2
223.14699	17.3
224.15364	4.0
225.12740	4.2
225.16428	10.4
226.13124	3.5
227.14508	3.8
230.10832	3.4
232.12138	2.9
233.13264	6.5
233.15355	22.4
234.13852	6.0
234.16043	5.2
235.14771	10.4
236.15436	6.0
237.16495	6.5
239.14203	3.6
239.17958	6.3
241.15733	4.1
244.12302	2.9
245.13203	6.3
246.13817	3.5
247.14790	4.1
247.17014	4.0
249.16447	6.2
251.17889	5.5
255.17464	9.8
257.19037	4.1
258.13940	3.1
259.14810	3.9
259.17334	3.8
261.16257	5.1
263.17917	3.5
265.19485	8.0
267.69452	3.4
269.18964	5.8
271.13095	3.1
273.18646	3.8
275.17792	6.3
277.19324	3.0
280.17422	3.4
281.18985	5.6
282.19623	4.1
283.20514	6.4
285.18729	5.3
286.19208	3.7
287.19922	9.6
289.19513	4.1
295.20343	4.3
297.18445	3.7
297.22031	3.6
299.20166	5.0
300.20770	7.7
301.21692	5.4
303.19312	6.4
304.19946	4.1
306.48203	2.8
313.21729	3.1
314.22253	4.0
331.24112	3.7
349.25372	6.0
352.23849	17.0
353.24173	19.5
361.25311	4.5
366.25186	4.9
367.26254	5.1
379.26172	4.3
393.27606	3.5
465.03516	3.2
503.35016	3.9
521.35724	11.2
565.39972	6.4
583.41589	15.1
601.42249	46.2
602.42560	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	601.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41360	2.1
53.03941	6.3
55.01862	2.1
55.05506	21.9
57.07073	16.4
59.04980	4.3
65.03911	5.1
66.01163	2.0
67.05492	40.7
69.03416	16.7
69.07063	23.5
69.60428	19.7
71.08620	2.2
71.21088	1.9
75.24249	1.8
79.05479	37.8
81.03415	6.7
81.07045	47.4
83.04961	16.2
83.08614	13.9
85.06528	8.0
87.04446	4.0
89.06029	6.0
91.05462	61.5
93.07031	75.4
94.07359	2.9
95.04949	26.1
95.08594	44.9
96.08901	2.1
97.06501	16.7
103.05444	4.4
104.06290	2.9
105.07011	92.6
106.07293	3.2
107.04897	4.3
107.08577	68.8
109.06504	16.9
109.10136	30.1
111.08090	5.0
111.11735	2.3
113.09615	5.9
115.05444	8.3
116.06221	3.9
117.06996	25.4
119.08562	100.0
121.06486	11.0
121.10127	76.0
123.08065	17.3
123.11674	9.5
125.06025	2.7
125.09619	10.8
128.06235	11.2
129.06979	20.4
130.07745	9.0
131.04970	2.6
131.08551	39.6
133.06479	4.9
133.08614	3.3
133.10107	64.9
135.08028	15.2
135.11697	24.1
137.09627	14.2
139.11194	6.2
141.06966	8.3
142.07761	21.8
143.08548	38.8
144.09370	10.7
145.06439	2.6
145.10103	73.4
147.08049	19.9
147.11649	22.9
149.09581	18.8
149.13300	4.8
151.07516	10.8
151.11182	3.8
153.06911	3.8
154.07756	2.9
155.08514	18.0
155.10626	4.0
156.09326	18.3
157.10107	58.7
158.10788	8.2
159.08060	13.3
159.11696	38.3
160.12077	3.0
161.09598	16.7
161.13237	11.0
163.11169	8.4
165.07016	4.8
165.09082	24.8
166.07748	2.7
167.08530	9.5
167.10654	48.9
168.09363	7.6
169.10094	27.4
170.10851	8.5
171.07999	4.6
171.11673	35.9
172.08772	2.4
173.09610	7.8
173.13210	23.4
175.11185	8.2
175.14828	15.2
177.12769	4.3
179.08539	12.4
179.14281	3.9
180.09297	4.6
181.10062	13.2
181.12280	6.0
182.10829	11.4
183.11653	27.6
184.12344	5.3
185.09587	6.2
185.13226	20.0
187.11180	5.8
187.14816	9.1
189.12729	10.8
189.16396	2.3
191.14265	3.6
192.09334	5.2
193.10130	10.2
194.10892	8.6
195.11739	21.9
195.13443	3.6
196.12428	8.8
197.13280	23.6
198.13713	3.9
199.11131	4.1
199.14719	14.3
201.12724	4.5
201.16295	5.3
203.14320	12.1
205.10133	3.6
206.10738	4.0
207.11699	14.5
207.13800	6.5
208.12479	6.4
209.13258	21.6
209.15094	3.2
210.14029	6.4
211.11211	3.3
211.14799	16.4
212.15263	3.0
213.12769	5.1
213.16342	4.9
215.14383	5.7
215.72990	2.1
217.10129	3.5
217.15820	3.2
219.11729	4.3
220.12344	5.6
221.13216	12.2
221.15372	48.8
222.15712	2.5
223.11375	2.4
223.14763	13.5
225.12698	4.4
225.16403	6.8
227.14285	5.9
227.17825	2.3
229.15717	2.8
231.11708	3.4
232.12419	3.0
233.13213	6.0
233.15379	28.4
234.15968	3.2
235.14824	8.8
236.15468	2.8
237.16399	8.6
239.18080	3.7
244.12437	2.3
245.13301	4.1
246.13918	4.3
247.14737	6.0
247.16994	3.2
249.16333	7.4
251.17958	6.3
253.15816	2.8
253.19283	2.6
255.17450	6.4
257.13306	3.1
259.14755	5.6
261.16354	5.5
263.17960	6.5
265.19528	3.6
269.18997	9.0
273.16183	4.5
273.18738	3.3
277.19373	3.1
281.19043	3.3
283.20633	5.7
285.18564	5.1
287.20285	3.7
295.20541	4.6
299.20169	5.0
301.21823	2.7
311.20245	2.9
319.20438	2.4
349.25140	4.8
367.26416	3.2
390.25046	2.5
491.34988	5.1
565.40320	4.7
583.40979	12.0
601.42664	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	601.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.7
55.01849	2.6
55.05499	25.8
57.03423	2.6
57.06841	2.4
57.07063	31.4
59.04970	5.1
65.03915	5.9
67.05493	37.7
67.53922	2.5
69.03403	12.6
69.07059	27.4
69.42008	22.3
69.42415	6.5
71.04997	3.7
71.08608	13.5
71.91939	2.3
78.40921	2.4
79.05476	34.6
80.11366	2.4
80.22953	2.3
81.03403	54.1
81.06606	4.4
81.07043	53.3
83.04965	19.3
83.08606	19.9
85.06543	5.4
85.10171	4.6
87.04441	3.9
89.05984	2.5
91.05455	63.5
93.07021	74.3
95.04948	27.9
95.08586	51.3
97.06513	11.3
97.10165	4.9
103.05428	4.8
105.07011	100.0
107.04935	7.4
107.08575	70.5
109.06500	16.7
109.10124	34.6
111.08074	6.4
113.09632	3.6
114.11163	2.9
115.05415	11.3
116.06236	2.9
117.06987	27.6
119.04962	2.7
119.08556	87.1
121.05675	2.9
121.06476	13.0
121.10117	76.9
123.08057	21.9
123.11689	9.1
125.05963	4.3
125.09610	11.4
128.06192	12.3
129.06950	21.3
130.07738	9.8
130.88185	2.8
131.04941	4.7
131.08540	41.0
133.06470	8.8
133.10101	56.1
135.08028	19.3
135.11678	23.0
137.09584	11.4
139.11185	7.3
141.06999	8.0
142.07768	19.4
143.08536	36.8
144.09314	12.8
145.06464	5.4
145.10107	66.6
146.07327	2.9
147.04427	4.4
147.08002	23.8
147.11649	22.8
149.09592	14.0
149.13223	5.7
151.07500	10.9
153.06914	2.9
154.07750	5.4
155.07370	3.5
155.08456	18.3
155.10542	2.9
156.09291	15.2
157.10098	49.6
158.10805	9.2
159.04362	5.4
159.08064	13.3
159.11676	37.3
160.05199	12.7
161.05948	24.9
161.09637	18.5
161.13255	11.5
163.11133	13.8
165.06970	6.0
165.09077	29.1
167.08586	6.0
167.10645	63.0
168.09392	5.7
169.10075	31.3
170.10832	8.2
171.07938	2.9
171.11656	27.5
172.12329	4.1
173.05901	20.2
173.09583	8.8
173.13216	24.7
175.11186	11.0
175.14825	16.4
177.12761	3.9
179.08510	6.3
180.09335	7.6
181.10068	12.8
181.12221	8.4
182.10835	7.6
183.11682	24.0
185.09657	5.1
185.13148	17.1
187.07500	8.0
187.11092	6.1
187.14830	10.1
189.09062	6.0
189.12686	8.1
191.08560	3.2
191.14342	6.4
192.09363	2.8
193.10133	9.7
194.10826	7.2
195.11716	19.6
196.12392	7.7
197.13225	22.7
198.13805	2.9
199.11078	3.8
199.14816	14.3
201.12640	4.5
201.16357	3.3
203.10652	5.1
203.14249	13.3
206.10913	6.1
207.11665	10.6
207.13719	3.4
208.12418	6.1
209.13225	20.1
209.15094	4.8
210.13931	4.5
211.11084	3.6
211.14816	14.2
213.12668	4.8
213.16400	8.1
215.14384	7.7
219.11752	3.5
220.12384	4.4
221.13258	9.0
221.15292	67.6
222.13896	3.1
223.14714	13.9
225.12750	5.4
225.16405	9.0
227.14304	3.1
233.13156	5.9
233.15382	22.9
235.14796	7.3
237.16376	7.4
239.14569	4.5
239.17908	4.3
243.13808	8.2
243.17612	3.1
245.13194	6.1
246.13934	4.1
247.14763	8.0
249.16345	5.6
251.17943	5.3
255.17525	4.5
257.18970	4.6
259.14761	5.3
260.59656	2.9
261.16309	6.6
263.17896	5.2
265.19461	5.3
267.17337	3.1
269.19037	9.7
271.13187	32.9
275.17862	5.4
277.19562	5.9
281.19061	6.4
283.20602	5.1
287.20236	5.3
289.14154	12.5
289.19330	3.4
291.21173	3.4
295.20688	3.6
299.20142	3.5
313.27304	21.0
325.21713	3.4
345.16940	11.8
353.24350	2.9
353.33163	2.6
367.25888	4.2
491.34811	4.6
509.35101	3.0
547.45959	3.5
583.41425	14.5
601.22858	3.8
601.41321	93.4
602.41394	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	603.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
54.11585	0.3
55.01861	0.4
55.05490	1.1
57.03440	0.5
63.93121	0.3
65.03912	0.7
67.01851	0.5
67.05507	2.1
69.03423	3.9
69.07049	0.8
69.72728	0.6
69.73141	1.7
71.04970	0.8
71.23269	0.2
73.02866	0.3
79.05480	1.7
81.03408	4.5
81.07037	2.4
83.04965	0.8
83.08586	0.4
85.02892	3.0
85.06535	0.3
87.00817	0.5
89.44746	0.3
91.05470	9.3
93.07020	1.7
95.04960	2.0
95.08596	1.7
97.02886	3.8
97.06539	0.8
98.97503	0.2
99.04435	1.1
105.07008	2.3
107.04949	0.9
107.08594	1.8
109.02859	5.2
109.06490	1.4
109.10146	1.3
111.04433	0.6
111.08047	0.4
115.05477	0.6
117.07001	0.6
119.04929	20.7
119.08559	1.8
120.05449	0.3
121.06474	0.6
121.10131	3.2
122.07255	0.6
123.04469	0.3
123.08054	1.2
123.11676	0.9
125.09628	0.4
127.03894	4.3
129.06975	0.5
131.04944	0.4
131.08562	1.2
133.06473	0.4
133.10103	1.4
135.08025	0.9
135.11731	0.6
137.02301	0.6
137.05954	0.5
137.09593	4.0
143.08524	0.6
145.06474	0.6
145.10068	0.9
147.04387	100.0
147.11670	1.2
148.04761	0.8
149.06017	0.3
149.09558	1.4
149.13289	1.3
151.07527	0.4
151.11163	5.1
157.10124	0.7
159.08060	0.6
159.11646	0.6
161.09569	0.3
161.13243	0.3
163.03911	0.5
165.05473	4.5
165.12741	6.2
171.11577	0.3
173.05956	0.4
173.13249	0.9
175.11235	0.3
177.05476	0.3
181.10135	0.4
183.11606	0.4
185.13225	0.3
187.07527	0.5
191.14296	1.2
193.12296	0.5
193.15852	1.0
199.14871	0.3
207.13768	0.3
209.15340	13.3
213.03920	0.4
215.18428	0.3
273.14832	0.3
291.08524	1.4
301.14459	0.6
377.08539	0.5
395.09677	15.7
411.09274	0.4
423.32642	0.4
535.22705	0.3
553.94653	0.3
585.30127	0.7
603.30951	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3158
Annotation	trapoxin A
Peak:m/z	Relative Intensity
53.03927	11.7
55.01852	17.6
55.05504	41.6
57.03440	15.5
67.05136	3.4
67.05497	52.7
67.52294	2.3
69.03407	15.9
69.07052	19.4
69.36267	4.6
69.36665	26.8
70.06531	3.5
71.04971	9.4
79.05483	56.6
81.03405	71.7
81.06595	4.7
81.07043	53.7
83.04951	20.5
83.08602	23.9
85.02898	38.0
85.06522	4.8
91.05460	65.9
93.07031	38.8
95.01283	3.5
95.04958	80.8
95.08581	25.6
97.02897	13.0
97.06499	11.0
97.10147	23.4
99.04444	3.9
103.05444	7.0
105.03388	3.2
105.07005	40.6
107.04947	25.6
107.08574	30.4
109.02850	22.0
109.06507	10.9
109.10155	12.6
111.04415	16.1
111.08074	10.8
113.06006	3.5
115.05437	8.4
117.07006	26.7
119.04912	22.5
119.08568	27.3
121.02866	12.1
121.06475	22.1
121.10132	17.6
123.04375	13.3
123.08044	11.2
123.11697	6.0
125.02324	3.0
125.05956	3.8
125.09613	15.2
127.03890	7.2
128.06204	8.0
129.06972	26.7
131.04924	17.7
131.08554	24.3
132.05757	2.6
133.06441	19.3
133.10141	18.7
135.04404	6.7
135.08049	13.1
135.11665	12.4
137.02374	4.2
137.05978	8.2
137.09636	7.7
141.06982	9.9
142.07695	4.4
143.08554	12.8
145.06470	22.6
145.10121	17.4
147.04384	82.0
147.08017	13.9
147.11674	13.7
149.05986	10.0
149.09602	16.0
149.13235	4.5
151.03862	2.7
151.11275	3.4
153.05559	3.6
153.09068	2.6
153.12703	2.9
155.08533	9.3
156.36395	2.7
157.06462	12.2
157.10114	12.9
159.04362	3.2
159.08084	12.6
159.11713	5.4
160.05144	8.8
161.05960	24.3
161.09599	9.1
163.03912	7.1
163.07491	2.9
163.11102	15.0
165.05504	5.6
165.06992	5.6
165.09177	4.6
165.12770	5.2
167.07185	3.1
167.08499	4.1
169.06512	4.5
169.10133	4.5
171.08011	11.3
171.11679	6.5
173.05959	37.4
173.09608	9.2
173.13193	3.5
174.06715	8.0
175.03876	6.4
175.07524	9.0
175.11169	14.5
177.05403	3.3
179.08656	3.1
181.06573	4.3
181.10190	5.9
181.12164	3.4
183.08060	6.6
183.11713	4.9
185.05930	8.5
185.09570	5.6
185.13206	5.8
187.07497	19.7
187.11147	4.3
187.14943	2.6
189.05432	26.9
189.09106	8.1
189.11165	6.8
189.16292	2.7
191.07042	3.2
191.08765	2.3
193.12193	30.8
195.08041	3.6
197.05986	4.0
197.13187	3.0
199.07487	5.0
199.11249	2.8
201.09042	4.7
201.12785	3.2
203.06876	2.8
203.10591	5.5
205.12238	4.4
209.13370	3.1
209.15269	6.7
211.07607	5.4
211.11337	4.7
211.13287	27.9
211.14909	3.5
213.09088	3.1
213.12680	3.8
223.13100	2.9
227.10796	3.4
227.12799	9.6
239.10683	3.9
243.13765	3.7
249.14952	3.5
255.13795	11.5
257.15314	7.5
267.15912	5.9
271.13275	5.6
271.17224	2.4
273.14804	36.2
283.13239	18.8
285.14783	13.7
285.17078	10.3
289.14301	5.0
297.14847	4.0
299.16449	3.8
301.14264	91.8
303.15930	5.9
315.15933	5.0
319.15201	13.1
323.16397	6.2
341.17480	14.1
343.15515	11.3
357.17108	5.4
359.18539	3.3
361.16678	3.2
375.17975	20.2
393.19156	7.3
395.09662	13.3
409.88660	2.7
411.96759	2.8
423.32794	2.9
447.25403	3.7
465.26416	5.4
475.24323	5.0
483.27551	4.6
493.25940	8.4
511.26657	12.5
529.27808	3.0
539.30310	3.5
543.29358	8.9
555.29498	4.1
567.29565	19.2
573.30206	16.5
585.30487	100.0
603.31512	98.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.7
54.68306	2.6
55.01862	13.9
55.05501	35.4
57.03426	13.6
67.05493	44.3
68.99780	2.3
69.03424	14.0
69.06719	2.1
69.07058	13.1
70.06388	5.8
70.06805	5.6
71.04978	7.7
79.05484	59.7
81.02937	4.1
81.03407	73.5
81.07041	52.9
83.04964	16.1
83.08613	26.5
85.02893	39.0
85.06545	4.2
91.05464	65.1
93.03397	2.7
93.07027	38.9
95.01320	3.8
95.04952	57.7
95.08598	21.2
97.02879	9.4
97.06530	7.0
97.10147	11.5
98.20768	2.7
99.04456	3.5
99.08076	3.6
103.05477	10.2
105.07018	50.3
107.04935	21.4
107.08579	22.4
109.02858	22.2
109.06490	8.9
109.10131	7.5
111.04420	15.2
111.08081	11.5
115.05439	13.0
116.06201	3.9
116.10695	4.7
117.07000	18.4
119.04916	7.6
119.08556	36.4
121.02832	8.1
121.06496	13.7
121.10133	16.5
123.04394	11.2
123.08051	6.1
123.11694	4.8
125.05960	2.7
125.09647	13.2
127.03914	5.2
128.06216	8.1
129.06993	24.0
131.04910	17.4
131.08521	19.8
133.06485	18.9
133.10104	16.0
135.04454	4.8
135.08051	8.1
135.11652	9.0
137.02338	6.4
137.05995	6.0
137.09602	2.6
141.06993	8.7
142.07750	5.2
143.08566	9.0
145.02902	2.6
145.06480	24.4
145.10077	16.2
147.04411	17.3
147.08067	13.7
147.11667	16.4
149.05994	10.2
149.09628	9.8
151.03816	3.0
151.07526	3.9
151.11172	3.6
153.07004	3.5
153.12669	3.0
155.08562	8.4
157.06458	8.2
157.10077	16.3
159.04387	4.2
159.06914	2.2
159.08006	11.9
159.11681	4.0
160.05234	7.9
161.05969	27.5
161.09566	6.3
163.03860	2.6
163.07518	4.0
163.11154	13.6
165.06981	3.6
165.12663	3.5
167.08553	5.0
169.06474	5.7
169.10127	3.5
171.08057	8.2
171.11714	3.9
173.05971	34.0
173.09601	6.3
174.06750	6.5
175.04002	3.3
175.07556	6.8
175.11134	11.8
177.05434	5.1
177.12756	3.2
179.08583	4.1
181.06430	3.7
181.10066	4.4
181.12282	5.6
183.08054	5.3
183.11690	3.5
185.05951	6.6
185.09613	5.8
185.13269	3.1
186.06743	3.3
187.07539	9.7
187.11075	3.4
189.05472	30.8
189.09209	2.3
189.11191	6.7
189.12715	2.5
190.06146	2.8
191.10678	6.2
193.12210	32.2
195.07974	3.1
197.05968	3.8
197.09621	4.8
197.13246	3.7
199.07565	5.7
199.14996	2.8
200.08362	2.8
201.09122	2.7
201.12836	2.6
203.07109	4.9
203.14507	2.6
205.12248	2.8
209.11661	2.7
211.13243	40.0
211.15164	3.2
213.09045	3.2
213.12666	5.2
219.13863	2.5
221.09605	2.6
225.12759	2.4
227.12769	7.5
237.12648	5.0
241.12225	3.2
255.13754	11.9
257.15405	5.9
259.13269	3.1
265.12198	3.0
267.15930	10.1
271.13229	4.1
273.14807	25.7
283.13162	17.1
285.14709	9.5
285.17447	15.6
289.14346	8.7
301.10773	4.8
301.14261	100.0
303.15912	5.1
319.15341	20.5
326.22900	2.3
327.23352	2.8
338.58948	2.3
339.16290	2.1
341.17676	3.9
347.18536	2.7
357.16974	5.9
375.17947	24.6
393.18860	11.5
449.31262	2.8
451.25067	2.3
459.27475	3.2
465.26013	2.6
475.24960	3.1
477.28000	3.2
493.25552	4.6
511.26703	3.2
529.27899	3.1
539.29999	2.5
548.65045	2.6
549.28540	3.0
557.30762	3.4
567.29456	16.2
573.30646	19.5
585.30554	81.7
586.30341	3.2
603.31494	92.3
604.31744	5.4
633.99811	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	603.3156
Annotation	trapoxin A
Peak:m/z	Relative Intensity
50.29193	1.7
53.03937	8.5
55.01868	16.4
55.05505	35.0
55.40278	2.3
57.03429	14.8
61.53107	2.2
67.05492	37.3
68.99789	2.5
69.03419	7.8
69.07057	13.5
70.27341	8.9
71.04984	6.6
79.05483	43.1
81.03407	79.8
81.07042	46.7
83.04968	18.6
83.08605	23.5
85.02900	33.3
85.06547	2.3
91.05468	63.5
92.31209	2.2
93.07026	34.2
95.04949	62.3
95.08588	16.9
97.02875	7.3
97.06537	6.4
97.10156	13.9
99.04486	4.0
103.05464	10.0
105.07015	40.1
107.04938	23.0
107.08588	19.0
109.02858	20.9
109.06516	11.9
109.10152	12.5
111.04441	14.4
111.08045	10.1
113.05993	3.9
115.05449	16.1
116.06215	2.0
117.07003	17.7
119.04932	13.7
119.08559	24.4
121.02833	10.1
121.06478	18.9
121.10146	14.3
123.04408	9.4
123.08061	5.3
123.11703	3.4
125.02374	2.3
125.09613	11.6
127.03910	4.0
128.06212	5.3
129.06990	18.7
131.04919	19.4
131.08542	19.7
133.06479	16.5
133.10095	11.4
135.04387	5.0
135.08058	5.5
135.11688	5.2
137.02344	6.3
137.05983	3.7
137.09641	3.1
139.03885	2.4
141.06999	10.2
143.04755	2.2
143.08521	10.3
145.06479	22.3
145.10123	11.1
146.07283	2.4
147.04395	40.7
147.08023	11.5
147.11673	13.1
149.05972	8.6
149.09599	9.6
151.03900	3.1
151.07610	3.6
153.09122	2.4
153.12733	3.4
155.08568	7.0
157.06490	7.7
157.10120	15.5
159.08067	8.5
159.11722	3.0
160.05214	5.3
161.05951	26.1
161.09624	7.7
163.03841	3.7
163.07597	2.3
163.11191	16.4
165.05508	4.4
165.12747	7.6
167.08566	6.1
169.06505	4.4
169.10204	5.6
171.04459	2.4
171.08067	6.3
171.11646	2.9
173.05954	32.4
173.09641	7.1
174.06726	7.6
175.03871	4.0
175.07544	7.0
175.11107	13.1
177.12764	3.0
181.06441	2.4
181.10081	3.4
181.12259	6.4
183.08057	3.1
185.05974	6.2
185.09589	5.4
185.13182	4.2
186.06752	3.4
187.07515	14.8
189.05460	31.0
189.09198	3.6
189.11224	5.2
191.10719	6.4
193.12210	37.2
195.08083	3.1
197.09599	2.6
197.13203	3.2
199.07542	4.6
200.08337	4.1
201.05531	2.1
201.09172	3.4
203.06978	2.9
203.10680	4.2
205.12155	2.7
209.09776	2.7
209.13481	2.4
209.15350	4.5
211.11267	4.3
211.13248	43.0
211.15154	3.2
213.09100	3.8
213.12691	2.9
221.09717	2.7
227.12825	7.0
227.14630	3.6
229.12379	2.7
237.12822	3.8
239.14024	2.3
241.12144	2.7
243.13930	2.4
245.15538	2.5
255.13774	14.7
257.15347	6.0
259.13464	2.7
265.12247	2.3
267.15903	10.2
271.13232	2.3
273.14810	30.3
283.13077	16.8
285.14755	10.8
285.17419	22.2
289.14371	8.8
291.16031	3.4
301.14270	100.0
303.16006	6.8
319.15378	16.8
323.16461	3.3
341.17590	5.1
343.15533	2.4
351.68829	1.9
357.17081	7.9
359.18414	2.9
375.18024	25.4
377.19501	2.1
393.18845	9.1
395.09930	3.0
400.45584	1.7
421.23804	2.1
428.07928	2.2
447.25616	2.5
459.27539	4.6
465.26773	2.9
475.24619	4.7
493.25873	6.0
511.27032	7.0
525.28448	2.2
529.27673	2.8
549.28467	3.1
557.30902	5.7
567.29657	12.5
573.30402	22.4
585.30536	87.0
586.31293	2.4
603.31586	93.4
604.32422	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	603.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48010	1.2
53.03934	7.5
55.01859	8.6
55.05499	25.4
57.03435	7.8
59.05011	2.0
61.72491	1.3
67.05495	32.2
68.99754	1.6
69.03419	9.3
69.07070	8.7
71.01342	1.9
71.04976	5.5
79.05479	33.1
81.03405	42.1
81.07046	35.0
81.42966	1.7
83.04971	12.4
83.08608	15.1
85.02896	22.6
85.06544	3.7
91.05463	45.4
93.03400	1.8
93.07030	24.2
93.07589	2.6
95.01318	2.5
95.04953	41.1
95.08601	18.8
97.02883	10.1
97.06503	5.5
97.10157	14.4
99.04405	2.4
99.08108	2.8
103.05441	5.7
105.07008	26.1
106.68700	1.5
107.04939	14.7
107.08577	15.6
109.02866	19.4
109.06512	7.5
109.10147	7.6
109.22560	1.4
111.04420	7.5
111.08079	6.2
115.05442	9.6
117.07007	13.5
119.04917	22.5
119.08559	18.1
121.02851	7.5
121.06477	8.4
121.10122	11.2
123.04411	6.4
123.08036	4.1
123.11716	2.4
125.09605	9.9
127.03859	8.5
128.06181	4.5
129.07007	11.4
131.04883	10.1
131.08554	12.7
133.06447	10.1
133.10117	10.4
135.04388	3.7
135.08078	5.9
135.11668	6.5
137.02296	3.2
137.05954	3.5
137.09534	2.3
141.06975	6.1
142.07819	2.2
143.08583	7.8
145.06444	17.5
145.10117	10.7
147.04387	100.0
147.08022	7.7
147.11676	9.5
148.04713	1.8
149.06018	4.7
149.09616	6.4
149.13225	2.1
151.03906	1.8
151.07527	2.4
151.11171	4.7
153.06995	3.0
153.12680	3.0
155.08533	3.3
157.06438	9.5
157.10074	8.5
159.04376	3.0
159.08070	8.5
159.11681	3.1
160.05183	2.3
161.05962	14.7
161.09642	4.4
161.13254	1.7
163.03868	3.4
163.11224	9.4
165.05482	6.9
165.06934	2.3
165.09047	2.1
167.08580	4.4
169.06502	3.6
169.10110	3.4
171.08047	6.4
171.11662	1.7
173.05965	22.4
173.09578	7.5
173.13275	2.7
174.06758	3.4
175.03847	2.0
175.07556	5.5
175.11171	6.1
177.05516	3.4
177.12782	1.7
179.06993	2.2
179.08467	3.1
179.10718	1.6
181.06549	1.8
181.10114	3.3
181.12315	3.3
183.08067	5.5
183.11719	3.2
185.05978	4.4
185.09604	5.6
186.06746	3.2
187.07570	12.6
187.11162	2.3
187.14941	1.8
189.05429	18.8
189.09076	2.6
189.11205	3.4
191.07025	2.1
191.10626	3.3
191.14328	5.7
193.12184	15.0
197.09579	3.0
199.07664	3.1
199.11276	2.5
201.05374	1.8
201.09070	3.7
201.12671	2.1
203.07021	1.9
203.10793	2.9
207.11761	2.1
209.09700	1.8
209.15353	1.5
211.07520	3.2
211.13252	15.8
213.12750	1.9
215.07031	3.2
217.12169	1.6
227.10791	2.0
227.12753	5.5
241.12141	1.8
243.13843	2.0
255.13728	7.3
257.15335	5.0
265.12076	2.3
267.15799	3.3
271.13345	1.8
273.14899	13.8
283.13150	10.4
285.17401	10.7
289.14377	5.8
295.16867	2.6
297.15002	2.1
299.16342	1.9
301.14279	55.4
303.15927	5.8
311.16586	2.2
313.14371	1.9
313.18344	1.8
315.16058	3.7
316.96643	1.6
319.15280	7.4
323.16443	4.5
339.15707	1.8
341.17395	10.5
343.15109	6.9
345.16956	2.1
357.16797	2.8
359.18481	2.7
361.16629	2.3
361.96521	1.6
375.17929	13.5
393.18915	4.5
395.09692	16.7
424.34528	1.7
447.25177	1.9
475.24619	3.6
493.25903	5.8
511.26959	10.8
529.27808	3.4
539.30164	2.7
543.21375	1.9
543.28900	8.3
549.28217	1.6
555.29352	2.1
567.29608	10.1
573.30493	9.3
585.30450	59.1
603.31494	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.7
53.84950	0.7
55.01862	8.0
57.03416	1.9
61.02897	1.9
65.03918	2.1
67.05496	2.1
68.99779	1.1
69.03422	11.2
70.06572	1.8
71.04957	1.8
71.70768	1.2
79.05472	3.4
79.68375	0.8
81.03416	8.1
81.07036	3.5
83.04910	1.0
85.02900	16.3
85.06546	1.2
86.09676	0.8
87.00805	5.6
89.03876	1.6
91.05474	6.2
93.07011	1.4
94.04164	3.5
95.04961	2.5
95.08559	1.1
97.02892	7.5
97.06492	2.4
99.04430	3.9
103.05460	6.9
105.01833	2.1
105.07000	4.5
107.04932	3.0
107.08548	1.4
109.02845	6.9
109.06448	1.9
111.04404	3.6
111.08039	0.8
115.03912	0.9
115.05435	4.7
117.03324	1.3
117.07006	2.1
118.52016	0.9
119.04918	3.1
119.08590	1.7
120.05688	1.3
121.06495	1.4
121.10133	1.8
122.03631	8.5
123.07990	0.9
125.05978	2.7
127.03898	8.7
128.06242	2.1
129.01862	1.0
129.07004	4.9
131.04912	11.0
131.08521	1.3
133.06458	3.5
133.10144	1.1
135.04404	2.1
135.08025	3.3
137.05962	100.0
138.06302	2.0
143.04900	1.6
144.05698	1.0
145.02811	1.9
145.04912	2.0
145.06470	1.9
147.04381	7.9
147.08020	1.4
148.05138	1.3
149.05923	1.5
151.03856	2.2
153.05464	5.0
155.04868	2.0
157.06503	4.8
159.02873	2.9
159.04192	1.2
161.05972	11.0
162.06749	1.0
163.03891	10.3
163.07530	16.2
165.05489	6.0
167.07042	1.3
171.04434	1.9
172.05193	0.9
173.05937	3.1
174.06738	1.1
175.07512	6.3
177.05418	3.6
179.07024	1.8
184.07327	2.2
185.05965	3.9
187.07486	3.2
189.05481	1.0
189.06989	2.0
189.09062	1.9
190.07664	1.7
191.07011	22.4
191.08566	3.2
199.07462	4.2
202.07811	2.1
203.06976	3.4
203.08487	1.8
205.06467	0.9
205.08481	2.4
207.08022	3.1
208.08769	1.4
215.06967	3.6
217.06502	2.1
217.08546	17.1
218.07265	4.7
219.08018	8.6
219.10081	1.6
220.08769	1.8
222.02660	0.8
222.06909	1.0
229.06508	2.7
231.05029	1.1
231.07988	3.2
233.09628	0.9
234.06715	3.6
235.07542	4.8
236.08286	3.5
237.09096	1.5
245.06032	1.5
246.06668	5.5
247.07547	11.6
248.08228	2.3
249.09077	4.6
250.81612	0.8
251.06931	1.1
257.05927	3.0
259.07504	5.5
261.09055	9.1
262.06296	1.6
262.09668	1.4
263.06979	4.8
263.10324	1.6
263.12900	2.1
264.07779	2.9
265.08548	2.6
267.09973	1.7
274.06274	4.4
275.06949	5.0
276.07681	3.2
277.08609	10.0
278.09338	3.1
279.07108	0.9
279.10110	5.5
281.13882	1.6
283.77747	0.9
289.08557	16.2
290.09286	3.2
291.06528	2.4
291.10098	10.9
292.07263	1.5
292.10941	1.0
294.08801	3.7
295.09677	1.8
297.11249	1.0
306.08743	3.4
307.09613	22.4
308.10471	2.4
309.07840	1.8
309.11105	8.5
321.11169	35.1
323.12683	17.2
325.09058	1.4
327.12241	21.3
339.12234	22.4
341.13766	6.4
357.08722	1.1
357.13297	17.9
388.07706	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.2
57.07059	2.6
57.19545	0.7
64.25623	0.6
67.05491	3.5
69.07047	2.3
71.08610	1.5
74.66843	0.6
79.05492	1.6
81.07049	3.7
83.08591	1.8
84.73322	0.6
91.05476	1.4
92.94497	0.6
93.07047	2.0
95.08591	3.9
97.10152	0.9
98.21479	1.1
101.88794	0.7
105.07014	1.7
107.04938	0.9
107.05757	0.6
107.08572	1.1
109.10175	1.0
119.08580	1.2
121.10071	1.0
123.11639	0.6
133.10112	1.7
135.11620	0.7
145.10182	0.9
147.11705	1.0
157.53772	0.7
180.17972	0.7
184.83775	0.6
218.11559	0.6
229.82645	0.6
275.20041	2.5
313.27246	1.5
324.81607	0.6
349.23709	0.7
401.17679	1.2
402.57645	0.6
413.17877	1.3
414.18396	1.7
415.19247	5.2
416.20105	1.6
428.19986	1.8
429.20703	8.5
430.21634	3.2
443.22702	4.6
444.23587	7.2
445.24374	3.7
448.26105	1.2
457.20050	1.3
458.25369	3.3
459.21317	2.3
459.25931	2.5
471.22095	1.2
472.22543	4.1
473.23590	5.5
474.24030	2.4
485.23291	3.6
486.24075	2.5
487.24881	21.0
488.25516	1.2
493.39059	0.9
503.24454	3.0
517.26282	3.5
545.25397	17.5
545.33289	1.2
546.26227	2.8
573.24841	1.7
577.27460	0.7
587.46753	0.9
605.27490	100.0
606.28021	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82632	1.8
53.03928	7.0
55.01855	7.3
55.05505	15.0
57.03427	15.1
59.04988	2.2
61.02917	35.5
65.03912	2.9
67.05488	34.7
69.03080	3.1
69.03413	26.9
69.07048	9.1
71.01349	2.3
71.04594	1.9
71.04973	5.6
71.31523	5.3
73.02911	15.7
78.96095	1.7
79.05476	51.1
81.03398	30.4
81.07041	30.1
83.04974	15.6
83.08601	6.0
84.08129	8.1
85.02385	3.1
85.02890	53.4
85.06513	6.0
87.04450	3.8
91.03944	19.8
91.05460	49.0
93.07027	51.9
95.04954	19.2
95.08590	21.3
97.02879	43.4
97.06509	8.5
99.04433	8.7
101.02353	5.4
103.03904	3.9
103.05442	2.5
105.07013	34.6
107.04988	9.6
107.08564	18.6
109.02844	10.5
109.06509	8.5
109.10143	6.9
111.04412	2.5
115.05360	3.1
117.07003	9.5
119.04927	3.7
119.08554	22.1
121.06489	6.1
121.10101	9.6
123.04409	2.8
123.08058	5.9
125.09509	2.5
127.03891	24.0
128.06187	3.7
129.05472	2.4
129.06969	16.8
131.05002	2.9
131.08571	11.1
133.06433	2.8
133.10106	10.6
135.04424	4.4
135.08049	4.2
135.11690	4.9
137.05940	3.4
137.09540	2.8
141.06927	4.1
143.08527	10.4
145.04938	7.5
145.06412	3.5
145.10158	12.2
147.04385	13.1
147.08015	4.7
147.11670	28.3
149.09535	2.3
153.05463	2.4
157.10081	3.5
159.08153	3.1
159.11662	4.6
161.09578	5.4
161.13245	13.0
163.03868	13.1
163.07579	2.8
164.04298	2.4
165.05510	2.7
171.08034	2.2
171.11662	29.3
173.04414	2.7
173.09622	3.4
173.13211	4.4
175.07504	2.3
183.06511	4.4
185.09544	2.0
189.12703	13.2
191.14188	2.2
193.15858	2.9
199.11189	2.2
201.07570	4.6
207.11804	3.1
207.13776	45.6
213.16476	2.4
221.15329	2.4
225.14799	4.5
231.66872	2.1
242.36479	1.9
251.14235	2.7
259.17014	2.4
269.15253	3.3
271.06152	2.6
271.84354	2.2
276.85156	2.3
281.17416	100.0
282.17804	2.8
287.16376	4.3
309.16840	5.6
323.18466	6.2
361.20123	7.3
389.19357	5.7
407.20499	3.8
425.21561	13.0
443.22797	6.4
443.34592	3.3
444.22244	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.7
55.01875	4.4
55.05505	8.5
58.99562	6.0
67.05483	23.2
69.07059	10.9
69.40769	38.1
79.05475	17.7
80.29437	3.5
81.03434	6.5
81.07048	33.2
83.04958	4.3
83.08606	4.5
91.05470	24.9
93.07040	29.9
95.04963	9.3
95.08596	49.3
99.08098	4.3
103.05460	3.8
105.07014	60.1
107.07008	3.9
107.08581	39.7
109.06499	4.8
109.10152	21.9
109.91413	3.0
111.04431	4.7
111.08065	3.2
115.07510	3.3
117.07003	12.8
119.08565	78.6
120.39516	2.9
121.06481	5.9
121.10129	30.4
128.06166	4.0
129.06981	7.5
131.08560	53.0
133.10117	36.0
135.08034	7.5
135.11670	13.5
142.07857	5.7
143.08533	20.3
145.10106	76.9
147.08017	4.9
147.11685	26.7
148.96103	3.9
149.13263	11.6
150.13586	3.1
155.08583	4.0
156.09406	8.3
157.10083	29.6
159.11687	43.1
161.04222	3.8
161.09663	5.4
161.13277	19.6
161.14458	4.6
163.11116	3.6
163.14859	11.6
169.10117	8.8
170.10883	13.0
171.11687	26.8
172.12413	4.6
173.13249	100.0
175.14825	37.2
177.16367	15.2
179.05344	3.8
183.11703	9.0
184.12151	4.2
185.13232	40.8
187.14793	64.9
187.16351	5.2
189.12775	5.1
189.16351	26.1
191.14301	7.7
191.17882	10.6
195.11681	4.4
197.13284	9.3
199.14810	36.9
201.12738	4.4
201.16354	53.1
203.14273	8.0
203.17941	12.5
205.10347	6.2
209.13297	5.9
211.14871	4.7
213.16333	9.1
217.12315	5.4
217.19429	3.4
219.13849	8.0
220.63992	3.3
221.15340	4.0
225.05800	6.9
227.17836	4.7
231.13885	7.1
233.15430	6.0
245.15268	4.3
247.16869	6.3
249.12927	3.6
293.11923	14.4
295.13623	14.1
307.13541	6.8
339.12509	3.8
341.14264	3.5
357.13748	3.9
373.28769	10.0
375.30457	10.3
401.28403	4.4
419.29440	20.5
421.30902	4.9
437.30450	8.8
441.48746	3.6
447.29636	3.3
465.30353	7.6
495.29214	10.7
541.29755	13.6
543.30988	4.1
559.30725	11.8
605.31824	4.2
612.56427	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	605.4767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.1
55.01864	12.6
55.05501	24.7
57.03421	5.1
57.07065	53.3
57.07347	2.5
62.70032	1.4
65.03927	2.8
67.05495	55.9
69.03405	2.4
69.07055	33.0
70.09460	7.1
71.04993	3.6
71.08620	35.5
77.83025	1.6
79.05483	38.6
80.07239	1.4
81.03407	2.5
81.07043	100.0
83.04973	4.9
83.08604	19.8
85.06539	4.7
85.10173	17.0
91.05466	33.5
93.07031	31.6
95.04958	10.3
95.08594	55.4
97.06519	19.1
97.10155	8.7
98.20710	1.6
99.08073	2.5
105.07011	39.7
107.04941	10.5
107.08576	23.0
109.06509	19.7
109.10141	22.0
111.08080	2.5
113.05980	1.5
113.85259	1.5
117.06998	9.3
119.08566	31.7
121.06493	5.4
121.10121	16.1
123.08047	6.2
123.11704	10.3
125.09592	4.5
125.10518	1.4
129.07005	4.3
129.54495	1.8
131.08553	14.0
133.06543	1.8
133.10109	17.5
135.08017	4.6
135.11716	7.1
137.09605	4.4
137.13309	2.6
141.06934	2.3
143.08513	3.6
145.10114	15.4
147.11653	20.5
149.09598	24.3
149.13249	5.2
151.11151	2.1
155.08519	2.7
157.10115	4.1
159.11685	10.8
161.13272	3.4
163.11124	11.1
163.14803	3.0
165.12709	6.0
169.10089	3.6
171.11707	2.4
173.13208	5.3
175.11172	1.8
175.14879	1.7
177.06831	1.5
177.12746	2.2
179.14252	1.8
180.20224	1.8
183.11697	3.6
183.13678	1.6
187.14792	2.3
189.11256	1.7
193.12337	2.5
197.13199	3.3
227.12744	3.4
229.19423	3.9
233.18924	2.1
239.17995	5.7
239.23645	5.2
247.20549	4.5
257.18994	10.4
275.20026	70.5
276.20294	2.3
293.20990	9.1
313.27310	49.3
331.22504	2.0
349.23700	33.1
352.17148	1.7
587.46765	23.4
605.25177	4.5
605.48120	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.7
53.03940	4.1
55.01864	10.2
55.05504	31.0
57.03419	5.9
57.06792	3.1
57.07064	46.9
65.03929	5.0
67.05497	66.1
69.03416	2.3
69.07059	29.7
71.04978	4.5
71.08244	2.6
71.08622	34.4
71.63931	2.9
78.95139	1.8
79.05479	41.1
79.30519	1.4
80.85308	1.6
81.07046	83.5
83.04974	5.3
83.08607	25.9
85.06521	4.7
85.10161	13.7
91.04922	2.6
91.05464	32.3
92.05670	1.4
93.07030	34.8
95.04955	7.9
95.08590	58.7
97.06522	18.0
97.10160	15.2
99.08047	2.7
102.10236	1.4
105.07015	33.7
107.04940	16.7
107.08579	36.4
109.06502	12.2
109.10142	31.4
109.97966	1.7
110.15309	1.5
111.08064	3.3
117.06960	11.3
119.08566	30.6
121.06477	3.7
121.10115	18.4
123.08063	4.9
123.11701	13.2
125.09600	5.6
128.06226	1.7
129.07036	2.5
131.08533	15.2
133.06471	1.9
133.10118	24.0
135.08031	6.1
135.11646	8.9
137.09595	5.9
137.10518	1.4
137.13171	2.3
139.11205	2.1
142.07765	1.5
143.08517	5.2
145.06497	1.5
145.10095	20.8
147.11662	21.7
148.00154	1.5
149.09601	28.0
149.10684	2.7
149.13229	4.9
151.11206	3.4
155.08575	1.8
157.10124	4.8
159.11696	11.0
161.09689	1.8
161.13255	5.3
163.11168	11.9
163.14742	1.9
165.09135	1.9
165.12772	4.9
165.16342	1.6
169.10118	2.8
171.11676	6.2
173.09668	1.5
173.11749	1.9
173.13252	6.8
175.11052	2.3
175.14839	1.8
177.12730	1.9
181.12192	2.0
183.11725	3.5
187.11102	1.9
189.11215	3.9
191.14368	2.1
197.13239	2.4
203.12596	1.6
207.13800	2.5
227.12715	15.6
229.19539	3.4
239.17931	4.7
239.23637	8.2
241.14276	2.0
247.20618	4.9
257.18967	16.8
273.18289	1.7
275.20016	100.0
293.21033	12.8
313.27325	71.3
314.27585	1.9
331.22543	2.9
332.89575	1.5
349.23669	44.6
350.23822	1.8
391.57913	1.7
483.36652	2.0
548.65570	1.9
587.37531	3.0
587.46631	37.3
605.47937	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.5
55.01848	8.1
55.05277	2.9
55.05505	34.2
57.03421	9.1
57.06806	2.7
57.07064	34.3
65.43746	3.1
67.05491	43.2
69.07051	18.2
70.28898	11.1
70.92459	2.2
71.04971	4.9
71.08622	25.5
79.05482	55.6
81.03413	2.2
81.07042	44.2
83.04949	6.8
83.08604	17.2
85.06517	3.0
85.10165	12.2
91.05466	42.2
93.07025	35.9
95.04948	8.7
95.08587	27.0
97.06506	6.3
97.10156	20.7
98.20818	2.5
105.07012	50.5
107.04941	25.8
107.08572	61.4
109.06480	3.1
109.10108	19.7
111.08044	3.3
113.97215	2.7
116.59932	2.2
117.06992	11.9
118.95320	2.2
119.08557	22.4
121.06475	2.6
121.10131	14.0
123.08039	3.4
123.11669	6.3
125.09605	16.4
129.06963	3.1
131.08533	17.6
133.10110	19.6
135.08026	4.8
135.11652	3.2
143.08496	3.2
145.10089	29.9
147.11684	14.4
149.09589	39.2
157.10078	3.1
159.11670	12.2
161.13293	3.2
163.11168	5.0
165.75259	2.1
169.10048	2.3
169.41203	2.1
171.11679	3.9
173.11781	2.3
173.13283	3.8
185.13208	3.4
189.11166	14.1
197.13168	3.0
202.56131	2.4
219.83463	2.4
224.84900	2.3
227.12744	32.7
228.13373	2.8
229.19501	6.7
239.17847	6.5
239.23579	3.7
257.18930	20.9
257.24631	2.9
275.20013	100.0
290.23343	2.2
293.20923	5.1
313.27332	69.9
331.22577	5.3
348.48575	2.5
349.23682	35.1
483.36682	5.1
587.46680	38.6
605.27191	3.5
605.40002	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	607.2544
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
50.86943	0.5
51.29849	0.6
51.32915	0.6
56.19622	0.6
67.05490	2.2
69.07035	1.0
70.18124	0.7
70.29306	1.8
70.29723	1.6
79.05487	1.4
80.19193	0.5
81.03415	0.7
81.07034	2.4
83.08614	0.7
91.05472	1.9
93.07021	1.2
95.04933	0.9
95.08583	2.0
97.06533	0.8
105.07002	1.9
107.04999	0.7
109.10191	0.8
117.06992	0.8
119.08607	0.8
133.10149	1.0
145.10112	1.0
152.57431	0.7
155.08569	0.7
240.66818	0.7
269.38495	0.7
275.20020	0.9
338.12827	0.6
375.15930	0.8
388.17337	0.7
389.17651	2.8
390.18381	1.0
391.19492	0.7
402.18872	1.5
403.19302	3.9
404.20007	1.8
405.20847	1.8
415.19540	1.0
417.16751	2.2
417.21301	1.4
419.22534	3.8
420.22711	0.8
421.86087	0.8
429.20581	0.9
431.18124	3.8
432.19324	2.0
433.19775	1.4
445.20956	4.3
446.21210	3.0
447.21729	5.4
459.17511	3.7
460.18326	1.2
461.19824	3.2
463.24997	1.0
473.19623	1.3
474.20523	9.3
475.21213	10.8
476.22012	0.9
487.21188	1.2
488.21686	0.9
501.23190	1.4
518.23138	1.3
519.24664	4.3
547.23322	27.9
548.24054	1.2
607.25427	100.0
608.25940	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	607.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35107	0.2
53.11605	0.2
63.37556	0.2
64.40904	0.2
67.05492	0.2
69.71867	1.6
74.46561	0.2
91.05496	0.3
108.08062	0.3
153.86082	0.2
161.09349	0.2
197.10776	0.3
207.09109	0.3
221.10701	0.3
251.11862	0.6
300.14886	0.2
310.13480	0.3
314.12897	0.3
323.14041	0.3
336.14832	0.3
338.16629	0.3
373.14978	0.3
374.15524	0.7
375.15982	0.8
376.17761	0.3
386.16763	0.2
387.16391	0.7
388.16830	1.3
389.17526	3.3
390.18320	1.5
391.19077	1.1
392.20148	0.4
401.13165	0.3
401.17645	1.0
402.14011	0.4
402.18866	1.2
403.19467	4.8
404.16171	0.2
404.19989	2.3
405.20740	3.9
406.21469	0.4
415.19647	0.5
416.15433	1.4
416.20966	0.4
417.16156	5.1
417.21124	2.3
418.17606	1.2
418.21616	1.3
419.22418	7.7
420.22925	1.4
429.16721	0.5
430.17776	0.9
430.22495	0.4
431.18195	9.4
432.18991	3.7
433.20074	4.7
433.25287	0.4
434.21179	0.4
441.16995	0.3
443.18835	0.6
444.19730	0.4
445.20099	6.1
446.20956	10.1
447.21658	10.8
448.22244	0.9
449.19424	0.3
459.17316	0.9
459.21762	2.2
460.18893	1.1
461.19424	2.5
462.23923	0.9
463.25143	0.9
473.19232	0.8
473.23978	0.8
474.20313	6.4
475.20920	5.3
476.21851	0.5
477.22983	0.8
478.23627	0.9
487.21121	2.1
488.21915	0.4
488.50980	0.3
490.24008	0.6
491.19971	3.8
501.22882	1.2
502.23340	0.3
504.21448	0.7
505.22162	1.1
506.23123	0.5
517.22357	0.3
518.23053	0.4
519.24066	19.7
520.24475	1.2
529.22809	0.3
532.21155	0.3
533.25183	0.4
547.23285	14.5
548.23810	0.8
551.26471	0.4
561.24896	0.4
579.25928	6.5
589.24109	0.3
607.25409	100.0
608.25720	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01791	0.9
55.05429	1.1
57.03350	0.5
57.06984	2.3
64.15971	0.3
67.05412	3.5
68.05772	0.8
69.03345	0.3
69.06982	1.5
71.04920	0.6
71.05972	0.5
71.06301	0.7
71.08531	1.2
71.21427	0.3
79.05386	2.6
81.06948	3.6
82.07315	0.6
83.08517	1.4
85.10101	0.8
87.21504	0.3
91.05457	2.5
93.07037	2.3
95.04883	0.8
95.08590	2.8
96.08863	0.8
97.06440	0.8
97.10091	0.8
105.07037	3.0
106.07256	0.5
107.04874	0.7
107.08584	1.9
108.08841	0.4
109.06373	0.4
109.10033	1.3
111.07935	0.4
117.06916	1.2
119.08434	1.6
120.08840	0.4
121.10013	1.2
123.11591	0.5
127.67243	0.4
131.08440	1.1
133.09117	0.3
133.10095	1.7
135.07971	0.5
135.11562	0.4
137.09492	0.3
143.08447	0.6
145.09959	1.2
147.11502	1.0
148.11938	0.5
149.09476	1.2
150.09924	0.4
157.10013	0.6
159.11577	0.7
161.13197	0.3
163.11032	0.7
169.09987	0.5
183.11653	0.5
195.11479	0.4
197.13199	0.4
209.10533	0.7
219.17400	0.7
225.09969	0.4
227.12741	0.6
228.13036	0.4
275.20007	2.6
276.20358	1.9
286.13467	0.4
313.27136	1.2
314.27673	1.1
315.27869	0.4
324.14603	0.6
350.23886	0.8
373.14447	0.8
374.15298	0.9
375.15936	1.2
387.16010	1.3
388.16998	1.8
389.17615	4.9
390.18329	1.9
391.19250	1.0
401.17834	0.9
402.14539	1.3
402.18445	1.1
403.15463	0.9
403.19461	6.4
404.20145	2.8
405.20761	2.9
415.14740	0.8
415.19763	0.4
416.15665	1.8
416.20972	0.4
417.16074	5.9
417.20917	3.5
418.17548	1.5
418.21667	1.5
419.22375	9.6
420.22946	0.5
427.19104	0.4
429.16461	0.7
430.17096	2.0
431.18314	11.0
432.19070	4.4
433.19949	3.8
435.22034	0.4
441.17078	0.9
443.18552	0.9
444.19513	0.7
445.20157	9.1
445.29398	0.5
446.20947	9.2
447.21695	13.3
448.22525	0.6
459.17789	2.0
459.22263	1.6
460.18817	1.5
461.19174	1.9
462.24442	0.6
463.24744	1.3
473.19412	1.3
473.24026	0.4
474.14932	0.3
474.20364	12.9
475.21143	14.1
476.21655	0.5
477.23218	0.6
478.23642	0.7
487.21237	3.1
488.21646	1.0
490.23672	1.7
491.20972	1.9
501.22885	2.5
503.25119	0.5
504.20901	0.6
505.22025	0.9
506.23355	0.8
519.24042	13.4
520.23975	0.7
529.22577	0.5
532.21002	1.1
547.23340	76.4
548.23645	3.6
561.24762	1.3
579.25922	4.5
588.46985	1.1
589.24475	1.5
589.47968	0.6
594.79974	0.4
606.47546	1.0
607.25452	100.0
607.42676	2.6
608.25891	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01860	7.2
55.05504	18.5
57.03426	3.3
57.07065	4.6
59.51538	1.2
67.05497	32.7
69.07056	16.0
70.50783	2.8
70.51172	3.3
71.04961	1.7
71.08604	2.7
79.05479	27.3
81.03427	2.1
81.07047	28.6
83.04988	3.3
83.08608	7.7
85.06561	1.6
91.05470	26.8
93.07030	25.2
95.04955	11.7
95.08591	23.3
97.06519	7.1
97.10146	3.6
99.08109	1.8
101.81513	1.5
103.05450	2.0
105.07018	25.7
107.04957	5.1
107.08585	15.2
109.06509	2.7
109.10135	10.9
111.08039	3.5
115.05402	2.0
117.06987	14.1
118.07777	1.5
119.08575	18.1
121.10114	9.3
123.08109	1.7
123.11690	2.7
125.09502	1.8
128.06209	2.6
129.06982	9.6
130.07756	1.8
131.08560	17.7
133.10133	16.1
133.11050	2.3
134.05887	1.3
135.08066	2.3
135.11685	6.5
137.09601	1.9
137.13266	1.4
139.11201	1.5
141.06967	5.2
142.07768	2.7
143.08562	12.7
145.10110	13.8
147.11674	9.7
149.09605	2.7
149.13232	2.2
153.06927	2.2
154.07773	1.6
155.08549	9.7
157.10115	12.1
159.11691	10.9
161.13243	4.3
163.11169	2.6
165.07021	1.7
167.07332	1.4
167.08528	8.2
168.09323	1.7
169.10110	11.1
171.11662	9.3
173.13284	6.0
175.14821	1.5
179.08563	3.2
179.14326	2.1
181.10098	11.2
182.10919	1.6
183.11673	12.4
185.13284	5.6
187.14825	2.1
191.08568	2.0
193.10146	5.2
194.10933	1.6
195.11627	10.3
197.13263	9.1
199.14877	2.6
201.16422	2.1
205.10217	1.6
207.11668	6.1
207.13469	1.6
208.12440	1.7
209.13275	9.3
209.15016	1.4
211.14841	4.8
213.16341	2.1
219.11787	3.3
221.13284	6.1
223.12616	1.8
223.14735	7.8
225.13914	3.2
225.16324	3.5
227.17892	2.5
235.14784	5.0
237.14059	2.4
237.16370	5.7
241.19527	3.2
247.14879	1.9
249.10069	1.6
249.16286	3.4
251.17896	2.5
257.19006	2.4
259.20618	2.2
261.16367	2.7
263.17795	1.7
275.20135	15.5
279.21094	2.0
307.20438	1.9
313.27322	3.6
315.23166	3.7
349.23904	2.3
363.26724	3.0
368.17770	2.3
379.26144	1.6
388.91400	1.6
403.29733	1.9
417.17096	2.6
419.22562	2.0
431.18619	3.3
432.19485	2.0
445.20316	4.0
445.30576	1.8
446.20935	2.7
447.22025	2.3
454.17569	2.0
461.22806	1.8
473.19055	1.9
473.34332	1.5
474.20465	3.0
475.20715	2.3
487.21436	2.6
509.36157	1.7
515.38947	10.4
519.23676	4.3
533.39899	7.6
537.35565	1.9
538.36310	1.6
547.23181	21.8
551.40918	2.3
575.23138	4.0
575.83051	1.6
579.26276	2.1
589.41693	8.1
607.25555	80.3
607.43402	100.0
608.26208	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	607.2542
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
55.01851	0.5
55.05505	1.7
59.69788	0.3
63.82235	0.3
67.05503	3.4
68.19347	0.3
69.07054	1.2
69.90222	2.1
79.05496	2.3
81.03410	1.2
81.07045	3.1
83.08598	0.9
91.05458	2.3
93.07043	2.5
95.08614	1.6
97.06515	0.4
105.07009	1.9
107.08604	1.4
109.06511	0.6
109.10170	0.9
117.07003	0.6
119.08565	0.7
120.40768	0.3
121.10135	0.7
129.07022	0.8
131.08543	0.6
133.10101	0.6
135.11652	0.4
141.06996	0.3
143.08556	0.6
145.10130	0.8
149.09677	0.4
159.11711	0.3
169.10165	0.6
181.10124	0.4
183.11790	0.3
197.13264	0.5
221.10762	0.6
221.13188	0.3
223.12439	0.5
223.14528	0.4
224.12950	0.4
373.14514	0.4
374.15274	0.6
375.15793	0.5
376.16815	0.4
387.16357	0.6
388.16913	1.0
389.17450	2.4
390.18463	0.7
391.19110	1.0
401.17746	0.6
401.43817	0.4
402.18643	0.7
403.14685	0.7
403.16229	0.6
403.19543	3.7
404.19998	1.1
405.20676	3.0
405.37994	0.3
406.20959	0.4
415.19345	0.6
416.16006	0.9
416.20786	0.7
417.17078	3.5
417.21082	2.1
418.17679	1.1
418.21716	1.0
419.22488	5.9
420.23187	0.7
430.18085	0.9
431.18234	8.2
431.24026	0.6
432.19144	3.2
433.20111	3.7
434.20715	0.4
437.25339	1.2
445.20187	5.5
446.20966	8.8
447.21686	8.9
450.20834	0.4
459.17157	0.7
459.22055	1.4
460.17834	0.4
461.19263	1.9
462.24213	0.6
463.25510	0.6
473.19577	1.0
473.24661	0.5
474.20432	5.0
475.21152	4.1
476.21655	0.4
477.23047	0.6
478.23801	0.9
487.21347	1.4
490.24039	0.4
491.19751	3.1
501.23074	1.3
505.22211	0.5
519.24036	17.0
520.24310	1.2
533.21405	0.4
547.23364	12.1
548.23389	0.9
561.24731	0.5
579.26031	6.0
580.25989	0.5
589.23944	0.5
607.25464	100.0
608.25757	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	607.29
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
63.10440	0.5
69.38361	1.8
69.38796	2.9
85.32189	0.4
101.67494	0.4
106.01221	0.4
114.90302	0.4
134.42827	0.4
200.11214	0.4
220.10037	0.4
224.50723	0.4
287.06073	0.4
314.07220	0.5
364.33487	0.4
388.16763	0.4
389.17639	1.7
401.17532	0.5
402.18347	1.8
403.19171	3.4
404.20117	1.3
405.20850	2.1
415.19531	0.9
416.15421	0.5
416.20038	1.3
417.16180	0.9
417.21176	4.5
418.21735	2.4
419.22260	4.2
430.17795	1.2
431.18042	8.4
431.23535	0.9
432.18707	2.2
433.24042	6.6
434.24655	1.1
445.19760	9.9
446.20633	4.8
447.21558	3.6
459.21066	3.2
460.22513	7.6
461.23230	8.0
473.23474	2.1
474.24484	1.1
487.25159	0.7
505.22421	1.8
519.28119	1.0
532.24622	0.5
547.26941	17.0
548.27905	0.6
575.26410	1.0
607.29047	100.0
608.29370	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	607.29
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
61.99668	0.2
69.69018	0.3
69.69422	1.6
77.52171	0.2
199.13618	0.2
212.16043	0.2
213.63420	0.3
230.32416	0.2
253.94473	0.2
306.75983	0.3
322.72189	0.2
388.17023	0.3
389.17572	0.9
401.17828	0.6
402.18362	1.0
403.18976	1.7
404.19965	0.6
405.20731	0.8
416.19925	0.5
417.15848	0.4
417.21167	2.5
418.21683	1.2
419.22421	1.7
429.21054	0.3
430.17703	0.7
431.17999	4.2
431.23404	0.5
432.19321	1.0
433.24033	6.4
434.24380	0.8
444.19080	0.3
445.19736	5.7
446.20651	2.7
447.21655	2.2
449.23608	0.3
459.21512	2.9
460.22458	9.2
461.23257	10.0
462.23807	0.7
473.23285	2.0
474.24152	0.9
477.22751	0.4
487.24750	1.1
488.25677	0.3
491.25012	0.3
492.25351	0.3
504.25031	0.4
505.21997	1.8
515.24384	0.6
519.23956	0.8
519.27289	0.8
532.24756	0.6
547.26959	40.8
548.27344	3.0
575.26270	1.2
579.29553	0.9
592.26923	0.3
607.29053	100.0
608.29358	4.9
621.86658	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	607.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.4
55.01855	5.7
55.05505	31.3
57.03430	8.4
57.07051	4.3
57.73587	1.6
65.03927	3.4
67.05494	69.4
69.03415	13.3
69.07056	25.4
70.50919	6.5
71.04986	5.7
73.02877	1.5
77.08812	1.6
79.05483	43.4
81.02940	2.0
81.03407	44.3
81.07043	86.0
83.04982	12.0
83.08601	15.4
85.02894	5.4
85.06529	6.2
87.90584	1.7
91.05464	41.8
92.05765	1.4
93.07028	57.1
95.04956	14.9
95.08595	41.5
97.02871	8.1
97.06526	10.9
97.10145	5.2
97.50709	1.5
98.03617	1.4
99.04456	3.8
99.08081	3.1
103.05479	2.1
105.07015	32.9
107.04939	5.8
107.07901	2.8
107.08581	34.2
109.02864	11.0
109.06494	6.3
109.10149	12.2
111.04456	8.7
111.08064	4.9
115.05426	3.3
117.06998	18.1
119.08562	26.1
121.06469	5.0
121.10126	20.8
123.08033	3.7
123.11678	6.9
125.09571	2.7
127.03917	7.2
128.06212	2.8
129.06993	14.0
131.04901	2.3
131.08542	27.8
133.06477	3.3
133.10121	18.8
135.08032	4.2
135.11667	10.6
137.09515	1.8
141.06982	4.2
142.07703	2.3
143.08534	12.2
145.06471	3.0
145.10100	13.5
147.08022	2.2
147.11650	13.7
149.09605	3.8
149.13240	17.9
154.07729	2.2
155.08502	13.4
156.09294	2.4
157.10123	13.3
159.08041	2.4
159.11653	17.5
161.13220	5.4
163.11180	2.4
165.07011	2.5
165.12750	4.7
167.08545	6.4
168.09280	4.0
169.10101	18.1
170.10880	1.7
171.11652	9.9
173.04485	2.8
173.13249	5.7
175.11154	2.9
177.12704	7.1
179.08440	4.2
179.14346	1.8
181.10123	10.2
183.06468	2.3
183.11633	12.1
185.09645	2.2
185.13199	8.0
187.14848	3.2
191.08443	1.7
193.10114	6.0
193.12073	1.7
195.11873	12.9
195.13805	12.2
197.13266	7.8
199.06003	1.9
199.11185	3.1
199.14827	3.3
201.12640	2.4
201.16356	2.3
205.10097	2.7
207.11664	5.0
208.12373	1.5
209.13226	12.0
211.10957	1.8
211.14825	4.9
213.14680	2.2
213.16493	2.4
219.11687	1.8
221.13229	5.5
223.14832	6.4
225.16368	3.7
233.13202	3.5
233.15315	2.9
235.14766	4.3
237.16347	5.7
239.17949	3.4
241.19473	2.8
247.14818	2.7
249.16605	3.3
251.18042	3.0
257.19006	2.2
259.20798	1.8
265.19427	2.8
267.15961	5.4
269.17392	11.0
275.16464	1.7
275.20016	4.0
285.14795	1.8
303.15979	3.4
303.20377	1.6
313.21768	1.7
313.51022	1.5
315.23050	2.3
321.16846	5.4
321.22000	1.7
335.23447	1.6
339.18073	10.0
341.24487	1.4
349.25204	1.7
353.24768	2.0
363.26587	2.5
377.19376	2.5
377.28448	2.6
395.20715	9.0
445.29883	5.1
463.30722	12.1
497.37616	2.5
509.36072	4.4
515.38965	12.6
533.39685	7.5
537.35919	1.7
547.22522	2.9
551.40521	2.8
553.47046	1.6
571.32941	2.3
589.33282	6.3
589.42236	7.6
607.23895	3.2
607.26495	3.3
607.34357	62.1
607.43390	100.0
608.34735	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56988	1.1
53.03739	1.1
53.03938	11.7
55.01865	6.1
55.05504	28.0
57.03432	7.9
57.07073	2.3
57.38802	1.1
65.03931	4.9
67.05496	74.7
68.12766	1.2
69.03423	26.6
69.07058	27.5
70.00244	6.4
70.06592	1.2
71.01345	2.5
71.04999	6.7
73.02888	2.0
76.76790	1.1
79.05016	2.6
79.05480	54.8
81.03407	72.6
81.07045	100.0
83.04965	18.8
83.08604	18.7
85.02896	9.7
85.06539	8.0
91.05473	42.4
93.07034	62.3
94.11216	1.1
95.04951	15.9
95.08588	34.9
96.81112	1.2
97.02872	13.5
97.06514	16.8
97.10144	2.8
99.04443	4.7
99.08091	3.2
103.05490	1.5
105.04527	2.6
105.07023	29.3
107.04955	6.5
107.08575	36.8
109.02869	17.6
109.06513	7.9
109.10151	5.4
111.04427	11.0
111.08064	7.4
115.05510	2.2
117.07002	16.5
119.04958	2.2
119.08561	14.0
121.02847	2.1
121.06517	6.8
121.10130	21.0
123.04433	2.5
123.08059	4.2
123.11689	8.7
125.06010	1.9
127.03892	11.2
127.07621	1.2
129.07018	6.2
131.04916	2.3
131.08549	16.0
133.06479	4.7
133.10106	17.7
135.04466	2.4
135.08057	5.2
135.11661	12.4
137.05972	3.5
137.09584	1.5
141.06999	1.9
142.07718	1.4
143.08540	3.9
145.02844	1.7
145.06514	3.3
145.10063	5.9
147.04410	4.7
147.08018	3.8
147.11665	15.0
149.05957	2.1
149.09631	2.3
149.13239	27.7
151.07492	2.0
151.11179	1.6
153.09050	1.4
155.08546	2.7
157.10123	4.7
159.08055	1.4
159.11678	15.0
161.09599	1.5
161.13229	2.7
163.03937	4.9
163.07680	1.5
163.11209	1.7
165.12755	7.1
167.07112	1.4
167.08527	1.7
169.10182	2.9
171.08102	1.9
171.11668	1.9
173.06027	1.6
173.09615	1.9
173.13191	2.4
175.11122	1.4
177.05486	2.5
177.12698	8.8
181.10036	1.4
183.06540	3.2
183.11795	2.3
185.13252	1.5
187.11253	1.6
189.12701	1.3
193.12192	1.9
195.13757	18.3
197.13289	1.4
199.14932	1.4
201.12744	1.5
207.13821	1.8
209.13365	1.5
213.13040	1.3
213.14905	4.6
219.13795	1.8
249.14857	1.2
253.17883	1.4
261.14999	2.0
267.15833	6.6
269.17456	15.1
285.14737	2.6
297.16898	2.1
303.15930	3.9
311.18823	1.9
321.17017	7.1
339.17999	14.4
377.19659	3.8
395.20599	17.2
445.29617	6.2
463.30609	11.8
497.48273	1.2
507.34824	1.3
571.32520	1.7
589.33893	6.0
607.34692	88.7
608.34802	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.4
55.01855	5.7
55.05505	31.3
57.03430	8.4
57.07051	4.3
57.73587	1.6
65.03927	3.4
67.05494	69.4
69.03415	13.3
69.07056	25.4
70.50919	6.5
71.04986	5.7
73.02877	1.5
77.08812	1.6
79.05483	43.4
81.02940	2.0
81.03407	44.3
81.07043	86.0
83.04982	12.0
83.08601	15.4
85.02894	5.4
85.06529	6.2
87.90584	1.7
91.05464	41.8
92.05765	1.4
93.07028	57.1
95.04956	14.9
95.08595	41.5
97.02871	8.1
97.06526	10.9
97.10145	5.2
97.50709	1.5
98.03617	1.4
99.04456	3.8
99.08081	3.1
103.05479	2.1
105.07015	32.9
107.04939	5.8
107.07901	2.8
107.08581	34.2
109.02864	11.0
109.06494	6.3
109.10149	12.2
111.04456	8.7
111.08064	4.9
115.05426	3.3
117.06998	18.1
119.08562	26.1
121.06469	5.0
121.10126	20.8
123.08033	3.7
123.11678	6.9
125.09571	2.7
127.03917	7.2
128.06212	2.8
129.06993	14.0
131.04901	2.3
131.08542	27.8
133.06477	3.3
133.10121	18.8
135.08032	4.2
135.11667	10.6
137.09515	1.8
141.06982	4.2
142.07703	2.3
143.08534	12.2
145.06471	3.0
145.10100	13.5
147.08022	2.2
147.11650	13.7
149.09605	3.8
149.13240	17.9
154.07729	2.2
155.08502	13.4
156.09294	2.4
157.10123	13.3
159.08041	2.4
159.11653	17.5
161.13220	5.4
163.11180	2.4
165.07011	2.5
165.12750	4.7
167.08545	6.4
168.09280	4.0
169.10101	18.1
170.10880	1.7
171.11652	9.9
173.04485	2.8
173.13249	5.7
175.11154	2.9
177.12704	7.1
179.08440	4.2
179.14346	1.8
181.10123	10.2
183.06468	2.3
183.11633	12.1
185.09645	2.2
185.13199	8.0
187.14848	3.2
191.08443	1.7
193.10114	6.0
193.12073	1.7
195.11873	12.9
195.13805	12.2
197.13266	7.8
199.06003	1.9
199.11185	3.1
199.14827	3.3
201.12640	2.4
201.16356	2.3
205.10097	2.7
207.11664	5.0
208.12373	1.5
209.13226	12.0
211.10957	1.8
211.14825	4.9
213.14680	2.2
213.16493	2.4
219.11687	1.8
221.13229	5.5
223.14832	6.4
225.16368	3.7
233.13202	3.5
233.15315	2.9
235.14766	4.3
237.16347	5.7
239.17949	3.4
241.19473	2.8
247.14818	2.7
249.16605	3.3
251.18042	3.0
257.19006	2.2
259.20798	1.8
265.19427	2.8
267.15961	5.4
269.17392	11.0
275.16464	1.7
275.20016	4.0
285.14795	1.8
303.15979	3.4
303.20377	1.6
313.21768	1.7
313.51022	1.5
315.23050	2.3
321.16846	5.4
321.22000	1.7
335.23447	1.6
339.18073	10.0
341.24487	1.4
349.25204	1.7
353.24768	2.0
363.26587	2.5
377.19376	2.5
377.28448	2.6
395.20715	9.0
445.29883	5.1
463.30722	12.1
497.37616	2.5
509.36072	4.4
515.38965	12.6
533.39685	7.5
537.35919	1.7
547.22522	2.9
551.40521	2.8
553.47046	1.6
571.32941	2.3
589.33282	6.3
589.42236	7.6
607.23895	3.2
607.26495	3.3
607.34357	62.1
607.43390	100.0
608.34735	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.5
54.02530	1.1
54.51119	1.3
55.01860	10.6
55.05504	21.5
57.03421	3.8
57.07058	3.2
60.52182	1.2
65.03931	3.0
67.05494	48.8
69.07058	37.8
71.04984	2.5
73.02918	1.1
73.30869	1.2
79.05484	40.5
81.03396	6.6
81.07044	48.2
83.04964	6.5
83.08604	9.1
85.06530	2.9
91.05467	67.1
93.07029	38.6
95.01306	8.5
95.04942	10.8
95.08595	36.1
97.06528	15.5
97.10159	5.8
98.20632	2.2
98.51965	1.4
99.08059	2.2
103.05466	3.8
105.07013	77.4
107.04946	16.1
107.08572	22.8
109.06515	3.7
109.10152	11.9
111.08060	3.0
115.05447	2.2
117.07006	22.4
119.08561	40.4
121.06468	2.1
121.10126	12.6
121.93450	1.3
123.08076	3.2
123.11715	2.5
125.09632	3.1
128.06200	2.7
129.06972	15.0
131.08545	34.4
133.10106	38.2
133.34912	1.3
135.08073	3.9
135.11655	7.7
137.09654	1.5
141.06993	6.3
142.07793	3.1
143.08549	12.6
145.06471	2.2
145.10100	27.8
147.08072	2.1
147.11659	25.6
147.12843	1.4
149.09616	4.8
149.13275	5.6
151.11143	1.9
155.08537	8.7
156.02957	1.4
157.10106	10.9
159.11671	21.4
160.90619	1.6
161.13214	8.5
163.11172	2.7
163.14806	2.1
165.06996	1.6
167.08559	5.0
169.10120	9.8
171.11678	13.1
173.13222	9.1
175.11247	2.0
175.14861	3.1
177.12727	3.6
179.08478	4.2
179.14328	11.0
180.09232	1.7
181.10123	8.7
183.11717	7.7
185.11795	2.0
185.13181	7.9
187.11136	2.7
187.14842	4.7
189.12865	1.4
193.10187	1.8
195.11685	6.9
197.13210	6.8
199.14871	4.0
207.11694	4.3
209.13257	5.9
211.14903	2.2
213.16417	2.5
217.19579	1.7
219.11664	1.9
221.13275	3.2
223.14894	3.6
225.16394	1.8
231.21210	2.4
233.13327	1.8
235.14832	2.8
237.16312	3.6
239.17990	4.4
241.19463	8.6
251.17935	2.2
257.19022	5.6
259.20538	11.2
273.18509	1.9
275.20023	58.0
293.21008	5.1
297.22086	2.0
315.23114	14.0
321.22049	1.4
349.23697	6.2
386.98581	1.4
435.32913	1.6
483.34479	3.4
493.42270	1.3
515.38574	5.4
533.39899	4.9
538.36072	1.8
539.36829	1.5
551.40680	3.2
589.42609	3.9
607.43463	100.0
608.43945	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	607.435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51249	0.7
53.03937	2.0
55.01855	3.1
55.05504	16.7
57.03427	3.8
57.07058	1.5
57.18251	0.7
63.96484	0.7
64.30168	0.7
65.03932	1.8
67.05495	30.2
69.03400	0.9
69.07061	14.2
71.04977	2.2
71.08603	0.9
79.05019	1.4
79.05482	23.1
81.03407	1.7
81.07046	30.7
83.04958	2.1
83.08609	7.4
85.06539	1.5
87.04469	0.8
91.05464	21.4
93.07033	19.8
93.07516	0.6
95.04404	0.7
95.04957	3.6
95.08591	19.2
97.06510	3.4
97.10149	3.9
99.08084	1.1
105.04514	0.8
105.06332	1.2
105.07019	18.8
107.04926	2.0
107.08578	13.7
107.09248	1.4
109.06530	2.2
109.10131	7.9
111.08045	1.8
115.05452	2.8
117.07010	9.1
119.08570	14.8
121.06497	1.6
121.10133	8.3
123.08071	1.5
123.11701	2.2
125.09608	2.1
128.06198	3.8
129.06989	10.7
129.14574	0.8
130.07794	1.8
131.08542	15.8
133.10115	11.7
135.08073	1.3
135.11694	3.7
137.09612	1.0
137.13200	1.0
141.06964	5.7
142.07759	2.5
143.08543	14.8
145.10118	11.5
147.08089	1.0
147.11687	6.7
149.09538	1.5
149.13269	2.4
153.07047	1.6
154.07750	2.4
155.08531	14.0
156.09363	2.0
157.10104	12.0
159.11667	8.2
161.09637	1.1
161.13258	3.4
163.11163	1.8
163.14789	1.0
165.07013	3.1
166.07759	1.8
167.08530	9.6
168.09279	1.6
169.10098	16.8
170.10757	0.9
171.11682	9.1
173.11922	0.9
173.13235	5.1
175.14841	1.8
177.12743	1.2
179.08559	4.7
180.09341	2.7
181.10103	11.9
182.10881	1.7
183.11679	14.0
184.12297	0.8
185.13220	6.8
187.14871	2.4
189.16341	1.0
191.08432	1.2
192.09293	1.3
193.10110	6.5
194.10863	2.9
195.11664	13.3
196.12396	1.0
197.09647	0.9
197.13219	9.7
199.11139	1.0
199.14783	4.1
201.16345	1.6
205.10098	2.0
206.10889	1.7
207.11693	6.4
208.12457	1.6
209.13211	11.2
210.14043	1.1
211.14810	7.3
213.12738	1.0
213.16461	2.6
215.14238	0.8
217.10146	1.1
219.11644	2.9
220.12396	0.9
221.13168	7.9
222.14027	0.8
223.11188	0.9
223.14763	7.2
225.16331	4.0
227.17943	1.3
229.15918	0.7
229.94147	0.9
231.11700	1.0
233.13199	2.9
235.14809	5.0
237.16388	5.8
239.18062	3.8
241.19647	1.1
247.14870	2.3
249.16402	3.2
251.17943	3.4
253.19536	2.3
257.19049	1.2
259.20523	1.9
261.16241	1.5
263.17990	1.7
265.19525	2.1
267.17233	1.0
272.10495	1.5
275.20044	4.4
277.19449	1.8
279.21118	1.3
283.20740	0.7
289.19537	1.0
291.21097	1.3
293.22742	0.9
297.22006	1.4
305.18924	0.9
319.20404	1.4
321.22195	1.7
323.23749	1.7
325.21704	0.8
325.25436	0.7
333.21982	1.8
335.23721	2.7
337.21594	1.1
337.25339	1.1
339.23227	1.4
347.23703	1.7
349.25235	1.5
351.23199	1.1
353.24652	1.2
363.26837	1.1
367.26266	1.3
375.26886	1.2
377.28366	2.4
379.26111	1.0
389.28192	1.3
391.29999	2.2
395.29868	0.7
405.27643	0.9
407.29517	1.5
417.31689	1.6
421.30887	1.0
433.30746	0.9
435.32355	0.9
445.30902	2.2
497.37967	1.6
515.38831	8.5
533.40057	7.9
537.36041	1.6
551.40948	4.2
571.41119	1.9
589.42529	8.5
596.04889	0.9
607.43518	100.0
608.43542	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	607.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
55.01863	2.9
55.05505	18.6
57.03438	4.0
57.07066	2.2
65.03918	1.5
67.05499	28.2
69.03458	1.0
69.07059	16.5
69.48354	2.0
69.48766	6.1
71.04981	0.9
79.05486	24.7
81.07047	32.1
83.04966	3.2
83.08608	8.2
83.20152	0.7
84.96585	0.9
85.06547	1.9
91.05470	22.5
93.07035	22.9
95.01330	0.9
95.04951	3.8
95.08595	23.9
97.06518	3.4
97.10155	4.0
99.08099	1.9
103.05443	1.3
105.07021	21.8
105.07716	1.2
107.04936	2.2
107.08581	13.0
109.06516	2.6
109.10152	10.0
111.08070	1.7
115.05428	1.3
117.07005	11.5
119.08575	15.9
121.06509	1.0
121.10136	9.1
123.08058	0.9
123.11710	2.5
125.09664	1.9
128.06242	2.9
129.06981	10.9
130.07860	0.8
131.08545	16.3
133.10120	12.1
135.08057	0.8
135.11681	4.5
137.09613	1.7
139.11198	0.9
141.06972	6.9
142.07793	2.3
143.08548	13.3
144.09227	1.0
145.10112	13.6
147.08037	1.0
147.11682	7.5
149.09653	2.2
149.13254	2.0
151.11179	1.5
153.06953	3.9
154.07765	1.5
155.08542	16.1
156.09338	2.3
157.10130	13.3
159.08034	1.3
159.11670	10.8
161.13199	3.9
163.11079	0.9
163.14786	0.9
165.06944	3.6
166.07809	3.3
167.08551	12.3
168.09332	2.4
169.10115	16.3
169.11484	1.2
171.11670	10.8
173.13251	4.2
175.11259	0.9
175.14810	1.6
178.07787	0.9
179.08528	6.4
180.09332	3.0
181.10098	14.8
182.10840	2.5
183.11685	16.3
185.13240	7.6
187.11162	1.3
187.14861	2.4
189.12801	1.0
191.08611	1.5
192.09329	1.5
193.10129	7.6
194.10864	2.4
195.11665	14.7
195.13316	1.3
196.12378	1.9
197.09518	0.9
197.13210	11.5
199.13242	1.1
199.14844	5.6
201.16454	1.9
205.10153	2.9
206.10962	1.4
207.11714	8.8
208.12390	1.7
209.13243	11.5
210.13953	1.4
211.14754	6.6
211.16313	0.8
213.16412	2.2
217.10112	1.0
219.11613	3.6
221.13242	7.6
222.14110	1.5
223.14810	9.2
225.16350	5.0
227.18121	1.4
231.11745	1.4
233.13246	3.6
234.13849	1.2
235.14833	4.6
236.15541	0.9
237.16298	5.3
239.17969	2.5
241.19460	0.9
245.13332	0.9
245.19170	0.8
247.14886	2.3
248.15472	0.9
249.16345	3.5
251.17961	3.4
253.19525	2.0
255.17320	1.5
257.18881	0.9
259.20557	1.7
261.16498	2.1
263.17984	3.2
265.19473	2.3
267.21094	1.0
273.16251	1.0
275.20111	3.4
277.19492	1.7
279.21057	2.3
287.20483	1.0
289.19424	1.5
291.21124	1.1
293.22592	0.9
297.22076	1.0
305.22650	1.3
309.22134	1.5
311.20331	1.0
313.21616	0.8
319.20490	1.4
321.22162	1.7
323.20044	0.8
323.23688	1.2
325.21811	1.4
335.19983	0.9
335.23843	2.3
337.21463	1.5
339.23074	1.0
345.22070	0.9
347.23663	1.3
349.25089	2.9
351.23160	1.0
353.24667	1.2
361.25174	1.4
363.26865	2.8
367.26642	0.8
375.26794	1.7
377.28592	1.9
379.26303	1.7
389.28482	1.6
391.30228	1.5
393.27979	1.1
403.30185	1.2
407.29718	0.7
411.29266	1.0
419.29465	0.9
445.31131	2.5
447.32623	1.1
459.32700	1.4
495.35126	0.8
497.37943	1.5
515.38953	12.6
533.40002	7.6
537.36066	1.3
538.36371	2.1
551.41266	4.0
571.41425	1.6
589.42523	9.0
590.43005	1.3
607.43536	100.0
608.43878	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	607.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
55.01864	4.9
55.05500	20.8
57.03426	5.2
57.07054	2.5
59.04979	1.2
65.03928	2.7
67.05495	42.8
69.03411	3.8
69.07053	19.4
71.04972	4.7
71.71651	1.6
76.44359	0.9
79.05481	33.9
81.03410	10.9
81.07043	44.0
83.04969	6.2
83.08607	11.2
85.02915	1.0
85.06534	1.6
91.05466	31.5
91.88757	0.8
93.07029	34.1
95.04953	7.6
95.08593	29.8
97.02869	1.9
97.06516	7.2
97.10155	6.7
99.04426	1.4
99.08054	1.8
103.05431	1.5
105.04494	0.9
105.07013	27.3
106.07399	1.0
107.04945	4.0
107.08577	18.2
107.09248	1.5
109.02895	2.2
109.06537	5.1
109.10143	13.7
111.04459	2.8
111.08062	3.9
115.05401	1.7
117.07009	15.1
119.08566	21.5
121.06470	1.7
121.10121	10.9
123.08076	3.3
123.11682	3.7
125.09638	4.2
127.03889	1.3
128.06218	2.9
129.06979	13.3
130.07806	1.8
131.04993	1.0
131.08545	17.9
131.09448	1.4
133.06461	1.6
133.10101	15.2
135.08044	2.8
135.11656	8.7
137.09590	2.5
139.11148	1.4
141.06964	7.8
142.07751	3.1
143.08534	17.6
145.06487	1.7
145.10097	16.3
147.08095	1.3
147.11653	10.7
149.09595	2.3
149.13257	3.6
151.11166	2.4
153.07011	3.0
154.07774	2.3
155.08522	15.1
156.09328	1.9
157.06374	0.9
157.10109	13.4
158.10800	1.3
159.08081	1.5
159.11679	11.7
161.09615	1.1
161.13213	4.4
163.11154	4.7
163.14845	1.0
165.06982	3.2
165.12723	1.2
166.07762	2.1
167.08539	9.4
168.09346	1.1
169.10100	17.1
170.10907	1.5
171.08087	1.3
171.11647	11.0
173.09621	1.0
173.13222	5.6
175.11153	1.9
175.14821	1.7
175.21968	0.8
179.08488	4.9
180.09337	2.5
181.10118	12.3
182.10892	2.3
183.07961	1.0
183.11673	16.4
184.12151	1.3
185.09653	2.2
185.13214	7.5
187.11188	2.0
187.14839	3.7
189.16383	1.0
191.08559	1.9
192.09407	1.5
193.10161	6.9
194.10869	1.9
195.11676	14.2
195.13533	2.0
196.12430	1.2
197.13251	11.5
199.11096	1.1
199.14789	5.2
201.16418	1.5
205.10098	1.9
207.11684	8.1
208.12405	1.3
209.09958	1.1
209.13220	12.1
211.14848	8.1
213.16377	2.8
215.17920	1.2
217.10254	1.0
219.11699	2.7
220.12437	2.0
221.13242	7.3
223.14819	6.6
223.16705	1.0
225.16338	4.1
227.12715	2.2
227.17946	1.2
232.12616	1.5
233.13263	3.4
234.14029	1.0
235.14717	5.9
237.16383	6.8
239.18027	4.2
241.14328	1.1
241.19611	1.7
247.14766	2.5
249.16333	3.7
251.18031	3.9
253.19707	1.4
257.18976	2.1
259.20700	2.9
261.16348	1.4
263.17844	3.0
265.19498	1.9
269.17252	1.1
273.18582	1.5
275.20132	6.8
277.19199	1.6
291.20090	0.8
295.20551	1.1
301.19235	1.6
307.20566	1.5
313.21609	1.6
319.20599	1.0
321.22198	1.6
323.19962	1.1
323.23639	1.2
325.21478	1.2
335.23648	1.6
337.25333	1.3
339.17862	1.4
345.22147	1.3
347.23627	1.4
349.24878	1.9
353.24622	1.6
363.26776	3.2
377.28302	2.2
379.26373	1.3
389.28299	1.4
391.30045	2.0
403.29770	1.1
417.31403	1.1
421.30966	1.5
447.32538	1.7
459.32590	1.2
463.31195	1.6
477.34320	1.1
497.37943	2.5
509.35657	1.2
515.38739	11.8
533.39801	9.7
538.36652	1.4
551.41119	5.9
571.41571	1.7
582.66766	1.1
589.34528	1.3
589.42657	7.2
607.34583	9.1
607.43488	100.0
608.43500	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	607.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13051	0.9
53.03934	2.5
55.01856	3.4
55.05498	18.7
57.03424	3.9
57.07055	2.4
58.78665	1.0
64.19345	0.9
65.03928	2.4
67.05491	32.4
69.03419	0.9
69.07052	14.4
69.44550	10.8
71.04977	2.1
76.32146	1.0
79.05477	24.8
81.03410	2.6
81.07042	31.7
83.04967	2.8
83.08605	10.4
85.06521	2.2
91.05462	20.8
93.07029	20.9
95.04945	4.7
95.08583	22.6
97.06509	4.5
97.10158	6.1
99.08055	1.2
103.55303	1.0
105.07018	22.0
107.04980	1.6
107.08569	17.1
109.06529	1.7
109.10126	12.2
111.08076	2.4
116.35135	1.0
117.07001	10.6
119.08549	14.5
121.10117	6.9
123.08019	2.0
123.11680	3.2
125.09618	4.2
128.06204	3.8
129.06990	10.3
131.08565	15.6
133.10092	11.9
135.07994	1.9
135.11687	4.3
139.11105	1.1
141.06966	7.3
142.07787	1.5
143.08521	14.0
143.64359	0.9
145.06403	1.2
145.10100	14.1
147.11642	9.2
149.09575	1.4
149.13271	3.1
153.07021	3.3
153.08942	1.1
155.08537	14.7
156.09357	1.2
157.10124	11.9
159.11668	9.2
161.13263	2.8
163.11092	1.4
165.06982	3.1
166.07755	2.1
167.08499	7.5
168.09364	2.5
169.10085	14.6
171.11621	9.8
173.11865	1.2
173.13196	5.2
175.14816	1.7
178.07768	1.6
179.08479	5.6
180.09294	1.4
181.10101	12.4
182.10924	2.4
183.11650	14.2
185.13214	7.2
187.13309	1.7
187.14871	2.9
189.11238	1.2
193.10115	6.6
194.10866	2.1
195.11678	11.6
196.12425	2.2
197.13213	14.1
197.14961	1.5
199.14856	5.6
201.16411	1.5
205.10123	2.7
206.10803	2.3
207.11673	9.0
208.12506	1.2
209.13220	13.4
211.14774	8.4
213.16397	2.3
219.11650	3.0
221.11443	1.1
221.13187	6.2
222.13890	1.4
223.14734	9.5
225.16411	6.9
227.18069	1.6
231.11620	1.2
232.68925	1.1
233.13245	3.1
235.14819	5.9
237.16278	5.4
239.17926	4.1
241.19592	2.4
247.14915	1.5
249.16457	3.3
251.17955	4.0
253.19537	2.2
257.19028	1.9
259.20612	1.9
263.17947	2.3
265.19666	2.5
275.20221	5.5
277.19290	1.7
279.21011	1.5
283.20764	1.2
289.19434	2.3
295.20541	1.4
315.23630	1.5
319.20547	1.9
335.23590	3.3
337.21457	1.3
337.25281	1.4
345.21741	1.3
347.23581	1.8
349.25238	2.1
363.26895	3.0
365.28491	3.8
389.28326	1.8
391.30103	1.4
419.29236	1.2
421.30975	2.3
435.32376	1.2
445.30829	1.5
497.37936	2.3
509.36121	1.7
515.38806	13.6
533.39905	9.3
538.36359	2.0
551.40942	3.5
559.68048	1.0
571.41559	2.7
589.42407	8.7
607.25867	3.5
607.43451	100.0
608.43671	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	607.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.9
53.03929	3.0
55.01851	4.0
55.05504	18.3
56.22285	0.7
57.03427	3.9
57.07055	2.3
65.03925	2.5
67.05493	40.0
69.03407	3.4
69.07059	17.7
69.41578	0.7
71.04981	3.6
71.71569	1.3
73.06515	0.8
79.05484	26.7
81.03400	9.5
81.07043	45.6
83.04974	5.3
83.08607	9.9
85.06534	2.7
91.05468	28.0
93.07025	31.3
94.07359	0.9
95.04958	5.2
95.08590	27.8
97.02877	2.2
97.06505	5.8
97.10151	5.0
98.98460	0.9
99.08079	1.8
103.05443	1.0
105.07016	24.0
107.04931	2.3
107.08576	18.9
109.02854	1.4
109.06506	2.2
109.10150	11.5
111.04425	1.0
111.08044	2.4
113.05975	0.9
115.05453	2.4
117.07000	12.4
119.08566	17.2
121.06479	1.6
121.10142	10.5
123.08060	2.7
123.11696	3.7
125.09631	2.5
125.32200	0.7
127.03889	1.2
128.06175	3.7
129.06984	12.5
130.07787	1.5
131.08543	17.3
132.64507	0.8
133.10120	14.5
135.08002	2.0
135.11665	6.1
137.09612	1.9
139.11169	1.3
141.06975	6.8
142.07758	3.2
143.08540	13.5
144.09222	1.3
145.06470	1.2
145.10107	12.6
147.07999	1.2
147.11655	9.5
149.09612	2.3
149.13203	5.8
151.11169	1.3
153.06987	2.4
154.07729	2.8
155.08528	10.6
156.09283	1.6
157.10085	14.5
159.11647	9.8
161.09610	1.3
161.13181	4.2
163.11151	1.6
163.14912	1.2
163.82852	0.8
165.07024	2.7
166.07753	1.8
167.08533	10.5
168.09314	2.9
169.10104	15.4
170.10896	1.3
171.11684	11.5
173.09575	1.0
173.13264	4.9
175.14857	1.5
177.12741	1.7
178.07773	1.2
179.08524	4.9
179.14146	1.1
180.09331	2.7
181.10098	11.6
182.10847	1.2
183.11658	15.8
185.09619	0.9
185.13277	6.3
187.11221	1.5
187.14836	3.6
189.11058	1.0
189.12686	0.9
191.08577	1.1
192.09296	2.3
193.10132	7.8
193.11852	1.2
194.10829	2.2
195.11682	14.9
195.13568	1.9
197.13239	11.2
199.11116	1.1
199.13206	0.9
199.14799	4.3
201.12796	1.1
201.16333	1.9
203.08549	1.1
205.10074	2.3
205.11963	0.8
206.10875	1.6
207.11688	5.9
208.12509	1.3
209.13220	12.8
210.13704	1.0
211.14836	6.7
213.16426	3.6
219.11668	3.3
221.13162	7.7
222.14061	1.6
223.14789	8.8
225.16316	5.3
232.12195	0.9
233.13177	2.4
234.14038	1.2
235.14758	5.9
237.16362	6.6
239.18033	3.9
247.14859	2.2
249.16376	3.1
251.17909	3.5
253.19489	3.1
257.19022	1.5
259.20590	2.0
261.16455	1.6
263.17902	2.2
265.19592	1.5
269.17590	1.4
273.18640	1.5
275.20154	5.2
297.22110	0.9
305.22427	1.2
307.53873	0.9
309.22070	1.0
311.19955	1.3
311.23581	0.9
315.23193	2.0
321.22171	1.6
333.22107	1.6
337.25436	1.4
339.18030	2.0
339.23196	1.0
341.24625	0.9
347.23624	1.9
349.00922	0.8
349.25162	2.3
361.25284	1.7
363.26733	2.0
365.24435	1.2
367.26089	1.4
375.26651	1.0
377.28339	2.4
381.27731	1.1
389.28375	1.3
391.30045	1.7
393.28015	1.3
395.20706	1.6
403.30170	1.2
407.29367	1.1
417.27457	0.9
421.31070	2.1
435.32819	1.1
437.25241	1.0
445.30402	2.6
447.32626	1.9
459.32428	1.5
463.30991	1.8
464.31851	1.0
465.33737	1.3
481.32507	0.9
497.37961	2.5
509.36197	2.6
515.38806	11.9
533.39813	8.5
537.35840	1.5
538.36499	1.8
551.41138	4.8
571.41504	1.1
589.42383	7.2
607.34589	10.2
607.43457	100.0
608.34650	2.0
608.43872	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	607.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03700	1.0
53.03922	5.1
55.01869	5.1
55.05504	25.5
57.03432	5.4
57.07055	2.4
59.04981	1.5
65.03939	3.5
67.05496	50.4
69.03414	4.7
69.07056	20.2
69.63187	2.2
69.63585	8.1
71.04974	4.2
77.12066	0.9
79.05482	38.1
81.03410	20.4
81.07047	57.9
83.04941	5.9
83.08617	13.8
85.02899	2.5
85.06516	2.2
91.05467	35.3
91.44515	1.1
93.07034	39.4
95.04955	10.4
95.08591	33.7
95.09196	1.8
97.02882	3.8
97.06536	8.2
97.10145	4.6
98.21480	1.7
99.04455	1.6
99.08061	1.6
103.05473	2.2
105.07016	31.2
107.04940	5.5
107.08584	22.7
109.02876	4.2
109.06479	5.0
109.10149	14.0
109.96236	0.9
111.04424	4.2
111.08064	3.9
115.05453	1.7
117.07010	17.9
119.08566	23.5
121.06490	4.7
121.10123	14.0
123.08070	3.0
123.11716	4.5
125.09594	2.6
127.03900	3.2
127.07569	1.2
128.06200	2.5
129.05504	1.3
129.06984	13.1
131.08560	19.8
131.09476	2.0
133.06566	1.6
133.10115	18.3
135.08049	3.2
135.11659	8.0
137.09647	2.7
141.06955	6.7
142.07794	2.7
143.08554	13.6
145.06438	2.0
145.10103	17.7
147.08037	3.1
147.11639	12.7
149.09647	2.1
149.13231	9.1
149.26639	1.2
151.11200	3.0
153.06960	1.7
154.07759	1.3
155.08528	11.9
157.10103	14.2
159.08012	2.4
159.11685	13.4
161.09586	1.3
161.13243	4.9
163.11177	3.7
165.06972	3.4
165.12660	2.4
166.07773	1.8
167.08562	9.0
168.09352	1.9
169.10110	17.1
171.08070	1.2
171.11662	12.1
173.09578	1.7
173.11902	1.6
173.13205	6.2
175.11230	1.4
175.14787	2.1
177.12752	3.5
179.08574	4.1
179.14273	1.8
180.09311	2.4
181.10098	13.1
182.10841	2.0
183.11687	11.8
185.09653	1.6
185.13269	9.0
187.14798	3.9
193.10135	6.1
194.10881	1.8
195.11696	12.5
195.13786	4.2
197.13240	10.7
199.11151	1.1
199.14838	4.7
201.12758	1.2
201.16417	1.9
204.44165	1.1
205.10075	1.8
207.11714	8.2
208.12442	1.8
209.13272	9.8
211.14938	6.7
213.12672	1.5
213.14644	1.8
213.16435	3.0
215.18001	1.7
219.11717	2.2
221.13277	7.4
223.14743	7.4
225.16353	4.3
233.13239	2.5
233.15372	1.2
235.14922	6.1
235.16835	1.4
236.15511	1.3
237.16394	3.6
239.17998	2.9
241.19601	2.2
247.14676	1.2
249.16426	2.8
251.17894	3.0
253.19748	1.3
257.19000	2.0
259.20544	3.4
263.17960	2.2
265.19485	1.7
267.15839	2.1
269.17505	3.4
275.17575	1.0
275.20148	7.5
313.21582	1.3
315.23175	1.7
321.17072	1.4
321.21964	1.3
323.23682	1.5
335.23782	2.2
339.18008	3.7
363.26926	4.2
375.26517	1.6
377.28787	1.8
389.40692	1.2
391.30093	1.6
395.20535	2.6
407.28973	1.3
421.31155	2.3
445.29926	2.8
459.32626	1.2
463.31097	2.4
497.38364	1.4
515.38837	10.8
516.39246	1.4
533.39746	8.9
537.35553	1.7
538.36041	1.5
551.40820	6.1
571.41632	1.5
589.34180	1.6
589.42664	10.0
607.34540	19.4
607.43494	100.0
608.35486	2.0
608.43872	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	609.1439
Annotation	Luteolin 7-glucuronide-4'-rhamnoside
Peak:m/z	Relative Intensity
53.24802	0.1
57.03410	0.3
62.46083	0.1
67.01838	0.6
68.99780	0.6
70.06339	0.7
71.04984	1.3
85.02888	2.1
85.92653	0.1
88.24921	0.2
98.21402	0.1
104.48421	0.1
110.40655	0.1
111.00911	0.2
111.04361	0.2
119.04875	0.2
129.01804	0.3
129.05450	0.8
135.04395	2.0
137.02345	0.6
141.01793	0.2
147.06491	0.2
153.01802	5.4
153.03058	0.3
154.02130	0.1
161.02301	0.6
171.02846	0.6
179.03354	0.2
241.04912	0.6
245.04301	0.2
263.05466	0.1
269.04358	0.4
271.05963	8.5
272.06155	0.3
287.05444	100.0
288.05780	3.3
329.06488	0.2
370.43658	0.2
447.09122	0.3
463.08511	1.3
609.14087	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01852	1.1
57.03423	1.0
57.06555	0.3
59.06107	0.3
61.02922	1.3
67.05484	0.9
68.99770	0.9
69.03424	5.9
69.07046	0.7
70.43520	1.0
70.43913	0.4
71.04971	0.8
73.02901	1.3
79.05493	0.5
81.03409	8.0
81.07034	1.0
83.01324	0.5
83.04957	0.4
85.02896	11.2
85.06563	0.3
87.00816	4.0
87.04445	0.4
91.03934	0.8
91.05463	1.0
93.07023	0.9
95.04954	0.8
95.08584	0.7
97.02883	4.0
97.06500	0.3
99.04454	2.8
101.07156	0.4
105.01852	2.1
105.07043	0.6
107.04953	0.3
107.08564	0.8
109.02859	6.1
109.03535	0.5
109.10156	0.2
111.04456	0.5
117.01830	0.9
119.04925	0.8
119.08591	0.7
121.02840	0.6
121.10091	0.6
123.04436	0.3
123.08041	0.3
125.02329	0.3
125.05971	0.5
125.09605	0.3
127.03902	7.1
129.01813	0.7
133.10127	0.4
139.03926	0.5
140.10571	0.3
145.04944	2.1
145.10155	0.5
147.02919	0.4
147.04395	3.0
149.09698	0.3
150.03101	0.6
151.03877	1.1
153.05446	5.6
154.06119	0.4
159.02869	3.5
163.03880	0.7
167.03387	6.0
167.07043	0.4
177.05479	0.7
178.02565	0.3
179.03337	1.8
180.04051	0.3
181.04955	1.6
191.73795	0.3
192.04062	0.3
197.04422	0.7
199.07599	0.3
207.02846	0.3
207.06537	0.5
215.06947	0.3
216.86887	0.3
227.06950	0.4
229.05063	0.4
230.05869	0.6
231.04977	0.7
233.04552	0.3
243.06575	1.8
244.07260	0.9
245.08167	0.5
255.06435	0.7
257.04404	1.4
258.05219	2.1
259.06073	0.3
269.04630	0.7
271.05936	1.7
272.06787	5.6
273.07510	1.7
275.05389	0.4
283.05930	0.9
285.07483	0.3
286.04657	1.8
286.07458	0.4
287.05396	1.1
297.03894	0.7
298.04709	0.4
299.05453	1.3
300.06204	4.8
301.07037	7.9
302.07407	0.3
303.04938	1.0
305.10172	1.8
314.04117	0.4
315.04855	0.3
316.05469	0.5
317.06494	3.2
318.06992	0.5
327.04825	0.8
328.05682	1.2
329.06531	2.3
330.07050	0.3
331.04214	0.5
332.05002	0.3
332.08893	0.6
345.06030	6.2
346.06805	3.4
361.09128	100.0
362.09399	2.8
411.28796	0.5
429.29858	0.9
447.31079	0.4
472.10748	0.3
505.37250	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	609.1592
Annotation	Hispidulin 7-(6''-E-p-Coumaroylglucoside)
Peak:m/z	Relative Intensity
57.90244	0.2
65.03929	0.4
67.05488	0.4
68.99818	0.2
69.03419	0.3
69.07039	0.3
71.04972	0.2
71.08871	0.4
75.96995	0.2
79.05473	0.5
81.03412	1.0
81.07041	0.5
85.02879	0.4
91.05467	2.2
93.07034	0.7
95.08612	0.9
97.02864	0.3
97.06553	0.2
99.04429	0.2
99.45452	0.2
105.07030	0.4
107.08570	0.3
109.02870	0.6
109.10160	0.4
111.08002	0.2
115.05447	0.2
119.04928	5.0
119.08542	0.3
121.06547	0.3
121.34196	0.2
122.09666	0.3
123.08040	0.3
127.03873	0.3
128.10687	0.4
133.10043	0.2
140.10695	1.3
145.10072	0.2
146.97563	0.2
147.04382	28.4
148.04741	0.4
149.05910	0.6
151.03893	0.5
153.01834	2.2
163.11072	0.2
165.05473	0.6
171.02846	1.2
175.03874	0.8
201.05617	0.3
209.23164	0.2
229.04890	0.3
255.06538	0.4
258.05206	12.9
259.05588	0.3
262.31638	0.2
271.05942	0.3
286.04672	30.7
287.05081	0.9
291.08575	1.6
301.07010	100.0
302.07376	3.2
309.09613	0.7
359.42474	0.2
410.32513	0.9
411.33127	0.4
499.70337	0.2
585.57526	0.2
609.16003	0.4
638.71942	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	609.1807
Annotation	Diosmin 
Peak:m/z	Relative Intensity
57.03411	0.2
69.46928	0.3
69.47340	0.9
71.04982	0.7
73.12100	0.1
85.02895	1.2
87.02368	0.1
111.04419	0.1
129.05438	0.3
151.03815	0.1
153.01793	0.7
189.61035	0.1
192.41664	0.1
200.15817	0.1
229.04861	0.4
257.04361	0.3
258.05206	14.1
259.05579	0.3
286.04681	33.1
287.05240	0.8
301.07019	100.0
302.07425	1.6
446.70227	0.1
463.12418	0.3
528.94165	0.1
632.07928	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	609.2695
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
52.44970	0.3
53.03939	0.6
55.01863	0.6
55.05502	2.8
57.03439	0.6
57.07066	0.8
58.91129	0.3
67.05492	7.5
69.07059	2.9
71.04950	0.3
71.08596	0.7
76.50774	0.3
79.05482	5.9
81.07039	6.6
83.04935	0.5
83.08601	1.6
85.06564	0.3
88.68610	0.3
89.92667	0.3
91.05456	5.0
93.07027	5.4
95.04960	1.1
95.08585	3.9
97.06512	1.3
97.10162	0.9
99.08083	0.4
105.07012	5.2
107.04931	0.7
107.08569	2.8
107.21472	0.3
109.06538	0.7
109.10114	2.4
111.08035	0.5
115.05434	0.4
117.07001	2.4
119.08570	3.9
121.10118	2.3
123.11774	0.3
129.06964	1.6
131.08536	3.4
133.10127	3.6
135.08046	0.3
135.11656	1.7
137.09590	0.4
141.06981	0.6
142.07814	0.3
143.08542	2.2
145.10114	3.8
147.11632	2.3
149.09608	0.4
149.13225	0.9
151.11198	0.4
155.08565	1.3
157.10056	1.6
159.11636	2.5
161.13252	0.8
163.11205	0.5
167.08566	0.6
169.10115	1.4
170.10628	0.3
171.11659	1.8
173.13210	1.6
179.14314	0.5
180.09297	0.3
181.10060	0.7
183.11586	2.1
185.13257	1.3
187.14798	0.5
190.51915	0.4
193.10254	0.3
195.11696	0.9
197.13295	0.8
199.14873	0.6
209.13239	0.7
211.14767	0.6
223.14841	0.5
239.17897	0.8
257.19000	1.1
261.22064	0.4
275.20068	3.1
277.21512	0.4
293.21347	0.3
335.25952	0.5
369.27597	0.4
389.17944	0.5
390.18475	0.5
391.19067	0.7
402.18320	0.4
405.20752	1.2
415.19125	1.4
417.20908	0.7
417.84329	0.4
418.22012	0.5
419.18057	0.5
419.22742	0.8
420.23495	0.5
428.20319	0.4
429.20639	3.1
430.21619	0.8
431.18701	1.4
433.19296	0.6
433.23920	1.9
435.21582	0.6
443.22260	1.3
444.23178	1.4
445.23929	1.3
447.22989	1.8
449.23215	0.9
457.19928	0.7
459.21246	4.7
460.22772	3.3
461.19220	2.1
461.23706	2.5
462.20563	1.3
463.21158	0.7
466.39297	0.4
472.22690	1.9
473.23117	1.3
474.24051	0.9
475.21078	1.4
475.26523	0.5
476.21799	2.7
477.22821	2.1
485.23364	1.1
487.24835	4.0
489.22992	1.9
490.23959	0.8
492.25153	0.5
493.26202	0.5
503.24759	2.4
507.23886	0.6
511.37634	0.8
517.22546	0.4
517.40399	1.1
519.23804	2.4
521.21515	2.4
531.23840	21.3
532.24463	1.3
535.23309	0.5
549.24835	12.1
563.26495	1.0
581.27423	0.6
591.25928	3.1
591.42749	0.7
608.43799	2.1
609.26971	100.0
609.44788	11.0
610.27393	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2694
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
70.13548	1.1
70.13944	1.0
75.30566	0.5
103.06897	0.4
116.04567	0.5
126.80358	0.4
132.08101	0.6
148.39421	0.5
178.24910	0.4
201.62967	0.5
214.03249	0.5
224.12901	0.6
237.13948	0.6
361.14929	0.5
377.17633	0.7
378.18500	0.6
389.18521	1.2
390.18530	1.4
391.19174	2.9
392.19907	1.3
393.20929	0.5
400.16974	0.8
401.17599	1.1
402.18631	0.6
404.20496	0.9
405.20792	2.9
406.21368	1.8
407.22269	4.3
413.17697	0.5
414.18588	0.8
415.19135	2.2
417.21140	1.1
418.17328	0.6
419.22406	1.4
420.23010	0.7
421.23819	4.7
422.24463	0.7
427.19080	0.8
429.21011	3.1
430.21802	1.4
431.18530	0.6
432.19336	1.0
433.24548	1.0
435.21472	1.0
442.21307	0.6
443.22647	0.9
444.23038	2.0
445.20386	0.7
446.21036	0.7
447.17725	1.6
447.22757	1.0
449.23462	0.9
451.20822	0.8
457.24677	2.8
459.21646	2.6
460.22833	1.5
461.19098	6.2
462.20529	1.9
463.20834	1.2
472.22516	1.9
474.20468	0.8
475.20956	7.6
476.21768	6.9
477.22449	4.4
478.23380	1.0
479.24377	0.8
485.23520	8.9
486.20056	3.4
487.25131	1.4
488.22134	1.1
489.22751	5.1
493.25098	0.5
494.26654	0.7
497.23315	0.7
499.21478	2.7
500.22028	1.6
501.22641	0.6
503.24609	6.1
504.25586	0.8
513.22607	1.3
515.24390	8.0
517.22552	1.4
518.23059	0.8
521.26135	3.6
531.23865	15.8
535.23450	1.0
541.22119	0.6
549.25012	2.2
550.25525	4.0
559.23242	7.1
577.24426	0.9
591.25928	34.0
592.26135	1.3
609.26971	100.0
610.27380	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	609.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81456	0.3
67.05482	1.1
69.07067	0.4
69.64132	0.9
69.64545	1.6
79.05492	0.6
81.07044	0.8
83.08628	0.4
84.07850	0.3
89.81278	0.3
91.05469	0.4
93.07033	0.9
95.08606	0.7
98.20693	0.6
105.07007	0.5
105.57751	0.3
107.08568	0.5
109.10148	0.3
116.33677	0.3
117.06985	0.3
119.08531	0.4
131.08524	0.6
132.08128	0.3
133.10063	0.4
145.10130	0.5
157.10170	0.4
159.11662	0.3
171.11629	0.3
211.12328	0.3
224.13037	0.4
229.36044	0.3
237.13843	0.4
238.14557	0.4
239.15364	0.4
249.13673	0.3
275.20123	0.3
326.16522	0.4
375.16672	0.6
376.17090	0.9
377.17648	1.2
388.17770	0.5
389.18250	1.4
390.18665	1.4
391.19092	2.8
392.19934	1.3
393.21045	0.7
400.17313	0.3
401.17813	0.8
402.18860	0.5
403.19531	1.2
404.20346	1.3
405.16208	0.5
405.21036	3.9
406.21573	2.2
407.22238	3.4
414.18469	1.1
415.19232	1.9
416.20456	0.6
417.21335	0.5
418.17319	0.5
418.22156	0.4
419.18625	1.9
419.23013	1.1
420.23141	1.0
421.23911	4.9
422.24585	0.7
428.19955	0.5
429.20831	2.3
430.22025	1.2
431.18594	1.4
432.19513	1.2
433.20102	2.2
433.24744	0.8
435.21353	0.5
442.21500	0.7
443.22351	0.9
444.23395	1.5
445.20389	1.5
446.21243	0.8
447.17358	3.0
448.18619	0.6
449.23309	1.0
451.21201	0.5
452.22131	1.1
457.24884	1.9
458.25430	0.6
459.22183	1.9
460.23444	2.0
461.19144	6.8
462.20218	2.4
463.20575	1.6
470.21149	0.5
471.17938	0.6
472.22568	1.0
473.19363	0.6
474.20712	1.0
475.21085	9.6
476.21790	8.0
477.22314	6.2
478.23877	0.6
479.25122	0.4
484.19009	0.5
485.23483	7.9
486.19839	2.3
487.21173	1.4
487.25729	0.6
488.21741	1.2
489.22845	6.9
490.19284	0.5
493.22372	1.0
494.26608	0.9
497.23257	1.0
499.21179	4.5
500.21863	1.9
501.22702	0.4
502.24060	0.4
503.24561	10.4
504.22101	1.2
505.22519	0.9
507.23990	1.2
513.23065	1.2
515.24463	7.6
517.22308	2.7
518.23029	0.8
521.25995	3.3
531.23877	12.4
532.24042	0.5
533.25409	0.5
535.23749	1.6
541.22363	0.7
549.24774	2.6
550.25702	4.4
551.25024	0.4
559.23364	6.3
560.23846	0.5
563.26239	2.3
577.24353	2.1
591.25946	13.3
592.26349	0.5
609.26996	100.0
610.27448	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2699
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.01853	0.6
55.05504	4.5
57.03423	1.4
57.07062	0.7
58.13691	0.6
58.23796	0.5
63.38758	0.5
65.03931	1.1
67.05496	10.8
69.07053	4.3
71.04346	1.2
71.05004	0.7
71.08620	2.7
79.05481	8.5
81.03397	0.7
81.07043	11.5
83.04981	1.2
83.08604	2.2
85.06531	0.5
91.05460	8.5
93.07036	9.8
95.04945	2.4
95.08591	7.3
97.06529	1.6
97.10172	0.9
99.08088	1.5
103.05506	0.7
105.07011	8.9
107.04937	1.3
107.08578	5.0
109.10151	2.6
117.07027	2.8
119.08561	6.0
121.10138	4.4
123.08024	0.6
123.11707	0.7
129.07010	2.3
131.08527	5.2
133.10106	4.0
135.11662	2.7
141.07013	0.8
143.08536	3.2
145.10097	5.0
147.11659	3.3
147.24474	0.6
149.13316	1.6
151.11214	1.8
155.08539	1.6
157.10120	2.1
159.11702	3.3
161.13280	1.4
163.11139	1.2
169.10139	1.9
171.11652	1.7
173.13286	0.8
175.14905	1.0
179.14284	4.1
181.10121	1.5
183.11740	1.9
185.13293	1.9
187.14807	1.0
195.11729	1.7
197.13286	1.7
199.14774	0.9
207.11748	0.7
209.13310	1.1
213.16423	0.8
225.16496	0.6
241.19609	0.9
257.19110	1.7
259.20795	1.0
275.20029	2.8
277.21579	4.0
315.23184	1.4
351.25656	0.7
391.19501	0.9
405.21182	0.8
408.66592	0.6
414.18161	0.8
415.19370	1.4
416.20163	1.3
419.18494	1.1
421.19901	1.0
422.30557	0.6
429.20840	2.5
430.21924	1.0
431.22714	0.9
432.19370	0.7
433.24106	2.0
435.21759	1.2
437.34360	0.6
443.22452	1.6
444.23221	2.4
445.24268	1.3
447.22635	2.7
449.23642	1.0
456.19656	0.7
459.21109	2.8
460.22702	2.9
461.24384	3.1
462.24963	0.8
463.21149	0.9
472.22809	1.1
473.23663	0.9
475.21167	1.4
476.22092	1.6
477.22580	1.4
485.08450	0.7
485.23178	1.3
487.24734	3.8
489.22867	1.2
490.23788	0.8
492.25635	1.0
503.24069	1.8
505.26129	0.9
507.23557	1.8
517.22876	1.3
517.40234	1.2
519.23645	2.8
521.22101	2.5
531.23828	13.3
531.31152	1.1
532.24469	1.6
549.24854	10.8
563.26587	0.8
591.26215	2.8
608.43762	1.0
609.27020	100.0
609.43799	14.7
610.27441	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	609.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57491	1.6
53.03933	10.7
53.06290	1.9
55.01859	7.3
55.05503	29.0
57.03418	13.3
57.07053	2.0
61.02914	2.7
65.03935	4.3
65.14710	1.7
67.05493	63.4
69.03412	19.3
69.07060	14.5
69.71132	1.9
69.71463	14.4
71.01335	4.5
71.04971	9.5
73.02908	2.2
79.05481	60.8
81.03405	100.0
81.07044	41.5
83.04962	22.2
83.08606	14.5
85.02895	20.9
85.06502	2.3
91.05452	39.2
93.07030	54.3
95.04955	29.5
95.08598	15.4
97.02875	20.7
97.06496	12.6
97.10168	11.1
99.04431	7.2
99.08117	3.2
105.07016	26.3
105.66185	2.2
107.04944	11.6
107.08575	28.9
107.44619	1.8
109.02866	16.6
109.06499	6.7
109.10143	11.5
111.04422	17.1
111.07405	1.7
111.08052	9.3
115.05444	1.8
116.33894	1.7
117.06995	8.8
119.04909	1.9
119.08543	22.4
121.06485	6.1
121.10123	16.9
123.04427	3.0
123.08077	3.3
123.11723	3.3
125.09644	4.3
127.03894	12.2
128.06227	2.1
129.05496	2.2
129.06985	10.6
131.04929	2.0
131.08548	14.8
133.06442	4.7
133.10083	13.4
135.08073	3.7
135.11676	36.3
137.09506	3.5
141.06955	2.2
142.07729	3.1
143.08530	4.5
145.06462	4.3
145.10143	12.8
147.08011	4.5
147.11668	15.6
148.12358	2.0
149.06007	2.5
149.09634	6.0
153.12743	6.5
155.08473	3.0
157.06505	2.1
157.10133	10.0
158.90312	1.9
159.11649	2.6
160.52077	2.0
163.11150	12.1
165.12724	6.0
167.08537	1.8
171.11638	3.2
173.13219	2.3
175.11183	7.9
180.09981	1.9
181.12218	16.8
189.11131	2.1
191.10646	3.6
193.12219	36.1
199.13235	2.7
207.13681	2.1
209.11737	2.4
211.11238	3.3
211.13257	54.9
219.13742	1.8
221.15474	2.4
221.96646	1.8
227.12776	6.8
243.13811	2.6
247.13216	2.1
253.14226	2.7
255.15927	14.3
267.15915	8.2
285.17029	5.6
325.16599	3.7
329.20807	2.1
337.16537	4.1
355.17584	8.8
355.22617	2.4
373.23654	2.8
381.19226	5.5
411.20120	7.2
429.26367	2.0
438.29590	2.0
447.27365	19.6
448.27524	1.9
465.28268	17.3
466.13525	2.0
591.31555	6.6
609.32605	81.1
610.32983	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.01860	1.5
55.05504	12.7
57.03421	3.2
57.07058	1.9
65.03925	1.0
67.05495	21.7
69.03416	0.6
69.07059	12.1
71.04996	1.4
71.08614	0.8
71.71758	0.9
79.05478	14.0
81.03442	0.8
81.07043	21.8
83.04972	1.3
83.08604	6.0
85.06547	1.5
91.05460	15.6
92.05684	0.6
93.07030	15.2
95.04943	2.7
95.08591	18.0
97.06525	2.4
97.10161	3.1
99.08087	1.1
103.05444	0.6
105.07016	14.1
105.07722	0.9
107.04961	0.8
107.08578	10.5
109.06519	0.8
109.10142	6.6
111.08055	1.6
115.05436	0.9
117.07003	8.0
119.08562	12.2
121.06586	0.9
121.10129	7.6
123.08013	0.6
123.11698	2.3
125.09636	1.5
128.06229	2.1
129.06985	9.7
130.07751	0.6
131.08548	11.7
133.10101	10.1
135.11670	4.7
137.09598	0.7
137.13229	0.9
138.50880	0.6
139.11156	0.8
141.06966	2.9
142.07776	2.8
143.08530	11.9
145.10098	11.5
147.11665	6.2
148.10748	0.6
149.09628	1.3
149.13255	1.7
153.06958	1.1
155.08536	7.6
156.09314	1.6
157.10106	11.0
159.11659	8.9
161.13245	3.0
163.11179	1.1
163.14798	0.8
165.06995	1.2
167.08557	4.8
169.10110	11.8
170.10922	0.9
171.11667	9.4
173.13255	4.9
174.91116	0.6
175.14833	2.6
177.16394	0.5
179.08585	1.7
179.14380	0.7
179.42021	0.6
180.09344	0.6
181.10110	6.4
182.10870	1.5
183.11656	11.1
183.13115	0.8
184.12265	0.6
185.13242	7.7
187.14789	3.3
189.16422	1.3
193.10127	2.5
194.10995	1.0
195.11671	7.0
196.12473	0.9
197.13251	10.1
199.14828	4.3
201.16396	1.5
207.11670	2.9
209.13237	7.4
211.14816	5.8
211.16689	0.8
213.16347	3.6
215.17999	1.1
219.11696	1.1
221.13235	2.2
223.14775	4.3
225.16342	4.3
227.18100	2.7
229.19421	0.7
233.13313	1.4
235.14822	2.0
237.16357	3.6
239.17952	3.1
241.19650	1.3
245.19157	0.6
249.16286	1.0
251.18013	2.2
253.19585	1.6
255.21336	0.9
257.19067	1.0
259.20706	0.7
263.18021	1.1
265.19516	1.3
267.20935	1.1
269.19101	0.8
273.18588	0.6
275.20197	3.7
277.21945	1.0
283.20627	0.7
285.18457	0.6
285.21786	0.7
319.20560	0.6
321.22217	1.2
323.23764	1.6
335.23709	1.1
337.25293	1.8
351.26978	1.2
355.26251	0.9
363.26764	1.3
365.28281	1.0
377.28305	0.6
379.30212	1.0
381.27841	0.8
389.17624	1.5
389.28610	0.6
391.18939	1.2
391.30072	1.2
393.31924	0.9
395.29480	0.8
403.19162	1.9
404.20200	0.9
405.20895	2.6
406.21371	0.7
407.22369	1.6
407.28827	0.8
415.19373	1.1
416.19855	1.1
417.16418	0.9
417.21085	1.8
419.23010	2.6
420.23322	1.5
429.21210	0.7
430.17566	1.4
431.17761	3.3
432.19348	1.9
433.20114	6.8
434.20782	1.7
435.32315	0.6
443.18631	2.5
444.19449	2.1
445.20026	3.6
446.20947	3.4
447.21872	5.6
447.32748	1.4
448.22391	2.0
449.34180	0.8
458.20889	5.5
459.21625	6.5
460.22775	4.4
461.22891	0.8
461.34320	0.6
463.20718	3.1
473.23303	0.9
475.20728	1.4
476.21774	1.2
477.22635	1.4
489.19308	1.1
490.23953	0.7
491.20459	0.8
499.39474	2.2
507.34692	0.8
511.37814	0.8
517.22943	0.9
517.40369	12.0
518.22937	2.8
519.23737	9.1
520.24304	1.5
521.22095	2.2
521.36212	0.8
531.24158	1.8
532.24622	0.9
535.41406	5.4
539.37524	1.5
549.25061	3.3
550.25092	0.8
555.41589	1.1
573.43048	1.2
591.25995	10.8
591.43884	12.0
592.26141	1.9
609.27069	100.0
609.44904	78.6
610.27319	18.8
610.44946	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	609.4501
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
51.10500	0.9
53.03928	1.0
55.01851	1.5
55.05506	9.9
57.03424	3.0
57.07047	1.8
67.05492	18.8
69.07056	11.5
70.30171	4.6
71.04988	1.0
79.05483	11.4
81.06597	1.7
81.07047	20.1
83.04972	1.6
83.08602	5.1
85.06536	0.8
91.05459	10.3
93.07033	14.4
95.08590	16.2
97.06545	1.8
97.10166	3.2
98.20771	1.2
105.07003	12.5
107.08579	9.0
109.10133	8.0
114.82268	0.9
115.05432	1.4
117.06984	7.0
119.08559	9.2
121.10103	7.1
123.11687	2.5
128.06189	2.5
129.06963	7.0
129.93816	0.9
131.08536	9.1
133.10124	9.6
135.11694	3.8
137.13306	1.0
141.07004	3.4
142.07774	3.8
143.08557	11.7
145.10100	12.0
147.11665	5.8
149.13249	1.0
153.07042	1.3
154.07777	1.4
155.08511	10.2
156.09348	1.1
157.10074	10.5
159.11653	8.9
161.13255	3.1
163.14815	1.1
165.06978	1.2
167.08554	6.6
168.09396	2.1
169.10098	13.3
171.11685	9.7
173.13217	5.4
175.14819	1.9
179.08510	2.2
181.10109	7.5
182.10852	1.0
183.11627	12.8
185.13240	7.8
187.14795	3.6
193.10094	1.9
195.11684	7.9
197.13184	8.5
199.14822	5.9
201.16362	2.0
207.11688	2.6
209.13225	6.8
211.14854	6.7
213.16412	2.3
215.17944	1.1
219.11823	1.1
221.13258	2.1
223.14764	4.7
225.16425	4.6
227.18013	2.8
235.14888	1.8
237.16364	4.3
239.18007	3.1
249.16299	1.6
251.17943	1.8
253.19420	1.6
255.21179	0.9
263.18054	1.5
265.19379	1.6
275.20053	1.2
277.19333	1.1
281.22733	1.0
283.20560	1.2
309.21884	0.9
311.23666	1.2
313.21725	1.0
321.22260	1.4
323.23648	1.4
327.23010	1.1
335.24088	1.0
337.25024	1.2
341.24637	1.2
349.25436	1.4
351.26904	1.3
365.28525	2.0
367.25909	1.5
377.28372	2.0
379.29935	1.1
405.31891	1.2
443.32800	1.0
447.32361	1.2
499.39090	1.3
513.35242	1.0
517.40387	15.1
518.40674	1.5
525.36176	1.2
535.41528	7.4
551.01941	1.1
553.42657	1.9
573.42792	1.8
579.91394	1.0
591.44025	12.0
609.45026	100.0
610.45233	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	609.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01854	1.4
55.05503	13.7
57.03426	3.9
57.07063	2.6
57.27492	0.5
62.48646	0.6
65.03928	1.1
67.05495	22.1
69.07061	12.8
70.12270	2.1
70.12667	1.3
71.05014	1.1
79.05479	16.2
81.07046	20.8
83.04977	1.2
83.08619	7.5
85.06534	0.7
86.44657	0.7
91.05466	14.4
93.07031	17.8
95.04983	2.0
95.08595	21.4
97.06523	2.0
97.10144	3.6
103.05480	1.1
105.04445	0.6
105.07014	13.2
107.08575	9.5
109.06490	0.8
109.10151	8.2
109.43154	0.6
111.08039	1.4
115.05458	1.6
117.07001	9.1
119.08563	13.6
121.10136	8.0
123.08056	1.3
123.11713	2.8
125.09646	1.5
128.06209	3.9
129.06987	11.6
130.07753	0.9
131.08556	13.1
133.10112	8.8
133.11014	0.9
135.11665	4.3
137.13234	1.8
141.06996	5.0
142.07773	3.3
143.08557	13.5
144.09282	0.7
145.10097	12.8
145.11189	0.8
147.11674	5.8
149.09547	0.6
149.13191	3.1
153.06992	2.2
154.07785	2.4
155.08543	12.9
156.09367	2.1
157.10112	14.6
159.11670	9.0
161.13222	3.6
163.14804	1.1
165.07033	2.3
166.07785	1.5
167.08572	6.1
168.09340	2.3
169.10098	15.7
170.10864	0.9
171.11664	11.9
173.13243	5.7
175.11159	0.6
175.14827	1.8
179.08568	2.9
180.09334	1.3
181.10100	10.1
182.10895	1.8
183.11676	18.1
183.13326	0.9
185.13222	9.0
187.14786	4.0
189.16411	1.3
193.10059	3.4
194.10898	1.1
195.11670	10.1
196.12424	1.8
197.13257	11.9
199.13165	1.1
199.14812	5.9
201.16422	1.9
205.10182	1.2
207.11646	3.7
208.12485	0.8
209.13214	9.0
211.14771	8.8
213.16437	3.9
221.13242	4.5
223.14787	6.1
225.16350	7.0
227.18028	2.8
233.13222	1.5
235.14827	2.7
237.16351	5.1
239.17949	3.8
241.19620	1.8
243.21082	0.7
247.14574	1.1
249.16377	2.0
251.17926	3.8
253.19576	1.7
255.21107	1.2
261.16251	0.7
263.17764	1.3
265.19534	2.1
267.21133	1.6
277.19571	1.5
279.21115	1.3
281.22797	0.8
291.20923	1.4
293.19189	0.9
293.22421	0.8
295.20456	0.9
297.22073	0.9
299.20020	1.2
309.18304	0.9
309.21802	0.9
311.23624	1.0
321.22186	1.1
323.23694	1.6
325.21695	0.8
325.25247	0.8
335.23639	1.6
337.25220	2.2
347.23727	0.9
349.25095	0.7
351.26880	2.3
363.26682	1.5
365.28354	2.3
365.32587	0.7
367.26471	1.0
375.26733	1.0
377.28650	1.4
389.28302	0.8
391.29886	1.8
393.31699	1.5
395.29736	0.9
403.29623	0.7
405.31824	1.0
407.29178	0.9
409.31418	0.9
429.31461	0.8
443.33145	0.9
447.32449	1.9
449.34344	1.0
461.34131	0.8
475.35617	1.1
499.39133	2.5
511.34210	0.9
517.40356	15.1
521.35956	1.2
525.35620	0.9
535.41425	6.6
536.42114	0.9
539.37634	1.3
553.42865	1.5
567.40063	0.9
573.42896	1.6
591.43970	17.5
592.44434	0.8
609.45038	100.0
610.45490	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	609.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01858	2.1
55.05505	14.3
57.03433	3.8
57.07062	2.1
62.07841	0.7
62.82853	0.6
65.03933	1.5
67.05134	1.7
67.05494	29.7
69.07058	15.1
69.36255	3.4
69.36678	4.7
71.04977	1.4
71.08613	1.4
79.05483	19.5
81.07048	32.2
83.04967	1.7
83.08609	7.6
85.06548	1.2
91.05467	19.1
92.60442	0.7
93.07028	19.8
95.04960	4.0
95.08592	24.8
97.06525	3.2
97.10142	3.8
99.08109	0.8
103.05422	0.7
105.07015	19.3
106.16444	0.7
107.04974	1.4
107.08582	14.0
108.67587	0.6
109.06489	1.2
109.10143	12.3
111.08084	1.6
113.09715	0.7
115.05461	1.7
117.07007	10.5
119.08568	18.1
121.10140	9.9
123.08085	1.2
123.11709	3.2
125.09612	1.4
128.06163	3.9
129.06990	12.8
130.07849	0.7
131.08546	17.3
133.10123	12.4
135.08064	0.7
135.11659	5.0
137.09595	1.2
137.13185	0.9
139.11139	1.0
141.06963	4.7
142.07764	2.5
143.08537	13.7
145.10106	16.4
147.11673	8.6
149.09587	1.4
149.13251	3.8
151.11205	0.9
151.14839	0.9
153.06978	1.2
154.07788	1.3
155.08530	12.9
156.09296	2.2
157.10104	14.5
159.11681	11.9
161.13220	5.3
163.14795	1.2
165.07025	1.7
165.12711	0.8
167.08577	6.4
168.09352	2.3
169.10109	16.5
171.11673	12.8
173.13240	8.6
175.14819	2.5
179.08560	2.7
179.14267	1.1
180.09377	0.8
181.10069	6.2
182.10995	1.3
183.11665	14.7
185.13222	11.2
187.14825	5.7
189.16386	1.8
193.10139	2.2
195.11653	9.3
196.12430	1.0
197.13225	10.7
198.13963	0.8
199.14795	8.1
201.16370	3.1
207.11642	3.7
208.41821	0.7
209.13190	7.1
211.14793	7.6
213.16388	4.2
215.17928	1.1
219.11719	0.9
221.13260	2.8
223.14752	6.7
225.16339	4.5
227.17973	2.3
229.19536	0.8
233.13254	1.6
235.14723	2.0
237.16254	3.6
237.87004	0.8
239.17928	2.9
241.19714	1.4
249.16374	1.7
251.17967	2.3
257.19019	1.9
263.17874	1.6
265.19580	2.1
267.20984	1.6
271.20514	0.9
275.20056	2.9
279.21164	1.2
283.20612	1.2
295.20508	1.3
297.22089	1.8
307.23953	0.9
309.22015	1.3
323.23718	1.0
335.23721	1.6
337.25333	1.6
349.25253	1.2
351.26886	2.5
363.26678	1.1
365.28339	1.9
367.26007	0.9
379.30157	1.8
391.29980	0.9
405.31454	1.1
419.29312	0.9
429.31595	1.3
435.32382	0.9
447.32434	2.9
461.33655	1.1
499.39371	1.4
501.35922	1.1
517.40338	10.9
535.41437	6.4
539.37567	1.5
540.37677	0.9
541.38690	1.1
549.24823	1.3
565.42938	1.2
591.43915	8.4
609.27905	4.0
609.45044	100.0
610.45288	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.9
55.01861	11.2
55.05502	32.6
57.03428	8.2
65.03926	6.3
66.92279	2.4
67.05493	82.8
68.99752	2.7
69.03402	3.7
69.07058	37.5
69.36450	18.1
69.36885	12.8
75.51315	2.6
75.71278	2.8
79.05482	78.9
81.03419	6.5
81.07047	100.0
82.13021	2.6
83.04969	8.4
83.08624	13.0
85.06492	4.1
85.71474	2.4
90.02076	3.0
91.05466	82.5
91.81325	2.4
93.07036	76.2
95.01318	13.7
95.04956	22.2
95.08592	50.7
97.06509	13.0
105.07014	82.7
107.04937	18.7
107.08591	34.5
109.06503	10.1
109.10162	14.8
111.08095	5.0
116.06242	2.6
117.07011	24.3
119.08559	47.1
121.06471	4.7
121.10127	21.5
123.08108	6.4
123.11731	4.1
129.06947	5.6
131.08549	33.3
133.10101	49.0
135.08047	6.4
135.11650	13.7
137.09657	3.5
143.08566	4.2
145.06444	3.6
145.10097	24.4
147.11667	20.2
149.09607	5.9
149.13213	10.3
157.10100	2.9
159.11652	14.3
161.09660	3.5
161.13257	9.7
163.11154	4.3
165.09001	3.6
171.11655	3.7
173.13223	5.4
177.12740	4.1
179.14259	17.4
183.11745	5.3
201.16371	2.8
219.17447	35.2
239.18123	3.9
247.20483	3.7
249.53648	2.6
255.19763	2.6
257.18954	11.5
275.20044	99.7
276.87021	3.3
293.21088	8.8
335.25867	2.9
609.27350	5.8
609.35870	5.8
609.45013	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.5
55.01841	0.4
55.48206	0.4
56.94990	0.4
57.03427	2.3
58.94468	0.4
66.51348	0.4
67.05510	0.5
69.03419	2.5
71.01234	0.8
71.01581	0.7
71.04980	12.9
75.04417	0.4
79.05468	1.0
81.03381	1.2
81.07030	1.3
83.04958	1.0
83.08591	0.6
83.18567	0.4
85.02890	14.4
89.03894	2.7
91.05849	0.5
93.07018	0.8
93.18850	0.4
94.80080	0.4
95.04929	0.5
95.08578	0.6
97.02882	4.0
97.06503	0.4
99.04432	0.8
105.07035	0.9
107.04925	1.6
107.08536	0.6
111.04433	1.1
117.03370	3.3
119.08516	0.5
119.17587	0.4
121.06366	0.5
121.10162	0.5
124.77329	0.4
127.03886	1.0
129.05453	3.9
135.04398	10.2
145.02820	8.3
146.08124	0.6
147.04420	0.6
147.06467	1.6
163.03879	100.0
164.04187	0.6
165.05421	0.8
167.07005	1.2
173.13167	0.4
177.05434	0.7
181.04915	2.1
217.16292	0.4
229.16788	0.4
257.25433	0.4
273.07758	0.5
291.08386	0.5
307.08032	0.5
309.09641	0.5
325.09167	13.4
407.16104	0.5
514.97833	0.5
623.26495	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.5
55.01841	0.4
55.48206	0.4
56.94990	0.4
57.03427	2.3
58.94468	0.4
66.51348	0.4
67.05510	0.5
69.03419	2.5
71.01234	0.8
71.01581	0.7
71.04980	12.9
75.04417	0.4
79.05468	1.0
81.03381	1.2
81.07030	1.3
83.04958	1.0
83.08591	0.6
83.18567	0.4
85.02890	14.4
89.03894	2.7
91.05849	0.5
93.07018	0.8
93.18850	0.4
94.80080	0.4
95.04929	0.5
95.08578	0.6
97.02882	4.0
97.06503	0.4
99.04432	0.8
105.07035	0.9
107.04925	1.6
107.08536	0.6
111.04433	1.1
117.03370	3.3
119.08516	0.5
119.17587	0.4
121.06366	0.5
121.10162	0.5
124.77329	0.4
127.03886	1.0
129.05453	3.9
135.04398	10.2
145.02820	8.3
146.08124	0.6
147.04420	0.6
147.06467	1.6
163.03879	100.0
164.04187	0.6
165.05421	0.8
167.07005	1.2
173.13167	0.4
177.05434	0.7
181.04915	2.1
217.16292	0.4
229.16788	0.4
257.25433	0.4
273.07758	0.5
291.08386	0.5
307.08032	0.5
309.09641	0.5
325.09167	13.4
407.16104	0.5
514.97833	0.5
623.26495	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1597
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03923	0.2
55.01860	0.3
55.05471	0.3
57.03429	2.1
61.02907	0.6
63.70602	0.2
65.03920	0.3
65.62195	0.2
68.99770	0.5
69.03422	1.5
69.54100	1.9
71.01347	0.3
71.04979	11.7
73.02896	0.5
75.04450	0.6
75.79013	0.2
81.03399	0.7
81.07039	0.3
83.04944	0.7
85.02892	15.5
87.04453	0.6
95.04949	0.3
97.02877	1.6
98.93991	0.2
99.04413	0.3
109.02882	0.9
110.00601	0.2
111.00785	0.7
111.04395	0.3
121.02827	0.6
123.04420	0.4
127.03879	1.0
129.05453	3.5
135.04475	0.2
137.01294	0.4
137.02295	2.8
145.04941	0.9
147.06462	0.8
149.02396	0.3
153.01796	3.1
163.03888	0.5
165.01830	1.6
173.05908	0.4
183.02913	0.7
201.05508	1.3
207.97205	0.3
228.04144	0.3
229.04922	3.2
247.06044	0.8
257.04395	2.3
274.04623	0.7
285.03845	1.1
287.05481	0.8
288.05667	0.3
303.04944	100.0
304.05338	2.0
316.38461	0.2
391.11633	0.6
435.10657	0.3
446.11145	0.3
447.99719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	14.9
57.03426	4.7
57.07051	3.9
65.03910	2.9
67.05495	39.0
69.07056	14.8
69.53307	9.6
69.53733	7.6
79.05473	27.4
81.07045	31.3
81.94366	2.1
83.08603	10.4
85.06552	2.1
91.05452	24.3
93.07026	32.1
95.04946	2.9
95.08592	33.9
97.06551	2.4
97.10144	3.5
105.07008	23.0
106.96741	1.8
107.08582	17.5
109.06494	2.2
109.10133	14.5
111.58639	1.9
116.06272	1.7
117.06992	10.4
119.08547	19.3
119.61867	1.6
121.10114	12.3
129.07014	7.8
131.08540	21.0
133.10117	16.1
135.11705	11.5
141.07024	2.8
142.07747	2.8
143.08563	8.6
145.10129	19.1
147.11682	17.4
149.13274	8.0
155.08551	3.4
156.09367	2.1
157.10143	11.8
159.11697	14.9
161.13261	9.9
163.14806	2.6
169.10138	6.6
171.11694	8.3
173.13206	10.8
175.14841	4.2
181.10045	2.3
183.11732	7.3
185.13293	7.0
187.14818	4.2
189.16324	1.9
197.13243	4.8
199.14798	4.7
201.16460	2.9
209.13194	2.7
211.14838	4.1
213.16406	5.0
217.19688	2.2
225.16357	3.2
229.19528	2.4
241.19563	7.8
257.19110	4.0
259.20486	11.4
261.22162	4.3
275.20279	3.1
293.20969	2.3
315.23318	2.8
325.25485	2.0
333.24271	6.7
335.25726	15.2
515.89069	2.1
519.41980	6.3
537.42975	3.3
541.38580	2.2
588.39240	2.4
593.45593	8.6
611.46619	100.0
612.46747	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	611.466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20649	1.0
53.03934	3.9
55.01849	2.1
55.05267	1.9
55.05504	20.0
57.03426	7.4
57.07060	3.7
65.03923	2.9
67.05494	53.9
68.05833	2.2
69.07061	16.9
70.45116	1.2
71.04973	2.8
71.08611	2.9
71.62737	2.4
79.05479	36.4
81.07043	52.4
83.04972	1.7
83.08612	9.0
85.06532	1.7
91.05461	34.1
93.06432	1.4
93.07031	37.5
95.04939	5.1
95.08587	41.0
97.06524	2.9
97.10148	5.5
99.08089	1.7
105.07011	38.2
107.04863	1.2
107.08575	21.7
108.08921	1.4
109.06508	1.9
109.10140	15.1
111.08079	1.9
115.05470	1.4
117.06989	14.9
119.08564	32.1
119.11201	1.2
121.10129	15.8
123.11718	5.2
125.09616	1.1
128.06227	2.8
129.06978	12.6
131.08539	27.7
133.10107	21.3
133.11023	1.8
134.10484	1.2
135.11655	11.1
136.23700	1.3
137.13269	2.0
141.06967	2.8
142.07784	2.3
143.08530	15.2
144.61827	1.1
145.10107	24.9
147.11676	18.1
149.13235	7.8
155.08537	5.5
156.09245	1.4
157.10065	13.1
159.11674	17.9
161.13208	11.7
163.14832	3.3
167.08582	2.7
169.10072	7.7
171.11674	13.1
173.13255	13.1
175.14832	4.8
177.16377	2.2
181.10098	2.9
183.11642	7.8
185.13217	11.4
187.14792	5.9
189.16475	2.2
195.11679	2.8
197.13257	5.2
197.95779	1.2
199.14827	6.0
201.16389	4.7
203.17894	1.6
207.11821	1.3
209.13263	2.8
211.14792	3.3
211.16734	1.1
213.16420	4.8
215.17970	3.6
223.14790	1.5
225.16463	2.5
227.18085	2.2
231.21156	1.2
239.17934	2.0
241.19533	8.0
243.21175	1.4
244.62715	1.2
257.19055	4.1
259.20523	17.8
261.22086	5.0
273.22073	1.8
299.23672	1.4
311.23340	1.4
313.25565	1.4
333.24274	8.5
335.25824	16.8
353.28262	1.9
411.32657	1.4
519.42078	7.7
529.38855	1.3
537.42847	4.3
593.45642	7.4
594.46063	1.7
611.46594	100.0
612.46820	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	611.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01863	2.0
55.05505	14.1
57.03441	3.0
57.03684	0.5
57.07069	3.5
65.03927	1.6
66.19682	0.6
67.05138	1.3
67.05499	26.9
69.07061	14.1
71.04978	1.5
71.08626	2.1
71.70482	1.1
79.05023	0.8
79.05489	16.9
81.07049	27.3
83.04971	1.7
83.08611	9.4
85.06515	1.5
91.05463	13.8
93.07035	17.3
95.04968	2.2
95.08599	22.7
97.06533	1.9
97.10157	4.6
99.08096	1.1
103.05440	0.6
105.07008	16.7
107.08584	14.1
107.09310	0.7
109.06520	0.8
109.10141	8.8
110.73717	0.6
111.08044	1.2
111.11755	0.8
115.05494	0.8
117.07004	10.8
117.53116	0.6
119.08569	14.4
121.10147	8.0
123.08091	1.2
123.11695	3.0
125.09630	1.8
128.06209	1.7
129.06989	11.1
131.08554	19.5
133.08542	0.6
133.10112	11.0
135.08151	0.9
135.11678	5.3
137.09590	1.0
137.13232	1.0
139.11183	0.9
141.06978	3.0
142.07816	1.8
143.08545	13.6
145.10115	14.7
147.11668	6.2
149.13197	3.0
151.14822	0.7
152.39793	0.6
153.07047	0.7
154.07829	0.6
155.08522	6.5
155.47098	0.6
156.09315	1.0
157.10114	11.0
159.11671	10.5
161.13260	3.9
163.14824	1.7
165.07008	0.7
167.08562	2.7
169.10114	10.0
171.11642	10.2
173.13252	8.1
175.14822	2.2
177.16389	1.1
179.14355	1.7
181.10092	3.9
183.11661	8.4
185.13213	8.1
185.14487	0.7
187.14842	5.4
189.16444	2.3
191.17940	0.9
193.10159	1.2
195.11693	3.6
197.13240	6.4
199.14839	5.5
201.16397	3.6
205.19447	1.0
207.11703	1.5
209.13216	4.4
211.14761	3.3
213.16399	4.2
215.14503	0.7
215.17950	3.0
217.19522	1.1
221.13345	1.4
223.14815	3.1
225.16423	3.7
227.18002	2.6
229.19485	3.4
235.14940	1.1
237.16461	1.1
239.17946	2.8
241.19547	2.3
243.21049	1.7
249.16451	1.2
251.18010	1.2
253.19585	1.0
255.21193	1.5
257.22910	1.0
259.20541	0.7
265.19574	1.5
267.21100	1.3
269.18890	1.0
271.20755	0.9
275.20197	1.5
277.21826	1.4
281.22610	0.9
283.20462	0.8
297.22092	1.3
299.20288	0.7
309.22031	0.9
311.23734	0.8
317.25009	0.6
325.25247	1.0
339.26859	0.7
351.26932	0.7
353.28351	2.1
355.25970	0.7
367.26086	0.8
367.30206	1.6
381.31760	0.9
393.31570	0.9
395.33310	1.1
409.30576	1.0
411.32336	0.8
449.34219	1.8
491.86121	0.7
501.40918	2.1
519.42041	9.4
529.39136	0.7
537.42883	6.3
541.39166	1.2
555.42078	0.6
575.44733	1.2
579.25867	0.9
593.45691	9.8
611.29309	3.4
611.46631	100.0
612.28784	0.8
612.47504	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01857	1.2
55.05503	15.0
57.03429	4.1
57.07061	5.8
59.05004	0.4
65.03941	1.6
67.01936	0.4
67.05492	29.3
69.03406	1.2
69.07056	13.5
69.61185	3.8
71.04991	1.1
71.08614	2.9
72.64730	0.4
79.05016	1.0
79.05482	18.2
80.05802	0.4
81.03421	1.3
81.07041	29.6
83.04982	2.0
83.08606	9.1
85.06546	1.2
85.10165	0.9
91.05458	14.4
93.07026	19.4
94.07352	0.6
95.04936	2.5
95.08587	21.9
95.80276	0.5
96.08929	0.4
97.06519	2.3
97.10167	4.8
99.08099	1.5
103.05453	0.5
105.07008	16.4
107.08572	10.3
109.06511	1.4
109.10137	11.6
111.08068	2.4
111.11713	0.8
115.05427	1.1
117.06995	10.0
117.07775	0.6
119.08559	15.0
119.09398	0.7
121.06517	0.5
121.10117	7.6
123.08067	1.4
123.11660	3.4
125.09658	1.7
127.07460	0.9
128.06178	2.8
129.06979	9.5
129.07840	0.8
130.07779	1.1
131.08540	19.7
133.10109	11.6
135.08034	0.8
135.11668	4.6
137.05998	0.5
137.09541	0.6
137.13232	1.2
141.06966	4.5
142.07756	2.7
143.08536	16.3
144.09337	1.0
145.06410	0.5
145.10091	18.4
147.11639	6.3
149.09590	0.6
149.13228	2.5
151.11200	0.6
151.14833	0.9
153.06984	0.9
154.07796	0.6
155.08543	9.1
156.09343	1.8
157.10098	16.1
158.10805	0.6
159.11662	13.6
160.12100	0.6
161.13214	3.9
163.14832	2.0
165.12819	0.5
167.08542	3.5
168.09305	1.3
169.10097	10.8
169.11464	0.7
170.10883	0.8
171.10199	0.7
171.11662	12.3
173.11833	0.7
173.13228	8.5
174.13846	0.6
175.14798	2.6
177.16399	1.4
179.08495	1.1
181.10078	5.3
182.10851	1.0
183.11665	9.3
184.12437	0.7
185.11644	0.3
185.13216	8.6
186.13817	0.5
187.14796	5.4
189.16432	1.7
190.46019	0.5
191.17950	1.0
193.10147	1.2
195.11661	5.5
196.12544	0.7
197.13232	8.1
197.14941	0.8
199.13104	1.0
199.14795	7.6
201.16379	3.5
203.17926	0.6
207.11719	1.6
209.13200	4.1
211.14809	5.3
213.14732	0.8
213.16400	5.2
215.17873	3.3
217.19519	0.6
219.17549	0.7
221.13235	1.2
223.14742	3.7
225.16344	4.8
227.18030	4.4
229.19536	3.3
231.21124	0.5
233.13321	0.5
235.14816	2.0
237.16277	2.7
239.17931	3.4
241.19656	3.4
243.17424	0.6
243.21069	2.1
245.19206	0.6
247.17102	0.6
247.20570	0.6
249.16438	1.1
251.17906	2.2
253.19618	2.4
255.21165	2.1
257.19022	1.2
257.22601	0.9
259.20731	1.1
263.17841	0.9
265.19623	1.1
267.21149	1.6
269.19131	0.7
269.22656	1.6
271.20593	0.6
275.20099	1.2
277.21790	1.2
279.21103	0.9
281.19180	0.6
281.22589	1.1
283.20734	1.7
285.18683	0.6
285.22052	0.8
293.22656	0.5
295.24371	0.8
297.22189	0.8
297.25693	0.7
299.15091	0.9
299.20343	0.8
299.23602	0.7
301.21875	0.5
309.22113	0.8
311.23593	1.2
315.23422	0.5
323.23743	1.0
325.25470	1.3
327.23306	1.1
329.24808	0.6
330.28552	0.4
337.25348	1.2
339.23212	1.1
339.26880	1.5
341.24579	1.1
341.28333	0.7
351.26654	0.8
353.24643	1.0
353.28503	2.2
363.26324	0.5
365.28647	0.8
367.26053	0.8
367.30045	1.8
369.27521	0.8
371.29282	0.6
379.25748	0.8
379.29993	1.0
381.27670	1.0
383.29422	0.7
389.51984	0.5
393.31516	1.1
395.33359	1.5
397.31079	0.7
403.29788	0.6
407.28793	0.9
407.33267	1.2
409.30573	0.7
425.34003	0.8
427.31546	0.5
431.33276	0.9
435.32117	0.7
449.34103	0.9
451.36020	0.7
501.40936	3.8
509.36185	0.6
513.36743	0.6
519.41913	15.1
520.42004	0.7
523.37750	1.0
527.37000	0.8
537.43060	9.5
541.38843	1.2
555.44135	0.8
575.44550	2.4
593.45514	15.5
594.45752	0.8
611.46674	100.0
612.47058	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	611.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.1
55.01856	1.7
55.05236	0.9
55.05501	13.3
57.03443	5.9
57.07059	2.4
65.03927	2.7
67.05495	38.2
69.07056	13.8
69.77068	6.4
71.04993	1.4
71.08615	1.6
79.05484	25.4
81.07047	37.2
83.04982	1.5
83.08603	6.9
85.06539	1.1
91.05460	22.1
93.07034	33.1
95.04949	3.6
95.08593	31.5
97.06509	2.4
97.10133	3.7
98.20634	0.9
105.07018	25.0
107.08575	20.6
107.09244	1.6
109.06485	0.9
109.10145	15.3
111.08102	1.3
113.09679	1.0
114.82992	1.0
115.05453	1.2
117.06998	11.4
119.08566	21.5
121.10129	14.9
123.11682	5.8
123.20834	0.8
125.09598	1.0
128.06181	2.1
129.06975	6.7
130.07704	1.0
131.08546	18.2
131.09465	1.7
133.10103	18.8
135.11658	10.7
137.09601	1.4
137.13220	1.8
141.06947	2.5
143.08542	9.5
144.09134	1.0
145.10098	18.2
147.11653	14.6
149.09598	1.2
149.13246	5.8
155.08498	5.0
156.09320	1.0
157.10104	10.8
159.11685	15.0
161.13245	11.4
163.14815	2.7
167.08618	1.3
169.10089	6.0
171.11667	12.4
173.13264	9.9
175.14767	5.6
177.16434	1.1
179.14328	1.1
181.10074	2.5
183.11671	5.8
185.13231	9.1
187.14772	5.6
189.16357	1.7
195.11710	2.3
197.13261	3.8
199.14832	4.5
201.16386	3.8
209.13316	1.9
211.14821	2.1
213.16402	4.0
215.17932	3.0
223.14810	1.1
225.16324	1.6
227.18013	2.0
229.19466	2.2
231.21121	2.0
237.16321	1.5
239.18008	2.6
241.19539	9.1
243.21068	2.7
257.19077	3.5
259.20557	15.7
261.22168	2.5
265.19510	1.1
277.21616	1.4
283.20450	1.0
311.23495	0.9
313.25229	1.0
315.23212	1.7
325.25357	1.5
333.24203	11.3
335.25769	18.5
337.27197	1.4
347.22095	1.2
353.28482	1.4
379.29868	1.1
399.91577	1.0
449.33884	1.1
463.35849	1.0
487.34442	1.1
489.35736	1.2
501.35690	1.2
503.37128	1.3
519.41986	6.8
523.37714	1.2
527.37231	1.7
529.38867	1.0
537.43097	3.9
538.62421	1.0
541.39117	2.0
573.38306	1.1
575.44952	1.3
593.45630	10.0
611.46613	100.0
612.46893	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	611.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.7
53.03938	1.7
53.74324	0.4
55.01868	2.6
55.05502	15.6
57.03431	5.3
57.07075	3.8
59.04971	0.6
63.44651	0.4
65.03928	2.1
65.69463	0.6
65.98590	0.5
67.05492	29.3
69.03412	0.8
69.07056	14.2
70.88817	0.9
71.04975	1.4
71.08622	1.7
76.30469	0.5
79.05479	21.0
81.03434	0.6
81.07043	28.5
82.07383	0.5
83.04961	1.3
83.08609	8.7
85.06538	1.9
85.10187	0.8
91.05462	17.3
92.05820	0.5
93.07030	20.9
95.01328	0.8
95.04950	3.8
95.08588	24.2
97.06519	3.3
97.10152	5.0
99.08045	1.2
105.07015	19.4
107.08580	12.7
109.06512	2.0
109.10139	10.0
111.08093	1.9
111.11691	0.6
115.05405	1.0
117.07000	10.5
117.07789	0.7
119.08561	16.4
121.10120	8.7
121.71101	0.4
123.08043	1.6
123.11692	3.4
125.09631	1.5
127.07607	0.5
128.06181	3.0
129.06985	12.6
130.07848	0.8
131.08545	20.9
133.10104	10.7
135.08044	0.8
135.11668	5.7
137.09581	0.8
137.13287	1.2
139.11133	1.0
141.06979	4.2
142.07732	3.0
143.08542	17.8
144.09305	0.9
145.06494	0.6
145.10100	19.6
147.04399	2.6
147.11667	5.9
149.13268	2.8
153.06979	1.0
154.07776	1.4
155.08521	10.4
156.09346	2.0
157.10100	16.7
158.10854	0.6
159.11665	13.4
161.13261	5.2
163.11188	0.8
163.14766	0.9
167.08560	3.6
168.09360	1.0
169.10107	12.5
170.10725	0.7
171.08040	0.6
171.11659	12.4
171.13042	0.7
172.12241	0.8
173.13217	8.3
175.14789	3.4
177.12712	0.7
177.16429	0.7
179.08566	1.7
180.09340	0.7
181.10081	5.7
182.10834	0.9
183.11662	10.9
184.12437	0.6
185.09586	0.6
185.13220	9.5
185.14743	0.7
187.14774	5.6
189.16377	2.4
191.17908	0.9
193.10100	1.8
194.10962	0.6
195.11649	6.1
197.13217	8.6
199.13130	0.9
199.14818	7.6
201.16368	4.1
203.17966	1.2
205.19531	0.9
207.11720	1.9
209.13254	3.4
211.14819	7.4
211.16698	0.8
213.12991	0.5
213.14783	0.7
213.16394	6.3
215.17909	3.9
217.19456	1.1
218.40363	0.5
219.11739	0.9
221.13293	2.6
223.14812	4.1
225.16350	4.6
227.14445	0.7
227.17986	4.8
229.19518	3.4
231.17513	0.8
235.14708	2.4
237.16342	3.0
239.17958	4.0
241.15805	1.1
241.19734	2.8
243.17441	0.5
243.20990	2.3
249.16429	1.0
251.17953	1.9
253.19533	2.2
255.17354	0.6
255.21072	1.6
257.19070	1.2
257.22662	0.9
259.13110	1.0
259.20837	0.5
261.22134	0.7
263.17987	1.1
265.19540	1.6
267.20972	1.2
269.19092	1.0
269.22708	1.9
273.22079	0.6
275.20062	1.0
279.20944	0.7
281.18988	0.6
281.22687	0.7
283.20554	0.9
283.24371	0.9
285.18372	0.6
285.22195	0.7
287.23608	0.6
295.20651	0.7
295.24213	1.3
297.22064	1.0
299.19962	0.9
307.24414	0.6
309.22107	0.7
309.25955	0.6
311.23663	1.3
323.23773	0.7
325.25070	1.0
327.23022	0.9
335.26126	1.0
337.25024	1.2
339.23178	0.6
339.26871	1.9
341.24738	0.8
341.28552	0.6
351.26785	1.0
353.28433	1.7
355.26465	0.6
363.26801	0.9
365.28452	1.0
367.29996	1.8
371.29379	0.7
381.31723	0.9
393.31754	0.7
395.28854	0.8
395.33282	1.4
403.29788	0.6
407.28796	0.9
407.33566	1.1
417.30951	0.6
421.30731	0.9
423.32483	1.0
425.34100	0.9
431.33139	0.9
435.32352	1.1
437.34732	0.6
449.34146	1.3
451.35495	0.6
455.35083	0.5
463.35764	1.0
475.34555	0.8
477.37509	0.8
501.41019	3.0
509.36404	0.7
513.35815	1.1
519.41943	15.4
520.42474	0.8
523.38000	0.7
525.40295	0.6
527.37494	1.1
537.42981	9.0
541.38690	0.9
555.43268	0.6
557.44373	1.0
567.44635	0.6
575.44360	2.2
593.45605	16.3
594.45746	0.9
611.46582	100.0
612.47119	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01848	1.2
55.05501	7.3
57.03426	3.1
57.07059	1.5
65.03932	0.7
67.05495	20.3
69.07060	7.6
70.89326	2.3
71.04980	1.0
71.08615	1.0
79.05477	12.9
80.05843	0.6
81.07045	20.9
83.04979	1.1
83.08601	6.6
85.06560	1.8
91.05461	10.7
93.07032	17.2
95.04960	1.4
95.08589	21.1
97.06505	2.2
97.10155	3.2
99.08107	1.8
105.07017	12.7
107.08575	13.5
109.10155	11.1
111.08078	1.4
117.06992	5.8
119.08566	15.2
121.10123	11.3
121.10965	0.8
123.08054	0.9
123.11690	4.0
125.09609	1.0
129.06964	3.1
131.08546	11.1
133.10110	13.4
135.11659	8.9
137.09590	0.8
137.13257	1.8
141.06952	0.7
142.07799	0.9
143.08536	4.9
145.10100	12.0
147.11658	11.0
149.13223	6.8
151.11185	1.0
155.08542	2.2
157.10094	6.5
158.10841	0.7
159.11664	10.6
161.13246	8.6
163.11143	0.7
163.14832	2.2
169.10141	3.8
171.11665	8.5
173.13220	9.3
175.14803	4.9
177.16393	1.6
179.14293	1.3
181.10118	1.8
183.11646	3.3
185.13235	6.8
187.14818	4.5
189.16417	2.3
191.17986	1.1
195.11722	1.5
197.13200	3.7
199.13162	1.0
199.14772	5.6
201.16429	2.7
203.17972	0.7
209.13249	2.0
209.15138	0.7
211.14812	2.0
213.16423	3.7
215.17989	1.5
217.19519	1.1
223.14778	1.4
225.16463	1.9
227.17978	1.4
229.19360	0.9
231.17580	0.7
231.21051	1.7
237.16412	1.6
239.17999	1.6
241.19592	8.1
243.21004	1.4
251.17947	0.8
253.19662	1.0
255.21117	0.8
257.18903	3.2
259.20547	15.5
261.19443	0.5
261.22086	3.6
271.20496	1.3
277.21692	2.1
283.20401	0.9
285.22064	1.3
297.22064	0.7
299.23608	1.3
303.23416	0.7
311.23740	0.8
313.21588	0.9
315.23239	1.5
325.25464	1.1
327.26932	0.7
331.22723	0.9
333.24265	9.5
335.25775	14.4
337.27606	1.1
339.26825	1.7
351.25961	0.9
353.28448	2.1
363.26132	0.7
365.28149	0.7
367.30447	1.1
369.27560	0.7
381.31586	0.9
437.33954	1.2
453.33737	0.6
475.35162	0.7
501.41025	1.1
519.42053	7.6
529.39087	0.7
537.43121	4.3
541.38879	1.5
544.92279	0.7
550.69946	0.6
553.43579	0.7
593.45520	8.8
611.46588	100.0
612.46790	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	612.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	1.5
53.03931	7.4
55.01849	4.4
55.05504	28.1
55.52670	1.3
57.03409	6.4
57.07059	5.1
61.02903	3.8
67.05492	37.2
69.03423	25.9
69.06688	2.4
69.07057	43.5
69.58456	1.5
70.06564	2.5
71.04983	15.4
71.08587	2.1
71.70692	1.7
73.02900	2.6
73.06543	2.0
77.78972	1.5
79.05480	19.2
81.03405	34.5
81.07043	55.8
83.04969	8.0
83.08606	30.7
85.02893	46.0
85.06536	6.4
86.09673	3.0
91.05460	20.1
92.05759	1.6
93.07038	22.3
95.04955	6.7
95.08585	48.5
97.02870	16.5
97.06507	7.5
97.09573	2.0
97.10162	24.5
99.04440	13.8
99.08079	3.2
103.03894	1.6
105.07005	19.5
106.07350	1.9
107.04944	3.7
107.08579	18.5
109.02167	2.5
109.02864	35.7
109.06503	2.8
109.10140	23.2
111.04441	10.1
111.08062	4.5
111.11700	12.0
113.06015	1.8
115.05467	2.5
117.03351	2.2
117.07000	4.4
119.04926	2.9
119.08553	17.3
121.02810	1.8
121.06448	4.5
121.10120	22.5
123.04435	4.7
123.08069	3.9
123.11683	9.6
125.09605	4.7
125.13235	2.8
127.03896	45.5
127.07588	1.6
129.05472	3.0
131.08516	4.5
133.10103	17.8
135.04378	3.0
135.08055	2.0
135.11668	22.0
137.05923	3.6
137.09583	4.4
137.13234	5.9
139.03918	1.6
139.11131	5.8
143.08527	2.2
145.02849	3.6
145.04942	4.6
145.06471	3.1
145.10077	6.0
147.04382	7.7
147.11661	16.3
149.05963	1.8
149.09610	2.4
149.13225	6.3
151.03862	4.1
151.07484	3.3
151.11171	5.8
151.14757	4.5
153.05470	2.9
153.12740	2.6
157.10112	3.0
157.12370	1.5
159.11726	4.7
161.09627	2.2
161.13251	9.0
163.03885	31.3
163.07448	1.8
164.04211	11.5
165.04391	2.6
165.12711	5.3
167.05602	1.8
167.07021	30.8
167.08464	1.8
168.07330	9.9
171.11563	2.2
171.13762	1.6
173.05925	2.4
173.13220	2.0
175.14772	4.1
177.05466	3.4
179.14272	3.3
181.04890	7.8
185.13245	2.1
193.19495	2.4
194.66612	1.6
205.08644	2.8
205.12181	2.0
217.19458	19.9
235.20560	25.1
251.20093	3.6
253.21611	35.4
259.16708	1.6
271.22607	6.0
273.02707	2.8
286.04752	2.2
287.05527	3.5
288.08609	11.7
295.22519	3.6
301.07028	2.2
302.07391	1.8
311.22485	1.9
315.23068	3.3
319.22693	2.8
325.09134	2.0
327.09512	2.3
337.23654	2.6
343.22711	11.2
361.23669	39.5
379.24734	82.2
380.25085	4.2
385.13065	2.3
397.25812	100.0
398.25800	3.9
415.26941	32.0
417.15195	1.7
466.13901	2.2
613.23016	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	613.2643
Annotation	Karajinone B
Peak:m/z	Relative Intensity
55.05484	0.9
66.53551	0.7
67.05476	2.9
69.07055	1.3
71.71821	1.6
79.05467	2.2
81.03385	0.8
81.07039	2.9
91.05476	1.7
93.07021	2.6
95.04954	1.7
95.08585	2.3
97.06494	0.9
105.07010	1.6
107.04943	0.6
107.08586	1.4
109.06503	2.7
109.10170	0.8
117.07006	0.9
119.08572	2.1
121.10117	0.8
131.08496	0.8
133.10127	1.3
135.11700	0.9
145.10083	1.5
149.09677	0.8
157.10147	0.9
205.12181	0.7
221.15274	1.3
283.98743	0.7
352.16904	0.8
353.17487	0.8
358.94891	0.8
366.14618	1.2
367.19321	1.1
381.17126	2.3
393.16898	1.0
395.18793	3.7
396.19339	4.7
407.18692	0.9
409.16031	1.4
409.20682	1.8
410.21469	1.4
411.21848	1.8
422.13345	0.9
423.18015	3.0
424.18640	3.6
437.15469	1.8
438.20471	1.2
439.21393	5.6
449.19446	1.7
451.17288	4.8
452.18332	2.1
453.19418	1.1
465.18488	1.3
466.19882	4.2
467.20706	3.8
479.20807	2.7
482.23233	1.7
483.23987	1.4
493.22330	1.3
497.25430	1.3
510.21960	1.4
511.19519	0.9
521.21613	0.9
525.24957	9.8
535.22998	1.2
538.22235	2.1
539.23059	1.1
553.24316	19.6
581.23297	1.1
613.26453	100.0
613.42719	2.8
614.26532	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	613.4817
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03936	3.3
53.48605	1.0
55.05507	30.2
57.03435	8.3
57.07059	5.0
65.03919	3.7
67.05497	76.8
69.07061	28.8
71.04975	2.4
79.05021	2.0
79.05484	40.4
81.07044	83.7
83.04964	3.1
83.08607	13.7
85.06537	2.2
91.05466	39.6
93.07034	52.4
95.04963	5.1
95.08595	61.7
97.06510	3.7
97.10136	6.5
99.08114	1.5
105.07016	40.0
107.08572	34.9
109.06549	1.2
109.10149	30.3
111.08089	1.6
113.09601	1.4
117.06995	15.4
119.08561	32.7
121.10125	25.6
123.11692	11.8
129.06999	5.2
131.08557	28.5
133.10112	32.2
135.11674	21.3
137.09605	1.2
137.13242	4.6
139.11267	1.3
141.07025	1.8
143.08548	8.9
145.10104	25.3
147.11665	19.2
149.13213	10.5
151.11266	1.3
151.14902	1.7
155.08540	2.5
157.10100	11.2
159.11674	21.3
161.13213	11.7
163.14839	6.3
169.10150	1.8
171.11697	10.4
171.91022	1.1
173.13246	15.5
175.14755	7.4
177.16324	1.7
179.14285	1.3
181.10181	1.3
183.11743	3.0
183.14952	1.4
185.13168	6.3
187.14821	9.6
189.16367	3.4
191.17885	1.6
197.13181	2.8
199.14787	6.2
201.16370	5.2
203.17953	1.8
213.16383	2.3
215.17970	3.5
223.14783	1.4
225.16406	2.0
227.17966	1.7
229.19554	1.8
239.17949	2.0
241.19579	3.7
243.21098	2.7
245.22678	1.4
247.20494	1.3
259.20538	9.2
261.22064	11.3
263.23669	2.1
273.22281	2.1
277.21674	2.0
285.22177	1.5
287.23737	1.4
299.23660	1.4
313.25415	1.7
315.26596	1.4
333.24237	5.2
335.25745	13.3
337.27350	12.9
341.28250	1.7
489.35519	1.6
521.43597	5.9
539.44513	3.5
543.40332	1.6
595.47076	9.3
613.48212	100.0
614.48480	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	613.4813
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03938	1.7
55.01849	1.9
55.05502	17.7
57.03417	5.5
57.07050	3.9
65.03924	2.5
67.05492	50.3
69.07050	21.0
69.51489	2.9
69.51902	11.8
71.04989	2.8
71.08641	2.8
79.05481	25.6
81.07040	57.0
83.08607	11.9
85.02087	1.2
85.06543	1.5
85.48029	1.4
87.45655	1.4
91.05462	23.4
93.07023	37.8
93.07578	2.0
95.04948	2.8
95.08589	46.3
97.06496	2.6
97.10149	6.3
98.21429	2.2
99.08078	2.0
105.07003	24.6
107.04877	1.5
107.08577	22.5
109.06532	1.4
109.10137	22.3
111.08092	1.4
117.07033	8.6
119.08558	24.5
119.16967	1.3
121.10119	22.9
123.08017	1.4
123.11702	11.5
125.09571	1.7
128.06221	1.4
129.06955	4.3
131.08536	18.6
132.50485	1.3
133.10097	19.4
135.11635	16.3
137.13251	3.5
143.08537	7.3
145.10089	18.0
147.11682	13.5
149.13252	8.3
157.10130	5.0
158.94931	1.2
159.11674	14.1
161.13208	12.3
163.14825	5.9
165.16379	1.6
169.10170	3.3
171.11679	7.0
173.13237	11.8
175.14839	5.0
183.11691	1.6
185.13239	5.1
187.14813	8.0
189.16389	2.8
197.13246	2.1
199.14818	3.0
201.16388	3.3
203.18011	1.7
213.16385	3.0
215.17981	2.1
231.21098	1.8
239.18019	1.6
241.19720	1.9
243.21091	2.6
259.20523	7.8
261.22122	9.5
275.20187	1.3
275.23666	1.6
277.21854	1.6
279.23251	1.5
317.24866	2.2
329.24640	1.5
329.28424	1.8
330.22943	1.6
333.24112	7.1
335.25732	12.4
337.27374	8.5
351.57718	1.4
389.03473	1.6
403.67255	1.4
475.34460	1.4
521.43707	6.6
535.50104	1.7
539.44263	4.6
543.40668	2.0
575.32007	1.5
595.46954	15.8
613.48126	100.0
614.48370	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	613.4819
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.36260	1.1
55.01855	1.4
55.05508	14.6
57.03423	3.4
57.07072	6.2
57.80635	1.0
67.05497	27.3
69.07065	10.9
69.96803	7.4
71.04995	1.6
71.08615	2.6
79.05486	14.0
81.07043	29.3
83.05005	2.1
83.08607	8.2
91.05468	13.1
93.07037	18.4
95.04945	2.6
95.08591	22.0
97.06538	2.2
97.10151	3.6
100.32301	1.1
105.07014	22.0
107.08580	9.7
109.10142	9.1
111.08028	2.4
111.96914	1.3
113.09690	1.2
116.06246	1.4
117.06992	9.2
119.08574	26.6
121.10128	7.4
123.08035	2.0
123.11652	2.8
125.09618	1.2
129.06981	7.5
131.08560	17.6
133.10114	11.5
135.11697	5.1
137.09595	1.3
137.13211	2.4
141.06953	2.4
143.08563	8.7
144.09372	1.2
145.10110	20.3
147.11647	6.9
149.13237	1.8
155.08534	4.1
157.10091	8.4
159.11674	8.4
161.13173	6.2
164.71141	1.2
169.10121	4.0
171.11710	6.7
173.13268	6.9
175.14769	6.0
183.11711	4.0
185.13225	6.6
187.14806	7.2
189.16394	2.1
195.11678	2.4
197.13246	3.5
199.14839	4.6
201.16313	7.5
203.17929	1.6
209.13252	2.1
211.14861	4.2
213.16429	3.4
215.17989	2.1
217.19598	1.7
223.14958	1.3
225.16400	2.0
227.17943	2.1
229.19597	3.3
237.16489	1.3
239.18010	1.6
243.21085	2.0
257.22723	1.5
265.19629	1.2
267.21106	1.3
299.23740	1.3
301.21396	1.5
327.26883	1.7
369.31735	1.2
409.34998	1.5
465.90250	1.3
503.42700	2.1
519.30023	1.3
521.43591	14.7
539.44739	5.7
577.44983	1.5
595.47247	8.2
613.48199	100.0
614.48370	5.6
620.31232	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
57.07069	6.4
58.06598	1.7
65.03912	1.2
65.98534	0.3
67.05466	0.6
68.05009	0.5
68.75984	0.3
69.03429	0.5
70.06583	16.5
71.08624	3.1
71.71786	0.6
79.05482	0.4
81.07021	0.4
88.07619	21.3
91.05473	0.4
93.07016	0.6
95.04941	0.6
95.08563	0.5
102.08516	0.8
102.09168	15.6
105.03370	0.5
105.07011	0.8
107.08542	0.7
107.20397	0.3
109.10120	0.4
119.08535	0.8
121.02785	0.3
131.04932	0.4
131.08545	0.5
145.10077	0.4
147.04395	0.8
149.02325	43.8
153.06918	0.4
175.03871	0.8
193.04947	54.5
194.05310	0.5
212.23720	0.4
219.06485	1.2
225.05496	1.0
256.26331	48.3
257.26675	1.2
269.04459	1.1
291.88028	0.3
297.03860	2.7
313.07025	2.6
341.06503	11.1
350.86945	0.4
359.07559	6.2
385.09143	52.0
386.09589	1.6
596.31952	0.8
614.33142	100.0
615.33319	4.4
637.50665	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	5.9
55.01861	3.7
55.05497	16.3
57.07061	12.7
59.04992	17.9
67.05493	27.7
69.03421	10.1
69.07069	15.8
71.04971	6.9
71.71802	6.1
73.06548	5.9
79.05478	25.3
81.07047	35.1
83.04953	7.8
83.08599	8.6
85.06524	27.4
91.05463	43.0
91.05974	5.1
93.07030	72.2
95.04929	16.7
95.08586	55.0
97.06509	7.1
99.08096	4.7
103.05437	5.2
105.07006	65.5
107.08590	48.5
109.06496	13.7
109.10131	22.5
111.08052	10.9
117.06992	18.3
119.08562	97.7
120.31018	3.4
121.06480	11.0
121.10135	44.5
122.53306	2.9
123.08051	51.5
123.11703	7.6
123.23263	3.0
125.05990	4.8
125.09620	14.2
128.06200	4.6
129.06985	12.8
131.08554	39.7
133.06462	5.5
133.08560	3.2
133.10110	66.4
135.07985	15.3
135.11650	19.0
137.09601	13.3
139.07538	3.7
141.06918	6.5
142.07751	11.3
143.08501	24.3
144.09329	10.9
145.10104	49.0
147.08032	21.9
147.11618	20.3
149.09616	15.7
149.13242	6.5
151.07506	52.9
151.11148	10.8
155.08530	11.4
156.09315	9.9
157.10118	36.2
158.10841	5.8
159.08073	5.7
159.11649	28.2
161.09628	15.9
161.13223	13.1
163.11229	15.4
165.07043	4.2
165.09108	41.2
167.08629	3.7
167.10535	4.1
168.19904	3.1
169.10094	16.9
170.10861	7.8
171.11656	23.0
173.09570	6.5
173.13235	19.0
175.11192	9.1
175.14790	21.8
177.12732	4.2
179.08585	5.4
181.10130	9.0
181.12178	7.6
182.10840	6.9
183.07840	3.7
183.11670	17.3
183.13693	4.5
185.13232	13.3
187.11191	5.6
187.14854	4.4
189.12712	19.6
191.14249	6.4
193.10103	5.0
194.10802	6.1
195.11642	17.7
195.13481	3.4
196.12360	4.5
197.13239	13.2
199.14809	6.7
201.16301	5.8
203.14365	18.4
207.11653	8.6
207.13785	18.2
208.12445	3.7
209.13213	17.3
209.15186	5.9
211.13223	9.3
211.14946	6.2
213.12820	5.0
215.14244	3.7
217.15926	6.2
219.17584	3.6
221.13229	8.1
221.15288	93.6
223.14857	7.0
223.16919	10.6
235.14774	8.1
247.16914	5.2
249.16196	4.0
251.16417	7.9
263.17963	4.4
286.19244	5.3
287.19995	4.5
297.22119	3.9
299.20050	9.3
301.21558	4.8
357.62366	3.3
375.26920	3.8
403.29822	5.6
425.30298	4.2
491.35419	15.8
583.41364	28.6
597.42444	14.4
615.43976	100.0
616.44360	4.5
640.02106	3.8
644.85852	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	615.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	24.7
57.03431	4.6
57.07062	6.5
67.05495	45.7
69.07061	24.0
69.42053	7.8
69.42480	12.5
71.04980	3.1
71.08632	3.5
78.07220	2.0
79.05486	24.7
81.07042	49.8
83.08612	14.0
91.05476	18.7
93.07034	31.9
95.04958	3.9
95.08593	38.6
97.06516	5.2
97.10136	7.4
105.07009	18.2
107.08584	21.8
109.10143	19.7
117.07003	7.1
119.08559	20.5
121.10156	18.2
123.11708	8.1
125.09584	2.0
129.06950	2.3
131.08543	8.4
133.10075	18.2
135.11658	14.6
137.13249	3.1
143.08490	2.6
145.10120	12.1
147.11691	11.1
149.13231	6.5
150.16614	2.1
157.10124	4.9
159.11673	8.1
161.13231	7.7
163.14783	3.0
169.98418	1.9
171.11612	4.0
173.13217	5.5
175.14807	4.6
177.16377	3.1
187.14825	2.9
189.16364	2.0
199.14900	3.1
201.16396	2.4
241.19484	2.5
259.20502	3.4
261.22281	9.4
277.21649	2.4
335.25781	6.8
337.27390	9.5
339.29224	2.4
365.77719	2.1
523.44916	4.4
534.01898	2.0
541.46539	2.8
597.48621	11.0
615.49719	100.0
616.50031	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	616.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.7
55.01862	2.7
56.77950	0.7
57.03422	1.0
65.03922	3.4
67.05502	1.3
69.03395	1.5
70.06599	1.1
70.95288	2.3
71.04984	0.7
72.08154	1.1
74.85536	0.6
75.04474	4.8
77.52622	0.7
78.04688	3.3
79.05475	4.8
81.03401	1.8
81.07033	1.6
85.02897	8.7
86.09701	0.7
89.03906	1.6
89.06026	1.1
91.05464	16.0
93.03391	14.4
93.07032	9.2
95.04958	7.7
97.02871	1.4
97.06516	4.2
103.05453	11.4
105.03341	0.9
105.04455	1.4
105.07015	14.3
106.04157	37.2
107.04934	3.5
109.06502	2.5
109.58844	0.8
111.04451	1.6
111.08051	0.9
115.05441	2.8
117.03387	1.5
118.04161	1.9
119.04948	1.8
121.02828	2.7
121.06491	36.9
122.07275	0.8
123.04412	1.8
123.08056	1.2
125.05969	9.5
125.89033	0.8
127.03905	0.9
131.04910	3.8
133.02826	1.1
133.06470	13.2
134.03606	6.4
135.04382	2.7
137.05956	5.6
138.06709	2.2
139.07541	3.6
143.06000	1.3
145.02834	1.7
147.04373	1.6
148.05167	4.0
149.05962	61.8
150.06175	0.8
151.07529	3.1
152.08301	1.0
153.05473	2.1
153.09091	14.7
161.05959	26.1
162.07520	0.8
163.03893	2.4
163.07512	4.7
165.05356	1.5
166.06224	1.6
167.07007	3.2
177.05438	28.7
181.08572	25.0
191.07021	22.7
193.08569	23.7
195.06569	1.0
209.08061	100.0
213.33403	0.8
234.14833	1.8
257.17358	1.9
262.21552	0.7
275.01053	0.7
321.02783	0.9
322.23712	8.3
387.14337	2.3
401.16116	0.9
484.29022	3.8
491.12354	0.9
604.97028	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.0
55.05504	11.2
57.07055	6.0
67.05487	14.8
69.03416	6.4
69.07053	10.4
69.41567	17.3
69.41976	6.2
72.31651	2.2
79.05479	10.4
81.07051	21.7
83.04977	4.7
83.08605	9.5
85.06509	3.6
87.04452	4.1
89.60358	2.4
90.57449	2.6
91.05453	24.1
93.07035	22.2
95.04958	4.4
95.08592	28.2
97.06499	4.1
105.07016	28.2
107.08577	33.3
109.06511	5.7
109.10151	12.4
116.00751	2.7
117.07012	6.5
119.04910	21.9
119.08567	32.6
121.06580	3.2
121.10132	24.2
123.08057	7.6
123.11665	8.6
125.05959	4.3
125.09591	2.8
128.56079	2.3
129.06970	4.1
131.08537	15.8
133.10109	27.2
135.08040	7.3
135.11687	10.5
141.06967	2.9
142.07777	4.3
143.08586	11.7
145.10095	25.9
147.04385	100.0
147.08034	6.5
147.11635	14.4
148.40811	2.4
149.09573	4.3
149.13252	8.2
151.07510	9.2
155.08583	2.6
156.09300	3.6
157.10141	11.9
159.11679	15.3
161.09576	5.2
161.13237	8.5
163.11128	3.3
163.14769	6.2
165.05437	28.5
165.09111	6.6
167.10660	7.7
168.64317	2.4
169.10049	2.8
171.11644	12.9
173.09596	2.9
173.13229	12.3
175.14827	15.5
177.16373	4.3
181.10010	3.0
181.12276	5.5
183.11679	6.6
185.13191	6.8
187.11234	2.6
187.14845	14.3
189.16341	14.3
191.17955	4.5
195.11633	3.5
197.13264	6.7
199.14764	6.7
201.16382	21.5
203.14252	2.5
203.18042	2.5
205.15784	7.4
207.13776	4.8
209.13344	3.2
209.15225	3.4
213.16351	3.7
215.17844	3.3
219.17358	4.7
221.15346	16.3
223.14796	3.5
225.16411	3.2
227.17883	5.7
239.17953	3.9
247.16920	10.2
253.19608	5.0
271.16727	2.6
286.19220	2.8
287.19785	3.6
299.19992	4.8
300.20883	3.4
313.21646	3.3
389.32019	16.0
407.32986	13.2
409.30920	3.3
435.32553	29.0
453.34201	3.2
473.20981	2.6
599.40686	6.7
617.41315	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.5128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
55.05499	15.1
57.03422	8.0
57.06802	2.7
57.07064	28.0
62.46600	1.6
66.52126	1.6
67.05493	37.2
69.07056	20.9
70.93991	4.7
71.04966	3.1
71.08620	23.4
72.85598	1.9
73.69649	2.1
78.98260	1.9
79.05480	22.4
81.03356	1.8
81.07039	35.8
83.04992	1.9
83.08605	13.1
85.06526	3.8
85.10161	13.0
87.04413	2.2
91.05463	29.1
93.07029	31.9
95.04943	3.2
95.08591	31.6
97.06527	4.0
97.10162	9.1
99.08097	2.9
105.07012	34.6
107.08582	16.2
109.06505	3.4
109.10125	18.0
111.11707	4.0
113.09631	1.9
117.06969	9.2
119.08559	34.2
121.10102	14.3
123.11683	5.8
124.05322	1.6
125.09586	2.0
128.06091	2.1
129.06960	5.8
131.08539	16.5
133.10094	29.9
133.11017	2.7
135.11673	17.6
143.08543	5.6
145.10075	15.4
147.11664	35.6
149.13199	14.6
157.10117	7.3
159.11653	13.8
161.13228	32.4
163.14821	3.5
171.11668	9.6
173.13194	10.0
175.11168	2.6
175.14815	13.5
177.12575	2.3
185.13188	10.7
187.14778	3.4
199.14772	5.9
213.16418	2.3
231.20982	10.0
237.21991	3.0
241.19456	42.2
259.20535	97.9
267.26828	4.2
314.51376	1.7
315.23123	6.9
333.24197	51.3
341.30460	100.0
347.25232	2.1
418.94278	2.1
503.83792	2.3
505.38748	25.2
506.39218	3.6
519.40454	2.3
599.50177	9.9
617.51459	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	618.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.1
55.01838	3.3
55.05275	2.5
55.05504	40.2
55.41388	2.0
57.07063	7.5
65.03922	6.2
67.05141	2.7
67.05495	36.0
68.05846	2.1
69.03425	11.7
69.07055	23.1
70.74472	4.8
71.04959	6.7
79.05480	44.3
81.03384	5.1
81.07040	67.2
83.04971	18.5
83.08607	66.1
85.06519	9.1
87.04448	4.8
91.05460	62.7
93.07026	65.9
94.07337	2.5
95.04955	27.8
95.08590	46.3
96.08926	3.7
97.06519	25.0
99.04437	6.0
103.05441	7.1
105.07013	96.4
106.07327	4.6
107.04929	6.6
107.08576	80.8
108.08875	2.6
109.06499	16.3
109.10149	27.3
110.10422	2.5
111.04401	2.3
111.08057	6.0
113.09618	8.6
115.05436	6.4
116.06189	3.0
117.06989	21.3
119.04919	19.0
119.08562	100.0
120.05235	4.4
120.08816	4.9
121.06509	12.5
121.10126	51.9
122.10488	3.2
123.08044	17.9
123.11674	7.6
125.09599	12.6
128.06175	15.3
129.06989	23.6
130.07753	8.9
131.08546	47.1
132.08983	3.6
133.06451	3.1
133.10106	54.6
134.10350	5.0
135.08025	12.3
135.11676	19.6
136.11998	3.6
137.09612	7.3
139.11189	12.8
141.06975	11.0
142.07771	26.9
143.08536	48.3
144.09358	13.6
145.06445	6.3
145.10100	83.5
146.10565	2.8
147.04372	54.2
147.08041	13.1
147.11661	29.4
148.04723	19.9
148.12004	3.2
149.09612	17.4
149.13260	7.0
150.13562	3.2
151.07523	8.8
153.07104	2.9
153.09087	2.7
154.07742	4.1
155.08568	19.7
155.10582	11.1
156.09334	24.7
157.10115	57.6
158.10825	10.0
159.08034	15.0
159.11650	35.7
160.08763	12.8
160.12067	6.0
161.09633	12.3
161.13223	9.0
163.11154	7.6
163.14799	4.0
165.05470	5.7
165.06966	7.6
165.09113	5.5
166.05756	3.0
166.07808	3.9
166.09409	2.4
167.08559	15.0
167.10660	20.3
168.09325	7.3
168.11209	3.6
169.10100	34.0
170.10854	11.0
171.08044	3.5
171.10199	4.4
171.11639	39.3
172.12076	4.2
173.09630	8.3
173.13240	20.7
175.11151	8.8
175.14778	9.9
176.15190	4.5
177.12744	2.8
177.16486	3.6
179.08545	12.4
179.10635	2.1
179.14221	7.1
180.09299	4.7
181.10153	16.5
181.12180	23.1
181.13625	3.2
182.10860	9.2
183.11652	25.2
183.13248	2.7
183.13834	2.5
184.12364	6.4
185.09605	4.5
185.13222	20.5
186.13737	7.2
187.11139	7.3
187.14821	12.8
188.15100	2.4
189.12715	9.6
189.16385	8.5
190.13467	3.3
190.16699	2.7
191.08646	2.5
191.14304	10.3
191.17929	3.9
192.09332	3.9
193.10127	8.9
194.10883	12.9
195.11674	27.7
196.12408	9.9
197.09557	4.5
197.13229	32.9
198.13972	4.1
199.11191	5.7
199.14743	17.6
200.15245	4.6
201.12711	5.5
201.16350	13.0
202.16643	4.7
203.14246	8.1
203.17949	6.0
204.14561	3.4
204.18118	2.5
205.15805	2.7
206.10896	6.0
207.11681	15.5
207.13811	7.1
208.12392	6.9
208.14471	6.0
209.13246	23.2
209.15289	4.6
210.13907	7.4
211.11215	5.7
211.14844	20.8
212.15523	5.1
213.12656	7.8
213.16374	5.7
215.14305	15.7
217.10126	3.1
217.15828	2.6
218.10733	3.1
218.16583	4.1
219.11665	5.8
220.12422	5.1
221.13200	13.9
221.15353	27.7
222.13808	3.6
222.15726	8.3
223.14784	17.3
224.11891	2.6
224.15570	2.9
225.12686	6.3
225.14781	7.6
225.16437	6.9
227.14253	5.9
227.17906	2.9
230.10843	3.6
231.11559	2.6
231.17397	6.1
232.12361	2.8
233.13167	8.5
233.15297	34.4
234.13873	4.5
234.16072	2.9
235.14780	11.2
235.16882	3.3
236.15579	2.9
237.16341	9.9
239.14288	3.4
239.17856	4.6
245.13179	4.0
245.15465	4.9
246.16107	4.9
247.14749	7.8
247.16954	6.3
249.16539	5.3
251.14268	2.8
251.17923	4.4
253.15721	5.1
253.19537	3.3
255.17412	26.8
257.13214	3.5
257.18967	4.0
259.14734	6.3
260.15347	2.7
261.16281	5.0
263.17889	5.7
265.19373	6.5
267.17368	3.2
268.18140	3.3
269.18835	3.5
270.19705	7.0
271.17038	2.7
271.20471	3.6
273.16171	4.1
275.17810	6.4
277.19394	2.7
279.20813	2.5
281.18884	5.4
282.19525	2.9
283.14365	2.5
283.20554	4.8
285.18527	4.4
286.19266	4.4
287.20248	4.8
289.19379	3.3
294.19751	3.2
295.20547	4.4
297.18573	3.2
298.19342	4.0
299.20099	7.1
300.20694	3.5
301.19290	3.3
311.20050	3.0
317.22443	2.3
331.24054	3.0
333.22064	3.7
337.25104	5.7
345.21964	3.9
347.23672	4.5
349.25183	5.0
359.23700	2.9
360.24319	3.0
365.24710	7.7
367.26361	5.0
383.25687	6.7
390.32208	3.6
399.26794	4.3
408.33350	6.0
435.32242	6.5
436.32901	14.8
454.33795	5.9
464.68057	2.8
553.55359	2.2
559.23401	3.5
582.40552	3.0
590.64227	2.6
600.41644	6.3
618.42200	23.8
619.36621	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	619.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.5
51.02367	0.9
53.03936	3.4
55.01863	6.1
55.05503	1.6
57.03430	2.0
60.50945	0.4
61.02911	1.6
61.49017	0.4
65.03935	3.2
67.05502	2.7
67.05789	0.5
68.99786	2.0
69.03422	11.6
69.07063	0.5
70.00471	2.8
71.01329	0.7
71.04985	2.1
73.02921	2.8
77.03911	0.7
79.05482	4.8
81.03404	17.5
81.07047	2.3
83.04963	1.1
85.02892	19.7
87.00810	6.7
87.04458	0.6
91.03934	0.7
91.05466	2.7
93.07041	1.9
95.01321	0.8
95.04945	2.7
95.08573	2.0
97.02870	7.4
97.06525	1.2
99.04433	4.0
99.08062	0.6
103.05460	1.5
105.01853	4.0
105.03365	1.1
105.07019	2.0
107.04946	1.1
107.08585	1.8
109.02861	11.6
109.06485	0.6
109.10153	1.4
111.04440	1.5
115.05434	3.8
117.01842	2.0
117.06987	1.7
119.04900	3.4
119.08562	1.6
121.06502	0.8
121.10123	1.9
123.04407	1.3
123.11708	0.5
127.03897	14.2
128.06154	2.4
129.01830	1.1
129.06979	13.0
131.04915	2.7
131.08571	2.0
133.06488	0.5
133.10080	0.8
135.04393	100.0
135.11644	1.1
136.04716	0.8
137.05949	0.7
137.09731	0.5
139.03882	1.1
143.04901	2.6
143.08559	0.7
145.04939	2.6
145.06535	2.5
145.10065	1.2
147.03033	0.8
147.04372	8.0
147.05452	0.8
147.11627	1.1
149.02316	73.5
149.09607	0.7
150.02663	0.7
151.03870	3.4
155.04868	0.8
155.06003	0.5
157.06470	12.1
157.07570	0.5
159.02875	4.7
159.04381	2.5
159.11620	0.8
160.05179	0.7
161.05978	1.8
163.03876	5.0
163.11156	0.8
165.09097	0.7
171.04372	2.3
171.08032	0.4
172.05139	0.7
173.05945	5.1
173.13214	0.8
175.03932	1.1
175.07541	1.3
175.14883	0.6
177.05406	4.8
179.03285	0.5
183.04407	1.2
185.05965	3.9
186.06731	0.9
187.07512	12.1
189.05444	5.1
191.08534	2.2
193.10280	0.5
201.05434	23.9
203.06999	5.2
203.08514	0.8
205.15773	0.6
207.08113	0.6
213.05534	2.4
219.06073	3.0
219.08331	4.1
219.13753	0.9
229.06319	0.6
231.06506	16.6
235.07501	1.3
237.09126	0.5
247.07545	4.8
249.07529	2.5
252.04254	0.6
259.07556	3.9
262.06232	1.4
263.07016	1.1
265.08585	1.4
275.06973	2.4
277.08572	7.2
280.07153	0.7
281.04456	1.6
282.05203	4.4
287.06863	2.3
290.05795	0.7
292.07281	0.6
293.08008	3.2
301.14111	0.5
305.08008	8.0
306.08444	0.7
307.09637	4.1
309.45157	0.5
317.08075	4.5
320.06754	0.7
323.09109	13.3
324.09283	0.7
325.10538	0.5
333.08032	0.5
335.05011	1.0
335.09088	20.1
337.10675	2.0
341.10126	3.2
353.10147	47.8
354.10480	1.1
355.11771	3.2
371.11212	23.3
372.11429	1.0
439.32101	0.6
457.33041	0.7
527.50073	0.5
601.29449	0.5
619.31024	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	619.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.5
55.01851	3.9
57.03412	2.4
61.02913	1.4
62.22038	1.0
67.05495	1.0
67.41249	1.0
68.99761	2.0
69.03419	14.9
69.07048	1.3
70.06570	1.2
70.24616	5.1
71.04978	2.1
73.02900	3.1
78.04682	2.7
79.05482	12.0
81.03407	13.7
81.07043	2.1
85.02895	18.5
85.06489	1.2
87.00820	7.9
91.05476	7.6
93.07027	3.1
95.04944	5.1
95.08601	2.2
97.02881	10.0
98.06881	1.1
98.21371	1.2
99.04434	3.9
103.05433	5.1
105.01862	5.3
105.07023	11.7
107.04944	22.3
107.08548	1.2
109.02166	1.6
109.02859	11.4
115.05466	6.8
117.01801	1.5
117.03365	1.2
117.06993	2.2
118.04163	2.2
119.04922	2.1
119.08551	5.0
121.06512	1.9
122.03677	1.1
123.04448	6.5
124.05203	4.3
124.83595	1.2
125.05986	2.2
127.03909	14.7
128.06204	3.8
129.06973	4.9
131.04955	6.6
131.08488	1.7
132.05679	4.8
133.06444	7.9
133.10066	1.4
135.04416	3.3
137.05994	4.2
137.09599	1.6
141.06979	3.0
145.02794	2.0
145.04936	3.7
145.06447	2.5
145.10100	1.5
147.04376	5.2
147.08046	6.6
151.03914	2.7
152.04665	2.2
153.05400	1.5
156.05699	1.3
159.02872	4.0
159.04271	1.1
159.08022	4.3
160.05113	3.0
161.05965	10.9
163.03893	16.4
167.07022	100.0
168.07372	1.9
169.06505	2.7
171.08072	1.3
174.96217	1.1
175.07526	57.5
176.04588	1.6
176.07838	1.2
177.05382	2.6
184.05122	2.1
187.07538	11.9
189.06975	2.2
189.09009	1.5
190.07661	3.3
191.06987	15.1
191.08527	2.1
193.08580	32.9
196.80077	1.1
199.07524	15.3
201.09073	7.5
202.07742	1.9
203.08501	5.1
205.08514	1.5
205.10207	1.3
207.08069	2.7
215.08537	3.8
218.07216	5.4
219.07974	3.1
221.09535	2.3
229.06604	1.6
231.04904	1.2
231.08035	3.6
232.08859	2.7
233.09700	7.5
234.06693	1.7
235.07486	2.1
238.06984	2.3
239.07014	1.2
243.08054	3.3
245.05969	1.5
246.06674	3.0
247.07439	2.9
248.07982	1.4
249.08986	4.4
250.06207	1.3
250.09879	2.5
251.07178	1.1
258.06693	1.6
259.07367	2.0
260.08289	4.8
261.09076	11.5
262.09692	1.6
263.07019	4.6
263.10172	1.7
273.09103	1.3
274.06424	1.8
275.07053	3.1
276.07831	1.5
277.08484	4.4
278.09305	4.2
279.09921	2.2
281.11676	2.7
289.08560	11.4
290.09259	2.7
291.06570	2.1
291.10071	1.5
292.07239	2.0
293.08459	1.4
293.11688	4.9
295.09341	3.3
305.07867	1.4
306.08792	3.5
307.09613	2.9
309.11145	3.8
320.10385	1.8
321.11215	20.3
322.11874	4.4
323.09207	2.3
323.12738	1.4
325.14240	2.3
326.11157	1.3
338.11307	4.1
341.13785	13.6
351.12109	1.6
353.13782	50.8
354.14267	2.5
355.15393	7.4
365.13849	1.5
429.88153	1.3
439.13120	1.4
619.29175	2.3
619.40002	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67187	0.5
55.05412	1.4
55.05643	0.7
57.07209	0.6
65.07523	0.8
67.05383	1.3
69.06972	0.8
69.48617	1.0
69.49014	5.7
79.05367	1.3
81.06902	1.9
82.77363	0.6
83.08501	1.2
83.16979	0.7
83.82201	0.6
87.04331	0.9
91.05367	0.7
91.27042	0.5
93.06911	0.7
95.08457	1.3
97.10025	0.7
98.20753	1.5
98.98328	1.1
105.06883	1.1
107.08439	0.9
109.10027	0.8
129.77989	0.5
147.60785	0.7
155.00891	0.7
211.13034	2.1
245.10661	0.7
311.25546	1.0
311.49594	0.7
385.14316	1.1
386.15561	0.9
399.15829	3.0
400.16974	4.0
401.17615	3.1
402.18857	0.8
412.17706	0.8
413.17706	3.5
414.14206	0.6
414.18448	6.0
415.19302	8.1
416.20197	0.8
417.20697	0.8
425.17563	1.4
427.19040	2.0
428.20218	4.6
429.21069	9.8
430.21286	2.7
439.18799	1.4
440.20090	0.8
441.16742	0.7
442.17719	1.9
443.18103	4.7
443.22458	4.6
444.18408	4.1
445.19855	1.6
455.18005	0.9
456.19196	1.8
457.20493	5.8
458.21127	4.1
469.16260	0.9
470.17117	0.8
471.22226	6.6
472.22925	5.2
473.19370	3.3
485.19608	1.9
486.20676	4.5
487.21042	2.8
488.21805	1.6
490.20050	3.0
499.21396	7.9
500.22177	2.9
502.20184	1.1
503.24316	4.5
516.21442	1.2
517.22198	1.1
527.20728	1.8
528.21405	0.8
531.23840	7.5
559.23315	100.0
560.23340	2.1
587.22852	15.2
619.25433	31.3
619.35687	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57583	1.5
51.02365	2.3
53.03936	13.2
55.01866	18.4
55.05503	42.8
57.03426	14.6
61.02906	1.6
65.01747	1.9
65.03939	3.3
66.57072	1.7
67.05494	46.0
68.58051	1.6
69.03421	27.2
69.07062	15.4
71.01330	2.6
71.04987	10.7
73.02882	1.8
79.05485	56.9
81.03404	100.0
81.07046	48.8
83.01319	2.4
83.04981	17.7
83.08615	28.4
85.02893	24.9
85.06541	4.6
91.05466	53.6
93.07027	37.3
94.37997	1.8
95.04951	42.5
95.08593	22.2
97.02878	23.7
97.06522	11.0
97.09563	2.8
97.10158	28.4
98.09289	1.5
99.04441	7.5
103.05450	5.6
103.36002	1.7
104.38212	1.8
105.07012	33.9
107.04939	27.1
107.08566	27.4
109.02866	30.5
109.06496	12.0
109.10155	12.2
111.04420	14.6
111.08059	7.9
113.02340	1.8
115.03925	1.8
115.05438	5.4
116.10732	1.7
117.03364	1.5
117.07008	19.9
118.21428	1.6
119.04939	6.8
119.08566	25.6
121.02853	3.3
121.06480	14.5
121.10132	17.2
123.04437	11.1
123.08057	9.8
123.11696	3.8
125.02363	15.1
125.05996	2.6
125.09604	17.8
126.15339	1.7
127.03913	12.5
128.06203	4.3
129.05479	3.1
129.06982	17.2
130.07709	2.1
131.04912	8.8
131.08543	18.0
133.06487	9.3
133.10107	14.6
135.04381	4.3
135.08057	8.4
135.11661	11.7
137.05960	4.7
137.09645	2.7
139.03989	2.4
141.07004	5.8
142.07779	2.7
143.08551	10.6
145.05383	2.1
145.06462	12.2
145.10097	16.3
147.04387	9.5
147.08040	7.0
147.11662	14.0
149.05998	8.2
149.09610	4.8
149.13235	2.1
151.11128	2.5
153.09091	3.0
153.12737	5.2
155.08557	7.6
157.06474	6.0
157.10118	10.2
159.04440	2.2
159.08107	8.9
159.11671	5.9
161.05905	9.2
161.09587	4.8
161.13191	3.2
163.03891	6.1
163.11154	24.2
165.05525	2.5
165.09106	2.1
165.12758	3.9
167.07068	1.7
167.08516	3.8
169.10143	3.9
171.08072	4.3
171.11687	6.3
173.04408	6.4
173.06001	7.6
173.09619	6.5
173.13269	2.7
175.07617	2.5
175.11147	6.9
175.14859	2.5
177.05391	2.9
177.12703	2.6
179.08467	2.5
181.10156	3.2
181.12225	6.6
183.08040	3.1
183.11710	2.5
185.05943	3.8
185.09657	4.3
185.13222	2.8
187.07568	2.8
187.11218	2.3
187.14845	3.7
189.05444	4.9
189.11220	14.5
189.12697	3.0
191.10693	8.3
193.12230	21.4
195.08078	2.3
195.11711	3.1
197.05923	1.9
197.09630	2.0
199.07552	2.9
199.11133	2.4
201.12709	5.9
203.14345	2.4
205.12251	3.3
209.11679	5.5
209.13406	2.5
211.07651	2.2
211.11356	3.6
211.13199	14.4
213.09137	3.0
213.12747	2.5
219.13748	2.3
221.13432	1.8
223.13271	2.8
225.09045	1.8
225.12708	1.7
227.12645	12.4
229.12366	2.0
229.87407	1.9
243.13766	3.4
247.13268	3.0
249.14755	2.5
255.13863	3.1
259.13202	4.9
267.16025	5.3
271.13345	3.2
273.14749	12.3
283.15436	14.7
285.14618	3.0
289.14346	5.8
299.12827	2.1
301.14310	13.1
303.15872	2.2
311.16431	5.8
313.14417	2.2
317.14221	2.4
319.15323	9.1
329.17566	2.4
337.16406	2.0
339.15762	5.2
353.15768	3.7
355.22672	2.1
357.16785	6.0
375.17917	5.1
377.16217	3.0
383.22192	11.8
391.17337	1.9
393.19061	8.2
401.22943	5.4
411.33548	2.0
449.23117	1.9
457.25623	3.5
473.23999	2.0
475.26941	9.6
493.27884	10.8
499.26776	3.2
509.25235	3.9
527.26007	3.0
529.27631	1.9
541.27521	2.4
545.27771	3.8
553.27509	2.7
565.28394	2.7
583.28992	15.5
601.29944	19.8
619.30859	91.6
620.31213	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	619.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	2.6
53.03941	11.9
55.01860	19.3
55.05503	58.3
55.18339	2.2
57.03424	14.8
57.07042	3.4
59.04980	4.2
59.05446	2.8
61.72036	2.2
65.03922	7.3
67.05495	63.1
69.03089	3.3
69.03421	38.2
69.07052	20.5
71.01366	3.6
71.04964	11.1
73.02879	4.2
79.05481	66.8
81.03405	83.6
81.07050	55.5
83.01312	5.7
83.04967	25.6
83.08605	29.8
85.02887	32.9
85.06550	5.2
91.05468	59.0
93.07034	50.6
95.01317	2.8
95.04951	58.9
95.08586	32.6
97.02867	22.7
97.06532	13.4
97.10163	37.0
99.04448	13.8
99.08050	2.5
103.05434	8.1
105.03372	3.6
105.07015	43.9
107.04935	31.5
107.08573	42.9
109.02856	19.9
109.06515	17.2
109.10126	18.1
110.53098	2.6
111.04425	18.7
111.08035	7.4
113.59723	2.6
115.05427	6.0
117.06984	26.4
119.04906	10.1
119.08569	33.0
121.02841	11.1
121.06482	18.1
121.10119	19.0
123.04396	18.1
123.08064	14.0
123.11674	4.0
125.02334	4.9
125.05940	5.0
125.09627	33.0
127.03901	13.4
128.06209	7.0
129.07008	19.4
130.07768	2.8
131.04922	12.1
131.08560	23.6
133.06476	15.7
133.10097	22.6
135.04373	8.0
135.08034	14.5
135.11684	19.5
137.05942	6.7
137.09566	3.8
141.06956	8.6
143.04921	2.8
143.08540	17.9
144.05775	2.9
145.06470	20.8
145.10110	25.3
147.04396	31.6
147.08023	9.5
147.11638	9.7
147.25621	2.8
149.05923	11.8
149.09573	8.5
149.13313	2.8
151.11128	4.4
153.06932	3.7
153.09102	9.1
153.12697	10.5
155.08534	10.4
157.06424	10.7
157.10118	12.9
159.04379	5.2
159.08025	11.0
159.11696	9.2
161.05907	15.8
161.09599	13.0
163.03886	10.7
163.11166	33.7
165.05504	2.7
165.06981	3.4
165.09161	3.6
167.08591	7.5
169.06465	8.0
169.10071	7.1
171.04381	4.3
171.08023	10.8
171.10231	4.0
171.11696	7.8
173.04509	4.4
173.05943	14.2
173.09602	11.1
173.13216	4.4
175.07497	6.8
175.11153	7.7
177.05525	3.9
177.12805	2.7
179.08557	3.4
181.06381	5.3
181.12201	7.4
183.08049	8.8
183.11673	5.8
185.05930	8.1
185.09586	6.7
185.13213	4.6
187.07542	10.3
187.11133	6.0
187.14729	4.5
189.05484	12.7
189.09138	4.5
189.11182	14.9
189.12712	4.4
191.10614	8.7
193.10254	2.9
193.12244	7.4
195.08057	5.1
195.11630	3.5
197.09586	7.5
199.07533	10.3
203.10658	2.8
203.14316	5.2
205.12190	9.1
207.13756	4.2
209.05974	2.8
209.09750	3.4
209.11624	5.8
211.07484	6.3
211.11067	4.5
213.05458	3.2
213.09065	5.0
213.12738	6.5
215.10541	2.6
219.13649	5.4
221.09425	2.8
223.07533	4.7
223.11153	5.4
223.13162	5.3
225.12772	3.1
227.10809	4.0
227.12607	16.4
229.12149	3.3
231.13814	7.9
235.13245	10.1
237.09245	2.7
237.12790	3.3
243.13760	4.4
247.13298	3.4
255.13817	7.6
258.42828	2.4
259.13144	3.5
265.12018	3.6
267.13525	2.6
271.13297	7.5
273.14825	35.4
275.20062	3.6
279.13870	3.1
283.15500	17.5
285.14804	4.7
289.14322	8.7
293.15442	4.2
301.14328	37.1
303.15970	4.4
311.16309	11.4
319.15439	10.9
327.16043	3.6
337.21704	3.5
339.15955	7.2
357.16940	6.9
365.21057	3.8
375.17960	10.7
383.22171	17.2
393.19006	7.7
401.23331	6.1
407.22083	3.4
425.23123	4.0
433.25711	3.7
439.31931	6.0
445.23773	2.7
449.23468	5.6
457.25800	6.7
457.33054	7.8
463.24701	3.0
467.24359	3.0
473.23721	3.5
475.26483	4.6
481.25787	3.3
487.26517	3.1
491.24301	13.5
499.26596	10.5
509.25122	10.4
511.27109	3.6
517.27338	4.5
527.26086	8.2
529.27209	3.3
541.27875	12.3
545.27264	5.1
553.27484	6.2
555.29504	3.4
565.27997	13.5
571.28619	9.0
578.18304	2.6
583.28906	33.1
601.29950	38.5
619.30865	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3983
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
51.67776	2.9
55.05501	11.7
57.07064	3.6
60.64580	3.3
67.05492	20.6
69.07050	12.9
69.76189	24.4
79.05475	9.4
80.65546	3.2
81.03387	3.4
81.07049	27.3
83.04965	5.3
83.08605	13.5
91.05466	23.7
93.07034	22.0
95.04955	6.3
95.08609	35.6
98.20699	6.4
105.07030	19.1
107.08592	27.1
109.10133	19.1
117.06945	4.1
119.04913	29.1
119.08546	28.0
121.10129	19.8
123.11706	5.4
131.08571	9.2
133.10129	22.7
135.11682	10.0
137.13155	3.5
143.08507	4.0
145.10121	20.0
147.04384	100.0
147.11711	16.8
149.13240	9.5
157.10107	9.5
159.11641	12.0
161.13251	9.9
163.14839	8.0
165.05475	28.2
171.11700	6.3
173.13255	8.1
175.14827	14.7
177.16376	12.8
181.12032	3.7
187.14792	4.1
189.16383	26.0
190.02719	3.3
191.17955	5.1
201.16393	17.2
203.17941	36.8
205.15930	5.1
207.13812	3.9
207.17323	4.3
215.17958	14.8
221.15343	4.5
247.16771	3.6
249.18556	6.7
365.99585	3.7
391.33578	4.6
400.16794	3.8
401.17688	4.3
409.34579	13.2
411.32596	7.0
415.19003	7.3
416.19742	4.8
429.21124	4.9
437.33899	22.6
457.19998	4.8
472.22549	5.3
499.21432	5.4
500.21930	5.1
508.20520	3.7
531.24469	5.9
559.23383	84.2
560.23309	17.3
587.22821	9.8
619.25458	23.5
619.43738	6.9
620.25739	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	8.2
55.68362	3.7
57.07049	4.7
61.85021	3.7
64.49583	4.0
64.52277	4.2
67.05484	11.0
69.07047	9.5
69.75702	34.7
79.05473	14.8
81.07047	25.1
83.08604	11.7
87.04448	5.9
91.05476	20.4
92.97073	4.2
93.07020	16.7
95.08579	32.5
105.07014	23.9
107.08575	32.5
109.10123	12.2
111.37665	4.4
115.66968	4.5
119.04944	26.7
119.08560	32.3
121.10121	27.7
123.11681	8.2
131.08516	8.6
133.10103	26.7
135.11682	18.5
145.10094	16.7
147.04381	100.0
147.11678	19.7
149.13234	12.2
157.10110	6.9
159.11707	16.8
161.13199	9.4
163.14827	7.3
165.05458	21.6
165.09157	6.0
173.13321	4.2
175.14784	14.4
177.16370	13.5
185.13184	4.4
187.14813	8.8
189.16350	24.4
191.17877	9.3
201.16336	24.4
203.17924	30.0
205.15784	11.7
215.17972	20.7
219.33041	4.9
221.15280	4.8
261.18405	8.0
329.28064	5.1
347.56729	5.9
391.33325	12.0
399.16074	5.4
400.17111	4.7
409.34781	6.6
411.32458	9.4
415.19073	11.9
428.19931	8.1
429.20670	12.3
437.34027	26.5
443.22864	5.8
444.18924	7.2
457.20102	8.8
458.21017	5.8
471.21835	9.9
472.22342	5.3
486.20261	5.8
499.21204	5.3
531.23907	8.2
559.23389	87.6
560.23486	24.2
587.22253	14.9
619.25586	23.4
620.25458	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	619.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16079	1.0
55.05510	4.7
57.07051	1.7
57.31978	0.9
58.96661	0.9
65.03922	1.1
65.25398	0.9
67.05503	5.8
69.07058	7.4
70.84772	1.0
70.85125	3.3
79.05471	3.6
81.07046	12.2
83.08601	8.0
91.05464	14.9
93.07022	8.9
95.08008	1.5
95.08591	24.2
97.10147	1.4
105.07005	12.9
107.08574	16.7
107.40947	1.0
109.06503	1.3
109.10143	10.7
117.06992	2.9
119.04918	24.0
119.08559	23.6
121.10129	17.0
123.11691	5.9
131.08537	4.1
133.10114	16.2
135.11664	10.2
137.13206	2.7
143.08510	1.6
145.10092	9.1
147.04385	100.0
147.11668	13.1
148.04672	1.7
149.13232	7.9
151.14825	1.2
157.10184	1.7
158.10768	1.3
159.11707	8.7
161.13245	7.6
163.14812	6.8
165.05457	29.1
171.11661	1.3
173.13258	4.4
175.14813	11.3
177.16354	10.9
177.99225	0.9
187.14803	5.4
189.16362	22.9
191.17918	4.3
199.14694	2.3
201.16362	20.5
203.17923	30.0
204.18343	1.1
205.15916	2.7
205.19542	1.4
207.17432	6.4
213.16331	7.2
215.17932	14.3
217.19499	1.9
223.16606	1.0
227.17738	1.8
229.19514	2.5
235.16945	3.2
241.19505	3.1
243.20999	2.8
247.16907	3.5
249.18411	2.0
253.19283	1.5
255.21094	2.1
259.16873	2.1
261.18454	6.7
267.21130	1.8
269.22598	1.8
309.25885	1.3
391.33542	8.2
394.28683	1.6
409.34506	11.7
411.32397	6.8
437.34061	31.1
438.34656	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3982
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
55.05492	3.8
57.07061	2.3
63.65067	0.9
67.05493	5.9
67.89215	0.9
69.07049	8.5
69.68407	7.4
79.05472	4.8
81.07037	14.2
82.90672	0.9
83.08619	6.9
91.05463	12.4
93.07018	10.3
95.04948	1.2
95.08591	25.0
105.07015	13.1
107.08582	22.1
109.06463	1.5
109.10132	8.8
111.08070	1.1
117.06983	1.2
119.04923	26.1
119.07742	1.5
119.08564	25.1
121.10133	18.6
123.11696	10.0
131.08549	5.1
133.10112	19.8
135.11661	12.1
137.13245	2.9
143.08557	3.0
145.10097	11.6
147.04385	100.0
147.11667	11.9
148.04768	1.1
149.13231	8.1
153.09058	1.9
157.10112	1.4
159.11682	10.1
161.13269	8.5
163.14822	6.1
165.05453	29.4
165.09059	1.0
167.18596	1.0
171.11652	1.7
173.13263	4.4
175.14821	10.3
177.09096	1.7
177.16348	13.2
183.11699	2.2
185.13300	1.8
185.49753	0.9
187.14751	4.6
189.16364	17.4
191.17862	6.8
197.13205	1.5
199.14754	2.4
201.16394	14.4
203.17929	25.5
204.18326	1.1
205.15880	4.2
207.17371	2.5
213.16333	4.0
215.17929	16.4
217.19521	2.1
229.19537	2.1
231.17390	1.2
235.16899	3.9
241.19521	1.8
243.21030	2.2
247.16850	6.2
249.18474	2.4
253.19501	1.3
259.16721	1.2
261.18488	10.2
266.33789	1.0
267.21075	1.1
269.22549	1.2
283.24258	1.1
287.19836	1.3
295.24106	1.8
299.19684	1.2
301.21457	1.6
307.24164	1.2
315.23303	1.7
355.26422	1.3
365.31891	1.2
391.33548	5.2
394.28412	1.6
409.34570	6.9
411.32336	6.4
437.34073	24.6
438.34372	1.0
455.36041	1.1
472.78894	1.1
559.23285	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.2
55.05499	7.2
57.07064	3.3
67.05492	9.7
69.07062	7.4
71.15907	3.1
79.05486	8.0
80.91040	1.1
81.07047	15.0
83.08610	6.6
86.29420	1.1
88.98830	1.5
89.05989	2.1
91.05470	19.7
93.03078	1.1
93.07029	14.5
95.04958	3.4
95.08590	29.5
97.10130	2.0
105.07018	17.6
107.04949	9.4
107.08575	26.3
109.10132	14.0
111.08090	1.3
117.07014	2.3
119.04924	24.4
119.08579	28.7
121.06448	3.6
121.10115	21.6
123.04427	2.1
123.11662	7.9
124.11956	1.2
128.06210	1.5
129.06952	3.4
131.08528	6.5
133.10097	21.2
135.11662	11.7
137.13185	2.0
143.08569	5.9
144.09361	1.7
145.10118	14.7
147.04387	100.0
147.11656	13.7
148.04663	2.0
149.13245	8.3
153.09032	2.7
155.08546	1.3
157.10129	5.0
159.11687	13.0
161.13239	8.9
163.14775	6.7
165.05452	30.2
165.09120	1.4
167.08569	2.0
169.10219	2.5
171.11646	4.4
173.13235	6.3
175.14809	12.9
177.08992	1.6
177.16357	11.7
183.11613	2.1
185.13196	3.6
187.14790	10.0
189.16348	20.6
191.17964	6.1
193.12253	1.3
197.13174	2.3
199.14758	3.0
201.16344	16.1
203.17932	28.5
205.15863	6.4
207.17429	2.1
211.14908	1.8
213.16322	6.1
215.17938	16.1
217.19449	2.1
229.19542	2.1
235.16928	1.7
241.19540	2.5
247.16957	6.2
249.18419	2.0
261.18497	10.9
287.19986	1.3
289.21384	1.4
292.22104	1.6
313.21851	1.5
315.23221	1.5
391.33441	7.1
394.28555	1.5
407.33170	2.2
409.34558	7.2
411.32544	7.0
435.33023	1.5
437.34143	25.7
438.34317	1.9
521.36310	2.6
556.64545	1.5
559.23090	6.4
587.22614	1.5
619.25098	1.9
619.33929	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	9.2
53.87807	4.1
55.01866	5.6
55.05282	5.0
55.05505	66.5
56.40999	4.2
57.03419	7.5
57.07053	15.0
58.54314	5.4
59.22403	4.5
67.05493	43.8
67.51135	4.0
69.03425	9.7
69.06681	3.7
69.07056	23.7
71.04968	9.4
71.08611	5.0
71.71246	5.5
79.05476	44.1
79.90952	4.4
80.06229	4.6
81.07047	74.3
83.04981	21.2
83.08608	80.2
85.06504	6.3
87.04436	9.3
91.05465	51.0
93.07034	75.1
95.04959	23.6
95.08589	49.8
97.06523	29.2
99.04444	5.6
103.05399	4.9
105.07013	100.0
106.71209	4.3
107.04920	7.6
107.08575	72.2
109.06496	20.2
109.10146	44.6
111.07996	7.5
112.70795	4.7
113.09604	12.1
117.06972	13.2
119.08561	82.5
121.06458	11.0
121.10139	58.1
123.08067	27.2
123.11664	11.2
125.09583	14.8
128.06183	10.2
129.07004	8.3
130.07751	5.8
131.08548	38.8
133.06453	6.0
133.10104	57.8
135.08031	10.8
135.11650	14.6
137.09601	10.3
139.11165	19.9
141.06998	5.0
142.07733	17.9
143.08531	38.8
144.09303	12.9
145.10110	64.6
147.08035	13.2
147.11633	34.4
149.09618	7.8
151.07484	11.6
155.08537	16.4
155.10597	21.4
156.09290	13.5
157.10097	58.7
158.10843	7.0
159.11662	47.6
161.09624	6.9
161.13327	6.3
163.11163	20.8
165.09105	20.0
167.08517	7.5
167.10632	5.7
168.09232	6.1
169.10101	31.7
171.10249	7.2
171.11559	25.1
172.12180	7.5
173.13266	20.2
175.11115	7.6
175.14764	12.1
179.08571	10.3
179.14281	7.2
181.10222	5.8
181.12187	39.2
183.11588	22.7
185.13222	19.0
187.14799	10.3
191.14233	8.3
193.10155	7.7
194.10915	7.0
195.11668	15.0
196.12370	5.4
197.13202	24.4
199.14790	19.9
201.16451	8.9
203.14238	6.7
207.11661	8.6
207.13676	10.7
209.13188	15.2
209.15109	5.2
211.14793	13.3
213.16371	5.4
215.14282	5.7
220.12460	5.2
221.13290	10.3
221.15277	51.5
223.14763	10.7
225.12819	7.1
225.14778	26.2
225.16614	6.7
233.15202	23.2
235.14655	6.1
235.16809	6.7
237.16315	9.1
247.16988	8.7
251.18184	6.0
251.66602	4.9
261.16296	5.9
277.19629	6.3
283.20477	10.9
287.19998	8.9
299.19925	5.5
300.20715	8.7
301.21402	12.4
311.25577	4.7
319.20468	4.8
352.23734	7.1
353.24261	10.8
355.89899	4.6
367.26266	12.0
459.30658	5.7
491.33496	5.8
529.46417	4.7
539.36505	15.4
559.23297	13.5
583.41156	10.4
601.42572	16.5
619.25317	6.0
619.43433	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	6.2
53.03935	5.1
55.05506	72.8
57.07060	25.2
67.05486	49.8
69.03416	12.4
69.07036	29.7
71.04968	9.1
71.08614	6.6
71.72125	6.9
79.05473	46.2
81.03362	6.7
81.07043	94.8
83.04960	13.9
83.08158	9.4
83.08607	100.0
85.06516	11.6
87.04459	14.3
91.05472	65.3
93.07035	80.2
95.04935	28.9
95.08586	47.7
97.06510	28.2
97.10164	9.2
98.98426	9.3
99.04458	10.6
103.47284	5.1
105.07019	97.5
107.04906	10.9
107.08577	94.6
109.06500	21.8
109.10143	44.9
111.08031	11.8
111.11745	6.0
113.06033	5.8
113.09633	16.5
117.06996	27.8
119.08558	91.9
121.10114	59.9
123.08048	33.2
123.11669	12.4
125.09570	24.8
128.06174	8.1
129.06987	19.3
131.08525	38.2
133.10118	74.4
135.08046	10.0
135.11659	20.6
137.09613	12.3
139.11153	19.7
142.07767	17.9
143.08536	39.7
144.09259	9.1
145.10120	83.8
147.08022	13.5
147.11664	40.4
149.09607	11.4
149.13290	7.8
151.07501	7.9
155.08546	15.4
155.10632	21.5
156.09303	16.9
157.10114	52.2
158.10843	6.3
159.11664	45.8
161.09557	6.5
161.13254	11.4
163.11148	12.4
165.09077	9.6
165.12733	9.2
167.08614	7.8
167.10576	9.6
169.10129	25.5
170.10834	6.2
171.11607	40.7
173.13258	27.0
175.11206	10.8
175.14810	18.8
179.14299	8.8
181.10130	11.9
181.12206	34.4
182.10857	7.4
183.11687	23.7
185.13208	17.4
187.11102	6.9
187.14812	10.6
187.51604	5.4
189.12582	7.0
191.14345	13.2
195.11630	14.6
195.13643	4.8
197.13239	21.5
199.14790	21.7
201.12566	6.0
203.14308	8.0
207.11681	15.9
207.13649	11.1
208.12404	7.7
209.11613	6.8
209.13281	19.6
209.15207	7.4
211.14825	12.3
213.16400	6.9
221.13269	13.4
221.15349	59.0
223.14694	8.7
225.14822	22.5
233.13306	7.6
233.15356	20.8
235.14790	8.6
237.16393	6.6
247.14651	7.1
261.16272	8.1
287.20187	11.8
413.17236	6.0
444.19101	7.7
452.57202	6.0
457.57147	5.6
473.19724	6.3
501.95322	6.3
507.40475	8.9
521.37799	17.2
539.36694	8.4
559.23376	76.8
560.23810	11.7
583.41418	15.8
587.22351	18.4
601.42377	10.9
619.25146	27.3
619.43359	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	621.2692
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
59.78526	0.9
71.63856	1.1
79.13803	0.7
89.07075	0.7
169.84161	0.8
186.29926	0.8
209.10678	1.1
221.10875	0.9
223.12224	1.0
375.16052	1.9
387.16306	1.9
388.17050	1.1
389.17575	6.0
390.18311	2.8
391.19550	1.0
401.17624	2.1
402.18710	1.1
403.15451	1.1
403.19360	9.2
404.20187	5.1
405.20657	6.5
415.19406	2.1
416.15924	1.6
416.20538	1.4
417.17056	6.6
417.21069	4.0
418.16760	1.1
418.21527	2.8
419.22363	16.6
420.22894	1.8
430.17929	2.4
431.17932	13.1
432.19125	6.6
433.20172	6.7
443.18768	1.2
444.20148	1.2
445.20062	13.8
446.20929	17.0
447.21729	24.6
448.22427	2.7
458.21170	1.4
459.22720	5.7
460.22507	2.9
461.19327	3.4
463.21552	0.9
473.18964	1.8
473.23978	2.2
474.20291	15.7
475.21222	20.1
476.21500	1.1
477.23431	1.2
478.23752	1.3
487.21115	8.1
488.21893	2.1
491.20096	3.9
501.22830	5.0
505.26166	2.7
518.23029	1.5
519.21100	0.9
529.22736	1.1
533.25464	37.9
534.26025	2.1
546.22729	1.5
561.24902	48.3
562.25189	2.8
589.24481	1.7
593.27405	6.1
621.26990	100.0
622.27484	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	621.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00877	0.3
53.30062	0.3
56.26376	0.3
79.09351	0.3
94.06461	0.4
98.21441	0.7
99.61973	0.3
112.00564	0.3
118.34959	0.3
196.09854	0.3
205.59892	0.3
207.09061	0.4
208.09720	0.4
209.10583	0.9
221.10797	0.4
223.12318	0.4
249.10014	0.5
286.13342	0.5
293.12692	0.4
338.16278	0.4
363.16516	0.3
371.14279	0.4
373.14365	0.5
374.15417	1.0
375.15955	1.3
376.16992	0.3
386.16403	0.4
387.16052	1.0
388.16846	1.7
389.13556	0.4
389.17578	4.0
390.18436	1.9
391.18741	0.9
400.17130	0.4
401.18118	2.2
402.13766	0.5
402.18701	2.3
403.19376	7.2
404.19983	4.2
405.20782	2.9
407.33450	0.3
413.17560	0.4
415.15164	1.2
415.19284	1.3
416.15286	2.0
416.20370	1.1
417.15985	5.3
417.20901	3.5
418.17392	1.3
418.21423	1.6
419.22360	9.8
420.22635	0.9
429.16693	1.0
429.21381	0.7
430.16904	2.4
430.22705	0.5
431.17953	8.9
431.23166	1.3
432.18933	3.8
433.20129	2.2
443.18625	1.4
444.19312	1.3
445.20129	8.6
446.20862	7.1
447.21759	13.2
448.22595	0.6
457.20584	0.5
458.21017	0.8
459.17398	1.5
459.21857	2.3
460.18057	0.7
461.19724	1.3
472.18842	0.4
473.19302	1.5
473.23953	1.3
474.20316	11.8
475.21225	16.8
476.21530	0.7
487.21246	4.8
488.22070	2.1
489.22818	0.5
490.23639	0.5
491.20782	0.7
501.22849	2.6
502.23413	0.7
505.25580	1.1
518.23523	0.6
519.23883	0.5
529.22363	1.0
533.25433	10.5
534.25629	0.7
546.22339	1.3
561.24890	83.7
562.25226	5.0
589.24286	2.9
593.27332	3.4
621.26990	100.0
622.27240	6.4
628.64557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.27
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
57.07075	0.4
62.96984	0.3
65.20505	0.3
69.91802	1.0
69.92235	1.0
70.89707	0.3
74.89343	0.3
79.05503	0.4
91.05498	0.3
97.53140	0.3
102.20352	0.3
121.61216	0.4
182.08322	0.3
195.09065	0.5
209.10805	0.7
221.10648	0.5
235.12389	0.5
243.18980	0.3
245.10916	0.4
246.77751	0.3
273.14185	0.4
362.16547	0.5
373.14572	0.7
374.15308	1.0
375.16052	1.3
387.16110	1.0
388.16599	1.7
389.17609	4.2
390.18457	2.0
391.19308	1.1
400.17548	0.4
401.17764	2.4
402.13831	0.6
402.18732	2.7
403.14597	0.4
403.19278	5.2
404.15424	0.3
404.20074	3.9
405.20865	2.7
413.17938	0.7
415.14743	0.7
415.19922	1.6
416.15588	0.6
416.20068	1.1
417.16849	3.0
417.20840	4.4
418.16910	0.6
418.22275	1.9
419.17435	0.5
419.22415	7.0
420.23135	0.9
427.19376	0.7
429.16403	0.7
429.21292	0.7
430.17828	1.5
430.22412	0.6
431.17780	5.4
431.23038	2.0
432.19440	1.3
432.24142	0.6
433.20239	1.3
441.20764	0.9
443.18640	0.9
445.20825	5.9
446.21152	4.3
447.21820	7.1
449.20114	0.4
455.89539	0.4
458.20569	0.3
459.17395	5.6
460.18839	1.3
461.19458	2.7
473.19809	2.2
473.24615	0.6
474.20383	9.4
475.21207	14.9
476.21973	1.3
487.21429	4.1
488.22095	1.2
490.23395	0.4
501.22839	3.6
503.20499	0.6
505.26520	1.8
518.23315	1.2
519.20471	0.5
529.21790	0.8
533.25610	7.7
546.22693	0.8
561.24890	32.5
562.25006	2.3
565.27417	0.5
589.24335	1.1
593.27991	0.5
621.27002	100.0
622.27399	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	621.27
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.25588	0.2
66.74751	0.2
67.05418	0.3
69.50119	0.9
69.50549	0.7
75.78732	0.2
79.05415	0.4
81.03323	0.2
81.06977	0.3
83.87615	0.2
91.05394	0.5
93.06935	0.2
95.08495	0.3
105.06916	0.3
109.09982	0.3
119.08453	0.2
119.95512	0.2
121.13641	0.2
133.10031	0.2
143.08388	0.2
144.61325	0.2
145.09988	0.3
161.71539	0.2
164.59785	0.2
168.60307	0.2
197.10760	0.2
202.96352	0.2
204.06348	0.2
207.09096	0.3
209.10677	0.3
218.76341	0.2
219.09067	0.2
221.10538	0.3
235.12172	0.3
237.10202	0.2
251.11708	0.2
287.59967	0.2
311.14304	0.2
312.14780	0.2
324.14774	0.3
340.14114	0.2
366.15659	0.3
373.14594	0.5
374.15430	0.6
375.16098	1.0
376.17307	0.2
387.16077	0.7
388.16769	1.2
389.17636	3.2
390.18561	1.2
391.19507	0.9
400.17560	0.3
401.17703	0.8
402.13797	0.4
402.18918	1.1
403.19452	4.3
404.20135	1.9
405.20712	2.7
406.21643	0.2
414.18372	0.3
415.14731	0.4
415.19122	0.8
416.15247	1.2
416.20343	0.7
417.16046	4.0
417.20935	2.2
418.17490	0.8
418.21512	1.0
419.22333	8.0
420.23132	1.2
429.16147	0.9
430.17114	1.0
430.22659	0.3
431.18066	7.1
432.18994	3.2
433.20004	3.6
443.18481	0.5
444.19345	0.8
445.20068	6.3
446.20923	9.9
447.21719	14.6
448.22943	1.1
457.19745	0.5
458.20728	0.4
459.16916	0.9
459.21634	3.2
460.18393	0.9
460.22861	0.8
461.19458	2.2
462.20041	0.2
463.21198	0.5
473.19318	1.6
473.23752	1.2
474.20273	9.0
475.21182	11.7
476.21619	0.4
477.22729	0.6
478.23438	0.5
486.20255	0.3
487.21356	4.8
488.22009	1.4
489.22711	0.5
490.23453	0.3
491.19858	2.1
492.25067	0.8
501.22974	3.4
502.23398	0.5
503.20782	0.4
504.21271	0.3
505.25784	2.0
517.22150	0.4
518.22925	1.0
519.19360	1.1
529.21979	0.9
533.25439	21.1
534.25708	1.4
546.22876	0.6
550.25452	0.3
561.24902	29.1
562.25348	2.1
565.28369	0.5
577.24457	0.2
589.24231	1.2
593.27521	4.7
594.28070	0.3
621.26996	100.0
622.27289	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.1
51.84585	1.0
53.03930	8.9
55.01859	9.6
55.05498	23.4
57.03430	10.3
57.07069	1.5
58.16485	1.0
65.03934	2.7
67.05135	1.9
67.05489	33.2
67.11793	1.0
69.03404	15.3
69.07054	8.2
69.63168	9.4
71.01324	2.1
71.04979	8.3
73.02937	1.2
77.03930	1.1
79.05021	1.8
79.05479	36.0
81.03400	100.0
81.07037	36.9
81.37173	1.3
82.03683	1.1
83.04970	17.9
83.08602	16.8
85.02885	24.6
85.06515	3.0
91.05463	46.9
93.07027	26.5
95.04951	38.2
95.08587	16.2
97.02871	18.9
97.06499	5.8
97.10157	8.3
98.20620	1.3
99.04432	5.1
99.08073	2.4
103.05438	2.2
105.07006	30.8
107.04932	14.3
107.08575	15.1
109.02857	21.8
109.06500	8.9
109.10139	6.7
111.04414	12.3
111.08052	10.4
113.02415	1.1
113.05950	1.2
115.05438	4.4
117.06989	8.8
119.04915	5.0
119.08559	26.7
120.04556	1.2
121.02829	2.2
121.06496	7.8
121.10126	14.4
123.04420	7.1
123.08054	3.6
123.11678	3.0
125.02346	3.9
125.05943	1.4
125.09600	4.8
127.03903	11.3
128.06203	3.0
129.05521	1.5
129.06979	16.3
130.07738	1.2
131.04912	4.5
131.08542	17.2
133.06487	6.0
133.10112	16.0
135.04317	2.3
135.08043	3.4
135.11641	5.7
137.05962	2.9
137.09590	3.7
141.06996	2.6
142.07736	4.1
143.08511	4.8
145.06442	6.7
145.10077	8.0
147.04388	6.7
147.07996	6.9
147.11644	18.8
149.05959	3.3
149.09575	9.3
149.13206	1.3
151.07518	1.4
151.11195	1.7
153.12703	2.1
155.08543	3.5
157.06490	2.4
157.10094	13.6
159.04305	1.3
159.07988	2.8
159.11655	4.6
161.05966	4.3
161.09583	3.8
161.13234	2.0
163.03949	5.2
163.07524	1.2
163.11142	7.4
165.05513	2.1
165.06931	1.4
165.09067	2.2
165.12721	4.6
167.08604	1.7
169.10117	1.7
171.08089	3.4
171.11630	2.7
173.04457	3.4
173.06003	3.2
173.09601	2.8
173.13260	1.9
175.11139	11.6
177.05521	1.6
177.12781	2.2
181.06429	1.2
181.10120	1.7
181.12225	3.4
183.11613	1.3
185.09537	2.2
185.13281	2.7
187.14812	1.6
189.05453	3.0
189.09158	1.4
189.11151	3.4
189.12769	2.8
191.10585	2.5
193.12202	32.8
205.12224	2.6
211.11282	2.8
211.13248	36.1
219.13863	1.6
227.12654	5.2
231.13765	1.6
235.13264	3.4
237.12746	1.8
249.14836	2.9
255.13876	2.1
257.15546	1.2
259.13293	2.0
265.14410	1.9
267.15918	9.6
271.13287	1.6
273.14880	7.5
277.14450	1.5
283.12976	2.1
283.15695	1.4
285.16940	5.7
289.14435	2.5
291.15985	2.1
301.14230	10.1
309.16776	1.5
319.15396	5.8
337.16312	4.0
347.18546	1.2
355.17566	3.3
375.18085	4.4
385.23697	4.3
393.18951	4.6
403.24951	1.5
411.20081	2.9
459.27344	6.7
459.34497	2.9
477.28577	6.2
488.16559	1.1
495.29492	2.7
529.27399	1.2
533.23419	1.2
543.29694	1.5
547.29114	1.5
557.31384	1.2
567.29291	2.0
573.30225	1.5
585.30457	7.6
603.31189	6.8
621.32611	51.6
622.32867	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	621.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.2
55.01863	8.1
55.05503	18.1
57.03421	9.4
59.04977	1.1
61.99491	0.9
65.03921	2.3
67.05495	28.1
69.03411	15.8
69.07063	8.3
71.01353	1.2
71.04982	5.8
73.02928	1.0
79.05016	2.2
79.05479	31.6
79.47688	0.9
81.03404	100.0
81.07043	33.5
83.04968	13.7
83.08604	18.6
85.02898	20.2
85.06532	1.9
91.05471	39.4
93.07027	21.8
95.04955	34.4
95.05571	1.0
95.08596	12.1
97.02885	13.9
97.06527	5.0
97.10146	7.6
99.04460	2.5
99.08050	1.2
101.06007	1.4
103.05469	2.1
105.04554	1.4
105.07013	26.5
107.04926	13.4
107.08574	12.7
109.02863	21.5
109.06468	6.3
109.10173	3.5
111.04430	10.8
111.08070	9.0
113.05973	1.9
115.05435	3.3
117.07008	9.5
119.04908	2.6
119.08560	21.9
121.02844	1.8
121.06533	6.7
121.10125	10.8
123.04423	5.9
123.08054	3.8
123.11675	2.2
125.02322	2.1
125.09594	4.9
127.03889	7.2
128.06242	3.3
129.06981	12.3
131.04939	3.1
131.08549	13.9
133.06493	5.9
133.10115	9.5
135.04347	1.7
135.08009	4.7
135.11662	3.6
137.05949	2.4
137.09616	1.8
138.00507	1.0
141.06989	1.8
142.07764	3.5
143.08539	4.7
145.06473	4.5
145.10068	8.5
147.04375	5.3
147.07961	4.9
147.11662	15.6
147.12747	1.8
149.05977	3.4
149.09586	5.9
153.12782	1.9
155.08575	2.6
157.06488	2.2
157.10098	16.2
159.08069	3.3
159.11688	3.9
161.05980	2.9
161.09612	1.7
161.13200	1.9
163.03902	1.7
163.07552	1.1
163.11134	5.9
165.12752	4.1
167.08527	1.6
169.10074	1.5
171.08049	1.8
173.04501	3.7
173.05913	1.9
173.09578	2.1
173.13322	1.9
175.07588	1.5
175.11195	11.5
177.12735	1.4
179.08498	1.1
181.10179	1.0
181.12221	2.3
184.73701	1.0
185.06009	1.1
185.13278	3.0
187.07501	2.0
187.11353	1.4
189.05453	2.5
189.11140	3.2
189.12679	2.1
191.10683	4.6
193.12221	38.0
197.09578	1.7
199.14761	1.8
203.14319	2.3
205.12202	2.3
211.11357	1.6
211.13263	39.7
213.12773	1.7
217.12149	1.2
223.05208	1.1
223.13187	1.3
227.12627	6.1
229.14221	1.4
235.13272	3.8
247.13258	2.2
249.14902	3.9
255.13701	2.1
259.13419	1.8
267.15854	10.6
271.13373	1.6
273.14828	11.1
277.14349	1.3
285.16956	8.5
289.14264	1.9
290.94177	1.0
291.15863	1.9
300.17630	1.2
301.14227	12.0
309.16791	1.2
319.15436	6.8
337.16461	4.3
355.17548	2.8
367.22855	1.5
375.18079	4.7
385.23611	3.7
393.19104	3.8
395.42728	1.0
403.24893	1.9
411.20490	2.3
421.25986	1.6
459.27240	4.9
477.28375	5.3
493.26105	1.5
495.29401	5.0
511.27469	1.2
543.29523	1.7
547.28497	1.2
567.29633	1.5
573.30920	2.4
585.30634	7.6
603.31061	8.2
604.32764	2.6
621.32623	46.6
622.32947	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	621.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.6
53.84742	1.4
53.85963	1.3
55.01868	10.5
55.05503	26.2
57.03415	7.5
59.04990	1.9
61.02911	1.9
65.03926	5.0
67.05492	45.6
69.03411	17.0
69.07058	12.8
70.88960	3.2
70.89317	2.0
71.04976	10.0
73.02895	1.9
79.05481	49.8
81.03404	100.0
81.07041	52.4
83.01329	2.5
83.04967	28.8
83.08601	17.1
85.02891	18.1
85.06543	2.9
91.05463	67.2
93.07032	36.2
95.04951	29.6
95.08588	19.3
97.02877	19.8
97.06542	6.3
97.10172	4.7
99.04442	5.6
99.08082	2.0
102.50943	1.2
103.05457	2.3
105.07012	39.0
107.04939	18.6
107.08575	17.5
109.02844	16.8
109.06483	9.2
109.10136	7.5
111.04437	15.1
111.08043	7.2
115.05431	3.0
117.07002	12.0
119.04905	1.9
119.08554	24.9
121.06483	6.4
121.10103	11.4
123.04419	3.5
123.08077	2.2
123.11688	2.7
125.06026	1.2
125.09624	5.0
127.03893	14.6
127.07621	1.7
128.06229	3.6
129.06992	15.2
131.04948	1.5
131.08533	18.2
133.06506	4.2
133.10114	23.5
135.04407	1.7
135.08023	3.3
135.11667	8.4
137.09593	1.7
141.06935	1.9
142.07762	3.4
143.08560	4.7
145.06517	3.1
145.10086	10.4
147.04391	1.7
147.08035	6.3
147.11655	20.0
149.06039	1.6
149.09621	6.3
149.13280	4.7
153.12758	4.8
155.08565	3.6
157.06493	3.0
157.10121	15.1
159.07980	1.5
159.11754	4.6
161.06003	2.1
161.09633	2.0
163.03929	1.7
163.11156	15.8
163.14851	1.5
165.05582	1.6
165.06911	1.6
165.12781	4.8
169.10208	2.0
171.11687	3.1
173.04420	3.4
173.05836	1.4
173.09627	2.9
175.11165	14.0
177.12791	2.3
181.10194	1.4
181.12282	5.4
183.06616	1.4
183.11676	2.0
185.78131	1.4
189.11188	1.2
189.12784	2.6
191.10687	5.2
193.12204	34.0
195.11839	1.2
195.13785	2.8
201.09024	1.3
205.12294	1.5
209.11644	2.2
209.63417	1.5
211.11238	2.8
211.13261	38.2
213.12938	1.8
215.14247	1.5
227.12708	10.2
237.12727	1.3
245.15416	1.4
247.27856	1.3
249.14911	1.6
255.13789	3.0
267.15839	20.0
273.14883	4.2
283.15387	2.8
285.17154	3.4
301.14279	2.6
321.16953	2.4
337.16583	7.0
339.17984	3.6
355.17520	7.6
367.22531	2.5
375.18082	1.4
390.56464	1.3
393.19119	2.4
395.20703	2.3
411.20132	4.4
459.27521	11.3
459.34659	4.1
477.28525	9.8
567.29303	1.7
579.28802	1.6
585.30371	2.6
603.31525	8.9
621.32660	62.5
622.32996	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.3
53.03943	14.7
55.01865	15.8
55.05504	31.9
57.03432	11.1
57.07058	2.3
59.04984	2.6
65.03920	4.0
67.05495	58.8
69.03056	1.5
69.03415	25.6
69.07062	21.0
71.01327	2.4
71.04996	8.9
71.08586	1.3
73.02883	1.3
77.03979	1.2
79.05483	60.0
80.05830	2.7
81.03405	99.4
81.07044	75.5
82.03726	2.7
82.07362	3.2
83.01324	7.5
83.04970	29.9
83.08611	22.3
85.02891	14.7
85.06522	5.8
87.04453	1.6
89.06009	3.6
91.05469	51.2
92.05758	1.4
93.07033	63.9
94.07362	2.1
95.04958	24.3
95.08595	29.7
96.05276	1.7
97.02308	2.1
97.02879	19.4
97.06523	12.3
97.10156	7.0
98.20638	2.9
99.04440	9.5
99.08069	2.7
103.05442	2.7
105.03455	1.5
105.06328	2.2
105.07011	33.6
106.07343	2.5
107.04944	14.4
107.08578	35.5
109.02873	18.8
109.06514	11.1
109.10127	7.6
111.04414	18.8
111.08073	9.0
113.06018	1.3
115.05443	3.8
117.06998	18.9
119.04913	1.4
119.08560	23.3
121.02887	1.6
121.06490	7.0
121.10106	16.7
123.04353	3.5
123.08044	9.8
123.11700	5.8
125.05962	3.0
125.09593	4.8
127.03905	13.6
129.05495	1.7
129.06993	11.0
131.04921	1.9
131.08531	18.3
133.06517	3.1
133.08582	1.5
133.10098	11.7
135.04369	2.5
135.08034	5.7
135.11658	19.4
137.05991	1.6
137.09618	2.1
139.07486	2.1
139.11179	1.5
141.06961	2.6
142.07767	1.3
143.08543	6.2
145.06458	5.7
145.10095	17.4
147.04391	3.2
147.08034	5.5
147.11678	13.2
148.12073	1.4
149.02341	1.5
149.05989	1.9
149.09579	4.1
149.13240	12.2
153.09119	2.1
153.12708	6.6
155.08519	4.8
157.06459	2.1
157.10098	5.1
159.08038	2.3
159.11661	10.9
161.05992	1.5
161.09651	3.2
161.13257	3.0
163.11160	27.0
165.05466	2.2
165.12735	3.7
167.08507	1.7
169.10114	2.6
171.11681	2.6
173.04475	7.9
173.05809	1.6
173.09619	5.8
173.13234	2.3
175.11214	2.8
177.12756	4.8
179.08533	1.9
181.10123	1.7
181.12184	6.8
183.06535	2.3
183.08038	2.2
183.11717	2.8
187.07515	1.4
187.11107	2.3
187.14865	1.7
189.11169	3.4
191.10645	7.4
193.04834	1.7
193.12251	4.4
195.11951	2.2
195.13785	10.9
197.13310	2.1
199.14883	1.7
199.16896	5.0
207.13785	2.8
209.11671	9.2
211.13278	2.7
213.14857	3.2
219.13815	1.8
227.12750	14.4
229.97981	1.4
231.11745	1.5
231.14079	1.4
249.14746	2.5
261.14893	1.5
267.15942	3.3
269.17554	3.0
273.14917	2.2
273.18561	1.6
275.16461	2.4
283.15381	8.7
285.14795	1.8
301.14221	1.5
303.15900	2.0
321.16901	7.1
339.17960	11.1
340.18112	1.5
353.15939	4.0
367.22571	1.4
377.19470	2.3
385.23502	2.5
395.20651	7.6
409.18533	3.9
459.27148	6.3
477.28348	12.5
547.28650	2.1
561.24408	5.3
585.29858	1.5
589.23853	1.5
603.31323	6.0
621.32666	100.0
622.32983	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	621.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.8
53.03937	14.1
55.01865	15.5
55.05237	1.9
55.05503	33.2
57.03434	12.0
57.07077	2.6
59.04980	4.0
65.03917	4.2
67.05135	2.9
67.05495	60.8
69.03406	24.5
69.07063	20.5
69.97366	9.3
71.01331	3.8
71.04980	10.7
74.75476	1.2
79.05479	60.3
81.03407	100.0
81.07046	73.6
82.03726	1.6
82.07408	1.5
83.01308	7.5
83.04964	28.8
83.08609	19.4
85.02890	11.8
85.06520	6.0
91.05465	48.7
93.07028	65.3
94.07354	3.2
95.04951	24.2
95.08603	25.9
97.02882	21.6
97.06515	15.0
97.10141	5.4
98.21429	2.4
99.04437	9.8
99.08096	2.6
103.04009	1.7
103.05442	2.9
105.04493	1.6
105.07018	31.3
107.04931	13.0
107.08581	36.3
108.63398	1.3
109.02855	19.5
109.06499	10.6
109.10145	6.7
110.90762	1.5
111.04420	15.7
111.08074	7.6
115.05428	3.6
117.07001	19.4
119.04937	1.8
119.08554	18.9
121.06491	6.5
121.10119	17.8
123.04401	4.7
123.08064	7.6
123.11692	5.7
125.06010	2.2
125.09631	5.9
127.03904	15.2
128.06197	2.9
129.05562	1.7
129.06961	11.3
131.04941	3.7
131.08545	18.0
133.06470	4.3
133.10132	14.0
135.08032	5.0
135.11684	19.4
137.05875	2.6
137.09564	2.7
141.07008	3.6
143.08553	8.5
145.06464	6.4
145.10097	18.9
147.04369	2.4
147.08052	3.6
147.11668	10.8
149.06052	1.6
149.09665	3.1
149.13235	10.4
151.11166	2.1
153.09056	1.5
153.12723	8.7
155.08517	3.7
157.06447	1.7
157.10120	4.3
159.08040	2.4
159.11668	10.7
161.13213	3.4
163.11154	26.2
165.12766	3.4
169.10199	2.5
171.08038	2.8
171.11684	4.0
173.04410	8.0
173.09622	4.5
175.11101	2.1
177.12756	5.8
179.25334	1.5
181.10030	1.7
181.12216	6.5
183.06554	3.1
183.08052	1.9
185.13295	2.5
189.11182	2.8
191.10646	6.0
193.12238	4.4
195.11949	2.4
195.13794	12.0
197.13199	2.4
201.12729	3.6
204.81038	1.7
207.13864	2.4
209.11650	8.5
211.13205	2.3
213.14934	2.4
227.12730	14.9
233.15465	3.0
244.45430	1.4
249.14868	1.5
261.14771	2.0
265.14328	1.6
267.15930	4.7
269.17441	4.2
273.14932	2.4
273.18512	1.5
275.16525	2.1
283.15424	8.5
285.14651	1.9
303.16098	2.8
321.16965	3.3
339.17941	10.9
353.15964	8.1
367.22629	1.8
377.19800	2.1
395.20566	8.2
409.18460	3.3
459.27521	6.4
477.28461	14.4
523.34406	3.5
547.29865	2.2
585.30750	2.3
603.31757	5.2
621.32654	97.8
622.32971	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	621.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84718	1.3
54.90154	1.4
55.01869	3.6
55.05497	5.2
57.03423	12.0
57.07068	9.1
64.99859	1.7
67.05492	19.1
69.07058	5.9
69.36164	14.9
69.36583	3.1
71.08616	6.5
79.05485	9.5
81.03423	2.7
81.07037	9.4
83.04948	2.3
83.08597	4.4
84.68654	1.7
85.06525	5.3
85.10175	3.7
91.05468	9.0
93.07025	8.2
95.04958	19.8
95.08580	10.6
97.06528	2.3
97.10187	2.0
98.98460	1.7
105.06425	1.4
105.07009	8.0
106.09833	1.4
107.04936	4.4
107.08596	6.8
109.06501	27.1
109.10151	5.2
113.05994	11.5
117.07029	4.3
119.08575	5.3
121.06506	3.0
121.10098	2.2
131.08572	5.6
133.06509	2.1
133.10112	4.3
135.08043	22.0
135.11670	2.4
143.08546	2.2
145.10129	5.1
147.11639	1.9
149.13333	1.6
150.89763	1.5
157.10107	4.1
159.11705	3.2
161.09613	3.2
171.11665	2.2
177.12709	2.0
199.14842	1.9
211.13370	4.1
217.15872	7.1
225.13840	2.1
255.17398	2.0
273.18405	17.6
291.19510	48.8
292.19916	4.0
313.27335	22.8
340.77298	1.5
347.22018	3.6
365.23236	3.7
389.17587	2.1
403.19302	5.1
405.20886	2.3
416.20236	2.3
417.16699	4.0
417.21545	1.9
419.22202	7.1
431.18680	5.8
432.19156	3.6
445.20401	6.4
446.20911	7.6
447.21857	11.3
448.22537	2.4
459.21939	2.7
460.17941	1.6
461.19827	1.8
474.20172	7.6
475.21170	17.0
476.21967	3.2
487.21170	2.9
488.21698	2.2
491.20981	1.7
506.26373	2.2
523.39978	4.0
533.25470	9.5
534.25330	3.8
535.22839	3.2
561.24908	39.4
562.25293	10.1
585.44696	4.2
593.27502	3.0
603.46002	16.4
604.46448	1.9
621.26990	100.0
622.27533	39.9
631.10052	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
54.95174	1.2
55.01863	3.0
55.05499	11.7
56.08010	1.3
57.03422	3.4
57.07069	2.6
57.39879	1.4
58.99576	3.4
59.04983	1.8
61.02906	1.4
65.03932	1.9
67.05501	14.9
69.03420	6.3
69.07050	9.0
71.04987	2.0
74.00648	3.5
74.48981	1.7
76.02197	3.6
79.05481	14.6
80.05817	1.6
81.03407	16.6
81.07059	21.2
82.03744	3.7
83.04968	4.0
83.08609	8.6
85.02883	7.6
85.06511	1.6
86.00647	2.9
88.02207	2.0
88.03983	3.6
91.05450	19.3
93.07030	20.8
95.04961	14.9
95.08596	28.8
96.05253	1.8
97.02888	3.6
97.06523	2.3
97.10151	3.5
98.20744	4.3
99.08102	2.8
100.11248	3.4
103.05468	2.7
105.00034	2.2
105.07018	28.3
107.04936	2.8
107.08576	29.2
107.09246	2.8
108.05270	2.1
108.08910	2.0
109.02845	3.2
109.06496	3.0
109.10137	12.4
111.04423	2.4
111.08071	2.8
113.04205	1.5
114.03725	2.5
115.12001	1.6
117.06979	5.3
117.20300	1.5
119.07730	3.3
119.08563	55.5
120.01147	6.3
120.08929	3.1
121.06479	5.0
121.10137	21.1
122.02710	18.4
123.04419	3.1
123.08060	2.8
123.11696	4.3
125.04193	2.0
125.09616	2.5
127.03883	1.8
127.05696	2.1
129.07004	5.9
131.08560	26.5
132.01106	3.2
132.08850	2.8
133.06454	2.6
133.10104	25.7
135.08075	4.7
135.11632	8.8
142.07779	4.1
143.08557	12.6
144.09346	1.6
144.91028	1.5
145.06412	1.5
145.10110	43.7
146.10483	2.3
147.04430	2.8
147.08023	3.3
147.11678	15.4
149.09576	2.6
149.13225	3.8
151.05748	5.5
155.08492	4.4
156.09343	2.4
157.10120	18.4
158.10840	2.1
159.07959	1.9
159.11668	24.7
160.04305	4.3
161.05972	2.6
161.09576	2.1
161.13222	15.2
163.03896	3.3
163.07506	2.2
163.11179	2.9
163.14754	3.8
164.69669	1.7
168.13797	2.1
169.10054	3.6
170.10922	4.0
171.08035	1.5
171.11676	10.4
172.12424	2.3
173.09683	2.5
173.13235	34.5
175.11140	3.1
175.14812	20.8
177.16377	5.5
178.13029	1.6
181.10179	2.7
183.11641	7.8
185.13252	28.4
187.14786	39.0
187.16347	2.7
189.11174	1.4
189.12807	2.1
189.16351	6.2
191.10698	1.7
191.14333	4.1
193.12196	3.2
194.12582	1.9
197.13203	7.2
198.11087	2.4
198.13821	2.1
199.14793	17.0
201.12567	1.7
201.16359	18.6
203.14262	13.5
203.18005	3.7
205.15843	1.8
207.13815	1.8
209.13220	2.6
211.13245	4.9
211.14822	4.1
212.13570	2.7
213.12814	2.3
213.16350	7.1
214.08946	1.5
215.14316	3.0
215.17853	2.9
217.12317	1.9
217.15822	2.3
219.11913	2.7
219.13858	3.0
221.13235	2.2
223.14801	1.8
225.16330	3.2
226.08931	1.8
227.17882	2.5
233.15358	3.9
241.19545	1.7
247.16925	2.1
249.14885	5.8
251.17990	2.4
253.19449	3.0
271.05988	23.4
301.13980	2.3
302.14893	1.8
373.28754	2.1
375.30627	3.7
391.29898	5.2
393.31110	1.7
409.30881	1.6
419.29544	12.2
421.31094	3.2
437.30487	9.7
451.26410	2.7
465.29935	4.9
496.32425	3.3
497.67319	1.6
540.31451	12.3
542.32635	4.5
558.32428	20.2
560.33862	5.6
568.30017	2.0
576.32880	3.8
586.31805	14.0
604.32886	100.0
605.32538	5.2
622.33624	30.1
622.49091	4.9
623.34039	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.123
Annotation	Apigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
53.72420	0.1
57.03426	0.2
59.35891	0.1
66.23053	0.1
67.01852	0.5
68.99778	0.4
69.03419	0.2
71.01334	0.4
71.09949	0.2
73.02891	0.2
85.02898	1.1
91.05464	0.3
93.15186	0.1
95.01316	0.2
97.02898	0.1
103.03985	0.1
104.93759	0.1
109.02782	0.1
113.02341	0.2
119.04913	1.9
119.13616	0.1
121.02850	0.7
131.03383	0.2
141.01807	0.7
145.02818	0.7
152.34169	0.1
153.01805	4.4
159.02875	0.3
163.03873	0.5
171.02858	0.7
203.06976	0.2
215.06966	0.1
225.05357	0.3
229.04861	0.3
243.06491	0.3
247.05923	0.1
253.05013	0.2
254.05913	0.1
271.05963	100.0
272.06284	1.7
313.06931	0.1
337.07001	0.1
429.08054	0.1
447.09164	3.0
623.12372	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1233
Annotation	Apigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
53.00294	0.1
67.01858	0.5
68.99781	0.3
70.95405	0.3
71.01331	0.4
73.02882	0.3
80.30146	0.1
85.02882	1.1
91.05462	0.2
91.46534	0.1
95.01300	0.3
97.02888	0.2
99.00764	0.1
113.02354	0.4
119.04923	1.3
121.02818	0.6
129.01826	0.1
131.03329	0.1
139.44743	0.1
141.01807	0.7
145.02789	0.5
153.01804	3.5
153.03067	0.2
159.02884	0.4
163.03853	0.3
171.02867	0.5
177.03827	0.1
199.15509	0.1
203.07076	0.1
225.05396	0.3
229.04997	0.2
243.06512	0.3
247.05917	0.1
270.05069	0.1
271.05957	100.0
272.06314	3.3
283.06058	0.1
313.07114	0.2
429.08167	0.1
447.09155	3.5
448.09311	0.2
623.12415	1.9
624.12866	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	623.1239
Annotation	Apigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
57.03409	0.2
61.02911	0.2
67.01845	0.6
68.99812	0.4
69.03410	0.3
71.01325	0.3
71.33272	0.3
73.02892	0.3
75.22901	0.1
85.02459	0.1
85.02896	1.6
91.05460	0.3
95.01274	0.3
95.33430	0.1
97.02876	0.4
103.54112	0.1
112.80126	0.1
113.02399	0.2
116.89777	0.1
119.01889	0.2
119.04914	1.6
121.02861	0.7
127.03867	0.3
129.01932	0.1
131.03366	0.2
141.01826	0.6
145.02792	0.6
152.19077	0.1
153.01801	4.1
155.01869	0.2
159.02916	0.3
161.02876	0.2
163.03868	0.4
171.02896	0.8
171.53275	0.1
173.02899	0.4
175.02565	0.1
203.07091	0.2
225.05391	0.4
229.04948	0.2
243.06522	0.3
245.05058	0.4
247.06123	0.1
251.55913	0.2
271.05966	100.0
272.06302	2.5
273.08206	0.1
305.07245	0.2
313.07135	0.2
339.64630	0.2
407.10184	0.1
429.07901	0.2
447.09180	3.2
448.09830	0.2
623.12103	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95701	0.1
51.81624	0.1
51.89252	0.2
57.03418	0.3
69.03395	0.1
70.69372	0.4
70.69722	0.2
71.04981	1.4
75.04486	0.2
83.04962	0.2
85.02883	2.4
89.97938	0.1
97.02929	0.1
110.85458	0.1
129.05423	0.9
147.06508	0.3
153.01840	0.8
171.02841	0.2
175.03860	0.2
229.04918	0.3
258.05203	13.3
259.05585	0.4
271.05957	0.6
286.04669	34.5
287.05121	0.7
301.07007	100.0
302.07382	2.3
313.07303	0.2
343.08035	0.3
367.31546	0.1
477.10196	1.5
623.16113	1.3
649.39691	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	623.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	0.2
53.03937	1.8
55.01864	1.6
55.05497	0.8
57.03430	1.5
61.02922	1.2
65.03911	0.3
67.05496	2.2
68.99773	0.9
69.03423	6.5
69.07048	0.7
69.83755	1.3
69.84175	0.4
71.01376	0.3
71.04987	1.4
73.02908	1.4
76.73863	0.2
79.05485	1.7
81.03409	9.3
81.07056	1.9
83.01312	0.3
83.04955	0.6
83.08611	0.5
85.02895	9.8
85.06516	0.3
87.00325	0.3
87.00821	4.2
87.04448	0.3
91.03922	0.6
91.05474	2.3
93.07023	1.4
95.04935	1.1
95.08588	1.5
97.02882	3.9
97.06485	0.4
97.10126	0.4
98.20628	0.4
99.04443	2.4
99.08040	0.3
100.11220	0.3
105.01850	2.6
105.07018	1.8
107.04937	0.5
107.08606	1.4
109.02866	6.7
109.06505	0.3
109.10126	1.0
111.04421	0.5
111.08042	0.3
117.01821	0.8
117.06985	0.7
118.04141	1.0
119.04882	0.4
119.08585	1.8
121.02814	0.4
121.06479	0.4
121.10127	0.9
122.02730	0.2
123.04435	0.6
123.08084	0.4
123.11680	0.2
125.02333	0.3
125.09560	0.3
127.03899	7.1
127.04849	0.4
129.01817	0.6
129.07014	0.5
131.04927	0.3
131.08530	1.1
133.10123	1.1
135.04381	0.4
135.08008	0.5
135.11710	0.4
137.09525	0.4
141.06961	0.2
143.08556	0.3
145.04927	2.0
145.06020	0.3
145.06497	0.3
145.10097	0.9
146.03581	0.7
146.10411	0.3
147.02856	0.6
147.04387	0.6
147.07953	0.3
147.11664	0.5
149.05930	0.3
149.09659	0.3
149.13182	0.3
151.03917	1.2
152.04752	0.2
153.01808	0.6
153.05449	4.5
155.08595	0.3
157.10149	0.4
159.02866	3.1
159.11693	0.6
161.13182	0.3
163.03882	0.6
163.11125	0.5
164.04697	0.7
165.05457	0.4
165.09221	0.2
167.03383	6.2
167.06998	3.2
168.07808	0.6
169.10161	0.3
171.11681	0.4
173.13234	0.4
174.03014	0.3
176.04688	2.3
179.03368	2.0
181.08577	0.3
182.15408	0.2
183.11588	0.3
185.13193	0.3
187.14792	0.5
192.04134	1.0
193.04910	0.5
193.12178	0.5
195.06490	1.7
197.04480	0.7
197.13174	0.2
201.16377	0.4
217.05177	0.2
221.04449	0.4
221.08081	0.7
229.04839	0.4
231.05029	0.8
243.06448	1.4
247.05939	0.6
249.07536	0.4
257.08167	0.5
258.08774	0.5
271.05994	12.7
272.06573	0.4
273.07471	0.5
274.04758	0.3
275.05569	1.2
283.06061	0.6
284.06702	0.4
285.04010	0.7
285.07535	3.3
286.08258	0.7
287.09103	0.4
289.07147	0.5
296.06668	0.3
297.07425	0.3
299.05527	1.5
300.06409	0.2
301.07172	1.4
301.14038	0.2
311.05609	0.5
312.06140	0.4
313.07162	1.6
314.04568	0.3
314.07742	1.4
315.08478	2.5
316.05688	0.6
316.09399	0.5
317.06519	2.1
319.11731	2.2
327.04993	1.3
328.05795	0.4
329.06516	6.4
331.08002	2.5
332.08951	0.2
341.06705	1.5
342.07343	0.9
343.08151	0.9
344.08807	2.0
345.06000	5.8
345.10208	0.4
346.10446	0.8
359.07584	2.6
360.08319	2.6
375.10706	100.0
376.11136	1.4
417.11371	0.3
443.27722	0.4
447.09100	0.4
460.34698	0.3
461.29050	1.7
545.02185	0.2
587.32208	0.3
592.60321	0.3
604.32471	0.5
605.32843	0.8
605.41327	0.4
622.32629	0.3
623.34515	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01851	1.2
55.05267	0.6
55.05503	5.5
58.57911	0.5
67.05489	8.0
69.03394	0.5
69.07069	3.0
79.05482	5.0
81.03397	1.5
81.07043	6.7
83.04962	0.7
83.08595	2.3
91.05479	5.9
93.07028	5.2
95.04952	1.3
95.08587	5.2
97.06490	1.3
97.10143	2.2
105.07023	5.6
107.04930	1.2
107.08582	3.1
109.06499	1.0
109.10178	2.6
111.08047	0.6
115.05456	0.5
117.06989	3.1
119.08558	3.8
121.10146	1.8
123.11658	0.6
125.09618	2.0
128.06218	1.1
129.06985	2.1
131.08568	3.1
132.07979	0.5
133.10158	2.3
135.08090	0.6
135.11678	1.4
141.06941	1.4
142.07747	0.7
143.08527	2.5
145.10098	3.1
147.04419	0.5
147.11658	1.7
149.09618	0.7
155.08482	1.1
157.10127	1.8
159.08008	0.6
159.11681	2.2
161.13287	1.0
167.08517	0.7
169.10106	2.5
171.11665	1.2
173.13286	0.9
181.10100	1.6
183.11662	2.0
185.13274	1.2
187.11073	0.6
187.14816	0.7
189.11212	1.0
195.11659	0.9
197.13147	1.2
207.11627	0.9
209.10657	0.7
209.13173	0.8
211.14871	0.9
212.72197	0.5
218.83525	0.5
221.13246	0.5
223.12387	0.7
223.87012	0.5
225.78165	0.5
227.12775	1.1
233.10637	0.8
235.12328	0.7
235.14722	1.1
237.10141	0.6
237.13971	0.7
237.16409	0.6
239.18019	0.6
249.10231	0.6
257.18954	0.8
271.05997	3.3
275.20050	1.7
291.19647	0.8
298.13492	0.6
361.14996	0.8
363.16013	1.6
363.26880	0.5
364.17670	0.8
374.16293	1.2
375.16431	1.6
376.17126	1.3
377.17694	3.1
378.18091	1.7
379.19443	0.8
379.29910	1.2
385.15228	0.5
386.15305	1.6
387.15997	1.6
388.17386	1.4
389.17883	1.3
390.18570	1.7
391.14767	0.9
391.16141	0.7
391.19339	4.6
392.20013	2.3
393.20633	2.8
398.15552	0.6
399.16229	1.5
400.16852	1.8
401.17703	4.8
402.18405	1.3
403.19220	2.2
404.15637	0.7
404.20392	1.2
405.16913	2.0
405.21555	2.6
406.21771	0.8
407.17953	0.6
407.22388	4.2
411.15948	0.6
412.16733	0.8
413.17535	3.3
414.18527	3.1
415.19476	6.2
416.20425	2.7
417.16348	1.0
417.20822	2.3
418.17874	1.1
419.13785	0.9
419.18475	4.2
419.23132	1.2
420.19449	1.6
421.20139	3.1
425.17944	0.7
427.19293	2.0
428.20291	4.4
429.16208	1.3
429.21655	3.1
430.21860	3.3
431.18451	1.5
432.19907	0.8
433.15411	2.5
434.16849	0.8
435.22046	3.5
439.18781	0.8
440.20325	1.0
441.17358	1.5
442.17566	1.1
443.17841	1.9
443.22449	3.0
444.18857	4.0
445.19751	2.9
445.24789	1.0
446.21198	1.2
447.17181	4.3
448.18542	2.5
449.19345	2.5
455.18442	1.0
456.19547	1.1
457.19986	2.3
458.21118	3.8
459.17328	2.3
460.18073	0.8
461.19250	4.0
462.20383	3.1
463.20547	3.1
469.16547	0.7
470.17249	0.7
471.22418	8.9
472.18372	1.6
472.23471	1.3
473.19574	2.8
473.23969	2.0
474.20398	2.5
475.22385	3.5
476.18466	1.9
477.23181	1.0
478.19833	0.8
483.22208	0.8
484.18942	1.8
485.19867	3.3
486.20386	5.3
488.22278	1.0
489.23859	6.8
490.19385	5.9
491.19714	3.1
492.21490	1.1
493.22281	1.0
499.21274	19.6
500.21414	1.9
501.23138	7.5
502.19571	0.8
503.20657	5.3
504.20071	0.9
507.24216	2.6
511.21146	1.1
513.19244	2.6
514.19592	1.8
516.21814	1.2
517.22223	13.5
518.23456	0.8
525.35303	0.7
527.20874	3.4
529.22272	11.4
530.21814	0.9
531.20105	1.1
531.38690	0.9
532.21362	0.8
535.23535	5.3
540.24036	0.6
545.21729	54.0
546.21985	2.9
547.26740	2.3
549.24823	1.9
550.25751	2.3
555.20038	2.2
563.22729	6.8
564.23767	2.3
573.21277	16.6
574.21899	1.1
577.24475	0.6
579.29437	1.9
591.24469	1.0
595.25378	1.8
605.23822	100.0
605.41321	2.7
606.24139	6.1
623.24835	95.4
623.41119	12.2
624.25098	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	623.249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69676	0.4
55.01855	0.8
55.05495	1.1
57.03417	0.7
67.05497	2.9
68.21356	0.4
69.07047	1.4
69.62726	3.4
79.05493	1.8
81.07034	2.3
83.04976	0.6
90.84782	0.4
91.05463	3.2
93.07016	2.3
95.04948	0.8
95.08594	1.7
97.06506	0.8
105.06998	2.3
107.04961	0.4
107.08583	1.7
109.10226	1.0
117.07012	1.5
119.08566	2.3
121.06471	0.5
121.10103	0.6
129.06999	1.4
131.08560	1.9
133.10135	1.5
137.09612	0.4
143.08540	1.0
145.10146	1.6
147.11697	1.1
149.09613	0.6
151.11217	0.6
157.10144	1.1
159.11685	0.7
169.10089	1.1
171.11673	0.9
173.13348	0.4
183.11566	0.5
195.11842	0.4
221.13400	0.5
233.10733	0.6
247.12352	0.5
271.06021	1.4
275.20068	1.7
340.14346	0.5
353.03653	0.4
362.15564	0.7
363.16214	0.9
364.38794	0.5
376.16913	0.8
377.17780	1.3
378.18530	1.2
386.15875	0.5
387.16138	1.3
388.17145	0.6
389.17761	1.2
390.18637	1.4
391.19415	3.7
392.20108	2.1
393.20743	1.6
399.16293	0.9
400.16684	0.9
401.17572	2.7
402.18585	1.0
403.15067	0.6
403.19702	0.9
404.20303	0.6
405.16431	0.9
405.20670	1.7
406.21637	0.8
407.22217	3.1
408.22723	0.5
412.17432	0.6
413.17584	2.3
414.18323	1.8
415.19510	3.8
416.20105	0.8
417.16452	1.0
417.21054	1.1
418.18231	0.6
419.18680	2.3
421.20236	1.6
425.17596	0.6
427.19714	0.6
428.20041	1.2
429.21439	2.4
430.21552	1.3
431.18668	2.3
433.15775	1.0
433.20740	0.9
435.21829	1.8
441.16858	1.0
442.17554	0.9
443.17490	0.9
443.23450	2.4
444.19461	1.9
445.20255	1.8
446.21301	1.2
447.17557	3.7
448.18881	1.4
449.19632	0.9
456.20041	0.5
457.15817	0.7
457.20935	1.0
458.20938	1.6
459.18179	1.6
461.19489	3.3
462.20615	1.8
463.20941	2.2
469.16168	0.6
470.17773	0.7
471.22510	5.3
472.18237	0.8
473.19382	1.9
473.24335	0.7
474.20251	2.4
475.17508	2.1
475.22443	1.0
476.18253	0.9
477.19229	0.8
484.19125	1.0
485.19696	2.9
486.20615	2.6
487.21402	0.7
488.22232	0.7
489.22891	4.9
490.19092	4.1
491.20020	4.0
492.21466	0.6
493.22247	1.0
499.21353	10.8
500.18619	1.4
501.23349	4.2
502.20175	0.9
503.20728	4.3
504.21274	0.6
507.23734	1.5
511.21274	1.2
513.19177	3.7
514.19666	1.1
516.21356	0.9
517.22333	15.9
518.23090	2.0
521.21484	0.7
527.20630	1.8
528.21118	0.5
529.22363	6.9
530.22437	0.6
531.19910	2.9
531.38196	0.8
532.21027	0.7
535.23444	3.1
536.24072	1.3
545.21790	28.2
546.22101	1.8
547.23218	0.8
555.20490	0.9
563.22125	2.2
564.23126	2.4
573.21265	8.4
574.21753	0.8
577.24426	4.0
591.22351	4.3
595.25513	1.0
605.23853	43.8
606.24005	3.1
623.24890	100.0
623.42560	5.2
624.25116	9.0
641.83881	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70636	1.8
68.80570	1.6
71.71881	1.9
91.20010	1.6
185.39478	1.7
221.60716	1.6
391.19226	3.7
406.21317	3.5
407.22278	8.3
409.96652	2.3
421.24036	6.2
435.21771	10.2
449.23264	6.0
450.24207	1.8
462.20370	5.2
463.21042	14.8
475.20825	2.5
476.22144	4.4
477.22910	13.4
478.23566	4.6
535.23438	5.1
547.26984	2.2
549.25220	5.5
550.26068	2.8
563.26239	5.1
564.27094	17.4
605.27295	5.2
623.28564	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55198	0.5
59.50721	0.4
67.46194	0.4
68.06803	0.4
68.63997	0.5
69.56242	4.5
71.57935	0.4
79.05473	0.5
98.21426	0.9
105.91078	0.4
106.54782	0.4
144.36897	0.5
262.61334	0.5
289.17496	0.5
291.74265	0.5
364.18182	0.5
377.17551	0.7
388.18127	0.7
389.18826	0.9
390.18527	1.1
391.19168	1.8
392.19949	1.1
400.17007	1.4
401.17767	1.5
402.19254	0.5
403.19641	1.0
404.20413	1.7
405.20770	5.2
406.21442	1.3
413.17471	0.8
414.18292	0.7
415.19266	3.8
417.20831	1.8
418.22040	0.5
419.18076	1.3
419.22583	1.7
420.23077	1.9
421.24121	2.7
427.19315	1.5
428.19797	0.9
429.20801	5.3
430.22226	2.7
431.18240	1.0
431.23163	0.9
432.18707	0.7
432.23770	0.7
433.19571	4.3
434.24857	1.2
442.21857	1.6
443.22549	1.4
444.23407	2.7
445.19781	3.0
446.21326	1.0
447.17227	3.0
448.22675	1.4
451.21332	0.7
452.21899	0.8
457.24295	5.4
458.25000	1.0
459.21692	4.4
460.22787	5.7
461.19467	15.0
462.20197	0.7
463.20966	0.6
470.21176	1.5
472.22806	2.5
473.19815	1.6
474.20447	0.8
475.20279	3.1
476.21832	16.6
477.27463	2.2
485.23495	15.4
486.19852	5.2
487.20590	1.6
487.25323	1.5
488.21777	2.5
489.22672	3.6
493.26132	1.3
497.23547	0.8
499.21133	0.9
500.22076	2.6
503.24365	16.8
504.24490	0.7
505.22238	1.7
507.24185	0.6
513.22675	2.5
515.24384	14.0
516.24817	0.8
521.25464	13.8
531.23853	29.9
532.24274	1.6
535.23370	1.8
541.22107	0.9
545.25262	1.6
549.24933	20.7
559.23383	12.4
563.26038	1.0
564.27020	5.6
591.25946	59.6
592.26379	2.8
623.28564	100.0
624.28857	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	623.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
71.62722	1.4
82.64310	0.5
93.70418	0.5
154.88599	0.5
161.88574	0.6
177.64464	0.6
178.91550	0.6
183.07513	0.6
214.46872	0.7
377.17770	1.0
388.03033	0.6
388.17374	0.9
389.18390	1.8
390.18698	1.6
391.19150	2.2
392.20343	1.0
400.16934	1.1
401.17853	1.3
402.18817	1.1
403.19406	1.4
404.20670	2.2
405.20770	5.6
406.21655	1.4
413.17719	0.9
414.18298	1.4
415.19357	4.6
416.20233	0.7
417.20840	1.3
418.21613	1.0
419.17847	1.0
419.22461	2.1
420.23099	1.9
421.23947	2.7
427.19083	1.9
428.20459	0.8
429.20926	6.4
430.21799	2.6
431.22964	1.3
432.23367	1.3
433.19315	4.4
433.25253	0.9
434.24957	0.9
442.21548	1.2
443.22369	2.5
444.23596	3.6
445.19678	3.1
446.21198	1.4
447.17300	4.4
448.22949	1.2
449.19345	0.7
457.24426	4.5
458.24820	1.5
459.21786	5.4
460.22357	4.5
461.19412	16.5
462.20178	2.1
464.21936	0.8
472.22507	2.5
473.19733	1.6
474.20370	0.8
475.20303	5.3
476.21857	16.6
477.26843	1.7
485.23431	16.6
486.20056	5.7
487.20114	1.1
487.25610	1.1
488.21558	2.8
489.22598	4.0
493.26196	0.9
497.23184	1.4
499.21207	1.3
500.22183	2.1
503.17270	1.2
503.24377	15.9
505.22284	0.9
507.23483	1.2
513.22864	2.4
515.24384	14.5
519.23749	0.8
521.25342	13.7
521.32782	1.1
531.23889	24.8
535.23438	2.0
545.25610	1.0
549.24823	20.1
559.23291	9.9
563.26575	1.5
564.26910	2.1
591.25922	50.2
592.26300	1.8
623.28534	100.0
624.28943	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	623.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
71.63997	1.6
77.81622	0.8
91.14075	0.8
209.44986	0.9
285.77261	0.9
309.55435	1.0
320.16275	1.1
335.97778	1.0
377.17664	2.1
390.18427	1.4
391.19217	2.3
392.20120	2.9
393.20578	1.3
405.20731	3.4
406.21609	3.2
407.22327	9.8
414.18106	1.3
415.19153	1.6
419.22507	1.5
420.23053	1.8
421.23972	6.8
422.24356	1.3
428.20151	1.5
429.20657	5.4
433.24936	1.5
443.22284	3.8
444.23080	1.4
445.20370	1.2
447.17856	1.4
457.24481	1.8
458.24359	1.5
459.21774	3.1
460.22827	1.5
461.19611	3.1
462.21350	1.1
472.22772	2.1
475.21161	4.8
476.22174	2.8
477.22562	2.1
485.23419	3.9
489.22925	2.5
499.21231	3.4
500.22134	1.1
503.24448	5.1
517.25885	1.2
529.26495	1.2
535.27130	3.7
545.25446	27.2
573.25061	5.3
577.27966	1.8
591.26111	2.1
605.27490	25.6
606.27722	1.5
623.28577	100.0
624.28680	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	623.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65292	0.7
63.42287	0.8
63.52409	0.7
65.98176	0.8
68.46540	0.7
70.15815	2.8
90.08857	0.7
96.03374	0.7
98.21490	0.8
101.47103	0.8
125.60144	0.7
183.49554	0.9
195.48048	0.7
377.17734	1.5
378.18430	0.9
389.17932	1.8
390.18390	1.2
391.19394	3.0
392.20016	2.8
399.16513	1.1
400.17215	1.4
401.17969	1.3
402.19119	0.8
403.20129	1.5
404.20593	1.1
405.20938	4.0
406.21585	2.8
407.22311	10.5
413.17905	2.2
414.18518	3.1
415.19357	3.3
416.19861	1.2
419.22565	1.5
420.23010	2.0
421.23898	8.3
422.24741	1.4
427.19159	1.3
428.20050	3.5
429.20901	9.6
430.21548	1.8
431.22995	1.2
433.24658	1.0
441.21478	0.9
442.21851	1.4
443.22421	7.9
444.23163	3.3
445.20035	1.4
446.20853	1.0
447.17645	1.0
456.19418	1.1
457.24109	2.5
458.25150	3.9
459.21906	6.3
460.22876	1.7
461.19025	4.6
462.20248	1.4
463.21179	1.0
470.21429	1.1
472.22668	5.0
473.23715	1.9
475.21002	4.5
476.21689	3.8
477.22580	2.0
478.23474	1.0
485.23672	8.8
486.20511	1.3
488.21417	1.1
489.22781	2.1
499.21378	3.0
503.24673	4.6
513.23077	3.3
514.23962	1.1
515.24640	1.3
517.26367	5.1
529.25897	1.6
535.26947	3.4
545.25464	66.5
546.25848	2.5
562.24988	1.2
564.27478	1.6
573.24835	14.8
605.27539	100.0
606.27771	4.5
623.28564	91.9
624.28918	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	623.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
67.05492	0.9
69.07059	0.4
70.13538	1.2
70.13955	0.6
70.87646	0.3
79.05498	0.8
81.07047	1.2
83.08644	0.4
91.05486	0.9
93.07033	0.8
95.08605	1.0
105.06995	0.8
119.08556	1.0
123.08005	0.4
131.08572	0.4
133.10066	0.7
145.10164	0.4
157.10104	0.5
158.13530	0.4
169.10074	0.4
255.33929	0.4
279.15103	0.4
316.51254	0.4
376.16946	0.4
388.17026	0.7
389.17813	1.4
390.18674	0.5
391.19293	1.6
392.19965	0.5
393.20917	0.5
401.17447	0.8
402.18417	1.0
403.19467	2.2
404.20090	1.3
405.21106	2.5
406.21548	0.4
407.21912	1.8
415.19354	1.0
416.20047	1.2
417.16708	1.2
417.21756	1.8
418.17676	1.1
419.22781	3.5
420.22888	1.4
429.16278	0.5
429.21307	1.0
430.17712	1.4
430.22308	0.7
431.17834	3.2
432.19470	1.4
433.20166	7.5
434.21127	0.9
443.18124	2.1
444.18619	2.0
445.19952	4.4
446.20959	2.7
447.22168	5.0
448.22708	0.8
449.23163	0.8
457.20328	1.2
458.20935	7.2
459.21808	5.8
460.22839	4.2
461.19376	0.6
462.20648	0.9
463.21155	2.6
465.22827	0.5
471.22101	0.7
472.22583	0.6
475.21344	1.4
476.22098	1.3
477.22687	1.9
485.23175	0.6
491.24863	0.5
503.20993	0.6
504.25629	0.5
505.26105	0.8
517.22351	0.8
518.23022	4.9
519.23822	0.6
521.21765	1.9
530.23071	0.6
531.24060	1.2
533.25470	8.4
535.27948	1.8
545.25409	2.7
546.26257	1.2
563.26440	4.0
573.25073	1.0
577.28442	0.7
591.25769	0.8
605.27448	10.4
623.28546	100.0
624.28729	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
55.05501	1.5
56.37595	0.4
65.03928	0.4
67.05505	4.1
69.07070	2.0
69.78831	2.8
72.09956	0.4
79.05487	3.0
81.07043	3.4
83.08589	0.6
91.05470	2.7
93.07036	1.9
95.04940	2.7
95.08614	2.2
97.06525	1.0
97.10136	0.5
105.07013	2.8
107.04971	0.9
107.08574	2.1
109.06494	0.5
109.10102	0.6
113.40902	0.4
117.07031	1.1
119.08579	1.8
121.06468	0.9
121.10146	1.1
125.09605	0.5
127.73720	0.4
129.07011	0.6
131.08554	1.8
133.10130	1.5
135.08037	0.5
135.11752	0.5
143.08600	0.7
145.10097	1.0
147.08174	0.5
147.11708	1.1
149.09615	0.6
155.08607	0.5
157.10121	0.8
159.11700	0.7
163.11148	0.5
171.11702	0.8
179.14304	0.7
183.11606	0.5
255.17361	0.4
257.32007	0.4
260.59109	0.6
271.05957	6.5
271.16992	0.8
272.06372	0.4
273.18579	0.8
275.20065	1.7
289.17944	0.5
348.15103	0.4
374.15451	0.7
375.16269	0.6
388.17108	0.5
389.17685	3.8
390.18387	1.1
391.19284	2.5
402.18616	0.5
403.19489	3.2
404.19888	1.7
405.20737	10.4
406.21878	0.7
416.20023	1.1
417.16452	6.8
417.21381	1.6
418.17480	2.9
419.18549	3.6
420.18985	0.5
431.18170	7.3
432.19296	9.1
432.24493	0.7
433.20132	8.4
434.21155	0.6
443.18695	0.6
445.20270	3.4
446.21030	1.3
448.21863	0.5
449.23294	1.5
451.21335	0.4
459.22275	1.9
461.19055	1.9
462.20731	1.0
463.21115	2.6
475.21143	2.1
476.21973	4.2
477.23535	4.5
478.23483	0.5
487.21625	1.1
489.22879	1.3
490.23450	0.6
491.24377	1.5
503.24408	1.0
511.37363	0.6
519.23883	21.9
520.24475	0.7
521.22089	1.3
535.26990	0.8
545.25122	0.5
547.23907	0.7
551.26318	0.8
563.26532	13.7
579.25934	5.2
595.29425	0.6
604.48065	0.5
605.26788	0.5
605.42010	1.2
623.28577	100.0
623.42932	2.5
624.29230	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.4
55.05484	0.9
57.02741	0.3
61.55611	0.3
64.82264	0.3
65.03919	0.3
67.05505	1.7
67.05824	0.4
69.07046	0.8
73.70811	0.3
79.05465	1.3
81.07037	1.5
91.05441	1.5
93.07024	1.1
95.04971	0.6
95.08594	0.8
97.06505	0.4
105.07019	1.3
106.06517	0.5
107.04941	0.3
107.08570	0.8
109.10140	0.5
117.07012	0.7
119.08560	1.3
129.07028	0.3
131.08543	0.5
133.10161	0.8
145.10097	0.6
147.11674	0.4
157.10162	0.3
159.11719	0.4
169.10219	0.3
183.09213	0.3
195.09143	0.4
197.10732	0.3
209.10815	0.4
211.12325	0.4
221.10623	0.4
223.12318	0.4
230.06599	0.3
235.12431	0.3
235.30931	0.3
237.10219	0.3
253.13399	0.4
264.92276	0.3
271.05984	2.5
275.20032	0.7
285.13101	0.3
294.79129	0.3
300.14755	0.3
311.13956	0.3
324.14819	0.5
326.12958	0.3
328.14404	0.3
332.15897	0.3
340.14764	0.4
354.16144	0.4
368.17688	0.3
375.16187	0.6
376.17325	0.5
377.17575	0.7
382.14914	0.4
387.16000	0.5
388.17072	0.5
389.17706	1.1
391.19235	2.3
392.20346	0.3
393.20847	0.8
395.53998	0.3
401.17480	0.4
402.19025	0.3
403.19421	1.2
404.20190	0.9
405.16232	0.7
405.21277	2.2
406.21490	1.5
407.22287	1.2
415.19693	0.4
417.16983	1.2
417.21533	0.6
418.17816	1.0
419.17590	2.4
419.22662	1.7
420.19061	0.5
421.24271	2.1
422.24554	0.4
429.17139	1.0
431.18140	1.1
431.22470	1.4
432.19174	1.4
433.19901	3.6
434.21063	1.3
435.21732	1.1
443.18674	1.2
444.19739	0.7
445.19934	3.2
446.21085	1.7
447.22391	3.8
448.22751	1.7
449.23376	4.9
458.21106	0.8
459.21866	2.5
460.22745	0.6
461.18762	2.2
462.19748	0.4
462.25076	0.4
463.21252	1.9
475.20782	1.4
476.21936	5.4
477.22733	3.8
478.23395	0.4
488.21335	0.5
489.23129	2.3
490.23605	0.4
493.21719	0.4
503.24399	1.3
505.21793	0.7
507.27667	0.3
508.25040	0.4
519.23981	0.4
521.21014	1.4
531.23480	0.6
533.25525	3.7
535.27649	3.1
545.25525	1.4
546.26508	0.3
547.26929	0.7
548.24829	0.4
563.26410	17.7
564.26263	0.6
591.25739	1.0
593.27844	0.5
595.28839	0.7
605.27588	3.5
606.28241	1.9
623.28540	100.0
624.28802	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.3
53.03930	8.3
55.01861	6.5
55.05501	24.2
57.03421	9.2
57.07051	2.4
59.04985	1.4
61.02904	1.2
63.70428	1.1
65.03921	4.8
67.05494	50.2
68.37846	1.0
69.03417	20.3
69.07054	17.8
69.55714	8.1
69.56144	1.9
71.01331	1.7
71.04976	8.7
73.02920	1.4
79.05479	42.4
81.03402	100.0
81.07039	59.6
83.04963	21.1
83.08604	22.0
83.49472	1.0
85.02884	23.8
85.06518	4.5
91.05463	40.9
92.43512	1.4
93.07029	46.6
93.25858	1.1
95.04951	26.8
95.08585	22.4
97.02873	17.3
97.06516	9.4
97.10141	6.5
99.04446	5.7
99.08073	3.7
103.03993	1.5
103.05455	2.7
105.07011	30.6
107.04926	9.1
107.08570	22.1
109.02850	20.7
109.06517	7.8
109.10143	6.7
111.04424	16.3
111.08073	11.4
113.05998	1.5
115.05434	2.4
117.07008	11.4
119.04912	3.4
119.08563	21.7
121.02930	1.1
121.06483	6.9
121.10124	16.1
123.04414	3.7
123.08073	3.6
123.11667	5.8
125.06054	1.3
125.09611	4.8
127.03899	12.8
127.07542	1.4
128.06259	2.3
129.05473	2.4
129.06978	11.4
131.04971	1.7
131.08553	17.1
133.06482	5.3
133.10103	12.9
135.08043	4.5
135.11684	9.0
137.05940	2.9
137.09575	2.6
137.13185	1.6
138.14288	1.3
141.07030	1.8
142.07799	2.9
143.08553	4.2
145.02930	1.2
145.04936	1.2
145.06488	3.3
145.10112	4.7
147.04425	2.5
147.08032	5.0
147.11661	19.6
149.05917	2.4
149.09599	8.1
149.13225	11.9
151.03900	5.1
151.07498	1.8
151.11157	1.5
153.01801	1.5
153.12694	2.9
155.08508	2.3
157.06490	2.5
157.10106	12.6
159.11642	8.1
161.05983	1.3
161.09616	2.2
161.13281	1.7
163.03918	4.8
163.11168	3.5
165.12723	6.6
169.10033	1.4
171.08043	1.7
171.11678	3.4
173.05968	1.1
173.09621	1.5
175.11191	12.3
176.40434	1.1
177.05496	3.0
177.12686	5.2
181.10132	1.4
181.12186	3.0
183.06551	1.9
183.08070	1.2
183.11736	1.5
183.13698	1.3
185.13326	1.5
186.60272	1.3
187.11333	1.1
189.11139	1.8
189.12708	1.4
191.10727	2.6
191.14223	1.8
193.10344	1.6
193.12199	34.5
195.13783	8.1
199.14758	1.3
203.14410	1.2
211.11307	1.9
211.13249	48.3
212.13506	1.9
213.14754	2.9
213.16542	1.2
219.13797	1.6
227.12752	4.2
229.14236	2.0
231.13882	1.6
235.13206	2.4
249.14824	2.3
251.16483	1.6
267.15869	11.0
269.17477	9.4
271.05954	42.9
272.06339	2.7
273.14761	1.7
275.16531	1.5
277.14319	1.5
285.14233	1.5
285.17249	5.8
287.16321	1.4
297.16922	1.5
301.07001	1.4
303.15891	4.1
319.15329	1.7
321.16959	3.3
337.16650	2.2
339.17953	7.2
355.17484	5.1
369.24353	2.1
377.19461	1.7
393.19211	2.0
395.20532	6.9
411.20154	5.1
443.27689	2.5
444.43695	1.3
461.28683	11.2
479.29984	10.6
495.30002	1.9
503.29901	1.8
545.30865	1.5
569.31012	1.7
575.31354	1.8
587.31464	2.1
605.33380	7.7
623.12866	2.0
623.34131	65.3
624.34808	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	623.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
55.01620	1.5
55.01865	9.6
55.05504	27.5
57.03431	12.0
59.05007	1.7
61.02917	29.5
63.38900	2.2
65.03922	2.8
67.05496	58.4
69.03416	13.8
69.07059	23.5
71.04981	6.5
71.70300	2.9
73.02908	7.0
79.05485	58.3
81.03413	17.4
81.07047	55.9
83.04964	11.6
83.08606	18.0
85.02894	26.9
85.06512	4.9
91.03951	14.0
91.05469	58.6
91.38763	1.9
92.05772	3.1
93.07031	53.9
95.04963	17.1
95.08595	33.7
97.02882	18.5
97.06535	10.5
97.10150	9.0
99.04475	2.5
103.05458	3.4
105.07017	50.6
107.04942	12.0
107.08588	26.1
109.02861	3.6
109.06491	11.8
109.10150	17.3
111.04439	3.4
111.08080	8.8
115.05440	6.3
117.06264	3.4
117.07012	36.5
119.04942	5.9
119.08568	32.1
120.54913	1.8
121.06477	7.6
121.10111	15.1
123.08072	6.7
123.11691	5.0
125.09634	5.3
127.03913	7.4
128.06180	10.0
129.06985	41.1
130.07739	2.6
131.04929	3.6
131.08553	44.7
133.06438	5.1
133.10126	18.1
135.08038	8.6
135.11714	8.6
137.05930	2.0
137.09569	2.9
139.11214	1.8
141.06938	21.3
142.07794	5.2
143.08545	33.3
145.04893	2.0
145.06473	11.2
145.10124	29.8
147.08054	9.0
147.11670	13.3
149.09639	9.6
149.13243	4.3
151.11182	2.5
153.01814	4.9
153.06961	3.9
154.07736	4.0
155.08528	24.1
157.10123	18.2
159.08069	5.9
159.11673	14.5
161.09598	6.0
161.13272	4.3
163.11177	5.9
165.07007	4.4
165.09064	2.0
165.12888	1.8
167.08498	11.0
168.09294	3.5
169.10133	16.7
171.08020	6.2
171.11635	14.1
173.05919	2.4
173.09625	5.3
173.11876	2.2
173.13268	5.5
175.09711	2.5
175.11163	6.7
175.14772	2.8
177.12721	3.5
179.08546	10.2
181.10104	14.3
182.10722	1.9
183.07928	2.8
183.10362	1.8
183.11700	10.2
185.09627	3.5
185.13258	8.9
187.11125	4.1
187.14780	4.7
189.11185	2.6
189.12677	2.2
193.10172	5.6
193.12144	3.9
195.11691	13.7
196.56874	1.8
197.09560	2.2
197.13239	10.3
199.11211	2.0
199.14833	4.8
201.12643	3.1
203.14317	4.4
205.10124	2.4
207.11740	5.4
207.13785	2.5
209.13280	8.3
211.11266	3.1
211.13066	2.9
211.14815	7.8
213.12746	4.1
213.16458	2.9
215.14253	7.6
217.12221	2.6
217.15849	2.1
219.11682	3.5
221.13271	10.4
223.14847	7.8
225.12698	2.9
227.12567	2.2
227.14555	2.1
229.12311	2.1
231.17430	1.9
232.11729	2.0
235.14816	5.8
237.16452	2.0
239.14311	5.0
239.18114	2.4
241.16016	2.9
249.16327	2.5
253.15965	4.5
257.15344	4.9
257.19031	4.3
271.05969	86.7
271.16879	6.3
272.06284	9.1
273.14847	1.9
275.17264	2.5
275.20053	15.8
289.18161	2.2
293.08118	1.8
293.11877	1.9
301.07028	2.2
305.22736	3.5
315.20889	2.4
323.23770	6.1
331.22610	2.2
333.22034	14.3
341.24823	8.6
351.23123	44.5
369.24179	35.4
387.25232	17.3
425.26669	7.4
443.27893	100.0
447.09079	4.2
461.28952	64.0
503.30222	2.4
535.24561	2.1
563.83752	2.2
587.32477	2.5
605.32648	2.6
605.41864	2.7
623.33429	10.5
623.42773	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.8
53.03935	8.8
55.01860	10.2
55.05501	32.7
57.03432	13.5
57.07064	2.5
59.22348	1.0
60.33120	1.1
61.02911	3.6
65.03931	6.5
65.04218	1.1
67.05495	66.2
67.36956	1.1
69.03042	1.4
69.03419	22.3
69.07056	24.4
70.03202	5.8
71.01347	1.3
71.04984	11.2
73.02909	2.4
77.03959	1.4
79.05481	59.6
81.03405	100.0
81.07043	80.1
83.04968	21.0
83.08604	26.4
85.02386	1.7
85.02895	22.0
85.06554	3.7
91.05463	63.6
93.07030	57.1
95.04953	34.0
95.08593	30.2
97.02876	20.2
97.06509	11.2
97.10150	12.2
99.04448	6.8
99.08070	3.1
103.05477	2.2
105.04494	1.9
105.07012	42.7
107.04932	14.5
107.08574	34.0
107.61275	1.3
107.71504	1.1
109.02859	17.1
109.06509	10.0
109.10125	11.7
111.04415	12.5
111.08057	12.6
113.05986	2.0
115.05447	2.9
117.07001	16.5
119.04919	4.0
119.08564	29.5
121.06493	6.3
121.10117	22.2
123.04423	2.4
123.08059	5.3
123.11691	8.9
125.05981	1.7
125.09570	8.0
127.03886	10.6
128.06168	2.6
129.05489	2.7
129.06985	15.8
130.07716	1.5
131.04883	1.7
131.08539	23.3
133.06470	5.1
133.10120	19.7
135.08026	5.3
135.11685	9.5
137.05965	1.5
137.09619	3.7
141.06967	2.6
142.07761	2.6
143.08569	8.6
145.06467	5.4
145.10101	14.3
147.04396	3.0
147.07997	4.4
147.11673	20.5
149.06042	2.1
149.09625	8.9
149.13223	10.5
153.01822	1.5
153.09109	1.4
153.12744	2.9
155.08533	5.8
157.10109	14.9
159.08011	2.9
159.11682	14.7
161.05899	1.8
161.09567	1.3
161.13239	3.0
163.11192	7.3
165.12769	5.5
167.08537	2.6
169.10117	5.0
171.11714	5.7
173.04463	3.5
173.09636	1.8
173.11867	1.4
173.13278	3.8
175.11142	9.4
177.12726	4.5
179.14294	2.1
181.10164	2.4
181.12225	4.1
183.06490	2.4
183.11714	4.2
185.13228	4.0
187.11061	1.2
189.11183	2.6
191.10622	3.0
193.10321	2.5
193.12224	31.8
195.07973	1.2
195.11833	3.0
195.13800	9.6
197.13229	4.5
199.14864	1.6
201.12770	2.4
203.14180	1.4
207.11693	1.9
207.13750	1.3
209.13329	2.1
211.13248	47.7
211.15111	2.8
213.12827	1.7
213.14711	2.7
219.13664	1.4
221.13397	1.8
225.16383	2.0
227.12712	7.1
229.14250	1.4
233.15311	1.5
235.13132	1.2
239.17860	2.1
243.13828	1.5
249.14841	1.7
257.15250	1.5
257.19101	2.9
261.14883	1.5
267.15909	13.6
269.17404	9.7
271.05963	41.9
272.06323	3.9
273.14859	1.8
275.20050	18.7
283.15466	2.0
285.17139	6.4
293.20941	2.0
301.14322	1.8
303.15979	2.3
321.16998	4.0
331.22543	1.3
337.16412	2.3
339.17996	7.6
341.24722	2.0
349.23724	2.3
351.23175	2.4
355.17609	3.5
369.24280	2.9
377.19519	2.4
381.27692	1.8
387.25308	4.2
395.20581	6.3
411.20114	4.3
413.21701	3.1
435.27475	1.5
443.27759	6.1
461.28879	19.4
479.30099	11.8
525.35516	1.8
569.30670	2.8
570.07886	1.3
587.31830	3.3
588.32098	1.2
605.32794	9.2
605.41797	4.2
623.33905	64.6
623.43146	16.1
624.34064	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	623.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.1
53.03938	10.1
55.01853	10.5
55.05501	34.0
57.03422	12.3
57.07063	1.7
59.04959	2.5
62.16306	1.7
62.24607	1.8
62.44573	1.7
64.16768	1.9
65.03920	3.5
67.05141	4.0
67.05494	70.4
69.03413	19.8
69.07050	27.8
69.57838	17.1
71.01344	2.8
71.04981	9.4
73.02885	3.9
79.05479	60.4
81.03404	82.9
81.07042	89.3
83.04969	26.1
83.08606	26.5
85.02891	22.8
85.06512	3.6
85.50446	1.8
85.59199	2.2
91.03923	2.1
91.05465	61.0
93.07030	58.8
95.01311	2.4
95.04949	34.1
95.08595	32.1
97.02882	15.7
97.06503	15.3
97.10131	11.6
99.04415	7.0
99.08076	3.7
103.03996	2.2
103.05436	2.6
105.07012	44.3
107.04947	12.5
107.08578	34.8
109.02857	17.8
109.05849	2.0
109.06490	12.6
109.10136	16.1
111.04416	12.6
111.08022	10.1
112.66712	1.8
113.02357	2.1
115.05436	4.0
117.06982	17.9
119.04890	4.3
119.08553	27.3
121.06485	9.1
121.10125	22.3
123.04404	3.7
123.08035	5.3
123.11657	5.8
125.09583	7.5
127.03899	9.3
128.06186	3.0
129.05484	4.2
129.06973	16.6
131.04922	2.5
131.08549	29.5
133.06427	6.1
133.10115	21.9
135.08025	7.6
135.11674	12.0
137.09535	4.2
141.06934	4.3
142.07730	2.2
143.08527	10.5
145.06479	7.6
145.10083	21.1
147.07977	6.6
147.11662	20.5
149.05986	1.9
149.09605	9.9
149.13237	11.5
151.11206	2.9
153.01799	3.9
153.09085	2.3
153.12701	2.6
155.08536	7.3
157.06499	3.1
157.10126	12.3
159.07947	3.6
159.11662	13.8
161.09531	2.1
161.13251	2.7
163.11159	9.7
165.12718	7.2
167.08513	2.7
169.10088	6.6
171.07967	3.8
171.11639	4.7
173.04430	3.4
173.05885	2.2
173.09557	3.5
173.13177	2.9
175.11139	10.3
177.12723	5.3
179.14348	2.5
181.10091	3.3
181.12144	2.1
183.11641	3.7
185.13223	4.0
187.14688	2.6
189.11192	4.1
189.12718	3.7
191.10681	5.3
193.12202	30.0
195.11728	3.2
195.13744	6.4
197.13216	3.6
209.13220	2.4
211.13237	41.6
211.15099	3.8
213.12848	2.2
213.14760	1.9
223.14825	3.5
227.12633	8.6
229.14317	3.9
239.17792	2.6
249.14700	2.9
257.18845	7.0
259.13770	2.0
259.16580	1.9
260.14954	1.9
261.14835	2.1
267.15811	11.4
269.17374	10.7
271.05969	100.0
272.06229	5.3
273.14847	2.9
275.16922	3.3
275.19965	21.6
277.14285	2.2
285.16879	5.6
293.21069	2.7
303.15826	2.7
319.15781	2.4
337.16437	2.5
339.17920	5.4
349.23828	2.5
351.23267	3.3
355.17502	3.8
369.24185	6.7
387.25214	3.3
395.20490	3.1
411.20074	4.4
417.26587	1.9
443.27847	11.7
447.09143	2.4
461.28891	39.0
473.27963	2.0
479.30179	15.4
485.28757	2.2
503.29654	3.6
525.36029	2.1
527.29370	2.4
587.31836	5.9
605.32819	10.7
605.41479	3.2
623.33801	68.1
623.43036	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.3
53.03939	6.1
55.01861	25.2
55.05502	28.6
57.03414	9.0
57.07056	3.8
65.03935	4.1
67.05492	68.1
69.03426	3.4
69.07057	44.1
69.07426	3.0
69.82506	7.3
71.04980	3.5
79.05480	64.1
81.03390	10.7
81.07043	71.3
83.04975	9.0
83.08615	14.3
85.06546	4.0
91.05463	71.4
93.07030	60.0
95.01310	8.1
95.04957	19.9
95.08588	45.3
95.09198	2.3
97.06512	38.2
97.10159	9.0
98.20805	3.1
99.08070	2.2
102.44017	1.8
103.05464	2.4
105.07009	74.5
107.04934	18.8
107.05569	1.8
107.08579	47.6
109.06523	8.4
109.10139	17.9
111.08102	4.6
115.05441	3.5
117.07005	29.7
119.04953	2.1
119.08561	50.1
121.06532	5.1
121.10119	15.9
123.08069	8.5
123.11691	4.9
125.09631	6.1
127.07502	1.7
128.06204	4.8
129.06969	12.1
130.07741	3.2
131.04887	1.7
131.08546	41.5
133.06448	3.1
133.10117	41.4
135.08018	8.0
135.11655	10.3
137.09641	5.4
139.07521	2.0
141.06955	6.7
142.07768	2.8
143.08549	19.7
145.06476	3.4
145.10100	35.6
145.11203	2.1
147.08072	3.5
147.11655	28.3
147.12721	2.3
149.09598	18.0
149.13235	5.9
151.11165	2.9
153.07042	3.0
155.08508	12.7
157.10077	17.7
159.08035	3.9
159.11678	22.7
161.09671	4.4
161.13228	10.3
163.11122	13.2
163.14890	1.5
165.06961	2.5
165.09084	2.8
167.08598	4.1
168.09323	3.0
169.10104	11.8
171.11661	13.6
173.09628	2.9
173.13191	9.2
175.11244	3.4
175.14816	2.2
177.12773	4.8
179.08626	3.6
179.10591	1.4
179.14294	16.6
181.10001	2.9
183.11687	11.6
185.13246	7.0
187.11226	5.4
187.14842	5.8
189.11234	3.1
189.12787	2.7
193.10182	2.1
195.11723	9.1
195.13408	1.7
197.09731	1.4
197.13229	10.4
199.14877	3.6
201.12749	2.3
201.16461	2.3
203.14407	1.6
205.12236	1.7
205.15849	1.6
207.11746	4.9
209.13319	4.4
211.14874	3.7
213.16406	2.5
215.17924	2.4
217.15996	1.7
219.11734	2.2
219.17464	3.4
221.13245	3.3
223.14861	2.3
225.16438	3.5
229.19543	5.3
235.14882	2.2
237.16370	2.9
239.18021	6.6
247.20650	5.1
249.16345	1.7
255.17409	2.2
257.18997	19.8
259.20618	1.9
271.05969	40.1
272.06393	4.1
273.18512	4.5
275.20020	100.0
276.20529	1.8
287.19968	1.6
291.19485	2.0
293.20972	7.7
313.21765	3.0
319.91507	1.8
331.22781	5.9
344.25226	1.8
347.22980	1.8
349.23712	7.6
361.24631	1.7
363.26898	2.0
451.32364	1.6
507.35410	1.8
511.37827	5.0
513.37085	3.9
525.35840	2.6
531.38275	5.9
549.39380	4.3
562.60242	1.7
605.41840	17.5
623.25726	4.7
623.43042	84.3
624.43262	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	623.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.9
53.03928	1.8
55.01866	7.8
55.05503	24.0
57.03413	2.4
57.07044	1.1
59.04966	1.0
65.03913	1.8
67.05493	33.2
68.13933	0.7
69.03416	2.6
69.07059	16.6
71.04963	2.2
71.70868	0.9
79.05481	29.2
81.03394	2.8
81.07044	32.6
83.04968	4.4
83.08601	11.1
85.02882	1.1
85.48840	0.8
91.05464	28.6
93.07030	20.6
95.01288	1.4
95.04961	6.2
95.08591	19.2
96.64100	0.7
97.02878	1.1
97.06506	9.3
97.10156	11.3
99.08070	1.1
103.05444	1.3
105.07014	25.4
106.42509	0.7
107.04930	6.4
107.08573	14.7
109.06516	4.5
109.10144	9.3
111.04477	1.1
111.08054	2.2
112.99893	0.6
113.09657	1.0
115.05438	2.7
117.06994	11.8
119.08566	16.3
121.06464	2.1
121.10121	6.9
123.08015	2.2
123.11694	2.0
125.09584	7.0
128.06206	3.7
129.06989	10.3
130.07776	1.3
131.07643	1.3
131.08549	16.7
133.06491	1.6
133.10107	13.7
135.08044	2.7
135.11665	4.6
137.09648	1.7
141.06963	5.2
142.07732	2.4
143.08530	8.9
144.09296	0.9
145.06439	1.1
145.10097	12.2
147.08047	2.0
147.11665	7.4
149.09572	3.9
149.13232	1.8
151.11122	1.1
153.06963	1.2
153.09157	1.2
154.07735	1.1
155.08525	7.6
156.09291	1.4
157.10094	7.2
158.10799	0.8
159.08051	0.8
159.11656	10.1
161.13258	2.9
163.11166	3.3
165.06989	1.3
165.09077	0.7
165.12778	1.0
167.08554	3.4
168.09303	1.0
169.10097	7.9
171.11670	7.6
173.09619	1.8
173.11884	1.0
173.13184	4.5
175.11145	1.8
177.12759	1.8
179.08521	2.1
179.14302	3.4
181.10085	5.4
182.10866	1.5
183.11661	8.9
185.09631	1.4
185.13278	4.6
187.11145	1.4
187.14810	1.9
189.11246	5.4
189.12708	1.2
192.09160	0.8
193.10086	1.9
194.10869	0.9
195.11664	4.1
196.12405	0.9
196.31491	0.7
197.13208	5.3
199.14813	1.8
201.16376	1.3
207.11661	2.5
209.13235	3.9
211.14787	3.0
213.16322	1.4
215.14349	0.9
215.17863	0.9
217.15804	1.1
219.11673	1.2
219.17416	1.5
221.13266	2.0
223.14841	2.3
225.12816	1.1
225.16351	2.3
227.12753	2.9
227.17831	0.8
229.19502	1.0
233.13258	1.1
235.14754	2.5
237.16408	1.7
239.17867	2.8
247.20412	1.3
251.14799	0.7
251.17699	1.2
253.19420	0.8
257.18964	5.3
259.20535	1.2
263.17807	1.1
267.17740	0.7
267.20847	1.1
271.05963	13.0
271.20544	1.4
272.06247	1.4
273.18448	0.9
275.20047	14.1
291.19501	6.9
293.21347	1.3
299.20337	0.8
299.23691	2.9
299.86295	1.0
309.22110	1.0
321.21759	0.9
323.23618	1.2
324.14883	0.9
331.22513	1.1
349.23987	0.9
363.26743	1.1
375.15948	0.8
376.17136	1.1
377.28311	1.0
379.25806	0.8
379.29871	4.1
389.17706	2.3
390.18030	0.9
401.17889	1.1
403.19162	2.7
404.19864	1.7
405.20547	1.8
405.25882	0.8
415.19250	1.2
416.20389	1.1
417.15958	3.3
417.21091	2.5
418.17191	1.3
419.22607	6.4
419.27850	1.0
429.16470	1.5
430.17517	1.7
431.18463	3.8
431.22769	2.2
431.27509	1.0
432.19287	3.0
433.20187	2.7
433.30945	1.4
434.20331	0.9
435.21344	1.2
443.18396	4.5
443.86053	0.8
444.19312	2.1
445.20004	11.5
446.20850	7.3
447.22507	6.5
448.18475	1.3
449.23276	2.1
451.31857	1.5
457.20074	1.3
459.21732	2.9
461.19614	1.8
462.20435	3.0
463.21097	2.8
469.32977	2.3
473.23798	0.9
475.21106	2.3
476.21872	6.7
477.22855	8.5
478.23120	1.2
487.21777	0.9
489.22681	2.8
503.24301	0.9
505.25818	1.0
511.35596	1.1
513.36786	2.0
525.35754	12.4
531.38098	1.6
533.25452	14.9
534.25482	2.2
535.23303	2.3
549.39075	2.4
554.35956	1.1
563.26685	17.7
564.26733	3.8
593.27301	4.2
594.25171	2.3
605.26489	1.4
605.41833	6.5
623.28235	100.0
623.42688	43.0
624.28888	19.0
624.42987	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.9
53.03933	4.7
55.01668	0.8
55.01867	8.3
55.05502	21.1
57.03429	17.3
57.07062	2.8
65.03934	6.3
67.05495	77.2
69.03420	3.2
69.07059	22.3
71.04974	4.9
71.08627	1.3
77.03915	1.6
79.05017	2.3
79.05479	52.9
81.03412	8.6
81.07046	54.4
83.04977	7.9
83.08597	10.2
85.06529	11.8
91.05466	57.2
93.07029	53.0
93.92097	1.1
95.01323	3.5
95.04951	64.5
95.08591	37.2
97.06503	10.5
97.10143	5.6
98.79469	1.1
99.08086	2.6
103.05453	3.2
105.04465	1.3
105.07011	56.9
107.04939	16.7
107.08571	30.1
109.06500	47.6
109.10140	11.1
111.04460	1.3
111.08070	5.4
113.05993	24.9
114.42020	1.0
115.05450	4.7
117.06998	28.7
117.07792	1.9
119.04994	1.4
119.08564	38.0
119.09406	2.2
121.06497	8.0
121.10121	13.6
123.04424	2.2
123.08051	11.0
123.11716	2.4
125.09623	1.8
128.06197	6.6
129.06982	19.4
130.07791	1.8
131.07072	1.8
131.08545	39.9
132.10130	1.0
133.06508	4.9
133.10107	23.2
133.11014	1.8
135.08029	23.8
135.11667	13.3
137.06020	1.2
137.09642	2.3
141.06958	6.8
142.07790	3.5
143.08537	21.9
144.09416	1.3
145.06502	4.9
145.10107	31.9
147.08005	6.7
147.11653	16.4
149.09602	5.9
149.13240	5.2
153.06964	2.0
154.07755	1.7
155.08531	9.2
157.10115	17.5
159.08072	5.2
159.11653	22.5
161.08339	1.5
161.09599	8.0
161.13243	7.0
163.11157	5.3
163.14870	1.4
165.12776	1.2
166.07716	1.4
167.08533	5.6
168.09253	1.4
169.10112	13.4
171.08075	2.2
171.11665	12.8
173.09601	3.5
173.13252	11.6
173.14583	1.2
175.07664	1.1
175.11192	4.8
175.14835	3.4
177.12714	5.0
179.14307	3.1
180.09315	1.9
181.10120	6.6
183.11687	10.6
185.09642	2.9
185.13216	8.7
187.11136	6.1
187.14842	5.9
189.12801	3.1
189.16431	2.5
191.08569	1.4
191.14285	1.7
193.10207	3.2
195.11702	6.8
195.13771	3.2
197.09627	1.5
197.13242	7.7
199.11185	1.9
199.14746	6.3
201.12746	1.8
201.14624	1.2
201.16451	3.0
203.08875	1.2
203.14262	1.4
205.12343	1.6
207.11696	4.1
207.13683	1.2
209.13316	6.2
211.11230	2.1
211.14792	3.8
213.12836	1.9
213.16405	3.6
215.14417	1.2
217.15854	7.1
219.11819	2.1
219.13719	1.2
221.13292	2.3
223.11263	2.2
223.14851	3.5
225.12828	2.2
225.16458	1.5
227.14264	1.6
227.17989	2.0
229.15729	1.2
229.19475	2.0
229.87413	1.2
233.13275	1.7
233.15491	1.2
235.14847	2.5
237.16443	3.9
239.17920	2.0
241.14294	2.8
241.19508	5.3
245.19063	1.5
247.14795	2.0
249.16403	1.8
253.15649	1.2
255.17513	4.6
257.19019	4.2
259.20657	8.4
262.26022	1.2
263.17914	1.2
265.19604	1.4
271.05942	13.9
271.08600	1.2
271.16949	2.2
272.06390	1.2
273.18445	27.1
275.18036	0.9
275.20135	9.5
279.15787	9.7
283.17511	1.0
283.20547	1.3
291.19489	35.4
307.20691	1.1
313.21634	1.1
315.23264	3.2
321.22125	1.2
323.20084	1.0
325.25815	1.3
327.26941	3.9
333.24341	5.6
337.21613	1.1
347.22113	8.8
349.24152	2.1
353.25021	1.4
365.23590	2.5
381.27835	1.5
459.32880	1.1
511.37686	2.0
513.36981	5.2
525.35919	1.3
527.37378	2.5
529.64795	1.2
531.38373	7.8
549.39240	6.7
551.37592	2.0
565.38794	2.3
567.40735	2.9
587.40131	2.0
595.43683	2.1
605.41833	19.1
623.42999	100.0
624.43372	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	625.154
Annotation	Kaempferol 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
53.03930	0.4
55.01862	0.2
55.05491	0.6
57.03422	0.6
57.99134	0.2
60.04507	0.3
63.02378	0.3
64.59167	0.2
67.01844	0.8
67.05479	1.2
68.99774	0.8
69.03423	2.0
69.07036	0.8
70.06567	0.5
71.04969	0.8
76.00576	0.2
78.50527	0.3
79.05469	1.1
81.03402	3.3
81.07037	1.8
83.04935	0.4
85.02894	2.2
85.06508	1.0
85.07618	0.3
86.09692	0.4
89.03360	0.4
89.03893	5.3
91.05466	1.7
93.07025	1.7
95.04934	0.9
95.08601	1.3
96.04503	0.3
97.02833	0.7
97.06499	0.6
99.04427	0.5
99.08058	0.3
103.05443	0.5
105.07011	1.1
106.04137	0.3
107.04932	0.8
107.08588	1.3
109.02860	1.8
109.06465	0.5
109.10149	0.8
111.04394	0.2
111.08049	0.3
117.03358	13.2
117.07026	0.4
119.04934	1.6
119.08572	0.8
121.02859	0.4
121.06468	0.4
121.10114	1.2
123.04441	0.3
123.08073	0.6
125.09591	0.4
127.03896	1.0
129.01804	0.2
131.04872	0.4
131.08572	0.3
133.10092	0.4
134.03601	0.9
135.04390	3.2
135.08040	0.6
135.11636	0.3
137.02338	0.8
137.05980	0.4
140.10628	0.4
143.08543	0.3
145.02823	30.5
145.10077	0.4
146.03125	0.7
147.04387	7.5
147.11667	0.5
149.05949	4.8
149.09560	0.3
151.03877	0.6
153.01797	6.2
158.05920	0.3
159.11729	0.5
161.02303	0.8
161.09651	0.4
161.13261	0.5
163.03886	3.6
163.07532	0.6
165.05475	0.5
167.06979	0.5
171.02827	1.7
173.09647	0.4
177.05435	72.3
178.05760	1.0
179.03397	0.5
181.04996	0.5
186.05479	1.8
187.11089	0.3
195.06502	0.8
219.06473	0.4
237.49683	0.2
241.04903	1.0
258.05157	1.2
259.06006	0.3
269.04211	0.3
271.05963	0.7
272.06393	0.5
273.06769	0.3
273.18469	0.4
286.04666	2.6
287.05444	100.0
288.05832	2.3
301.07013	7.1
302.07281	0.4
309.09735	0.4
321.09641	4.9
339.10733	2.4
409.27051	0.3
416.14435	0.4
421.05145	0.3
427.28104	0.3
501.10516	0.3
625.15033	1.5
625.32825	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1754
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
57.03417	1.7
65.70659	0.3
69.03422	0.7
70.06593	0.3
70.15621	0.3
71.04980	11.7
71.66474	0.7
73.02894	0.7
75.04462	0.4
81.03391	0.4
83.04964	0.6
85.02892	16.9
86.03240	0.3
87.04456	0.6
92.02611	0.6
93.03367	0.7
97.02872	1.4
99.04407	0.5
104.80309	0.4
109.02828	0.6
121.02892	0.5
127.03886	1.0
129.05429	3.7
139.03862	0.5
141.39578	0.3
145.04977	1.0
147.06473	1.1
151.03952	0.5
153.01808	4.1
163.03894	2.1
177.05469	0.4
210.14767	0.5
228.04085	0.6
229.04913	2.4
245.04578	0.5
246.05275	1.1
257.04449	2.0
273.03860	1.1
274.04633	2.8
285.03839	2.6
286.04678	1.2
287.05066	0.9
288.05533	0.7
301.06970	3.0
302.04254	9.2
302.07410	2.3
303.07526	2.4
317.06519	100.0
318.06879	2.9
346.80713	0.5
590.54669	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01862	1.1
55.05492	1.9
57.07062	0.7
58.51071	0.6
67.05499	4.3
69.07063	1.4
69.41835	7.1
69.60882	0.6
78.15966	0.7
79.05481	3.2
81.07040	3.8
83.08610	0.7
91.05467	3.5
93.07040	4.2
95.04949	1.2
95.08585	3.1
95.70589	0.7
97.06518	1.1
97.78268	0.7
99.08060	0.7
103.01443	0.6
105.07001	2.2
107.04961	1.0
107.08611	1.0
109.10157	1.2
110.31400	0.6
117.07006	1.3
119.08569	2.3
121.10147	1.3
123.08018	0.7
128.21820	0.6
129.07019	1.0
131.08566	2.1
133.10141	2.4
135.11690	0.9
143.08536	1.1
145.10146	2.1
147.11627	0.8
149.13234	1.1
157.10112	1.0
159.11694	1.4
161.13264	0.8
173.13307	0.9
179.14346	1.1
183.11639	0.8
273.18463	1.2
275.20096	1.0
291.19461	1.2
314.16531	0.6
363.16293	0.7
376.17255	0.9
377.17648	1.3
378.18436	0.8
389.17926	0.9
390.18396	1.6
391.19098	4.0
392.19965	2.2
393.21149	1.0
403.19424	0.9
404.20258	1.4
405.20709	10.1
406.21579	2.0
407.22256	5.5
417.20853	1.2
418.21582	1.3
419.22443	3.6
420.23227	2.7
421.23819	8.9
422.17297	1.1
422.24564	1.1
433.24014	2.8
434.24658	2.1
435.18262	1.7
436.18912	1.9
437.19669	0.8
445.20370	1.0
447.21756	1.0
449.19431	1.3
450.20514	2.2
451.21237	16.6
452.21838	4.7
461.23849	1.2
463.21158	1.9
464.22150	2.4
465.22778	14.6
466.23407	3.5
475.25491	1.4
478.23492	1.8
479.24484	2.6
487.21408	1.4
491.20731	1.4
492.21548	1.4
493.25906	11.9
494.26675	1.9
503.24661	6.7
509.21927	4.4
521.25458	8.6
522.26068	1.0
523.23352	9.6
537.24860	6.3
538.25665	20.9
547.23462	2.8
565.24347	11.5
566.25140	3.7
581.27527	7.0
607.25458	7.5
625.26508	100.0
625.44476	3.7
626.26868	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	625.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.7
53.03932	2.4
55.01867	5.3
55.05237	1.5
55.05503	30.0
57.03429	7.1
57.07073	2.2
57.57409	0.8
59.04998	2.0
65.03928	2.6
65.89537	0.8
67.05494	44.5
68.05801	1.1
69.03416	2.5
69.07053	19.9
71.04990	4.6
71.44534	2.3
76.32091	0.8
77.03919	1.0
79.05482	30.8
79.12865	0.9
81.03403	0.8
81.07044	48.5
83.04954	4.3
83.08609	18.4
85.06522	2.5
87.04510	1.1
91.05463	26.7
93.06439	1.0
93.07030	30.5
95.04967	5.2
95.08587	33.0
97.06525	6.7
97.10152	18.3
99.08054	1.7
105.07013	29.0
107.04942	2.1
107.08576	25.6
109.06513	2.8
109.10140	17.4
111.08080	3.7
115.05462	1.7
117.07010	15.4
119.08559	25.1
121.05688	0.8
121.10136	9.7
123.08044	2.2
123.11697	15.6
125.09615	12.2
128.06213	5.4
129.06987	14.9
131.08551	19.6
131.11145	0.8
133.10109	21.3
135.08046	2.8
135.11656	7.4
137.09560	1.7
137.13193	1.4
141.06967	8.5
142.07756	4.4
143.08539	22.5
144.09402	1.1
145.10112	21.1
146.10530	1.0
147.08072	1.6
147.11644	11.3
149.09624	1.8
149.13219	3.2
151.11172	2.8
153.07004	2.5
153.09111	1.0
154.07742	2.4
155.08537	15.0
156.09320	3.1
157.10104	20.6
159.11679	14.8
161.13225	7.1
163.11169	1.7
163.13451	0.9
163.14792	2.0
164.10655	1.4
165.06990	2.5
166.07898	0.9
167.08530	5.5
168.09311	2.9
169.10124	19.1
170.10893	1.9
171.10223	1.6
171.11667	20.2
171.13058	1.5
173.11818	1.7
173.13205	9.4
175.14830	3.3
175.27847	1.0
177.16451	1.0
178.07832	1.3
179.08537	3.1
180.09395	1.1
181.10077	9.8
182.10835	2.3
183.11665	20.3
184.12257	1.1
185.13211	16.0
185.14729	1.2
187.13277	4.9
187.14569	5.0
189.11250	6.8
189.16338	1.3
193.10170	2.7
195.11682	9.0
196.12451	1.4
197.13231	15.9
197.15015	0.8
198.13885	2.3
199.11177	1.2
199.14821	11.1
201.16364	3.1
205.10158	1.0
207.11690	2.9
209.13202	8.5
211.14778	10.3
213.16434	6.4
213.18188	0.9
215.17966	1.5
221.13289	4.8
221.15228	1.1
223.14754	7.3
224.15616	1.0
225.16388	7.5
227.12694	11.6
227.18008	2.8
229.19528	1.7
235.14799	2.8
237.16379	3.6
238.14618	1.3
239.14056	0.9
239.17937	7.0
241.15918	1.4
241.19728	4.5
243.15880	5.4
243.18170	1.0
247.14832	1.3
249.16451	1.9
251.17870	2.9
253.19505	4.1
255.21153	1.9
257.19104	2.9
259.20633	3.4
260.93845	0.9
263.17938	1.6
265.19647	2.2
267.21182	1.7
269.22665	0.9
275.20212	5.2
277.19586	1.1
279.21112	1.3
281.18893	0.9
295.20605	1.0
299.20084	1.0
301.21680	1.0
309.22037	1.7
311.23657	1.6
313.21628	1.0
313.51093	0.8
333.24686	2.1
335.23444	1.1
337.29202	1.1
339.23267	1.7
347.27423	1.2
349.24182	1.7
363.26932	2.1
365.24167	1.6
365.28387	12.9
377.28610	1.3
378.28604	1.1
381.27414	1.6
381.31671	5.7
383.29465	4.8
393.27612	1.2
407.29688	1.2
414.10559	1.2
421.30966	2.9
433.31293	1.3
439.31824	5.8
447.32193	1.0
451.31134	1.1
459.22098	1.2
473.23294	3.4
474.23151	1.1
479.24588	1.3
501.22995	1.4
503.24390	1.4
507.23721	4.0
513.35895	4.2
515.38861	8.2
529.35748	0.9
531.23694	2.1
532.23474	1.0
533.39868	9.7
537.35785	0.9
543.37073	1.2
547.23962	1.0
551.22437	1.5
551.41364	4.4
555.36652	1.7
569.41248	1.1
575.22607	5.7
576.21863	2.7
589.42499	2.3
593.23828	5.3
600.04675	0.9
607.25720	20.6
607.43433	38.3
608.25397	5.8
608.43469	4.0
625.27985	16.4
625.44513	100.0
626.26648	3.3
626.44818	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	625.445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.01863	11.5
55.05503	32.0
57.03446	7.2
57.07065	2.2
59.04998	1.3
60.52678	1.3
62.49519	1.1
65.03925	2.9
67.05497	51.0
69.03416	1.7
69.07060	24.2
69.50471	7.4
71.04968	5.8
77.03888	1.3
79.05479	34.1
81.03427	1.5
81.07042	52.8
83.04974	3.4
83.08608	16.8
85.06521	3.1
91.05462	31.2
93.07031	33.8
94.07322	1.3
95.04951	5.0
95.08588	30.7
97.06515	10.1
97.10150	11.5
98.21514	2.6
105.07011	33.6
107.04929	3.3
107.08570	23.1
109.06518	3.2
109.10127	20.7
111.08070	5.5
115.05457	2.7
117.06995	15.2
119.08567	22.9
121.06542	2.5
121.10127	13.1
122.25284	1.2
123.08022	2.2
123.11688	10.4
125.09626	9.9
128.06227	4.0
129.06993	18.7
131.08546	24.0
131.09444	1.7
133.06557	1.5
133.10110	19.7
135.08035	2.0
135.11673	7.2
137.09592	1.7
141.06038	1.4
141.06934	6.8
142.07784	5.1
143.08530	22.4
143.09612	1.6
145.06519	2.0
145.10089	24.6
147.08025	1.6
147.11658	15.3
149.09601	3.4
149.13258	4.0
151.11185	2.9
153.96878	1.2
154.07750	1.7
155.08548	13.8
156.09312	3.5
157.10086	21.4
159.07965	1.6
159.11667	17.4
161.13237	6.6
163.11188	1.8
163.14841	1.3
165.06960	1.9
167.08562	6.6
168.09305	3.3
169.10094	18.0
170.10893	2.3
171.08031	1.5
171.11644	17.4
173.11865	2.8
173.13217	11.9
175.11232	2.9
175.14816	3.7
179.14462	1.4
181.10063	9.5
183.11661	17.3
184.12332	1.2
185.09731	1.7
185.13228	15.0
187.13310	3.7
187.14868	5.2
189.11244	4.0
189.16422	2.0
193.10190	4.0
195.11681	7.5
197.13211	14.6
199.11334	1.5
199.14799	8.4
201.12837	1.8
201.16396	3.2
205.10194	1.7
207.11684	3.7
209.13225	7.8
210.14037	1.7
211.14842	9.6
213.16426	4.7
215.17920	1.9
221.13307	4.7
223.14813	6.4
225.16307	6.3
227.12694	5.8
227.18042	2.9
229.19576	2.2
233.13222	1.7
233.19069	1.7
235.14848	3.6
237.16411	3.6
239.17995	4.9
241.15984	1.6
241.19530	5.8
243.15962	3.2
249.16382	2.7
251.18050	2.7
253.19637	2.8
257.18912	1.6
259.20602	5.5
263.17963	1.9
275.20154	7.1
283.20407	1.5
295.20584	1.7
309.22253	1.6
315.23251	2.1
323.23886	1.3
325.25333	2.0
349.24240	3.9
363.26956	2.1
365.28363	7.2
367.26465	1.8
377.28653	1.8
379.29990	2.7
381.31500	3.7
383.29578	3.1
409.31006	1.7
421.31085	5.1
435.33093	2.6
439.32224	4.7
495.34543	3.8
501.35715	1.6
513.35712	18.3
515.38696	6.3
527.37134	2.3
529.35663	1.5
533.39960	11.5
551.40900	7.5
555.36377	2.3
589.42352	3.4
607.33783	2.2
607.43549	40.7
608.43927	2.3
617.85675	1.4
625.44556	100.0
626.44391	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	625.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.7
53.00304	1.6
53.03938	7.4
55.01865	37.8
55.05502	34.1
57.03424	11.6
57.07064	4.8
65.03926	2.6
67.05135	3.6
67.05495	71.9
67.59357	1.7
69.03426	3.1
69.07056	77.5
69.69901	6.6
69.70329	8.6
71.04976	4.7
71.08617	2.1
79.05019	3.6
79.05477	61.3
81.03402	8.1
81.07040	74.9
83.04967	9.7
83.08606	16.8
85.06547	3.6
91.05463	64.1
93.07027	51.9
93.07582	3.3
95.01295	3.4
95.04959	15.2
95.08587	52.9
97.06509	40.2
97.10155	5.3
99.08106	3.1
103.05441	2.9
105.07012	75.0
106.07326	2.2
107.04942	14.4
107.08569	31.1
109.06508	5.5
109.10155	19.3
111.08080	2.9
115.05437	4.5
117.06991	28.0
119.08556	48.9
121.06483	5.9
121.10140	23.0
123.08049	7.0
123.11701	4.3
125.09638	5.2
128.06226	7.2
129.06990	21.2
131.08549	47.5
133.10106	35.6
135.08018	5.2
135.11647	13.8
137.09602	4.8
139.11288	1.9
141.06943	9.0
142.07782	5.6
143.08537	30.7
145.06496	3.1
145.10097	39.0
145.11214	2.7
147.08072	4.3
147.11681	28.9
149.09583	9.5
149.13251	8.1
151.11130	2.8
153.07036	2.0
154.07721	1.9
155.08513	19.4
156.09392	2.2
157.10100	28.3
158.10786	2.3
159.11673	30.5
161.09634	3.2
161.13248	22.1
163.11185	4.7
163.14822	2.7
167.08574	8.7
167.95404	1.9
168.09338	2.6
169.10107	21.7
170.10884	2.5
171.08066	2.5
171.10208	3.5
171.11646	32.1
173.09709	2.1
173.13245	18.9
175.11215	3.2
175.14810	8.8
177.12762	4.3
179.08569	3.8
179.14342	6.1
180.09297	2.9
181.10110	9.9
183.11688	23.4
185.13208	21.8
187.11189	4.3
187.14774	9.1
193.10135	6.4
195.11719	10.9
197.13280	15.6
199.14764	11.7
201.12720	3.2
201.16344	4.1
205.10207	2.1
207.11699	3.2
209.13261	9.4
211.11211	2.5
211.14795	9.9
213.12772	3.5
213.16333	6.3
215.17928	4.0
221.13268	4.8
223.14824	8.0
225.16420	7.1
227.18016	3.4
229.19580	3.9
235.14809	4.2
237.16347	4.8
239.18001	5.5
241.19528	15.7
247.20631	2.1
249.16379	2.6
251.17955	4.1
253.19609	2.2
257.19119	9.2
259.20508	17.8
269.18875	1.8
275.20004	39.0
277.21649	3.3
279.21094	2.4
283.20642	3.0
285.22025	3.4
289.21582	2.7
293.21164	3.5
295.20596	2.6
303.20782	1.7
309.22153	2.9
311.23587	2.5
313.21603	2.2
315.23218	5.4
321.22226	2.1
325.21713	2.2
325.25244	3.3
327.23120	2.2
333.24243	15.4
335.68408	1.9
339.23212	3.0
349.23718	23.1
353.24673	2.7
417.31378	2.0
419.33105	3.7
421.30939	2.9
435.32626	7.6
437.34164	17.8
453.33725	3.0
455.35031	4.1
475.35678	2.1
481.33179	2.7
493.36722	3.6
495.34512	3.5
501.35947	3.1
509.36310	2.7
511.38025	11.5
513.35449	9.9
515.38721	9.7
527.37366	8.7
529.39014	7.0
533.39984	12.5
551.41144	11.8
555.36890	3.9
556.37885	3.9
589.42700	2.3
597.45496	2.6
607.43481	61.0
625.26239	7.5
625.44537	100.0
626.44531	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	625.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17633	1.1
53.03931	4.0
55.01862	46.8
55.05502	33.7
57.03431	10.5
57.07055	4.0
59.04988	1.3
65.03923	5.3
66.19122	1.0
67.05495	66.0
69.03397	1.9
69.07055	91.5
69.44680	12.1
71.04977	3.6
71.08625	1.6
75.80375	1.1
79.05019	2.5
79.05478	46.9
81.03398	5.4
81.07043	76.5
83.04970	8.3
83.08609	15.0
85.06534	6.3
91.05463	56.6
93.07027	57.8
95.01312	5.5
95.04947	10.4
95.08589	50.7
97.06516	50.7
97.07155	1.6
97.10153	7.1
99.08090	3.7
103.05477	2.1
105.07012	75.7
107.04941	16.8
107.08577	30.4
109.06487	5.9
109.10131	17.1
111.08064	4.6
115.05448	4.3
117.06998	26.6
119.08556	51.1
121.06466	3.7
121.10130	20.7
123.08064	7.2
123.11682	4.5
125.09605	6.6
128.06216	5.5
129.05507	1.4
129.06981	23.7
130.07777	2.5
131.08540	45.4
133.06473	4.2
133.10106	38.4
135.08058	5.5
135.11687	14.9
137.09584	3.2
137.13216	1.4
139.07581	1.2
139.11176	3.1
141.06964	10.6
142.07776	4.1
143.08536	32.4
144.09326	2.4
145.06572	2.6
145.10100	42.1
145.11220	2.2
147.08064	3.3
147.11665	31.1
149.09576	8.6
149.13223	6.6
151.11165	3.0
153.06987	2.6
154.07756	2.9
155.08536	18.0
156.09335	2.4
157.06471	1.8
157.10115	28.3
157.11403	1.7
159.08069	2.8
159.11671	31.5
160.49232	1.2
161.09607	2.9
161.13248	21.1
163.11191	5.3
163.14809	3.5
165.07008	1.4
165.09117	1.4
165.12688	1.8
166.07794	2.4
167.08505	7.0
168.09325	3.1
169.10101	23.9
170.10870	1.7
171.08049	3.7
171.10194	3.4
171.11655	28.1
173.09659	2.8
173.13231	21.0
175.11205	3.0
175.14784	11.2
177.12769	3.1
179.08589	3.2
179.14284	9.4
180.09251	2.5
181.10052	13.7
182.10886	2.1
183.11647	19.4
184.12379	1.3
185.09662	2.0
185.13226	20.3
187.11200	3.8
187.14813	7.4
189.12848	1.4
191.14409	2.0
192.09317	1.4
193.10168	5.1
195.11685	13.3
197.09862	1.1
197.13223	16.0
199.09404	1.2
199.11226	3.4
199.14799	14.3
201.12839	1.6
201.16364	4.4
203.14264	1.5
205.10139	1.9
207.11705	6.2
209.13210	10.1
211.14792	11.8
213.12746	2.6
213.16357	7.6
215.14340	2.1
215.17950	3.5
217.15852	2.2
219.17570	2.2
221.13269	4.1
223.14832	6.4
225.16388	5.2
227.14369	2.4
227.17989	3.0
229.19475	3.1
231.17490	1.2
231.21077	2.2
235.14839	5.1
237.16373	4.6
239.17918	5.9
241.14085	1.6
241.19453	19.0
245.18985	1.6
247.14749	2.0
247.20638	1.6
251.18028	3.0
253.19666	1.5
255.17401	1.8
255.21240	1.9
257.18967	10.3
259.20547	21.3
260.20920	1.2
265.19455	2.8
267.20947	1.6
269.22568	1.2
273.18594	3.7
275.20013	48.6
277.21777	5.1
279.15982	2.8
279.20941	2.5
281.19052	1.5
283.20581	2.3
285.22028	1.3
285.67303	1.4
291.19427	1.6
293.21176	4.4
297.22137	3.6
299.23807	2.6
301.21597	1.7
311.23691	2.5
313.21722	3.3
315.23221	5.4
323.23654	2.7
325.25272	2.2
329.24814	2.1
331.22705	2.4
333.24219	22.5
337.25082	2.3
339.23087	2.1
339.26898	1.4
341.24667	1.8
349.23624	28.8
353.24741	3.2
355.26147	1.5
363.26968	1.4
367.26138	2.3
391.29932	1.7
409.30978	2.4
417.31479	3.3
419.33392	6.0
421.31000	3.3
435.32584	10.4
437.34064	18.4
455.35208	3.6
475.36194	2.2
481.33444	2.7
493.36963	4.4
495.34738	2.8
501.35745	3.3
505.40424	2.3
509.36157	4.2
511.37735	16.0
513.35657	13.8
515.38812	7.5
527.37463	5.5
529.38464	7.1
533.39856	14.7
537.35773	1.6
538.36639	2.1
551.40936	9.3
553.39471	2.2
555.36920	5.2
556.37561	3.9
589.42371	1.8
597.45123	3.0
607.43549	57.8
608.44049	2.6
625.28058	2.7
625.44525	100.0
626.44879	5.8
653.63800	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.8
53.03928	4.7
53.82288	1.6
55.01862	13.5
55.05507	39.0
57.03432	10.1
57.07056	4.2
61.86026	1.8
64.91251	1.9
65.03922	4.0
65.39919	1.6
67.05497	62.7
67.42027	1.6
69.03412	3.0
69.07058	32.4
69.47843	15.4
71.04980	7.3
71.08621	1.9
73.25927	1.7
73.91948	1.5
75.23186	1.7
79.05482	50.1
79.05927	3.4
81.03397	3.3
81.07044	64.0
83.04964	6.7
83.08620	17.4
85.06517	2.6
91.05469	49.4
93.07031	44.5
95.04964	11.1
95.08597	45.1
97.06519	17.3
97.10158	15.9
103.05460	2.3
105.07020	39.6
107.04950	4.1
107.08573	36.2
109.06533	4.7
109.10140	24.0
111.08054	4.6
112.04594	1.5
115.05425	3.6
117.07002	22.3
119.08566	35.6
120.08913	1.7
121.06493	3.1
121.10124	17.5
123.08064	4.3
123.11687	9.3
125.09617	8.5
125.20481	1.5
128.06238	4.6
129.06982	17.2
131.08551	27.3
133.10118	30.0
134.10457	1.8
135.00481	1.7
135.08089	4.5
135.11646	11.9
137.09599	2.9
141.06966	8.9
142.07773	4.8
143.08545	21.0
145.06508	1.7
145.10114	28.8
147.08099	2.0
147.11682	14.8
149.09619	6.7
149.13292	4.7
151.11130	1.8
153.07053	2.6
155.08572	13.2
156.09351	1.9
157.10110	21.4
159.08080	2.3
159.11679	20.9
161.09683	2.2
161.13248	8.0
163.11215	4.5
163.14832	3.2
165.07013	2.1
167.08563	6.8
168.09311	3.5
169.10109	22.8
170.10812	1.8
171.11649	19.8
173.09698	2.2
173.11942	2.8
173.13222	11.0
175.11235	3.4
175.14803	4.3
179.08586	2.7
179.14304	2.6
181.10106	10.6
183.11664	22.0
184.12462	1.7
185.13246	15.2
187.11311	1.8
187.13336	3.5
187.14861	9.6
189.11215	4.0
193.10155	4.3
195.11671	10.6
197.13252	17.1
199.11302	2.1
199.14874	9.2
201.12703	2.1
207.11780	3.6
209.13205	10.0
211.14685	9.1
213.16406	7.0
215.17969	3.8
221.13286	3.5
223.14883	7.2
225.16466	7.0
227.12665	3.6
227.18028	5.2
229.19424	3.2
233.13269	2.1
235.14841	4.5
236.15698	1.6
237.16431	5.2
239.18007	4.4
241.15932	2.1
241.19475	8.0
242.20044	1.9
243.15961	3.7
245.19035	1.8
249.16344	3.2
251.18053	2.3
253.19547	3.9
255.21059	1.9
257.19003	4.3
259.20508	9.8
263.17856	2.3
267.21033	2.3
269.18732	1.9
273.18414	2.7
275.20093	14.1
276.20352	2.0
297.22116	2.3
315.23169	3.3
331.22607	1.8
333.24203	5.9
337.25027	2.5
349.23932	7.5
353.24667	2.1
361.24979	2.5
365.28510	6.8
381.31693	3.2
409.31009	2.6
421.31171	5.5
439.32181	5.7
469.69318	2.0
495.34808	3.9
499.34268	2.3
501.35492	2.6
513.35669	24.3
515.38861	7.7
527.37360	3.5
533.39844	12.7
551.40741	7.7
589.42706	3.8
607.43591	51.8
608.44031	3.3
625.44568	100.0
626.44934	7.1
633.35632	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91458	1.0
53.03931	4.0
54.44878	1.0
55.01867	11.1
55.05502	33.3
56.07494	1.3
57.03426	6.1
57.07059	3.7
59.04988	1.8
61.56859	1.3
63.04531	1.1
65.03935	2.7
65.71279	1.2
66.20393	1.3
67.05493	62.9
69.03422	2.4
69.07059	27.0
71.04981	5.1
79.05479	42.3
79.54819	1.1
81.03411	3.7
81.07041	58.6
83.04963	4.7
83.08603	16.5
85.06540	2.6
90.67613	1.3
91.05462	41.9
93.07028	43.9
95.04958	9.0
95.08589	37.0
97.06508	13.9
97.10136	9.2
99.08043	3.0
103.05433	2.0
105.07009	45.3
107.04935	4.9
107.08572	28.0
108.00198	1.2
109.06536	5.2
109.10144	23.2
111.08062	4.6
114.12664	1.5
115.05482	3.6
117.07008	21.5
119.04857	1.3
119.08556	34.1
121.06487	3.9
121.10125	20.7
123.08038	4.9
123.11674	6.9
125.09639	5.5
126.75198	1.1
128.06227	4.6
129.06990	17.8
130.07825	2.0
131.08540	28.8
131.09453	2.2
133.10112	28.5
135.08025	3.9
135.11670	11.6
137.09627	2.7
139.11159	2.7
141.06966	8.1
142.07744	2.9
143.08545	24.4
145.10106	28.2
147.08023	3.5
147.11658	16.8
149.09578	8.5
149.13248	5.4
151.11183	2.5
153.07025	2.0
154.07756	2.4
155.08540	15.3
156.09323	3.7
157.10094	21.7
159.08052	2.5
159.11668	23.4
161.09584	2.5
161.13245	9.8
163.11177	4.5
163.14821	3.1
165.06966	1.6
165.12766	2.3
167.08507	6.1
168.09312	1.9
169.10109	17.3
171.08055	2.3
171.11665	17.4
173.09601	3.1
173.11835	2.3
173.13220	12.5
175.11188	2.3
175.14821	4.9
177.12726	2.0
179.08473	2.6
180.09297	1.5
181.10074	9.5
183.11671	16.4
185.09666	1.5
185.11705	2.0
185.13228	14.7
187.11131	2.5
187.14775	8.0
189.11246	2.2
189.12758	2.5
193.10136	2.6
194.10869	2.1
195.11685	10.5
197.13185	12.9
199.13199	2.4
199.14847	7.2
201.12778	1.3
201.16383	6.0
205.10301	1.5
207.11742	4.7
209.13147	7.7
211.14745	7.0
213.16406	4.4
215.17924	2.5
217.19623	1.3
218.46170	1.3
221.13307	4.6
223.14850	5.3
225.16423	4.2
227.12747	2.4
227.17972	3.1
229.14165	1.5
229.19453	1.5
233.13405	1.4
235.14804	3.0
237.16389	5.1
239.18022	4.5
241.15811	1.6
241.19452	6.8
243.15804	1.6
247.20586	1.6
249.16356	1.3
253.19635	1.8
257.19040	3.8
259.20554	9.6
265.19543	2.0
273.18622	4.1
275.20087	12.3
277.21863	2.5
283.20615	2.4
285.22049	1.6
289.21552	1.9
295.20700	1.8
297.22144	2.0
307.20557	1.5
309.22018	1.8
315.23212	4.3
321.22119	1.5
327.23328	2.3
333.24338	3.9
339.23013	1.6
341.24625	1.7
343.51480	1.5
349.23557	6.4
353.24399	1.6
363.26691	1.6
365.24353	1.9
365.28485	6.4
378.79144	1.3
379.30127	3.9
381.31622	2.5
383.29355	1.9
397.31061	1.3
403.29852	2.0
415.29440	1.6
421.31055	4.5
429.29996	2.1
439.32227	2.3
495.34607	3.5
497.36560	2.4
501.35263	1.8
513.35681	20.6
515.38666	7.9
527.37262	4.3
533.39728	13.1
537.35822	1.5
551.40845	11.4
555.37323	2.9
567.40955	1.7
569.41736	2.0
589.42365	1.8
597.45197	1.9
607.43457	45.1
608.43848	3.3
625.44543	100.0
626.45001	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	625.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66985	1.2
53.03931	5.7
55.01871	13.0
55.05502	41.2
57.03432	11.9
57.07056	4.8
65.03922	3.0
67.05495	72.1
69.03417	3.6
69.07059	37.8
71.04967	5.9
71.08640	2.4
71.15507	1.4
71.15853	3.4
79.05479	56.2
81.03413	4.1
81.07045	78.5
82.07379	1.7
83.04977	7.1
83.08162	2.1
83.08612	22.1
85.06517	4.3
91.05010	1.1
91.05464	54.7
93.07030	55.3
94.07365	1.7
95.04950	9.9
95.08595	53.5
97.06518	15.2
97.10153	14.3
99.08084	3.9
103.05446	2.0
105.07018	51.4
105.07727	3.1
106.07311	2.5
107.04938	6.4
107.08569	38.1
107.09238	2.5
109.06511	8.5
109.10148	28.6
111.08066	5.1
113.09619	2.1
115.05461	2.1
117.07007	26.4
119.08559	42.4
120.08878	1.5
121.06514	3.4
121.10123	24.2
123.08060	5.3
123.11671	12.7
125.09585	10.5
127.12870	1.5
128.06198	7.1
129.06973	24.6
130.07791	3.9
131.08546	37.4
133.06474	3.7
133.10124	34.8
135.08014	7.0
135.11678	13.5
137.09587	6.7
139.11186	2.6
141.06989	9.9
142.07756	5.3
143.08545	28.2
144.09334	2.2
145.06480	3.0
145.10089	33.5
147.08072	3.0
147.11664	23.9
149.09636	5.3
149.13231	5.8
151.11159	3.0
153.06920	2.8
154.07730	1.8
155.08524	19.7
156.09317	2.2
157.10103	30.6
158.10753	1.5
159.08054	4.7
159.11681	27.7
160.12071	1.8
161.09598	4.4
161.13246	12.1
163.11201	4.8
163.14763	2.9
165.07025	2.2
165.12799	2.8
166.07710	1.5
167.08588	11.1
168.09366	2.9
169.10106	25.2
170.10770	1.6
171.08049	2.1
171.10220	2.8
171.11658	26.2
173.09613	2.7
173.11797	2.0
173.13206	17.5
175.11215	4.0
175.14832	5.0
177.12798	2.6
178.07819	1.4
179.08539	4.2
179.14351	5.0
180.09312	1.6
181.10101	12.0
182.10950	2.0
183.11673	23.0
184.12283	1.5
185.13219	19.6
187.11232	3.1
187.13318	2.4
187.14742	9.1
189.11246	4.8
189.12788	2.2
193.10138	4.3
194.10924	1.7
195.11642	12.8
196.12401	1.8
197.13235	19.7
198.13840	1.5
199.11197	1.7
199.14793	11.6
201.12753	2.3
201.16386	4.7
205.10101	1.7
207.11719	7.3
209.13177	10.6
211.11217	1.8
211.14760	11.4
212.15469	1.7
213.12688	3.3
213.16400	9.2
215.17961	3.0
219.11662	2.9
221.13324	5.1
223.14856	8.2
224.15427	1.7
225.16290	7.9
227.12672	3.3
227.17886	4.0
229.19473	2.4
231.21329	1.6
235.14815	3.1
237.16365	6.2
239.17935	5.9
241.15927	1.7
241.19551	6.7
245.13301	1.7
245.19128	2.6
247.14893	1.8
249.16386	5.2
249.51868	1.5
251.17963	4.6
253.19557	3.4
257.18988	4.7
259.20444	6.4
265.19580	1.9
267.21072	2.3
271.20575	2.0
273.18515	5.4
275.20132	13.2
276.20428	2.7
277.21692	2.4
279.20898	2.3
283.20447	1.8
295.20395	2.0
297.22018	1.7
299.20108	1.8
309.22400	2.1
311.20169	2.0
311.23550	3.0
313.21634	3.0
321.21930	1.5
323.23608	2.7
327.23218	1.9
329.24872	1.9
333.24310	4.6
335.23117	1.7
337.25418	1.7
339.23132	2.2
339.26926	2.5
341.24942	1.6
347.22510	2.3
349.23926	6.4
361.25162	2.5
363.26996	1.7
365.28503	6.3
369.28079	2.1
381.31833	3.1
383.29596	2.6
391.30045	1.6
419.29480	1.6
421.30917	4.8
437.34497	2.2
439.32141	3.0
445.30780	2.1
451.32910	1.8
463.31326	2.0
495.34625	2.3
513.35712	17.8
515.38727	12.8
527.37134	4.1
528.76849	1.6
533.39874	12.8
534.40405	2.2
551.40820	9.0
555.36761	2.1
589.42493	3.2
607.43561	48.9
608.43951	3.8
625.44513	100.0
626.44891	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	625.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.1
55.01860	18.6
55.05505	32.8
57.03435	8.5
57.07057	4.8
58.07376	1.6
59.04989	1.8
60.96323	1.5
65.03925	2.6
67.01958	1.3
67.05138	3.2
67.05496	66.2
69.03423	3.5
69.07059	43.4
69.50538	11.9
71.04972	5.6
71.08602	2.0
79.05482	51.0
81.03405	3.2
81.07042	57.4
83.04966	5.6
83.08602	14.8
85.06537	3.5
91.05465	45.5
93.07030	47.9
95.01261	2.0
95.04951	10.7
95.08589	43.1
97.06513	18.8
97.10166	10.7
98.67609	1.3
99.08061	2.8
105.07010	43.1
107.04957	6.7
107.08574	26.2
109.06524	7.0
109.10142	22.9
111.08051	4.8
115.05408	3.3
117.07009	24.2
119.08559	34.4
121.06464	2.2
121.10117	18.3
123.08044	4.3
123.11700	6.4
125.09625	7.6
127.07527	1.5
128.06207	6.3
129.06985	23.2
131.08540	34.0
133.06537	1.9
133.10104	29.1
135.08026	3.4
135.11707	10.6
137.09601	4.9
137.13237	1.7
141.06976	10.2
142.07741	4.7
143.08548	26.4
145.06500	2.1
145.10107	30.9
146.10510	1.9
147.08049	2.0
147.11668	17.2
149.09644	8.3
149.13231	5.7
151.11165	4.6
154.07726	2.0
155.08511	20.3
156.09329	2.9
157.10103	28.1
159.08075	2.0
159.11659	22.1
161.09601	2.8
161.13254	11.1
163.11172	5.2
167.08571	6.2
168.09305	2.7
169.10121	21.5
171.08043	2.5
171.11658	24.3
173.09593	2.8
173.11821	2.9
173.13231	13.2
175.11177	2.3
175.14815	4.1
177.12698	2.5
177.16428	1.9
179.08502	3.5
179.14352	4.2
181.10065	10.6
182.10841	2.1
183.11655	17.1
185.09573	2.8
185.13220	16.1
187.11212	3.2
187.13283	2.3
187.14763	7.8
189.11166	3.2
189.12729	2.4
193.10173	2.8
195.11667	11.8
197.13269	15.0
199.11191	2.6
199.14853	9.5
201.12724	1.6
201.16367	4.9
205.10168	2.6
207.11662	3.9
209.13206	8.6
211.14801	6.3
213.12900	1.8
213.16377	4.9
215.17863	2.1
219.11714	2.2
221.13295	3.4
223.14763	9.6
225.16379	7.9
227.12784	4.0
227.17935	3.6
229.14290	2.9
231.21039	2.3
235.14787	3.8
237.16299	3.1
239.17998	4.3
241.19536	10.6
248.57813	1.6
249.16370	3.2
253.19563	2.8
255.17303	1.7
255.21149	1.6
257.19000	4.2
259.20505	10.9
267.21149	1.9
273.18616	3.7
275.20023	14.7
277.21780	3.1
285.22003	2.2
291.19702	2.9
293.21149	1.8
295.20456	1.5
297.22116	3.2
311.23734	1.8
315.23227	3.4
321.22244	2.2
321.25781	1.5
323.23715	3.4
329.24652	1.6
331.22443	1.8
333.24396	7.8
335.23657	1.9
349.23712	7.5
353.24680	2.0
363.26950	2.7
365.28409	2.5
379.29959	4.0
381.31744	2.4
395.84494	1.5
401.27078	1.6
403.29517	3.7
409.30975	2.2
421.31177	6.0
435.32535	3.7
437.34155	5.2
439.32147	4.2
445.30814	2.3
495.34808	1.8
497.36847	2.2
511.37753	4.4
513.35748	21.0
515.38916	8.4
527.37012	7.4
529.38574	2.8
533.39777	14.7
551.41437	8.4
556.38043	1.9
589.42566	2.8
597.44873	3.2
607.43481	50.6
608.44592	2.3
625.28210	4.8
625.44501	100.0
626.44769	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	625.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05774	2.2
53.03933	6.7
55.01867	40.1
55.05505	32.3
57.03423	12.5
57.07054	3.0
65.03924	5.0
67.05495	84.6
67.96687	2.4
69.03416	4.2
69.07056	81.1
69.39307	28.2
71.04974	4.7
79.05478	55.1
81.03416	7.8
81.07047	72.4
83.04984	9.3
83.08602	14.6
85.06504	4.2
91.05465	69.4
93.07030	63.9
95.01333	5.9
95.04947	19.5
95.08588	68.0
97.02887	4.3
97.06509	40.6
97.10163	7.0
98.21485	3.9
105.07012	64.7
107.04940	16.7
107.08578	32.7
109.06512	9.5
109.10131	16.2
111.08071	5.7
115.05457	3.7
117.07001	28.4
119.08550	50.4
121.06497	6.0
121.10130	23.1
123.08068	8.6
123.11705	5.3
125.09592	5.5
127.28291	2.3
128.05341	2.6
128.06226	4.3
129.06979	19.2
131.08553	45.1
133.06488	2.7
133.10095	36.0
135.08006	7.3
135.11696	17.0
137.09586	5.2
141.06985	6.0
142.07724	5.3
143.08539	25.7
145.06392	4.2
145.10092	33.0
147.08064	4.5
147.11665	28.1
149.09612	9.6
149.13235	9.6
155.08536	19.6
157.10107	27.1
157.23212	2.3
159.08058	2.5
159.11659	29.4
161.09566	2.4
161.13226	15.1
163.11157	7.8
167.08533	8.0
169.10059	17.2
171.11636	25.0
173.13254	21.1
175.11311	3.2
175.14784	9.3
177.12717	5.8
179.08537	3.3
179.14330	5.0
181.10114	10.6
182.10924	2.5
183.11674	18.2
185.13252	17.8
187.11156	4.8
187.14813	8.1
189.11229	2.7
193.10136	3.2
195.11679	10.3
197.13261	16.1
199.14755	13.3
201.16354	2.6
207.11717	5.1
209.13274	11.2
211.14853	7.7
213.12685	3.5
213.16319	7.1
219.17505	2.9
221.13252	5.7
223.14795	5.7
225.16405	4.2
227.17863	3.3
231.20959	3.2
235.14767	3.7
237.16292	4.0
239.18066	3.2
241.19484	20.5
255.17390	2.5
257.19061	9.1
259.20557	17.1
269.18970	3.0
273.18475	8.4
275.20050	37.2
291.19461	38.4
293.20987	2.8
297.22198	3.0
301.43307	2.5
315.23129	5.5
333.24298	17.6
337.25269	3.1
341.24811	3.6
347.22171	3.9
349.23654	19.2
381.27792	3.4
419.32813	3.2
433.20065	2.8
435.32593	8.2
437.34335	21.6
449.18912	4.3
455.35004	3.8
463.20200	5.5
477.22342	5.4
478.22556	8.3
487.23465	5.2
488.20868	2.5
491.23151	3.7
501.35669	3.4
505.24875	4.7
509.36588	3.3
511.37567	8.7
513.35553	6.2
515.38678	6.2
517.24841	4.8
527.22522	2.8
527.37549	3.6
529.38776	6.5
533.24500	8.8
533.39288	12.8
537.35919	3.0
551.25342	10.3
551.40900	9.6
555.36426	5.3
556.37653	3.9
561.23700	6.6
593.26593	29.0
597.44781	3.3
607.43341	50.1
625.28882	68.2
625.44373	100.0
626.28687	5.1
626.44855	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.01850	0.6
57.03408	0.5
59.80370	0.1
61.02918	1.1
67.05483	0.2
68.99769	0.4
69.03098	0.2
69.03419	2.2
70.06561	0.4
71.04959	0.4
71.10143	0.3
73.02888	0.3
81.03395	1.2
85.02890	6.9
87.04482	0.2
91.03941	0.3
93.03375	0.3
95.08568	0.2
97.02873	2.4
99.04432	0.4
101.05986	0.3
105.06908	0.1
107.08608	0.2
109.02864	1.0
111.00778	1.0
111.04355	0.2
121.02853	0.8
121.06496	0.1
123.04364	0.3
127.03903	1.7
135.04390	0.2
137.02312	2.3
138.09109	0.2
145.02837	0.2
145.04945	1.1
145.06020	0.2
145.06398	0.1
147.04350	0.3
149.02318	0.4
149.05949	0.2
153.01782	3.3
161.05975	0.2
163.03896	0.8
165.01781	1.8
173.05966	0.6
177.05386	0.2
183.02888	0.7
183.04239	0.2
187.03864	0.4
201.05440	1.2
219.06499	0.2
221.13521	0.1
229.04922	4.1
229.07213	0.2
237.02725	0.1
247.05989	0.7
257.04416	2.4
264.17105	0.2
271.05969	1.2
272.06299	1.4
273.06525	1.6
274.04553	0.5
274.06827	0.5
275.07227	0.2
285.03870	1.2
287.05368	0.7
288.05859	0.3
289.06009	0.5
303.04932	100.0
304.05304	2.7
345.06207	0.2
362.67075	0.2
465.10208	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2804
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.01862	1.1
55.05501	2.6
57.03413	0.9
67.05495	5.5
69.07052	3.3
70.02934	0.7
70.22852	1.3
70.23272	2.5
71.05004	0.6
71.08621	0.8
79.05473	4.0
81.03421	0.9
81.07050	5.7
83.04929	1.7
83.08594	1.7
91.05467	3.5
93.07003	3.6
94.06564	0.6
94.71873	0.7
95.04975	1.5
95.08579	3.5
97.06496	1.0
97.10187	0.8
99.08076	1.0
105.06990	3.3
106.06622	1.0
107.08588	2.5
109.10120	2.0
116.44391	0.7
117.07011	1.7
118.67854	0.8
119.08556	2.4
121.10156	1.9
129.06984	2.3
131.07376	1.0
131.08560	2.6
133.10126	2.2
136.07581	1.7
143.08571	0.9
145.10123	2.0
147.11679	1.3
151.11188	1.1
157.10117	0.9
158.09666	0.9
159.11737	1.2
163.11229	0.8
167.08534	0.9
169.10130	0.9
170.09698	0.9
171.11674	1.4
172.07610	0.8
172.09956	0.8
173.08324	0.7
173.13167	0.8
174.09111	5.1
183.11702	1.8
185.13397	0.9
186.09094	1.1
187.08669	1.5
187.12282	5.0
188.10751	2.8
196.10074	0.8
197.10799	1.4
197.13234	0.9
198.09184	1.3
199.14853	0.8
210.07782	1.3
211.08658	1.9
212.09445	0.9
213.10201	1.4
215.11850	3.3
218.89639	0.8
223.08632	0.8
224.09470	2.5
225.10201	3.4
226.10901	0.9
227.11754	3.7
235.08762	1.4
237.10063	1.2
238.11020	0.9
239.11774	3.1
241.13385	2.7
243.11267	26.3
248.09644	1.0
249.10181	1.6
250.11079	0.8
251.11832	1.5
252.08989	1.3
253.09760	2.6
260.40601	0.7
261.10141	0.8
263.11676	1.2
265.09622	1.0
267.11276	6.9
268.11948	0.9
269.12885	2.4
277.09711	2.7
277.21594	1.2
285.12271	3.3
295.10846	3.3
299.14053	1.3
300.11441	1.0
301.15515	4.6
302.12729	1.2
304.10968	1.1
309.12375	1.7
314.12988	2.0
315.13580	1.7
316.10754	1.3
316.14297	1.2
317.11575	1.0
319.10818	1.1
325.15536	8.5
326.12839	1.0
327.13333	7.4
328.10806	2.4
328.14435	2.2
329.11664	1.9
330.12335	3.4
330.15930	0.9
331.13281	0.9
334.15643	1.9
335.13165	1.1
336.13354	0.8
341.11606	1.0
342.12537	3.6
342.16309	0.9
343.13098	4.4
343.16797	0.9
344.13821	4.2
345.14606	1.3
346.15564	2.7
348.13391	3.0
351.13629	1.4
354.12448	1.0
355.13611	1.2
356.13919	5.4
357.14728	2.7
358.11813	0.8
358.15384	3.7
368.13916	1.0
370.11401	1.0
370.15567	2.8
371.16302	1.6
372.13162	1.2
372.17081	6.0
374.14786	1.0
374.19095	1.0
384.17282	1.0
386.14679	1.5
386.18961	1.7
398.15082	1.1
400.16699	2.6
403.15878	1.2
404.16827	1.2
406.18378	0.9
407.15091	1.3
410.14243	0.8
412.16263	1.0
416.15811	1.4
417.16513	1.0
418.17581	1.5
421.12363	1.0
421.17093	1.0
430.17664	1.6
431.18652	2.0
432.19437	3.6
435.14169	1.9
436.14914	1.4
437.20023	1.5
447.22549	4.0
448.20691	1.0
449.20395	1.4
450.16452	1.5
451.17719	2.9
459.17950	1.2
460.18433	1.7
461.23969	1.8
462.23935	2.6
463.21939	3.5
464.18420	1.4
465.18802	14.7
466.19797	1.0
472.18750	0.9
474.20474	1.1
475.21326	1.5
476.20313	1.3
478.20230	2.2
479.20563	6.7
480.21307	3.9
481.22101	4.0
489.22501	1.4
490.20999	1.3
491.20874	2.0
492.21658	3.4
493.22928	5.2
494.22815	1.1
495.16602	3.9
504.21310	3.4
505.19214	0.9
507.24075	5.6
508.20633	1.3
513.35876	1.7
517.22528	2.0
520.21027	1.2
521.21393	1.1
521.26086	0.7
527.28082	0.8
529.38110	2.2
535.23352	8.2
537.21594	0.9
541.24835	0.9
549.24847	12.9
550.24969	1.5
552.24017	1.3
553.24335	1.7
554.25134	0.8
563.22876	1.4
567.18811	5.1
567.26025	74.3
568.18945	0.9
568.26581	5.9
577.24780	1.5
581.28223	0.9
595.25421	50.3
596.25922	4.1
608.21362	1.1
609.45026	2.9
627.28058	100.0
627.45508	5.5
628.21088	3.7
628.30145	6.0
654.99133	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11700	2.9
53.03931	6.8
55.01861	22.5
55.05505	46.7
57.03429	15.3
57.07064	5.7
59.04976	3.0
65.03929	8.0
67.05495	93.1
69.03401	4.7
69.07063	42.0
70.28344	9.6
71.04977	8.4
71.08620	5.0
77.03894	3.0
79.05485	72.2
81.03394	5.6
81.07044	96.3
83.04973	9.2
83.08594	23.0
85.06518	5.1
91.05460	55.9
93.07029	70.1
93.07578	4.7
95.04971	13.0
95.08594	73.1
97.06520	25.6
97.10147	14.2
99.08083	6.5
105.07012	69.9
107.04942	10.1
107.08573	48.2
107.09244	4.2
109.06516	7.6
109.10146	39.2
111.08070	5.9
113.09704	3.0
115.05438	5.4
116.06294	3.2
117.06998	28.8
119.08559	50.4
121.06464	2.6
121.10126	31.5
123.08080	3.2
123.11707	13.6
125.09638	12.0
128.06277	3.1
129.06961	15.5
131.08548	44.7
131.09448	3.9
133.06480	3.6
133.10112	45.1
135.08069	4.1
135.11656	18.8
141.06990	6.9
142.07782	3.8
143.08546	22.5
145.10083	45.5
147.11668	26.5
149.09615	13.2
149.13260	12.3
154.07780	2.7
155.08588	11.5
157.10097	23.2
159.08025	3.0
159.11665	33.6
161.13272	11.6
169.10100	19.5
171.11676	24.2
173.13213	22.5
175.14833	6.4
179.14137	4.2
181.10147	10.1
181.12268	4.1
183.11726	12.5
185.13242	16.0
187.14864	8.5
189.11264	5.5
195.11758	9.8
197.13274	12.4
199.14818	9.3
201.16370	4.6
209.13264	7.6
211.14854	8.3
213.16397	7.4
215.18033	3.7
223.14867	5.3
225.16333	6.5
227.12817	9.2
227.18057	4.6
229.14349	6.6
229.19600	3.4
237.16383	3.0
239.17859	3.8
241.19565	3.3
257.19052	5.9
259.20612	5.5
261.22150	5.0
275.20013	37.6
275.22733	4.1
277.21704	4.7
285.22049	2.8
289.21716	3.1
293.20807	3.6
297.22083	5.7
315.23135	3.1
317.24792	5.1
333.24448	3.8
335.25845	19.0
349.23907	12.3
357.28186	3.6
367.30023	5.9
381.31598	5.2
423.32498	4.9
441.33801	3.4
501.00708	2.9
515.37256	36.3
517.40485	11.5
529.39301	4.6
535.41174	15.3
553.42297	14.6
592.44659	3.7
609.44989	87.2
610.45398	8.5
627.28943	3.9
627.46094	100.0
628.46350	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	627.4609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.6
55.01863	18.9
55.05504	34.3
57.03432	11.1
57.07064	4.5
65.03922	5.7
67.05495	95.5
69.03412	6.5
69.07055	37.1
69.37920	19.5
71.04975	7.4
71.08620	3.5
79.05482	72.1
81.03419	3.8
81.07046	100.0
83.04965	10.2
83.08608	17.1
85.06530	6.0
91.05466	65.2
91.06041	3.4
93.07031	71.5
95.04958	11.8
95.08591	64.0
97.06511	24.6
97.10145	9.9
99.08075	5.5
103.05453	3.0
105.07014	60.6
107.04921	12.6
107.08579	54.6
109.06503	8.7
109.10143	30.2
111.08073	6.8
113.09628	1.8
115.05432	1.9
117.07008	23.2
119.08567	44.5
121.06508	5.4
121.10126	31.3
123.08096	7.4
123.11687	11.8
125.09583	7.4
128.06212	2.7
129.05527	2.2
129.06993	8.6
130.07744	1.6
131.08542	32.4
133.06448	2.7
133.10110	32.8
135.08063	6.5
135.11674	17.9
135.12527	2.0
137.09578	5.5
139.11176	4.2
141.06993	3.5
142.07813	1.6
143.08554	11.1
145.10101	33.4
147.08076	2.9
147.11656	29.8
149.09601	14.0
149.13211	10.5
151.11180	3.9
155.08580	5.0
157.10103	10.1
159.11670	21.1
161.13240	14.4
163.11246	8.0
163.14835	5.1
165.12782	4.1
169.10194	8.1
171.10440	2.2
171.11676	11.8
173.09689	2.3
173.13222	13.5
175.11214	2.7
175.14856	5.8
177.12744	3.6
177.16573	2.1
179.14279	7.7
181.10168	3.0
183.11624	7.7
185.13319	7.0
187.11166	2.5
187.13281	2.1
187.14781	6.1
189.11259	3.0
189.16402	3.3
195.11707	3.7
197.13269	7.0
199.14818	4.3
201.16426	3.2
205.15681	2.0
209.13274	3.2
211.14821	3.6
213.16418	4.1
215.17850	2.5
219.17384	3.8
223.14859	2.2
225.16486	2.5
227.12813	4.6
227.17868	2.7
229.19501	3.4
239.18030	5.2
241.19434	2.4
243.21120	4.2
247.20593	2.8
257.19052	9.7
259.20508	7.2
261.22116	8.7
267.16119	2.9
273.18460	2.8
273.21753	1.7
275.20026	55.6
277.21701	6.3
279.23154	1.7
291.19598	1.8
293.21115	5.8
315.22855	2.0
317.24878	3.3
333.24304	4.2
335.25775	24.8
349.23676	26.3
351.25772	2.1
423.32330	2.5
485.47879	1.7
489.35840	2.7
513.37524	1.9
515.37305	2.8
517.40613	3.0
529.38959	2.7
535.41620	6.1
553.42432	5.7
555.39917	2.0
567.22107	2.2
609.45074	46.5
627.46124	59.3
628.46375	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.9
55.01868	19.3
55.05505	29.7
57.03420	15.6
65.03934	4.7
67.05497	83.4
69.07061	33.5
79.05480	67.9
81.03398	7.7
81.07043	94.7
83.04950	9.0
83.08604	13.5
87.48617	3.5
91.05465	67.4
93.07029	75.4
95.01334	6.8
95.04955	13.8
95.08589	58.0
97.06520	34.7
97.10162	6.2
99.08109	3.9
103.05492	3.9
105.07018	68.8
107.04968	15.8
107.08574	33.0
109.06527	7.2
109.10139	19.5
111.08060	3.3
115.05415	3.4
117.06992	22.0
119.08562	44.0
121.06513	6.8
121.10117	22.4
123.08033	4.7
123.11737	4.3
125.09601	4.3
129.06989	5.9
131.08562	28.7
133.10109	37.2
135.08038	5.1
135.11682	20.6
137.09583	5.6
145.10120	20.0
147.11661	16.7
149.09602	7.4
149.13245	8.6
155.08565	7.0
157.10094	4.9
159.11705	12.6
161.13339	6.7
163.14835	4.2
173.13257	6.1
179.14326	17.9
185.13197	5.8
203.14238	4.0
219.17392	79.1
238.00700	4.0
247.20490	3.5
257.18945	10.2
261.22134	4.6
269.87979	3.7
275.20004	85.7
293.21124	5.8
335.25757	100.0
335.29764	5.9
336.26184	3.6
349.23785	22.7
515.37268	5.5
609.44965	67.8
610.45367	4.0
612.03143	3.5
627.45703	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	627.4609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05659	1.9
50.97892	1.9
51.25612	2.0
51.61251	2.2
53.03927	4.7
55.01852	8.3
55.05503	31.5
57.03420	7.4
57.07054	6.0
60.07025	2.1
67.05494	68.9
69.07051	22.0
69.72647	3.8
71.04975	3.9
71.08622	66.9
75.66263	1.8
76.49133	1.8
79.05486	54.9
81.03421	3.3
81.07044	73.4
83.04953	4.7
83.08612	19.2
85.06525	4.7
91.05466	51.6
93.07030	57.8
95.04952	13.6
95.08591	45.3
97.06515	12.0
97.10139	8.0
98.20758	3.9
99.08084	36.4
99.11352	1.8
103.05437	2.1
105.07014	54.7
107.04951	6.8
107.08566	34.8
109.06493	7.5
109.10126	19.0
111.08082	3.0
114.93626	2.0
117.07010	18.5
119.08562	46.3
121.06535	2.8
121.10120	22.7
123.08109	4.4
123.11700	6.9
125.09632	3.4
128.06177	3.4
129.06982	18.8
130.07785	3.5
130.58093	1.8
131.08560	33.5
133.10106	32.0
135.08093	2.7
135.11658	15.5
137.09567	3.8
141.06979	5.7
141.09163	2.2
142.07794	3.7
143.08539	23.1
145.10106	36.0
147.11644	26.2
149.09593	4.1
149.13271	7.0
151.11174	14.2
155.08517	6.4
157.10106	27.4
159.11674	24.9
161.13225	26.5
163.11212	8.6
163.14830	5.4
165.12798	2.6
167.08545	4.4
168.09300	3.0
169.10101	13.6
171.11688	25.6
173.11783	4.1
173.13264	15.8
175.14807	10.3
177.12766	3.9
179.14291	26.0
181.10086	5.8
183.11699	14.7
185.13240	16.0
187.14796	9.2
195.11739	7.0
197.13283	9.8
199.14781	12.3
201.16420	4.7
207.11743	2.9
209.13231	3.8
210.29913	2.2
211.14801	4.7
213.16374	6.7
215.17941	3.2
217.19553	3.3
223.14740	3.9
225.16377	3.5
227.17972	3.8
228.84969	2.7
231.21065	5.9
235.14754	2.5
237.16367	2.9
239.17908	3.8
241.19470	25.2
255.04521	2.1
257.19022	4.5
259.20551	30.4
261.22061	2.3
275.20123	9.2
277.21594	37.7
279.21051	2.2
293.21024	3.1
297.21988	2.3
309.22452	3.0
315.23105	8.0
333.24207	29.7
349.23935	3.3
351.25214	34.8
419.33142	6.8
435.32590	6.1
437.34073	26.0
455.35019	4.9
493.36536	4.6
495.34268	2.5
501.35556	5.3
509.36157	3.9
511.37668	21.2
513.35736	11.6
517.40417	11.4
527.37311	6.3
529.38708	6.1
535.41522	7.5
553.42780	6.7
609.45050	60.7
609.54938	3.0
627.29865	4.4
627.46088	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2234
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
55.05510	1.1
67.05500	2.1
67.32790	0.6
69.07058	0.9
70.95570	0.6
70.95886	1.0
71.05015	0.6
79.05507	1.5
80.55130	0.7
81.07071	1.7
91.05491	1.8
93.07047	1.6
95.08628	0.6
97.06600	0.6
105.07042	1.0
105.36704	0.5
107.08547	0.7
109.10162	1.0
117.06960	0.7
119.08614	1.2
121.10194	0.9
129.07062	0.7
131.08627	0.8
133.10112	1.1
145.10172	0.7
173.13138	0.7
176.30644	0.5
265.71198	0.7
387.79800	0.5
396.12177	1.3
397.12994	2.1
398.13766	1.1
399.14435	1.1
400.15402	1.0
410.13617	3.7
411.14499	5.8
412.15076	5.1
413.16034	4.8
423.14465	1.7
424.10507	0.8
424.15994	2.7
425.16296	16.1
426.16803	10.3
427.17416	3.8
428.18494	3.3
429.19421	0.8
438.13077	2.5
438.17688	1.2
439.13507	20.4
440.19122	7.2
441.19226	41.9
442.19592	2.2
451.14288	0.7
452.14127	3.8
453.15350	22.7
454.15607	4.6
456.17950	1.9
463.14423	0.7
466.12170	0.8
467.17090	24.0
468.17807	19.9
469.18872	10.6
470.19186	1.2
471.16177	1.0
472.17349	1.6
480.16714	0.6
481.14517	10.8
482.15610	2.4
483.16959	0.8
484.21988	3.8
485.17737	1.2
486.18860	1.0
495.16714	2.3
496.16980	16.1
497.17325	2.0
498.19095	2.4
499.19217	1.8
500.20837	4.6
508.19202	0.8
509.18192	1.0
510.19821	0.7
512.20178	2.4
513.21832	6.0
523.19574	1.9
526.18567	0.9
528.20123	1.0
541.20807	38.3
542.21289	2.3
551.18591	0.9
568.19745	0.8
569.20166	100.0
570.20508	7.1
572.19397	1.2
573.23346	2.5
597.19537	25.5
598.20160	1.6
600.22253	1.3
601.22913	12.8
615.20508	1.5
628.46179	0.8
629.22083	68.6
630.22339	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	629.4764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	17.7
55.55870	8.1
66.33320	7.6
67.05486	55.5
69.07047	12.5
71.08608	20.2
72.09750	8.5
79.05473	34.2
81.03374	9.6
81.07042	60.1
83.08619	17.3
89.05998	14.1
91.05462	22.7
93.07027	49.8
95.04964	14.2
95.08590	33.2
98.01819	8.5
98.20912	39.4
99.08064	25.4
105.07018	33.7
107.08570	32.7
109.10121	11.9
117.07011	17.7
119.08519	21.6
121.10125	26.9
131.08553	22.2
133.10121	22.5
135.11653	15.1
145.10132	8.7
151.11127	14.6
155.87756	8.9
173.13197	9.7
179.14262	29.6
183.06792	9.4
210.26169	7.4
231.38219	8.4
243.21152	12.5
277.21664	32.0
289.51978	8.3
335.25864	23.7
351.25320	29.7
374.04257	8.3
396.51288	10.2
517.38721	19.4
537.24603	16.9
537.41748	8.0
569.27930	16.5
597.27026	38.8
611.46417	62.3
629.29694	100.0
629.47083	37.0
630.29694	18.3
642.02045	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	629.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33939	3.5
53.03943	6.7
55.01858	8.1
55.05507	33.1
55.17523	3.8
57.03420	16.2
57.07054	15.2
65.03925	6.3
67.05494	98.3
68.05827	4.1
69.07056	28.5
69.40741	41.2
71.04976	6.7
71.08617	67.9
75.04463	13.5
79.05483	86.3
81.03410	7.5
81.07045	100.0
83.04947	14.0
83.08614	26.0
85.06522	4.6
85.98816	4.0
89.06024	25.6
91.04924	5.0
91.05466	63.5
93.07031	90.4
95.04987	17.7
95.08594	77.0
97.06503	10.6
97.10137	12.1
99.08080	45.3
100.28467	3.4
105.07021	61.4
107.04935	11.0
107.08581	56.0
109.06505	7.4
109.10133	35.4
111.08074	5.8
117.07004	21.9
119.08567	44.9
121.10145	47.3
123.08012	4.1
123.11696	6.8
125.09583	7.2
129.06963	10.0
131.08537	37.4
133.08571	13.0
133.10112	30.3
135.08046	5.7
135.11684	32.2
137.09572	8.7
137.13307	3.8
143.08542	13.8
145.10095	29.0
147.11694	24.1
149.09576	4.1
149.13232	23.5
151.11177	16.9
155.08583	4.3
157.10068	9.2
159.11703	21.8
161.09560	4.4
161.13254	23.0
163.11122	11.4
163.14812	9.2
169.10069	7.7
171.11656	10.4
173.11758	8.0
173.13242	13.7
175.14806	7.8
177.12668	5.3
177.16356	5.5
179.14297	54.4
183.11667	5.5
185.13249	7.2
187.14740	8.5
197.13251	5.8
199.14694	8.3
209.13271	3.9
221.13332	4.9
227.12845	4.6
241.19411	7.6
243.20984	17.1
259.20593	10.0
261.22147	17.7
275.20093	8.5
277.21625	57.0
295.22610	8.9
298.56537	4.1
317.24905	7.7
318.92941	3.9
335.25720	51.8
351.25195	53.4
415.25696	4.7
439.35892	6.3
513.39276	13.5
515.37427	17.7
525.98834	3.7
529.38770	6.4
593.45428	4.2
611.37500	6.1
611.46674	94.8
629.47675	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	2.1
51.02372	2.7
53.03935	13.2
55.01861	6.3
55.05503	28.7
57.03425	7.9
57.07055	1.8
58.53502	1.2
65.03924	5.0
67.05499	73.9
69.03419	13.4
69.07064	17.6
71.01345	3.1
71.04992	7.2
71.71034	1.6
71.71399	1.9
73.06565	1.7
77.03930	1.5
79.05486	100.0
81.03407	50.0
81.07047	65.0
81.07404	1.3
81.07531	1.9
83.04973	20.5
83.08611	10.2
85.02905	11.3
85.06534	5.4
91.05471	95.6
93.07035	85.8
95.01297	2.2
95.04396	2.8
95.04961	41.8
95.08598	35.8
97.02887	12.0
97.06532	10.4
97.10142	4.5
99.04426	6.3
99.08081	2.5
101.02396	1.6
103.05438	3.2
105.03387	1.6
105.04562	1.9
105.07018	69.9
107.04947	20.7
107.08582	29.7
108.07281	1.6
109.02865	8.0
109.06512	11.7
109.10142	8.8
111.04396	3.2
111.08058	3.7
115.05438	8.0
117.07002	29.1
119.04922	7.0
119.08567	37.1
121.06516	9.9
121.10134	11.3
123.04411	5.2
123.08026	11.8
125.05978	2.7
125.09631	1.7
127.03879	4.6
128.06212	10.6
129.07001	39.1
130.07779	1.6
131.04903	8.3
131.08539	25.1
133.06476	10.1
133.10123	18.7
133.11052	2.8
135.08020	5.8
135.11707	4.4
137.05989	4.0
137.09569	4.2
141.06990	8.3
141.09195	1.3
142.07755	4.5
143.08543	22.9
144.05746	2.4
145.06482	13.7
145.10109	22.1
147.04390	6.3
147.08040	11.4
147.11673	32.2
149.05942	2.6
149.09631	4.2
149.13200	3.1
151.07504	3.2
155.08513	8.9
156.09337	2.8
157.06465	8.7
157.10092	8.9
159.08054	8.3
159.11699	9.4
161.05824	1.6
161.09628	8.1
161.13222	16.0
163.11176	5.5
165.06969	2.6
165.09090	4.0
167.08553	5.7
169.06447	1.9
169.10132	7.6
171.08044	7.8
171.11681	34.8
173.04427	3.3
173.05928	2.0
173.09639	5.2
173.13249	5.7
175.07457	3.4
175.11168	2.9
175.14757	2.3
177.12703	2.6
179.08565	2.3
181.10088	5.5
183.08066	3.5
183.11671	6.2
185.09666	4.7
185.13280	4.9
187.11189	5.9
189.12721	16.1
191.14259	1.8
193.10115	2.1
195.11642	2.5
197.09645	2.6
197.13297	3.3
199.11229	1.5
199.14842	2.4
201.12717	3.0
203.14363	2.2
205.10280	1.7
205.12225	3.1
207.11797	3.0
207.13774	29.5
209.09634	1.7
209.13210	2.8
211.11232	2.4
211.14877	1.7
213.12781	2.3
219.11835	1.9
219.13907	1.8
221.15353	5.1
223.11223	1.8
223.14841	2.0
223.23439	1.8
225.12784	2.4
225.14790	3.4
227.14339	2.0
231.13626	3.0
241.15918	5.1
243.13799	2.2
245.15359	3.6
251.14310	6.9
255.13728	2.1
259.16931	3.5
261.14844	3.5
263.16516	1.8
269.15311	11.9
271.17114	1.9
273.14874	2.2
279.13425	1.8
279.16098	3.0
281.17459	26.2
287.16360	12.7
297.14761	4.9
305.17548	2.7
309.16983	2.9
315.15863	6.4
333.16965	7.9
351.18106	5.7
361.20016	2.8
370.24057	1.5
371.18390	2.3
389.19455	4.1
407.20709	12.7
487.30322	7.2
527.30316	5.5
541.31628	3.9
567.32996	4.1
595.32422	5.0
599.40387	2.3
608.30945	4.3
613.33502	7.7
631.34497	38.2
631.44263	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01569	1.9
51.02388	3.5
53.03929	14.3
53.47345	2.0
53.86747	2.0
55.01866	7.5
55.05507	29.3
57.03424	8.0
59.45705	1.7
63.78665	1.7
65.03933	6.0
67.05137	3.9
67.05495	67.6
69.03419	14.8
69.07067	13.2
71.04987	7.1
73.06517	2.3
77.03899	3.8
79.05484	98.4
81.03407	55.3
81.07047	64.3
81.07538	2.2
83.04968	19.9
83.08617	12.5
85.02896	9.5
85.06529	3.8
91.05470	100.0
93.07032	83.5
95.01339	2.5
95.04951	37.7
95.05511	3.3
95.08600	35.2
97.02863	13.1
97.06521	7.2
97.10186	3.3
99.04434	3.7
103.05481	7.2
105.07017	65.2
107.04939	21.2
107.08570	25.0
109.02864	6.6
109.06503	11.8
109.10155	6.1
111.04420	4.1
111.08083	3.0
113.15993	1.8
115.05466	8.5
117.07008	30.4
119.04897	3.9
119.08569	37.2
121.06499	9.1
121.10092	10.4
123.04424	5.3
123.08073	10.3
124.78083	1.8
127.03913	3.6
127.07512	2.5
128.06192	12.2
129.06989	39.8
131.04924	7.0
131.08557	23.4
133.06476	13.8
133.10104	18.6
135.04416	2.5
135.08028	4.8
135.11618	4.1
141.06985	7.6
142.07709	2.3
143.08540	20.9
145.06468	13.7
145.10114	20.3
147.04395	2.3
147.08018	8.1
147.11665	33.9
149.05998	3.5
149.09598	4.8
151.03984	2.0
153.06963	2.5
155.08548	8.9
156.09373	2.2
157.06511	6.4
157.10101	6.9
159.08035	9.5
159.11694	5.9
161.06003	2.2
161.09644	6.2
161.13243	12.6
163.11154	4.1
167.08530	5.3
169.10117	7.8
171.08025	8.3
171.11681	30.1
173.04462	3.9
173.13286	5.5
175.07597	3.1
175.11182	3.1
177.12712	4.3
179.08487	3.8
179.14357	3.9
181.10109	4.8
183.08052	2.6
183.11638	3.4
185.09631	5.5
185.13181	3.1
187.11166	4.5
189.12714	17.2
191.14244	2.4
194.10925	2.0
195.07944	2.9
195.11725	3.0
199.11092	2.8
203.14383	2.9
207.13770	29.3
209.09329	2.4
209.13278	3.6
213.12723	2.5
215.14275	2.9
219.75456	2.2
225.14783	5.0
227.14238	2.8
241.15921	3.8
245.15404	4.7
251.14227	4.1
259.16873	4.6
261.14917	2.9
269.15286	10.2
279.15948	4.4
281.17444	26.2
285.14841	2.2
287.16391	13.5
297.14828	3.6
309.17041	5.8
315.15790	8.6
333.16943	6.6
336.88620	2.3
343.18866	2.6
351.17886	5.7
389.19598	3.1
407.20578	10.0
487.30536	7.5
541.31439	2.6
567.33228	7.1
577.31305	2.6
595.32410	2.9
613.33771	8.0
621.76270	2.1
631.34735	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.5
53.03928	4.3
55.01854	5.0
55.05502	29.2
57.03421	6.8
57.07056	2.1
59.04977	3.9
65.03924	3.3
67.05493	100.0
68.05831	1.3
69.03420	24.3
69.07052	15.1
71.01330	1.8
71.04975	5.1
71.71165	1.8
73.02863	1.1
73.06557	1.2
79.05483	32.5
81.03408	25.9
81.07043	39.8
83.04970	8.9
83.08605	14.0
85.02901	5.4
85.06524	4.6
87.04479	1.1
91.05464	42.1
93.03380	1.8
93.07025	33.7
95.04959	15.7
95.08592	25.2
97.02869	7.3
97.06506	4.6
97.10149	10.3
99.04429	3.6
99.08090	1.1
100.43660	1.1
101.02338	1.3
102.62141	1.1
103.05414	2.8
105.07019	35.9
107.04927	12.6
107.08569	24.3
109.02867	5.9
109.06511	6.3
109.10138	56.0
111.04436	7.2
111.08069	4.3
113.05976	2.6
115.05432	3.0
116.06261	1.2
117.06993	21.2
119.04903	3.0
119.08564	30.5
121.06467	7.2
121.10131	14.0
123.04400	2.4
123.08036	4.7
123.11655	1.9
125.09623	11.5
127.03897	3.0
128.06203	4.7
129.05510	1.7
129.06984	17.5
130.07770	1.3
131.04892	2.1
131.08548	24.1
133.06454	4.6
133.10106	18.5
135.08037	8.4
135.11659	6.8
137.05983	1.7
137.09604	5.3
139.11159	1.8
141.06953	9.9
142.07784	6.3
143.08537	16.0
143.10648	1.1
144.09286	1.3
145.06439	5.1
145.10094	18.1
147.04373	7.2
147.08015	4.2
147.11665	10.1
149.09595	6.6
149.13252	1.8
151.07503	2.3
151.11145	1.6
153.07002	2.6
153.09105	2.6
154.07751	2.1
155.08528	11.0
155.10631	2.3
156.09366	2.7
157.06445	4.0
157.10110	15.1
158.07320	1.0
159.08032	6.1
159.11674	14.6
161.09598	5.0
161.13240	6.0
163.03865	1.4
163.07564	2.2
163.11182	3.9
165.06999	3.0
165.09074	1.9
166.07697	2.3
167.08542	6.2
168.09296	2.4
169.06485	1.5
169.10117	12.1
171.08002	4.1
171.11667	13.4
173.09608	4.2
173.11713	18.6
173.13249	10.0
175.07591	1.5
175.11122	2.3
175.14839	1.8
177.12828	1.7
179.08533	5.6
180.09277	2.2
181.06514	1.2
181.10118	8.1
182.10872	1.2
183.08018	4.2
183.11662	10.9
185.09610	4.9
185.13200	8.0
187.11171	4.7
187.14874	3.2
189.09583	1.4
189.11189	8.0
189.12790	2.6
191.10568	1.5
191.14279	1.1
192.09369	1.3
193.10062	3.4
193.12085	1.8
195.07985	1.3
195.11694	8.0
195.13310	1.2
196.08810	1.2
197.09619	3.4
197.13185	6.6
199.11156	3.8
199.14781	3.0
201.12744	3.2
201.16443	1.4
203.14279	2.1
207.11684	3.4
207.13666	1.8
209.09573	2.2
209.11478	1.5
209.13338	5.1
211.11237	1.8
211.14819	3.0
213.12773	4.2
215.10823	1.2
215.14293	2.0
221.13286	3.1
221.15355	3.6
223.11140	1.8
223.14780	4.4
225.12752	3.3
227.12749	4.8
229.12148	1.3
229.14211	13.9
233.13272	1.6
233.15387	2.3
235.14899	1.7
237.12727	3.0
239.14362	2.5
239.17899	1.3
241.19473	2.3
245.13792	3.8
253.15935	1.1
257.19016	2.4
259.20551	5.0
269.15424	1.2
269.18750	1.9
271.20514	3.2
275.20056	2.7
283.20364	2.2
289.21512	2.1
295.20532	2.2
297.22018	1.8
299.14847	1.1
299.19904	2.6
301.21542	2.3
307.20291	1.9
311.20074	2.0
313.21545	4.4
315.22998	2.6
321.22073	2.5
323.23343	1.5
325.21625	3.3
327.23364	1.5
333.21780	1.7
337.21616	2.6
339.23068	4.7
343.22708	1.8
349.21548	7.9
351.23068	6.7
355.17322	2.1
357.24258	1.7
367.22705	10.4
369.24271	4.3
385.23660	6.0
423.24979	2.1
425.27032	1.3
441.26291	2.6
459.27283	2.8
487.34000	3.3
529.35339	1.4
541.35138	1.3
557.34698	1.5
577.35370	2.1
583.36304	4.6
585.37842	1.5
595.36176	20.4
599.40741	1.5
613.37152	23.0
614.37378	2.3
631.38147	43.3
632.38568	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	631.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01860	1.1
55.05500	7.9
57.03414	1.7
57.06795	1.0
57.07065	19.3
65.03923	0.9
67.05137	1.2
67.05495	23.0
69.07047	6.9
69.43065	6.0
69.97813	0.6
71.04964	0.8
71.08620	14.2
79.05018	1.2
79.05482	24.0
81.03416	3.1
81.07043	23.0
83.04984	4.2
83.08609	6.4
85.06532	1.0
85.10175	7.9
91.05464	19.7
93.07030	18.5
95.04965	6.7
95.08588	19.2
96.37189	0.6
96.38032	0.6
97.06510	1.6
97.10143	3.0
105.07011	12.7
107.04939	2.5
107.08576	5.8
109.06497	2.6
109.10126	6.9
111.08104	0.8
112.57754	0.6
112.99999	8.9
113.88596	0.6
116.40005	0.6
117.07015	2.4
119.08560	7.5
121.06482	0.6
121.10114	1.0
123.08031	2.5
123.11673	1.2
128.06223	1.3
129.06978	5.3
131.08496	0.6
133.10124	3.5
135.11711	0.8
137.13229	0.8
139.50514	0.6
143.08546	2.3
145.10091	3.4
147.08035	1.0
147.11668	12.0
159.11662	0.7
161.09608	1.3
161.13258	5.0
169.02617	6.4
171.11673	11.2
179.14378	0.7
189.12711	5.1
207.13779	13.2
225.14871	1.8
239.23723	2.5
281.17377	5.0
313.27380	2.8
401.51328	0.7
401.57678	0.6
428.76144	0.9
519.40381	100.0
520.40863	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	631.396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.9
55.01853	1.0
55.05500	9.3
57.03426	2.4
57.07064	21.9
58.07386	0.6
59.73590	0.4
65.03915	1.4
67.05494	23.7
69.07052	7.9
69.36647	1.7
69.37078	2.9
71.04986	0.7
71.08620	15.0
73.06544	0.9
77.03896	0.6
79.05481	28.0
81.03407	3.1
81.07043	24.2
82.07377	0.5
83.04973	5.6
83.08603	8.0
85.06532	1.5
85.10166	9.4
91.05465	20.0
91.06044	0.9
93.07028	21.0
94.86050	0.4
95.04945	7.5
95.08591	21.3
95.09198	1.0
96.08894	0.6
97.06493	2.0
97.10148	3.6
99.08094	0.6
99.11687	0.5
105.04479	0.7
105.07011	14.7
107.04929	2.1
107.08572	6.8
109.06513	2.7
109.10144	7.1
112.99992	9.5
117.06981	3.3
119.08557	9.4
121.06499	1.1
121.10117	1.4
123.08044	1.7
123.11668	1.9
128.06174	1.0
129.06976	6.7
131.08498	1.0
133.10109	3.8
135.08057	0.4
135.11670	0.7
137.13216	0.7
143.08557	2.9
145.10101	3.5
147.08015	1.0
147.11650	13.9
161.09555	1.5
161.13240	4.3
169.02592	9.1
171.11665	11.1
179.14268	0.5
181.76950	0.4
189.12714	4.1
207.13765	13.9
208.14084	0.5
225.14796	2.5
239.23686	2.4
281.17441	4.4
313.27451	3.2
346.90933	0.4
384.21970	0.4
407.25497	1.0
519.40369	100.0
520.40723	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	631.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.05504	6.1
57.03421	1.9
57.06791	1.0
57.07067	14.8
63.30092	0.5
65.03929	0.8
67.05495	18.5
69.07055	6.0
71.04987	0.9
71.08624	10.9
71.42072	0.9
71.42403	0.8
73.06555	0.7
79.05479	20.7
81.02991	0.5
81.03397	2.8
81.07046	17.5
83.04975	2.9
83.08610	6.1
85.06548	0.7
85.10173	6.7
91.05469	15.0
93.06428	0.8
93.07027	16.4
95.04958	7.7
95.08591	17.1
97.06512	1.5
97.10153	2.7
105.07018	10.7
107.04957	1.8
107.08575	5.6
109.06501	1.4
109.10133	4.8
111.08118	0.6
111.11703	0.5
113.00002	6.8
117.07009	1.9
119.08562	6.4
121.10154	1.4
123.08049	1.8
123.11687	1.8
125.13276	0.6
128.06142	0.6
129.06990	4.0
133.10165	2.5
135.08018	0.5
137.13240	0.6
140.81902	0.5
143.08556	2.9
145.10117	2.4
147.11676	10.5
149.23827	0.5
161.09579	1.9
161.13275	4.0
169.02605	6.1
171.11682	9.0
189.12749	3.5
207.13782	11.9
222.98331	0.5
225.14900	1.5
239.23628	2.4
281.17441	5.2
313.27313	2.5
382.58142	0.6
407.25369	1.0
419.88223	0.6
447.25891	0.6
519.40387	100.0
520.40747	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	632.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01866	1.2
55.05272	0.8
55.05505	9.4
57.03435	11.4
57.07043	1.1
61.02911	2.6
65.03919	1.3
67.05497	35.1
69.03408	1.2
69.07059	11.2
71.01340	3.3
71.04986	3.8
79.05486	31.5
81.03412	6.3
81.07043	17.2
83.04977	7.7
83.08620	3.6
85.02872	2.0
85.06518	3.2
91.04916	1.0
91.05470	13.3
93.07030	37.6
95.04951	4.5
95.08600	6.7
97.02873	1.3
97.06519	8.5
97.10158	8.9
99.04439	1.1
99.08076	1.7
105.06998	4.3
107.04929	1.7
107.08584	25.0
109.06531	1.0
109.10154	7.8
111.08071	2.0
117.07005	3.5
119.08562	7.4
121.06483	2.1
121.10114	5.4
123.08073	0.9
125.05854	0.7
125.09631	1.4
126.42710	0.6
129.06993	1.2
130.07796	0.7
131.08557	1.5
133.10110	3.8
135.08017	1.5
135.11676	39.8
135.59723	0.6
137.09612	1.6
143.08554	0.9
145.10103	7.7
147.11655	1.8
153.12718	2.0
161.09581	0.8
163.11165	6.1
171.11699	1.5
173.11761	1.0
181.12187	8.2
199.13290	2.2
211.13306	0.9
213.40675	0.6
229.14336	2.4
255.15892	55.4
273.08261	0.6
281.17453	1.7
285.16922	1.1
300.20093	0.7
396.36548	0.7
435.27399	100.0
436.27756	2.1
439.26892	1.1
479.29477	0.9
632.39532	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01859	3.0
55.05499	10.4
56.13431	1.0
57.03417	2.3
57.07065	22.5
62.41646	1.0
67.05493	14.6
68.70884	1.1
68.74687	1.0
69.07065	9.9
70.00079	7.6
71.04977	1.8
71.08625	13.0
79.05473	12.7
81.03416	3.3
81.07050	19.4
83.01326	2.3
83.04948	5.5
83.08614	10.5
85.10153	6.9
91.05459	6.3
93.07032	16.8
95.04972	5.1
95.08588	25.5
97.06522	3.0
97.10155	3.0
98.21386	1.7
99.04460	2.1
105.07023	5.5
107.04948	4.4
107.08582	10.8
109.06490	1.4
109.10135	6.4
111.04412	1.5
113.00018	7.8
117.06992	4.3
119.08560	5.4
121.06523	1.7
121.10117	6.3
123.08046	2.7
123.11697	1.7
125.06058	1.3
125.13269	1.3
130.07776	1.3
131.08545	2.3
133.10115	2.1
135.11678	15.8
137.09554	1.4
143.08575	1.2
145.10098	12.5
149.09604	1.8
151.62115	1.3
153.12775	1.4
153.20335	1.3
163.11151	18.2
169.02579	6.5
181.12244	4.0
191.10687	1.5
197.13422	1.0
209.11713	5.7
227.12747	24.8
239.23575	2.7
283.15350	1.6
407.25470	1.5
521.38281	100.0
522.38544	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	633.3776
Annotation	Myriceric acid A
Peak:m/z	Relative Intensity
53.03916	1.3
55.05499	8.2
57.07069	2.1
61.38522	1.1
65.03915	1.9
67.05492	12.8
69.07058	7.5
71.04974	1.9
79.05485	9.8
81.03419	1.7
81.07049	12.9
83.04975	1.7
83.08602	9.6
85.06513	1.6
87.97545	1.0
91.04913	2.0
91.05461	26.6
93.07028	20.1
95.04942	4.9
95.08594	23.1
97.06504	1.4
97.10133	1.7
99.08074	11.7
105.07011	14.7
107.04980	1.5
107.08577	35.1
108.08862	1.5
108.50681	1.3
109.06495	1.4
109.10143	9.9
117.06998	4.8
119.04930	28.9
119.05817	1.8
119.08559	21.7
121.10129	22.3
123.08057	3.0
123.11702	6.5
125.09602	2.4
128.06221	1.6
129.06941	4.3
131.08530	13.1
133.10107	23.0
135.08014	1.4
135.11685	9.4
137.13193	2.3
141.06993	2.2
142.07718	2.0
143.08534	8.5
144.09239	1.6
145.02826	1.4
145.10109	18.5
147.04385	100.0
147.11653	11.1
149.09547	2.5
149.13214	9.9
151.07426	2.3
155.08546	4.5
156.09312	3.4
157.10097	12.3
158.10791	1.3
159.11661	13.1
160.96175	1.3
161.09576	2.3
161.13264	7.2
163.03922	6.3
163.11192	2.8
163.14835	2.2
165.05463	22.5
165.06807	2.7
165.09071	1.4
168.09401	1.5
169.10100	17.9
170.10808	2.3
171.11617	10.2
172.12157	1.3
173.13213	10.6
175.14745	5.1
177.12781	1.4
179.08585	2.4
179.14204	1.9
181.10089	4.6
183.11674	12.0
184.12436	1.6
185.13220	10.7
187.14806	19.9
189.12799	1.8
189.16290	3.3
191.14233	1.3
193.10182	3.2
195.11699	4.8
196.12518	1.5
197.13249	8.8
199.14838	7.1
201.16415	9.4
203.14282	3.2
205.15872	5.5
207.11761	2.6
207.13737	2.1
208.12355	1.8
209.13313	5.7
211.14815	6.3
213.16277	6.5
215.17911	2.9
217.15892	2.2
219.17410	5.0
221.13254	3.3
221.15312	2.3
222.13905	1.4
223.14795	4.5
225.16277	3.2
227.17899	3.1
229.95154	1.4
235.14801	3.8
237.16400	4.1
239.17935	9.0
241.19447	1.6
245.18959	1.5
249.16492	2.5
251.17877	4.1
253.19493	2.9
257.18826	1.5
263.17990	1.6
265.19455	4.4
267.17429	1.4
269.18900	1.6
271.20386	2.1
277.19611	1.5
279.20865	1.3
283.20551	2.8
285.22110	1.5
291.20895	1.6
295.20490	1.7
305.22485	1.7
307.23965	1.9
309.22070	2.0
313.21863	1.2
315.19302	2.0
321.22067	1.4
323.23514	1.6
333.25684	4.6
349.25391	2.1
351.22934	1.4
351.26660	6.9
358.62576	1.1
379.29816	6.0
387.30392	3.5
405.26416	2.2
405.31473	30.5
407.33200	3.1
423.32535	23.9
424.33026	1.9
425.30374	8.7
433.30923	1.5
435.32437	2.5
451.32059	31.5
452.31747	1.7
529.24268	1.4
565.24597	1.4
615.38690	2.5
627.79138	1.4
633.40985	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	634.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
53.67374	0.4
55.01866	3.6
55.05490	0.7
57.03433	3.0
61.02920	3.9
65.03915	0.7
67.05483	0.6
67.44961	0.4
69.03420	15.5
69.66143	3.6
71.01328	1.6
71.04980	2.0
73.07518	0.5
79.05482	2.7
80.04975	0.6
81.03407	10.9
81.07040	2.2
83.01328	0.4
83.04971	1.7
84.08154	0.4
85.02892	23.4
87.04449	2.1
91.03936	1.2
91.05455	2.3
93.07016	0.7
94.06554	1.3
95.04948	10.9
97.02876	14.1
97.06516	0.7
99.04437	1.8
106.06551	1.2
107.04943	1.7
108.04433	1.2
109.02866	3.7
109.05241	2.2
109.06487	1.6
110.06023	8.1
111.04420	4.3
119.04929	1.8
120.04442	6.6
122.06009	55.2
123.04423	2.3
125.05997	0.4
127.03894	5.0
128.28551	0.4
133.05281	0.7
134.06003	4.4
134.27394	0.5
135.04387	1.4
136.07521	3.1
137.05948	2.5
145.04941	2.4
146.05949	2.2
147.04396	1.4
148.07567	1.9
150.05501	0.6
152.07037	1.5
153.05469	0.9
160.07553	8.2
162.05441	1.0
163.03879	0.9
164.07048	1.8
165.05460	3.1
167.07086	1.1
170.05975	0.5
172.07573	3.6
174.09137	1.2
176.07042	3.4
182.08185	0.6
183.06627	1.5
184.07535	1.8
186.05479	2.5
186.09099	4.1
188.06985	2.4
196.07486	1.1
198.09102	0.9
200.10641	0.8
202.08583	2.9
206.08022	0.5
210.09128	3.0
212.07068	4.0
214.08585	14.1
226.08574	1.3
228.10184	3.9
230.08174	1.0
232.09581	0.7
238.08606	1.7
246.11108	0.5
248.09082	0.9
256.09641	6.7
274.10699	12.8
292.11746	100.0
293.12030	2.2
310.12808	50.5
334.12741	0.8
352.13788	0.5
359.21735	0.5
364.13486	0.5
400.13943	0.6
418.14886	1.6
436.15973	1.6
454.17041	27.7
455.17282	0.6
470.37637	0.5
472.18103	35.9
473.18314	1.9
564.42145	0.5
616.22308	1.3
634.23297	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	634.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01866	7.2
55.05505	15.7
57.03159	1.4
57.03429	15.8
57.07051	2.2
57.07313	0.9
59.04993	7.1
61.02914	6.6
61.38060	0.8
65.03920	1.9
66.28476	0.8
67.05495	75.7
68.05856	0.9
69.03412	3.4
69.06731	0.8
69.07059	4.7
71.04993	5.6
71.70574	0.8
71.71027	1.2
73.02899	1.9
76.64307	0.8
79.05479	15.0
81.03404	13.4
81.07043	23.3
83.01331	7.5
83.04966	8.2
83.08607	13.5
85.02890	8.3
85.06518	3.1
91.03936	2.4
91.05468	16.0
93.07036	19.7
94.07355	1.0
95.04957	7.1
95.08591	9.9
97.02888	4.9
97.06505	4.2
97.10116	1.3
99.04442	3.3
105.07031	8.1
107.04942	6.2
107.08578	12.6
109.02850	1.4
109.06510	6.5
109.10139	74.7
111.04430	2.8
111.08056	5.3
113.06032	1.2
115.05441	0.9
117.03321	1.0
117.07005	4.6
119.08558	12.7
121.06477	3.5
121.10103	6.5
123.08063	6.2
123.11716	1.1
125.05978	0.9
125.09588	1.5
129.06984	1.6
130.07776	1.6
131.04874	1.2
131.08565	4.7
133.10124	2.7
135.08035	2.1
135.11671	8.7
137.09587	3.6
143.08511	1.7
145.10100	12.3
147.04385	2.4
147.08052	2.3
149.09616	1.3
153.12733	2.0
155.08514	1.4
155.10654	3.2
157.10112	1.0
163.03923	2.5
163.11162	20.1
163.12457	1.5
173.09554	2.0
173.11710	18.4
173.13179	0.6
175.11104	0.9
181.12267	1.7
191.10696	1.8
209.11696	4.5
227.12805	3.6
229.14320	82.2
251.43051	0.9
283.15375	70.9
328.88406	0.9
409.44186	0.9
437.25302	100.0
438.25443	2.2
488.10602	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.05506	8.5
57.03425	1.1
57.07061	0.9
57.35369	0.7
58.59386	0.7
61.02928	1.5
65.03915	0.6
67.05515	3.4
69.03426	4.8
69.07063	92.3
69.30733	0.6
70.06606	0.6
70.07394	0.9
71.04987	3.3
71.70392	1.3
73.06553	1.9
77.48792	0.6
79.05499	1.0
81.03413	2.6
81.07038	5.8
83.04981	0.8
83.08625	1.5
85.02895	14.6
87.04467	4.7
89.06022	100.0
91.05469	0.9
93.07056	2.1
95.04924	0.8
95.08614	3.8
95.09117	0.6
97.02887	5.6
99.04453	1.1
100.95391	0.6
105.06995	1.2
107.04951	0.9
107.07058	6.4
107.08554	1.4
109.02872	2.1
109.10139	1.5
111.11712	23.4
115.03978	0.7
117.09143	0.9
119.04916	1.5
119.08546	1.4
121.02856	18.6
121.10142	0.9
122.03143	0.8
127.03876	2.8
129.05493	0.9
129.12743	5.9
130.08598	1.4
131.07031	1.6
133.08589	53.5
134.08957	1.0
135.04393	1.7
137.05968	1.8
137.13144	0.8
139.03894	3.3
141.09869	0.6
141.63695	0.7
145.02798	2.1
145.04916	1.8
145.44032	0.7
147.04367	3.9
147.91060	0.6
151.09595	5.2
155.14285	1.0
163.03905	6.9
163.07533	0.6
164.04176	0.8
164.07104	1.0
173.15364	2.2
177.05420	3.5
177.11220	21.7
178.07350	0.6
181.04919	0.8
190.17047	0.8
195.12195	3.2
197.07709	0.7
199.16904	0.8
217.16095	0.8
217.17976	7.0
221.13812	4.3
239.12738	0.8
239.14850	4.2
243.19569	0.9
261.20584	6.9
265.06876	1.1
267.01614	0.6
283.08099	5.1
283.17346	3.2
305.23114	3.3
309.19086	0.7
323.24258	1.5
327.20065	15.6
349.25726	1.7
367.26563	2.4
393.28085	0.9
411.29227	2.3
437.31033	4.4
455.32114	56.6
456.32477	1.6
609.88922	0.9
635.31470	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	2.3
53.03707	1.9
53.03938	14.2
55.01865	8.5
55.05503	30.0
57.03429	9.5
65.03934	3.4
67.05496	57.7
68.59303	1.4
69.03423	19.9
69.07059	12.9
70.37089	6.1
71.04980	8.7
73.06503	1.9
79.05017	2.8
79.05484	68.0
81.03406	100.0
81.07047	56.0
83.04971	25.9
83.08603	20.1
85.02895	17.8
85.06528	3.2
87.04421	1.7
91.05468	77.4
93.07035	60.1
95.04951	40.4
95.08596	28.6
97.02880	20.7
97.06513	7.8
97.10158	6.9
99.04434	5.8
99.08074	1.4
101.02386	2.1
103.05460	2.6
105.07013	54.2
107.04937	13.3
107.08575	22.5
109.02858	15.4
109.06509	12.2
109.10144	7.6
111.04426	12.5
111.08066	9.7
113.06013	1.8
115.05427	5.1
117.06998	15.3
119.04935	3.1
119.08569	34.6
121.06526	4.2
121.10104	10.9
123.08040	6.6
123.11676	2.1
125.09595	3.6
127.03908	10.0
127.07485	2.5
127.22282	1.3
128.06235	3.8
129.05522	2.5
129.06990	25.4
130.07674	1.6
131.04910	2.3
131.08548	12.9
133.06401	3.6
133.10097	17.1
135.08086	2.7
135.11679	4.7
141.06999	3.6
142.07709	2.5
143.08594	8.0
145.06502	5.7
145.10104	14.7
147.04404	2.6
147.08041	6.5
147.11667	38.7
149.09650	5.4
153.12721	2.4
155.08575	4.0
157.06465	2.9
157.10118	12.3
159.08044	3.2
159.11722	4.0
161.09628	3.2
161.13261	7.9
163.11194	8.7
165.12769	5.8
167.08499	2.2
169.10071	2.6
171.08041	1.8
171.11652	22.0
173.04507	3.7
173.09662	2.2
173.13268	2.4
175.09874	1.7
175.11072	7.2
181.10103	2.6
181.12222	5.8
183.11769	2.8
185.09581	2.1
189.12744	11.0
191.10670	5.3
193.12212	31.0
207.13773	25.8
209.09624	1.7
211.11250	2.8
211.13252	41.9
211.15121	2.5
225.14838	3.2
227.12607	8.8
229.14238	1.6
235.13261	1.9
267.15836	9.4
273.14862	2.2
281.17401	17.6
285.17020	5.1
287.16458	5.6
299.16299	2.0
315.16190	2.1
337.16544	4.3
355.17456	11.0
381.24115	2.2
411.20129	8.0
473.28998	9.7
491.29932	11.5
553.31177	1.9
571.32599	2.2
599.32123	1.8
617.33160	7.9
635.34174	70.9
636.34998	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	635.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	11.5
55.01860	11.4
55.05502	25.9
57.03430	15.0
60.63470	2.6
60.64000	2.5
61.22435	2.8
65.03925	6.3
67.05492	72.8
69.03414	23.1
69.07057	18.8
71.04979	5.6
71.70311	5.2
79.05482	78.4
81.03406	48.2
81.07041	58.9
83.04958	23.4
83.08623	13.1
85.02885	11.9
85.06525	7.1
91.04919	5.7
91.05466	100.0
93.07028	64.4
95.04955	32.4
95.08591	40.4
97.02875	14.2
97.06528	10.4
97.10186	3.7
99.04407	5.2
99.08043	5.7
100.53870	2.4
103.05421	7.1
105.07017	68.2
107.04948	23.6
107.08578	28.1
109.02860	10.9
109.06499	12.4
109.10149	9.9
111.08073	3.9
115.05412	5.1
115.12826	2.7
117.07003	23.7
119.04938	8.8
119.08574	43.8
120.08881	2.5
121.06470	13.0
121.10111	12.9
123.04409	7.0
123.08036	8.3
125.09615	3.1
127.03876	5.7
128.06187	8.4
129.07002	36.8
131.04918	7.1
131.08553	32.4
133.06462	9.0
133.10106	43.1
135.04376	3.6
135.08057	3.9
135.11606	5.0
137.09583	3.2
141.06985	8.0
142.07776	6.9
143.08536	20.2
145.06470	8.0
145.10100	17.5
147.04378	34.3
147.08020	9.0
147.11665	34.2
148.04668	7.2
149.09621	8.1
149.13269	3.2
155.08531	7.4
157.06454	5.1
157.10132	23.4
159.08037	6.0
159.11600	9.7
161.05856	3.2
161.09631	5.4
161.13280	13.8
163.11134	9.4
165.05574	3.8
165.06956	3.3
165.12807	3.6
167.08463	3.5
169.10095	8.4
171.08052	9.2
171.11693	19.0
173.04410	9.5
173.09579	4.8
173.13281	5.9
175.07564	3.5
175.11150	15.0
177.12752	4.7
179.08490	4.5
181.10115	7.4
185.09604	6.3
185.13264	5.2
187.11177	5.5
187.14827	5.7
189.12711	11.5
189.16315	3.0
193.10149	4.0
193.12184	12.5
197.13199	3.4
198.13837	3.5
199.14754	5.2
201.16292	4.2
203.14162	3.2
207.11827	5.3
207.13657	22.0
209.13185	5.1
211.11278	4.7
211.13161	5.3
213.12730	3.8
215.14250	3.3
217.12146	3.0
223.14792	3.9
225.14706	3.4
227.14270	7.7
237.12752	3.6
245.15356	3.5
247.03850	3.0
251.14214	5.6
255.13918	5.2
256.21185	3.0
259.16959	4.4
267.15881	35.0
269.15366	7.4
273.14847	6.7
281.17444	22.4
287.16388	9.0
329.17245	3.0
407.32602	3.4
407.94608	4.1
425.33630	2.9
453.32397	3.5
473.28928	33.2
487.30582	5.2
515.29535	4.0
553.31372	5.4
635.38574	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	635.3929
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
52.23063	0.5
53.03926	0.9
53.51187	0.5
55.05499	10.0
57.07053	2.4
65.03922	1.6
67.05496	8.6
69.07050	7.5
69.42406	6.0
79.05474	5.6
81.07042	17.3
83.04958	1.0
83.08604	14.2
85.06522	1.3
91.05460	17.4
93.07026	15.6
95.04953	2.3
95.08588	29.9
97.06497	0.8
97.10139	2.0
99.08058	2.1
105.06333	0.9
105.07013	19.9
107.08571	25.9
109.06488	1.0
109.10130	12.9
115.05452	0.7
117.06981	2.7
119.04922	24.5
119.08553	35.9
121.06455	0.9
121.10124	18.7
123.08019	1.3
123.11679	10.1
125.09560	0.7
128.06204	1.2
129.06967	2.6
130.07787	1.3
131.07640	1.2
131.08546	13.5
133.10106	18.2
135.11661	13.9
137.09561	0.8
137.13243	3.3
141.07013	1.1
142.07741	1.1
143.08521	7.9
144.09325	1.1
145.10092	21.8
147.04381	100.0
147.11662	16.0
149.13220	8.3
149.93248	0.6
151.07530	1.2
153.09076	1.3
155.08513	2.4
156.09305	1.7
157.10104	8.0
158.10817	1.8
159.11661	20.1
161.13222	10.6
163.07495	2.3
163.11180	1.8
163.14796	5.3
165.05450	24.1
167.08522	0.9
169.10083	4.2
170.10889	1.0
171.11682	7.7
172.12422	0.8
173.09581	0.9
173.13217	12.7
175.14787	16.3
177.09091	1.1
177.16357	9.3
179.14252	1.3
181.10069	1.3
181.12312	1.0
182.10905	0.7
183.11639	3.5
184.12352	0.7
185.13229	8.6
187.14778	15.1
189.16339	18.7
191.14282	0.6
191.17940	3.7
193.15884	0.6
195.11655	1.5
197.13245	4.8
199.14790	10.6
201.16342	24.8
203.14250	4.3
203.17909	11.1
205.12242	1.4
205.15817	6.1
207.13853	0.8
207.17445	5.1
209.13280	2.7
211.14754	7.0
213.16344	11.2
215.14305	2.0
215.17902	5.6
217.15855	1.4
217.19553	1.7
219.13820	2.3
219.17398	1.5
221.15425	1.0
223.14853	1.3
225.16335	2.3
227.17909	3.3
229.19533	1.5
231.13789	1.1
231.17329	3.2
233.15292	3.2
237.16365	2.3
239.17929	2.2
241.19504	2.1
243.20874	1.0
245.15291	5.6
247.16873	3.1
249.14671	5.0
251.17883	1.7
253.19478	3.3
255.21008	1.4
257.15335	0.9
257.22650	0.8
259.16861	5.5
265.19464	2.1
267.21030	3.8
269.22571	0.7
271.17166	0.6
273.18472	1.1
279.21118	1.2
281.22601	1.3
283.24051	0.8
285.18655	0.8
287.19968	1.0
293.22662	1.4
295.23975	0.8
297.18539	0.7
299.20038	2.3
307.24152	1.2
313.21555	0.7
325.21518	1.1
327.23056	1.1
335.27332	1.4
339.23050	0.8
347.27231	1.0
353.24689	1.7
356.81534	0.6
363.30316	2.5
379.26395	1.1
389.31912	9.1
391.33688	1.1
407.33017	16.2
408.33633	0.7
409.30927	17.4
425.34006	2.3
427.31927	1.5
435.32529	34.9
453.33542	11.3
471.34219	0.8
635.34534	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3933
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
53.03922	2.3
55.05499	10.1
57.03428	2.0
57.07053	4.4
57.93457	1.7
65.03918	2.1
67.05494	14.3
69.03407	2.8
69.07046	12.5
71.04980	3.0
71.70769	2.3
75.77773	1.9
77.01373	1.8
78.48260	1.6
79.05468	14.6
81.03397	5.1
81.07047	26.5
83.04961	2.5
83.08176	1.9
83.08604	9.5
90.96127	1.8
91.05469	19.9
93.07028	20.9
95.04930	6.9
95.08007	2.3
95.08585	34.6
97.06537	2.8
105.07011	20.4
107.04968	4.8
107.08566	32.3
109.06512	3.3
109.10147	15.6
111.04395	1.7
117.06998	4.8
117.28259	1.7
119.04920	25.1
119.08553	32.7
121.10140	18.7
123.11700	9.4
125.09628	2.3
128.06152	2.1
129.06975	6.4
131.08543	15.6
133.10109	22.4
135.08076	3.2
135.11649	15.8
137.09503	1.9
137.13216	8.0
138.77234	1.8
141.07013	2.4
142.07727	2.7
143.08543	8.6
145.06569	1.8
145.10101	18.7
147.04381	100.0
147.11662	14.9
149.09604	2.2
149.13235	22.6
151.07498	2.6
153.09158	2.0
155.08539	3.9
157.10107	11.6
159.11708	12.1
161.13213	9.8
163.11201	2.3
163.14818	7.7
165.05470	24.0
169.10054	5.2
171.08005	1.9
171.11684	11.4
173.09462	2.0
173.13225	12.1
175.14812	18.5
177.16368	7.0
183.11604	4.8
185.13248	5.8
187.14827	8.6
189.16316	12.1
195.11671	3.0
197.13225	5.1
199.14729	8.5
201.16364	20.5
203.14172	1.8
203.17929	4.4
205.15880	3.3
211.14848	2.0
213.16376	8.8
213.20607	1.8
215.17932	17.0
216.78035	2.0
219.17444	2.4
221.15326	2.5
225.16487	4.0
227.17926	15.7
229.15988	2.4
229.19423	6.2
239.17892	6.5
241.19498	16.2
241.40868	1.7
243.13921	1.8
243.21045	3.7
246.66737	1.8
249.14818	2.0
253.19441	5.8
253.22069	2.0
255.21074	3.3
259.16818	2.8
261.18436	8.4
265.19391	2.7
273.18393	13.2
275.19775	2.4
277.07132	1.8
281.22665	2.9
285.18375	5.9
287.20007	15.2
293.22446	2.6
295.24258	2.3
299.19992	3.0
307.24072	2.5
313.21475	2.3
335.20020	1.7
377.32068	10.9
379.33762	2.0
389.31848	7.1
395.20184	2.4
395.33069	27.0
397.30756	5.2
407.33063	12.5
409.30920	2.2
423.32523	32.1
435.32602	13.4
441.33514	4.9
453.33704	9.7
575.22662	5.3
635.24475	2.4
635.39014	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	635.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
55.05499	9.2
57.00663	1.2
57.07062	2.3
65.03928	2.7
67.05502	10.0
69.07054	10.0
69.91118	7.8
79.05482	8.3
81.03372	1.4
81.07049	20.9
81.65960	1.1
83.08607	13.7
87.69666	0.9
89.06018	2.0
91.05467	22.7
93.07033	16.1
95.04960	4.5
95.08589	34.7
97.02856	1.4
97.06511	1.2
97.10173	1.6
99.08090	2.9
105.07021	23.2
107.04944	7.7
107.08575	26.8
107.67205	1.1
109.06520	2.0
109.10138	13.8
111.08058	1.4
115.05450	1.3
117.07001	5.0
119.04929	27.2
119.08562	42.5
120.06312	1.1
121.10128	18.9
123.04372	2.0
123.11677	8.2
128.06206	1.5
128.98405	1.1
129.07016	4.4
131.08553	16.5
133.10103	23.2
135.08073	1.1
135.11670	17.5
137.09589	1.9
137.13280	2.3
142.07742	1.1
143.08534	8.6
144.09335	1.3
145.08987	1.4
145.10109	22.5
147.04387	100.0
147.11662	19.5
149.13226	8.8
151.07617	1.9
155.08595	2.5
156.09291	2.6
157.10115	9.4
158.10855	2.1
159.11670	19.6
161.13248	11.7
163.07521	2.7
163.11197	2.6
163.14810	6.7
165.05460	26.2
167.08501	1.8
169.10094	6.9
170.10930	1.8
171.11671	8.3
172.12471	1.1
173.13248	10.9
175.14816	19.2
177.16350	10.8
179.14328	2.6
183.11676	5.4
185.13255	11.4
187.14799	17.0
189.16368	19.5
191.17932	4.8
195.11703	1.5
197.13283	5.0
199.14822	12.7
199.16586	2.3
201.16371	28.1
202.16740	1.4
203.14311	5.6
203.17957	8.0
205.15829	8.1
207.17448	4.8
209.13255	3.5
211.14792	6.5
213.16347	14.7
215.14311	2.3
215.17941	7.1
217.15807	1.5
217.19629	2.7
219.13779	2.8
219.17462	4.2
223.14803	2.9
225.16347	2.5
227.17928	3.1
229.19470	2.0
231.17410	1.7
231.97264	1.3
233.15335	2.9
239.17888	3.2
241.19463	3.1
243.21094	1.5
245.15395	2.6
247.16985	3.7
249.14816	6.5
251.17859	2.3
253.19550	3.9
255.21111	1.8
259.16953	5.3
265.19434	2.2
267.21078	4.5
279.20926	1.1
281.22729	1.5
299.20114	2.4
327.23151	2.4
335.27258	1.7
347.27133	1.2
353.24771	2.6
363.30356	1.9
365.24118	1.4
389.31934	10.0
405.31363	2.8
407.32977	15.0
409.30981	16.5
425.34094	2.6
435.32541	36.7
436.32813	1.7
453.33554	13.1
474.49149	1.3
635.39636	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.05494	7.7
56.41815	1.2
57.07076	2.7
65.03944	2.0
67.05495	11.1
69.07064	9.4
69.89370	7.7
71.08566	1.4
79.05480	7.8
81.03403	1.9
81.07047	19.1
83.08604	15.4
91.05469	20.2
93.07029	15.5
95.04960	3.8
95.08594	28.1
96.72096	1.1
97.07844	1.2
97.10143	1.7
99.08045	1.7
105.07011	22.4
107.04943	7.0
107.08591	25.1
109.06526	1.7
109.10139	14.1
117.06996	4.7
119.04926	26.6
119.08561	40.3
121.10133	20.1
123.04434	1.5
123.11685	10.2
125.09589	1.6
129.06976	3.3
129.43118	1.1
131.08557	13.6
133.10123	24.1
135.11679	17.1
137.13235	3.5
142.07733	1.9
143.08563	7.2
145.10118	24.7
147.04390	100.0
147.11671	17.0
149.13274	7.7
151.11136	1.5
153.09125	2.1
155.08572	2.7
157.10144	8.6
158.10876	1.3
159.11668	16.1
161.09592	1.5
161.13251	12.2
163.07550	3.5
163.14798	7.1
165.05460	26.6
169.10075	3.7
171.11647	6.4
173.13268	12.0
175.14789	18.6
177.16370	9.7
179.14256	1.5
182.10883	1.5
183.11618	3.1
185.13177	10.2
186.08066	1.4
187.14818	19.8
189.16367	20.9
191.17867	3.5
195.11687	2.2
197.13264	4.5
199.14774	12.3
201.16362	25.9
203.14265	5.7
203.17949	9.1
205.15799	9.6
207.17429	3.9
209.13269	2.9
211.14775	5.7
213.16348	11.3
215.06380	1.2
215.14392	1.6
215.17935	6.6
219.17354	2.7
223.14809	2.3
225.16354	2.8
227.17935	2.7
229.15964	1.8
229.19402	3.1
231.13734	1.6
231.17387	2.0
233.15340	3.2
239.17929	3.2
241.19472	2.4
245.15366	5.1
247.16939	3.7
249.14827	5.1
253.19411	4.5
257.22717	1.5
259.16940	6.8
267.21103	3.3
285.18469	1.4
293.22769	1.5
299.19971	3.2
353.24506	1.8
363.30417	1.9
389.31906	10.6
405.31238	1.8
407.33047	16.1
409.30865	16.4
409.35413	1.9
425.34256	2.4
427.31525	1.5
435.32556	36.9
436.32687	1.9
453.33524	13.2
458.66815	1.4
546.18530	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05322	0.8
53.03942	3.9
55.01855	2.8
55.05502	13.7
57.03430	12.5
57.07051	1.2
59.04984	3.7
61.02917	4.6
65.03921	2.6
67.05495	70.7
69.03424	7.8
69.07054	8.9
69.88649	4.6
71.04980	5.9
73.02881	1.7
79.05482	28.8
81.03406	43.3
81.07043	29.3
83.01301	1.1
83.04974	9.3
83.08607	17.2
85.02384	1.4
85.02893	22.8
85.06525	2.5
87.04450	1.4
91.03931	1.8
91.04919	1.6
91.05465	23.9
93.07032	30.0
95.04955	17.1
95.08596	16.1
97.02399	0.9
97.02884	8.7
97.06505	3.6
97.10155	3.7
99.04459	1.7
99.08070	0.8
105.07009	16.3
107.04955	4.4
107.08585	14.7
109.02865	3.6
109.06503	3.7
109.10140	58.2
110.10462	1.6
111.04412	3.5
111.08067	7.2
113.06019	1.8
116.87051	0.7
117.07005	2.6
119.08562	17.7
121.06461	1.8
121.10124	15.3
123.08053	3.1
123.11683	2.6
125.09635	2.5
127.03899	3.2
129.06978	7.1
131.08548	7.8
133.06464	2.5
133.10109	10.2
135.04364	1.0
135.08101	1.2
135.11664	12.0
137.09665	3.9
142.07715	1.3
143.08490	1.4
145.04906	1.1
145.06435	1.2
145.10088	5.6
147.04420	1.3
147.08049	2.1
147.11659	10.5
149.09628	4.5
149.13232	3.9
153.12727	1.0
155.10657	3.0
157.10110	8.6
159.11641	2.1
161.13239	1.0
163.03856	2.5
163.11148	3.2
164.04253	1.0
165.12732	1.9
166.64078	0.9
171.11682	1.6
173.11722	16.7
173.13144	1.5
175.11174	9.7
181.12173	2.3
185.13211	0.9
187.14899	1.9
191.10594	1.3
193.12216	26.8
203.14403	1.1
209.11711	1.3
211.11256	2.3
211.13255	45.7
212.13707	1.0
213.16469	1.3
217.12196	3.1
218.12503	1.9
227.12770	2.5
229.14322	57.0
249.14606	1.3
259.20691	1.0
267.15878	15.6
277.21594	30.4
278.22000	1.4
283.15723	0.9
285.16925	31.8
286.17514	1.1
373.23840	0.8
403.24673	1.4
421.25732	14.5
439.26880	100.0
440.27182	5.1
456.31714	1.2
475.26770	1.8
493.27670	1.4
619.31030	1.4
636.30505	1.5
637.32452	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	636.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.01864	4.4
55.05504	18.0
57.03432	15.0
57.07058	1.4
59.04991	4.4
59.64079	0.9
61.02924	5.9
65.03938	2.8
67.05495	71.3
68.05804	1.3
68.81716	0.9
69.03412	9.0
69.07050	6.9
71.01327	1.4
71.04989	8.0
71.70515	0.9
73.02907	2.5
78.28901	1.0
79.05485	22.1
81.03407	56.3
81.07041	28.5
83.01319	1.1
83.04969	14.3
83.08606	20.6
85.02892	21.8
85.06534	3.6
89.39693	1.0
91.03954	1.8
91.05466	28.7
93.07030	19.0
95.04956	21.1
95.08589	13.5
97.02874	9.9
97.06500	5.1
97.10152	5.7
99.04446	3.9
99.08090	1.5
103.05466	1.6
105.03431	1.0
105.07015	18.4
107.04945	6.2
107.08574	11.3
109.02850	6.4
109.06508	5.0
109.10143	59.0
110.10472	1.1
111.04449	7.0
111.08043	9.5
113.06004	3.0
115.05439	1.4
117.07005	5.2
119.04939	1.6
119.08550	20.1
121.06491	2.7
121.10143	8.3
123.04414	1.9
123.08022	2.2
125.09619	3.3
127.03896	6.3
128.06241	1.0
129.05505	1.1
129.06996	6.8
131.08556	8.6
133.06500	3.7
133.10107	8.7
135.04390	1.5
135.08031	1.7
135.11682	4.0
137.05968	1.4
137.09624	4.7
143.08496	1.3
145.10086	5.7
147.04402	2.8
147.08057	2.2
147.11656	11.7
148.08493	1.1
149.09613	3.7
151.11276	1.6
153.12762	2.6
155.10648	2.7
157.10118	9.2
161.09650	2.1
163.03879	6.0
163.11185	6.2
165.05513	1.2
165.12692	2.4
171.11554	1.2
173.04471	1.7
173.09564	1.7
173.10246	1.4
173.11729	16.6
173.13220	0.8
175.11156	8.5
181.12201	1.2
187.15015	1.2
189.11064	1.9
191.10608	1.9
193.12213	28.0
209.11639	2.3
211.11201	2.3
211.13263	47.8
212.13728	1.4
227.12755	6.7
229.14320	60.5
230.14636	2.0
231.49562	1.0
267.15875	17.8
277.14365	1.3
283.15390	3.2
285.16937	33.2
353.15735	1.1
355.17346	1.2
383.22092	1.1
403.24585	1.3
421.25757	16.4
439.26868	100.0
440.27234	5.6
457.25760	2.6
475.26761	4.4
493.27826	2.7
517.27673	1.1
545.27283	1.1
619.31335	1.2
636.30896	3.2
637.32397	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	637.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77312	0.4
67.05433	1.4
69.72255	2.2
69.72670	1.3
79.05412	1.0
81.06952	0.5
91.05415	0.8
93.06963	0.8
95.08520	0.7
98.21426	0.9
105.06996	0.7
115.05307	0.4
120.07999	0.6
143.90915	0.5
168.07988	0.5
172.45294	0.5
183.09149	0.6
190.01581	0.6
197.10550	0.8
208.09676	0.5
209.10617	0.7
221.10680	0.5
223.12137	0.7
224.09290	0.6
233.10796	0.8
237.10049	0.7
249.10153	0.7
258.11298	0.4
266.99097	0.5
271.96548	0.5
285.13751	0.5
296.79346	0.5
298.13171	0.9
300.14948	0.6
312.14911	0.7
316.41562	0.5
327.13324	0.5
346.13422	0.7
349.15619	0.5
360.14847	0.7
361.14679	0.9
363.16055	0.8
372.14114	0.5
374.16391	0.6
375.16434	1.3
376.16913	1.0
377.17590	2.9
378.18286	2.1
379.19031	1.0
384.14453	0.5
385.14706	1.0
386.15515	1.1
387.16168	1.7
388.17667	0.9
389.17740	1.7
390.18536	1.8
391.19284	4.7
392.20044	3.3
393.20636	5.6
399.15933	3.0
400.16840	2.8
401.17636	6.0
402.18747	1.4
403.18994	1.8
404.20135	1.1
405.16620	1.6
405.21286	3.8
406.21490	2.0
407.22318	7.3
408.22986	0.8
411.16391	0.5
413.17740	4.3
414.18610	5.9
414.45844	0.6
415.19370	8.6
416.19781	2.1
417.16757	1.4
417.21359	1.2
418.17514	1.0
419.18143	3.2
420.18832	1.2
421.20093	7.0
425.17465	1.3
427.19022	1.8
428.15247	0.9
428.20822	3.2
429.21509	7.3
430.21960	2.8
431.18402	2.4
432.19461	0.9
433.15964	1.2
433.20633	1.0
434.20859	1.0
435.21686	6.6
436.22437	2.0
439.19144	0.8
440.19873	0.7
441.17117	2.0
442.17703	1.6
443.17072	3.6
443.22488	3.8
444.18909	5.4
445.20746	4.1
446.21585	1.1
447.17334	3.9
448.18503	1.1
455.18945	0.8
456.19385	1.5
457.20627	5.7
458.21350	4.5
459.18042	2.4
459.22620	0.8
460.18909	1.6
461.19516	2.8
463.21204	1.7
469.16486	1.0
470.16919	1.0
471.22482	8.1
472.23376	4.9
473.19534	6.5
474.20486	4.1
475.17349	1.8
475.22220	0.8
476.17947	1.3
483.17465	0.7
484.18887	0.9
485.19653	5.5
486.20508	7.3
487.21634	4.4
488.21826	1.7
489.18881	2.8
489.23035	3.4
490.19513	6.1
491.20743	2.4
499.21350	13.0
500.22717	3.4
501.22437	1.9
502.19910	1.8
503.24197	3.5
504.21402	1.4
504.69431	0.5
511.59225	0.5
513.19226	8.5
514.20135	2.5
515.20612	0.7
516.21851	2.5
517.22302	20.0
518.22284	1.9
519.19879	1.0
521.25299	2.7
522.26056	0.9
527.20599	3.2
528.21381	1.2
529.22467	2.2
531.24438	12.6
543.23895	0.9
544.20734	0.8
545.21753	2.2
549.24957	8.1
559.23315	84.9
560.23535	4.2
573.21411	1.3
577.24170	3.0
578.25043	1.0
587.22870	18.4
588.22961	1.3
591.25848	5.0
605.23859	11.4
609.26788	1.5
619.25427	77.7
620.25769	4.2
637.26471	100.0
638.26715	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	637.2644
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
59.87091	0.5
69.50377	5.7
70.06360	0.6
73.96730	0.5
74.74122	0.5
107.34555	0.6
135.87140	0.6
320.97559	0.6
376.17685	0.7
377.17377	0.9
378.18771	0.8
386.15363	1.3
387.16257	0.9
388.16934	0.6
390.18930	1.0
391.19144	1.6
392.19824	1.0
393.20770	3.0
398.15970	0.8
399.16119	2.0
400.16888	3.0
401.17734	4.3
402.18494	1.1
405.21295	1.0
407.22134	2.4
412.17133	1.0
413.17813	3.3
414.18591	5.5
415.19318	8.2
416.20526	0.9
417.21143	1.3
421.20081	2.2
425.17688	0.9
427.19501	1.5
428.20282	3.8
429.21109	8.9
430.21545	2.3
431.18423	1.1
435.21826	2.3
441.16998	1.2
442.17819	1.9
443.18103	3.0
443.22461	4.1
444.18436	3.6
444.24390	1.0
445.20517	2.8
455.18558	0.9
456.19861	1.4
457.20609	4.7
458.21024	4.5
459.21906	0.7
471.22540	6.1
472.23038	4.8
473.19803	2.7
474.20300	1.4
483.18585	1.0
484.19009	1.4
485.19736	2.0
486.20419	5.8
487.21240	3.0
488.22006	1.2
489.23047	1.2
490.20053	2.5
499.21243	9.0
500.22348	3.9
501.23175	1.0
503.25027	3.4
513.19354	1.5
516.21460	1.6
517.22156	3.5
527.20508	2.7
528.21167	1.3
530.22546	0.7
531.23944	11.7
532.23730	0.9
543.23798	1.8
545.21466	0.8
559.23328	100.0
560.23560	9.1
587.22839	16.9
588.23126	2.1
605.23761	1.0
619.25403	92.8
620.25458	7.5
637.26410	7.9
638.26117	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05438	1.8
67.05428	3.9
69.06994	1.6
79.05411	2.1
81.07041	3.4
83.08575	0.6
84.15232	0.5
85.10115	0.6
91.05393	2.0
93.06953	2.4
95.08607	3.0
97.10069	0.8
105.06921	1.6
107.08517	1.1
109.10075	0.8
117.06926	0.8
119.08488	2.3
121.10040	1.6
129.06926	1.3
131.08463	1.7
133.10013	1.5
135.11598	0.9
141.06856	0.6
143.08508	1.5
144.08008	0.9
145.10001	1.6
147.11575	1.4
155.08456	2.2
157.10043	2.2
159.11613	1.7
159.62164	0.6
167.08504	0.7
169.10046	1.6
171.11601	1.0
181.09999	1.1
183.11617	2.0
185.13130	1.0
195.11681	1.3
197.13226	1.2
199.14737	1.2
202.15816	2.4
203.16135	1.8
209.10739	0.7
209.13147	1.2
211.14673	1.1
215.10037	0.6
220.16840	2.1
221.17229	0.6
223.12140	0.7
225.16277	0.7
300.13559	1.7
301.13809	1.2
361.15567	0.7
377.17511	1.3
386.15219	1.2
387.16296	1.0
388.17920	0.9
391.19385	3.9
399.16168	1.9
400.16718	3.6
401.17499	5.3
402.18887	1.1
403.19235	1.8
404.15594	0.8
405.20947	1.5
406.21506	1.1
407.22064	2.2
411.16696	0.8
413.17682	3.2
414.18628	3.2
415.19330	7.4
416.19940	1.8
417.20752	2.0
419.17743	3.0
419.23172	1.1
425.17761	0.9
427.19089	2.1
428.20471	4.3
429.21338	5.5
430.21829	3.5
431.18515	2.5
432.19534	0.7
433.20346	1.2
434.20822	1.0
439.18851	0.7
441.16623	1.0
443.17764	2.2
443.22284	5.0
444.19113	6.0
445.19888	3.2
446.20883	2.1
447.17557	7.3
448.18515	0.7
456.19489	1.5
457.20950	3.7
458.21155	3.0
459.17978	2.5
461.18887	1.2
461.23959	1.4
462.20499	3.4
463.24884	1.8
470.17896	0.7
471.22205	10.3
472.18018	0.9
472.22388	2.7
473.18375	3.4
474.20279	5.2
475.17377	2.5
475.22397	1.3
476.18176	0.9
483.21939	0.8
484.18375	1.6
485.19687	2.3
486.20541	5.5
487.21249	1.2
488.22571	0.8
489.23126	7.7
490.19620	7.8
491.20227	1.0
499.21170	19.6
500.19223	1.9
500.21555	2.1
501.23349	7.1
503.20261	3.8
507.23917	4.1
511.21527	0.9
513.19080	1.2
514.20020	1.2
516.21429	1.8
517.22278	18.1
518.22052	1.2
527.20801	3.3
529.22321	11.7
529.38605	0.9
531.23846	3.1
535.23260	13.9
536.23572	0.8
545.21771	53.7
545.43622	1.2
546.22083	4.1
549.25342	1.0
555.20166	2.1
559.23358	21.8
560.23395	1.5
563.22754	4.3
563.44989	1.1
573.21228	16.6
574.21680	1.5
577.24347	2.9
578.24890	1.1
605.23859	100.0
606.24194	7.2
609.27991	0.7
619.25885	5.0
619.46991	2.9
637.26465	63.5
637.48291	9.1
638.26544	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	637.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55329	0.7
53.50043	0.7
66.55154	0.8
67.05486	1.2
73.05831	0.7
75.07137	0.7
78.94891	0.8
79.05489	0.8
91.05496	1.1
95.08595	1.2
98.21468	1.7
100.11263	2.2
105.41549	0.9
114.41085	0.8
153.37297	0.7
184.07364	2.3
219.17516	1.0
229.80743	1.1
240.74382	1.1
248.16579	0.9
321.25519	1.9
360.14734	0.9
375.16913	1.1
376.96579	0.9
383.71729	0.9
386.15381	1.6
387.16168	2.2
390.19153	1.1
391.19147	3.6
394.19882	0.9
399.16345	1.9
400.16861	1.3
401.17599	3.7
402.18875	0.9
403.19485	1.0
405.20963	2.8
407.22385	1.7
411.16196	0.9
413.17569	2.7
414.18378	2.2
415.19507	6.0
416.20227	1.5
417.20993	1.9
419.18588	2.4
427.19809	1.1
428.19962	3.0
429.16187	1.3
429.20886	3.2
430.21600	2.6
431.18646	2.4
443.17746	1.3
443.22339	3.2
444.19211	5.2
445.20306	2.5
446.21167	1.3
447.17365	5.6
456.19760	0.9
457.20468	1.2
458.20901	3.6
459.17722	1.3
461.19818	3.2
462.20496	3.2
471.22324	7.1
472.22739	2.3
473.19815	4.6
474.20471	4.2
475.17279	2.5
475.22330	1.4
484.18976	1.3
485.19669	2.2
486.20502	4.3
489.18240	1.8
489.23163	3.5
490.19739	6.4
499.21194	16.6
500.21573	2.8
501.23346	7.0
502.19464	1.4
503.20853	3.1
507.23456	2.5
517.22302	19.9
518.22540	1.3
525.36829	1.2
527.20667	2.6
529.22382	9.3
535.23334	11.8
545.21783	49.1
546.22034	2.0
555.20215	1.5
563.23334	4.3
573.21167	16.8
574.21301	1.3
577.24884	3.9
578.24609	0.9
581.42346	1.1
605.23877	100.0
606.23926	7.0
637.26459	49.1
638.26770	3.0
661.06873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25095	0.8
52.52804	0.8
55.05505	1.2
57.07057	1.3
67.05486	1.6
69.66991	7.0
79.05485	0.9
81.07022	1.5
81.89022	0.8
89.03918	0.9
95.08575	1.0
103.49520	0.8
107.08569	1.3
108.08115	1.0
118.06503	0.9
118.19449	0.8
162.05489	2.4
163.41115	0.9
180.08058	1.9
181.07550	1.9
181.08932	1.0
182.08302	1.4
183.09103	1.1
193.07567	2.4
194.08321	1.7
195.09129	5.0
196.09933	3.0
197.10707	3.8
198.12834	1.1
207.09081	3.9
208.07796	1.6
208.09911	4.4
209.07005	1.9
209.10741	7.7
210.07756	1.2
210.11394	6.8
210.12827	0.7
211.08658	1.2
211.12325	3.4
212.13097	2.2
215.47073	1.1
221.07034	2.6
222.07848	1.6
222.11450	1.2
223.08696	7.3
223.12250	6.1
224.09395	17.0
224.12987	3.3
225.10204	7.6
225.13791	9.9
226.10764	0.8
226.14508	2.6
227.15475	1.4
235.08646	6.2
236.09337	4.4
237.06393	1.3
237.10179	4.7
238.10909	2.1
239.08078	2.3
239.11688	1.0
239.76338	0.7
241.09689	1.1
249.06638	1.4
251.08023	4.6
251.11772	6.2
252.08821	1.5
253.10576	1.4
253.13307	24.4
255.11266	4.7
256.12042	4.1
263.08090	4.3
263.74438	0.8
264.08841	4.1
265.09732	3.1
266.06769	0.9
266.10483	1.8
267.07562	2.2
269.09186	1.6
269.12814	1.7
270.13577	2.2
271.14386	3.7
272.07761	1.2
273.79953	0.9
277.06073	1.4
278.06650	1.0
279.07596	2.3
279.11221	6.0
281.09140	5.5
281.12692	2.2
282.09839	1.4
283.10721	1.4
285.18326	0.8
291.07614	6.2
293.09109	3.0
295.07059	2.2
295.10559	1.2
297.12408	5.6
300.10971	1.1
308.07846	1.3
309.08621	1.8
310.09280	4.4
311.10123	1.2
311.13754	1.2
319.06989	2.5
323.10153	1.3
325.11804	5.0
351.09729	23.4
353.11343	1.0
369.10745	36.2
370.11099	1.9
403.45935	0.9
456.15509	0.9
458.17130	1.1
470.16614	1.9
477.91937	0.9
482.16766	0.9
489.22531	1.8
503.21054	1.5
517.22400	8.3
545.21667	2.0
549.24585	1.4
573.20844	5.2
577.24347	45.6
578.24512	2.7
605.23846	100.0
606.24109	7.7
623.24390	1.3
637.26398	19.5
638.26947	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05470	1.2
57.03411	0.7
60.17039	0.5
67.05436	2.2
69.07025	1.0
70.31792	2.4
79.05428	1.8
81.07055	2.7
83.04916	0.8
83.39240	0.5
91.05469	2.4
93.06968	2.1
95.04922	1.0
95.08535	1.1
97.06451	0.7
102.08228	0.6
105.06950	2.1
107.04909	1.3
107.08504	0.8
109.10094	0.8
117.06937	0.9
119.08495	1.7
121.10080	0.6
131.08513	1.3
133.10092	1.1
145.10074	1.1
157.10066	0.6
166.15813	0.5
171.11595	1.0
178.62221	0.4
183.11566	0.5
221.10797	0.7
275.19907	0.7
363.16043	0.8
374.16336	0.7
375.16467	0.7
377.17618	1.6
378.18472	0.9
385.14758	0.6
386.15448	1.2
387.16302	1.5
388.17685	0.7
389.18033	0.6
390.18658	0.8
391.19080	1.7
392.20169	1.2
393.20935	2.4
399.16058	2.1
400.16711	3.6
401.17795	3.7
402.18262	0.8
405.20999	1.0
407.22025	2.6
413.17657	3.4
414.18597	5.1
415.19263	10.0
416.19846	1.6
417.20898	1.1
419.18552	0.8
421.19858	2.7
424.16171	0.6
425.17789	1.2
427.14676	1.1
427.19373	1.8
428.20468	3.3
429.21252	8.8
430.22122	3.4
431.18912	1.0
433.20212	0.6
435.21793	1.8
439.19351	0.8
441.17178	1.6
442.17801	2.0
443.18054	2.8
443.22430	4.6
444.18491	5.4
445.20309	3.3
447.17938	1.0
456.19363	1.7
457.20361	5.1
458.21024	5.0
459.22308	0.8
461.19119	0.8
462.20523	0.8
469.16467	0.9
470.16895	0.7
471.22278	6.6
472.22903	5.4
473.19272	4.3
474.20792	1.5
475.21442	1.0
476.18469	1.0
484.18805	1.4
485.19809	2.6
486.20456	6.7
487.21292	3.6
488.22015	1.5
489.23303	1.1
490.19876	2.4
491.20053	0.6
498.20151	0.7
499.21234	10.2
500.22351	4.0
501.21964	0.8
502.20258	1.1
503.24759	4.5
513.19336	1.5
514.19971	1.1
516.21436	0.8
517.22296	4.5
527.20862	2.4
528.21356	1.4
529.22400	0.7
531.23938	12.9
532.24274	0.9
539.37146	2.1
541.22552	0.7
543.23779	1.2
544.22089	0.7
545.22339	0.6
549.24915	1.3
559.23358	100.0
560.23651	7.9
574.52179	0.6
587.22864	15.4
588.23059	1.4
605.24268	0.7
619.25452	91.3
620.25873	7.8
637.26337	8.4
638.26849	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16238	0.2
53.77052	0.2
59.97330	0.2
60.14602	0.3
61.08720	0.2
61.30717	0.2
61.38724	0.2
68.45320	0.2
69.40714	0.6
69.41129	1.5
77.84972	0.2
79.24384	0.2
98.20563	0.2
105.81420	0.2
119.74852	0.2
132.13751	0.2
209.10716	0.4
223.12361	0.4
234.85876	0.2
235.12537	0.3
258.73105	0.2
314.12848	0.2
375.15900	0.2
387.16269	0.4
388.17163	0.4
389.17819	0.8
391.19113	0.5
401.17499	1.1
402.18607	0.8
403.19324	1.7
404.20093	0.6
405.20776	1.1
407.22983	0.2
410.00613	0.2
413.17966	0.4
414.14249	0.3
415.19427	1.6
416.15579	0.4
416.20319	0.6
417.16803	0.8
417.21484	2.1
418.17123	0.4
418.21701	0.7
419.22302	1.9
420.23114	0.9
428.15991	0.5
429.16956	0.9
429.21100	0.8
430.17175	2.7
431.17889	3.4
431.23438	0.6
432.19171	1.1
432.23383	1.1
433.19510	1.0
434.20447	0.3
435.21921	0.4
441.78351	0.2
442.17993	0.4
443.18201	2.4
444.18964	3.1
445.20010	10.6
446.21130	2.7
447.22278	1.5
457.20032	1.0
458.20859	8.7
459.21677	6.7
460.22760	6.8
461.19363	3.9
462.20206	1.0
463.20764	0.3
471.22443	0.6
472.22726	0.4
473.23569	0.7
474.20401	0.4
475.21136	2.0
476.22159	1.2
477.22858	2.2
485.24020	0.4
487.25220	0.4
489.23318	0.6
490.23456	0.7
491.24573	1.5
503.20691	0.7
504.25558	0.7
505.21573	1.2
516.21637	0.3
517.21643	1.7
518.23029	5.8
519.23682	0.7
530.23395	0.5
531.23889	0.9
532.24542	0.6
533.25684	3.0
535.23260	1.5
545.25458	2.2
546.26111	1.7
547.27063	0.3
549.25177	0.6
560.23712	0.5
562.25891	0.4
563.22614	0.2
573.25171	1.1
577.28558	2.3
578.27643	0.3
590.25507	0.6
591.25439	0.3
592.26849	0.6
605.27472	13.0
606.27893	0.9
637.30096	100.0
638.30414	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	637.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
71.64104	1.5
92.11047	1.1
336.16708	1.2
375.16586	1.2
391.19061	1.7
399.15930	1.6
401.17337	1.8
403.19815	2.1
405.20676	6.9
406.21518	6.2
410.66840	1.5
413.17487	1.6
414.18469	3.1
415.19052	3.3
416.19958	1.6
417.20786	2.0
419.22623	1.9
420.23074	4.5
421.23688	9.8
427.19162	2.1
428.20050	3.8
429.20740	13.2
430.21671	3.3
431.17694	1.5
431.22800	1.5
433.19565	2.6
433.24597	2.5
434.24686	1.8
442.21222	1.9
443.22232	7.8
444.22952	3.4
445.19641	6.0
447.17661	1.3
456.19516	1.4
457.23926	3.6
458.24619	6.0
459.21896	7.5
460.22549	5.6
461.19153	8.9
472.22586	6.2
473.19092	2.4
474.19690	1.3
475.21335	4.0
476.21686	5.6
485.23389	13.3
486.19931	2.5
486.24292	2.1
487.21057	2.0
488.21939	5.0
500.21829	1.4
502.24066	1.2
503.24347	19.2
513.22815	3.5
514.23413	2.3
517.26056	8.9
518.22723	1.3
529.25977	3.0
535.26990	27.3
545.25409	74.8
546.25598	3.2
563.26111	5.4
573.24945	17.6
577.28290	2.5
578.28345	1.9
605.27515	69.2
606.27795	4.5
637.30127	100.0
638.30396	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	637.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52534	1.5
57.07059	2.6
57.24697	1.2
64.12532	1.4
67.05484	3.9
67.27043	1.2
69.07061	1.8
71.08617	1.5
79.05463	1.9
81.07036	3.8
83.08656	1.9
85.10191	1.7
95.08585	2.7
98.20674	3.2
104.99160	1.5
107.08527	1.5
109.10159	2.6
123.93887	1.4
144.67381	1.5
148.18521	1.4
171.19431	1.6
188.44563	1.5
207.39482	1.4
229.46039	1.7
313.27423	1.9
401.17908	2.1
402.18588	1.7
403.19107	3.7
415.19464	2.3
417.21246	3.5
430.18024	4.2
431.18692	4.7
433.24631	1.5
443.18826	4.8
444.19235	2.9
445.19919	13.8
447.22104	2.1
457.19540	2.2
458.20969	17.2
459.22025	12.0
460.22562	12.7
461.19690	5.0
467.37314	3.3
475.21066	3.0
477.23181	2.5
491.24472	3.1
518.23499	7.6
525.40393	2.6
533.25391	3.9
545.25415	4.7
546.26154	4.4
577.27490	4.8
605.27515	81.7
606.27521	3.0
637.30139	100.0
638.29962	2.2
668.48114	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62916	1.7
53.03944	11.3
55.01864	13.1
55.05505	23.9
57.03426	11.3
59.04985	2.8
61.02903	2.7
65.03927	2.0
67.05139	2.0
67.05495	36.1
69.03423	21.6
69.07057	11.3
70.95453	5.2
71.01347	2.8
71.04984	10.7
79.05486	33.1
81.03404	100.0
81.07042	31.8
83.01315	6.4
83.04964	25.0
83.08598	21.6
85.02888	21.8
85.06564	2.4
91.04919	2.9
91.05466	41.7
93.07031	30.0
95.04958	27.2
95.08598	14.0
97.02876	20.7
97.06516	9.6
97.10126	6.1
99.04433	7.6
99.08053	2.5
105.04489	1.8
105.07010	27.0
107.04938	14.4
107.08579	20.8
109.02856	24.1
109.06495	12.0
109.10124	7.9
111.04429	16.0
111.08059	8.0
115.05427	4.2
117.06965	10.5
119.04905	2.8
119.08568	21.2
121.06476	8.8
121.10137	12.3
123.04381	5.1
123.08029	10.0
123.11691	5.2
125.09586	7.0
127.03886	14.9
129.05484	2.6
129.06975	10.0
131.04951	2.7
131.08572	10.8
131.09416	2.0
133.06432	3.6
133.10098	10.4
135.04442	3.4
135.08023	6.8
135.11655	13.3
136.90311	1.8
137.09607	2.0
143.08537	3.3
145.06508	2.6
145.10098	16.0
147.04390	5.6
147.07982	4.4
147.11647	11.9
149.05911	2.2
149.09578	7.6
151.11182	2.4
153.12704	8.4
155.08493	2.2
157.10132	8.5
159.08134	2.4
163.03885	4.7
163.11156	21.2
165.12752	3.5
173.09608	4.3
174.54996	1.9
175.11169	8.3
181.12244	7.4
189.09163	2.2
189.11171	3.1
191.10643	6.2
193.12222	29.0
209.11633	8.9
211.13252	40.5
215.10497	3.4
217.12318	2.2
227.12721	14.5
266.19366	1.9
267.15845	11.3
273.14795	3.0
283.15372	11.2
289.14178	2.6
319.15189	3.4
337.16537	2.7
353.15778	6.2
355.17450	4.3
383.22095	8.4
401.23059	3.3
409.18463	2.9
411.20163	3.2
457.26025	11.9
457.32263	3.1
475.26990	14.3
493.28015	12.5
601.29633	2.7
619.30664	8.2
637.32092	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	637.321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88665	2.1
53.03936	14.0
55.01867	17.2
55.05504	32.1
57.03427	17.6
57.07064	2.4
59.04985	4.5
60.75034	2.2
65.03923	5.6
67.05140	2.9
67.05497	56.1
67.92243	2.2
69.03424	27.2
69.07058	16.1
71.01328	6.3
71.04989	14.3
71.71323	4.1
79.05485	67.3
81.03407	100.0
81.07044	52.0
83.01344	6.0
83.04968	40.8
83.05418	4.0
83.08622	13.5
85.02897	18.9
85.06538	4.6
87.04460	2.8
91.04919	5.3
91.05470	78.6
92.96229	2.7
93.07032	63.2
95.04956	28.9
95.08586	29.1
97.02876	23.7
97.06520	16.8
97.10149	6.0
99.04449	9.3
99.08088	5.1
105.07015	48.0
107.04937	35.7
107.08569	24.6
109.02863	18.0
109.06509	13.5
109.10146	14.5
111.04424	19.1
111.08048	6.8
113.05994	2.6
115.05448	6.9
117.07030	20.5
119.04928	4.1
119.08561	28.5
121.06485	7.8
121.10130	16.3
123.04420	6.5
123.08044	6.6
123.11725	2.7
125.05951	3.7
125.09619	3.4
127.03899	21.3
128.06241	6.6
129.05476	3.5
129.06973	25.6
131.04883	4.3
131.08568	22.7
133.06480	7.7
133.10109	26.5
135.08018	5.9
135.11678	15.7
137.09641	3.7
142.07765	4.2
143.08575	8.5
145.06480	9.3
145.10098	19.4
147.04395	4.7
147.08032	5.5
147.11664	17.0
149.05916	2.9
149.09612	10.7
153.12730	10.1
155.08469	4.5
157.06474	4.1
157.10107	21.9
159.08058	5.4
159.11752	5.2
161.09637	4.2
161.13243	2.7
163.03900	4.9
163.11159	36.5
165.09129	4.0
165.12788	2.7
169.10197	3.8
171.08023	3.8
171.11742	6.6
173.04466	5.4
173.09593	7.8
173.13243	5.0
175.11206	16.3
179.08656	2.8
181.10234	2.6
181.12213	14.3
185.13176	4.8
187.11130	2.7
189.11247	3.1
189.12746	5.5
191.10664	10.8
193.12175	12.3
195.11728	3.5
207.13776	2.6
209.09891	2.3
209.11716	9.1
211.13258	6.9
213.12753	3.7
227.12674	23.0
231.13710	3.5
245.15309	4.8
249.14900	3.4
255.13721	6.4
265.14340	3.6
267.15848	43.5
273.14841	6.0
283.15396	34.8
291.15704	2.3
353.15952	8.6
367.85315	3.0
383.58200	2.3
427.19577	8.2
457.25644	10.7
457.31891	3.4
475.26773	25.8
493.27740	4.6
601.29529	3.1
619.31110	24.0
637.31750	15.0
661.72015	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.5
55.01859	7.3
55.05501	34.5
57.03432	12.5
57.07057	2.9
60.23501	1.9
61.02919	2.8
65.03926	4.1
67.05495	79.9
69.03419	18.2
69.07057	24.7
71.04974	7.9
71.70968	3.4
77.03901	2.6
79.05483	92.7
81.03408	48.6
81.07046	88.3
83.04971	38.5
83.08615	17.9
85.02895	9.5
85.06529	6.8
87.04475	1.9
91.05019	1.7
91.05466	79.7
93.07032	100.0
95.04957	21.7
95.08588	50.2
97.02892	12.8
97.06530	9.5
97.10144	3.9
99.04459	4.5
99.08079	3.0
105.07018	50.5
107.04918	9.7
107.07905	3.3
107.08584	42.0
109.02853	5.3
109.06493	6.9
109.10142	14.5
111.04443	7.6
111.08072	5.7
115.05454	3.4
116.10791	2.1
117.07001	19.4
119.04934	10.1
119.08555	33.4
121.06521	6.0
121.10124	26.7
122.92219	2.0
123.08057	7.7
123.11729	8.9
127.03889	8.4
128.06194	4.7
129.05414	5.9
129.06975	18.3
131.08563	16.1
133.06496	2.5
133.10100	23.0
135.08109	3.5
135.11659	13.7
141.07002	3.5
143.08478	14.0
145.06483	4.4
145.10098	17.5
147.04396	30.7
147.07983	2.8
147.11662	39.1
149.13220	19.0
149.38359	2.2
155.08511	2.8
157.10158	3.7
159.08052	2.3
159.11694	13.4
159.17715	2.0
161.09634	6.7
161.13214	13.1
163.14775	3.9
165.05487	9.8
165.12802	3.3
169.10112	3.1
171.11674	25.7
173.04402	3.4
173.09602	2.6
173.13261	5.7
175.14801	5.9
177.12810	6.6
177.16418	9.4
179.14229	2.6
183.11679	3.6
187.14806	2.3
189.12637	11.5
189.16365	13.1
195.11740	2.1
195.13805	9.2
201.16275	4.6
203.17909	11.7
207.11871	1.5
207.13776	31.7
207.17484	2.4
213.16481	4.3
215.17924	3.4
225.14812	2.9
233.15369	2.0
241.19452	2.3
246.43616	2.0
259.16895	4.0
263.49622	2.1
267.15991	4.4
269.17517	11.0
281.17444	52.1
339.17993	3.4
395.20532	4.7
396.05078	2.5
409.34598	5.2
411.32565	4.1
413.21698	17.9
437.34106	9.9
455.35565	2.9
471.21716	3.0
475.30493	81.3
476.30597	3.7
499.20993	4.6
545.21942	9.3
573.20935	3.5
605.23859	18.0
606.24689	3.6
619.34570	35.5
620.34430	2.8
637.26379	8.4
637.35901	3.2
648.82904	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.9
52.69518	2.1
53.03940	10.6
53.24839	2.0
54.15695	1.7
55.01857	6.3
55.05503	28.2
57.03426	15.8
57.07058	2.2
65.03928	5.5
65.64362	1.8
67.05497	82.5
69.03417	17.3
69.07050	19.7
71.04973	9.1
71.15681	1.9
71.16001	4.3
71.71896	1.9
73.02869	2.3
74.88776	1.7
79.05482	94.6
81.03404	46.7
81.07044	91.5
83.04973	38.2
83.08611	14.4
85.02395	2.2
85.02881	11.0
85.03321	1.9
85.06528	4.4
91.05468	76.6
91.06035	3.8
93.07033	93.4
95.04962	27.5
95.08598	39.9
97.02903	9.3
97.06509	7.4
97.10154	4.8
97.79787	1.8
99.04443	4.6
99.08057	1.9
101.20652	1.9
102.38577	1.8
103.05447	2.5
105.07014	54.6
107.04942	14.6
107.08569	34.6
109.02839	8.0
109.06492	8.1
109.10109	7.9
111.04412	8.0
111.08125	3.7
115.05443	3.9
117.06992	17.5
119.08556	30.4
121.06493	4.8
121.10136	14.3
123.08031	5.6
123.11691	3.5
125.09624	2.0
127.03869	10.3
128.06192	3.2
129.05490	10.6
129.06982	24.1
131.05052	2.3
131.08534	16.0
133.06474	2.3
133.10100	16.8
135.08032	3.6
135.11653	9.1
141.07024	4.7
143.08553	12.2
145.06497	2.4
145.10086	14.5
147.04347	2.5
147.07964	4.7
147.11670	38.7
149.09573	4.2
149.13231	13.4
157.10089	3.2
159.08032	2.1
159.11720	10.5
161.09602	4.2
161.13228	14.9
165.12662	3.7
169.10127	4.6
171.11659	29.0
173.04436	3.7
173.13258	3.2
177.05429	2.3
177.12700	7.9
183.11703	2.9
187.66040	2.0
189.12718	9.8
195.13756	8.4
204.48378	2.1
207.13765	31.3
211.48521	2.4
217.80272	1.9
225.14789	4.3
267.15927	5.5
269.17413	8.6
281.17429	56.2
287.16290	4.6
339.17917	7.1
351.17877	2.4
365.24478	2.8
383.58279	1.9
395.20273	4.7
403.30533	2.1
411.58667	1.9
413.21643	23.8
430.21161	2.2
447.31595	2.2
457.29529	4.9
475.30484	100.0
476.30692	3.8
528.12207	2.1
555.32745	2.3
619.34308	41.4
637.40546	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	637.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	15.3
55.01862	7.0
55.05503	35.4
57.03421	15.0
61.02906	2.6
65.03925	7.7
66.29913	2.2
67.05498	80.2
69.03420	23.7
69.07065	22.2
71.04980	11.5
73.02879	4.3
77.03891	3.0
79.05483	100.0
81.03406	58.2
81.07047	83.3
83.04971	35.0
83.08614	18.4
85.02886	16.2
85.06541	4.8
87.04459	3.0
91.05473	78.1
93.07030	96.8
95.04957	30.8
95.08589	39.4
96.06435	2.4
97.02885	18.0
97.06511	12.9
97.10146	4.7
99.04450	5.8
101.02343	2.6
105.04491	2.6
105.07017	52.6
107.04938	7.7
107.08574	33.5
109.02869	6.0
109.06509	10.5
109.10155	10.6
111.04429	9.9
111.08067	7.9
115.05437	2.8
117.06978	18.4
119.08563	32.2
121.06498	7.5
121.10108	17.3
123.07999	6.1
123.11711	6.1
127.03892	6.4
128.06213	6.0
129.05490	11.5
129.06972	22.1
131.08524	19.4
133.06506	5.5
133.10110	20.0
134.10576	2.5
134.11737	2.7
135.04396	3.3
135.08083	3.4
135.11694	8.9
137.05992	2.7
137.09589	2.8
141.07024	4.6
143.08540	13.0
145.06476	4.7
145.10115	12.6
147.04321	2.7
147.08017	5.4
147.11679	39.1
149.09583	2.7
149.13219	13.4
155.08501	4.1
157.10129	4.2
159.11638	11.6
161.09605	5.7
161.13219	11.2
163.03947	3.2
163.11218	3.2
169.10117	5.2
171.08130	3.1
171.11655	29.2
173.09721	2.7
173.13219	4.8
177.12773	5.8
183.06454	2.9
189.12758	10.1
193.12289	2.6
195.13820	7.3
207.13774	32.5
213.14812	5.1
225.14830	4.3
246.65286	2.4
251.16504	3.0
267.15991	7.9
269.17435	12.8
281.17419	58.0
287.16486	3.9
339.18051	9.6
349.17078	2.5
365.24524	2.5
395.20377	4.2
413.21915	17.6
457.29611	5.0
475.30551	96.6
476.30746	3.8
509.66553	2.4
619.34540	43.2
637.31805	48.7
638.32239	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	637.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	3.3
53.03944	12.6
55.01863	9.2
55.05506	35.9
55.05767	3.9
57.03435	14.0
65.03923	7.8
67.05498	83.7
69.03423	24.3
69.07058	22.8
69.72431	17.8
71.04978	11.2
73.02926	3.1
77.03923	2.5
79.05020	4.2
79.05485	88.2
80.52059	2.3
81.03410	55.1
81.07050	100.0
82.07374	3.6
83.04971	39.5
83.08602	23.4
85.02892	8.2
85.06539	4.5
91.05466	80.4
92.05802	2.7
93.07037	88.7
95.04948	30.5
95.08597	50.4
96.08945	6.0
97.02893	13.0
97.06524	13.9
97.10144	8.3
98.50521	2.1
99.04436	7.7
99.08100	2.8
103.05475	3.5
105.07021	56.5
105.07721	4.0
106.07346	4.0
107.04948	15.9
107.07915	3.5
107.08588	45.0
109.02875	10.3
109.06510	11.6
109.10145	13.1
110.10537	2.9
111.04418	8.9
111.08064	8.1
115.05447	2.6
117.07001	18.4
119.04931	12.8
119.08560	43.8
120.05275	2.8
120.08884	5.6
121.06495	7.4
121.10122	19.9
122.10487	3.0
123.04432	2.7
123.08061	5.5
123.11682	8.5
123.88451	2.7
125.09638	5.2
127.03921	9.0
129.05478	10.7
129.06984	24.5
130.71927	2.4
131.08542	26.1
132.08876	2.8
133.06445	4.7
133.10109	25.8
134.10461	2.9
135.08046	5.5
135.11653	12.8
136.12042	2.7
141.06996	4.6
143.08533	17.3
145.06430	5.1
145.10091	22.2
146.10486	3.1
147.04391	36.6
147.08063	5.4
147.10579	5.1
147.11684	46.1
148.04744	20.3
148.12000	4.3
149.04942	2.9
149.09694	2.8
149.13208	15.7
155.08482	5.0
157.10110	7.9
159.08038	3.5
159.11684	18.5
160.12018	5.4
161.09616	4.7
161.13297	12.6
163.11172	4.9
164.15227	3.0
165.05472	11.0
165.12764	4.9
166.05820	3.9
169.10126	3.7
171.08006	3.6
171.11658	32.4
173.04471	2.5
173.13248	4.7
174.13603	2.7
175.14859	3.6
176.20615	2.8
177.12749	8.2
177.16408	3.9
178.16711	3.5
183.11661	3.4
185.09718	3.2
185.13222	7.7
187.14816	4.8
188.15204	5.2
189.12738	9.6
189.16391	5.1
190.16743	4.9
192.18225	2.7
195.13835	6.6
197.13226	5.6
199.14754	6.3
200.15189	2.9
201.16389	8.3
202.16792	7.5
203.14235	2.9
204.18221	4.1
207.13783	33.3
212.15225	3.7
225.14873	3.5
233.15268	3.9
267.15915	6.8
269.17529	10.1
281.17416	59.4
321.17236	2.9
339.18048	7.5
395.20776	5.0
408.33432	2.6
409.33713	4.3
411.31451	3.3
413.21686	26.3
436.32742	4.0
437.33237	10.0
454.33862	4.3
455.33936	4.4
457.30032	3.0
470.72702	3.0
475.30637	94.1
476.31219	3.0
619.34540	47.2
637.39569	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26353	0.6
51.24790	0.6
51.56792	0.8
53.03939	3.3
55.01847	3.1
55.05502	7.2
57.03424	17.5
57.07066	24.2
59.04995	0.8
59.87392	0.7
61.02916	54.2
65.03889	0.9
67.05495	12.5
69.03415	20.4
69.07055	7.5
70.65176	0.7
70.83333	1.1
71.01328	2.0
71.04962	1.9
71.08252	1.2
71.08620	19.8
73.02905	19.8
73.03312	1.2
75.04465	1.4
78.81338	0.6
79.05499	4.2
81.03403	14.8
81.07045	14.7
83.04967	3.7
83.08604	9.4
85.02888	66.3
85.10159	11.1
87.04448	1.7
89.06049	0.7
91.03938	35.4
91.05460	3.7
93.07017	1.9
95.04948	1.9
95.08590	15.9
97.02876	51.6
97.06481	0.9
97.10139	4.6
99.04431	8.4
101.02369	6.4
103.03918	8.7
103.07535	1.1
105.07008	2.4
107.04923	1.8
107.08570	1.7
109.02865	10.7
109.06473	1.9
109.10123	8.5
111.04405	2.0
111.11701	1.1
115.03914	4.7
117.05470	2.5
117.06939	1.4
119.08527	1.8
121.10099	1.7
123.11700	5.0
125.09616	0.8
125.13215	0.8
127.03895	21.8
129.05469	4.9
131.08495	1.7
133.10097	1.6
135.11685	1.1
137.05855	0.8
137.13197	1.9
143.06956	0.9
143.08516	1.3
145.04918	13.8
145.10057	2.0
151.14688	0.9
155.07024	1.5
155.08513	1.6
155.45818	0.7
157.10114	1.1
158.67000	0.9
159.06506	2.7
163.05991	3.0
169.10153	1.1
171.06473	1.8
173.13242	0.8
183.06497	11.0
183.11559	0.9
201.07542	9.1
213.51685	0.7
219.08472	1.0
221.22531	0.9
239.23668	19.9
239.97769	0.7
257.24713	3.7
263.06735	0.7
275.20038	1.4
313.27307	100.0
314.27707	1.8
341.26797	3.8
355.28308	3.1
367.28421	1.2
383.27631	1.5
385.29483	1.7
397.29254	1.4
421.29578	1.3
439.30469	2.2
457.31552	10.3
475.32712	1.6
486.09854	0.8
539.36993	1.9
549.25555	0.8
605.23511	0.8
637.26263	5.2
637.38580	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	637.379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99494	1.1
53.03930	4.8
55.01859	3.2
55.05507	7.3
57.03431	16.3
57.06794	1.6
57.07067	23.6
61.02919	52.2
65.03963	1.5
67.05494	18.6
69.03046	1.3
69.03422	21.9
69.07056	8.4
71.01353	2.4
71.04990	3.0
71.08624	19.4
71.71677	1.0
73.02902	18.0
79.05478	9.6
81.03406	20.8
81.07046	17.2
83.04976	4.4
83.08610	10.5
85.02892	69.3
85.06534	1.3
85.10172	10.7
87.04462	2.6
91.03947	33.0
91.05460	5.7
92.74239	1.0
93.07025	7.7
93.61395	1.0
95.04966	4.0
95.08593	19.7
97.02878	54.2
97.06543	1.5
97.10159	4.3
99.04452	7.4
101.02367	5.5
103.03942	5.4
105.06998	6.2
107.04968	2.4
107.08585	5.0
109.02859	10.4
109.06490	1.4
109.10137	8.7
111.04423	2.5
111.11632	1.3
115.03905	5.4
117.05489	1.8
117.07039	2.0
119.08557	5.8
121.10124	2.5
123.08019	1.1
123.11678	3.9
127.03901	24.3
129.05475	3.7
129.06981	2.6
131.08571	3.0
133.10165	2.6
135.11713	1.8
137.13213	1.3
143.08560	1.3
145.04935	15.8
145.10065	2.1
147.04375	1.9
147.11661	2.2
148.04729	1.4
155.08495	1.2
159.06564	1.9
159.11728	1.7
161.09520	1.2
163.03900	1.4
163.05988	5.5
169.10059	1.0
171.06572	2.1
171.11678	1.7
183.06459	8.4
193.53293	1.1
201.07558	7.2
202.60304	1.1
217.81752	1.0
221.22491	1.1
239.23692	19.9
257.24771	3.3
269.17493	1.4
281.17542	2.5
313.27316	100.0
314.27606	2.5
341.26794	4.4
355.28439	3.9
367.28412	1.6
383.27698	2.1
385.29315	1.3
439.30444	1.3
440.51978	1.1
457.31461	13.3
475.30508	4.9
517.22156	1.4
525.35620	1.3
535.23492	1.7
545.21588	3.4
573.21136	1.5
577.24323	2.3
605.23859	9.7
619.34399	1.4
637.26410	9.2
637.39996	2.3
662.35779	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01850	0.6
55.05486	0.4
56.78473	0.2
57.03426	4.4
59.04982	0.5
60.61759	0.2
61.02927	0.4
63.02361	0.4
65.99696	0.2
67.01834	0.3
67.05487	0.5
68.01373	0.3
69.03413	2.5
71.01344	0.7
71.04977	25.0
71.29317	0.6
72.05276	0.3
73.02892	0.6
75.04462	0.9
79.05482	0.5
81.03400	1.2
83.04968	1.2
85.02887	28.5
86.03246	0.3
87.04437	0.6
89.03888	2.3
91.05437	0.3
94.06554	3.3
95.04962	0.5
96.05151	0.2
97.02875	5.9
99.04429	0.8
101.02326	0.2
107.04926	1.0
107.72756	0.2
109.02847	0.6
109.05244	0.3
110.06020	3.6
111.04417	0.4
117.03357	3.3
122.06003	24.8
122.49168	0.2
123.06316	0.3
127.03898	0.7
129.05453	6.6
132.64853	0.2
135.04388	10.2
138.05466	4.1
140.07027	5.4
141.01825	0.3
145.02814	8.3
147.04311	0.2
147.06519	1.3
150.05473	19.8
151.03859	0.5
151.05789	0.2
152.07047	0.3
153.01823	1.3
161.02374	0.3
163.03868	88.1
164.04202	0.9
164.88544	0.2
168.06525	100.0
169.06892	1.1
179.03281	0.3
181.04916	2.4
191.07095	0.2
258.05035	0.3
265.07077	0.3
269.04309	0.3
286.04608	0.4
287.05438	31.2
307.08032	1.2
314.12274	1.7
325.09113	21.6
326.09406	0.3
330.11691	0.8
463.08731	1.0
471.14737	0.5
474.13779	0.2
492.14886	11.8
493.15173	0.3
519.52362	0.3
638.20642	0.3
639.11163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01865	0.4
55.05479	0.5
57.03429	5.1
61.02902	0.3
66.74455	0.2
67.01850	0.5
67.05486	0.3
68.99786	0.6
69.03412	2.9
70.06094	0.8
70.06494	0.5
71.01321	0.9
71.04980	26.9
73.02897	1.1
75.04456	1.1
79.05484	0.6
81.03404	1.3
81.52191	0.2
83.04955	1.2
85.02889	31.2
87.04461	0.5
87.74118	0.2
89.03885	2.3
91.05413	0.4
94.06549	3.4
95.04972	0.4
97.02876	7.2
99.04434	1.0
107.04924	0.9
109.02865	0.7
109.05211	0.3
110.06023	3.5
111.04405	0.8
117.03352	4.1
122.06007	25.8
127.03885	0.8
129.05438	5.0
135.04391	11.7
137.02332	0.7
138.05458	4.0
140.07031	4.8
141.01833	0.8
145.02820	8.5
147.06483	1.4
150.05479	21.3
151.03906	0.9
152.07060	0.5
153.01808	3.2
161.02242	0.4
163.03876	91.2
164.04237	1.4
168.06532	100.0
169.06946	1.4
171.02933	0.7
180.06528	0.4
181.04916	2.6
186.05502	0.4
231.01894	0.3
241.04984	0.6
257.04471	0.4
258.05011	0.8
265.06851	0.4
269.04465	0.4
286.04764	0.9
287.05447	87.4
307.08026	1.1
309.09653	0.4
314.12277	1.7
325.09122	20.5
326.09430	0.7
330.11673	0.7
428.40378	0.3
463.08618	3.1
471.14502	0.4
492.07953	0.6
492.14957	10.8
493.15311	0.5
530.72144	0.3
558.71155	0.4
639.11963	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.118
Annotation	6-Hydroxyapigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
51.97485	0.1
57.03424	0.1
67.01860	0.6
68.99787	0.4
69.36149	1.2
69.36544	0.3
71.01350	0.5
71.04964	0.1
73.02913	0.2
75.96380	0.1
85.02886	1.1
89.03887	0.2
95.01335	0.3
97.02874	0.2
107.04921	0.1
113.02372	0.3
117.03351	0.2
129.01772	0.2
131.03395	0.2
135.04388	1.6
136.80812	0.1
137.02325	0.5
141.01788	1.0
151.21153	0.1
153.01797	4.8
153.22353	0.1
159.02800	0.2
161.02342	0.7
168.06430	0.2
171.02866	0.7
179.03336	0.3
189.05394	0.1
195.71393	0.1
203.03273	0.1
219.06430	0.1
241.04921	0.6
245.04283	0.2
255.66141	0.1
263.05273	0.1
269.04288	0.4
287.05441	100.0
288.05774	3.9
288.09030	0.2
299.05533	0.1
329.06464	0.2
445.07617	0.2
463.08636	3.0
464.09183	0.2
619.52649	0.1
639.11853	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1181
Annotation	6-Hydroxyapigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
58.46659	0.1
64.04329	0.1
66.85065	0.1
67.01842	0.4
68.99783	0.3
69.03388	0.1
71.01349	0.4
71.44241	0.3
73.02889	0.2
78.03694	0.1
85.02891	1.0
89.03880	0.1
95.01293	0.2
109.02843	0.1
113.02337	0.2
129.01750	0.1
131.03375	0.2
135.04395	1.1
137.02318	0.3
141.01775	0.7
153.01801	3.6
159.02855	0.3
161.02319	0.4
171.02882	0.6
179.03372	0.3
213.05447	0.2
241.04884	0.4
263.05585	0.2
269.04425	0.3
287.05450	100.0
288.05783	2.8
308.84778	0.1
329.06552	0.2
445.07605	0.2
463.08716	4.2
464.09109	0.2
479.48206	0.1
539.36646	0.1
639.11823	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	639.1186
Annotation	6-Hydroxyapigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
57.03416	0.3
61.02896	0.1
67.01852	0.5
68.99467	0.1
68.99763	0.4
69.03426	0.3
69.99839	0.4
71.01311	0.4
71.04982	0.6
73.02906	0.4
79.05473	0.1
81.03403	0.2
85.02892	2.6
86.03232	0.1
87.04449	0.1
89.03909	0.2
91.03953	0.1
95.01305	0.3
95.04942	0.1
97.02870	0.6
98.97575	0.1
99.04435	0.1
101.02351	0.1
103.03904	0.1
107.04932	0.1
109.02862	0.1
110.06038	0.1
111.00798	0.1
111.04378	0.1
112.58878	0.1
113.02332	0.2
115.03906	0.1
116.98611	0.1
117.03356	0.2
119.01919	0.2
122.05985	0.2
123.06341	0.1
123.30757	0.1
127.03876	0.3
129.01814	0.2
129.05458	0.1
131.01826	0.1
131.03363	0.3
131.04848	0.1
135.04393	1.8
137.02309	0.6
137.05962	0.1
138.05493	0.2
140.06993	0.1
141.01772	0.7
143.01872	0.2
145.02774	0.1
145.04942	0.2
149.06038	0.1
150.05492	0.2
151.05763	0.1
153.01799	4.7
155.01872	0.2
156.64621	0.1
157.03450	0.1
159.02946	0.4
161.02228	0.6
163.03865	1.7
164.04231	0.5
167.06995	0.1
168.06538	1.3
169.06862	0.4
171.02846	0.9
171.04192	0.1
173.02956	0.4
174.02916	0.1
177.00748	0.1
177.04041	0.1
177.05507	0.1
179.03410	0.4
179.52800	0.1
181.05020	0.1
185.02881	0.1
185.05980	0.1
187.04611	0.1
189.00221	0.1
191.03886	0.1
195.04134	0.1
196.04512	0.1
197.02910	0.1
200.04454	0.1
203.03983	0.1
209.00609	0.1
213.00098	0.2
213.05441	0.1
219.01672	0.1
219.06567	0.1
221.04971	0.1
227.01582	0.1
237.02711	0.1
241.04901	0.6
245.04933	0.4
246.05077	0.1
255.01189	0.2
259.06226	0.1
263.05695	0.2
269.04196	0.4
270.05081	0.1
279.03738	0.1
286.04593	0.1
287.05444	100.0
288.05783	3.4
288.09079	0.1
297.02368	0.1
305.07349	0.1
315.03244	0.1
321.10361	0.1
325.09091	0.2
326.09467	0.2
329.06485	0.1
357.04160	0.2
445.07297	0.1
463.08633	3.1
464.08984	0.2
477.08487	0.1
493.14993	0.2
514.08533	0.1
639.11749	1.9
639.21057	0.2
640.12024	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	639.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
53.75474	0.2
55.01881	0.2
55.05482	0.2
61.65221	0.2
67.01857	0.5
67.05477	0.9
68.99775	0.3
69.03412	0.5
69.07063	0.4
69.58715	0.2
70.99551	0.5
70.99883	0.2
73.11274	0.2
73.90587	0.2
78.04713	0.2
79.05481	1.0
81.03403	1.9
81.07043	1.1
83.04977	0.3
85.02868	0.8
89.03904	1.5
91.05466	0.9
93.07022	1.1
95.04934	0.5
95.08576	0.7
97.02850	0.3
97.06485	0.2
99.04428	0.4
103.05501	0.2
105.07017	0.6
107.04953	0.3
107.08578	0.5
109.02848	0.6
109.10149	0.3
111.04398	0.2
117.03355	4.6
117.06950	0.3
119.04911	0.7
119.08573	0.4
121.10114	0.6
122.40291	0.2
127.03860	0.4
131.08524	0.4
132.93481	0.2
135.04388	0.6
135.11781	0.3
145.02820	11.6
145.10014	0.4
147.04384	2.3
147.11661	0.3
149.05928	1.7
151.03862	0.7
153.01791	2.7
157.10182	0.2
163.03871	0.5
165.05482	0.2
171.02863	1.1
173.54060	0.2
175.03827	0.4
177.05437	29.4
178.05777	0.2
186.05443	0.3
229.04848	0.3
255.06555	0.3
258.05209	14.9
259.05643	0.4
270.05157	0.6
286.04669	36.0
287.05319	2.6
293.68079	0.2
301.07010	100.0
302.04373	0.3
302.07394	2.1
315.04950	2.3
315.53232	0.2
316.05597	0.3
321.09769	2.0
331.08057	7.5
339.10818	0.9
358.30786	0.2
422.27234	0.2
600.27716	0.3
639.16547	0.5
639.31433	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1905
Annotation	Demethoxycentaureidin 7-O-rutinoside
Peak:m/z	Relative Intensity
50.42197	0.2
53.03915	0.3
54.99225	0.2
55.01866	0.2
55.05498	0.5
57.03421	1.8
59.41582	0.2
61.02909	0.7
67.04688	0.2
67.05477	0.9
69.03413	1.7
69.66818	0.9
69.67248	0.8
70.06590	0.4
71.04977	8.6
73.02892	0.6
75.00433	0.2
75.04455	0.6
79.05467	0.6
81.03410	1.4
81.07038	1.3
83.04951	0.9
83.08611	0.3
85.02885	12.7
85.06511	0.4
86.03235	0.3
86.09698	0.2
87.04446	0.4
91.05447	0.8
92.02593	0.7
93.03391	0.4
93.04810	0.3
93.06994	1.0
95.04954	0.3
95.08573	0.7
97.02865	1.8
97.06527	0.3
97.88416	0.2
99.04439	0.6
105.07015	0.6
107.04952	0.3
107.08585	0.6
109.02850	0.7
109.10139	0.5
111.04405	0.5
117.06987	0.2
119.04918	0.3
119.08548	0.4
121.02837	0.6
121.10126	0.8
123.04443	0.3
123.11665	0.3
127.03851	1.0
129.05458	2.4
131.04958	0.3
131.08543	0.3
133.06383	0.2
133.10066	0.5
135.04413	0.4
137.05969	0.5
140.04657	0.7
145.02759	0.2
145.04945	0.9
145.10085	0.3
147.04427	1.2
147.06499	0.8
147.11674	0.5
149.09558	0.5
151.03879	0.9
153.05426	0.6
157.09987	0.3
161.13243	0.3
163.03885	1.2
165.09009	0.3
167.03357	7.4
167.07080	0.3
177.05434	0.7
179.03325	0.6
193.12177	0.3
197.04533	0.3
215.07071	0.3
217.04886	0.6
231.06525	0.7
232.07253	0.5
236.22523	0.2
242.05688	1.1
243.06451	2.5
245.04388	0.8
259.06091	1.2
260.06659	1.1
271.05933	1.9
273.04135	0.3
274.04599	0.3
281.17459	0.7
287.05441	4.5
287.08408	0.2
288.06277	3.1
298.04861	0.4
299.05441	2.5
301.03519	0.3
301.06720	0.2
302.07999	0.2
304.58038	0.2
306.26633	0.2
315.05182	0.3
316.05725	11.4
317.06113	0.5
331.08044	100.0
332.08408	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	639.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68409	0.3
64.54938	0.3
64.55383	0.3
72.79726	0.3
124.16039	0.3
185.10818	0.4
207.09233	0.3
209.10735	0.4
223.12299	0.6
237.13844	0.6
251.15392	0.4
273.84622	0.3
312.14917	0.5
326.16327	0.5
329.18973	0.3
364.17715	0.5
375.16415	0.7
376.17078	1.0
377.17624	2.0
378.18430	1.1
388.18204	0.5
389.17517	1.7
390.18100	1.7
391.19116	5.1
392.19910	4.2
393.20966	1.0
401.17575	0.4
403.19617	1.5
404.20135	2.4
405.20691	10.1
406.21472	4.3
407.22235	12.4
408.22888	0.6
414.21838	0.5
417.20767	1.3
418.21671	0.8
419.17554	0.4
419.22449	4.5
420.23047	4.1
421.17776	0.5
421.23785	16.0
422.17468	0.7
422.24536	3.5
423.17813	0.5
429.20569	0.5
431.22287	1.1
432.23660	0.5
433.24347	3.9
434.24759	1.8
435.18091	2.3
435.25262	1.1
436.18585	2.1
437.19720	0.8
445.20221	1.2
446.20352	0.6
447.21640	1.4
447.26056	1.1
448.26236	0.8
449.19717	1.4
449.27371	0.5
450.20505	1.6
451.21210	12.9
452.21942	3.9
459.21927	1.0
460.22556	1.3
461.23911	1.8
463.21158	1.5
464.22113	1.3
465.22818	18.1
466.23605	2.0
473.19717	1.5
475.20987	1.4
475.25650	1.2
476.22421	0.4
476.25745	0.4
477.22409	1.1
477.27774	0.4
478.23499	1.9
479.24265	1.7
487.21472	2.1
488.21887	1.5
489.22595	0.5
491.19699	1.7
492.21545	1.5
493.26227	2.2
501.22629	1.8
502.23218	1.0
503.24356	12.5
504.24899	1.4
505.22302	1.3
507.20093	0.5
507.27585	10.0
508.28299	3.6
519.24219	0.6
523.23303	3.7
533.25348	1.3
535.26935	18.0
536.27631	1.8
537.24878	9.0
551.26483	5.6
552.27203	23.4
553.27582	1.3
561.24847	4.4
561.32782	0.6
562.25568	0.8
572.68323	0.4
579.25995	12.2
580.26483	3.5
593.27527	1.6
595.28973	9.3
607.25458	0.9
621.26996	22.7
622.27448	1.3
639.27991	100.0
640.28320	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	639.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80557	0.7
53.36125	0.7
57.05600	0.7
58.34273	0.8
69.07069	0.7
71.70970	0.8
79.30473	0.7
87.77776	0.7
103.38814	0.7
106.19965	0.7
221.10883	0.9
223.12193	1.5
224.13188	1.0
225.13893	0.8
235.12430	0.9
287.05783	0.9
309.08936	0.8
345.06534	0.8
365.18848	0.8
376.16785	0.8
377.17691	2.3
380.21231	0.8
388.17786	1.0
389.18646	2.0
390.18445	2.9
391.19135	6.7
392.20181	2.5
403.19089	1.0
404.20377	2.5
405.20737	17.4
406.21469	8.1
417.20807	1.2
419.22693	4.6
420.22952	8.4
421.16458	1.2
421.23865	7.6
422.24387	1.1
431.18481	0.8
433.19641	6.0
434.25134	1.0
435.18173	1.7
435.26163	0.8
436.18848	3.1
445.20285	0.9
447.21738	2.8
449.19547	4.1
450.20438	5.1
451.21442	2.6
452.21780	4.8
460.22537	1.7
461.23599	1.2
462.20987	0.8
463.22250	3.7
464.22000	2.6
465.22787	57.2
466.23096	2.7
472.18964	1.0
473.19992	2.1
475.24945	2.8
477.18912	1.5
477.27173	3.9
478.23431	2.5
479.24362	8.7
480.25143	5.1
487.21448	2.5
488.21921	4.2
491.20670	2.2
492.21445	5.4
493.26047	5.5
501.22711	1.5
502.22772	0.9
503.24359	40.4
504.24915	4.0
505.22278	2.2
519.23932	2.3
521.25494	23.0
523.24048	1.4
537.25012	9.4
547.23364	5.2
548.23553	1.0
565.24377	68.8
566.24872	2.5
579.25848	0.9
580.26691	17.9
581.26917	0.9
607.25439	17.8
608.25885	0.8
621.26886	2.3
639.28021	100.0
640.28229	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	639.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80721	2.7
60.44383	2.6
63.98394	3.0
65.44384	2.5
66.72931	2.7
69.55046	2.5
70.63418	2.8
71.70782	3.7
81.07028	3.2
109.10123	2.7
125.66047	2.9
153.61093	2.8
263.12515	3.1
310.55441	3.0
381.46173	3.2
390.18271	4.0
404.19940	5.6
405.20578	14.0
419.22308	7.4
420.23007	4.0
433.23801	6.9
447.21588	6.2
449.19580	8.5
450.20557	5.2
459.21918	3.2
461.23688	3.4
463.21133	9.4
464.21945	9.6
465.22928	12.9
477.23013	4.9
478.23450	4.4
479.24396	38.6
487.21268	3.8
491.20544	5.6
492.25479	3.5
493.25842	27.6
519.23993	3.9
523.23193	17.2
537.24890	43.9
547.23279	10.0
551.26678	28.1
552.27313	100.0
579.25922	15.4
607.25146	20.7
639.27948	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2804
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.03953	0.5
55.01860	0.9
55.05504	2.6
57.03416	0.6
57.07053	0.3
57.68893	0.2
67.05492	4.7
69.03400	0.5
69.07061	2.7
70.07568	1.7
71.12115	0.3
78.72820	0.3
79.05479	4.0
81.03395	0.5
81.07037	4.2
83.04979	0.8
83.08599	1.6
85.06537	0.4
91.05463	3.1
93.07024	3.0
95.04946	2.8
95.08610	2.2
97.06528	1.5
97.10161	0.7
105.07001	3.4
107.04932	1.7
107.08586	1.8
108.71461	0.3
109.06506	0.5
109.10165	0.9
113.05943	0.3
115.05436	0.4
117.06998	1.5
119.08552	2.7
121.06522	0.5
121.10121	0.8
123.08059	0.6
125.09612	0.6
129.06995	0.8
131.08557	1.9
133.10132	1.3
135.08025	0.6
135.11673	0.6
141.07018	0.3
143.08560	0.8
145.10100	1.4
146.05992	0.3
147.08087	0.8
147.11697	1.0
149.09619	0.7
155.08571	0.3
157.10139	0.7
159.11713	0.9
163.11180	0.5
168.59326	0.3
169.10115	0.5
171.11725	0.7
173.13179	0.3
175.11148	0.3
179.14317	0.9
181.06407	0.4
183.08032	0.5
195.07855	0.3
199.07500	1.0
204.06496	0.4
223.08716	0.4
225.10239	0.6
237.10201	0.5
239.11874	0.6
246.63480	0.3
249.10339	0.5
251.11758	0.4
253.13405	0.3
257.19122	0.7
260.12164	0.3
264.11554	0.4
267.11380	0.3
273.18433	1.6
275.19965	2.4
287.05450	2.3
287.13986	0.3
291.19452	2.6
310.90582	0.3
311.16727	0.5
313.27515	0.5
314.13004	0.4
317.24603	0.4
326.12839	0.4
328.14719	0.4
347.22327	0.3
349.23676	0.4
355.12930	0.3
356.13950	0.4
391.15277	0.6
392.16119	0.5
393.17133	0.8
393.21283	0.4
405.17093	0.7
406.18097	1.0
407.18454	1.8
408.19623	0.3
417.17200	0.5
419.14688	1.0
419.19025	1.0
420.14966	0.7
420.19583	0.9
421.20392	5.0
422.21378	1.4
423.21747	0.7
432.19470	0.6
433.15842	0.7
433.20322	1.3
434.17285	1.1
434.21866	0.5
435.17200	2.2
435.22739	0.6
436.23068	2.2
445.16318	0.6
447.17224	0.6
447.22015	1.2
448.18567	2.7
449.19650	9.3
450.20282	3.0
451.21436	0.6
459.18170	0.8
460.18707	0.4
461.19556	1.1
462.20419	0.9
463.21695	5.2
464.22192	4.8
465.22739	1.0
473.19940	0.5
474.20663	0.7
475.21259	2.6
476.22906	0.3
477.18643	5.2
478.19910	2.0
479.21045	0.9
480.21216	0.4
491.20807	1.0
492.21356	0.9
493.22333	1.3
495.24033	0.6
505.22504	0.9
507.23721	1.2
509.25565	0.5
521.21875	0.7
523.23090	2.7
527.37781	0.5
531.33234	0.3
533.21771	1.0
535.23547	3.3
536.24091	1.2
537.21783	1.7
541.39172	1.0
547.23474	0.4
549.21118	0.7
550.25690	1.0
551.26526	2.5
561.25067	2.9
563.23022	0.5
564.23584	3.9
565.24121	2.4
579.26007	7.1
580.26074	0.4
581.24030	1.2
593.27045	0.5
595.25629	3.0
596.26624	0.6
597.26971	0.9
607.25500	0.9
610.27997	1.2
621.27069	3.4
621.42029	0.5
622.26770	0.5
624.25659	5.0
639.28033	100.0
639.42084	3.0
640.28333	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	639.2805
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.03943	0.8
54.69078	0.6
55.01861	1.5
55.05512	3.3
57.03421	0.6
57.07059	0.9
67.05492	6.8
69.03414	0.6
69.07055	2.5
71.04978	0.9
79.05478	6.0
81.03412	1.3
81.07038	7.9
83.04999	1.3
83.08602	1.6
91.05464	6.0
91.72155	0.5
93.07030	5.2
95.04940	2.6
95.08590	4.3
97.06534	2.5
97.10178	0.6
105.07017	7.4
107.04939	1.9
107.08565	4.1
109.06490	1.3
109.10157	1.9
110.10589	0.6
111.08057	0.8
117.07001	1.8
119.08578	3.4
121.06470	0.7
121.10140	2.2
123.08099	1.1
124.66954	0.7
125.09678	0.7
129.07025	1.4
131.08553	2.4
132.34332	0.6
133.10123	4.4
135.08052	1.0
135.11656	1.6
139.87427	0.6
141.06894	0.7
143.08595	1.3
145.10118	2.4
147.08038	0.6
147.11673	1.9
149.09615	1.2
157.10141	1.2
159.11716	1.5
161.13277	0.6
163.11241	0.7
169.10094	1.3
171.11612	1.3
173.09602	0.6
179.14258	1.3
185.13208	0.9
187.11258	0.7
197.13298	0.7
217.19456	0.6
223.12352	0.7
223.43571	0.6
235.08635	0.7
238.14568	0.7
251.15660	0.7
257.19009	0.8
273.18509	1.7
275.20001	4.3
287.05499	4.8
291.19601	1.9
313.27246	1.0
347.22195	1.1
349.23914	0.7
350.41141	0.5
363.16437	0.8
377.17563	0.9
389.17761	1.5
390.18848	1.0
391.19257	2.6
392.19897	0.9
393.20898	1.1
403.19791	0.9
404.20331	1.1
405.16373	1.1
405.21503	3.3
406.21561	1.9
407.17911	0.8
407.22504	2.0
417.20825	0.9
418.17511	1.3
419.18689	2.0
419.23181	0.9
420.23361	1.6
421.19769	1.3
421.24521	1.2
431.18484	0.8
433.20016	8.2
434.20807	2.7
435.22134	4.0
436.18649	0.8
445.20175	1.2
446.20917	0.8
447.22177	1.2
449.19348	4.2
450.20407	1.0
451.20953	1.1
452.22070	1.8
460.22717	1.1
461.23679	1.2
463.21320	2.2
464.22351	1.6
465.22855	12.5
466.23242	1.3
473.24130	3.4
475.25238	1.0
476.21271	0.9
479.24432	2.4
480.25040	1.7
487.21487	1.4
488.21909	2.1
489.23053	1.1
491.20279	0.8
492.21155	3.3
493.21362	2.9
501.22913	2.5
503.24435	8.1
505.22406	2.0
507.24075	4.2
509.25394	0.6
519.23901	1.9
520.24738	0.9
521.25470	10.5
523.27008	0.9
527.37195	0.7
531.23657	2.9
535.22595	0.6
537.24744	2.3
541.38800	2.2
547.23492	3.8
548.24084	1.7
553.29236	0.8
565.24335	14.6
566.24896	1.7
575.22968	6.3
579.25891	13.6
580.26532	6.9
581.27667	1.9
597.26733	2.8
607.25415	34.7
608.25568	2.1
621.26794	0.7
621.41199	1.1
639.28052	100.0
639.40710	6.6
640.28467	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	639.2801
Annotation	Cucurbitacin B 2-sulfate
Peak:m/z	Relative Intensity
55.05503	2.6
57.03421	1.0
67.05499	5.0
69.07065	2.6
79.05489	3.0
81.03413	1.0
81.07064	3.6
82.56273	0.9
83.08617	1.0
86.87777	0.9
91.05479	3.8
93.07049	3.9
95.04976	2.3
95.08610	3.2
97.10155	1.9
97.47849	0.9
98.20713	2.9
99.08088	1.1
105.07024	3.7
107.04921	1.7
107.08601	2.4
109.06544	1.7
117.07012	1.3
119.08583	2.0
121.10157	1.6
131.08600	2.0
133.10158	1.5
135.11679	1.2
136.42101	1.0
143.03476	0.8
145.10089	2.4
147.07994	1.0
159.11708	1.5
160.27902	0.9
170.70746	0.9
185.13339	1.3
209.10788	2.5
211.12411	1.2
219.17563	1.8
221.10838	1.8
222.11490	1.6
223.12404	3.1
224.13098	1.4
225.06709	0.9
225.13931	1.4
235.12331	2.3
236.13171	1.1
237.13965	3.2
238.14635	1.9
239.15591	2.6
249.13907	2.5
251.11844	1.3
251.15506	3.5
261.13919	3.0
275.20123	2.2
279.15100	1.8
287.05551	3.4
291.19586	2.3
299.10318	1.3
299.54205	1.0
313.27008	1.4
350.16650	1.2
365.17841	1.5
375.16565	1.2
378.19266	1.3
379.19452	2.4
392.20935	1.4
393.21155	1.8
403.19339	1.9
407.18848	3.0
408.19595	1.4
409.20416	1.8
410.21042	1.0
417.21185	1.1
419.18942	1.3
420.19690	1.3
421.20615	1.8
422.21344	3.6
423.21707	3.0
431.18655	3.3
433.20703	1.4
435.18228	2.9
445.20508	1.5
446.20947	2.5
449.19476	2.3
451.21558	1.6
459.22241	2.1
461.19885	1.2
462.20126	1.3
463.21646	1.2
467.20895	2.2
474.20322	1.2
475.21234	1.8
477.23465	1.4
479.21024	2.1
481.26730	1.2
482.23196	1.4
487.21008	1.7
488.21777	2.0
489.22705	1.2
493.22455	1.5
494.23407	1.9
495.24188	1.2
496.24930	1.3
501.22934	4.1
503.24158	2.0
505.22980	1.1
506.22958	1.2
509.25510	16.7
510.26099	2.2
517.22400	1.3
519.24005	3.9
520.24805	1.0
522.22583	1.2
527.37183	1.7
533.25781	1.2
535.27136	1.1
536.24359	1.2
537.25134	12.6
547.23401	6.1
551.26788	4.4
561.24939	9.2
562.24884	1.1
563.26697	1.9
565.24353	18.9
566.25055	1.5
567.29657	1.6
569.27472	22.0
579.26025	4.7
589.24640	3.0
596.26208	2.7
597.27002	100.0
598.27509	5.2
607.25494	18.5
611.28528	12.6
621.27185	16.9
622.27325	2.3
639.27899	46.9
639.43951	1.9
640.28229	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2805
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
52.44869	1.2
54.13497	1.3
55.05505	2.5
56.11839	1.2
57.85144	1.3
62.40258	1.5
67.05502	7.1
69.07047	2.1
79.05466	4.4
81.07063	7.4
91.05457	6.0
93.07018	6.3
95.04966	3.1
95.08588	4.6
98.20636	3.0
105.07001	5.1
105.17197	1.4
107.08587	1.7
109.10172	1.7
117.06985	2.5
119.08552	3.2
129.44792	1.3
131.08571	3.8
131.33553	1.4
133.10117	2.3
143.08568	3.0
145.10118	1.4
147.11702	1.9
169.10110	1.6
173.13087	1.2
202.15820	3.4
203.16260	3.0
216.56422	1.6
274.17804	1.5
287.05392	7.5
300.13623	4.1
301.14023	2.0
375.16165	1.6
376.16556	1.8
389.17755	1.6
390.18619	3.7
401.17679	2.6
402.18536	1.8
403.19330	3.6
404.19962	4.3
405.20810	3.3
407.22479	1.9
415.19070	3.6
417.16663	2.5
418.17422	1.7
419.22394	3.9
420.22983	2.4
425.18130	1.9
428.20163	2.8
429.21219	3.3
431.18225	5.0
433.20117	6.3
443.18124	1.7
444.23462	1.8
445.20071	5.1
446.20728	3.9
447.21640	7.9
457.24344	2.0
459.21515	4.2
460.22040	1.7
461.19327	1.5
473.23755	3.3
474.20383	2.5
475.20947	3.2
483.21701	2.1
484.22406	2.0
485.23532	2.7
487.21164	6.4
488.21967	9.0
489.22922	2.1
491.19897	7.0
501.23120	6.6
502.23557	5.5
503.24237	1.8
505.26401	3.5
506.26535	2.3
511.21289	2.1
517.22717	2.4
519.23505	2.0
527.37134	3.9
531.24255	1.8
533.25189	5.7
534.26373	9.9
535.26636	1.7
543.23865	2.1
561.24829	52.6
562.25671	4.4
571.23260	7.8
589.24292	9.9
593.27448	2.1
603.26123	6.1
621.26929	100.0
621.42181	4.3
622.26935	7.2
639.27924	62.5
640.27954	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	639.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.1
53.03941	5.6
55.01868	5.3
55.05508	17.1
57.03433	10.8
65.03931	3.1
67.05499	23.8
69.03046	0.9
69.03423	15.1
69.07057	7.1
69.55065	5.4
69.55476	1.3
71.04990	7.6
73.02909	1.2
77.31568	0.7
79.05016	1.3
79.05483	25.8
81.03410	100.0
81.07045	29.7
82.03757	1.2
83.04974	22.1
83.08611	20.0
85.02896	21.3
85.06538	2.5
91.05472	31.2
93.07036	16.6
95.04960	26.1
95.08598	10.4
97.02885	14.9
97.06529	6.1
97.10159	6.5
99.04443	4.3
99.08084	1.8
101.09431	0.7
103.03954	0.9
105.07019	21.7
107.04942	9.0
107.08580	11.5
109.02857	14.0
109.03523	1.2
109.06510	5.6
109.10160	3.1
111.04440	12.8
111.08066	10.5
113.06022	2.5
114.91039	0.7
115.05463	1.7
117.07001	3.5
119.04934	1.4
119.08572	18.7
121.06502	3.0
121.10129	9.8
123.04429	2.3
123.08082	3.3
123.11724	3.1
125.05978	1.1
125.09605	3.5
127.03914	9.3
127.07574	0.8
128.06200	1.7
129.05508	1.8
129.06992	10.6
131.04936	1.4
131.08556	11.8
131.09470	1.3
133.06511	2.9
133.10115	8.7
135.08064	1.0
135.11678	2.5
137.05995	2.0
137.09673	1.4
141.06981	1.3
142.07806	2.0
143.08549	1.0
145.02847	1.1
145.06468	1.8
145.10074	3.7
147.04437	2.8
147.08037	4.1
147.11665	17.1
149.06026	1.7
149.09625	5.0
151.11197	0.9
153.12747	1.9
155.08485	0.8
157.10094	12.3
159.08076	0.8
159.11621	1.3
161.05963	0.9
161.09669	1.6
163.03951	2.5
163.11163	4.4
164.04268	0.8
165.12758	5.2
167.07094	1.0
169.10258	0.8
173.04456	1.0
173.09663	2.1
175.11169	11.8
177.05493	2.3
181.12259	3.2
187.11313	0.8
187.72212	0.8
189.11212	1.2
191.06888	0.9
191.10680	3.7
193.12225	44.1
194.12560	1.1
199.11230	1.0
209.11710	1.1
211.13272	68.4
212.13701	2.0
223.13475	1.0
227.12733	4.9
229.14417	2.1
235.13292	1.1
249.14908	1.3
255.13950	1.9
259.13336	0.9
265.14236	0.9
267.15909	18.4
273.14923	2.4
277.14276	1.5
283.15533	2.1
285.16977	11.1
286.04709	1.5
287.05515	6.1
291.15814	0.9
301.06961	5.3
301.14026	4.1
309.17175	1.5
313.16580	1.6
315.04962	0.9
319.15475	2.6
331.08173	3.1
337.16550	3.6
355.17377	7.9
367.22641	0.9
385.23853	2.9
393.19183	2.4
403.24969	1.5
411.20081	6.7
429.21146	2.4
459.27386	6.1
477.28427	8.7
495.29486	11.9
506.24670	0.7
519.29407	1.3
561.31293	1.2
571.75824	0.9
585.30493	3.1
603.31726	2.2
617.85883	0.9
621.32782	8.5
639.33716	38.0
640.34442	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.2
55.01868	4.3
55.05502	16.8
56.99848	1.0
57.03430	9.5
65.03925	2.3
67.05493	22.4
69.03421	14.7
69.07064	7.1
71.04977	5.2
79.05482	25.7
80.13689	0.7
81.03404	100.0
81.07045	28.8
82.03728	1.1
83.04967	18.8
83.08104	1.1
83.08602	20.7
85.02890	22.9
85.06541	1.0
91.05466	30.8
93.07029	16.3
95.04951	27.0
95.08598	8.4
97.02298	1.4
97.02885	13.2
97.06536	4.2
97.10148	6.6
99.04460	4.2
99.08109	1.4
100.82118	0.8
103.05470	1.5
105.07018	23.8
107.04958	7.0
107.08578	9.0
109.02862	19.3
109.06497	5.9
109.10160	3.8
111.04434	15.0
111.08054	11.5
113.05995	2.1
115.05458	1.8
117.06999	5.0
119.04930	1.2
119.08560	18.2
121.06448	3.8
121.10135	8.5
123.04445	1.4
123.08052	2.0
123.11675	1.8
125.05946	1.1
125.09624	3.1
127.03896	9.4
128.06223	1.0
129.05492	1.8
129.06976	11.5
131.04927	1.1
131.08545	11.3
133.06485	3.2
133.10104	8.1
135.08040	2.5
135.11714	2.8
137.09590	1.1
141.06950	0.9
142.07790	3.1
143.08557	1.0
145.06520	1.0
145.10121	2.9
147.08031	3.5
147.11661	16.1
149.06096	0.9
149.09608	7.5
151.03955	1.0
151.11186	0.9
153.12743	2.3
155.08487	1.0
157.10101	12.3
163.11179	4.1
165.05473	0.9
165.12701	4.8
173.04428	1.4
173.09593	1.4
175.11140	13.8
181.12267	2.9
189.11154	1.5
191.10646	3.3
193.12215	44.0
194.12518	1.7
209.11676	1.2
211.13261	77.5
212.13585	1.3
222.69426	0.8
223.49239	0.7
227.12714	6.2
229.14357	2.6
233.15474	1.2
235.13332	1.5
249.14832	1.4
255.13928	0.8
259.13202	0.9
267.15875	20.3
273.14871	2.3
277.14566	1.7
283.15536	1.8
285.16928	15.5
291.15958	1.3
301.14224	5.1
309.16895	1.1
313.16516	1.5
319.15283	1.7
324.62170	0.9
337.16257	3.7
351.17813	1.1
355.17462	7.1
367.22919	1.6
375.18008	1.4
385.23727	2.3
393.18948	3.6
403.25037	1.2
411.20099	6.0
428.02274	0.9
429.21280	3.1
459.27429	7.0
475.25949	0.9
477.28357	11.5
495.29413	15.8
501.28226	1.4
511.29001	1.9
519.29047	0.8
573.30450	1.5
585.30664	1.7
603.32111	1.6
621.32697	9.6
639.33649	38.3
640.33594	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	10.0
55.01864	5.1
55.05501	21.7
57.03429	21.5
60.87246	2.4
65.03904	2.6
67.05502	44.6
69.03419	18.5
69.07041	12.9
70.37968	9.7
71.04971	7.2
73.02921	2.2
79.05484	51.0
81.02943	5.2
81.03408	100.0
81.06606	3.7
81.07046	45.9
83.04974	37.5
83.08607	17.3
84.52199	2.2
85.02884	15.6
91.04920	4.9
91.05469	76.3
91.06040	4.1
92.05746	2.6
93.07035	37.5
95.04958	35.3
95.08588	16.7
95.49268	2.4
97.02875	16.2
97.06496	8.8
97.10139	3.8
99.04430	3.0
99.08075	2.4
99.91171	2.1
105.07017	42.2
107.04952	21.7
107.08571	13.1
109.02867	13.5
109.06499	6.9
109.10133	6.5
111.04440	13.7
111.08078	10.9
115.05431	4.9
117.06989	7.9
119.04885	2.4
119.08562	29.4
121.06506	4.5
121.10111	10.0
123.08065	4.1
126.55473	2.1
127.03884	7.5
127.07542	2.7
129.05457	4.4
129.06984	22.3
131.08551	24.7
133.06439	6.0
133.10107	29.1
135.08025	2.9
135.11713	5.1
137.09602	2.1
141.06964	2.8
142.07777	5.5
143.08488	2.7
145.06494	3.3
145.10091	9.8
147.08063	7.6
147.11650	21.6
149.09610	7.5
155.08508	3.2
157.10124	24.9
159.11676	2.1
163.03915	3.2
163.11142	9.5
165.12717	6.8
169.10201	2.8
171.11627	3.4
173.13251	2.7
173.30833	2.3
175.11145	22.0
181.12314	2.6
191.10596	3.2
193.12225	44.3
209.11549	2.6
209.13359	2.7
211.13284	46.8
227.12730	8.0
249.15001	4.1
255.13707	3.0
265.14240	2.7
267.15897	85.9
268.16190	2.9
285.16864	9.5
287.05392	14.8
291.15714	3.5
301.14221	2.8
315.98099	2.5
367.22760	2.6
411.20023	3.7
429.20819	7.3
441.26065	2.8
459.27417	68.9
460.27835	4.2
477.28381	25.0
597.27014	3.5
621.32648	23.7
639.30005	13.9
640.30048	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	639.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.3
55.01862	14.1
55.05504	43.4
57.03428	28.5
57.07056	7.3
58.37598	2.5
60.35885	2.4
65.03933	5.0
67.05139	4.2
67.05496	82.0
69.06690	2.6
69.07055	38.3
69.40258	3.4
69.40662	25.4
69.92255	2.3
71.04974	10.7
73.06563	2.9
79.05477	79.2
81.03408	13.4
81.07040	92.7
83.04971	22.9
83.08611	22.6
85.06521	8.4
91.04920	5.3
91.05467	87.6
93.07027	69.7
95.01306	3.7
95.04939	30.8
95.08585	62.8
97.06515	20.4
97.10133	11.1
98.20750	6.1
99.08106	5.8
103.05466	3.1
105.07007	73.1
106.07343	3.3
107.04942	30.9
107.08580	46.1
109.06495	21.3
109.10144	29.7
111.04433	9.2
111.08087	6.6
113.06005	14.3
115.05405	4.4
117.07001	39.1
119.08565	50.8
121.06490	12.5
121.10126	20.8
123.04356	3.3
123.08025	15.6
123.11651	4.6
125.09615	11.8
128.06215	8.9
129.06984	25.2
130.07806	3.2
131.04918	2.4
131.07033	2.9
131.08548	49.4
133.06444	9.0
133.10103	36.1
135.08057	16.9
135.09015	3.5
135.11662	19.1
137.09540	4.3
139.11086	2.3
141.06963	10.8
142.07745	7.0
143.08542	30.0
145.06464	10.2
145.10097	53.4
147.04280	2.4
147.08047	11.8
147.11671	26.1
149.09608	16.3
149.13237	8.9
151.11154	6.8
152.26042	2.4
153.01862	2.8
154.07727	4.0
155.08504	16.7
156.09270	3.0
157.06461	4.1
157.10115	25.3
159.07990	15.3
159.11684	24.2
161.09633	8.4
161.13208	12.6
163.07474	3.2
163.11148	15.4
165.06990	3.6
167.08542	8.6
169.10089	20.2
171.08006	6.6
171.11676	18.6
173.09599	8.2
173.13208	13.5
175.11180	7.5
175.14798	5.6
177.12781	9.4
179.08533	4.4
179.14272	4.4
181.10118	11.4
182.10919	3.3
183.11607	17.8
185.09554	3.9
185.13255	8.9
187.11127	9.9
187.14783	8.4
189.11197	4.3
189.12729	3.9
191.08524	3.7
191.14302	3.4
193.10159	7.6
195.08003	2.8
195.11681	14.7
195.13647	3.9
197.09521	3.0
197.13242	12.1
199.11185	5.2
199.14780	7.7
201.12692	4.3
201.16527	2.7
203.14241	3.5
205.10249	3.5
205.12180	3.8
207.11673	7.1
209.09679	3.7
209.13203	12.2
211.11108	3.5
211.14757	8.5
213.12738	4.0
213.16371	5.2
215.14346	6.4
215.18037	2.3
219.09372	2.5
219.11653	5.3
219.13721	2.5
221.13187	6.2
223.11221	4.8
223.13097	3.3
223.14944	3.5
225.16394	4.1
227.12543	4.0
231.17361	2.9
233.13292	3.0
233.15338	4.4
235.14748	5.4
237.16377	6.0
239.18060	3.4
241.14252	3.4
241.19600	3.0
247.14655	2.9
255.17294	3.4
257.18991	12.0
259.20517	6.0
261.18539	3.4
266.14453	2.3
271.16934	5.6
271.20581	4.8
273.18515	19.1
275.20114	30.3
279.15839	20.7
285.22089	3.2
287.05460	48.5
288.05820	5.1
289.17828	13.6
291.19455	33.1
315.23056	3.2
322.79431	2.7
325.21411	3.4
325.25061	4.4
327.23071	4.1
333.24149	7.1
339.23239	3.1
341.24750	4.2
343.26215	9.4
347.22519	4.7
349.23978	4.1
363.21732	10.3
365.23239	3.3
386.69473	2.7
449.30746	4.4
473.34055	6.1
491.35208	7.9
509.36374	3.9
511.35608	5.6
527.35400	2.7
529.36511	10.2
547.37634	14.4
551.25305	2.5
561.24554	6.6
565.38763	35.6
567.37103	4.1
579.24866	4.8
583.38770	3.1
585.39532	3.2
593.42731	3.5
597.26965	11.7
603.40271	7.7
607.24884	2.8
607.43286	5.9
611.28625	5.8
621.41461	100.0
639.27484	22.3
639.42334	83.3
640.27576	3.2
640.42126	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	639.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99252	1.9
53.03934	6.0
55.01861	7.7
55.05505	23.0
57.03429	25.3
57.07052	2.3
65.03925	4.5
67.05495	60.4
69.07060	23.2
70.02693	12.0
71.34003	1.8
72.53337	1.9
79.05478	48.8
80.58224	1.7
81.03408	6.9
81.07043	58.5
83.04959	16.6
83.08611	11.3
83.46787	2.2
85.06519	8.3
91.05463	52.2
92.13300	1.9
93.06442	3.2
93.07022	46.7
95.04955	17.4
95.08589	40.6
97.06528	8.4
97.10148	4.6
99.04452	2.0
99.08053	2.5
103.05475	3.0
105.07016	47.7
107.04937	20.1
107.05579	3.0
107.08574	25.0
109.06495	13.7
109.10162	14.8
111.04431	7.7
111.08073	3.2
113.05983	9.2
117.07001	27.3
119.08568	31.4
119.09392	2.4
121.06470	5.8
121.10110	14.1
123.08056	7.8
123.11705	3.4
125.06014	1.8
125.09636	2.6
128.06203	4.7
129.06992	21.9
131.07027	2.1
131.08553	36.3
133.06514	4.8
133.10109	24.9
135.07990	6.0
135.11658	15.3
137.09561	3.0
141.06937	11.1
142.07799	3.3
143.08545	23.7
145.06512	6.8
145.10101	24.6
147.08022	6.9
147.11642	16.9
149.09625	3.2
149.13249	6.0
151.11157	4.3
153.06967	3.3
154.07742	2.4
155.08521	15.0
157.10088	19.3
159.08069	8.6
159.11636	21.2
161.09590	4.9
161.13245	8.8
163.11108	5.0
167.08588	8.0
169.10088	15.6
170.10999	2.3
171.08037	3.6
171.11673	13.6
173.09653	5.3
173.13226	10.0
175.11214	4.1
175.14812	2.3
177.12758	5.7
179.08563	7.3
179.14380	2.1
181.10052	9.5
183.11668	10.6
185.09637	3.9
185.13142	10.7
187.11211	5.8
187.14764	3.1
189.12761	4.2
191.08476	2.8
193.10123	4.1
195.11624	7.8
195.13692	2.0
197.09514	2.3
197.13293	9.8
199.11234	4.8
199.14812	4.6
205.10100	2.8
207.11646	5.1
207.13673	2.0
209.13249	6.5
211.11107	3.5
211.14766	4.5
213.12685	2.3
213.16422	4.0
215.14365	3.2
219.11676	3.9
221.13219	5.7
223.14819	5.6
225.16380	2.7
227.17903	2.5
233.13303	3.2
233.15399	7.7
235.14890	6.0
237.16440	2.6
239.17854	2.6
241.14279	2.6
243.17535	2.1
246.35327	2.2
249.16354	3.3
257.19046	3.7
259.20636	5.0
261.18558	4.1
271.16980	3.5
271.20538	4.0
273.18518	6.8
275.20078	8.3
279.15842	18.9
281.17661	3.2
285.22125	4.7
287.05560	4.7
289.18030	11.2
291.19482	6.9
295.20447	3.2
313.21762	2.2
325.25302	3.9
327.23306	2.4
333.24283	4.2
341.24368	3.1
343.26334	8.9
351.23123	2.6
363.21594	6.9
379.26056	2.0
436.18741	2.4
473.34079	4.9
490.19110	2.2
491.35132	4.5
501.22101	2.5
501.37158	3.3
509.36066	5.1
511.35703	4.4
519.23615	3.3
527.37292	4.6
529.36768	9.7
541.38654	4.2
547.22894	3.5
547.37732	13.6
549.35785	4.2
565.24878	3.5
565.38953	23.6
575.22742	2.2
579.24872	6.0
583.40015	4.0
593.41840	4.1
597.26855	9.0
603.39984	7.0
607.25403	11.5
621.41400	100.0
622.41699	9.1
639.27423	39.6
639.42188	42.5
640.27795	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	640.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35979	0.2
53.03926	0.5
57.03165	0.2
57.03431	2.8
60.18270	0.2
66.91603	0.2
69.03414	1.8
71.01346	0.3
71.04985	14.5
71.62022	0.3
75.04459	0.6
79.05473	0.9
81.03394	0.8
83.04968	0.6
85.02895	17.8
87.04449	0.6
89.03896	2.5
95.04951	0.4
95.14126	0.2
97.02882	4.2
99.04443	1.3
99.84336	0.2
107.04942	4.9
109.02882	0.4
111.04446	0.5
112.72384	0.2
117.03374	2.9
123.04377	0.6
127.03905	0.6
129.05461	4.5
135.04399	12.5
137.05984	0.4
144.06532	0.3
145.02835	7.0
146.03183	0.3
146.08101	2.2
147.06503	1.2
152.07039	2.3
153.01727	0.3
153.05446	7.7
157.59351	0.2
161.05949	0.2
163.03883	100.0
164.04233	2.2
164.09181	1.8
165.05511	0.4
169.31148	0.2
170.08089	2.4
176.07021	0.3
177.05502	0.4
181.04956	2.4
215.70520	0.2
219.06398	0.2
264.81961	0.2
265.06985	0.3
270.12497	0.2
287.05457	2.5
288.05829	3.0
291.08563	0.4
296.11237	0.3
297.52676	0.2
298.13232	0.3
307.08066	0.7
309.09595	0.6
316.13867	0.9
325.09143	17.7
326.09464	0.5
352.09503	0.2
459.13089	0.4
471.15036	0.4
494.16394	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	24.3
55.15268	3.8
57.03428	15.3
57.07064	51.3
67.05489	64.2
69.07050	30.2
70.05811	22.9
71.08615	35.5
79.05481	32.7
81.07048	69.6
83.04958	6.9
83.08606	27.2
85.10176	18.2
91.05454	38.4
93.07031	42.3
95.04950	9.3
95.08598	35.7
97.06537	7.5
97.10152	6.5
105.06997	25.5
107.08584	18.6
109.10144	16.5
109.11107	3.8
111.08091	5.5
117.06994	14.6
119.08562	17.2
121.10133	10.7
123.11749	7.7
126.29881	4.2
126.54455	4.5
131.08551	15.1
133.10114	19.2
135.11655	10.3
145.10138	7.6
149.09572	5.5
149.13208	10.3
159.11652	12.5
164.85298	4.1
164.88519	4.1
206.62912	4.3
222.44095	4.1
229.19443	5.0
255.15953	14.9
257.18945	5.9
269.17496	13.9
275.20023	32.4
295.07129	5.1
313.27322	70.3
349.23752	21.3
367.24927	6.2
493.38715	18.9
507.40411	100.0
508.40326	6.1
549.44232	5.4
587.46405	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.4
55.05506	27.2
57.03433	2.3
57.07080	12.2
67.05493	26.4
69.03426	2.0
69.07052	14.0
69.36758	18.8
71.08631	9.2
79.05491	19.1
80.30039	1.8
81.07044	26.0
83.04981	2.7
83.08608	17.9
85.06574	2.1
85.07669	3.1
85.10199	5.1
89.06062	3.1
91.05466	10.7
93.07045	11.9
95.04961	2.7
95.08592	15.9
97.10155	30.0
99.93829	1.7
105.07014	10.3
107.08587	30.9
109.10144	11.1
111.08055	2.4
117.06967	2.8
119.08572	4.6
121.10133	3.7
123.11687	3.6
125.09613	23.4
131.08540	6.2
133.10133	8.1
135.08060	4.0
135.11592	2.7
145.10129	7.8
147.11670	5.4
149.09616	2.7
149.13295	1.9
153.09073	2.4
159.11658	2.7
171.10164	2.7
171.11540	2.2
189.11195	14.5
192.11436	1.7
227.12752	100.0
228.13037	2.6
235.12485	2.1
257.18961	7.2
275.20059	23.5
313.27341	32.6
349.23685	20.1
407.21686	2.2
483.36920	12.0
488.24460	2.7
546.26129	3.3
548.26215	4.9
587.46704	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01862	7.5
55.05505	7.1
57.03421	1.9
57.07058	1.6
57.37244	0.5
65.03937	1.1
67.05499	14.5
68.05792	0.7
69.03402	0.9
69.07054	8.3
69.37204	1.4
69.37605	6.1
71.04994	1.0
71.08627	0.8
79.05481	16.1
80.05821	0.8
81.03401	2.4
81.07042	16.0
82.07388	0.5
83.04974	2.9
83.08609	3.6
85.06534	1.2
91.05468	14.5
92.05793	0.7
93.07034	12.7
95.01305	1.3
95.04957	3.8
95.08595	10.1
97.02883	0.9
97.06513	11.9
97.10161	2.9
99.08085	1.0
100.01199	0.6
101.57400	0.6
103.05457	0.8
105.07011	17.4
106.07350	1.2
107.04948	4.7
107.08578	10.6
107.09244	1.0
108.20439	0.6
109.06508	2.5
109.10143	4.5
111.08047	0.8
113.91611	0.6
114.51411	0.5
115.05450	0.9
117.07002	4.3
117.66681	0.6
119.08570	11.1
120.08917	0.8
121.06503	1.6
121.10130	4.6
122.10474	0.5
123.08047	1.5
123.11703	1.2
123.75015	0.6
125.09615	2.2
128.40930	0.6
129.06982	1.6
131.08557	7.0
133.06477	0.6
133.10101	9.2
135.08031	1.6
135.11687	2.0
137.09575	1.7
141.06949	0.9
143.08553	1.7
145.06444	1.1
145.10112	6.0
147.08015	1.0
147.11649	4.1
149.09575	4.5
149.13251	0.8
151.11156	1.2
155.08519	1.0
157.10115	1.9
159.08009	0.6
159.11633	3.7
161.09602	0.7
161.13237	1.3
163.11140	3.2
165.07263	0.6
165.09033	0.8
169.10104	1.7
171.11670	1.4
173.06042	0.7
173.11786	0.7
173.13243	1.9
175.11188	1.1
177.12701	1.4
179.14282	2.5
183.08023	0.6
183.11661	1.1
185.13278	1.0
187.11183	1.5
189.11182	1.4
197.13257	1.1
201.12645	0.7
211.14729	0.7
227.12704	3.1
229.19421	0.8
239.17943	1.3
247.20506	1.4
253.14491	0.5
257.18918	3.0
275.20032	23.9
275.23050	1.2
276.20288	0.9
278.49411	0.5
289.17828	0.9
289.44046	0.6
291.19476	1.9
292.19830	1.2
293.21106	1.6
311.16370	1.5
349.23679	9.2
377.55582	0.6
407.11893	1.0
408.12579	1.1
409.12857	1.3
410.14563	1.4
414.14569	0.7
421.12939	3.4
422.13684	7.5
423.14630	4.9
424.15732	2.6
425.16202	0.9
427.14465	0.7
428.16089	1.7
434.14441	0.8
435.14465	5.5
436.15460	8.0
437.11462	0.7
437.16193	10.5
438.17093	1.5
439.17978	1.3
440.15335	0.8
441.15445	1.7
447.14371	0.7
449.16418	3.2
450.17548	2.8
451.18311	6.1
452.18381	2.5
455.17239	1.2
463.14017	1.7
464.14224	3.4
465.15372	4.3
465.20108	2.0
466.16089	1.2
467.16998	0.7
468.14108	1.1
469.14890	2.0
470.15970	0.7
477.15509	1.6
478.16208	3.2
479.17526	4.3
480.17993	4.1
481.14960	1.2
481.19080	0.7
482.15811	1.2
483.16681	1.0
484.17880	1.0
492.18332	0.8
493.19061	9.3
494.14630	1.0
494.20294	1.2
495.16299	6.3
496.17245	1.8
498.15405	2.1
506.15823	2.2
507.16974	2.7
508.17429	10.3
509.18118	8.0
510.15540	1.6
512.16931	7.5
520.18176	0.8
521.18127	15.9
522.18439	5.1
524.16309	1.2
526.14349	3.1
537.17657	0.8
538.18359	1.4
539.18762	2.2
540.16241	0.8
543.36761	2.7
549.17804	2.4
552.19977	0.7
553.20593	3.8
566.18188	1.0
581.20264	73.4
582.20166	4.4
599.21362	17.3
600.21790	1.0
609.19635	1.9
622.22803	7.2
623.23273	0.9
623.42914	7.9
640.42419	1.8
641.22192	100.0
641.43939	4.1
641.87280	0.7
642.22455	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	641.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.7
55.01841	1.5
55.05505	2.5
57.03406	0.5
57.07048	0.8
67.05499	6.1
69.07053	2.4
69.76627	2.6
69.77037	0.9
74.23238	0.5
79.05486	5.2
81.06625	0.5
81.07042	5.9
83.04955	1.3
83.08582	1.1
85.92831	0.4
91.05459	4.5
93.07036	3.9
95.04938	1.5
95.08599	3.7
97.06492	1.8
97.10111	1.1
98.20751	0.6
105.07018	4.4
107.04896	0.9
107.08576	2.3
109.06450	1.5
109.10123	1.8
111.04314	0.5
113.05952	0.5
117.06985	1.2
119.08557	2.3
121.06500	0.6
121.10083	1.3
123.11721	1.1
125.09611	0.9
129.06938	1.6
131.08530	1.9
133.10086	1.7
137.09584	0.5
143.08466	0.6
145.10161	2.4
147.11604	1.3
149.09615	0.8
149.13298	0.5
155.08505	1.0
159.11613	1.3
161.13228	1.0
163.11145	0.9
169.10075	0.8
171.11623	0.5
171.90147	0.5
179.08545	0.5
183.07994	0.6
197.13272	0.7
199.07571	0.8
199.14828	0.5
209.09552	0.6
227.12842	0.8
275.19992	3.9
289.34015	0.5
291.19455	0.7
293.20999	0.6
311.16519	0.7
395.12155	0.5
395.43228	0.5
396.13217	0.8
406.11191	0.5
407.11423	1.2
408.12143	1.2
409.13239	1.3
410.14581	1.9
411.15350	0.7
414.14468	1.5
421.13034	3.7
422.13809	8.3
423.14575	5.5
424.15430	2.7
425.16656	0.7
428.15869	1.5
429.16730	1.4
435.14603	5.8
436.10065	0.7
436.15369	9.7
437.16376	11.4
438.16840	1.8
439.17868	0.8
440.14740	1.1
441.15665	2.0
447.14447	0.6
449.16586	3.3
450.17435	3.8
451.18634	5.7
452.18506	2.0
453.15265	0.6
454.12119	0.6
455.17261	1.0
457.16440	0.8
461.15833	0.5
463.14288	2.1
464.14395	4.7
465.15448	5.8
465.20139	2.3
466.16269	2.0
467.16910	1.7
468.14337	0.8
469.14697	3.1
470.16440	0.6
477.15445	2.1
478.16507	3.8
479.17365	6.2
480.18094	4.2
481.15048	1.5
482.15903	1.6
483.16589	1.4
484.17743	0.9
491.12769	0.8
492.18182	1.4
493.19235	9.5
494.14594	0.9
494.19455	2.2
495.16446	7.2
496.17429	1.7
498.15201	3.9
505.15164	0.7
506.15906	2.5
507.16913	2.6
508.17444	12.3
509.18298	8.1
510.15622	2.1
511.16583	0.6
512.16919	9.1
513.17725	0.7
521.18219	16.2
522.18616	5.4
523.18982	0.8
524.17206	1.1
525.20752	1.0
526.14752	3.5
530.17981	0.6
536.19525	0.7
537.17542	1.4
538.18359	0.9
539.18854	2.2
543.36676	1.7
549.18097	2.1
553.20807	5.8
567.21722	0.5
581.20258	77.4
582.20380	3.6
586.33722	0.5
599.21326	19.8
609.19568	2.3
622.23083	7.2
623.23126	1.0
623.42664	2.1
640.43127	1.1
641.22296	100.0
642.22864	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	641.2962
Annotation	Crooksiine
Peak:m/z	Relative Intensity
53.03933	0.7
55.01869	1.9
55.05262	0.5
55.05507	4.8
57.03431	0.8
65.03928	0.5
67.05497	7.4
69.03423	0.6
69.07059	2.9
71.04981	0.6
71.08615	0.5
71.71893	0.4
77.03937	0.3
79.05482	7.1
81.03406	1.0
81.07047	7.0
83.04973	1.0
83.08608	1.7
85.06524	0.5
88.47201	0.3
91.05473	5.5
93.07033	5.6
93.07590	0.5
93.26360	0.3
95.04955	1.6
95.08588	4.0
97.06516	2.5
97.10171	1.7
105.07020	6.3
107.04971	1.9
107.08583	6.5
109.06519	1.2
109.10148	2.4
111.08073	0.7
113.05938	0.3
114.34468	0.3
115.05430	0.4
117.07013	2.0
119.08571	4.1
121.06493	0.6
121.10132	2.1
123.08105	0.5
123.11697	0.9
125.09597	1.7
128.06171	0.4
129.06999	0.9
131.08533	3.1
133.06538	0.4
133.10097	3.8
135.08081	1.0
135.11644	0.7
141.07018	0.5
142.07841	0.4
143.08542	1.4
145.10120	2.7
147.08041	0.4
147.11662	2.5
149.09595	2.3
149.13249	0.6
153.09076	0.6
155.08528	0.6
157.10091	1.7
159.11731	1.7
161.13266	0.9
163.11224	0.9
168.00499	0.3
169.10133	0.8
171.10335	0.3
171.11717	1.2
173.11906	0.5
173.13306	1.3
177.12708	0.4
179.14336	1.0
181.10127	0.6
183.11696	0.9
185.13367	0.5
189.11203	0.8
195.11682	0.4
197.13251	0.6
199.14853	0.4
201.16389	0.4
211.14937	0.4
212.03944	0.3
213.16483	0.7
227.12735	2.3
229.19647	0.4
239.18053	0.4
257.19101	1.2
273.18457	0.6
275.20035	9.2
277.21680	0.7
291.19791	0.5
293.21085	0.5
349.23740	3.9
376.16669	0.4
377.17731	0.8
378.18680	0.6
379.19211	1.4
381.28012	0.5
391.19263	1.2
392.20215	0.7
393.21094	1.7
394.21524	0.4
403.19482	0.4
405.16666	2.6
405.21564	0.6
406.17413	1.7
407.18359	1.0
407.22812	4.2
408.23517	0.5
418.17517	0.6
419.18329	3.3
420.18967	2.0
421.20221	4.5
422.21054	0.6
423.21768	1.2
433.20255	4.7
434.21365	3.9
435.22003	7.5
436.22473	1.3
437.23526	0.5
447.22180	1.8
448.23291	0.6
449.19592	8.5
451.21619	0.4
463.20877	3.0
464.22198	2.0
465.18521	0.5
467.24506	0.6
468.25705	0.5
477.22705	0.9
479.20883	1.1
480.21844	0.8
481.21985	2.2
489.22885	0.7
493.21756	3.0
494.22937	4.0
495.23685	2.8
507.24295	2.2
509.25800	0.5
521.25641	10.2
522.26477	0.4
523.26953	0.9
526.25098	0.4
529.35388	0.4
535.23322	0.7
539.22180	1.4
543.36652	2.1
549.24890	0.7
550.25818	0.7
551.26532	0.4
553.26489	0.5
563.26257	1.1
567.25537	0.5
581.27600	20.2
582.27881	0.8
595.26135	0.4
605.42334	0.5
609.27234	0.5
613.30499	0.4
623.42981	3.9
641.29620	100.0
642.29865	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	641.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51952	0.6
51.11808	0.6
53.03925	1.0
55.01855	2.8
55.05505	7.6
57.03424	2.0
57.07058	1.3
65.03950	0.8
66.44530	0.7
67.05494	12.1
69.03416	1.3
69.07054	7.3
70.07071	1.2
70.07468	2.3
71.04974	1.4
79.05482	10.7
81.03414	0.8
81.07042	12.7
81.07484	1.2
83.04971	2.3
83.08621	3.7
91.05472	10.4
91.46088	0.7
93.07032	10.1
95.04955	3.0
95.08595	9.2
97.06532	5.2
97.10143	3.5
105.07010	10.8
106.87134	0.8
107.04952	3.8
107.08572	8.0
109.06511	1.7
109.10140	4.4
111.08069	1.3
117.07028	4.5
119.08570	8.2
121.06459	1.0
121.10133	4.3
123.08074	1.4
123.11676	1.4
125.09568	3.5
128.06216	0.8
129.07033	2.4
131.08553	6.0
133.06445	1.2
133.10120	6.2
135.08090	1.1
135.11697	3.2
137.09589	0.7
141.06992	1.0
143.08505	3.5
145.10118	4.8
147.08031	0.7
147.11661	5.0
149.09637	2.2
149.13321	1.4
151.11177	1.0
155.08536	1.7
157.10159	3.7
159.11699	2.9
161.09688	0.9
161.13210	2.4
163.11182	1.7
169.10081	1.9
171.11731	1.3
173.13248	1.6
177.12758	1.1
181.10083	1.2
183.11690	2.5
184.07312	0.8
185.13301	1.2
187.11023	0.7
189.11240	1.0
197.13278	1.7
199.14735	0.8
203.22151	0.8
207.11667	0.8
213.12621	0.8
225.16478	0.7
227.12764	2.0
239.17924	1.0
241.19455	1.9
245.13858	0.8
257.18991	1.4
259.20612	3.5
273.18524	1.6
275.20044	9.4
277.21759	0.8
289.18146	1.3
291.19565	4.8
304.14438	0.9
313.15808	0.8
333.24283	2.9
335.25687	0.8
349.23712	3.2
350.16357	0.7
365.23358	2.8
377.17334	1.1
379.30219	1.0
381.28015	0.9
389.17941	1.9
392.19803	1.5
401.17422	1.4
402.18439	1.7
403.19180	2.0
404.20126	1.6
405.21008	0.9
406.21466	1.1
407.22217	2.0
408.22873	1.1
414.18622	0.8
415.19153	2.6
416.19931	3.7
417.20844	4.3
418.21698	2.0
419.22458	1.4
421.24332	1.0
429.21143	4.0
430.21545	2.7
431.22873	4.6
433.24271	5.5
435.21881	1.7
443.22607	1.2
444.23807	3.5
445.24786	5.1
446.24628	1.8
447.25931	1.7
449.23782	1.7
457.19604	1.0
458.25232	1.2
459.20969	3.3
460.22614	3.2
461.19360	1.4
462.20224	4.0
463.21249	4.4
471.21570	0.8
472.22556	2.2
473.23532	4.0
474.23663	2.7
475.21024	5.2
476.21741	2.4
477.22800	17.4
485.23248	1.0
487.24796	6.5
489.22879	2.1
491.24283	5.9
503.24527	2.0
504.24915	1.5
505.25900	2.7
506.26880	2.1
515.24408	1.5
518.23230	1.6
519.27539	3.3
523.27069	1.7
531.23938	1.0
531.37976	1.5
532.24652	1.6
534.23273	1.1
535.23547	3.2
543.36835	2.4
545.25409	10.2
546.25415	1.7
547.27069	19.6
548.26477	1.3
549.24860	14.1
550.25592	18.9
551.25824	1.0
563.26202	3.4
564.27020	3.3
566.24109	0.8
577.28247	1.6
579.29681	11.1
591.25989	16.8
605.27515	22.6
605.41858	1.7
606.26843	0.9
623.28564	100.0
623.42749	8.9
624.29016	4.7
641.28949	1.0
641.44867	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	641.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29185	1.8
53.03933	2.4
55.01861	6.1
55.05511	10.5
57.03418	3.1
57.07050	2.9
61.02911	2.9
66.70125	1.4
67.05492	46.8
68.05819	1.9
69.03422	9.6
69.07056	13.7
70.06583	3.4
70.64397	1.4
71.04980	62.6
71.71075	2.8
73.02894	2.5
79.05480	33.2
81.03401	8.9
81.07043	68.9
83.04986	2.5
83.08604	8.4
85.02893	32.1
85.06535	9.8
86.09679	1.8
87.04485	2.0
89.03882	1.8
90.23637	1.8
91.05458	19.1
93.07027	41.4
95.04962	3.9
95.08589	51.2
97.02876	12.8
97.06517	21.7
97.10159	5.0
99.04431	2.3
99.08099	2.9
105.07024	12.6
107.04925	2.0
107.08580	28.4
109.02863	7.5
109.10131	24.6
111.08051	7.1
113.09620	8.1
117.06998	2.0
119.04871	2.5
119.08562	11.2
121.02835	3.0
121.10126	57.4
123.04428	1.9
123.08055	2.1
123.11698	17.3
125.09602	1.9
127.03908	10.2
129.09099	6.8
131.04886	3.4
131.08574	2.4
133.10118	12.4
134.05959	2.5
135.04430	4.5
135.08063	1.8
135.11674	29.7
136.07521	2.6
137.05956	5.9
137.09644	1.9
137.13239	2.5
137.93410	1.6
139.11136	4.3
143.08514	1.8
145.02849	4.1
145.04939	4.9
147.04402	13.9
147.11667	5.9
149.09583	3.5
149.13248	11.6
151.03883	3.4
151.07503	2.6
151.14888	3.1
152.07063	4.1
161.13258	6.2
163.03870	19.1
163.07478	2.4
163.14828	7.4
164.04265	2.3
167.07066	2.4
175.14775	5.1
177.05440	4.8
177.16466	2.4
189.16315	2.5
213.18533	3.1
241.08945	1.8
245.22539	8.0
263.23648	37.5
281.24713	100.0
282.25116	4.1
287.05478	1.9
299.25790	34.1
317.26819	35.9
317.30347	3.1
427.30606	1.7
519.81219	1.8
605.97516	1.8
643.27478	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29185	1.8
53.03933	2.4
55.01861	6.1
55.05511	10.5
57.03418	3.1
57.07050	2.9
61.02911	2.9
66.70125	1.4
67.05492	46.8
68.05819	1.9
69.03422	9.6
69.07056	13.7
70.06583	3.4
70.64397	1.4
71.04980	62.6
71.71075	2.8
73.02894	2.5
79.05480	33.2
81.03401	8.9
81.07043	68.9
83.04986	2.5
83.08604	8.4
85.02893	32.1
85.06535	9.8
86.09679	1.8
87.04485	2.0
89.03882	1.8
90.23637	1.8
91.05458	19.1
93.07027	41.4
95.04962	3.9
95.08589	51.2
97.02876	12.8
97.06517	21.7
97.10159	5.0
99.04431	2.3
99.08099	2.9
105.07024	12.6
107.04925	2.0
107.08580	28.4
109.02863	7.5
109.10131	24.6
111.08051	7.1
113.09620	8.1
117.06998	2.0
119.04871	2.5
119.08562	11.2
121.02835	3.0
121.10126	57.4
123.04428	1.9
123.08055	2.1
123.11698	17.3
125.09602	1.9
127.03908	10.2
129.09099	6.8
131.04886	3.4
131.08574	2.4
133.10118	12.4
134.05959	2.5
135.04430	4.5
135.08063	1.8
135.11674	29.7
136.07521	2.6
137.05956	5.9
137.09644	1.9
137.13239	2.5
137.93410	1.6
139.11136	4.3
143.08514	1.8
145.02849	4.1
145.04939	4.9
147.04402	13.9
147.11667	5.9
149.09583	3.5
149.13248	11.6
151.03883	3.4
151.07503	2.6
151.14888	3.1
152.07063	4.1
161.13258	6.2
163.03870	19.1
163.07478	2.4
163.14828	7.4
164.04265	2.3
167.07066	2.4
175.14775	5.1
177.05440	4.8
177.16466	2.4
189.16315	2.5
213.18533	3.1
241.08945	1.8
245.22539	8.0
263.23648	37.5
281.24713	100.0
282.25116	4.1
287.05478	1.9
299.25790	34.1
317.26819	35.9
317.30347	3.1
427.30606	1.7
519.81219	1.8
605.97516	1.8
643.27478	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.44
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.9
53.03942	4.4
55.01865	9.0
55.05500	16.1
57.03161	1.7
57.03429	26.2
57.07063	4.7
61.06803	0.9
65.03931	4.9
67.05493	58.6
68.05835	1.1
69.03395	2.2
69.07059	15.2
69.84200	5.6
71.04979	4.9
77.03898	1.0
79.05481	36.8
81.03402	4.9
81.07043	43.6
83.04958	5.3
83.08607	8.1
85.06531	25.0
91.05463	40.1
92.95946	0.8
93.07027	36.4
95.01309	2.2
95.04957	42.5
95.08586	29.1
95.09195	1.2
97.06520	10.8
97.10152	4.6
99.08077	3.1
105.04535	1.0
105.07014	39.1
107.04935	10.8
107.08580	20.8
109.06497	25.5
109.07092	0.5
109.10133	8.9
111.08038	3.2
113.05988	100.0
114.06313	1.9
115.05445	2.7
116.06231	0.9
117.07001	18.9
119.04878	1.1
119.08558	25.1
121.06492	3.8
121.10117	10.6
123.08046	5.9
123.11685	3.3
125.09602	4.4
128.06216	2.8
129.05452	1.2
129.06976	12.6
130.07756	1.9
131.08548	27.6
133.06459	2.7
133.10112	16.9
135.08026	16.0
135.11652	8.7
137.05937	1.3
137.09592	2.5
137.13277	0.9
141.06917	4.7
141.09068	2.6
142.07732	2.7
143.08537	12.6
144.09343	1.4
145.06429	2.3
145.08969	1.2
145.10104	20.2
147.07988	3.6
147.11659	12.5
149.09589	6.3
149.13203	4.2
151.11172	3.0
153.07022	1.1
154.07797	0.8
155.08540	7.4
156.09299	1.0
157.10094	12.2
159.08025	3.0
159.11668	15.8
161.09630	5.1
161.13231	8.5
163.11157	4.9
163.14830	1.1
165.06894	1.0
165.09108	1.1
165.12749	1.9
166.07826	0.9
167.08559	2.7
168.09274	1.3
169.10127	7.0
169.23615	0.8
171.11673	10.2
173.09608	1.7
173.13225	8.4
175.11177	2.2
175.14778	4.1
177.09073	0.9
177.12688	2.8
179.14252	1.9
181.10104	3.7
182.10876	1.1
183.08051	1.2
183.11641	5.4
185.09619	1.5
185.13205	7.4
187.11160	5.4
187.14790	4.3
189.12723	2.0
191.08612	1.0
191.14235	0.9
193.10161	1.5
195.11671	5.1
195.13643	1.1
197.09438	0.9
197.13203	4.8
199.07495	2.1
199.11264	1.4
199.14789	4.5
201.12660	1.4
201.16306	2.0
205.10165	1.4
205.12061	1.3
207.11630	2.0
209.13199	3.3
211.11064	1.1
211.14833	4.0
213.12773	1.5
213.16336	2.3
215.14262	1.4
215.17848	1.0
217.15802	4.9
219.11699	1.3
219.17567	1.0
221.13214	2.1
222.39407	0.9
223.14796	2.3
225.16402	1.2
227.12672	0.9
227.17960	1.4
229.19539	1.0
231.21031	1.3
233.13144	1.2
233.15372	1.0
235.14870	1.0
237.16409	2.3
239.17914	1.6
241.14255	1.3
241.19475	6.7
245.18866	0.9
255.17471	1.8
255.84747	0.9
257.18872	4.0
259.20554	8.3
273.18478	11.4
275.20056	10.4
276.20135	1.2
279.15778	6.7
291.19492	27.9
292.19736	0.9
293.21143	1.7
303.20773	0.8
311.16284	2.6
311.23642	1.0
313.21487	1.4
315.23233	1.4
327.26797	2.1
329.17468	1.2
333.24234	11.7
347.22113	2.5
349.23669	5.8
365.23163	6.5
367.19006	1.3
405.27881	1.1
419.33380	1.0
421.30588	0.9
437.34137	2.0
511.37537	2.6
513.36389	5.0
527.36804	1.0
529.38611	3.8
531.38428	5.6
543.36578	3.2
549.39154	2.4
551.37024	1.7
565.39313	1.1
567.40265	2.4
569.38690	2.6
581.20288	1.1
605.41321	4.4
609.23053	2.1
623.42963	32.3
624.42889	2.2
641.44049	18.6
642.44275	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.4
53.00317	1.4
53.03936	4.7
55.01867	27.9
55.05505	42.4
57.03430	8.0
57.07060	3.3
59.04992	2.4
65.03929	5.2
67.05495	75.9
68.05830	1.5
69.03419	3.6
69.07059	42.1
71.04987	7.5
71.08596	1.5
71.70804	1.9
75.18938	1.0
79.05483	73.3
80.78557	1.1
81.03421	5.3
81.07044	77.7
82.07382	1.3
83.04969	11.5
83.08607	20.9
85.06532	4.1
91.05466	64.9
92.05766	1.3
93.07032	59.1
94.07353	1.1
95.01331	2.7
95.04956	17.4
95.08595	48.1
97.02837	1.1
97.06519	37.8
97.10149	17.1
97.10725	1.6
98.14666	1.3
98.98463	1.1
99.08066	2.8
101.05993	1.2
103.05435	2.2
105.07015	63.6
106.07292	1.7
107.04936	22.3
107.08581	58.2
108.08899	1.3
109.06512	12.1
109.10146	30.4
109.85332	1.2
111.04450	1.5
111.08064	6.9
113.05956	1.6
115.05433	3.6
117.07013	25.1
119.08562	47.2
120.08916	1.4
121.06495	7.1
121.10133	24.5
123.08061	7.6
123.11701	9.4
125.09616	17.0
128.06230	4.4
129.06995	12.5
130.07655	1.7
131.08551	33.7
133.01590	1.2
133.06505	2.7
133.10110	38.9
134.10493	1.5
135.08049	7.7
135.11671	14.0
137.09596	8.3
137.13239	1.3
139.07466	1.3
139.11116	2.0
141.06999	5.3
142.07791	2.8
143.08537	15.3
144.09319	1.6
145.06474	2.9
145.10107	31.7
147.08054	3.7
147.11668	27.0
149.09595	26.9
149.13214	7.0
151.11176	4.9
153.06984	1.3
153.09094	2.9
153.12782	1.5
155.08513	7.4
157.10115	16.1
159.08040	2.7
159.11673	24.7
161.09604	4.7
161.13246	10.5
163.07527	1.1
163.11151	14.2
163.14806	2.9
165.09073	2.6
165.12769	3.9
167.08559	3.5
169.10043	9.1
171.10229	1.5
171.11670	12.6
173.09625	2.4
173.11783	1.8
173.13190	12.0
175.11150	4.3
175.14873	3.3
177.12704	7.3
179.14288	5.6
181.10161	4.6
181.12088	1.3
183.11644	8.3
185.09682	1.4
185.13242	7.2
187.11211	4.4
187.13313	1.7
187.14836	6.4
189.11212	7.9
189.12675	2.1
189.16426	1.4
191.14336	1.9
193.10165	2.2
195.11728	4.6
195.13681	1.1
197.13210	6.2
199.14856	4.7
201.12634	1.6
201.16339	2.0
203.14230	1.1
205.12286	1.8
207.11659	1.8
209.13219	3.4
211.14819	5.2
213.16356	8.2
215.17870	1.7
217.15799	2.3
219.11673	1.8
221.13245	2.7
221.15254	1.9
223.14832	3.1
225.16440	3.1
227.12759	17.0
227.17889	2.3
229.19397	7.0
231.17499	1.1
233.15295	1.7
235.14911	1.2
239.17950	6.1
241.19473	1.3
243.15826	1.5
245.18954	2.1
247.20554	4.1
251.17979	1.6
257.18979	14.7
259.20648	3.0
273.18478	4.1
275.20032	100.0
276.20389	3.4
277.15524	1.3
277.21750	1.7
291.19501	2.5
293.20990	7.1
299.23694	2.2
313.21533	2.2
331.22754	4.0
332.05573	1.2
346.48929	1.3
347.21896	2.0
349.23697	43.2
350.24307	2.0
351.24677	1.1
363.26669	1.3
367.24756	1.6
381.27841	3.8
395.29538	1.8
405.16858	1.2
407.22632	1.1
433.19937	2.0
434.20837	2.9
435.21649	1.6
445.29663	1.9
462.20932	1.4
469.33459	1.4
499.33026	1.2
504.21188	1.5
507.23941	6.0
508.24277	1.4
511.33734	2.1
513.37262	2.4
519.33392	1.6
525.35541	4.5
527.37018	2.3
529.37036	2.2
531.38342	3.5
535.23486	6.3
536.23444	1.3
539.37500	1.8
543.36731	17.1
544.36621	3.6
549.39288	1.8
567.25946	2.3
567.39899	1.8
581.19489	2.5
581.27289	3.6
595.25354	6.4
596.25525	1.7
605.41858	4.0
623.33752	2.6
623.42987	32.5
624.42871	2.5
641.29340	50.5
641.43890	26.4
642.30109	9.7
642.44763	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.44
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.7
55.01866	16.8
55.05502	71.7
57.03427	12.0
57.07061	6.5
65.03922	4.0
67.05143	5.0
67.05496	100.0
69.03417	9.7
69.06683	3.2
69.07055	50.7
69.70698	6.4
69.71105	8.4
71.04980	11.4
71.08636	3.0
79.05019	4.5
79.05481	85.4
81.03398	7.7
81.07044	97.9
83.04979	11.5
83.08607	32.4
85.06510	6.5
87.04446	2.7
91.05460	76.7
93.06436	4.4
93.07030	86.7
95.04960	22.7
95.08002	3.7
95.08588	59.0
97.02874	6.4
97.06503	19.1
97.09579	3.9
97.10155	47.9
98.20647	4.3
99.08093	3.8
103.05476	2.9
105.07012	77.0
107.04945	12.2
107.07907	3.9
107.08580	49.5
109.06505	12.6
109.10137	34.5
111.08051	8.3
113.09674	2.7
115.05411	6.1
117.07005	38.8
118.56242	1.9
119.07733	3.5
119.08565	63.0
121.06464	7.5
121.10117	32.2
123.08047	8.8
123.11700	11.1
125.09608	39.2
128.06204	7.5
129.06976	24.6
130.07761	4.2
131.08549	57.2
131.09581	3.0
133.06473	4.6
133.10114	49.5
135.08061	12.9
135.11668	18.2
137.09602	7.9
139.11221	2.0
141.06992	9.9
142.07796	5.3
143.08540	25.2
145.06476	4.9
145.10097	37.8
147.08009	9.5
147.11661	43.2
149.09605	8.9
149.13217	11.1
151.03700	1.9
151.11108	3.2
153.06949	4.1
153.09094	4.6
154.07692	3.7
155.08507	15.7
156.09320	3.3
157.10112	29.7
159.08002	4.6
159.11664	30.3
161.09566	7.4
161.13229	28.2
163.11157	8.8
163.14784	5.0
165.09113	2.4
167.08548	7.9
168.09259	4.0
169.10106	19.2
169.12279	2.5
171.11642	26.2
173.09592	4.6
173.11839	3.3
173.13251	19.4
175.11122	6.5
175.14781	11.6
177.12706	4.2
177.88170	2.2
179.08508	4.8
179.14255	3.0
181.10127	10.8
182.10950	3.7
183.11655	14.6
185.13202	19.8
187.13246	2.8
187.14731	9.6
189.11188	16.6
189.12700	3.5
193.10150	4.4
195.11600	7.4
196.12347	2.6
197.13220	11.5
199.11229	2.2
199.14781	11.7
201.12724	3.5
201.16354	5.8
205.12186	4.3
207.11700	5.2
209.13280	13.6
211.11194	2.1
211.14799	9.7
213.16341	6.0
215.17908	2.7
217.19519	2.4
221.13202	6.4
223.13116	15.9
223.15025	2.3
225.16383	5.9
227.12709	26.7
227.17886	3.4
231.21045	6.3
233.15314	2.5
235.14859	2.5
237.16406	5.6
239.17963	4.3
241.19466	29.1
243.20990	2.3
245.13550	3.0
245.19106	2.2
247.14940	3.3
251.17882	5.0
257.18930	10.1
259.20532	51.1
267.20807	3.1
269.18997	4.6
273.18372	12.3
275.20059	22.2
277.21695	4.9
279.20929	2.5
283.20200	2.9
285.21973	6.4
289.18137	2.8
289.21613	2.4
291.19495	95.0
292.19879	3.5
297.22076	2.9
299.23453	3.6
315.23129	6.6
323.23587	2.6
333.24225	32.0
334.87411	2.9
335.25845	2.6
349.23611	9.1
351.25739	2.5
363.26740	6.4
365.23184	27.3
379.29810	9.1
381.27844	6.3
397.30945	5.6
403.19540	2.5
419.29282	2.8
437.30429	3.6
469.33707	2.1
477.22577	6.6
511.33957	7.6
513.36279	6.2
523.33630	2.4
529.35022	10.8
531.37970	8.1
543.36316	8.2
545.25208	3.2
547.26904	4.9
549.24829	6.0
549.39105	5.8
550.25476	4.7
563.25946	3.2
567.40582	4.9
579.29034	2.6
587.41180	2.3
591.25500	5.2
605.27728	5.7
605.41919	19.7
623.28278	30.9
623.42719	97.4
624.28485	3.5
624.42969	8.4
641.34985	2.3
641.44214	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	641.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.1
55.01863	14.1
55.05505	44.8
57.03436	15.0
57.07061	5.3
65.03930	5.2
67.05496	91.1
68.05817	2.1
68.41168	1.6
68.99783	5.4
69.03429	4.5
69.07058	41.4
71.04972	9.5
79.05481	68.5
81.03414	7.7
81.07045	100.0
83.04983	10.6
83.08605	22.3
85.02921	3.7
85.06533	6.4
85.10162	1.8
86.09708	2.6
91.05467	80.3
93.07033	74.3
95.04958	21.5
95.08592	63.4
97.06520	15.0
97.10154	9.0
99.08071	6.0
100.11244	7.7
101.11591	2.4
103.05408	1.8
105.07014	76.9
107.04939	10.8
107.08578	52.0
109.06506	12.5
109.10145	38.0
111.04460	2.8
111.08065	12.0
113.06017	3.8
115.05464	5.4
116.06236	2.3
117.07001	29.4
119.08562	54.1
121.06517	10.2
121.10115	29.3
123.04420	2.1
123.08057	11.3
123.11668	11.0
125.05948	3.7
125.09612	6.8
128.06216	8.7
129.05440	2.2
129.06979	27.3
130.07779	2.6
131.08565	47.4
133.06467	6.2
133.10117	61.1
135.08025	8.2
135.11673	20.0
137.06000	2.7
137.09639	7.0
139.07536	9.1
141.06979	7.0
142.07790	5.7
143.08539	32.8
144.09209	2.7
145.06467	5.2
145.10098	43.0
147.08029	7.8
147.11659	32.2
149.09622	8.8
149.13239	10.7
151.03893	1.8
151.11162	15.9
153.07001	2.2
154.07724	1.9
155.08533	15.9
156.09344	3.5
157.10114	29.5
159.08037	6.8
159.11678	34.7
161.09596	8.8
161.13252	22.4
162.68376	1.8
163.07639	2.4
163.11131	6.0
163.14804	3.0
165.07016	2.3
165.12781	2.7
167.08548	6.7
169.10124	19.3
169.12193	4.1
171.08014	4.1
171.10275	1.9
171.11664	27.0
173.09639	3.6
173.13225	22.1
175.11151	5.4
175.14784	10.3
177.12683	3.4
179.08548	4.4
179.10704	2.7
181.08714	1.9
181.10091	9.3
183.08202	2.0
183.11655	14.4
185.09637	3.9
185.13248	22.2
187.11142	4.7
187.14790	10.4
189.12744	6.5
189.16425	2.6
191.10616	2.0
193.10146	4.3
195.11699	12.6
195.13773	4.8
197.13234	11.2
199.07448	2.1
199.11168	3.5
199.14734	10.7
201.12791	2.1
201.16342	4.1
203.14345	3.5
205.10098	2.9
207.11665	5.4
209.13289	11.8
211.11140	3.9
211.14810	7.0
213.12776	5.0
213.16470	6.8
215.14362	3.0
215.17921	3.0
217.15909	2.8
221.13435	3.5
223.14857	5.8
225.16374	4.4
226.18973	2.0
228.00186	1.9
229.19571	2.1
231.21027	2.4
233.13335	2.7
235.14864	2.0
237.12851	2.6
237.16412	5.1
239.17923	3.5
241.15948	2.2
241.19455	14.8
245.18983	4.3
249.16341	2.8
251.17886	3.5
253.14223	14.3
257.19009	5.8
259.20468	27.8
263.20062	4.6
265.19562	3.2
269.18710	2.4
273.18484	19.8
275.20178	9.9
277.21710	2.6
279.21112	2.3
283.20581	2.8
287.20078	5.4
289.17889	5.0
291.19543	20.8
297.22198	4.9
299.23572	2.3
313.21658	3.4
315.23087	6.4
325.21637	2.1
327.22974	3.8
333.24265	20.3
339.23160	2.4
347.21979	2.4
349.23770	2.5
353.28244	2.1
355.26181	2.2
363.21722	3.1
365.23151	17.1
371.28983	2.0
391.29770	3.4
395.29398	4.0
409.30847	16.4
421.30801	2.4
427.32010	5.5
433.30786	3.3
437.30493	2.9
451.32010	2.6
455.31537	3.4
465.33511	2.8
469.33185	5.0
483.34811	8.9
485.36874	2.6
487.34067	29.8
501.35757	34.0
501.78592	2.2
503.37787	7.2
511.33990	7.8
513.36566	8.5
525.35553	5.0
529.35089	10.6
531.38440	12.5
543.36731	13.5
549.39240	14.5
567.40143	6.4
571.26233	2.1
593.40869	3.0
595.43152	7.8
605.41736	18.0
613.44257	7.1
623.42932	71.5
624.43408	7.0
641.28607	2.5
641.32159	2.1
641.44092	42.4
642.44354	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	641.44
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.9
53.03941	3.7
55.01865	47.5
55.05504	14.0
57.03409	2.7
57.07057	1.4
62.85060	0.6
65.03918	2.3
67.05496	31.2
68.49919	0.7
69.03422	1.4
69.07057	22.9
69.44064	7.2
71.04975	1.9
71.08605	1.5
78.97942	0.7
79.05019	1.2
79.05482	29.3
81.03399	6.5
81.07044	39.2
83.04972	7.3
83.08604	5.7
85.06498	1.7
89.06013	1.8
91.05466	38.2
93.07030	26.3
95.01321	5.9
95.04960	9.7
95.08002	1.2
95.08591	21.3
97.06517	83.3
97.10164	2.4
98.06798	0.7
99.08092	1.4
103.05458	1.2
105.07013	49.0
106.07354	1.1
107.04942	17.7
107.07906	1.2
107.08571	13.0
109.06519	4.8
109.10145	6.7
111.08054	1.9
113.09613	1.1
115.05456	1.7
117.07001	12.0
119.08565	26.6
121.06497	4.5
121.10133	8.2
123.04393	1.8
123.08086	4.3
123.11694	1.8
125.09607	2.9
128.06149	0.7
129.06981	2.9
131.08546	14.0
132.07982	0.8
133.06458	1.6
133.10104	27.4
135.08034	4.2
135.11670	6.8
137.09572	4.0
139.07536	4.5
141.06956	1.9
143.08545	3.3
144.09309	1.0
145.06439	1.8
145.10086	10.9
147.08031	1.0
147.11664	11.4
149.09599	11.8
149.13249	3.4
151.11162	2.7
155.08557	2.0
157.10107	2.3
159.11667	8.5
161.09608	1.3
161.13185	5.1
163.11154	6.6
165.09076	3.2
165.12819	0.9
169.10091	2.8
171.11639	2.7
173.13214	4.6
175.11168	1.2
177.12653	3.3
179.14275	16.3
180.14552	0.9
183.11691	2.5
185.13174	1.3
187.11186	3.0
187.14711	0.7
189.12770	0.8
197.13298	2.0
197.67400	0.7
201.16351	0.8
202.97734	0.7
205.12102	1.0
213.16275	0.7
215.17911	2.0
219.13814	0.9
229.19435	2.3
233.15448	1.0
233.18898	0.9
239.18013	1.9
241.14331	1.5
247.20618	5.6
257.18961	7.7
273.18643	0.8
275.20029	100.0
276.20319	3.3
279.15869	1.4
289.17990	0.8
293.21103	7.1
349.23669	33.9
350.23889	1.9
486.01743	0.7
529.38647	1.3
543.36560	1.1
609.26404	1.4
623.43085	26.8
624.43335	1.7
641.28558	1.6
641.44086	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	642.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.3
55.05484	0.5
56.97766	0.3
57.03418	2.1
63.31396	0.3
67.05496	0.3
69.03415	1.8
69.03728	0.3
71.01370	0.3
71.04976	10.5
71.70159	0.3
71.70558	0.4
73.02905	0.4
75.04452	0.5
79.05505	0.4
81.03386	0.7
81.07022	0.5
83.04950	0.8
84.27522	0.3
85.02891	12.5
87.04457	0.6
89.03883	2.0
91.05457	0.4
93.07010	0.8
95.04986	0.4
95.08576	0.4
97.02871	3.9
99.04441	0.8
107.04930	1.2
109.02801	0.6
111.04420	0.8
112.52551	0.4
117.03352	3.2
119.04907	0.8
121.10093	0.5
127.03893	0.7
129.05443	3.4
131.26857	0.3
135.04398	8.4
136.04773	0.4
137.06021	0.7
145.02831	8.3
147.04399	1.8
147.06519	1.2
151.07501	0.4
163.03874	100.0
164.04211	1.7
164.09158	0.3
179.06949	0.5
181.04895	1.9
183.39723	0.3
184.07341	0.3
194.12383	0.3
257.56644	0.4
271.05994	0.5
273.07675	0.3
283.15314	0.5
291.08923	0.4
307.08231	0.5
309.09564	1.2
325.09122	15.6
347.33740	0.3
413.67606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05465	0.6
57.13570	0.4
67.05464	0.6
69.57825	3.7
78.67537	0.4
79.05415	0.4
81.06986	0.8
91.05458	0.5
93.06994	0.7
95.08548	0.6
97.79944	0.3
97.98904	0.3
105.07005	0.7
113.97112	0.4
117.06971	0.5
118.67657	0.3
119.08469	0.5
121.10139	0.3
131.08527	0.4
131.29132	0.3
250.74429	0.4
395.11777	0.5
396.12164	0.9
397.12769	2.4
398.13586	1.3
401.42795	0.4
409.13251	0.8
409.23578	0.4
410.13794	2.5
411.14459	6.5
412.15326	3.9
413.15991	2.1
423.14621	1.7
424.11057	1.2
424.16113	2.7
425.16214	12.7
426.16876	9.6
427.17490	2.2
428.18393	1.4
436.15683	0.5
437.16422	0.8
438.12149	3.3
439.13605	15.7
440.13727	1.4
440.19290	4.1
441.19244	35.1
442.19708	2.9
451.13403	0.6
452.14246	4.2
453.15274	17.7
454.15964	5.3
457.15128	0.8
463.14066	1.1
465.15826	0.7
466.12338	1.0
467.17093	22.1
468.17856	15.7
469.18741	12.3
470.19052	0.9
471.16495	1.1
472.17380	0.6
478.16306	0.5
480.17612	0.7
481.14648	13.7
482.15292	3.8
485.18161	0.7
495.16733	2.4
495.21378	0.5
496.17117	11.5
497.17816	3.0
498.18655	0.6
499.19662	1.2
508.18539	0.6
509.18085	2.7
512.20386	1.2
514.22314	3.1
523.19568	2.0
524.21063	0.5
527.23608	2.5
528.23853	0.5
537.19128	0.6
539.19116	0.6
540.19586	0.9
542.21619	0.7
546.24103	0.5
555.22357	35.0
556.22791	2.7
568.19263	0.9
583.21838	100.0
584.22211	7.8
586.19537	0.7
587.24841	2.5
611.21399	1.9
614.23444	0.6
615.24426	13.7
616.24756	1.4
643.23859	58.8
644.24139	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	643.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.6
65.03931	1.5
67.05498	6.5
69.03418	2.2
69.07047	1.2
69.70915	7.5
70.06557	1.4
71.04970	1.9
79.05481	4.6
80.04991	2.2
81.03391	3.4
81.05802	1.3
81.07039	3.9
82.06555	1.6
83.04939	1.2
83.08593	1.2
85.02898	1.5
85.06512	2.4
90.59134	1.2
91.05455	4.7
93.05727	1.6
93.07037	6.2
94.06544	5.9
94.20686	1.0
95.04939	2.9
95.07316	2.0
95.08595	3.2
96.08120	9.2
97.06505	2.0
97.21808	1.0
103.05447	1.8
105.06987	2.0
106.06520	2.0
107.04955	1.3
107.08552	2.4
108.04446	3.8
108.08111	10.5
109.02883	1.1
109.06496	1.1
109.10160	2.1
110.09670	9.5
116.04964	2.7
117.06956	1.7
118.06506	1.7
119.08533	2.6
120.04453	5.0
120.08078	9.5
121.10144	1.3
122.06002	4.8
124.07596	9.4
131.08508	1.9
134.05995	4.0
135.08038	1.0
136.07547	11.0
138.09126	12.4
140.70024	1.0
144.04428	5.7
144.08031	1.1
146.05981	6.0
147.11687	1.4
148.07520	4.3
151.07484	1.4
152.07042	1.8
157.09927	1.0
160.03888	2.6
162.05479	4.7
162.09132	2.0
163.03880	4.1
164.07053	2.4
166.08621	14.4
167.07152	1.2
172.03906	25.4
172.07556	1.5
176.06996	3.7
182.09676	1.4
184.09959	1.1
190.04959	18.1
197.10684	3.6
199.12349	2.6
204.04601	2.3
204.06534	43.7
211.08658	2.6
211.73741	1.3
212.09398	3.1
224.09401	1.5
225.10188	11.7
226.10858	1.5
227.11757	15.6
236.09412	3.1
237.10257	5.1
238.10928	3.4
239.11749	4.6
241.09755	2.3
241.13281	1.6
249.10220	2.2
250.11003	1.5
251.11768	4.5
252.08908	1.7
253.09668	8.5
253.13434	1.3
255.11261	2.3
263.08157	1.5
264.08905	3.2
265.09796	2.7
265.84415	1.0
267.11282	3.7
269.12811	20.5
271.06061	5.7
271.10699	10.4
273.12396	7.3
277.09824	2.7
279.11224	4.3
283.10712	7.0
284.11362	6.2
285.12231	6.1
286.13202	2.4
287.13852	18.2
294.10010	1.4
295.10715	1.8
297.12280	10.5
299.13968	6.4
312.14917	1.8
313.12283	1.9
314.12756	4.0
315.13644	2.1
316.14355	2.4
323.10181	8.7
325.11765	26.2
326.16479	2.0
327.13467	4.0
327.17212	1.5
328.10709	4.0
328.14386	2.7
329.11481	1.3
330.12198	1.3
330.15854	3.0
331.16638	1.8
331.52304	1.1
339.13416	2.5
341.11768	3.7
342.12344	7.7
342.15860	1.7
343.12970	11.4
343.16794	2.0
352.14188	1.3
354.12253	1.2
354.16205	1.6
355.13104	1.9
356.13907	6.7
357.14499	9.6
358.15225	5.4
365.11224	1.7
370.11420	1.5
370.15469	4.6
378.17953	1.7
380.13501	1.1
382.11636	5.1
383.12546	3.5
384.13019	5.4
385.14264	2.4
386.14767	3.3
386.18948	2.2
388.16409	2.0
390.18042	4.0
398.14948	22.1
399.15710	30.6
400.16489	2.3
401.13693	2.3
402.18097	1.8
404.15662	5.2
406.48407	1.3
412.16345	2.5
414.18066	6.3
416.15976	21.6
417.16327	1.2
422.16794	2.4
428.15836	2.8
430.17676	2.2
440.15970	7.8
446.11685	1.0
446.17059	22.1
458.17053	46.1
478.19464	2.4
490.19525	10.0
565.24255	2.7
567.25812	4.9
569.23865	11.0
576.32776	1.1
583.25446	3.9
593.23865	11.2
611.24927	100.0
612.24896	3.1
643.27112	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	643.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01573	1.1
53.03932	4.2
54.98522	1.3
55.01867	6.4
55.05506	29.2
57.03432	10.6
57.07060	3.7
59.04965	1.3
62.00092	1.1
65.03926	4.8
67.05497	73.2
69.03423	3.1
69.07062	31.0
69.48811	5.2
69.49229	6.5
71.04980	5.0
79.05482	60.8
81.03413	1.7
81.07045	100.0
83.04974	5.5
83.08608	16.1
84.28069	1.1
85.06531	6.3
91.05469	68.7
93.07032	59.0
95.04958	12.2
95.08595	49.1
97.06535	8.5
97.10162	5.8
99.08083	3.6
103.05453	2.6
105.07017	69.9
106.07361	1.6
107.04957	7.6
107.08578	39.9
109.06511	13.0
109.10149	23.0
111.08073	5.6
114.30444	1.4
115.05441	2.1
117.06989	18.6
119.08563	61.1
120.08887	2.2
121.06503	4.4
121.10131	27.7
123.08046	7.4
123.11684	12.5
123.13425	1.2
125.09637	3.6
127.07588	1.3
128.06213	2.5
129.06992	12.7
130.07809	2.0
131.08549	34.6
131.09547	1.6
133.06494	1.9
133.10114	45.1
134.10376	1.5
135.08049	7.2
135.11665	16.6
137.09605	5.8
139.11182	1.7
141.06947	2.3
142.07732	1.8
143.08546	11.3
145.10112	27.7
147.08035	3.4
147.11667	37.2
149.09608	7.3
149.13235	10.2
151.11185	2.9
155.08546	4.5
156.09341	1.7
157.10106	15.7
159.11670	22.5
161.09625	2.5
161.13239	27.1
163.11186	8.8
163.14822	4.9
165.12756	7.5
167.08542	1.8
169.10085	6.1
171.11674	12.5
173.09709	2.0
173.11815	2.2
173.13239	17.4
175.11166	3.4
175.14798	11.8
177.12759	3.5
181.10054	3.0
183.11673	7.2
184.68137	1.2
185.13211	9.8
187.11240	1.8
187.13286	1.3
187.14799	5.2
189.11244	1.6
189.12753	3.2
189.16425	2.5
191.14328	2.6
193.12308	2.3
195.11737	2.4
195.13857	1.5
197.13274	4.1
199.14796	7.1
201.12836	1.4
201.16396	3.3
203.14247	1.6
209.13249	1.6
211.14828	2.6
213.16368	4.2
215.17975	3.0
217.15871	2.5
219.17310	1.5
229.19537	4.7
231.21057	4.3
235.14839	1.3
237.16460	1.8
239.17976	4.1
241.19473	27.4
243.20943	1.8
247.20558	3.1
257.18936	9.2
259.20569	49.1
273.18460	4.9
275.20044	52.8
277.21579	3.5
291.19589	1.8
293.20963	8.9
297.22244	1.8
315.23224	6.9
333.24210	46.1
334.24472	1.9
335.25748	4.5
349.23645	10.7
351.25287	2.6
364.22958	1.3
365.23199	2.1
367.24789	26.2
471.35077	1.4
480.40445	1.3
483.80923	1.3
501.36118	1.8
513.35767	1.7
515.37549	5.2
527.37524	3.8
533.39636	5.3
545.38159	2.7
551.40881	5.8
559.57861	1.4
607.43378	11.8
625.44531	20.1
626.44476	2.1
643.45367	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	643.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.6
55.01864	6.3
55.05501	24.3
57.03427	8.9
57.07054	3.4
65.03922	4.1
67.05495	69.2
69.03404	2.4
69.07056	25.2
71.04984	6.9
71.08628	1.0
77.03873	1.4
79.05480	57.5
81.03400	3.4
81.07042	100.0
82.07359	2.4
83.04959	6.1
83.08604	14.3
85.06509	3.6
91.05465	66.5
92.06264	1.2
93.07033	53.1
95.04948	12.4
95.08591	51.3
97.06516	10.9
97.10135	7.7
99.08072	3.7
103.05499	1.6
105.07014	66.3
107.04940	7.9
107.08575	34.5
109.06508	12.7
109.10131	22.9
111.08051	5.2
115.05418	2.4
117.07007	15.6
119.08562	64.8
121.06489	4.8
121.10120	29.9
122.50698	1.1
123.08040	7.5
123.11678	10.5
125.09599	4.7
127.07527	1.8
128.06210	3.4
128.07814	1.3
129.06982	10.7
130.07721	1.6
131.08545	33.7
133.06410	2.2
133.10107	47.2
135.08025	4.7
135.11652	19.3
137.09599	6.4
137.13243	2.0
139.11166	1.6
141.06958	2.0
142.07744	2.5
143.08525	12.5
144.09334	1.6
145.06395	1.5
145.10098	28.5
147.08031	3.2
147.11662	48.4
149.09596	8.4
149.13242	11.7
151.11104	2.5
155.08524	3.3
156.09312	1.6
157.10120	12.2
159.08038	1.5
159.11662	21.1
161.09581	4.2
161.13231	26.1
163.11128	5.5
163.14813	3.9
165.12744	7.2
168.09337	1.5
169.10110	4.0
171.11650	13.8
173.11794	2.5
173.13211	15.1
175.11192	3.8
175.14804	12.8
177.12753	2.8
179.10645	1.9
179.14200	1.3
183.11679	4.6
185.13232	9.6
187.11171	2.4
187.14751	6.1
189.12714	2.6
189.16382	2.0
191.14258	2.0
193.10300	1.1
193.12206	1.9
195.11728	3.1
195.13676	1.6
197.13196	4.7
199.14783	7.2
201.16312	1.8
203.14313	1.7
205.12038	1.2
207.13698	1.2
209.13269	2.0
211.14824	1.8
213.16385	3.9
215.17896	3.7
217.15793	1.3
217.19513	1.6
223.14803	1.4
229.19505	3.0
231.20984	5.7
239.17931	4.8
241.19458	24.2
243.21141	1.7
247.20450	3.5
257.18939	9.2
259.20517	43.8
261.22098	1.7
273.18375	2.3
275.20029	45.6
277.21564	4.1
291.19513	2.6
293.21133	9.0
315.23065	5.0
333.24176	43.7
334.24463	1.6
335.25623	3.9
349.23630	10.0
351.25217	2.2
365.23267	1.9
367.24741	28.7
392.43347	1.2
491.77505	1.3
515.37872	3.5
533.39807	3.5
545.38635	1.8
551.40625	4.5
607.43683	7.9
625.44379	15.0
643.45575	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	643.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	7.0
55.01865	14.9
55.05503	41.0
57.03428	10.8
57.07058	6.1
64.91535	1.5
65.03915	4.1
67.05495	81.0
68.05804	2.1
69.03418	4.3
69.06686	2.1
69.07055	31.9
71.04967	6.6
71.08621	8.5
71.68040	1.8
79.05019	3.7
79.05482	71.2
80.05809	1.8
81.03401	6.2
81.07043	100.0
82.07376	2.5
83.04967	16.0
83.08157	2.6
83.08609	28.6
85.06517	5.0
91.05468	65.4
93.07027	71.6
95.04958	16.9
95.08591	66.1
96.08923	2.0
97.02847	1.8
97.06509	18.7
97.10144	10.5
98.21407	3.3
99.08080	6.7
105.07014	73.4
105.07723	3.8
107.04941	12.1
107.08575	49.0
108.08971	2.4
109.06509	11.6
109.10132	24.7
111.08054	12.0
113.05979	2.3
113.09660	1.8
115.05386	1.8
117.06995	26.8
117.18024	1.4
119.07736	3.0
119.08561	59.4
119.09401	3.1
119.24603	1.4
121.06519	8.0
121.10117	37.0
123.08047	9.5
123.11655	7.6
123.15514	1.7
125.09581	7.7
128.06206	1.7
129.05414	2.8
129.06979	14.4
130.07729	2.9
131.08553	41.3
133.06485	3.3
133.10110	47.4
134.10397	2.9
135.08022	4.6
135.11667	23.2
137.05844	1.5
137.09616	4.9
137.13240	1.7
141.06953	3.0
142.07680	2.4
143.08522	15.7
145.06444	2.7
145.10103	36.3
147.08026	5.7
147.11670	36.5
149.09586	13.8
149.13237	12.7
151.11151	7.6
155.08522	7.1
157.10123	16.1
159.08031	4.0
159.11674	25.0
161.09615	5.4
161.13254	23.9
163.11165	15.8
163.14792	2.5
165.12785	5.1
169.10097	6.4
171.11647	16.6
173.09612	3.3
173.13223	15.2
175.11159	6.7
175.14897	9.5
177.12659	5.2
179.14311	8.8
181.10123	3.4
183.11618	8.1
184.55531	1.9
185.13243	10.8
187.11099	2.2
187.14781	7.0
189.11165	2.4
189.12712	2.5
191.14223	2.1
193.12305	1.8
195.11620	3.4
195.13693	1.5
197.11522	2.0
197.13226	6.6
199.14835	6.6
201.16382	4.4
203.18021	1.9
207.13838	1.9
211.14735	2.8
213.16331	3.4
215.17889	3.3
222.58681	1.6
227.12746	2.9
229.14182	2.3
229.19482	5.4
231.21072	3.8
239.18018	4.1
241.19440	17.7
247.20450	2.8
257.18982	12.3
259.20508	28.1
267.15811	2.3
273.18515	9.1
275.20010	44.4
276.20410	5.8
277.21671	11.7
289.21692	2.7
291.19412	5.6
293.21008	7.4
301.21384	2.3
315.23318	3.6
333.24197	29.3
335.25711	4.7
339.68646	1.8
347.21542	1.7
349.23746	15.9
351.25073	5.3
359.43173	1.9
365.23358	3.9
367.24820	10.9
412.86353	1.7
424.13345	2.5
425.14923	2.1
437.15131	2.1
438.15518	2.2
439.15787	2.0
441.19336	3.2
467.16425	1.8
469.18530	1.8
481.17151	2.0
497.16800	1.9
509.16110	2.5
510.17462	5.2
514.16876	1.8
515.37848	3.8
523.17566	3.0
524.18811	1.7
527.36920	2.9
533.39673	3.1
543.36334	2.9
545.37952	8.6
551.40717	3.4
555.20691	2.6
583.20490	26.3
584.20264	2.4
601.21295	4.9
607.43597	11.9
624.23041	2.9
625.44598	29.7
643.22528	29.7
643.46143	10.7
644.22534	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	643.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.8
55.01866	9.5
55.05502	31.5
57.03429	12.7
57.07063	3.7
65.03931	4.7
66.80255	1.2
67.05495	68.9
69.03400	3.3
69.07058	27.3
69.78033	2.4
69.78442	8.3
71.04980	6.8
71.08602	2.9
72.16354	1.2
79.05483	69.5
81.03404	4.9
81.07043	100.0
83.04965	8.7
83.08605	21.1
85.06522	6.4
91.05466	59.7
91.06042	3.0
93.07027	68.1
95.04972	13.3
95.08590	58.8
97.06513	12.8
97.10161	5.7
98.20721	3.1
99.08071	3.8
101.64820	1.3
103.05418	1.7
105.07014	66.0
106.07340	1.9
107.04950	12.4
107.08582	41.4
109.06504	11.6
109.10137	24.9
111.08077	7.1
115.05429	2.5
116.06255	1.2
117.07007	24.9
119.08559	63.5
119.09409	3.3
121.06483	2.6
121.10131	24.5
123.08056	8.0
123.11684	7.7
124.02951	1.3
125.09605	5.7
127.07517	2.1
128.06203	2.3
129.06966	13.9
131.08546	35.2
133.06502	3.4
133.10107	48.5
135.08025	7.2
135.11685	18.8
137.09595	6.1
137.13191	1.8
139.11134	2.1
141.06946	2.7
142.07713	2.6
143.08551	15.0
144.09386	2.0
145.06477	2.9
145.10103	33.3
147.08060	3.5
147.11662	38.5
147.12839	1.9
149.09578	9.8
149.13225	13.3
151.11176	6.4
153.08997	1.6
155.08516	6.3
156.09303	1.7
157.10132	13.9
159.08093	2.4
159.11688	23.5
161.09579	4.1
161.13229	22.5
163.11142	6.2
163.14810	3.4
165.12727	5.1
167.08594	2.9
169.10106	6.5
171.11665	15.1
173.09602	2.0
173.13214	13.0
175.11200	5.2
175.14781	12.3
177.12756	2.7
179.10680	1.9
179.14325	1.8
181.10229	3.0
183.11646	6.0
185.13223	11.4
187.11093	2.3
187.14813	6.5
189.11211	1.5
189.12767	3.4
195.11681	3.4
197.13268	6.4
199.14798	6.7
201.12717	2.5
201.16315	3.5
203.14331	2.7
205.15903	2.1
211.14868	2.8
213.16365	4.9
215.18027	2.8
217.19504	2.6
219.17386	1.7
221.13217	2.2
223.14911	2.4
227.12636	2.0
229.19487	3.4
231.17332	1.9
231.21155	4.2
239.17896	5.8
241.19478	23.7
245.19014	2.1
247.20547	3.5
257.19009	12.3
259.20541	37.3
261.22095	4.5
263.20029	4.0
267.15942	1.9
269.17477	2.6
271.20526	1.6
273.18475	5.4
275.20020	39.3
276.20334	2.3
277.21710	7.4
289.21585	4.6
291.19479	4.7
293.21106	6.3
303.23663	1.6
315.23199	5.6
333.24194	33.0
335.25793	7.2
337.23816	3.6
349.23587	12.6
351.25275	5.8
351.34219	1.7
363.25580	1.5
365.23157	3.4
367.24744	13.9
409.31131	2.3
441.19672	1.8
469.18494	1.7
489.35596	2.1
496.17172	1.8
501.35815	3.8
513.35474	2.7
515.37726	4.9
517.38776	2.2
527.36780	4.2
533.39691	4.5
545.38251	5.0
551.40564	4.7
555.22607	1.5
567.39813	2.0
583.21948	12.9
584.21844	2.6
585.41119	2.6
597.44830	2.0
607.43555	11.0
625.44531	29.1
643.23730	4.9
643.45734	8.7
655.16260	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.6
55.01861	1.7
55.05492	2.7
57.03434	6.3
61.02912	4.8
67.05487	7.2
69.03409	2.5
69.07050	1.5
70.06587	0.8
70.48256	3.6
71.04971	2.8
72.08144	1.4
73.02907	1.9
79.05473	7.1
81.02941	1.5
81.03403	24.9
81.07040	9.3
83.04971	6.8
83.08610	9.6
84.04499	0.9
85.02895	16.1
85.06535	0.8
91.03947	5.3
91.05468	8.4
93.07038	5.8
95.04949	10.4
95.08567	4.0
97.02862	5.4
97.06519	1.7
97.10149	1.4
105.07041	6.3
107.04939	2.1
107.08556	1.8
109.02795	0.9
109.06499	1.7
109.10126	1.2
110.06060	0.9
111.04402	1.3
111.08093	4.3
113.06023	1.1
115.03890	0.8
119.08546	6.5
121.10139	4.1
123.08026	1.4
123.11667	1.0
124.07560	0.8
127.03876	3.0
127.80446	0.8
127.81417	0.7
129.06989	3.0
129.10249	0.7
130.04810	0.8
131.08527	3.8
133.06485	1.4
133.10146	3.9
137.06000	1.5
137.09570	1.2
145.04936	2.9
147.04410	2.4
147.08002	1.2
147.11644	6.4
149.09586	2.8
154.04953	2.6
157.10109	6.3
163.03853	2.3
163.05978	2.7
165.12772	1.4
175.11142	8.2
179.06816	1.0
193.12210	21.5
211.13255	20.9
215.72327	0.8
218.46933	0.8
249.14816	0.8
253.22070	0.8
267.15918	10.1
285.16922	100.0
286.17163	2.6
429.20871	1.0
447.22159	3.0
644.22638	1.1
645.56921	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.7
55.01863	2.5
55.05503	7.0
57.03434	7.6
59.48034	1.2
61.02913	13.6
65.03896	1.1
67.05486	10.7
69.03420	6.0
69.07047	3.5
70.06583	2.8
71.01347	1.2
71.04973	4.9
72.08100	1.1
73.02913	5.5
79.05476	12.6
81.03405	49.7
81.07044	18.1
83.04953	11.0
83.08609	18.5
84.08147	2.9
85.02894	29.6
85.06532	1.2
86.09670	1.4
87.04483	1.4
89.03885	1.8
91.03933	9.8
91.05456	14.9
93.07027	11.3
95.04953	18.5
95.08597	5.5
97.02873	12.1
97.06523	4.1
97.10165	2.5
105.07003	11.2
107.04941	5.0
107.08569	6.0
109.02858	2.2
109.06505	4.1
109.10125	2.2
110.06025	7.9
111.04421	1.7
111.08080	9.3
113.06024	2.3
115.03908	1.2
115.05453	1.7
117.03344	1.4
117.07068	1.2
119.08561	11.3
121.10146	7.1
123.08038	1.7
123.11686	3.3
127.03916	3.9
129.06970	6.9
131.08574	7.0
133.06467	2.6
133.10077	6.3
135.08032	1.3
135.11679	1.8
137.05968	3.8
138.41786	1.1
142.07742	1.8
145.02805	4.1
145.04927	4.1
147.04370	2.0
147.08020	3.5
147.11650	11.4
149.05965	1.4
149.09627	4.2
151.11128	2.0
157.10118	11.1
163.03883	4.5
163.05998	4.9
165.12804	1.5
175.11150	13.8
177.05423	5.6
193.12212	49.3
211.13258	35.4
229.14281	1.7
267.15903	16.9
267.26041	1.2
285.16913	100.0
286.17245	2.1
287.05515	2.7
315.04944	6.6
316.05219	5.4
331.17459	1.3
429.20865	1.6
450.08743	1.3
468.23230	1.2
614.17731	1.6
622.33319	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39559	0.6
50.74656	0.8
51.02364	0.7
53.03936	2.5
53.27191	0.6
53.50087	0.6
55.01860	1.1
55.05498	4.8
57.03424	7.9
57.07068	0.7
59.04986	1.8
61.02906	3.5
65.03912	1.3
67.05496	4.4
69.03416	26.9
69.07049	4.3
70.06554	0.6
71.01349	0.7
71.04981	2.0
71.54578	1.3
73.02905	2.2
75.04454	1.3
79.05476	12.5
81.03392	3.9
81.07044	9.3
81.26612	0.6
83.04966	3.6
85.02888	40.3
87.04453	17.8
89.38724	0.6
91.03934	1.9
91.05463	17.7
93.07025	80.2
94.07330	0.7
95.04936	5.9
95.08583	12.5
96.22948	0.6
97.02875	31.5
97.06520	2.5
99.04457	1.9
101.02333	0.6
103.03888	1.4
105.04482	0.7
105.07017	9.5
107.04927	1.1
107.08572	99.0
108.08910	1.4
109.02850	3.0
109.06505	3.1
109.10154	3.0
110.91650	0.6
115.03909	33.2
117.07006	1.0
119.08559	2.7
121.06458	0.8
121.10126	5.7
123.04419	0.8
123.11719	1.3
125.09676	0.7
127.03889	8.8
129.05447	0.9
131.08537	1.6
133.04941	31.7
133.10083	3.4
135.11667	100.0
136.12032	1.6
137.13217	2.8
145.04933	16.2
145.10130	1.6
147.04440	0.8
147.11658	2.8
149.13193	1.0
150.07613	1.6
153.12709	20.1
154.13040	0.6
157.10185	0.8
157.18347	0.6
159.08026	0.8
159.11713	2.0
162.29388	0.6
163.03918	0.8
163.06000	6.8
163.11032	0.7
164.97035	0.7
165.12753	0.9
169.04913	1.3
171.11646	0.8
173.09552	0.9
177.09212	0.7
177.12749	3.9
183.11560	0.9
185.07944	0.8
185.13310	0.8
201.12723	0.7
213.12653	0.9
219.13762	1.4
223.05870	0.8
231.13766	1.6
241.06970	1.3
243.13721	0.9
249.14867	1.0
259.08194	2.9
261.14920	0.9
267.15845	4.2
277.09161	1.8
279.15875	1.7
289.09113	0.7
294.46652	0.8
295.10120	4.0
297.16858	2.5
324.44354	0.6
325.11292	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	645.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21930	1.9
53.03908	2.3
55.01857	5.3
55.05490	7.8
57.03403	3.1
57.07059	3.3
59.80608	2.1
65.03913	4.5
67.05493	16.7
68.92938	2.2
69.03413	6.4
69.07047	4.8
70.06570	5.3
71.04959	5.7
71.05731	4.7
72.08104	1.9
79.05474	13.5
79.05859	2.0
81.03397	7.0
81.07043	33.0
82.06540	2.3
82.07366	2.3
83.04964	6.2
83.08632	3.1
85.02874	7.0
85.06514	7.7
91.05457	15.4
93.05772	3.0
93.07024	21.4
94.06541	10.5
95.04940	8.8
95.07342	6.7
95.08589	17.9
96.08107	19.9
97.06503	12.6
99.04444	3.9
99.08091	2.4
100.85696	2.1
103.05441	3.6
105.07009	12.1
106.06528	5.4
107.04935	5.3
107.07323	3.4
107.08572	15.6
108.04446	2.3
108.08101	31.7
108.08862	4.1
109.02818	2.1
109.06488	2.5
109.10123	10.4
109.13026	2.2
110.09659	33.1
111.04431	4.5
111.08038	3.6
113.06008	2.4
115.83858	2.1
115.91173	2.4
118.06502	2.2
119.04942	2.6
119.08534	10.9
120.04449	7.8
120.08080	29.6
121.02897	3.1
121.06477	6.1
121.10128	12.3
121.10891	2.1
122.06013	15.3
122.09634	2.8
123.08051	4.9
123.11658	5.7
124.07594	18.5
124.34792	2.1
125.05928	4.6
125.09650	4.0
127.03873	6.9
129.06926	3.1
131.08521	6.3
133.10089	7.9
134.05984	6.3
135.08006	3.4
135.11646	5.8
136.07547	57.6
137.05965	4.9
138.09122	55.5
139.03873	5.2
139.11211	2.4
144.04391	5.3
145.02837	2.7
145.10083	5.5
146.05975	10.6
147.04376	6.2
147.11581	4.8
148.07541	27.2
149.09621	4.4
149.13220	5.3
150.09099	9.6
152.07059	38.5
153.05475	4.7
157.10178	3.1
159.11627	6.1
161.13295	3.4
162.05493	6.2
163.03856	4.5
163.11195	2.8
164.07001	10.4
166.08609	76.7
167.06993	28.4
172.03903	30.0
173.09503	2.5
173.13249	3.2
174.05452	4.3
174.09103	4.7
175.07487	3.9
176.07069	3.3
177.05426	4.0
181.04922	5.7
182.08113	4.3
187.14717	2.1
190.04951	20.1
191.07036	2.5
191.10629	4.1
194.08080	2.7
197.10634	5.3
198.11469	7.2
199.12292	2.4
199.14839	2.9
204.06520	45.9
209.10773	4.9
210.11465	9.6
211.08733	2.8
211.12184	16.6
212.09378	2.7
212.13057	5.3
213.10135	2.3
218.08029	3.2
221.10861	2.5
223.08572	6.2
223.12294	15.1
224.09369	7.5
225.10272	27.1
225.13826	6.6
226.10947	12.9
227.11722	10.3
233.08028	2.6
235.12335	3.5
236.09424	6.5
237.10201	24.7
237.13882	3.2
238.10942	24.1
239.08006	2.8
239.11734	27.8
240.12462	5.3
241.09705	3.4
241.13359	4.9
246.07561	3.0
248.09303	3.1
249.10219	13.1
250.11057	10.8
251.08183	6.5
251.11731	39.0
252.08925	6.0
252.12468	9.6
253.09647	11.3
253.13318	17.3
254.10428	3.1
255.11230	8.5
255.14720	2.9
256.11984	9.0
257.12885	5.3
259.14066	2.5
262.11005	9.7
263.07883	4.1
263.11749	23.8
264.08755	9.7
264.12476	6.7
265.09738	22.3
265.13159	15.9
266.10483	15.7
266.13330	2.4
267.11227	46.8
268.11914	3.3
269.12784	14.3
270.17841	2.7
271.10953	4.8
271.14359	16.5
273.03986	2.3
273.12286	4.9
277.09717	6.4
278.10345	7.8
279.11215	64.2
280.11862	11.7
281.12772	29.0
282.09818	5.9
282.13406	4.1
283.10696	13.5
283.13895	4.3
284.11392	23.3
285.12265	93.1
286.12854	3.0
287.05240	3.2
287.13828	8.0
289.15372	4.3
291.11206	17.3
292.11984	6.2
293.12811	24.0
294.10052	2.8
295.10571	6.1
295.14084	3.0
296.11517	9.9
297.12286	98.1
298.13010	10.6
299.13895	15.6
307.10748	4.0
309.12274	38.9
310.13153	13.2
311.10089	13.5
311.13849	6.1
312.11078	5.5
313.11761	7.5
315.04919	21.8
316.14120	3.4
319.10733	14.3
321.12244	32.0
323.10217	25.2
323.13745	4.2
324.10605	2.5
325.11734	42.2
326.12430	3.9
327.13272	26.5
329.06406	3.3
330.15485	2.3
331.08041	34.7
337.11765	81.6
338.12445	5.9
339.13312	12.3
341.11115	5.3
343.12796	9.0
344.14105	3.8
346.18906	4.1
357.14514	17.1
358.14859	2.5
359.16016	9.4
360.16904	2.6
367.12811	3.7
369.14673	4.5
370.15311	3.9
371.16275	2.9
373.13763	3.4
376.20432	2.7
385.14063	3.5
390.17993	8.8
392.19562	11.1
393.27740	2.8
400.16260	3.8
402.18082	8.5
404.19604	9.8
411.28873	7.2
414.18237	4.0
416.19669	4.7
418.17288	6.9
422.20844	4.4
429.29889	22.6
430.17444	23.2
431.18100	4.4
432.18945	18.0
436.18356	6.7
442.17496	6.8
444.18912	2.4
446.21133	10.4
447.30908	14.1
448.18567	68.0
449.19391	65.0
450.20151	54.0
451.20792	3.4
460.12451	4.3
460.18533	50.6
461.19003	5.3
462.19986	8.4
463.20908	2.3
465.31375	4.6
472.18262	4.6
474.20135	11.9
476.18201	24.6
477.18887	18.6
478.19659	22.9
480.21384	2.8
483.31381	7.4
490.19653	87.6
491.20529	28.0
492.21198	49.3
493.21939	9.1
522.22198	27.7
523.22998	38.7
524.23566	6.2
567.25922	4.6
571.25409	3.4
595.25385	22.6
613.26422	100.0
614.26733	4.7
645.28839	5.2
654.13495	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	645.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.7
55.01872	3.3
55.05495	5.5
57.03421	2.9
57.07066	2.2
67.05500	13.9
67.90845	2.0
69.03409	4.5
69.07050	8.7
70.06575	3.7
71.04980	4.3
71.66684	2.2
71.70568	2.1
78.17490	1.9
78.47926	1.9
79.05473	10.6
81.03402	4.8
81.07057	19.5
82.06572	3.5
82.10208	1.8
83.04970	3.5
83.08604	5.3
85.02894	9.1
85.06526	9.1
86.09698	2.4
91.05469	12.1
93.07024	18.2
94.06564	10.0
95.04956	6.3
95.07322	5.9
95.08594	15.5
96.08118	20.0
96.36548	1.9
97.02853	2.9
97.06506	5.9
99.04401	2.7
105.07014	11.3
106.06529	4.3
107.04932	4.4
107.08594	10.9
108.08108	22.4
109.02862	2.5
109.06501	3.6
109.10148	9.7
110.09660	28.7
111.04449	2.5
118.06550	2.1
119.04905	2.8
119.08559	9.4
120.04486	4.6
120.08083	29.0
121.06507	3.4
121.08821	2.3
121.10135	8.4
122.06020	13.0
123.04401	2.8
123.08039	3.1
123.11691	3.7
124.07572	15.7
125.06000	4.6
125.09553	2.5
127.03868	5.7
129.07037	2.4
131.08563	4.8
132.08067	2.3
133.10094	7.1
134.06015	4.5
135.08055	2.1
135.11682	4.2
136.07561	55.1
137.05931	5.8
137.13199	3.8
138.09122	43.4
139.03891	4.4
144.04466	4.7
145.02773	2.4
145.10069	5.0
146.05966	11.9
147.04396	5.7
147.11668	5.7
148.07552	23.7
149.05977	2.7
149.09555	3.3
149.13231	3.3
150.09123	6.4
151.07579	3.6
152.07042	33.3
153.05441	2.5
157.10127	3.4
159.11722	5.8
160.07532	4.4
161.13237	2.8
162.05489	4.4
163.03889	7.2
163.07529	3.6
164.07047	11.4
166.08624	60.2
166.10030	3.5
167.07045	23.5
172.03926	29.0
174.09201	2.4
176.06996	2.7
177.05402	4.5
178.04871	3.0
181.04887	4.2
190.04999	21.2
191.07072	4.3
197.10695	4.8
198.11481	4.3
199.12350	3.1
204.06537	32.3
207.06340	2.1
209.10719	3.7
210.09648	2.4
210.11456	13.0
211.12288	16.8
212.09341	3.2
212.13022	5.3
218.08138	3.5
221.10684	2.8
223.08661	2.8
223.12265	14.5
224.09277	3.5
225.10207	24.8
226.10905	12.5
227.11768	11.4
229.13359	3.7
235.12271	4.7
237.10265	18.3
237.13853	3.3
238.10918	18.8
239.11821	23.3
240.12468	3.6
241.13339	5.5
245.13037	2.8
249.10239	16.5
250.10948	11.9
251.08061	4.4
251.11787	28.7
252.08852	3.5
252.12592	6.8
253.09735	5.5
253.13336	13.5
255.11208	6.8
256.12109	9.3
257.12845	6.2
259.14163	3.7
262.11060	8.6
263.08032	2.1
263.09003	2.7
263.11725	24.8
264.08923	7.8
264.12604	7.7
265.09726	14.4
265.13266	18.2
266.10516	13.7
267.11252	36.7
269.12830	11.9
270.05237	3.6
271.10669	4.8
271.14362	11.8
273.12354	6.4
277.09872	4.5
278.10486	7.0
279.11234	55.8
280.12033	8.2
281.12772	16.9
282.13614	3.2
283.10730	14.8
284.11526	19.7
285.12296	74.8
287.05392	4.2
287.13956	5.2
289.15384	4.1
291.11163	16.1
292.12027	6.6
293.09644	2.8
293.12769	16.0
295.10837	6.4
296.11432	10.5
297.12308	87.7
298.12872	6.9
299.13907	14.4
307.10635	4.7
309.12363	27.0
310.13147	8.3
311.10242	14.0
311.13873	6.0
312.10889	3.4
313.11813	6.8
315.04968	14.0
316.14484	2.8
319.10745	15.8
321.12268	30.2
323.10257	19.0
324.10721	2.8
325.11819	30.0
327.13345	25.0
329.06564	3.8
330.15964	2.6
331.07971	25.2
337.11798	75.1
338.12393	5.9
339.13339	11.6
343.12360	3.7
344.13757	2.9
357.14557	10.7
358.15674	4.3
359.15985	7.0
369.14481	5.7
371.16159	3.0
372.16977	3.6
373.13461	2.8
388.16452	3.1
390.18143	5.7
392.19589	7.9
400.16440	3.0
402.18195	6.7
404.19601	8.1
411.28934	8.3
412.16663	3.4
418.17371	3.4
420.19165	4.4
421.20001	2.8
422.20630	3.5
429.29919	14.4
430.17596	19.6
431.18097	3.0
432.19043	13.8
436.18744	3.7
442.17770	6.8
446.20541	9.1
447.31195	13.9
448.18573	57.0
449.19452	58.2
450.20193	43.5
460.12601	3.2
460.18716	39.4
461.19125	4.9
462.20071	8.0
463.20648	2.7
472.18500	4.2
474.20255	14.2
476.18198	23.4
477.18643	18.7
478.19632	22.0
480.20959	3.5
483.31253	4.3
490.19696	87.6
491.20227	24.3
492.21298	35.9
493.22034	9.2
522.22260	26.4
523.22992	27.0
567.25830	6.0
571.25677	3.0
595.25421	24.0
613.26563	100.0
614.26953	3.9
645.28876	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	646.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.01849	1.2
55.05494	2.6
57.03421	2.5
62.48771	0.7
65.03900	0.8
67.05482	2.3
69.03422	10.8
70.06577	1.9
71.04981	2.3
71.70992	1.5
75.04486	0.8
79.05478	19.3
79.10220	0.7
81.03407	13.0
81.07039	4.7
81.33186	0.9
83.04913	0.7
84.04509	1.1
85.02896	8.8
86.09679	1.2
87.04477	1.2
91.05454	14.7
93.07027	65.0
94.07346	1.0
95.04955	4.7
95.08587	2.8
97.02302	1.1
97.02871	9.6
97.06549	1.0
99.04425	1.2
103.03925	0.7
103.05431	2.3
104.10735	2.0
105.07011	14.4
107.04906	1.9
107.08578	11.3
109.02863	6.1
109.06496	2.2
109.10123	1.0
111.04408	2.0
111.08047	2.2
119.04907	2.3
119.08566	15.0
121.06532	4.3
121.10123	100.0
122.10456	1.6
123.08046	4.5
123.11665	0.9
125.05991	0.9
127.03900	4.5
129.05457	1.0
129.06969	1.5
131.08527	9.3
133.07576	1.3
133.10112	1.6
137.02348	0.9
137.05971	1.6
139.03891	1.7
139.11159	3.5
145.04950	1.6
145.06494	0.9
145.10089	0.9
147.04388	5.5
149.09593	83.8
150.09990	1.3
156.48621	0.9
157.10133	0.7
163.03899	3.0
167.07034	2.1
167.10646	16.9
175.11183	0.9
175.31763	0.8
177.05435	1.5
201.05222	0.7
202.82623	0.8
205.43488	0.9
293.13754	10.6
311.14847	23.5
312.15112	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46796	0.4
53.03938	0.7
55.01852	0.6
55.05497	2.2
57.03428	5.3
57.07063	1.1
59.04990	2.8
61.02916	2.0
67.05492	4.9
69.03416	19.6
69.07057	6.5
70.06567	0.7
71.01360	0.4
71.04977	1.6
71.08636	0.6
71.70495	0.4
71.70921	0.7
73.02901	1.3
73.06525	0.4
79.05479	4.6
81.03398	2.9
81.07040	100.0
82.07381	1.4
83.04963	1.6
83.08607	2.6
85.02889	25.8
85.06548	1.7
87.04453	10.9
91.03935	1.2
91.05455	1.1
93.07030	2.9
95.04966	1.4
95.08588	31.8
96.08934	0.5
97.02873	19.8
97.06506	0.9
97.10158	0.9
99.04424	1.9
99.08080	6.0
101.02344	0.5
103.03901	0.9
105.07018	2.4
107.04957	0.5
107.08588	1.6
109.02866	2.4
109.06497	0.9
109.10114	1.3
111.04422	1.5
111.08073	0.7
111.11712	2.9
115.03908	16.3
117.07014	0.4
119.08537	1.8
121.06496	0.8
121.10133	1.1
123.04423	0.5
123.08055	0.4
123.11740	0.8
125.05869	0.5
127.03889	4.7
129.05475	0.4
131.08542	0.6
133.04942	17.3
133.10110	1.0
135.08054	0.3
135.11649	1.1
135.37718	0.3
136.07510	0.7
137.05954	1.0
137.13228	51.0
138.13530	0.9
139.07530	0.5
141.05426	0.4
141.09091	0.8
143.08511	0.4
145.04935	10.3
145.10098	0.4
147.04373	0.9
147.11708	2.1
149.09593	0.6
149.13196	1.5
150.07578	1.0
151.07535	0.3
151.41391	0.3
153.12752	0.7
155.14276	28.2
157.05103	0.4
159.06544	0.4
159.11598	0.7
161.04512	0.4
161.13188	1.8
163.03871	0.9
163.05997	4.7
163.07338	0.6
163.11127	0.6
165.12711	1.6
169.04962	0.8
173.15359	4.1
175.14807	0.5
177.05495	0.4
179.05467	0.8
179.14281	1.6
181.04868	0.4
189.12680	0.4
191.14328	0.6
193.16115	0.3
195.13713	0.4
197.15234	0.6
203.14322	0.5
215.14317	0.7
221.15331	1.1
223.05992	0.5
227.16199	0.4
233.15268	1.5
235.20695	0.3
239.16295	0.9
241.07013	0.8
245.15364	0.5
251.16347	1.4
259.08102	1.7
263.16376	1.8
269.17358	1.6
277.09039	0.8
279.48996	0.4
281.17517	1.8
287.18427	1.9
295.10236	2.1
299.18295	1.0
317.19443	2.2
325.11218	2.3
335.20667	0.5
461.12894	0.4
524.38855	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01854	1.8
55.05512	0.7
57.03415	2.4
57.16542	0.6
59.04990	0.8
61.02904	2.5
63.77938	0.6
64.86521	0.6
65.03924	2.0
65.77845	0.5
67.05494	1.3
69.03089	0.9
69.03421	11.8
69.57619	5.4
70.06573	0.9
71.04978	1.4
73.02895	1.4
75.13184	0.6
79.05482	7.5
81.03408	13.3
81.07046	5.1
83.04966	3.7
85.02892	14.5
87.04444	1.9
91.05460	8.1
93.05777	0.8
93.07018	1.9
95.04976	3.0
95.08562	0.8
96.92042	0.7
97.02876	9.9
97.06516	2.2
98.97611	0.9
99.04449	1.7
106.06537	8.2
107.04934	7.1
107.07322	16.2
108.08113	9.9
109.02852	4.6
109.06486	4.2
109.10145	0.6
111.04428	5.7
117.05737	3.2
117.95284	0.6
118.06526	20.2
119.04911	1.1
120.08089	27.7
121.02824	1.2
121.06454	0.9
121.10085	0.9
122.06022	2.2
123.04401	2.1
123.08014	0.6
124.81913	0.6
125.06020	1.6
126.05516	0.7
127.03915	3.4
130.06474	2.5
131.07321	1.8
132.08064	13.3
133.10054	0.6
134.06000	9.3
134.09602	0.9
135.04401	11.5
136.07545	1.3
137.05946	2.2
139.03809	0.8
144.08049	5.0
145.04941	1.1
146.05998	1.3
146.09616	3.3
147.04369	2.0
148.07555	1.9
149.05942	0.9
150.09143	5.1
152.06940	0.8
153.05424	2.0
156.08060	2.6
157.08789	0.8
158.09615	2.5
160.07565	7.1
162.09140	2.4
163.03915	3.0
164.07053	1.4
166.04973	0.7
167.07236	1.2
168.08063	2.3
170.09633	4.0
172.07495	3.5
172.11220	1.4
173.08412	1.4
174.09108	9.6
177.05452	0.7
178.08621	8.6
179.08492	1.0
180.08076	1.5
181.04959	1.3
181.08829	2.4
182.09665	4.2
183.10323	0.8
184.07503	2.0
184.11259	0.8
186.09088	2.9
186.12706	0.8
188.10660	0.9
190.08559	1.1
192.10170	0.7
194.09663	1.5
196.07526	0.7
196.11179	6.7
198.09125	7.9
199.05992	3.0
199.09837	0.9
200.10678	3.9
202.08545	4.3
206.09625	2.2
207.08122	0.8
208.07619	0.8
208.11075	0.8
209.08324	1.4
210.09088	5.6
211.09808	1.1
212.10727	2.5
214.12231	3.9
216.10196	2.0
222.09206	0.9
224.10648	14.0
226.08511	3.1
228.10138	4.1
234.09068	1.3
240.10280	0.9
241.11079	1.2
242.11722	10.1
244.09645	3.4
252.10147	7.0
260.12878	4.7
269.08060	0.7
270.11194	11.7
288.12256	79.2
289.12579	2.6
290.13943	1.4
296.09021	0.9
306.13315	100.0
307.13608	2.8
337.93521	0.6
406.95102	0.8
450.17575	2.7
468.18607	45.7
469.18820	1.8
473.19653	0.8
486.19525	1.4
648.24957	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.4
52.67807	1.8
53.03724	2.6
53.03936	16.9
53.69987	1.8
55.01861	9.2
55.05505	27.6
57.03424	14.3
57.07075	2.4
65.03938	6.0
65.71544	1.8
67.05134	3.7
67.05494	73.7
69.03423	21.0
69.07051	20.9
70.22303	5.5
70.22727	6.6
71.04980	6.8
73.02946	2.2
73.06552	2.3
77.03909	2.2
79.05483	100.0
81.03407	40.2
81.07044	75.8
83.04966	25.1
83.08621	10.1
85.02902	14.6
85.06526	5.7
91.05465	97.8
93.07032	94.3
95.04945	42.1
95.08601	41.6
97.02869	10.3
97.06511	9.6
97.10160	4.6
99.04424	5.3
102.50769	2.6
103.05452	4.5
105.04539	2.7
105.07013	68.0
107.04940	17.1
107.08585	24.7
109.02848	10.0
109.06520	12.2
109.10154	6.8
111.04424	3.6
111.08080	6.2
115.05453	5.7
117.07005	31.3
119.04926	4.0
119.08566	34.2
121.06495	9.0
121.10130	7.7
123.04361	2.2
123.08054	12.0
127.03911	5.5
128.06224	12.0
129.05479	2.7
129.06989	42.1
131.04900	3.8
131.08530	16.5
133.06488	7.3
133.10118	17.3
135.08034	4.2
135.11659	5.6
137.09644	2.9
141.06989	6.6
143.08549	19.9
145.06450	9.6
145.10118	20.7
147.04375	7.8
147.08034	8.6
147.11658	44.2
149.05872	2.3
155.08524	5.4
156.09331	2.9
157.06528	6.2
157.10132	8.0
159.08049	6.5
159.11684	3.5
161.05901	2.4
161.09601	6.6
161.13234	18.1
163.11183	4.6
167.08533	4.6
169.10167	7.1
171.08054	8.3
171.11667	38.9
173.04459	7.0
173.09634	2.3
173.13252	3.3
175.11061	2.7
177.12729	3.2
179.14319	3.3
181.10129	2.7
185.09610	5.7
185.13225	4.4
187.11150	2.8
189.12733	20.3
199.11467	2.2
207.13765	34.4
208.14232	2.3
213.12823	2.7
223.14819	3.6
225.14824	5.2
227.14311	4.3
233.15517	2.3
241.15874	5.5
245.15233	4.0
251.14308	5.0
259.16910	4.7
263.16415	2.2
269.15414	12.0
279.16217	2.6
281.17426	58.1
281.20541	3.1
282.17795	2.4
287.16336	19.0
305.17447	3.0
309.17285	3.0
315.15915	2.5
333.16904	3.3
343.19043	4.3
351.18011	3.2
361.20267	2.7
389.19461	2.6
407.20068	3.0
425.21512	7.1
487.30527	39.0
488.30438	4.2
501.32230	4.2
567.33148	10.1
585.33636	3.2
631.34491	8.0
649.35443	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	649.3724
Annotation	Hydratoperidinin
Peak:m/z	Relative Intensity
53.51120	0.2
55.01849	0.3
55.05509	1.4
57.03407	0.4
57.07069	0.3
65.03927	1.2
67.05492	3.1
69.03416	0.6
69.07053	1.1
70.49717	0.3
71.04958	0.3
71.70718	0.4
79.05483	2.0
81.03403	1.4
81.07051	3.2
83.04967	0.7
83.08630	1.1
85.02872	0.4
85.06535	0.6
85.49387	0.2
91.05467	12.8
93.07032	2.9
95.04952	1.8
95.08594	3.2
96.08900	0.2
97.02876	0.5
97.06507	0.6
97.10138	0.3
99.04468	0.3
99.08092	0.7
104.65362	0.2
105.07013	3.8
107.08582	4.4
109.06506	1.2
109.10120	2.1
111.04433	0.4
117.06991	0.9
119.04925	25.1
119.08554	5.5
120.05229	0.6
121.06487	0.5
121.10123	2.4
123.04375	0.3
123.08030	0.9
123.11656	0.7
125.09595	0.4
128.06230	0.5
129.06998	0.4
130.07791	0.2
131.08554	2.9
133.10118	4.5
135.08029	0.4
135.11676	0.7
137.09650	0.5
142.07767	0.4
143.08531	2.0
145.10094	3.3
147.04385	100.0
147.11674	2.5
148.04727	1.8
149.13213	0.5
151.07500	0.4
151.11137	0.3
155.08511	0.8
156.09305	0.5
157.10072	1.7
159.08090	0.4
159.11661	2.7
161.09625	0.7
161.13245	1.5
163.07515	0.4
163.11171	0.5
163.14818	0.6
165.05435	1.2
169.10095	0.9
170.10864	0.2
171.11670	1.2
173.09579	0.3
173.13229	2.1
175.11082	0.3
175.14824	1.3
179.10768	0.2
179.14256	0.5
180.09325	0.2
181.10237	0.5
181.12137	0.5
183.11655	0.9
185.13197	1.8
187.11252	0.3
187.14799	3.0
189.12714	0.5
189.16347	0.5
191.14297	0.7
195.11703	0.6
197.13205	0.5
199.14754	1.5
201.16315	2.0
203.14322	1.8
203.17761	0.2
205.15945	0.4
207.11845	0.3
207.13733	0.2
209.13342	0.3
209.15359	0.5
211.14767	0.5
213.16348	0.7
215.14287	0.8
217.15913	0.5
219.13791	0.3
219.17314	0.4
221.15340	0.5
223.14836	0.3
233.15337	0.7
235.16895	0.6
245.15355	1.0
247.17073	0.3
249.14839	0.8
251.18105	0.3
269.22275	0.2
273.18451	0.2
285.10260	0.5
353.24481	0.3
365.28421	0.4
385.28604	0.3
403.29886	1.2
411.28625	0.2
421.30975	2.0
431.29498	0.4
439.32104	1.6
449.30521	1.2
457.32965	0.3
467.31665	1.5
485.32846	0.4
487.34738	0.5
613.36633	0.3
631.37683	0.4
649.41437	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64759	2.1
53.03931	8.9
55.01855	7.6
55.05276	2.5
55.05508	34.1
57.03438	12.2
57.07045	5.2
57.54167	1.9
59.04992	4.5
61.02904	8.3
65.03596	2.1
65.03934	5.9
67.05498	100.0
69.03421	27.9
69.07053	20.0
69.90453	4.0
69.90868	11.2
71.01345	2.5
71.04978	9.5
72.41115	1.8
73.02902	7.0
79.05487	43.9
80.97801	2.0
81.03410	37.4
81.06601	4.4
81.07043	50.5
83.04964	12.3
83.08615	18.8
84.40123	2.0
85.02911	11.7
85.06507	4.0
87.04448	2.4
91.03935	3.4
91.05468	47.3
93.06446	2.0
93.07033	49.2
95.04968	13.3
95.08600	32.4
97.02867	18.5
97.06513	5.5
97.10161	17.5
99.04440	6.5
105.07012	45.4
107.04942	6.5
107.08583	31.9
109.02852	7.0
109.06496	8.5
109.10145	53.0
111.04424	3.3
111.08060	6.2
115.05460	4.2
117.07010	21.9
119.08566	36.5
121.06493	6.5
121.10124	22.2
123.08047	4.2
123.11620	3.2
123.25359	2.1
125.09599	15.6
127.03885	12.7
128.06171	3.1
129.07008	16.6
131.08568	33.0
133.06459	3.6
133.10112	29.4
135.08020	7.4
135.11671	12.5
137.09615	7.7
141.06964	7.2
142.07741	7.9
143.08522	21.0
144.09341	2.1
145.06435	5.0
145.10114	31.5
147.04382	6.1
147.08044	6.1
147.11711	19.2
149.09569	6.9
149.13261	7.6
151.07458	3.0
153.07135	2.3
153.08833	2.7
155.08554	11.6
155.10703	3.4
157.06416	3.3
157.10118	19.8
159.08008	5.7
159.11678	19.7
161.09528	5.8
161.13213	13.0
163.11073	5.2
163.14784	2.7
165.06999	2.5
167.08600	4.6
169.10103	11.1
171.08070	4.2
171.10304	3.9
171.11655	20.1
173.09579	5.0
173.11710	10.2
173.13257	16.6
175.11133	5.2
175.14815	9.0
181.10069	7.6
181.12184	2.6
183.11656	7.2
185.09586	3.3
185.13239	10.1
187.14783	3.6
189.11159	12.0
189.12646	3.5
189.16420	3.7
195.11728	6.2
197.13190	8.2
199.14822	3.5
201.12685	5.4
203.14342	3.6
209.09616	2.7
209.13281	5.1
211.14848	6.4
213.12732	3.0
215.14235	3.3
219.11797	2.4
221.13309	3.4
221.15291	2.6
223.14880	4.2
227.12729	14.6
229.14227	15.1
237.12822	2.7
239.17844	2.4
241.19466	5.3
243.21025	3.7
245.13806	7.2
251.18245	2.6
255.21059	2.9
257.18921	4.6
259.16864	2.5
259.20569	13.9
261.22067	8.7
271.20599	5.5
275.20056	3.6
277.21756	2.7
281.76190	2.2
283.20612	2.8
297.13333	2.5
301.21606	5.2
325.21698	5.0
333.24078	9.8
335.25665	7.8
339.23178	4.3
349.21466	5.0
351.23007	3.6
367.22574	7.6
369.24097	4.2
371.17154	3.7
373.18637	6.4
375.25015	2.7
377.28094	3.1
385.23862	3.9
395.29373	3.6
435.12488	2.1
441.25922	3.0
467.31232	2.7
469.33057	3.9
477.28754	2.6
485.32581	4.0
487.34164	70.2
489.35919	3.4
498.31671	2.3
505.35385	3.3
517.34943	2.9
529.35382	3.3
571.36981	2.6
583.36261	3.3
595.36334	12.7
613.37286	12.3
631.38184	22.6
649.39038	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	649.4082
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
53.03930	1.9
55.01857	0.8
55.05499	6.4
57.07065	6.4
61.08837	0.9
67.05497	9.1
69.07058	6.9
71.08598	3.2
79.05484	6.2
81.03411	6.1
81.07044	13.9
83.04970	1.5
83.08595	7.7
85.04855	0.9
85.10163	1.9
89.03916	7.2
91.05471	7.2
93.07031	10.8
95.04949	3.8
95.08591	21.7
97.02866	0.9
97.10139	3.0
105.07018	12.8
107.04910	2.1
107.08582	12.8
109.02840	1.9
109.06480	1.5
109.10138	9.1
117.03368	15.3
117.06989	2.9
119.04975	1.0
119.08575	21.0
121.06487	1.8
121.10133	12.9
123.04430	0.8
123.08035	0.9
123.11691	5.2
125.02345	1.6
125.09576	0.8
127.03897	1.1
129.06982	2.2
131.08536	6.0
133.06471	0.8
133.10104	12.6
134.03612	1.5
135.04395	3.3
135.08040	1.4
135.11678	8.5
137.09605	0.8
137.13222	2.2
143.08542	3.0
145.02829	48.2
145.10100	7.8
146.03174	1.0
146.84555	0.9
147.04395	1.3
147.08096	0.9
147.11667	12.2
149.05957	9.2
149.13222	6.1
152.14095	0.7
157.06419	0.8
157.10085	2.7
158.10861	0.9
159.08063	1.0
159.11674	7.5
161.05870	0.7
161.13232	7.3
162.03105	0.9
163.03896	3.6
163.11163	0.9
163.14789	6.5
165.09035	1.0
165.12723	1.6
171.11681	2.8
173.13214	5.1
175.14781	8.9
177.05443	100.0
177.16341	8.8
178.05775	1.4
185.13242	1.7
186.05432	2.1
187.14772	4.3
189.16356	18.9
189.90549	0.8
191.17964	2.8
193.12231	2.4
195.06499	29.5
196.06772	0.9
199.14754	2.8
201.16359	15.8
203.17926	21.2
205.15787	1.1
205.19415	0.9
207.17477	3.6
211.13127	0.9
213.16406	4.7
215.17921	14.3
217.19481	2.1
221.15396	1.2
225.16341	1.2
227.17961	1.6
229.19481	2.0
235.16920	1.7
241.19449	2.3
243.21199	1.9
245.15338	1.2
247.16875	2.5
249.18500	1.8
255.21065	1.3
257.22543	1.0
259.17029	1.1
261.18497	4.1
267.15964	1.8
269.22559	1.8
273.14954	1.5
276.69235	0.8
282.69250	1.0
301.14386	2.5
301.21384	1.1
313.27350	6.8
315.23248	1.1
319.15457	4.5
368.74512	0.9
391.33444	4.3
393.19000	1.4
409.34497	7.0
411.32422	5.4
437.34061	18.7
505.38660	1.3
523.39453	1.6
613.40265	1.5
631.41809	1.4
649.43262	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	649.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.05510	4.2
57.07059	3.2
61.07036	0.8
67.05491	5.8
69.03433	1.0
69.07063	4.8
70.71151	1.7
70.71519	1.8
71.08616	0.9
75.52792	0.9
79.05475	5.1
79.48251	0.9
81.03403	1.6
81.07049	12.2
83.08599	5.1
89.03889	7.3
91.05450	6.9
93.07025	10.1
95.04954	1.7
95.08599	19.6
97.10155	2.0
99.40812	0.8
105.07016	12.3
107.08581	17.3
109.10132	9.4
111.08049	1.2
111.11667	1.0
117.03350	15.4
117.07012	1.5
119.08569	16.8
121.10120	16.1
123.08028	0.8
123.11675	7.6
126.20054	0.8
129.06970	1.4
131.08543	4.9
133.10103	11.9
134.03603	1.7
135.04381	3.0
135.11671	7.8
137.13200	1.9
143.08559	2.3
145.02823	43.5
145.10106	7.8
146.03165	1.4
147.11678	10.7
149.05978	9.1
149.13219	6.0
153.09076	1.5
157.10117	2.4
159.11673	7.0
161.13242	6.5
163.03865	3.1
163.11198	1.5
163.13594	0.9
163.14732	4.0
171.11647	1.5
173.13219	4.6
175.14822	6.4
177.05443	100.0
177.16360	9.4
178.05713	1.3
183.11647	1.2
185.13242	2.1
186.05475	2.8
187.14774	4.5
189.16354	15.3
191.17911	4.0
195.06491	36.3
197.13275	1.2
199.14810	1.6
201.16357	11.7
203.17926	19.8
205.15878	2.6
205.19475	0.9
207.17427	1.7
213.16402	3.5
215.17923	10.4
217.19482	1.6
219.17352	1.1
229.19487	1.1
235.16908	3.0
241.19527	1.9
243.21013	1.3
247.16907	4.9
249.18552	1.4
255.20952	1.0
261.18463	7.7
273.14944	1.2
295.24088	1.5
301.14185	1.3
313.27347	1.2
315.23038	1.2
324.08847	0.9
391.33575	4.9
409.34604	6.7
411.32352	6.6
424.19891	0.9
437.34128	20.6
445.39236	0.9
630.73041	1.0
649.43195	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48240	0.3
55.05502	0.3
56.05007	0.4
58.06339	0.4
58.06602	0.6
60.08158	6.8
67.05473	0.8
69.72633	0.9
69.73049	1.3
71.07364	3.6
81.03394	0.3
81.07020	0.5
86.09696	33.2
87.10005	0.3
98.20780	0.6
98.98457	3.0
103.00042	0.3
104.10715	2.1
109.10120	0.3
119.08588	0.3
124.99990	20.4
152.29012	0.3
184.07324	100.0
185.07590	0.7
494.24683	0.3
650.43744	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	651.2802
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
54.35848	0.5
58.57852	0.6
64.58454	0.5
67.05450	0.7
67.68255	0.4
71.43856	0.9
81.06997	0.5
105.01000	0.4
119.97947	0.5
138.77388	0.5
168.08011	0.5
209.10690	1.0
221.10590	0.8
222.11395	0.7
233.10594	0.7
264.83362	0.6
282.54800	0.5
363.16364	0.5
372.14627	0.6
374.16550	0.6
375.16000	0.5
376.16858	0.7
377.17636	1.3
384.14728	0.5
385.14447	1.1
386.15540	1.4
387.16138	1.5
388.17789	0.8
389.18005	0.8
390.18701	1.0
391.19189	3.1
392.19852	2.0
398.15674	1.1
399.16199	3.7
400.16730	5.4
401.13367	0.6
401.17661	6.3
402.18228	1.5
403.19290	1.5
405.21112	2.4
406.21417	1.6
407.22168	5.5
407.38461	0.5
409.14401	0.5
410.15622	0.7
412.17313	1.1
413.17719	4.6
414.18451	7.3
415.19272	14.0
416.19891	2.1
417.20596	1.9
419.18536	1.9
419.23157	0.9
420.19110	0.6
425.17480	1.5
426.18228	0.7
427.14429	0.8
427.20023	2.2
428.15091	0.9
428.20581	4.5
429.15701	0.8
429.21265	12.5
430.21967	4.4
431.18521	2.1
433.20132	2.2
434.20844	2.0
435.21469	3.2
438.19348	0.5
439.19226	1.4
441.17227	2.0
442.17123	2.5
443.18024	4.5
443.22415	6.4
444.18521	7.0
444.24207	1.6
445.20435	4.8
446.20886	1.9
447.17050	2.3
448.22668	0.8
455.18338	1.3
456.19556	2.4
457.20529	8.1
458.21283	6.9
459.18195	2.6
461.19031	2.8
462.20126	1.2
469.16269	1.1
470.16583	0.6
471.22171	12.0
472.23257	8.3
473.19357	7.6
474.20361	4.8
475.17514	1.4
483.18207	0.8
484.18475	2.4
485.19421	4.3
486.20444	10.1
487.21835	3.7
488.21927	2.0
489.19211	3.5
489.23074	2.3
490.19785	5.5
499.21219	15.5
500.22980	5.1
501.19571	2.1
502.19574	2.6
503.24615	6.4
505.22461	1.1
512.18457	0.7
513.19678	0.6
514.19977	1.6
516.21503	3.3
517.22308	16.7
518.19891	0.7
521.25482	2.7
527.20752	4.7
528.21796	1.4
530.23096	1.4
531.23846	20.9
541.22278	1.0
543.23975	1.7
544.20770	1.0
549.24878	12.2
550.25067	0.6
559.23328	100.0
560.23590	4.5
577.24323	0.9
587.22766	16.0
591.26038	2.7
619.25403	72.4
620.25775	2.6
651.28015	24.2
652.28650	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2802
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
55.05492	1.2
67.05488	4.1
69.07059	1.3
69.47630	0.8
71.70614	1.5
79.05481	2.5
81.03391	0.9
81.07053	2.4
91.05448	1.8
93.07016	2.8
95.04972	1.0
95.08610	2.3
105.07021	2.0
107.08584	1.2
109.10133	1.6
119.08568	2.5
121.10107	2.0
131.08534	1.3
133.10094	1.3
143.08531	0.9
145.10106	1.3
147.11649	1.0
157.10031	1.0
171.11685	1.0
200.08759	0.9
203.10635	0.9
378.92191	0.9
384.14099	1.0
387.16287	0.9
390.19308	0.9
391.19147	2.7
399.16025	1.7
400.16727	2.8
401.17520	2.5
402.18356	1.3
407.22290	2.7
413.17465	3.8
414.18420	4.9
415.19214	9.1
416.20288	1.2
417.20908	1.1
423.94611	1.1
425.17618	1.4
427.19525	1.5
428.19806	2.8
429.21045	8.2
430.21381	3.0
433.20151	1.2
435.21628	1.8
439.19083	1.2
441.16870	1.1
442.17896	1.3
443.18121	3.2
443.22440	4.1
444.18521	4.2
445.19971	2.5
446.21066	1.4
456.19400	1.7
457.20313	5.1
458.21085	4.2
459.17822	1.2
462.20612	1.2
470.16125	0.9
471.22110	7.1
472.23138	5.0
473.19522	5.4
474.20383	2.6
484.19016	1.2
485.19824	2.3
486.20361	6.8
487.21140	2.0
489.23047	1.0
490.20169	4.3
490.26068	0.9
499.21255	10.8
500.22028	2.1
503.24500	4.8
513.18884	1.0
514.20233	1.7
516.20764	1.1
517.22198	6.2
521.24866	1.2
527.20673	2.5
531.23969	13.2
539.37390	1.0
543.24011	1.5
549.24628	3.7
559.23340	100.0
560.23578	4.0
587.22839	17.4
619.25385	94.1
620.25452	2.8
651.27814	13.8
651.44220	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	16.0
53.11255	1.9
55.01868	13.3
55.05270	2.9
55.05505	32.9
57.03426	20.4
65.03919	4.8
67.05494	70.3
69.03415	29.2
69.07062	13.2
69.95716	16.1
71.04989	12.6
73.02876	2.4
73.06561	2.4
77.23617	2.2
79.05481	96.9
81.03403	86.9
81.06606	4.4
81.07041	59.8
83.01321	7.2
83.04964	36.9
83.08617	17.1
85.02896	18.6
85.06511	6.6
91.05465	83.5
91.06037	4.6
93.07027	100.0
95.04953	34.8
95.08585	33.8
96.95342	2.5
97.02879	23.7
97.06514	13.5
97.10165	7.0
99.04429	9.0
103.05461	3.1
105.04526	3.2
105.06335	3.7
105.07014	56.8
107.04931	31.9
107.08575	35.8
109.02882	19.3
109.06496	16.9
109.10120	9.7
111.04411	17.6
111.08044	7.6
115.05452	6.7
117.07001	26.4
119.04924	4.3
119.08556	41.6
121.06478	10.7
121.10095	16.9
121.66711	2.4
123.04379	2.6
123.08066	11.9
125.09563	4.0
127.03895	15.4
128.06195	6.4
129.05510	4.4
129.06975	28.9
131.03374	2.6
131.04933	2.9
131.08546	24.3
133.06418	6.8
133.10118	16.1
135.08022	6.4
135.11668	15.8
137.09595	3.6
141.06938	3.6
143.08548	16.8
145.06479	8.8
145.10074	34.5
147.04323	6.8
147.08026	5.7
147.11667	35.5
153.12730	13.4
155.08543	3.3
157.06514	4.9
157.10107	5.2
159.07990	6.3
159.11638	6.0
161.09607	5.6
161.13277	13.7
163.11156	27.5
167.08553	3.1
171.08014	3.0
171.11667	35.0
173.09549	8.8
173.13208	2.8
175.14665	2.4
181.12221	12.3
189.11256	3.2
189.12677	13.4
191.10672	11.1
195.11526	2.4
207.13770	28.8
209.11682	10.7
223.14810	4.4
227.12668	26.0
227.14481	2.7
245.15311	3.0
251.14468	2.7
257.15250	2.4
259.16931	4.9
265.14227	5.0
269.15256	7.2
281.17413	55.1
283.15332	44.2
287.16306	15.4
289.14368	3.0
320.94711	2.6
351.17905	2.7
353.15872	9.4
361.31390	2.7
425.21524	8.6
427.19562	16.1
471.27472	13.5
489.28464	40.8
503.30093	3.4
507.29504	2.8
569.31219	6.2
615.30853	3.4
633.32684	34.8
651.33533	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	651.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	4.0
53.03937	16.4
55.01866	19.8
55.05503	34.1
57.03422	19.8
59.04996	4.5
59.76767	3.1
65.03916	4.1
67.05495	58.9
69.03422	30.1
69.07053	15.0
70.43501	13.8
71.04993	17.6
73.00915	3.2
73.06544	3.5
79.05480	97.7
81.03405	94.3
81.07044	63.4
83.01355	5.0
83.04972	40.8
83.08631	15.5
85.02906	19.6
85.06525	2.9
86.28004	3.6
91.05466	88.9
91.06038	4.7
93.07027	100.0
95.04954	34.1
95.08604	41.9
97.02875	17.3
97.06501	12.6
97.10152	7.4
98.20790	3.9
99.04447	11.2
99.08091	4.5
105.04504	3.4
105.07011	55.8
107.04913	26.6
107.08574	47.7
109.02847	16.8
109.06512	12.2
109.10132	10.2
109.12833	3.3
111.04434	21.3
111.08080	8.0
117.07017	22.5
119.04987	4.8
119.08546	41.1
121.06485	8.0
121.10139	19.7
123.04436	4.4
123.08054	15.3
125.06025	4.7
125.09666	6.1
127.03896	15.6
128.06198	5.7
129.05463	7.7
129.06967	27.6
130.07748	3.1
131.04909	5.9
131.08543	25.0
133.06493	4.7
133.10104	21.3
135.08032	6.5
135.11699	19.6
141.06908	4.4
143.08545	13.0
145.06487	8.4
145.10098	34.9
146.05989	3.6
147.04457	4.6
147.08012	9.1
147.11679	48.0
149.09631	3.7
153.12732	13.8
157.06439	3.1
157.10100	6.8
159.08015	6.2
159.11690	5.3
161.09682	5.0
161.13242	16.3
163.11191	34.3
171.07979	6.7
171.11671	32.2
173.09602	8.3
173.13274	6.6
175.14845	3.9
181.12257	12.8
185.09619	3.7
187.14841	5.6
189.11172	4.1
189.12761	10.8
191.10596	16.8
203.10620	3.0
203.14326	3.9
207.13759	36.8
209.11743	10.6
213.16382	4.1
221.15303	4.3
227.12679	26.9
241.15988	4.4
245.15259	5.1
259.16898	7.0
265.14481	4.7
269.15271	4.8
281.17456	57.6
283.15366	45.5
287.16403	12.9
335.14780	3.7
344.10266	3.5
353.16019	11.4
361.20358	3.1
379.20822	3.3
398.15662	3.5
405.31366	4.1
427.19562	22.6
451.31729	5.2
469.32974	11.3
471.27374	8.0
489.28427	35.4
569.30994	4.1
604.48926	3.4
633.32404	38.1
651.33685	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	651.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02482	1.2
53.03942	2.0
54.11368	1.5
55.05506	15.2
57.07062	4.9
65.62051	1.2
67.05489	21.9
67.49436	1.2
67.82787	1.3
69.03421	1.7
69.07050	13.2
69.76153	5.1
69.76578	5.4
79.05476	15.1
81.03397	4.1
81.07051	23.2
83.05001	2.2
83.08603	18.4
85.02884	2.2
86.56451	1.4
89.03895	6.6
91.05449	17.9
93.07030	22.1
95.04945	4.5
95.08588	39.7
97.06508	2.4
97.10163	1.7
99.08070	3.0
105.07011	29.9
107.04951	4.5
107.08576	34.5
108.08893	1.6
109.02888	1.6
109.06502	3.0
109.10146	20.5
115.05461	1.6
117.03371	7.0
117.07011	5.2
119.08558	42.5
119.09410	2.3
120.08879	1.7
121.02869	2.0
121.06480	1.7
121.10112	23.7
123.08057	2.2
123.11672	8.8
127.03919	1.5
127.57616	1.4
128.06186	1.9
129.06992	4.7
130.07780	1.9
131.08553	19.2
133.10115	22.1
135.04399	18.8
135.08002	1.7
135.11673	19.7
137.13246	5.4
139.11104	1.5
143.08571	11.9
145.02818	14.2
145.06465	2.1
145.10117	25.8
147.04382	1.9
147.08034	1.8
147.11656	23.2
149.13232	11.6
151.07605	1.7
155.08530	4.3
156.09334	1.9
157.10118	12.1
159.11664	26.1
161.13252	10.8
163.03880	100.0
163.07544	2.4
163.11136	2.6
163.14807	6.1
169.10138	4.8
170.10881	1.6
171.08078	1.9
171.11678	8.6
173.05913	1.5
173.09572	1.7
173.13213	12.5
175.11093	1.8
175.14798	19.4
177.16359	10.9
179.14316	1.7
181.04921	16.6
181.10081	1.7
181.12221	1.6
182.75563	1.5
183.11662	4.3
185.09671	1.9
185.13225	9.7
187.14781	20.4
189.16338	19.7
191.17926	3.6
195.11734	1.7
197.13226	5.7
199.14799	12.3
201.16351	31.3
203.14319	6.6
203.17984	13.2
205.15878	7.2
207.17418	6.3
209.13231	2.8
211.14766	7.6
213.16281	13.6
215.14296	1.7
215.17908	6.9
217.19403	1.5
219.13702	2.0
219.17410	1.8
221.15248	2.4
223.14804	2.4
225.16284	2.4
227.17903	3.4
229.19537	1.9
231.13771	1.6
231.17442	2.4
233.15367	3.8
239.17920	3.8
241.19446	2.9
245.15375	5.9
247.16939	5.1
249.14825	5.1
253.19537	4.5
255.21095	1.8
257.19156	1.8
259.16968	4.1
265.19553	1.9
267.21088	3.9
269.15460	1.3
271.16992	1.7
273.18738	1.6
291.19818	1.6
297.18399	1.7
299.20004	2.8
307.24191	1.5
313.21481	2.0
327.23093	3.2
335.27368	1.7
353.24673	2.0
363.30240	2.0
389.31946	9.9
391.33743	2.5
407.33075	15.1
409.30905	20.6
425.34070	3.7
427.31866	2.0
435.32507	38.5
453.33710	13.2
489.35046	8.0
507.68726	1.4
633.38416	1.8
651.24292	4.5
651.38684	5.2
652.24847	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
55.05502	2.9
57.07059	0.5
65.03915	2.1
67.05495	3.2
69.03400	0.3
69.07053	2.0
69.67133	2.1
70.80576	0.3
71.04986	0.3
72.15997	0.3
72.60506	0.3
77.79013	0.3
79.05476	3.1
81.03368	0.5
81.06600	0.5
81.07046	6.6
82.59905	0.3
83.04971	10.6
83.08611	1.8
85.06511	0.3
90.16739	0.3
91.05468	15.4
93.07034	6.2
95.04958	2.1
95.07997	0.6
95.08591	9.4
97.06508	0.5
97.10123	0.4
99.08071	1.3
100.90076	0.3
105.07021	7.6
107.08577	11.2
109.06492	1.0
109.10138	4.5
111.08071	0.9
114.01607	0.3
117.06999	0.9
119.04926	30.0
119.08562	11.9
119.09411	0.7
121.06512	0.4
121.10131	5.9
123.08045	1.9
123.11706	1.8
123.81350	0.3
125.09617	2.1
128.06221	0.7
129.06978	0.5
130.07764	0.6
131.08543	6.4
133.10112	6.4
134.67065	0.3
135.08011	0.7
135.11690	2.7
137.09607	0.8
138.90237	0.3
142.07773	0.7
143.08553	2.6
144.09305	0.6
144.58163	0.3
145.10117	8.4
147.04390	100.0
147.11668	6.2
148.04739	1.6
149.09599	0.5
149.13235	2.9
151.11166	0.8
153.09058	0.3
155.08534	0.5
156.09338	0.7
157.10103	3.7
158.10898	0.3
159.08047	0.5
159.11679	7.3
161.13211	4.1
163.07567	1.0
163.11121	0.7
163.14774	1.2
165.05449	4.0
169.10100	1.0
170.10858	0.7
171.11665	3.3
172.12433	0.3
173.09509	0.4
173.13231	6.7
174.13649	0.4
175.14799	4.1
177.16402	1.5
179.14127	0.3
181.10297	0.3
183.11702	1.2
184.12495	0.7
185.13260	4.8
186.13741	0.4
187.14787	7.6
189.12634	0.3
189.16394	2.2
191.14282	0.5
191.17804	0.3
193.15906	0.6
195.11765	0.6
197.13216	1.3
199.14813	5.5
201.16350	8.6
203.14308	4.0
203.17899	0.9
205.12132	0.4
205.15802	2.2
207.17406	0.4
209.13280	0.5
211.14816	1.5
213.16335	3.2
215.14308	0.6
215.17903	1.4
217.15825	2.0
219.13838	0.7
219.17441	2.2
221.15320	2.8
223.14745	0.4
225.16402	0.9
227.17891	0.8
229.15915	0.5
231.17412	1.1
233.15366	1.6
239.17845	0.9
241.19463	0.7
245.15286	1.8
247.16942	1.3
249.14836	2.8
251.17966	0.5
253.19508	0.8
255.20969	0.5
259.16849	1.4
265.19598	0.5
267.21060	1.1
269.22675	0.5
281.22607	0.5
283.20798	0.3
283.24078	0.5
291.21085	0.4
299.19830	0.4
313.21771	0.4
323.27255	1.2
339.23203	0.4
341.28372	2.2
347.27399	0.6
355.26300	0.6
365.28281	0.6
369.27710	0.9
377.32126	0.5
387.30420	1.5
389.31717	0.3
393.27545	1.7
402.52435	0.3
405.31479	8.0
406.31613	0.6
407.33099	0.7
421.30899	0.5
423.32544	4.5
424.32852	0.3
433.30811	2.8
451.32037	4.7
469.33112	9.1
470.33267	0.7
473.80682	0.3
487.34232	0.5
531.35205	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.7
55.05505	4.1
57.07075	0.8
65.03917	2.4
67.05500	4.6
69.07070	3.6
70.06088	0.9
70.06523	3.2
71.05008	0.8
79.05482	4.7
81.07053	10.0
83.04506	0.9
83.04970	12.6
83.08597	3.3
91.04919	1.2
91.05466	19.2
91.06324	0.8
93.07030	11.8
95.04970	3.5
95.08601	13.6
97.02828	0.6
97.06494	1.0
97.10144	0.8
99.08067	2.3
103.05403	0.6
105.07021	12.1
107.08582	17.7
109.06491	2.3
109.10144	7.7
111.08102	1.0
117.06999	2.4
119.04925	31.2
119.08569	18.2
121.06513	0.9
121.10134	9.6
123.04389	0.7
123.08048	2.0
123.11685	3.9
125.09600	3.6
129.06990	2.2
131.08556	8.4
133.10101	9.4
135.04488	0.6
135.11681	4.4
137.09579	1.0
141.06914	1.0
143.08530	5.4
145.10110	16.0
147.04391	100.0
147.11662	8.8
148.04738	0.9
149.09586	1.0
149.13226	3.4
151.07463	0.8
151.11151	1.0
155.08546	1.5
157.10085	6.7
158.10843	1.0
159.11671	11.2
161.13239	6.4
163.07561	1.1
163.11189	1.1
163.14833	2.0
165.05472	3.1
168.09311	0.6
169.10091	2.1
171.11620	4.3
173.13240	8.6
175.14796	6.5
177.16386	1.9
183.11696	2.5
185.13226	8.0
187.14804	12.8
189.16319	3.4
191.10519	0.6
191.17863	1.3
193.15796	0.7
195.11700	0.9
197.13242	2.8
199.14771	8.8
201.16356	11.4
203.14308	5.9
203.17973	2.2
205.15840	3.2
209.13300	1.1
211.14832	2.6
213.16364	8.7
215.14316	1.0
215.17955	2.6
217.15833	2.7
219.13834	1.0
219.17480	2.7
221.15398	1.6
223.14809	1.1
225.16348	2.0
227.17920	1.6
229.15771	1.0
231.17441	1.9
233.15402	3.0
237.16353	1.0
239.17964	1.8
241.19492	1.5
245.15477	3.1
247.16937	1.8
249.14789	3.5
251.17995	0.8
253.19460	2.0
255.21149	1.1
259.17010	1.7
267.21173	1.2
273.22079	0.9
283.20490	0.9
285.22028	0.6
323.27426	0.9
341.24612	0.8
341.28522	1.7
346.88455	0.7
347.27396	0.9
351.27234	0.8
387.30228	2.1
393.27759	1.8
405.31482	15.8
407.32965	2.5
411.28601	0.9
423.32507	6.6
433.31000	4.1
441.33710	0.8
451.32074	8.0
469.33160	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	651.4093
Annotation	Kolokoside A
Peak:m/z	Relative Intensity
52.73258	1.7
53.03938	3.5
55.01853	2.2
55.05499	12.0
57.03410	5.3
67.05495	11.7
69.03405	4.8
69.07055	7.7
69.75961	13.8
71.04985	24.3
75.04459	2.5
79.05481	8.9
81.03388	4.0
81.07045	29.1
83.04970	35.7
83.08619	10.1
85.02892	35.2
85.06529	1.9
86.09699	1.8
91.05456	17.7
93.07030	28.1
95.04935	8.0
95.08588	37.7
97.02885	2.7
97.06533	3.9
97.10120	2.8
99.04429	1.7
99.08071	3.6
105.07017	32.8
107.08575	44.8
109.02831	2.7
109.06492	3.8
109.10143	20.3
111.04417	6.7
111.08052	6.4
117.07002	6.0
119.04876	2.3
119.08559	46.6
121.06531	2.7
121.10114	28.9
123.08028	6.9
123.11708	9.5
125.09625	21.4
127.03834	2.9
128.06203	2.0
129.05450	7.7
129.06964	3.8
131.08540	19.0
133.10098	29.0
135.08026	3.4
135.11655	13.7
137.05956	6.4
137.09550	3.3
137.13245	1.8
139.07483	1.7
143.08568	12.6
145.02840	2.2
145.10110	29.4
147.04404	6.4
147.06456	1.9
147.11655	17.9
149.05879	1.8
149.09601	4.0
149.13255	7.7
151.11143	3.8
155.08569	2.1
157.10065	14.7
158.10938	1.9
159.11682	24.0
161.09618	2.3
161.13237	18.9
163.03894	6.8
163.07332	2.5
163.11208	2.3
163.14812	7.0
164.07034	4.0
169.10106	3.1
171.11649	10.5
173.13232	21.4
175.11217	3.6
175.14796	14.9
177.05487	2.9
177.16292	4.8
181.04987	2.1
183.11668	4.5
184.12396	3.4
185.13251	17.3
187.14804	28.2
189.16335	10.0
191.14339	4.6
193.12550	1.7
197.13258	6.5
199.14809	18.3
201.16357	27.3
203.14343	10.4
203.17970	5.6
205.15845	8.2
206.80392	2.0
209.13329	3.1
211.14748	4.9
213.16309	12.1
215.14211	2.9
215.17862	2.8
217.15854	6.3
219.17403	6.2
221.15283	3.5
225.16190	3.9
227.18013	3.3
231.17459	5.3
233.15274	3.0
233.18832	3.5
239.17888	3.8
241.19495	4.2
245.15382	7.6
245.19086	2.3
247.16841	7.1
249.14658	8.3
253.09761	2.6
253.19505	4.3
255.21039	3.6
259.16882	4.1
261.14609	2.3
267.20914	2.8
281.22690	2.5
341.24612	3.1
341.28339	2.6
355.26532	3.1
387.29935	4.2
393.27808	8.2
405.31442	28.8
407.32950	6.3
411.28979	3.5
421.31116	4.1
423.32495	7.5
433.31149	11.5
451.31995	39.2
453.33243	5.8
469.33093	100.0
470.33636	2.8
487.34323	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1335
Annotation	Luteolin 3'-methyl ether 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
61.12551	0.1
68.99768	0.1
69.03455	0.1
69.71642	0.7
71.01326	0.4
73.02867	0.3
85.02892	1.4
95.01291	0.3
97.02846	0.2
98.21410	0.2
100.67637	0.1
112.25320	0.1
113.02333	0.4
124.33630	0.1
127.94119	0.1
131.03383	0.2
131.62582	0.1
141.01801	1.0
149.05948	0.2
150.96497	0.1
151.03876	0.2
153.01779	0.9
155.10210	0.1
159.02843	0.3
171.02812	0.1
175.03911	0.2
217.46434	0.1
229.04811	0.3
258.05197	15.4
259.05670	0.4
277.06863	0.1
286.04669	40.1
287.05084	0.7
301.07010	100.0
302.07339	2.3
313.06876	0.1
459.08951	0.2
477.03186	0.2
477.10196	3.3
653.13379	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2429
Annotation	Isomartynoside
Peak:m/z	Relative Intensity
50.07181	0.3
55.01839	0.4
57.03426	1.0
58.59274	0.3
69.03432	2.4
71.04981	8.1
71.62860	0.6
73.02876	0.4
79.05470	0.7
81.03397	1.3
81.07034	0.5
83.04964	1.1
85.02383	0.7
85.02892	11.1
89.03895	3.7
91.05466	0.9
93.07019	1.2
95.04946	0.6
95.08583	0.4
97.02885	5.1
99.04443	0.8
103.05464	0.5
105.07037	0.4
107.04934	0.7
107.08580	0.7
109.02856	0.8
109.06427	0.3
111.04417	1.0
113.09585	0.3
117.03362	12.3
119.04920	0.6
119.08588	0.6
121.06482	0.4
121.10122	0.5
123.04422	1.2
125.05975	0.6
127.03861	0.7
129.05443	2.0
131.04936	0.4
134.03568	0.6
135.04414	2.9
135.08032	0.5
137.05965	2.5
138.06235	0.5
145.02831	39.1
145.10043	0.4
146.03197	0.8
147.06499	0.5
149.05960	4.8
150.06721	2.0
151.03891	0.5
151.07458	1.5
153.05444	22.1
153.68745	0.4
163.03883	14.3
163.07587	0.5
165.09154	0.5
166.06209	0.3
167.06895	0.6
168.07802	0.8
169.08051	0.4
175.07472	0.5
177.05446	100.0
178.05804	2.5
179.06984	1.3
181.04898	0.7
181.08604	0.6
183.06512	0.8
184.07291	22.1
186.05452	0.8
189.05351	0.4
193.08615	0.4
194.15768	0.3
195.06477	1.7
203.07054	0.4
235.09616	0.7
247.09738	0.4
249.11046	0.4
259.09610	0.9
277.10660	0.8
277.45602	0.4
287.09128	0.6
305.10049	0.7
307.08060	0.4
321.09473	0.8
323.11270	2.2
325.09149	3.8
339.10703	12.5
508.15381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2596
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
55.05494	3.7
57.03410	1.3
57.07065	1.8
65.76427	1.0
67.05511	6.5
67.60434	1.0
69.07059	3.5
71.08620	1.4
71.72292	2.2
75.99252	1.0
76.21807	1.0
79.05479	5.2
81.03407	3.0
81.07048	7.2
83.04971	1.7
89.30806	1.1
91.05489	3.4
93.07028	3.5
95.08605	4.4
105.07019	4.0
107.08585	1.5
109.10146	2.3
117.07037	1.6
119.08563	3.4
121.10116	2.2
129.06979	1.6
129.86661	1.1
131.08566	1.7
133.10121	3.1
141.06958	1.2
143.08569	1.4
155.08575	1.3
167.08592	1.3
183.11725	1.4
184.20042	1.5
219.39301	1.0
257.34534	1.4
338.12863	1.4
367.23178	1.3
368.14053	1.4
372.13577	1.3
375.15976	1.7
376.17126	2.2
377.17603	1.6
389.17825	2.4
390.18634	3.0
391.19162	8.2
396.12665	1.6
401.17642	2.1
403.19666	1.5
404.19946	2.0
405.20712	8.2
406.21396	2.6
412.16763	1.5
417.21051	1.8
419.22269	3.4
420.23154	2.4
428.16266	3.7
433.20206	5.1
435.17853	2.6
436.18820	1.3
440.16052	1.3
447.21796	2.2
449.19733	7.2
450.20465	1.8
451.21429	1.4
459.17960	1.5
461.19357	5.8
463.21698	2.8
464.22049	2.8
465.23126	7.0
473.20047	2.4
475.21231	2.1
477.19022	1.7
479.19934	5.7
487.21387	2.6
489.18808	2.0
491.20615	2.4
492.21381	1.7
493.22327	26.5
501.19305	4.2
505.18582	2.4
506.23117	1.5
507.24139	10.4
515.20874	3.5
516.21545	2.0
517.22400	5.3
519.20117	3.2
523.23285	3.2
533.21808	4.6
537.24615	8.5
538.26093	1.5
547.23254	1.3
549.25061	2.4
551.22852	21.8
552.23328	1.8
561.21747	7.3
565.24335	18.2
566.25177	100.0
567.25433	4.4
575.22638	3.7
593.23901	44.4
594.23376	3.3
621.23346	21.9
625.26245	10.7
635.24738	10.3
653.25952	79.6
654.26447	4.5
663.57153	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2595
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
52.81588	0.8
55.05494	0.8
57.07070	0.8
69.46974	7.7
81.07039	1.2
86.09673	0.8
91.05476	1.0
95.08580	1.0
98.20638	1.8
100.18710	0.9
117.06979	0.7
124.26453	0.7
135.67250	0.8
144.08058	1.1
184.07428	1.5
195.09048	0.9
196.09868	1.1
197.10660	1.7
217.61980	0.8
221.10677	1.4
225.10284	1.1
237.10170	1.1
239.11896	0.9
249.10258	2.2
269.03296	0.8
312.14749	1.0
314.12741	1.4
328.14517	1.1
340.14401	1.6
352.14529	1.2
362.15652	1.0
363.16049	3.5
368.13910	1.4
370.15582	1.8
375.16156	2.6
376.16837	2.2
377.17563	10.3
378.18469	5.4
384.13452	1.1
389.17847	1.8
390.18222	4.5
391.19211	12.0
392.15506	1.1
392.19913	6.2
393.20831	5.6
396.13214	1.1
401.17844	1.7
402.18503	1.5
403.19034	3.4
404.20343	1.8
405.20990	9.9
406.21432	3.2
407.22321	13.9
410.19180	1.0
413.17731	1.2
414.13846	1.1
415.19189	1.9
416.16248	1.2
417.20657	2.4
418.22067	1.0
419.17950	2.2
419.23288	4.8
420.18646	1.5
420.23599	1.5
421.20490	9.2
422.17383	2.3
430.17758	1.4
431.18570	2.9
433.20395	3.5
434.21112	3.7
435.21841	17.3
436.22568	3.3
437.19528	3.9
445.20184	2.7
447.21982	5.5
449.19577	1.8
450.20303	1.2
451.21555	6.1
458.17371	1.5
459.18118	3.8
461.23398	3.2
462.24222	2.8
463.20392	1.4
463.25818	1.7
465.18878	10.8
466.19843	4.5
473.20053	4.5
474.20230	2.8
475.21176	2.3
477.19037	1.4
479.20642	25.5
480.21646	2.8
487.21240	3.1
489.18826	2.5
489.23364	2.9
492.21600	1.9
493.26767	1.8
501.18799	6.8
502.20126	2.8
503.20377	1.0
505.17932	7.5
506.19284	1.2
507.23553	1.8
515.20789	7.6
516.21588	3.7
517.22327	34.1
518.22559	2.0
519.24005	1.5
521.25336	8.5
522.25934	4.8
533.21979	2.9
537.25616	5.6
547.23285	3.6
549.24908	41.3
550.25684	1.4
551.22668	10.7
565.24335	7.3
566.25134	31.8
567.25525	1.1
575.22949	13.1
576.23712	2.6
579.24756	1.1
593.23828	21.3
594.24756	2.5
607.25281	7.5
609.27051	10.0
621.23566	1.4
625.26453	2.7
635.24890	100.0
636.25330	3.5
653.25934	76.0
654.26331	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	0.7
67.05489	1.4
70.37000	2.6
76.35199	0.6
79.05466	1.2
81.03398	1.1
81.07063	1.7
93.07039	0.9
94.80609	0.6
95.08588	1.3
97.06531	0.8
99.36499	0.7
104.21539	0.8
105.07047	1.1
118.06564	0.8
120.08080	1.1
126.09158	0.7
138.05473	1.5
139.27130	0.8
171.62505	0.8
194.08255	0.9
196.09933	1.0
196.97160	0.7
197.10667	1.1
204.06509	0.9
208.09821	1.2
209.10785	2.6
210.11502	1.5
211.12349	1.8
221.10687	1.2
222.11575	1.4
223.08755	1.6
223.12331	3.7
224.13165	1.1
225.10201	1.1
225.13831	5.3
226.14574	1.8
235.08603	1.5
235.12273	1.2
237.10175	1.5
237.13846	2.9
238.14552	0.8
239.15547	1.1
247.12038	0.9
249.10187	3.6
249.13884	1.6
250.11046	0.9
251.08087	1.6
251.11891	1.3
276.16382	0.8
277.09802	1.8
282.10666	0.8
293.09174	1.7
324.11316	1.1
326.12912	1.2
328.14447	0.9
337.11972	2.3
338.12787	1.1
342.16302	1.2
351.14182	0.9
352.14255	0.9
366.16074	1.9
374.62451	0.8
377.18066	0.8
394.15210	1.1
396.13208	1.4
401.17871	2.6
402.18738	1.8
403.19247	1.6
405.20728	1.0
411.15842	0.9
412.16351	1.6
413.17642	1.0
415.14932	1.7
415.19672	1.9
416.15802	1.8
416.20712	1.1
417.16476	1.6
417.20911	2.6
427.18640	0.8
429.16681	4.4
430.17740	1.6
431.18533	3.4
431.22867	2.4
432.19507	1.3
433.20236	1.0
435.22049	1.3
443.18845	3.4
444.19403	2.1
445.20276	4.5
446.20801	5.4
447.21921	5.0
449.19595	1.2
454.17914	1.8
459.22125	8.8
460.22409	2.0
471.18311	1.4
472.19003	2.1
473.18912	1.8
473.24393	1.4
474.19980	1.3
475.21011	3.9
476.22128	1.1
487.21378	12.8
488.22009	1.7
489.23080	1.2
501.23288	4.2
502.23721	1.6
503.20483	1.6
515.20807	2.3
518.23248	1.3
519.24298	4.2
529.22223	3.6
531.20471	1.1
532.23743	1.0
533.25995	4.8
534.22992	1.2
546.22766	0.9
547.23517	3.4
561.24921	100.0
562.25244	5.6
589.24500	10.0
592.26141	4.0
593.30884	2.2
621.27002	91.1
622.27557	5.2
635.27496	1.0
653.31421	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	653.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01754	0.8
61.59552	0.8
63.74193	0.9
69.66785	2.4
69.67205	4.7
73.94214	0.9
79.05463	0.9
81.07039	1.5
91.05472	1.1
107.08549	0.9
109.10123	1.2
112.45517	0.9
115.10103	0.8
119.29951	0.8
120.08136	1.2
126.45079	0.8
207.09169	1.7
208.09918	0.9
209.10675	1.4
210.11510	2.1
211.12257	1.8
221.10666	1.4
222.11575	1.8
223.12332	2.4
225.13809	5.0
237.10381	1.1
237.13863	4.0
239.15384	1.9
249.10263	2.5
249.13802	1.9
263.08435	1.0
275.15198	1.2
277.09637	1.4
293.09286	1.2
301.12057	1.0
337.12024	1.5
351.13513	1.3
352.14273	1.4
356.17740	1.0
366.16125	1.9
380.13876	1.1
385.14120	0.9
401.17822	1.6
415.15042	1.4
416.15863	1.6
417.16821	2.3
418.21967	1.3
429.16824	2.7
430.17966	2.8
431.18192	3.2
431.23181	1.5
433.20145	1.2
443.19073	2.2
444.19693	2.1
445.20157	3.3
446.21060	4.3
447.21747	4.5
454.17789	2.0
457.15942	1.2
459.22330	5.9
460.22409	1.8
471.18039	2.0
472.18683	2.1
473.23697	1.7
474.20062	1.1
475.21179	3.5
487.21378	10.6
488.21478	1.2
501.22507	3.7
503.20764	1.6
504.21448	1.5
515.20740	2.7
516.21399	1.2
517.21399	1.1
518.22772	1.5
519.23730	3.8
529.21985	3.6
531.20074	2.5
533.25659	4.8
534.22968	2.1
546.22534	1.2
547.23358	3.7
560.37726	1.1
561.24915	100.0
562.25568	5.5
589.24268	8.0
621.27014	81.2
622.27063	5.7
635.24640	3.3
653.27380	1.2
674.23401	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09943	1.4
60.85104	1.4
61.10275	1.6
71.21277	4.2
120.08090	1.8
211.12207	1.6
223.12407	1.8
225.13875	3.6
226.14816	1.7
237.13908	2.4
246.99754	1.5
249.13962	2.0
279.28571	1.7
285.01047	1.5
297.68433	1.5
380.79163	1.5
436.22311	2.6
437.23547	3.6
457.20050	2.3
461.19702	2.4
462.20883	1.8
463.21335	3.3
473.23923	4.0
474.20807	3.3
475.21378	3.9
485.19858	1.8
487.21231	6.6
489.22983	2.4
491.20532	13.3
492.21542	3.7
500.21829	6.2
501.19125	8.0
501.22662	7.1
502.23276	1.7
504.21405	3.4
515.20740	2.3
517.22021	3.2
518.23077	2.3
519.23505	6.7
528.21320	2.7
529.22278	6.2
544.24713	3.3
550.25549	2.9
551.26611	9.6
560.24176	14.0
561.25256	1.9
575.26501	11.2
576.27185	1.9
579.26318	1.6
588.23694	5.6
603.26251	7.1
635.28534	79.0
636.28949	4.1
638.26947	2.4
653.29590	100.0
654.29858	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	653.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21209	0.6
64.50423	0.6
70.14799	2.5
70.15226	1.3
70.94183	0.6
76.16700	0.6
99.59246	0.6
100.65232	0.6
109.29945	0.6
116.40961	0.5
151.36220	0.6
192.08910	0.6
223.12279	0.9
349.80377	0.7
374.83667	0.7
390.18445	1.2
391.19110	0.8
400.19867	0.8
402.21820	0.8
404.19775	0.7
405.20731	3.3
414.21735	1.2
417.21191	1.2
418.21387	0.7
419.22162	2.4
420.22891	2.0
433.24063	3.6
434.24551	1.8
446.24838	0.6
447.21198	2.1
447.25970	1.8
448.26266	1.3
449.19736	1.9
459.22397	0.7
463.21121	2.1
464.21979	2.0
465.22763	2.3
474.24603	0.6
475.21292	2.4
477.22742	1.5
478.23856	2.9
479.24335	40.0
480.24808	2.3
487.21237	4.8
488.21875	0.8
491.20435	2.3
491.25061	1.6
492.25598	1.1
493.25879	2.1
501.22937	4.2
502.23511	2.5
504.21255	0.7
505.26004	1.1
506.26965	1.1
507.27435	24.0
508.28174	0.8
517.23450	1.0
519.24115	3.4
529.22504	0.7
533.25702	5.9
534.24573	1.3
536.24023	1.0
537.24847	12.9
551.26453	38.6
552.26831	1.5
561.24939	8.5
562.25592	1.2
563.22888	2.0
565.28027	22.6
566.28784	100.0
567.29333	4.2
575.26349	1.8
576.25317	0.8
578.24762	1.4
589.23840	0.8
593.27484	14.5
603.25897	1.0
606.25702	0.8
621.26984	18.7
625.30560	0.9
635.28833	5.0
653.29596	99.6
654.29663	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	653.296
Annotation	Haplophytine
Peak:m/z	Relative Intensity
67.01982	0.8
69.38195	8.9
74.27032	0.8
100.35135	0.8
104.17406	1.0
151.42061	0.9
354.77640	0.9
377.17584	1.5
390.18317	1.3
391.19162	5.9
392.19998	1.5
394.67590	0.8
404.20383	2.0
405.20779	10.1
406.21460	6.0
407.22113	1.4
419.22327	2.6
420.23206	5.6
421.23761	11.0
422.23923	1.0
433.20151	2.7
434.24811	1.3
435.17996	1.3
436.18863	3.0
445.20139	2.0
447.21542	1.5
450.20657	2.7
451.21167	2.0
452.22226	1.8
460.22760	2.0
461.23102	1.2
463.20923	1.6
464.22299	1.4
465.22842	37.5
466.23264	3.5
473.19595	2.4
474.20517	1.4
475.25507	1.4
478.23337	1.1
479.24469	6.9
480.25064	4.2
487.21301	2.1
488.22198	4.0
491.21005	2.4
492.21783	2.7
501.22876	1.8
502.23868	1.1
503.24408	47.9
504.24762	3.6
505.22040	1.0
507.27759	3.6
535.27014	42.1
536.27441	2.7
551.26422	5.1
561.25043	4.0
566.28656	1.4
579.25946	41.6
580.25940	4.1
589.24115	1.1
593.27429	2.8
594.28314	20.9
595.28479	1.4
621.26959	28.0
622.27075	2.6
653.29620	100.0
654.29761	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	653.2959
Annotation	Haplophytine
Peak:m/z	Relative Intensity
50.06282	2.5
67.05481	2.4
67.14204	2.5
69.60890	19.6
78.16253	2.1
79.05473	2.9
88.89877	2.4
93.07047	3.5
95.08585	2.9
114.32158	2.6
122.52357	2.3
179.11229	2.3
186.78200	2.8
200.69420	2.6
257.19669	2.9
375.16156	2.8
404.20068	3.4
405.20642	3.7
419.22287	5.5
433.19907	4.8
447.21973	6.8
457.24203	3.6
474.20151	3.8
475.21277	7.8
477.19385	3.9
483.21100	3.0
487.21509	5.6
491.20480	14.2
502.23621	5.6
506.27103	4.4
520.12750	4.5
520.55127	2.5
533.25708	3.3
534.26129	10.3
541.39178	5.2
561.24915	6.3
571.22931	6.8
575.26465	27.4
593.27374	5.9
603.25812	9.9
621.27002	59.6
622.28027	2.9
635.28601	59.0
653.18646	6.7
653.29523	100.0
654.29437	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	653.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.3
55.01862	10.7
55.05271	2.7
55.05505	30.2
57.03431	21.9
59.05018	2.3
65.03914	4.7
67.05138	3.9
67.05497	72.0
69.03419	24.5
69.07060	17.3
71.04965	7.6
73.07415	2.0
79.05483	90.5
81.03410	100.0
81.07049	66.4
83.04972	45.5
83.08613	22.9
85.02901	23.4
85.06523	7.0
91.05471	84.8
93.07034	85.3
95.04954	42.3
95.08591	30.7
97.02885	16.4
97.06519	12.3
97.10165	4.8
99.04441	4.4
99.08099	3.6
101.02337	2.4
105.06334	3.6
105.07018	58.6
106.71540	2.4
107.04962	16.5
107.08594	25.3
109.02866	12.2
109.06490	11.1
109.10136	7.6
111.04423	12.2
111.08053	7.9
113.05965	2.2
115.05453	5.1
117.07005	15.8
117.93304	2.2
119.08562	41.0
121.06477	8.4
121.10080	12.7
123.08030	8.6
125.09567	3.4
127.03897	8.4
128.06218	7.0
129.05464	6.7
129.06989	29.9
131.08537	20.9
133.06467	4.7
133.10115	21.1
135.04478	2.2
135.11664	3.7
137.09561	4.0
141.06949	4.1
143.08557	15.7
145.06474	6.8
145.10112	17.4
147.08037	7.4
147.11670	44.2
149.09615	6.9
154.07703	2.7
155.08566	2.5
157.10075	18.0
159.08017	4.1
159.11729	3.1
161.09657	3.5
161.13249	8.6
163.11169	4.9
165.12758	3.3
167.08553	5.0
171.08015	2.5
171.11676	25.9
173.04453	3.9
175.11169	14.2
181.12228	4.2
185.13205	2.3
189.12723	12.8
193.12227	37.8
207.13786	29.1
211.11270	2.5
211.13278	49.6
225.14745	4.6
227.12575	4.4
229.14122	3.4
241.15866	3.4
249.14728	2.2
259.16995	2.4
267.15869	31.3
269.15527	4.5
281.17447	78.7
285.16971	20.8
286.04422	2.8
287.16425	10.1
331.08054	2.8
355.17480	3.5
411.20221	2.8
425.21655	4.1
429.21240	11.3
443.98477	2.1
444.05344	2.5
473.28983	55.8
474.29169	2.3
491.30035	32.5
539.10541	2.4
553.31274	2.9
635.34253	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	653.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.9
53.03932	14.2
55.01863	12.3
55.05502	36.5
57.03427	20.5
59.04984	2.0
64.37622	1.7
65.03918	7.4
67.05137	4.0
67.05497	72.8
69.03423	26.9
69.07059	19.9
70.90498	4.7
71.01340	3.5
71.04982	12.3
73.02889	3.2
77.03940	2.1
79.05483	89.2
80.05819	2.1
81.03405	100.0
81.07044	69.3
83.04967	39.8
83.08607	26.2
85.02887	29.7
85.06519	5.4
89.03893	3.0
91.05462	95.1
93.07028	87.7
95.04956	53.1
95.08018	2.3
95.08598	35.6
97.02874	23.3
97.06513	21.2
97.10147	8.7
99.04426	8.2
103.05453	4.0
105.06333	3.6
105.07018	65.5
107.04943	23.9
107.08572	29.3
109.02854	14.9
109.06515	13.0
109.10144	16.7
111.04415	13.4
111.08064	12.5
113.05964	3.5
115.05434	6.1
117.03336	3.8
117.07013	20.6
117.99989	1.9
118.65080	1.8
119.04932	2.7
119.08561	39.3
121.06474	9.5
121.10125	17.7
123.04393	3.4
123.08076	10.1
123.11679	3.4
125.09599	5.7
127.03890	13.5
127.07581	2.5
128.06197	4.4
129.05452	8.0
129.06981	31.3
131.04893	5.3
131.08565	20.4
133.06471	7.4
133.10104	23.0
135.04396	13.0
135.08041	3.6
135.11665	7.7
137.05951	5.0
137.09575	4.4
139.35977	2.0
141.06966	5.4
142.07736	4.5
143.08531	12.5
145.02826	6.6
145.06464	5.0
145.10106	18.5
147.04398	5.3
147.08044	6.4
147.10573	3.1
147.11674	45.0
149.05965	3.1
149.09593	8.3
153.12717	4.6
155.08511	3.1
157.06418	5.0
157.10123	19.0
159.08006	4.1
159.11647	5.3
161.09552	5.5
161.13187	12.7
163.03886	63.8
163.11162	11.5
165.09132	4.3
165.12701	2.6
167.08522	2.3
169.10049	4.1
171.08084	3.7
171.11671	26.9
173.04456	4.2
173.05875	4.4
173.09615	6.8
173.11809	2.0
173.13182	2.3
175.07535	2.2
175.11136	12.6
175.14952	2.1
181.10092	2.9
181.12228	5.6
183.08018	2.6
183.11714	2.0
184.07373	2.3
185.09517	3.7
185.13220	3.5
187.14688	2.0
189.05435	2.1
189.09045	2.4
189.11256	2.5
189.12726	15.1
191.10590	5.2
193.12198	40.8
195.07904	2.6
197.09517	2.1
203.10716	2.3
207.13777	30.3
209.11650	6.0
211.11226	3.6
211.13237	44.8
213.09103	3.0
215.10608	6.0
223.14888	3.4
225.14938	4.2
227.12703	12.5
229.14261	3.5
230.14526	2.1
233.11588	3.4
241.16025	2.3
249.14818	2.5
255.16093	2.0
259.09518	4.2
267.13275	2.7
267.15918	34.0
269.15353	3.0
281.17432	79.7
282.17755	3.0
283.15405	5.1
285.16922	15.4
287.16367	8.1
295.49518	2.3
301.06995	8.1
311.16403	2.8
329.17459	4.0
339.64139	2.2
355.17557	3.6
425.21387	3.2
429.21063	12.8
473.28903	58.9
474.29071	4.6
491.30005	29.3
571.32507	3.0
635.34210	29.9
636.33960	2.3
653.32666	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	653.3523
Annotation	Withanoside III
Peak:m/z	Relative Intensity
53.03946	12.7
55.01851	8.3
55.05506	23.8
57.03432	15.7
65.03915	3.7
67.05495	55.7
69.03429	17.5
69.07050	12.4
70.95269	4.6
70.95631	4.2
71.04974	8.0
79.05486	71.1
81.03406	100.0
81.07044	54.4
83.04977	41.4
83.08609	23.8
85.02904	18.4
91.05469	83.4
91.06039	4.3
93.07034	69.5
95.04956	40.4
95.08595	26.4
97.02887	15.8
97.06510	5.4
97.10158	8.6
97.24612	2.0
99.04431	4.9
99.08099	2.8
105.07011	47.2
107.04943	11.6
107.08592	22.4
109.02866	9.4
109.06489	8.5
109.10124	6.4
111.04445	12.0
111.08042	9.8
115.05389	4.0
117.06978	15.2
119.08572	31.0
121.06492	4.7
121.10117	12.0
123.08047	8.1
123.11656	3.3
125.09645	2.7
127.03864	8.4
128.06221	5.5
129.05486	4.8
129.06990	27.5
131.08539	16.9
133.06488	4.7
133.10107	17.6
135.11685	4.6
135.81749	1.9
141.06958	3.5
142.07771	4.9
143.08530	9.3
145.06454	3.4
145.10123	11.2
147.04318	2.6
147.08012	5.4
147.11676	45.1
149.09619	3.9
152.95943	2.1
157.10115	17.9
161.09593	4.2
161.13295	10.2
163.04037	2.3
163.11078	2.4
165.12708	4.9
167.08583	2.7
171.11646	24.0
175.11151	12.3
181.12132	4.3
189.12714	10.0
193.12222	39.5
207.13780	23.5
209.49884	2.4
211.13266	48.3
220.57762	2.2
225.14795	3.7
227.12704	4.7
229.14273	2.7
249.14874	3.9
267.15897	38.3
267.72058	2.0
269.15363	3.1
281.17465	65.9
285.16925	14.8
287.16400	3.6
355.17438	6.0
411.19977	4.3
429.21249	22.7
468.39630	2.5
473.28943	96.3
491.30103	31.6
508.71988	2.6
635.34253	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	653.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.1
54.19583	1.9
55.01863	13.8
55.05502	33.5
55.60711	2.0
57.02407	2.7
57.03431	20.8
57.07066	2.8
65.03932	5.8
67.05499	72.9
69.03420	30.6
69.07063	17.5
71.01339	3.3
71.04980	8.1
71.70213	4.0
73.02906	3.3
77.03912	2.9
79.05482	86.4
81.03409	100.0
81.07047	59.8
82.07410	2.6
83.04974	38.6
83.08607	23.2
83.23746	2.2
85.02897	24.5
85.06522	3.2
86.03241	1.9
87.24943	2.3
89.03923	3.2
91.05469	90.6
93.06428	3.9
93.07031	77.1
95.04955	43.1
95.08596	32.2
97.02871	20.5
97.06514	22.1
97.10176	7.5
99.04446	6.5
99.08090	4.7
101.02379	3.3
105.07020	62.8
107.04927	19.8
107.08582	33.2
109.02876	12.9
109.06520	14.5
109.10155	14.7
111.03748	2.1
111.04386	10.0
111.08047	11.8
113.05978	3.0
115.05452	5.7
117.03355	5.8
117.07018	15.2
117.93328	2.0
119.04921	4.7
119.08571	43.5
121.06491	10.6
121.10136	18.7
123.04432	6.0
123.08055	10.0
123.11669	3.1
125.05927	3.0
125.09625	3.9
127.03886	16.1
128.06223	7.4
129.05466	7.3
129.06987	30.3
131.04883	2.7
131.08560	21.6
133.06456	5.8
133.10127	24.5
135.04424	11.4
135.08057	6.1
135.11687	6.0
137.05968	2.6
137.09634	4.2
139.11165	2.9
141.06920	3.6
142.07745	2.9
143.08539	10.7
145.02811	8.3
145.05168	2.4
145.06450	6.8
145.10088	15.7
146.72417	2.0
147.04401	3.5
147.08038	8.6
147.11685	41.1
149.09612	8.3
149.13310	2.4
153.12730	4.7
155.08612	3.2
157.06500	3.0
157.10088	12.7
159.08054	3.7
159.10353	2.2
159.11617	5.0
161.09595	5.8
161.13266	11.5
163.03886	66.9
163.11165	10.1
165.09131	5.8
165.12747	4.7
165.56065	2.4
167.08615	4.4
169.06279	2.1
169.10185	2.3
171.08028	5.1
171.11682	29.7
173.04424	3.4
173.05916	2.5
173.13223	3.0
175.11176	13.1
177.12637	1.9
179.14282	2.8
181.12209	4.5
183.11742	2.5
185.09550	3.2
187.07518	2.4
189.09047	2.7
189.11244	3.0
189.12694	11.9
191.10689	3.4
193.12219	35.9
203.10582	3.1
207.13774	31.7
209.11613	2.4
211.11224	4.1
211.13225	35.8
213.09058	3.1
215.07022	2.1
215.10617	4.6
225.14841	3.0
227.12773	9.2
229.14276	4.0
233.11647	2.7
241.08757	2.5
241.15854	2.6
249.14864	2.5
259.09650	6.0
267.15884	29.8
269.15384	4.7
281.17410	72.1
283.15384	4.2
285.16953	12.7
286.04578	2.7
287.16318	6.1
301.07068	7.1
311.16238	2.4
329.17334	3.8
332.55396	2.5
353.16318	2.3
355.17450	4.4
382.60114	2.2
407.21014	2.2
421.23825	2.3
425.21667	5.6
429.21008	11.6
473.28867	50.5
474.29376	3.4
491.30008	21.1
539.02765	2.1
602.69531	2.4
635.34100	27.6
653.34448	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	654.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.05487	0.6
57.03427	1.5
67.05493	0.9
69.03416	2.8
71.01341	0.7
71.04981	5.5
79.05484	0.9
81.03395	2.2
83.04955	0.7
83.08582	0.4
85.02895	7.3
89.03907	3.3
91.05479	1.0
93.07071	0.9
95.04953	0.8
95.08595	0.6
97.02886	5.7
98.03239	0.7
105.07027	0.7
107.04934	1.5
107.08546	0.6
109.02843	0.7
111.04411	0.5
113.02368	0.5
117.03360	5.5
118.03706	1.1
119.04927	0.6
119.08581	0.6
119.62359	0.4
121.10159	0.5
123.04412	5.8
125.05984	0.5
127.03923	0.9
129.05464	1.1
135.04379	6.7
137.05940	1.5
137.76106	0.4
138.06261	0.5
139.03873	0.5
141.05420	0.6
145.02826	16.9
146.03177	3.9
147.04388	0.7
149.05966	1.3
150.06650	0.4
151.03877	0.7
151.05003	0.8
151.07521	0.6
153.05441	100.0
154.05756	2.0
163.03882	54.7
164.04234	1.2
166.06274	0.6
177.05443	31.2
178.05783	13.0
179.06998	0.6
181.04921	1.8
184.07281	84.9
185.07597	1.8
195.06555	0.7
200.17918	0.4
224.98674	0.4
229.75539	0.6
295.22604	0.5
307.08115	0.8
319.61444	0.4
323.11017	0.8
325.09137	16.0
326.09442	0.7
335.85791	0.4
339.10672	3.2
340.11002	2.8
346.12408	0.6
508.16205	1.0
530.16638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01881	0.4
55.05494	0.4
57.03422	1.0
67.05492	1.8
69.03416	2.7
69.07043	0.5
69.55439	2.5
70.06583	0.5
71.04977	3.1
73.65302	0.3
77.03916	0.4
78.93636	0.3
79.05481	1.5
81.03394	1.6
81.07032	1.3
83.04950	0.4
85.02884	4.7
87.46186	0.4
89.03889	2.9
91.05457	1.1
93.07015	1.3
95.04943	1.4
95.08595	0.8
97.02877	5.5
97.06458	0.4
97.10154	0.6
99.04407	0.6
105.03341	0.5
105.07023	0.8
107.04947	2.3
107.08581	1.2
109.02866	1.6
109.10137	0.6
111.04411	0.5
113.99847	0.3
117.03355	4.2
119.08575	0.6
120.08041	0.5
121.10137	0.9
123.04407	7.2
123.07984	0.4
125.06003	0.9
127.03886	0.7
129.05371	0.4
133.02824	0.4
135.04387	11.3
137.05931	0.6
139.03809	0.4
141.05406	0.4
145.02821	8.8
145.10155	0.5
146.03201	0.4
147.04390	1.2
151.03778	0.5
151.04962	0.9
153.05435	100.0
154.05820	1.9
161.13240	0.4
163.03871	81.1
164.04173	1.7
166.06223	1.2
166.08539	0.4
167.07010	0.8
177.05472	1.1
181.04913	2.1
184.07277	87.9
185.07631	1.5
186.05373	0.5
212.14177	0.4
226.58893	0.4
232.19536	0.4
284.89545	0.3
307.08008	1.3
325.09106	16.5
326.09610	0.6
343.53897	0.4
346.12515	2.4
363.12643	0.4
421.25586	0.4
508.15744	2.3
614.99945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.3
65.67491	0.1
68.99780	0.5
69.03405	0.3
69.84811	1.0
70.06570	0.2
71.01334	0.6
71.04952	0.3
73.02895	0.6
77.09956	0.1
79.05508	0.2
81.03401	0.2
85.02894	2.9
89.03903	0.2
95.01311	0.9
95.05017	0.2
97.02879	0.4
99.00815	0.2
103.03906	0.2
104.88654	0.1
109.11739	0.2
113.02329	0.5
117.03354	0.3
121.02824	0.4
123.00772	1.7
123.04446	0.2
127.03934	0.4
131.03378	0.7
133.02834	0.2
135.04393	1.6
137.02316	1.2
137.05931	0.2
141.01811	2.4
147.04366	0.2
151.03885	0.5
153.01802	4.0
159.02841	0.5
161.06055	0.2
163.03911	0.6
165.01794	0.2
169.01294	2.1
173.05952	0.3
201.05417	0.5
203.03296	0.2
205.04942	0.4
215.03331	0.2
219.06662	0.2
229.04924	2.2
229.06975	0.3
245.04491	0.3
247.05942	0.3
257.04398	2.9
258.05109	0.6
259.05902	1.7
260.05664	0.2
261.03879	0.4
271.05978	0.5
274.04611	0.2
275.05447	1.9
285.00766	0.2
285.03903	2.9
286.04669	1.7
287.05292	1.8
288.05319	0.9
301.03668	0.1
301.06979	3.1
302.04077	0.6
302.07275	2.6
303.04929	100.0
304.05295	2.5
327.04605	0.2
345.05991	0.2
346.55463	0.2
442.25095	0.2
479.08014	2.8
655.11261	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2753
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
55.01855	0.4
55.05494	1.1
57.03420	0.4
66.83315	0.3
67.05508	1.5
69.07046	0.8
71.04988	0.4
79.05488	2.0
81.03394	0.4
81.07056	1.9
83.04966	0.4
91.05470	1.7
93.07023	1.8
95.04935	0.6
95.08612	1.2
97.06516	0.6
98.21485	0.8
105.07008	1.3
107.04948	0.8
107.08575	1.2
109.06553	0.4
109.10152	0.5
113.06049	0.4
117.07012	0.6
119.08578	0.9
121.06450	0.3
121.10125	0.9
129.06995	0.5
131.08586	0.6
133.10110	0.9
135.08043	0.3
142.34348	0.3
145.10074	0.5
147.11644	0.5
149.09563	0.4
159.11719	0.4
161.13239	0.3
163.11153	0.4
171.11664	0.4
179.14209	0.7
225.10205	0.3
230.04135	0.4
233.63486	0.3
238.30444	0.3
239.11507	0.3
249.10231	0.3
249.14093	0.4
250.13484	0.3
275.20044	1.4
288.15265	0.5
289.18091	0.6
291.19513	0.8
314.12790	0.3
316.14435	0.3
375.16330	0.4
376.16656	0.7
377.17697	1.1
378.18448	0.5
379.19147	0.5
390.18558	0.6
391.14935	0.4
391.19406	1.8
392.19974	1.0
393.20844	1.3
394.83011	0.3
403.19629	0.4
404.16339	0.7
405.16391	2.6
405.21109	1.0
406.17606	0.8
406.22226	0.6
407.22443	4.7
408.22836	0.5
417.16870	0.5
418.17624	1.9
419.18283	6.1
420.19186	2.2
421.20074	2.0
431.18802	0.7
432.19440	1.1
433.20450	10.2
434.21002	6.2
434.26398	0.5
435.21906	6.3
436.22870	0.6
446.21024	0.3
447.18073	2.0
447.22592	1.0
448.18433	0.6
449.19669	1.9
450.20602	0.5
451.21826	0.4
461.19971	1.3
462.20438	2.6
463.21469	3.5
464.22226	0.6
465.18927	2.2
475.21304	0.9
477.19348	0.4
479.20633	0.6
489.23218	0.8
490.19971	0.3
491.20786	1.3
493.21469	1.6
503.20660	0.5
505.22217	0.9
507.23978	0.5
508.21292	0.7
517.22522	0.7
520.24622	1.2
521.25690	8.6
543.36853	1.8
548.24146	0.8
549.24976	11.9
550.25146	0.7
552.23676	1.0
565.24280	1.5
577.24475	7.5
579.23529	0.5
580.26868	1.5
581.27625	1.8
595.25427	4.8
609.26880	2.5
637.26538	5.1
637.40540	0.7
655.27557	100.0
656.27893	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	655.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
55.05487	0.7
64.62356	0.2
67.05514	1.1
69.07064	0.3
71.08612	0.2
75.04464	0.4
79.05483	0.8
81.07039	1.1
83.04952	0.3
91.05463	0.9
93.07039	0.7
95.04945	0.7
95.08607	0.7
105.07006	0.5
107.04985	0.3
107.08640	0.4
108.59319	0.2
109.10165	0.4
117.06940	0.3
119.08618	0.4
121.97253	0.2
125.09727	0.2
131.08614	0.3
133.10101	0.5
145.10068	0.4
147.11751	0.3
171.11710	0.3
179.14328	0.4
180.31573	0.2
199.12263	0.2
212.62538	0.2
223.95796	0.2
275.20142	0.3
277.21698	0.4
291.19553	0.4
377.17780	0.8
391.19278	1.4
392.19888	0.8
393.20560	0.4
403.19391	0.4
405.16287	2.0
405.20978	1.1
406.17096	0.5
406.22067	0.4
407.17398	0.4
407.22318	5.0
408.22870	0.5
418.17731	0.7
418.22238	0.4
419.18231	3.4
419.23633	0.3
420.18741	1.2
420.24170	0.4
421.19797	1.5
432.19257	0.4
433.15421	0.4
433.20612	4.9
434.20953	5.1
435.21838	8.7
436.22638	0.9
447.17542	1.3
447.22018	2.2
448.18314	0.7
448.23071	0.9
449.19095	2.0
451.21295	0.3
459.22302	0.4
461.19583	1.7
461.24237	0.8
462.20282	5.2
463.21158	4.6
464.21796	0.3
475.21240	1.9
476.22311	1.5
477.22845	1.9
479.20917	1.0
479.25922	0.3
481.25726	0.5
482.26443	0.3
489.22763	1.4
493.22171	0.8
493.26852	0.5
494.22858	0.4
495.24115	1.1
505.21918	0.4
507.20267	0.7
507.24185	0.8
508.24750	2.5
509.25510	2.0
517.22815	0.4
520.25043	0.4
521.25592	12.6
522.25854	0.5
535.24274	0.7
535.27899	0.4
547.26776	0.5
549.24921	21.9
550.25464	0.9
553.23993	1.2
557.38025	0.7
563.26630	3.2
564.27136	0.7
567.26892	0.3
577.24408	1.1
580.24451	0.3
581.27557	3.4
595.29224	9.5
596.29462	0.6
607.28461	0.4
609.27002	10.8
610.27698	0.4
623.28638	1.3
655.31146	100.0
656.31445	4.9
656.41675	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.9
55.01860	14.7
55.05503	23.3
57.03428	15.5
59.04990	2.4
61.02891	1.7
65.03919	2.9
67.05497	39.8
69.03419	28.9
69.06803	1.1
69.07059	13.1
70.06598	1.3
71.01339	2.6
71.04982	11.8
71.70857	1.9
71.71252	1.9
73.02896	2.0
73.16724	1.5
74.69649	1.4
79.05479	37.7
80.05779	1.5
81.03404	100.0
81.07045	44.0
81.58460	1.5
82.03713	2.2
83.01321	4.0
83.04967	49.9
83.08610	25.4
85.02441	2.3
85.02895	23.6
85.06521	4.3
88.91415	1.4
91.04935	2.6
91.05469	37.0
93.07033	36.4
95.04953	31.2
95.08597	16.2
96.41962	1.4
97.02879	19.8
97.06523	12.7
97.10162	9.2
99.04430	8.9
99.08078	2.9
101.02377	2.7
103.05418	1.7
105.07017	24.2
107.04936	12.7
107.08572	20.4
109.02176	2.1
109.02866	24.5
109.06490	9.0
109.10155	11.6
111.04424	28.4
111.08049	15.6
113.05951	2.5
117.06983	10.4
119.08573	22.2
121.06476	4.4
121.10126	16.3
123.04415	3.4
123.08047	6.6
123.11701	2.7
125.06007	1.4
125.09617	7.8
127.03884	16.4
128.06194	2.4
129.05457	11.1
129.06963	13.1
130.07756	2.6
131.08560	16.2
133.10110	13.4
135.04436	3.4
135.08032	3.8
135.11691	16.6
137.05948	3.9
137.09589	3.1
142.07748	2.9
143.08549	3.2
145.04997	1.8
145.06386	2.7
145.10094	17.4
147.04411	3.5
147.08022	5.7
147.11673	16.7
149.09656	7.0
149.13182	2.2
151.07501	1.9
153.12720	12.9
155.08514	1.8
157.10094	10.3
159.11618	2.5
161.13242	2.7
163.03906	9.8
163.11159	29.6
164.04204	3.8
165.09059	4.3
165.12704	5.2
171.11635	1.6
173.04448	3.8
173.05858	2.1
173.09605	7.6
175.11172	10.0
181.12224	17.5
187.15125	1.7
189.11208	3.1
191.10623	16.1
193.12224	36.0
203.10721	2.3
209.11697	11.8
211.11217	3.1
211.13269	64.9
217.12097	1.7
227.12744	37.0
229.14334	2.3
235.13069	1.7
239.01384	1.7
249.14951	3.0
265.14468	2.1
267.15869	13.4
271.13141	1.8
273.14874	2.0
283.15390	32.4
284.15701	1.9
285.16904	12.8
301.16742	3.1
313.16092	2.1
337.16739	1.9
351.23248	1.8
353.15985	7.0
355.17578	2.7
370.65924	1.7
409.18442	2.4
411.20227	4.4
427.19492	4.6
429.20895	4.2
443.27533	1.9
461.29129	3.5
475.26669	9.1
493.27808	36.5
511.28738	5.4
619.30774	3.5
637.32104	14.5
638.32440	1.8
655.32959	7.9
656.23749	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	1.1
53.03941	7.9
54.79138	1.2
55.01872	13.1
55.05503	29.2
57.03427	17.0
57.07074	7.3
57.07310	1.3
59.04976	2.2
65.03910	4.3
67.05497	57.6
69.03423	36.4
69.07054	14.5
71.01327	2.7
71.04979	8.7
73.02914	5.8
79.05019	2.3
79.05482	42.9
81.03406	100.0
81.07043	44.3
81.07439	1.0
83.04967	23.4
83.08604	23.4
85.02895	31.6
85.06542	3.6
87.04446	1.6
90.44167	1.3
91.05466	47.9
93.07027	32.0
95.04959	33.7
95.08591	18.5
97.02875	32.5
97.06527	9.7
97.10145	12.1
98.07326	1.7
99.04456	9.0
99.08057	3.6
101.02345	2.3
103.03897	1.4
103.05428	1.3
105.07014	27.9
107.04929	13.5
107.08582	20.7
109.02870	13.6
109.06500	8.1
109.10136	18.6
111.03751	1.4
111.04434	12.7
111.08066	11.0
113.05967	2.6
115.03905	4.3
115.05465	2.3
117.06999	7.8
118.78886	1.3
119.04896	2.5
119.08565	27.3
121.06503	6.7
121.10123	14.9
123.04386	5.8
123.08049	5.2
123.11683	4.5
125.05988	3.1
125.09625	12.2
127.03899	9.5
127.07535	2.0
127.11191	1.9
129.05469	4.7
129.06978	11.6
131.03355	1.2
131.08546	14.7
133.06467	4.2
133.10110	11.3
135.04413	5.0
135.08034	3.8
135.11646	5.8
137.05933	3.7
137.09563	4.6
139.11151	2.2
141.06927	1.6
142.07787	3.6
143.03340	3.0
143.08586	3.4
145.02917	1.4
145.06459	2.7
145.10112	9.2
147.04456	2.0
147.07999	5.0
147.11665	16.6
149.05908	1.7
149.09608	9.6
152.06082	1.4
153.05420	4.4
153.12703	4.1
155.08473	2.6
157.06503	1.5
157.10103	11.9
159.08009	1.5
159.11713	3.3
161.09543	1.6
163.03920	7.9
163.11148	12.9
165.09064	4.5
165.12720	3.9
167.10606	1.6
169.09999	1.6
171.06567	2.8
171.11639	2.3
173.04488	7.8
173.05864	1.8
173.09570	2.3
173.11725	4.3
175.11154	13.2
177.12692	2.3
181.04883	2.0
181.12257	6.7
183.06459	1.6
189.11208	3.8
191.10635	9.0
193.12222	34.8
199.05977	2.8
199.13214	1.8
203.10713	1.5
205.12149	2.8
209.11679	8.1
211.13272	39.8
217.07051	2.2
217.12151	2.7
223.13316	2.3
227.12753	11.5
229.14270	13.4
230.14523	1.5
233.11832	1.7
235.13239	3.1
241.14461	1.5
247.13202	1.9
249.14743	1.6
255.15892	2.4
267.15887	13.6
283.15439	7.4
285.16998	7.5
289.14453	1.7
307.15405	1.9
337.16449	2.0
353.15714	2.2
411.27536	1.4
421.25735	7.0
427.19675	3.3
427.26819	1.6
439.26761	10.7
456.55075	1.3
475.26755	4.7
493.27896	7.4
500.34586	1.4
511.28546	2.0
581.29828	1.5
583.30536	1.8
619.31232	1.5
637.32202	5.9
655.24542	1.3
655.32794	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77612	0.3
55.01783	0.7
55.05428	0.7
57.03362	0.3
60.14101	0.2
67.05399	1.6
69.06966	0.7
70.04933	0.9
70.05334	0.4
74.57174	0.2
79.05370	1.5
81.03320	0.3
81.06939	1.5
83.04923	0.3
83.08528	0.4
83.09022	0.3
85.06423	0.3
86.57005	0.2
91.05356	1.6
93.06906	1.2
95.04889	0.5
95.08467	0.9
97.06400	0.9
97.10063	0.4
101.33545	0.3
105.06895	1.5
106.91814	0.2
107.04825	0.5
107.08466	0.7
109.06353	0.3
109.10042	0.6
117.06905	0.7
119.08418	0.8
121.10061	0.6
123.07917	0.3
123.11602	0.3
125.09534	0.3
129.06882	0.4
131.08453	0.6
133.09975	0.8
135.11610	0.5
143.08421	0.4
145.09972	0.4
147.11548	0.4
149.10867	0.2
149.13133	0.3
157.10036	0.4
159.11577	0.5
179.14241	0.4
189.11154	0.3
194.86571	0.3
273.18405	0.5
275.20001	1.4
277.21463	0.3
279.67639	0.3
283.63330	0.3
291.19476	1.2
325.29239	0.3
349.23734	0.6
365.23090	0.3
384.12405	0.4
385.14084	0.6
397.12878	1.1
398.13672	2.3
399.14783	0.8
400.16422	3.5
403.15335	0.6
410.13736	0.4
411.09879	0.4
411.14941	1.2
412.15234	4.3
413.16061	1.8
415.13797	0.4
416.14679	1.6
418.17618	1.7
422.13492	0.5
423.14563	0.3
424.15118	0.7
425.16052	1.2
426.17328	2.4
427.17703	10.8
428.15747	3.7
429.11954	0.3
430.16257	1.0
435.14493	0.4
437.16205	0.5
438.16998	0.5
439.17798	0.5
440.14374	1.7
441.19650	0.5
443.12927	0.4
444.14090	0.9
445.18723	0.7
446.16956	2.7
455.17084	18.5
456.17288	1.0
457.14896	0.8
458.15881	1.7
459.16736	3.3
465.15527	0.3
468.14188	0.5
469.18509	0.9
470.16193	0.3
471.16959	1.2
472.17960	0.4
473.18115	0.7
479.13397	0.7
480.14154	0.4
481.14465	0.5
482.15427	1.7
483.16653	30.3
484.17313	1.9
487.16074	5.5
488.16644	0.6
493.14804	0.4
495.16400	0.9
498.15298	0.7
499.16113	4.1
500.16785	0.9
501.17123	0.4
505.16061	0.4
509.17712	1.1
510.19049	0.5
511.16177	2.2
512.13245	0.6
513.17804	1.2
519.16443	1.0
520.17230	0.5
522.15393	0.4
523.15857	2.1
524.16711	0.8
525.14551	0.4
526.14716	0.6
527.15558	41.1
528.16034	2.5
537.17645	2.2
538.18665	2.0
539.19226	0.4
541.19647	0.4
542.21301	0.9
545.38678	0.5
548.17346	0.4
551.18719	0.4
555.18835	0.4
568.18237	0.6
569.20215	1.2
570.20947	0.4
579.18933	0.5
586.20599	1.3
586.68506	0.3
597.19080	0.4
613.22314	0.5
614.19989	1.3
629.22345	36.1
630.22583	2.1
639.42230	0.9
657.21851	100.0
658.22107	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	657.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
81.91968	0.9
87.07566	0.8
100.89233	0.8
107.04941	0.8
120.08089	1.3
125.24415	0.9
132.08037	1.3
144.08005	0.8
154.00179	0.9
154.18509	0.9
158.09663	1.1
221.10597	1.5
229.54073	1.1
231.09099	1.1
233.10783	1.2
237.13855	1.2
238.14539	1.0
247.12352	1.7
251.15475	1.2
258.11636	1.3
259.12509	1.2
261.13943	2.1
262.13818	0.9
273.13632	2.1
275.11636	1.2
275.15201	1.2
287.15335	1.6
288.16058	1.0
289.16650	1.1
300.11334	0.9
300.14969	1.2
316.14395	1.3
325.16226	1.1
326.16751	1.2
328.18097	1.0
337.15424	2.1
338.16522	2.1
340.18036	1.4
350.16589	1.4
351.16547	1.3
352.17999	1.6
353.18906	1.5
354.15939	1.6
362.16354	1.8
363.16077	2.0
364.17563	1.8
365.17868	3.2
366.19293	1.2
375.16345	1.6
376.17307	1.7
377.18011	4.2
378.18918	2.7
379.15009	1.2
379.19370	5.4
380.16623	1.2
380.20990	1.4
381.20685	2.9
389.18097	1.7
390.19205	1.4
391.19580	4.0
392.20239	2.6
393.16946	3.5
393.20892	2.9
394.21994	1.0
395.18082	1.6
395.22623	1.8
405.20587	3.7
406.21533	2.8
407.18405	3.9
407.22385	4.5
408.19199	4.3
409.20172	5.8
417.16901	2.9
419.18759	3.1
420.19580	1.8
421.19785	6.6
421.24728	1.8
422.21143	5.1
423.16531	1.6
423.21732	21.9
424.22141	1.6
426.21600	1.1
431.18127	1.1
433.20184	3.6
434.20880	2.9
435.22195	10.1
436.23248	4.7
437.24011	5.0
438.20175	1.2
442.21310	1.4
446.21115	3.2
447.21942	1.7
448.19376	0.9
449.23123	5.6
450.19183	1.3
450.24103	3.1
451.20654	5.7
452.22171	1.1
454.19733	5.4
461.23630	7.9
462.21021	2.1
463.21289	3.9
464.21976	3.4
465.23312	5.7
466.23865	2.0
467.24869	4.5
468.24765	2.0
469.25363	1.2
476.22186	1.3
477.23114	7.0
478.23352	3.1
479.25031	6.8
480.21985	1.7
481.22214	3.9
482.22943	1.2
491.20181	2.8
493.21207	7.9
494.26099	6.1
495.23605	15.1
496.24515	6.5
507.23541	2.6
508.24731	16.9
509.25641	13.0
510.26352	11.4
511.27142	14.5
516.24603	1.7
519.24048	1.8
521.25488	7.6
522.25568	3.9
523.23010	5.9
525.28217	3.0
526.28748	2.0
536.24634	1.1
537.24933	24.0
538.25751	12.8
539.25885	2.7
549.24634	2.3
551.22949	3.3
553.28503	12.5
554.25403	1.3
555.26099	3.1
565.24591	6.6
566.24713	2.6
570.28430	6.6
581.27527	28.1
582.26123	2.7
583.25507	6.9
595.28833	1.5
596.27484	1.7
597.27014	60.0
598.27832	11.0
607.24615	1.4
613.30133	81.1
614.30542	4.1
625.26471	100.0
626.27069	5.1
657.29089	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	657.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85461	0.8
71.48376	1.6
71.48711	1.0
92.31826	0.8
141.49695	0.8
196.91586	0.8
223.12326	1.1
247.12303	1.3
259.12646	0.9
275.15558	1.0
317.15756	0.9
326.16592	1.2
338.16638	0.9
352.17993	1.1
377.17725	2.4
378.19711	0.9
379.19693	1.0
389.18051	1.3
391.19171	2.0
393.16742	1.6
393.21191	1.8
405.20776	2.3
406.22174	1.5
407.22488	3.2
408.19455	1.7
409.20276	3.9
420.22626	0.9
421.19690	2.1
421.24176	2.4
422.21072	1.7
423.21796	14.7
424.22430	2.1
431.18500	1.3
433.20221	1.4
434.21225	1.1
435.21793	4.4
436.22595	4.7
437.23663	3.7
446.20914	1.0
447.21658	1.4
449.23227	2.6
450.24020	2.7
451.20889	5.1
453.23300	1.2
454.14413	0.9
454.19815	4.1
455.24420	1.3
456.22534	1.8
461.23468	6.7
463.21219	3.1
464.22025	1.6
465.22989	5.3
466.23056	2.4
467.24713	4.2
468.25183	2.4
476.21777	1.2
477.22980	5.1
478.24396	4.0
479.24747	5.5
481.22433	2.6
491.20459	1.5
493.22650	3.0
493.25809	3.0
494.27176	6.9
495.23593	12.5
496.24731	4.2
505.22467	1.5
506.23438	1.1
507.24103	2.0
508.24728	13.1
509.25555	10.6
510.26245	10.2
511.27209	10.0
516.25189	1.1
519.24536	1.2
521.25623	7.7
522.25873	3.2
523.23120	4.5
524.24481	1.0
525.28357	2.9
526.29590	3.8
537.24933	22.1
538.25720	11.7
539.26166	1.8
549.24976	2.2
551.23077	2.1
553.28430	12.0
555.26086	4.5
565.24451	4.0
566.25366	1.9
570.28448	6.6
581.27509	27.9
582.25421	3.1
583.25439	6.7
595.28998	1.9
596.27747	2.0
597.27051	59.5
598.27545	9.4
607.25464	2.8
613.30121	80.3
614.30536	1.8
625.26495	100.0
626.26855	3.9
657.29187	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	657.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40396	1.7
53.03931	5.7
55.01862	6.1
55.05268	2.8
55.05505	29.9
57.03434	12.8
57.07074	1.8
58.47968	2.0
59.79196	1.9
61.02919	4.6
65.03922	4.5
66.25040	1.8
66.61665	1.9
67.05500	38.7
69.03417	20.1
69.07047	12.0
71.04978	12.3
73.02892	4.8
77.03925	2.0
79.05482	36.7
81.03407	100.0
81.07044	46.4
82.03723	3.2
82.07372	2.3
83.04972	37.5
83.08606	23.4
85.02905	30.5
85.06517	4.8
86.09702	2.3
91.03950	2.9
91.05467	44.6
92.05782	2.0
93.07037	31.2
95.04955	35.4
95.08601	21.1
97.02883	21.7
97.06518	10.2
97.10161	8.6
99.04447	7.7
99.08091	3.5
105.07020	35.8
107.04939	13.9
107.08585	18.8
109.02872	12.3
109.06512	6.6
109.10126	9.0
111.04428	16.8
111.08058	15.5
113.05991	2.9
115.05450	3.7
117.06993	7.0
119.04948	3.8
119.08568	30.8
121.06435	5.4
121.10135	15.7
123.04425	3.5
123.08036	7.6
123.11691	4.7
125.05975	3.6
125.09615	5.5
127.03895	11.9
127.07514	2.6
129.05518	11.2
129.06995	17.1
131.08540	20.3
133.06499	5.0
133.10095	18.7
135.08058	3.6
135.11667	6.9
137.05960	5.8
137.09639	3.9
137.13211	2.1
142.07759	4.3
145.10136	7.7
147.04358	3.3
147.08002	6.1
147.11662	24.5
148.12059	2.0
149.09625	7.9
149.13138	2.4
151.11137	2.6
153.05431	3.3
153.12769	2.9
155.08450	2.8
157.10101	19.4
159.11722	3.0
161.05992	1.9
163.03889	4.3
163.11140	8.2
165.09163	4.6
165.12766	6.9
169.10088	2.2
171.11652	2.0
173.09575	3.1
175.07460	2.6
175.11150	16.4
176.11456	2.5
177.05475	2.9
181.12201	3.9
184.07355	3.4
189.11148	1.9
191.10553	3.2
193.12221	58.4
194.12523	3.8
199.11157	2.3
209.11685	2.6
211.11223	4.6
211.13264	88.1
212.13600	3.5
227.12740	8.8
228.12910	1.9
229.14372	4.4
233.15485	2.4
235.13367	2.4
241.48209	2.0
245.15347	2.7
249.14833	2.2
267.15866	28.0
273.14783	2.9
274.49551	1.9
283.15265	2.0
285.16965	23.5
301.14258	3.2
331.08258	2.7
355.17398	4.4
367.22974	3.0
411.20056	4.2
427.28784	1.9
429.21222	5.3
433.33246	2.7
441.33701	2.5
459.27460	9.3
459.33490	2.5
477.28366	13.7
477.35394	4.7
478.28540	2.1
495.29419	22.8
621.32562	4.4
639.33972	10.0
657.33771	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	657.435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85454	4.5
53.03937	12.5
55.01868	55.1
55.05508	37.5
57.01966	4.1
57.03421	9.7
63.22888	3.8
67.05495	100.0
69.03416	6.9
69.07059	58.6
71.08620	5.1
75.51829	4.1
79.05482	63.3
81.03416	15.0
81.07043	80.1
82.07389	5.2
82.46943	4.5
83.04964	16.8
83.08611	20.4
85.06555	8.4
85.28378	4.4
91.05462	68.8
93.07040	59.9
95.01318	8.0
95.04964	25.5
95.08597	51.9
97.02899	6.3
97.06519	74.0
97.10175	18.4
98.20680	10.7
105.07015	79.5
107.04959	24.0
107.08598	28.0
109.06539	10.6
109.10141	30.6
111.08045	9.9
117.06992	29.3
119.08577	50.9
121.06535	7.1
121.10094	21.8
123.08105	8.7
125.09605	10.6
128.06152	6.9
129.07008	19.3
131.08542	38.1
132.90508	4.5
133.06444	8.2
133.10120	41.9
135.08047	11.3
135.11671	10.9
137.09590	7.7
141.06926	6.6
142.07802	6.2
143.08548	13.3
145.10150	32.0
147.08084	8.5
147.11620	23.7
149.09575	14.4
149.13210	8.1
155.08574	13.1
156.09276	4.5
157.10121	19.5
159.10509	4.5
159.11618	24.7
161.13266	5.4
163.11188	12.4
169.10078	9.3
171.11728	13.0
173.13295	13.4
175.11179	8.0
179.14319	18.5
185.13167	5.4
189.11134	6.7
197.13280	6.7
200.58243	4.4
223.13205	9.3
227.12691	10.5
229.14261	6.1
232.52168	4.8
245.18962	5.4
247.20615	5.1
249.14757	4.8
257.19077	7.4
273.18448	9.2
275.20020	80.8
277.21561	10.6
291.19492	80.8
293.21109	9.0
295.20544	7.1
313.21527	7.2
349.23676	26.2
365.23126	41.7
541.35315	9.3
545.38239	15.7
551.52374	4.6
639.42517	87.8
657.43726	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	657.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.6
55.01863	24.6
55.05503	38.7
57.03426	20.8
57.07055	6.1
59.04966	2.2
64.12804	1.9
65.03925	4.6
67.05495	100.0
69.03423	10.4
69.06690	2.8
69.07056	42.3
70.01527	7.8
70.01936	3.7
71.08625	2.4
77.03926	2.5
79.05481	77.4
81.03398	10.1
81.07043	88.0
83.04967	13.8
83.08609	21.3
85.02868	2.2
85.06519	7.4
91.04919	4.4
91.05463	67.8
93.07035	68.4
95.04952	43.2
95.08593	50.9
97.02863	3.8
97.06517	29.8
97.10146	13.4
99.08084	3.4
104.11373	2.1
105.07013	69.3
107.04939	29.4
107.08572	43.4
109.06499	30.8
109.10117	19.7
111.04409	2.9
111.08047	6.2
112.99998	2.3
113.05967	13.3
115.05415	3.8
116.06210	3.1
117.06999	28.8
119.08564	46.8
121.06474	10.2
121.10126	20.7
123.04401	2.9
123.08048	13.5
123.11706	5.9
125.09608	12.0
128.06218	5.2
129.06960	15.6
130.07712	2.9
131.08551	36.2
133.06451	5.6
133.10118	31.9
135.08067	21.3
135.11667	18.9
137.05983	2.6
137.08604	2.3
137.09599	10.1
139.07521	3.2
139.32971	2.6
141.07019	7.0
142.07793	3.9
143.08536	15.4
145.06456	7.8
145.10109	29.5
147.08009	10.8
147.11632	16.5
149.09589	13.6
149.13213	8.6
151.11121	9.0
155.08525	7.9
156.09253	2.8
157.10097	17.7
158.15941	2.3
159.07997	6.1
159.11661	20.4
161.09570	10.4
161.13216	10.5
163.11180	11.7
165.09070	3.2
165.12643	3.7
167.08606	3.1
169.10081	8.9
171.10315	2.6
171.11671	13.6
173.09601	4.3
173.13271	8.0
175.11131	4.2
177.12703	8.5
179.14261	8.5
181.10027	4.6
183.11684	9.0
185.13243	5.5
187.11192	3.0
187.14720	5.0
189.11139	5.9
189.12715	4.5
191.14137	3.1
195.11676	5.0
195.13614	2.3
197.09593	3.0
197.13213	6.2
199.14799	6.7
201.12669	3.5
203.14151	2.6
205.12103	2.6
209.13313	3.9
215.14314	3.7
217.15866	3.0
223.13242	7.2
227.12711	8.4
227.17969	3.7
233.15506	4.3
239.17891	2.8
241.14330	3.2
241.19507	3.6
247.20499	3.1
253.14235	3.0
255.17467	3.7
257.18915	6.8
259.20499	4.3
263.20132	3.1
273.18460	31.1
275.20044	56.7
277.21527	4.2
279.15945	6.5
291.19485	83.9
292.19693	2.4
331.22382	2.7
333.24146	6.6
347.22067	8.4
349.23727	23.8
365.23190	14.5
381.22363	3.3
511.16107	7.0
525.17322	2.4
541.35522	2.9
545.38434	12.1
559.35968	5.0
559.61676	2.5
593.37787	2.9
597.19568	8.3
606.51782	2.7
607.25122	5.8
614.98572	2.9
621.26868	2.8
621.40741	3.5
623.43195	3.7
629.21985	3.6
639.42377	36.6
657.21594	56.5
657.43536	29.1
658.22119	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	658.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.9
55.01827	1.0
55.05491	1.7
57.03426	9.7
57.27029	0.8
58.53790	0.8
59.04982	1.7
60.04509	1.4
61.02907	3.6
67.05478	2.6
69.03419	29.2
70.06561	2.1
71.04967	2.6
71.49783	2.1
72.08130	1.7
73.02897	1.5
75.04471	10.1
77.03891	0.9
79.05477	12.7
80.08665	0.8
81.03397	6.2
81.07040	9.6
82.65305	0.8
83.04963	1.9
85.02386	2.1
85.02892	35.8
87.04458	14.6
91.03930	1.9
91.05466	9.7
93.07029	77.6
95.04949	10.7
95.08578	6.2
97.02240	1.4
97.02877	29.7
97.06503	1.9
99.04436	3.8
101.02311	0.9
103.03960	1.0
105.07035	8.1
105.78464	0.9
107.04970	1.5
107.08574	17.0
109.02840	3.5
109.06493	1.7
109.10140	1.0
111.04428	1.4
111.08075	7.4
115.03917	25.1
117.07000	1.8
119.08576	5.9
121.06501	1.5
121.10126	100.0
122.10421	0.9
123.08103	1.9
123.11670	3.7
125.05951	2.6
127.03893	8.6
131.08524	2.4
133.04945	21.0
133.06465	1.4
133.58757	1.0
135.08014	1.4
135.11681	7.2
137.05962	1.1
139.11151	23.1
145.04919	11.0
145.10083	2.6
147.08058	1.3
149.09586	15.7
150.07555	1.7
153.12663	0.9
157.09993	0.9
163.03909	4.9
163.05960	4.8
163.11107	2.3
167.10661	80.4
168.10893	1.0
173.09668	1.3
185.11710	1.6
191.10620	2.6
209.11662	1.2
225.11192	2.9
233.11772	1.3
241.15555	1.2
259.08081	2.4
277.09088	1.3
281.13818	6.5
293.13696	4.2
295.10193	3.1
299.14822	3.5
308.41794	0.9
311.14838	22.6
325.11356	1.6
329.15921	6.2
479.40994	0.9
552.74530	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.3
55.01863	2.6
55.05504	12.6
57.03423	8.1
61.02915	1.1
65.03925	1.2
67.05494	32.7
69.03419	1.3
69.07054	8.9
71.01338	1.9
71.04977	2.9
73.02930	0.8
73.31468	0.8
79.05482	38.0
81.03408	5.4
81.07047	26.0
82.07391	0.8
83.04981	7.7
83.08601	4.3
85.02892	2.1
85.06520	1.4
91.05468	24.2
93.07030	41.6
94.07365	1.0
95.04954	11.6
95.08595	11.5
97.02884	1.3
97.06535	5.2
97.10168	4.5
97.40685	0.9
98.06831	0.9
99.08083	2.2
105.04510	0.9
105.07022	17.7
107.04960	4.5
107.08584	17.1
109.06528	2.9
109.10136	4.3
111.08091	1.3
117.07014	5.5
119.08562	14.7
121.06496	1.8
121.10117	6.3
123.08069	3.0
123.43804	0.8
125.09604	0.8
129.06992	7.4
131.08534	2.8
133.06529	1.1
133.10094	6.5
135.08037	1.7
135.11679	17.2
137.09673	1.0
143.08516	3.8
145.10103	7.8
146.05905	0.8
146.71330	0.9
147.11661	15.0
149.09631	1.2
151.11281	0.9
157.10152	1.1
159.11620	1.1
161.09616	2.1
161.13258	4.3
163.11177	4.4
171.11679	10.2
175.11235	1.1
181.12155	4.3
189.12733	3.7
195.07416	0.9
207.13765	13.3
209.19884	0.8
225.14816	1.7
227.12904	0.9
230.27310	1.2
255.15886	27.0
257.18716	0.8
274.18887	1.3
275.20016	2.5
281.17432	20.0
291.19458	1.1
349.23822	1.1
366.23093	1.1
451.50641	0.8
461.28937	100.0
462.28992	5.3
513.72485	0.8
640.42493	1.4
658.44092	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2339
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
55.01870	1.0
55.05495	1.4
56.14222	0.6
57.03419	0.8
65.54621	0.6
67.05484	3.3
69.07056	1.7
76.56612	0.6
79.05463	3.0
80.55211	0.7
81.03410	0.9
81.07048	4.2
83.35846	0.7
91.05460	3.4
93.07022	3.7
95.04964	1.2
95.08589	2.7
97.06520	0.9
98.21409	1.2
105.07024	2.4
107.08581	2.6
107.48727	0.7
109.10126	1.5
117.06997	0.8
119.08589	2.7
131.08507	1.0
133.10121	1.7
135.11694	0.8
145.10132	1.5
147.11642	0.9
149.09644	0.8
157.48668	0.6
159.11700	1.1
160.37747	0.6
172.52124	0.5
199.07614	0.9
238.22821	0.6
275.20078	2.9
349.23874	1.4
385.13147	1.9
386.13748	0.8
398.14005	0.7
399.14624	3.3
400.15363	6.7
401.15710	1.5
403.59662	0.6
407.11267	1.0
408.11920	1.2
409.12793	1.3
410.14362	1.8
411.15448	0.9
412.15155	0.8
413.16104	2.7
414.16904	4.0
421.13025	2.4
422.13678	5.5
423.14539	5.3
424.15482	2.0
425.16101	0.9
426.17041	0.9
427.17590	2.1
428.17389	2.1
429.19418	3.8
435.14609	3.3
436.15424	6.2
437.16266	11.3
438.17026	3.2
439.13193	0.8
439.18423	1.0
440.14194	0.8
441.15677	2.0
442.16806	0.7
449.16635	1.5
450.17484	2.9
451.18344	6.5
452.19089	3.7
453.15399	1.8
455.17084	2.3
456.17813	2.3
457.18167	0.9
459.16846	0.8
461.16550	0.8
463.13702	1.1
464.14209	4.0
465.15369	4.0
465.19858	2.6
466.20807	0.9
467.17416	3.5
469.15125	2.0
470.15979	1.8
477.15479	1.2
478.16312	3.7
479.17484	4.0
480.18185	5.3
481.18832	2.4
482.15500	3.5
483.16803	4.8
484.17026	3.1
493.19046	10.9
494.15762	2.7
494.19342	3.3
495.16040	5.3
496.17090	2.9
497.18439	1.0
498.15079	3.6
506.16150	1.7
507.16730	2.6
508.17441	8.1
509.18579	5.1
510.17865	1.0
511.20654	3.0
512.16754	9.4
513.17194	2.2
516.23969	1.8
521.18243	12.8
522.18604	3.9
523.20093	1.0
524.16644	0.7
525.18018	2.0
525.22131	1.3
526.14941	2.0
529.16187	0.7
535.15753	0.8
537.17853	0.7
538.18744	1.1
539.19061	2.6
540.19446	5.0
543.22809	2.9
549.18054	1.6
553.20862	21.6
554.21143	2.5
557.20410	0.8
571.21973	4.5
572.22119	5.5
581.20294	49.7
582.20581	6.1
599.21155	21.0
600.21545	5.0
608.13464	0.7
609.19977	1.6
613.22906	24.6
614.23175	2.9
622.22900	4.6
623.22705	1.1
623.43713	0.9
627.21301	1.0
631.23810	6.4
641.22400	100.0
642.22717	10.3
659.23389	29.6
660.23792	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	659.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80050	1.6
53.03935	11.0
55.01859	7.3
55.05509	21.0
55.40400	1.7
57.03431	21.9
57.07058	3.4
61.02917	83.3
65.03925	4.3
67.05496	62.6
69.03422	36.6
69.07053	18.2
71.01339	4.7
71.04981	5.5
71.08625	4.8
71.28186	1.7
71.71750	3.3
73.02901	24.7
75.04461	2.4
79.05482	47.3
81.03402	29.7
81.07045	68.6
82.07393	1.6
83.01340	2.5
83.04953	9.5
83.08601	10.8
85.02894	100.0
85.06532	3.9
87.04462	4.0
91.03944	59.3
91.05467	34.3
91.06039	2.3
93.07034	47.9
95.04978	11.0
95.08593	45.4
97.02880	74.0
97.06513	9.2
97.10166	5.5
98.93890	1.7
99.04431	14.7
99.08073	4.0
101.02360	6.7
103.03908	7.7
105.07024	32.1
106.31461	1.7
107.04933	7.0
107.08582	29.7
107.26400	1.5
109.02869	13.3
109.06510	7.0
109.10139	20.8
111.04453	3.9
111.08101	4.3
113.05961	2.0
115.03902	8.3
117.05482	2.9
117.07000	12.0
119.08553	20.2
121.06570	1.6
121.10137	21.9
123.08089	3.9
123.11729	7.9
125.09595	3.9
127.03906	36.6
129.05455	4.7
129.07005	4.5
131.08533	14.7
133.10115	17.2
135.08047	2.0
135.11650	14.1
137.09612	2.3
137.13239	1.7
143.08563	4.2
145.04941	24.2
145.10107	16.4
147.11661	13.4
149.09605	5.9
149.13235	10.5
151.11198	3.8
155.08604	2.3
157.10118	4.6
159.11693	9.0
161.13266	7.2
163.05994	7.3
163.11131	3.6
163.14787	4.1
169.10130	2.9
171.06479	1.9
171.11700	4.2
173.13222	6.5
175.14778	2.3
177.12712	1.9
177.16373	1.6
178.85922	1.7
179.14256	10.7
183.06529	6.6
183.11697	3.0
185.13286	3.6
187.14763	4.0
197.13199	2.2
201.07564	4.6
201.16328	1.8
205.15831	2.0
226.63255	1.6
227.12772	4.3
235.16844	1.7
241.19537	2.4
243.21132	3.9
257.19107	2.2
259.20685	3.3
261.22104	13.5
275.20038	14.4
277.21545	7.4
282.17941	1.5
291.19525	2.2
335.25763	59.5
349.23645	8.1
369.24207	3.2
423.14108	3.4
436.15033	3.2
437.15811	5.2
438.16483	2.4
441.19244	2.7
443.27951	5.7
451.17398	2.4
452.18396	2.5
461.28909	3.3
479.30130	6.5
484.16971	4.2
493.18359	2.5
494.15768	2.0
495.16330	2.9
498.15509	3.3
508.17545	2.2
512.16492	4.9
513.16797	2.5
521.18188	9.8
522.16595	4.5
525.17126	5.4
539.18744	3.6
540.19263	6.2
541.19769	2.9
543.36566	4.4
551.19360	3.3
561.37585	13.8
567.18628	18.9
568.18829	4.3
585.20374	2.9
595.17749	14.4
596.17981	2.3
600.21655	6.2
601.21753	2.1
608.21326	2.1
627.20770	39.8
628.20898	13.5
641.43683	2.3
659.23895	2.8
659.36346	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	659.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01877	7.0
55.05508	24.4
56.23578	1.2
57.03437	8.9
57.06797	2.3
57.07071	33.3
65.03921	2.2
67.05135	2.2
67.05499	34.9
69.03422	3.3
69.07060	16.8
71.04983	3.1
71.08628	22.6
71.71877	1.6
79.05485	23.9
79.16461	1.3
81.03400	2.2
81.06602	2.6
81.07048	35.5
83.04973	3.6
83.08614	17.7
85.06542	2.8
85.10168	10.0
89.06017	1.7
91.05466	15.4
93.07035	19.8
95.04966	6.0
95.08597	29.3
97.06526	8.3
97.10155	11.7
99.08060	1.5
105.07020	15.3
107.04952	4.5
107.08591	12.3
109.06507	5.3
109.10159	14.9
111.04419	1.7
111.08033	2.9
117.06994	4.7
119.08607	9.5
121.06505	2.6
121.10139	6.3
123.04504	1.5
123.08051	4.3
123.11681	3.5
125.09622	5.3
128.06238	5.1
129.07004	8.6
131.08533	8.9
133.10144	7.6
135.08057	3.9
135.11693	4.5
137.05980	2.7
141.06981	14.5
143.08580	7.5
145.06499	3.9
145.10107	6.3
147.11678	5.5
149.09641	3.5
149.13240	3.6
151.11172	2.7
152.06207	2.0
153.06967	9.7
154.07826	1.5
155.08548	16.0
156.30263	1.5
157.06441	6.6
157.10269	2.9
159.08035	1.8
159.11703	5.2
161.05978	2.1
161.13200	1.8
163.11217	2.0
165.07024	5.3
166.07661	2.6
167.08533	10.8
169.06474	7.9
169.10170	4.4
171.08009	18.2
171.11687	3.4
173.05951	7.0
175.07573	2.6
178.07820	1.9
179.08527	4.5
179.14342	2.6
181.06471	48.0
181.10031	9.6
183.08047	39.1
183.11568	3.0
185.05978	2.4
185.09592	5.9
186.06757	3.8
187.07478	6.6
189.09189	1.7
189.11073	1.8
191.06993	3.3
191.08566	3.3
192.09328	1.2
193.10101	4.2
194.07277	1.3
195.08034	13.8
195.11720	5.4
196.73410	1.7
197.05920	2.6
197.09608	9.5
199.07530	100.0
200.07904	2.5
201.09079	13.8
202.07726	1.5
205.10126	3.9
207.08041	11.4
207.11636	2.8
208.08862	2.8
209.09605	18.0
209.13162	2.1
211.07509	3.3
211.11188	3.4
213.09039	6.3
215.10490	1.5
219.08069	2.5
219.11635	2.5
221.09586	5.8
221.13243	1.4
222.10283	2.1
223.11174	5.3
223.14749	1.4
225.09108	8.3
227.10646	6.0
227.12712	2.4
231.11911	1.5
233.09570	4.7
237.09085	3.9
237.12747	2.1
237.16336	4.7
239.10730	3.1
239.23711	5.1
241.19536	1.4
247.11267	1.8
247.14806	5.9
249.12839	2.6
251.10831	2.3
253.15901	2.0
257.18951	3.0
265.15884	18.6
269.17520	1.7
275.14279	17.8
275.20096	11.6
277.21597	1.4
281.15237	1.6
283.16953	8.9
291.19617	2.5
293.15347	25.3
295.16748	2.0
301.17917	2.8
311.16391	52.4
313.17972	1.6
313.27344	67.6
321.18387	2.2
325.17993	2.0
329.17444	38.4
335.25836	2.0
337.17966	4.5
341.17490	1.7
349.18024	8.0
349.23901	6.9
367.19019	12.6
367.23697	2.1
367.74689	1.4
385.20105	31.8
403.21179	18.1
413.02036	2.0
543.36700	3.0
561.37524	1.9
623.42761	3.9
641.44141	16.3
659.21729	1.4
659.44672	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	660.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00265	0.4
53.03932	0.9
55.01878	0.8
55.05496	5.3
55.88384	0.4
57.03426	5.6
57.07061	1.8
59.04986	1.9
61.02916	0.8
64.85325	0.4
67.05493	9.9
69.03038	1.0
69.03416	17.3
69.07052	3.3
69.60356	2.2
69.60763	1.2
70.06585	0.7
71.04978	7.0
73.02905	0.7
75.04451	0.6
79.05473	3.2
81.03408	2.9
81.07042	60.7
82.07404	1.0
83.04979	0.7
83.08603	2.0
85.02891	18.2
85.06541	3.4
87.04446	7.9
89.06007	1.5
91.03922	0.4
91.05457	1.7
93.07026	6.5
95.04947	5.0
95.08590	14.6
96.24603	0.4
97.02872	14.5
97.06566	1.1
97.10150	7.9
99.04440	2.6
99.08079	1.8
105.07023	2.1
107.03071	0.4
107.08585	3.0
109.02808	2.0
109.06481	2.1
109.10149	2.7
111.04401	0.8
111.08075	2.3
113.05993	1.3
115.03911	11.4
119.08537	0.6
121.02883	0.5
121.10115	1.6
121.16052	0.4
123.08071	1.0
123.11684	51.6
124.07494	0.5
124.12032	1.2
125.09551	0.5
127.03867	3.7
133.03944	0.6
133.04944	11.5
133.10098	2.8
137.05937	0.8
137.13222	1.1
141.12720	2.0
145.04933	4.4
145.10100	0.5
147.04311	0.6
147.06535	0.4
150.05560	0.4
150.07581	0.5
151.11151	10.9
152.07014	0.5
155.14313	1.0
163.03909	1.0
163.06050	1.2
169.04865	0.6
169.12210	44.7
170.12535	1.1
177.05383	0.5
181.04950	3.0
184.07544	0.4
187.13261	100.0
188.13622	1.9
207.42050	0.4
241.07162	0.5
259.08182	0.9
295.09900	0.7
295.15274	2.0
301.16388	1.0
313.16345	1.4
325.11453	0.5
331.17490	8.3
334.16385	0.5
342.26389	0.4
352.17590	2.4
409.69302	0.4
514.22626	1.4
521.20349	0.5
637.60992	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.1
53.03918	0.2
55.01865	0.2
55.05487	0.5
57.03413	0.4
57.07064	0.3
59.04973	0.2
59.37376	0.1
61.14035	0.1
63.35882	0.1
65.03925	0.6
67.05491	0.9
69.03407	1.3
69.07052	1.0
69.76824	0.1
70.06559	0.3
71.04968	0.3
79.05469	0.8
79.05869	0.1
81.01484	0.2
81.03396	2.6
81.07038	8.8
82.07355	0.2
83.08586	0.2
84.08138	0.2
84.90870	0.1
85.02878	1.9
85.06521	0.3
86.09683	0.4
91.05460	4.9
93.07034	0.8
95.04947	0.3
95.08578	2.9
97.02893	0.7
97.06509	0.2
99.04388	0.4
99.08069	0.3
99.79315	0.1
100.36460	0.2
105.07001	0.6
107.04933	0.5
107.08550	0.6
109.02858	1.3
109.06525	0.2
109.10125	0.4
111.11670	0.2
119.04916	15.1
119.08545	0.5
120.05220	0.2
121.02843	0.4
121.06525	0.2
121.10104	0.4
123.04405	0.2
123.11698	0.3
127.03873	0.7
131.04865	0.2
133.10117	0.3
135.11691	0.2
136.07562	0.3
137.05945	0.4
137.13190	1.6
141.78610	0.1
145.02837	0.3
145.04970	0.2
145.06479	0.3
145.10054	0.2
147.04375	100.0
148.04726	1.6
149.13165	0.1
151.03906	0.2
151.07516	0.4
155.14287	0.4
157.10150	0.2
159.11653	0.2
161.13200	0.3
163.03825	0.3
165.05443	5.2
167.06999	0.2
173.09563	0.3
177.05429	0.6
184.07275	0.3
187.11171	0.2
221.15085	0.2
263.16455	0.2
269.17422	0.4
273.18469	1.1
283.16965	0.2
291.08560	2.5
301.17911	0.4
309.09616	9.3
334.63351	0.2
386.69595	0.2
445.22165	0.2
474.30154	0.2
490.60934	0.2
581.65381	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	660.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58292	0.6
53.03925	2.3
54.82620	0.5
55.01861	5.1
55.05503	12.4
55.38101	0.4
56.05810	0.5
57.03160	0.9
57.03427	14.2
57.03704	0.9
57.07068	0.8
59.04979	2.3
61.02919	2.7
65.03933	0.8
67.05493	32.2
69.03404	1.6
69.07053	9.5
70.47229	0.6
70.75762	1.2
70.76139	1.0
71.01347	2.8
71.04980	4.7
72.30546	0.4
73.02904	1.0
73.06525	0.5
76.44440	0.5
79.05481	30.9
81.03402	9.8
81.07045	20.6
83.01325	4.7
83.04517	0.7
83.04975	10.6
83.08606	8.9
85.02887	5.6
85.06518	2.7
86.09687	1.0
91.03924	1.3
91.05465	15.3
93.07029	42.6
94.07341	1.1
95.04961	6.7
95.08594	8.9
97.02859	2.4
97.05967	0.6
97.06525	9.2
97.10152	9.9
99.04417	2.4
99.08058	1.4
99.37765	0.5
105.07018	8.5
107.04944	6.3
107.08578	26.0
107.85967	0.5
108.08921	0.5
109.02881	0.6
109.06514	3.5
109.10139	4.4
111.04417	2.1
111.08074	2.8
111.11693	0.8
117.07011	6.0
119.08559	8.8
121.06501	2.7
121.10130	9.3
121.36585	0.5
123.08060	4.8
123.11703	0.6
125.06001	1.1
125.09591	1.9
129.06966	1.4
130.07768	1.3
131.08551	2.8
133.10121	3.5
135.08014	1.7
135.11673	39.0
136.12047	0.7
137.09587	1.8
139.07535	0.6
143.08517	0.8
145.06522	0.8
145.10100	14.5
147.07996	1.3
151.11176	0.8
153.12807	2.7
155.08495	0.9
159.11615	0.6
163.11160	18.0
165.09172	0.6
172.45059	0.5
173.09619	1.9
181.12212	9.3
184.07307	1.9
191.10623	2.3
199.13271	2.0
209.11676	3.2
227.12663	3.7
255.15881	73.7
256.16223	2.7
265.14322	1.7
273.03873	0.7
274.81555	0.5
275.19977	0.7
283.15369	42.6
284.15662	1.0
402.49292	0.6
445.25562	3.5
463.26810	100.0
464.27167	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	661.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05639	0.7
57.03358	0.5
67.05352	2.5
67.05740	1.1
69.03292	0.6
69.06942	1.0
69.07281	0.7
69.64096	4.1
70.06522	0.4
70.24467	0.4
71.04875	0.8
79.05315	1.8
81.03302	0.8
81.06883	2.9
81.07406	1.1
83.04872	0.5
83.08510	0.4
85.02793	0.8
85.06417	0.7
86.09575	0.6
91.05309	1.6
91.05852	0.9
93.06866	1.6
95.08415	1.6
95.08943	0.5
97.06359	1.0
105.06845	2.0
105.07484	0.9
107.08437	1.0
109.06369	0.8
109.09994	0.8
117.06868	0.6
119.08369	1.3
121.09922	0.8
132.57585	0.5
133.09944	0.7
145.10002	1.0
147.11433	0.9
147.69742	0.5
149.09486	0.6
163.03636	0.5
163.11069	0.5
184.07080	0.7
211.30063	0.5
236.60661	0.6
275.19888	0.9
276.20096	0.6
386.14224	0.7
387.14688	0.7
394.17307	0.8
401.16034	1.8
407.17688	0.6
415.13556	0.8
416.14435	1.3
417.15674	1.1
418.13074	0.6
419.17050	0.6
428.14642	1.2
429.15442	7.3
430.16245	3.0
431.17065	5.9
432.17590	1.0
435.17862	0.6
440.14496	0.6
441.15039	2.3
442.16895	2.5
443.17972	3.5
444.18073	10.8
445.18988	2.4
447.16745	0.9
453.15302	1.0
454.16302	4.0
455.17343	3.3
456.18411	4.0
457.14221	16.0
458.14600	1.2
458.20111	0.9
459.16364	1.3
467.17465	0.8
468.17422	1.4
469.19128	4.5
470.19415	0.7
471.15863	7.1
472.17395	28.2
473.18094	4.0
474.19058	0.8
482.15558	1.5
483.16583	1.6
485.18506	0.9
486.14984	0.6
490.18448	1.3
496.17188	1.8
497.18225	3.6
498.18045	1.0
499.19983	0.8
500.16959	2.6
501.17548	1.6
513.17938	0.8
515.19269	4.6
516.19757	1.8
524.17004	1.4
527.19305	1.4
528.19818	0.8
530.21295	2.2
531.22388	10.2
532.22223	0.9
541.20477	0.9
555.18854	0.6
556.19470	2.2
557.19916	1.0
559.21869	58.2
560.22083	4.8
577.22644	1.0
587.21350	5.8
596.49689	0.6
597.20490	1.4
618.23230	0.8
619.23926	100.0
620.24237	6.9
629.22375	7.3
637.64319	0.6
643.23840	1.6
661.25006	72.9
662.25232	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	661.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00298	0.4
50.48796	0.4
50.90389	0.4
51.05162	0.5
53.03912	0.6
55.05455	1.9
55.05688	0.6
55.67535	0.5
57.03409	0.7
59.04976	0.5
67.05487	3.1
69.03401	0.7
69.07005	1.6
70.71786	0.5
71.04956	0.8
79.05475	2.6
80.05737	0.5
81.03342	0.8
81.07043	4.1
83.04935	0.7
85.02851	1.2
91.05420	1.9
92.05740	0.5
93.06987	2.0
95.04922	1.3
95.08595	2.4
97.06470	0.8
97.10108	0.8
105.06950	2.1
107.08543	2.4
109.06438	1.0
109.10098	1.2
117.06985	0.8
119.08499	1.5
121.10139	0.7
123.11605	0.6
127.03890	0.7
131.08514	1.4
133.10040	1.4
145.10011	1.0
147.11595	0.8
149.09554	0.7
159.11624	0.7
163.03833	0.7
163.11157	0.7
184.07300	0.5
209.05002	0.5
248.20769	0.5
275.19992	1.8
276.20459	1.2
340.72720	0.5
350.23947	0.6
387.14929	0.8
394.17804	1.0
401.16299	1.7
405.15857	1.0
414.13113	0.7
415.13522	0.8
415.18216	0.9
416.14420	1.3
417.16528	1.1
418.12241	0.6
418.17422	0.6
428.14758	1.3
429.15558	8.0
430.16113	3.9
431.17319	4.5
432.18298	1.1
435.18063	0.7
440.14639	0.9
441.15866	1.0
442.17010	1.0
443.17108	2.6
444.18134	9.1
445.18912	3.3
446.19189	0.7
447.16840	0.8
453.15573	1.3
454.16635	2.8
455.17221	2.6
456.18597	2.9
457.14328	16.9
458.19781	1.1
459.16837	1.4
464.18378	0.7
467.16840	1.6
468.17957	2.2
469.19217	3.8
471.16098	8.6
472.17407	26.3
473.18100	4.4
481.15506	0.9
482.16003	1.9
483.16602	1.5
485.18326	0.8
490.19043	0.6
496.17654	1.4
497.18164	6.3
498.18921	0.8
499.20142	1.1
500.16833	2.5
501.17896	0.7
513.18036	1.2
514.18622	1.0
515.18927	3.6
516.20007	1.0
517.20636	0.8
524.17450	1.4
527.19849	0.8
528.19952	1.6
530.21509	1.7
531.22284	9.6
543.21729	0.8
556.19482	3.9
557.20697	1.1
559.21844	58.8
560.22058	3.5
577.22772	0.8
587.21075	5.3
594.93701	0.5
597.19989	2.2
601.22504	0.7
619.23926	100.0
620.24152	4.3
629.22388	10.9
643.24420	1.2
661.24957	75.5
662.25446	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	661.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	8.1
54.10712	2.2
55.01841	7.1
55.05509	20.2
57.03426	24.7
57.07047	4.3
61.02918	82.4
65.03913	3.6
66.41689	2.0
67.05498	60.1
68.05826	2.4
69.03091	2.7
69.03425	34.9
69.07056	26.1
69.76472	12.4
71.01304	4.0
71.04988	5.0
71.08627	2.5
71.64433	2.0
73.02581	2.6
73.02908	28.5
75.04462	2.9
79.05489	23.7
81.03408	33.8
81.07042	59.2
82.07350	2.7
82.46636	2.4
83.04970	6.5
83.08611	15.4
85.02893	100.0
85.06543	3.7
87.04429	3.6
91.03945	57.5
91.05466	17.2
93.07031	28.5
95.04939	7.9
95.08589	48.9
97.02229	4.4
97.02878	82.6
97.06512	6.2
97.07727	2.4
97.10156	8.9
99.04440	15.3
101.02365	10.7
103.03960	11.8
105.07026	18.6
107.08592	17.5
109.02860	12.7
109.06480	4.0
109.10139	23.4
111.04437	5.1
111.08057	3.1
115.03909	5.5
117.05528	2.1
117.06935	3.3
119.08561	13.3
121.10159	16.4
123.11684	6.4
125.09638	3.5
127.03880	38.4
129.05414	6.6
129.06989	4.0
131.08597	5.0
133.10130	12.9
135.11659	6.2
136.12311	2.3
137.09613	2.9
137.13200	3.9
143.08585	4.2
145.04939	23.2
145.10075	8.2
147.11668	8.8
149.13219	5.6
151.14810	2.4
157.10081	3.4
159.06506	3.1
159.11668	3.6
161.13235	9.4
163.05960	4.9
163.14905	3.0
167.10695	3.1
169.10147	2.8
173.09447	2.6
173.13167	4.1
175.14828	5.1
181.12230	2.4
183.06534	12.7
183.11662	2.6
189.16306	2.4
194.25238	2.4
201.07527	6.3
245.22643	9.5
246.69334	2.2
247.86552	2.3
263.23633	15.1
275.20016	4.8
283.44226	2.3
305.24722	3.4
335.25769	9.0
337.27310	86.9
338.27652	3.9
347.25439	2.6
353.24869	3.7
365.26788	4.5
371.25821	4.1
389.26428	2.8
445.29492	3.4
463.30386	5.0
481.31415	9.9
499.33148	2.8
661.37091	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	662.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.1
55.01841	1.2
55.05489	3.6
57.03415	2.9
61.02901	1.0
61.31943	1.0
65.03953	1.2
67.05503	4.5
69.03092	1.2
69.03426	14.9
69.07055	1.3
69.88493	4.2
71.04969	2.4
75.04460	2.8
79.05484	20.6
81.03403	14.0
81.07042	7.1
83.04958	1.6
85.02901	13.0
87.04447	1.2
91.04932	1.2
91.05470	19.1
93.07033	90.7
94.07345	1.7
95.04960	5.9
95.08606	6.8
97.02885	10.5
97.06541	1.2
99.04411	2.9
102.05404	0.9
103.05447	1.1
105.07018	11.5
107.04942	1.9
107.08578	21.5
109.02858	8.3
109.06487	2.4
109.10143	7.3
111.04418	2.5
111.08043	3.5
115.05399	1.2
117.03394	0.9
117.07009	1.1
119.04932	3.0
119.08569	10.7
121.06516	5.7
121.10131	100.0
122.10417	1.7
123.04422	2.2
123.08044	2.5
123.11686	1.6
125.05995	1.1
127.03879	7.4
129.06970	1.7
131.04938	1.3
131.08548	8.2
133.06430	1.4
135.04401	1.6
135.08022	1.8
137.05974	18.7
137.09608	2.8
139.11159	3.4
143.08514	2.5
145.02870	1.3
145.04919	2.8
145.06462	1.7
145.10052	2.2
147.04362	4.0
147.08040	1.4
149.05965	15.5
149.09596	31.0
151.03836	0.9
151.07521	3.5
157.06422	0.8
157.10112	1.7
159.08041	1.4
161.05949	4.1
161.09605	1.1
163.03912	3.4
163.07520	3.3
165.05476	4.7
167.07036	11.7
167.10657	22.2
171.08008	1.7
173.05951	2.2
173.09676	1.6
175.07491	3.2
177.05482	1.5
181.04988	1.2
183.08040	1.0
187.07475	2.1
187.11102	1.1
189.05363	1.1
189.09085	13.7
191.06990	2.2
191.10645	2.3
197.09732	1.0
199.07407	1.0
201.09074	2.0
203.06979	1.1
203.10648	1.3
205.08655	1.8
207.10129	5.1
211.07552	1.1
211.11142	2.1
215.07018	2.1
215.10738	1.6
217.08568	1.3
222.55849	0.9
229.08571	5.6
229.12068	4.9
233.11697	1.3
239.14200	2.0
241.12135	1.3
245.08096	3.4
247.13205	1.0
257.08191	1.3
257.12704	1.1
257.15216	6.1
263.09070	2.9
267.13837	2.7
275.13013	2.0
275.16342	8.2
285.14835	17.1
293.13852	8.5
299.11078	1.0
303.15900	27.0
304.16040	1.2
311.14844	30.6
327.15741	2.5
345.16547	0.9
355.16196	1.3
369.16965	1.2
393.16895	2.4
411.17960	5.8
429.18915	6.1
447.20007	10.7
462.20746	0.9
465.20966	4.8
662.21106	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36360	1.6
53.03931	3.6
55.01852	2.9
55.05501	19.8
55.15379	1.8
57.03423	16.9
61.02911	5.3
67.05492	44.8
67.78949	1.9
69.03416	5.3
69.07063	14.2
69.76749	12.6
71.01331	2.0
71.04984	6.5
73.02917	1.7
79.05481	47.9
80.02473	1.6
81.03404	67.0
81.07045	33.5
82.63309	1.9
83.04977	19.0
83.08603	24.3
85.02897	19.1
85.06515	2.5
91.03925	2.0
91.05465	33.9
92.62392	1.7
93.06441	2.7
93.07030	49.4
95.04955	25.3
95.08588	12.6
97.02862	4.9
97.06502	12.3
97.10148	8.1
98.21452	2.3
99.08048	1.9
105.07014	20.5
107.04932	6.5
107.08577	28.6
109.06503	6.2
109.10132	6.9
111.04420	2.9
111.08079	10.2
113.06000	2.0
113.65664	1.9
115.05389	1.8
117.06985	4.6
119.08562	17.9
121.06470	2.2
121.10131	12.2
123.08048	3.6
123.11636	2.0
125.09583	2.1
129.06990	7.8
131.08551	10.5
133.06412	2.4
133.10129	12.2
135.11671	42.5
137.09576	2.2
145.10104	10.4
147.08017	2.3
147.11687	11.7
149.09607	6.1
151.11118	2.0
157.10091	14.1
163.11159	6.8
165.12772	3.1
175.11137	15.2
181.12199	11.2
193.12218	42.3
204.28247	2.0
211.13260	62.3
255.15872	78.2
267.15866	31.2
285.16901	29.7
327.27692	1.5
327.61127	2.0
335.60327	1.9
421.25714	3.1
447.27344	76.5
465.28400	100.0
466.29053	3.4
630.22534	12.8
662.25061	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	662.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01850	0.8
55.05506	24.2
56.72770	0.5
57.03421	0.9
57.07072	9.7
59.05001	0.5
60.20355	0.5
61.02914	1.8
67.05515	2.6
69.03414	5.3
69.07061	14.9
70.06594	0.8
71.04980	1.3
71.08620	2.3
73.02883	0.7
73.06537	2.0
74.71082	0.6
79.05484	0.9
81.03416	3.4
81.07051	7.1
82.39358	0.6
83.08611	62.1
84.08984	0.6
85.02893	13.0
85.06502	0.7
86.09686	0.6
87.04457	5.1
89.06020	100.0
90.06338	0.7
91.05466	1.8
93.07049	1.5
95.04954	1.1
95.08601	3.8
97.02885	4.0
97.10156	16.7
98.21455	1.2
99.04433	0.7
105.07033	1.7
107.04964	1.0
107.07046	5.4
107.08595	1.5
108.08112	0.7
109.02833	2.6
109.10162	2.1
111.04419	0.5
117.03427	0.6
117.09118	0.9
119.04965	0.9
119.08550	1.3
121.06543	0.6
121.10149	2.1
123.11710	0.7
124.07593	0.7
127.03941	2.5
130.08665	1.7
131.07045	1.3
131.08578	0.9
133.08586	51.2
135.07933	0.6
137.05988	0.8
137.13229	0.7
139.14835	0.8
145.02823	1.7
145.04932	1.1
145.06580	0.7
145.10133	1.2
147.04402	3.8
149.05977	0.8
151.09663	5.0
157.10161	0.5
157.15857	4.4
159.11641	0.9
163.03925	1.9
163.07608	0.6
171.97861	0.5
177.05435	3.1
177.11197	22.6
178.11626	0.7
184.07362	0.8
195.12276	3.6
201.05305	0.6
201.18480	2.5
214.18001	1.0
221.13824	4.9
227.20114	0.9
239.14928	4.0
245.21100	8.0
265.16238	0.6
271.22754	1.0
283.17670	4.0
289.23718	7.1
327.20108	17.5
333.26382	2.3
351.27310	1.2
377.28949	1.4
395.30179	1.8
439.32462	1.5
448.89352	0.5
465.34329	3.4
483.35257	51.6
484.35712	1.7
501.32178	1.1
681.59924	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86791	0.9
53.03936	2.1
55.01850	1.0
55.05502	4.1
57.03424	2.0
61.02897	3.1
65.03926	1.4
65.60247	1.0
67.05494	7.1
69.03416	11.1
69.07072	7.4
71.04959	3.5
71.59473	0.9
71.59811	1.6
73.02908	1.3
78.46546	0.8
79.05078	1.0
79.05481	10.1
81.03399	5.0
81.06614	1.1
81.07048	15.4
83.04969	5.6
83.08590	3.0
85.02895	21.5
85.06535	1.1
87.04451	1.9
91.05467	12.7
93.07031	19.8
93.53758	1.0
95.04947	4.1
95.08594	18.2
97.02869	9.3
97.06492	2.1
97.10143	1.3
99.04436	2.2
99.08067	1.2
103.05468	1.0
105.07012	25.9
107.04923	1.0
107.08580	22.7
109.02853	3.3
109.06509	4.5
109.10153	9.5
111.04440	1.2
111.08072	3.6
115.05435	1.5
117.06997	8.1
119.08569	28.4
121.06470	3.3
121.10112	14.8
123.08055	4.6
123.11660	3.9
123.62857	1.0
125.05961	2.1
125.09604	3.0
127.03873	5.4
128.06195	2.1
129.06981	4.1
130.07785	1.3
131.04903	1.1
131.08548	18.8
131.19157	0.8
133.06438	1.5
133.10109	18.8
135.04390	1.1
135.07133	0.9
135.08040	5.4
135.11670	7.3
137.09596	3.0
139.07539	1.1
141.06964	1.2
141.09129	1.2
142.07755	3.3
143.08543	13.1
144.09303	1.3
145.02861	1.2
145.04921	2.2
145.10107	23.7
147.04425	1.7
147.08035	2.9
147.11665	16.4
149.09601	3.0
149.13211	5.5
151.07428	1.3
151.11140	2.3
155.08514	4.4
156.09325	3.0
157.10110	16.6
159.08023	1.7
159.11679	20.2
161.09607	1.9
161.13231	11.2
163.03937	2.1
163.11165	6.8
163.14772	1.8
165.09105	1.6
167.10681	1.6
169.10095	9.6
170.10716	1.6
171.11661	15.0
173.09608	2.2
173.13235	11.9
175.11150	4.3
175.14787	7.2
177.05435	4.7
177.09143	1.3
177.12720	8.7
177.16350	1.3
179.10583	1.2
179.14243	1.1
181.10062	3.4
182.10980	2.0
183.11649	9.3
185.13229	13.4
186.13719	1.1
187.11218	2.2
187.14812	9.1
189.12682	3.7
189.16322	2.7
191.14311	7.0
193.10187	1.4
193.12108	1.5
195.11621	4.7
196.12375	1.2
197.11618	1.8
197.13249	9.8
199.14801	9.6
201.12685	5.6
201.16295	7.1
203.14302	6.5
205.15851	2.8
207.11662	2.8
209.13232	4.3
211.14798	7.1
213.16380	5.2
215.14275	15.3
215.17906	3.0
216.14771	1.1
217.15819	4.5
221.13246	1.8
221.15236	2.1
223.14781	3.0
225.16364	4.4
227.14243	2.2
227.17867	2.7
229.15845	13.0
231.13814	1.4
231.17381	2.3
233.15376	2.1
235.14786	1.6
237.16319	2.8
239.14319	1.6
239.17909	2.1
241.15863	3.2
241.19434	2.2
243.13739	1.4
243.17389	9.5
245.15315	1.1
247.13174	9.7
247.16924	1.8
249.14754	3.1
249.37521	1.1
251.17958	3.1
253.15784	3.7
255.17429	8.7
257.19000	2.6
259.16962	1.7
261.14731	14.4
261.18686	1.2
263.16074	1.3
265.19568	2.0
267.17468	1.6
269.18909	3.9
271.17044	1.3
275.16327	18.2
281.19043	2.3
283.20541	2.1
287.16376	2.6
289.17938	3.5
295.20450	1.4
299.16400	2.3
299.19724	1.1
301.17984	6.4
313.18045	2.4
313.21454	1.4
315.19412	4.5
317.22281	1.3
327.19363	2.0
329.21213	2.0
335.23706	1.8
341.20889	1.3
345.22241	1.3
361.25137	2.5
369.24158	1.5
379.30151	1.1
389.28265	3.1
391.29706	1.6
401.28448	6.7
407.25134	4.7
419.29248	12.4
420.30405	1.5
425.26746	1.3
429.27802	1.4
435.28976	12.7
437.30457	13.4
447.28873	15.9
453.29996	5.4
455.31485	23.9
465.29968	31.1
483.31006	25.7
501.32062	100.0
502.32504	5.2
573.46454	1.0
663.37860	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	663.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.9
53.64173	1.5
55.01854	4.7
55.05507	27.6
57.03421	5.4
57.07056	4.5
65.03918	4.9
67.05495	67.1
69.03407	3.1
69.07061	18.1
71.04977	3.6
79.05480	47.8
81.03399	7.7
81.07044	59.9
83.04949	7.0
83.08617	12.2
85.02839	1.7
85.06519	3.5
91.05465	30.8
93.07029	45.4
95.04943	11.3
95.08601	40.8
97.02862	2.3
97.06485	5.6
97.10156	10.8
99.08048	1.9
103.05399	1.6
105.07014	27.4
107.04967	1.4
107.07904	2.3
107.08583	25.7
109.02882	2.9
109.06490	3.5
109.10139	18.9
111.08035	2.6
115.05440	3.4
115.95938	1.3
117.07021	8.9
119.08552	21.0
121.06478	2.0
121.10126	19.0
123.08037	3.7
123.11684	5.1
125.09605	6.4
128.06216	10.8
129.06999	10.0
131.08563	12.8
133.06389	1.5
133.10103	11.7
135.08020	2.6
135.11682	9.5
137.05992	1.5
137.09523	2.0
141.07010	18.0
142.07767	1.9
143.08539	17.0
145.02864	1.9
145.06490	3.9
145.10117	11.0
147.07921	2.0
147.11668	8.6
149.13251	5.2
152.06195	3.4
153.06953	14.9
154.07762	1.8
155.08553	22.4
156.60925	1.4
157.06499	9.7
157.10088	7.3
159.08002	5.0
159.11694	8.2
161.13240	5.6
163.11159	2.5
163.14810	2.0
165.06995	7.6
166.07773	4.1
167.08540	19.2
169.06497	11.7
169.10202	7.0
170.07271	1.5
171.08014	32.4
171.11664	3.0
173.04510	2.6
173.05928	12.6
173.13220	5.1
175.14754	1.9
177.05417	3.2
177.12607	2.1
178.07756	5.0
179.08496	11.2
180.09235	2.5
181.06458	43.0
181.10078	12.8
182.07256	2.8
183.08034	57.6
183.11673	6.1
184.05208	2.4
185.05920	5.5
185.09569	8.5
185.13286	4.8
186.06764	1.8
187.07523	21.2
187.14882	3.1
189.06937	1.5
189.11134	2.1
191.07001	1.8
191.08475	7.3
192.09293	3.1
193.06488	2.7
193.10077	8.9
194.07199	3.8
194.10901	1.5
195.08032	26.0
195.11674	5.3
196.08617	2.7
197.05936	5.1
197.09573	17.4
197.13289	1.9
199.07526	100.0
199.14806	2.0
200.07872	3.8
201.09102	13.4
201.16324	1.6
203.08534	4.4
205.10124	8.8
206.10812	2.9
207.08037	21.7
207.11642	6.2
208.08784	6.4
209.09595	30.9
209.13165	3.1
211.07597	4.3
211.11127	5.0
213.09090	9.2
215.08633	2.3
216.09229	2.2
217.10135	2.7
218.07269	1.8
219.08009	6.4
219.11629	4.3
220.08739	4.4
221.09595	17.0
221.13185	2.5
222.10324	2.9
223.07571	3.0
223.11127	11.2
223.14780	2.0
224.08284	2.7
225.08960	6.9
227.10648	6.6
229.10146	2.9
231.08002	2.9
231.11600	4.0
232.08868	1.9
232.12517	2.2
233.09555	11.7
233.13211	4.9
234.10374	3.5
235.11143	8.3
235.14632	2.8
236.11813	1.8
237.09076	4.0
237.12723	4.2
237.16432	4.4
239.10628	4.0
241.10057	2.4
241.12212	2.0
243.11711	2.2
244.08766	2.0
245.09555	5.5
245.13321	2.4
246.10455	3.4
247.11128	10.1
247.14787	6.2
248.11896	2.9
249.12712	5.5
251.10612	3.1
251.14281	7.0
253.15865	4.7
257.13214	2.0
259.11148	6.0
260.11914	2.0
261.12848	3.8
261.22079	4.8
263.14249	4.2
265.15863	14.2
269.15512	1.9
273.12711	4.5
273.18628	3.0
273.22122	2.6
275.14267	22.6
277.15768	4.9
279.13705	2.0
279.17365	4.3
281.15314	5.9
283.16953	12.2
287.14508	1.9
287.23563	1.5
289.15881	2.8
291.14334	1.7
291.19516	5.1
293.15341	29.5
293.18378	1.2
295.16833	4.3
297.14877	3.3
299.13998	1.7
301.15884	2.1
303.17291	2.7
305.15286	2.1
305.18869	2.6
305.24863	2.0
307.17023	4.5
309.15012	2.4
309.18427	3.4
311.16382	72.9
315.16141	2.8
317.18741	2.0
319.16858	4.7
321.18515	6.8
323.16339	3.7
329.17407	17.2
331.16885	4.3
333.18631	3.4
335.19943	2.1
335.25842	15.5
337.17999	19.5
345.18146	1.7
347.19992	1.8
349.17871	12.6
349.21530	2.2
349.27484	1.5
351.19510	2.8
353.17615	1.7
355.19092	2.7
359.19803	2.4
361.21808	2.0
361.26871	1.7
363.19348	2.9
365.20923	2.1
367.19046	15.9
371.18893	2.2
385.20102	15.2
387.22964	4.6
403.21521	2.7
405.24368	2.6
443.25525	2.0
445.27359	2.1
459.29404	2.0
461.26523	2.7
483.28592	1.9
501.31177	1.6
525.37012	4.0
535.35516	5.5
543.37970	2.1
553.37012	18.5
571.37842	23.8
572.38202	1.8
589.39044	7.9
609.39313	4.3
617.42010	2.4
627.40503	17.7
628.83136	1.8
645.41516	54.4
646.41589	2.7
663.42950	46.1
664.42279	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	663.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
55.01868	7.5
55.05508	26.5
56.60233	1.5
57.03424	5.8
57.07065	2.3
59.04987	1.9
65.03928	3.0
65.07967	1.4
66.02962	1.3
67.05132	2.7
67.05499	53.1
69.03413	2.9
69.07054	19.6
71.04962	2.9
75.04491	1.4
79.05485	41.5
81.03409	5.4
81.07048	56.5
83.04948	4.6
83.08618	12.9
84.90910	1.5
85.06533	3.9
91.05467	32.5
93.07032	40.0
95.04960	14.2
95.08600	40.5
96.22400	1.5
97.02899	1.8
97.06525	6.3
97.10181	8.3
99.04376	1.7
103.05473	2.2
105.04522	1.8
105.07027	29.2
107.04966	2.2
107.08588	22.9
109.06512	4.1
109.10136	18.4
111.08090	2.4
115.05432	1.8
117.07000	9.1
119.08551	15.7
121.10137	18.1
123.08045	6.1
123.11697	4.4
125.09608	4.3
127.03865	1.7
128.06194	11.8
129.06981	7.9
131.08563	16.9
133.10124	14.7
135.08072	2.5
135.11679	10.3
137.13252	1.4
141.06970	16.9
142.07735	3.5
143.08556	18.4
144.05714	2.0
145.06467	4.1
145.10124	9.8
147.07991	1.4
147.11674	9.4
149.13235	4.8
152.06177	3.6
153.06953	13.3
154.07768	3.9
155.08540	22.8
157.06488	10.5
157.10127	4.8
159.08066	4.8
159.11732	8.1
161.13249	6.2
163.03844	1.7
163.11215	3.0
163.14732	1.9
165.06981	9.9
166.07759	4.8
167.08563	19.1
169.06506	11.9
169.10123	9.1
170.07228	1.4
171.08026	32.3
171.11670	4.0
173.06021	11.4
173.09589	2.1
173.13254	7.2
175.11194	1.9
175.14815	3.1
177.05409	2.8
178.07780	4.8
179.08560	14.8
180.09209	1.5
181.06454	37.7
181.10068	14.5
182.07242	3.4
183.08037	59.3
183.11641	5.2
184.05174	2.0
185.06012	8.5
185.09604	5.4
185.13257	3.7
187.07526	25.3
187.14838	3.3
191.08534	6.0
192.09360	2.3
193.06390	1.6
193.10124	10.3
194.07280	4.7
195.08015	29.8
195.11684	6.0
196.08844	3.3
197.05965	4.6
197.09595	18.6
197.13217	1.5
199.07526	100.0
201.09143	11.2
203.08553	2.9
204.09311	3.2
205.10085	8.5
206.10587	1.6
207.08028	22.2
207.11620	5.0
208.08769	7.0
209.09596	28.2
209.13170	2.1
211.07549	7.9
211.11150	3.9
212.08234	2.2
213.09093	12.7
214.85683	1.8
215.08693	1.9
215.10645	2.4
217.10095	5.5
218.07318	1.7
218.10881	3.6
219.08087	7.3
219.11699	7.3
220.08841	6.0
221.09605	21.2
221.13167	3.1
222.10350	2.3
223.07504	3.9
223.11186	10.8
223.14815	2.3
224.08223	2.1
225.09106	11.0
227.10681	8.9
228.09337	1.6
229.10172	3.2
231.07899	3.3
231.11540	3.2
232.08725	1.8
233.09625	14.2
233.13264	7.0
234.10355	3.2
235.11145	7.8
236.08397	2.1
237.09053	6.2
237.12688	3.8
237.16344	2.6
239.10635	5.8
243.11746	3.7
245.09604	5.6
245.13310	3.5
246.10347	4.3
247.11150	8.7
247.14796	3.9
249.12744	6.3
251.10620	1.9
251.14233	9.5
252.10901	1.7
253.15837	4.2
255.11749	2.3
255.21429	1.7
257.09457	1.8
257.13220	3.9
258.10373	2.8
259.11182	4.5
259.14499	2.1
259.20407	3.2
260.11966	2.7
261.12729	5.2
261.22156	3.7
263.14304	6.9
265.15869	11.1
267.17426	1.8
269.15390	2.9
272.11942	1.8
273.12674	4.3
273.18500	4.6
273.21860	1.9
275.14240	20.3
277.15781	4.6
279.14001	2.2
279.17136	1.8
281.15353	4.0
283.16962	10.8
285.12643	2.8
287.14282	2.6
287.23535	3.7
289.15817	3.8
291.19876	2.1
293.15359	25.0
295.16910	5.1
297.14871	4.1
301.15741	3.0
303.17398	6.1
307.17026	3.8
309.18512	2.4
311.16388	55.3
317.18918	2.4
319.16852	3.6
321.18436	6.5
323.16409	4.2
325.18106	3.3
329.17474	21.0
331.16888	2.4
333.18362	3.8
335.19958	2.4
335.25870	8.0
337.17929	12.8
339.19943	1.8
341.17490	1.8
345.18268	1.8
349.18021	12.0
349.21558	2.4
351.19482	3.2
355.19037	3.4
359.20023	1.9
361.21866	2.0
363.19370	2.8
365.21118	2.0
367.19025	12.9
379.23077	1.9
383.18555	1.8
385.19992	15.4
387.22961	4.3
389.20789	1.8
391.22522	2.7
399.22852	2.4
401.15076	2.4
401.24731	2.4
402.15320	5.1
403.21631	2.2
405.24277	2.7
413.24731	2.3
415.26260	2.1
416.16507	2.4
429.17981	1.5
431.19360	3.7
431.25391	2.8
443.25525	2.3
457.16742	2.2
457.26996	2.0
483.28571	2.0
501.30923	2.9
507.36249	2.1
525.36810	4.6
532.21490	2.6
535.35547	5.4
536.36530	1.5
541.19220	2.8
553.36652	20.2
554.37164	1.9
559.20166	3.3
571.37872	20.5
576.20502	8.4
589.38568	7.1
609.39447	3.6
627.40399	17.6
645.20099	2.8
645.41498	53.0
646.41632	4.4
663.42755	44.3
664.42035	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	663.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60603	1.2
53.03929	3.6
55.01851	3.8
55.05502	26.5
55.92831	1.2
57.03427	6.6
57.07062	3.2
59.04987	2.6
65.03921	2.5
67.05495	59.9
69.03417	2.9
69.07063	15.0
71.04974	2.6
76.82018	1.4
79.05482	41.0
81.03394	3.9
81.07046	50.4
81.07540	2.5
83.04960	4.0
83.08620	7.3
85.06545	1.9
85.97823	1.4
88.01056	1.2
89.64678	1.2
91.05460	27.2
93.07031	44.7
94.91635	1.3
95.04948	9.5
95.08591	39.5
97.06509	4.2
97.10159	6.2
103.05444	1.5
105.04536	1.6
105.07011	24.3
107.04912	1.4
107.07902	2.3
107.08578	27.8
109.06504	2.7
109.10152	16.4
109.11755	1.4
111.08087	2.0
115.05408	5.8
117.06974	7.2
119.08559	18.8
121.10143	15.1
123.08060	3.6
123.11682	3.2
125.09602	4.7
128.06206	13.5
128.90950	1.4
129.06979	7.9
131.08554	11.4
133.10130	11.7
135.11670	10.6
137.09608	1.7
141.06975	16.7
143.08546	12.7
145.02837	3.4
145.06462	4.2
145.10097	11.1
147.11667	8.3
149.09546	1.4
149.13235	6.0
152.06206	2.7
153.06963	11.6
154.07697	2.7
155.08527	18.9
157.06459	10.8
157.10074	5.3
159.08046	6.2
159.11670	5.2
161.13232	5.4
163.14835	1.4
165.06961	6.9
166.07690	3.9
167.08537	14.4
168.05688	1.3
169.06456	11.8
169.10066	7.5
171.08034	29.6
171.11639	2.6
173.05981	10.7
173.13261	3.3
175.14853	3.3
177.05479	5.0
177.12753	1.7
178.07745	3.8
179.08531	9.1
180.09280	2.1
181.06454	39.6
181.10060	13.0
182.07141	2.1
183.08035	51.1
183.11676	3.6
184.05127	1.9
184.08641	1.9
185.05968	6.3
185.09583	5.3
185.13225	2.7
186.06729	2.6
187.07530	19.8
187.14832	3.2
190.07735	2.0
191.08539	7.5
192.09219	2.3
193.06491	1.5
193.10060	9.7
194.07220	3.9
194.10902	1.3
195.08043	23.7
195.11627	7.9
196.08784	2.4
197.05914	4.5
197.09583	14.6
199.07518	100.0
201.09109	9.9
201.12584	1.8
201.16414	1.6
203.08553	4.7
204.09296	3.2
205.10103	10.2
206.07301	2.3
207.08061	22.1
207.11642	5.9
208.08783	4.7
209.09584	24.5
209.13216	4.2
210.10342	1.6
211.07545	7.2
211.11151	6.4
212.08270	1.6
213.09053	9.1
215.08664	1.7
217.10066	5.3
218.10846	1.8
219.08040	6.8
219.11607	6.1
220.08841	3.2
221.09613	18.2
221.13232	2.5
222.10403	2.6
223.07506	3.3
223.11128	11.3
225.09138	9.6
227.10696	6.8
229.10156	2.5
231.07968	3.4
231.11694	4.6
232.08815	3.0
233.09543	10.3
233.13249	5.3
234.10387	3.2
235.11200	10.5
235.14745	2.9
237.09113	5.1
237.12727	4.6
237.16312	3.9
239.10674	3.9
243.11736	2.9
245.09676	5.0
245.13142	3.0
246.10390	2.2
247.11136	6.5
247.14796	3.8
248.12057	1.8
249.12712	8.2
249.16399	1.6
251.10579	1.7
251.14217	6.3
253.15897	4.3
257.13312	5.5
258.10236	1.6
259.11194	3.9
259.20511	1.5
260.11914	2.1
261.12766	4.3
261.16428	2.4
261.22095	4.2
263.14246	5.1
265.12949	1.9
265.15854	13.8
269.15356	1.9
271.11264	2.8
271.14633	1.3
273.22186	1.7
275.14267	20.8
277.15747	3.3
279.13791	2.5
279.17178	1.7
281.15286	4.6
283.17017	10.5
287.14291	2.0
287.23495	1.6
291.17328	2.2
293.15356	21.7
295.16867	4.5
297.14783	2.4
301.15851	2.2
303.17319	4.4
307.16949	3.2
309.14816	2.4
311.16382	51.5
315.16306	1.7
319.17081	2.8
319.20364	1.7
321.18457	5.4
323.16379	4.4
329.17358	13.4
331.17221	2.6
331.20502	2.0
333.18365	3.4
335.25656	10.5
337.17923	15.2
347.20007	3.7
349.18033	10.6
349.21793	2.0
351.19473	3.3
355.19049	2.7
359.19824	1.8
361.21432	1.6
367.19022	11.9
371.19141	1.9
375.23309	2.4
385.20087	14.4
387.23074	2.6
391.22723	1.9
403.21387	4.2
427.26215	1.9
441.27448	2.2
461.26614	1.8
525.37390	1.7
535.35864	3.2
543.37598	2.0
553.37036	16.0
571.37585	17.7
589.38855	3.9
609.39734	3.2
627.40253	13.1
645.41528	38.5
663.42535	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.4
55.05509	7.8
57.03428	6.0
57.07056	1.6
59.04982	1.2
60.45724	0.8
61.02904	2.6
63.61216	0.9
65.03932	2.0
67.05492	58.2
69.03418	2.5
69.07056	7.9
69.69022	4.1
69.69453	3.2
71.01318	2.2
71.04981	16.6
79.05481	24.5
81.03407	5.9
81.07038	18.7
83.04973	5.9
83.08585	3.7
85.02864	3.6
85.06514	4.1
91.04932	1.1
91.05463	13.5
93.07028	30.7
94.07330	1.1
95.04945	5.3
95.08595	8.1
97.02876	1.6
97.06503	8.8
97.10167	5.8
98.20727	1.8
99.04393	1.4
99.08057	1.1
105.06995	5.7
107.04934	1.1
107.08579	21.3
109.02879	1.2
109.06483	1.7
109.10140	42.9
111.08059	3.2
117.06992	3.8
119.08571	9.6
121.06461	1.6
121.10117	6.2
123.08040	1.2
125.09558	2.2
127.03894	1.1
131.08559	1.6
133.10081	4.1
135.08029	1.8
135.11674	36.6
137.05937	1.2
137.09576	6.4
143.08614	1.0
145.10085	9.6
147.07959	1.0
147.11613	1.2
149.02318	8.0
151.11078	1.0
153.12659	0.9
155.10588	1.4
155.17691	0.9
157.10153	1.2
163.11176	5.8
173.11752	7.9
173.13136	1.4
181.12206	4.5
193.04942	3.6
193.12228	1.1
199.13132	1.0
255.15895	16.7
264.90750	1.1
275.19934	1.3
287.18484	5.0
305.67157	0.9
306.28897	1.2
409.25769	53.4
410.26035	1.7
423.27454	6.8
435.27377	100.0
436.27631	2.5
467.29947	24.6
468.30054	1.0
513.77155	1.0
665.18213	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	664.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.7
57.03429	12.1
57.06804	1.7
57.07068	31.4
59.04985	4.4
61.02897	4.8
67.05495	71.7
69.03403	1.5
69.07056	6.0
70.89999	1.7
70.90367	3.5
71.04981	2.7
71.08625	18.3
73.02859	1.1
79.05489	2.4
81.07050	16.5
83.08605	12.8
83.14579	1.1
85.02880	3.5
85.06539	2.9
85.10165	11.6
87.04404	1.2
89.06017	2.3
91.03906	1.6
91.05460	4.7
93.07014	3.9
95.08591	15.6
97.02873	2.4
97.10133	4.0
107.08598	2.5
108.02117	1.0
109.10143	73.3
110.10445	1.2
111.08032	1.8
119.08583	7.0
123.11641	1.3
137.09608	2.6
147.19547	1.2
155.10640	3.7
173.11725	18.2
178.80544	1.1
205.69133	1.2
229.14326	100.0
230.14757	3.3
257.24725	1.2
313.27325	73.7
314.27637	2.8
454.40289	1.1
467.37259	60.0
468.37488	4.0
469.06830	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3888
Annotation	Paradrymonoside
Peak:m/z	Relative Intensity
53.03941	0.9
54.66599	0.5
55.05494	2.4
57.03428	1.0
57.07061	0.7
58.83119	0.4
59.04975	0.5
59.97920	0.4
61.02914	1.1
65.03931	0.9
67.05500	3.5
69.03427	2.2
69.07062	2.7
70.06566	0.5
71.04977	1.7
71.08608	0.5
79.05492	3.0
81.03400	1.9
81.07043	7.2
83.04967	2.8
83.08595	2.3
85.02898	7.3
85.06525	1.9
91.05455	5.9
93.07023	8.2
93.18551	0.6
94.04165	0.5
94.44403	0.4
95.04952	2.9
95.08593	10.9
97.02904	2.8
97.06533	1.8
97.10127	0.9
99.04471	0.8
99.08083	4.5
102.77356	0.5
103.06925	0.5
104.27226	0.5
105.07006	11.0
106.07395	0.5
107.04928	1.5
107.07903	0.9
107.08580	12.3
109.02870	1.6
109.06519	1.7
109.10141	12.9
111.04382	0.6
111.08082	1.2
113.05972	0.6
115.05429	0.7
117.03408	0.9
117.07026	3.1
119.04922	1.2
119.08566	18.0
120.08890	0.7
121.06508	1.5
121.10126	10.7
122.03620	2.7
123.08062	1.8
123.11683	3.0
124.59879	0.4
125.09578	0.6
127.03908	2.1
128.06190	0.7
129.07019	1.2
131.04974	0.5
131.08551	7.4
133.06485	2.9
133.10107	19.0
135.04395	1.1
135.08028	3.0
135.11681	6.9
137.05957	59.8
137.09586	1.5
138.06302	2.3
139.07533	0.7
141.06920	0.6
142.07713	0.6
143.04903	3.1
143.08545	3.7
145.02885	1.2
145.05000	1.2
145.06479	1.3
145.10112	15.7
145.11223	0.9
147.04395	1.8
147.08017	1.4
147.11656	7.0
149.06004	0.7
149.09566	2.9
149.13213	2.6
151.03889	6.4
151.07503	0.7
151.11163	3.8
153.07085	0.5
155.08562	1.5
156.09312	1.1
157.10127	4.1
158.11008	0.7
159.08047	2.0
159.11665	7.0
161.09605	14.0
161.13239	3.4
163.03883	4.9
163.07526	3.8
163.11160	2.0
163.14799	1.8
165.12740	0.5
169.10129	2.0
170.10934	1.0
171.11658	4.7
172.12514	0.7
173.09666	2.1
173.13226	11.1
175.07529	1.7
175.11131	2.3
175.14789	4.3
177.05460	1.0
177.09050	0.7
177.12761	1.0
177.16457	2.5
181.10072	0.7
181.12300	0.6
182.10941	0.7
183.11717	2.0
185.09575	1.2
185.13274	2.3
187.11198	2.8
187.14795	25.6
188.15253	0.8
189.12837	2.3
189.16354	9.4
189.18013	0.6
191.14240	3.2
194.08110	1.0
195.11714	1.2
197.13237	2.7
199.11116	1.0
199.14787	1.9
201.09138	0.5
201.12762	1.8
201.16383	1.1
203.06984	0.6
203.14368	1.7
205.08531	0.6
205.12167	1.0
205.15851	9.4
207.17632	1.1
208.12314	0.6
209.13318	1.2
211.11447	0.5
211.14761	2.3
213.12668	1.5
213.16371	1.1
215.14310	9.3
217.15848	1.4
219.13750	0.7
223.14880	1.0
223.16849	4.3
225.16400	1.1
227.14384	0.7
229.15828	1.6
231.17467	0.8
233.15344	18.1
235.16936	0.6
237.16483	0.6
239.17935	1.3
241.15865	1.3
243.17390	1.0
243.22891	0.6
249.16449	1.0
251.16283	7.0
255.17407	1.5
265.19626	0.6
269.19159	0.8
273.18533	0.5
277.19504	0.5
281.18997	0.8
285.18344	0.7
287.20294	1.1
327.12189	3.9
327.23132	0.8
328.12579	0.5
331.24332	0.8
349.25204	3.1
357.13290	30.5
358.13513	3.6
367.26303	3.5
373.23370	0.7
385.27707	1.4
403.29968	1.7
409.30975	2.0
421.31018	7.2
439.32117	14.4
446.25601	0.6
449.30630	1.5
455.31488	3.4
457.33099	21.7
458.33591	1.4
466.33182	0.5
467.31531	7.8
468.31909	0.6
485.25662	1.1
485.32645	20.1
486.33078	1.0
503.33633	100.0
504.33951	6.9
620.81244	0.5
665.37665	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01870	0.8
55.05507	3.1
55.40167	0.7
55.50824	0.6
57.03421	1.8
57.07061	1.4
57.64243	0.6
59.04998	0.7
61.02905	0.9
67.05503	4.6
68.77479	0.6
69.03407	4.5
69.07061	2.9
69.63734	0.6
69.64098	5.2
70.06580	1.0
71.04987	2.0
79.05473	5.2
80.10805	0.6
81.03406	3.0
81.07042	10.4
82.86515	0.7
83.04970	3.1
83.08595	2.1
85.02899	9.0
85.06540	3.1
86.09697	1.0
91.05457	8.0
93.07028	10.0
95.04971	3.2
95.08590	10.5
97.02859	3.7
97.06512	2.7
99.04436	0.9
99.08064	6.8
103.05458	0.9
105.07017	13.6
107.04935	1.1
107.08580	16.5
109.02892	2.1
109.06513	2.8
109.10144	9.0
111.04471	0.9
111.08052	2.0
115.05371	0.7
115.20435	0.6
117.03379	0.9
117.07008	3.5
119.04947	1.8
119.08565	24.3
121.06512	2.4
121.10126	15.3
121.10976	1.0
122.03673	0.9
123.08061	2.6
123.10854	0.9
123.11681	6.1
125.05987	0.8
125.09631	1.3
127.03893	3.1
128.06238	0.9
129.06963	2.0
131.04918	0.8
131.08559	10.1
133.06459	4.2
133.10110	19.5
135.04396	1.1
135.08049	4.5
135.11671	7.3
137.05959	21.9
137.09593	1.4
138.06267	0.8
139.95648	0.6
141.06963	1.3
143.04918	1.1
143.08566	4.6
145.02821	1.3
145.04857	1.2
145.06474	2.0
145.10094	14.9
147.04387	6.0
147.08006	1.6
147.11685	7.3
149.05969	1.4
149.09601	2.4
149.13214	3.8
151.03893	5.4
151.07535	0.7
151.11183	1.8
153.09163	0.7
155.08556	2.4
157.10097	5.3
157.88869	0.7
158.10860	0.9
159.08063	3.0
159.11676	7.5
161.06013	0.9
161.09592	14.3
161.13213	4.8
163.03879	4.1
163.07529	6.9
163.11139	1.9
163.14819	3.1
165.05508	0.9
165.12715	0.8
167.07127	0.6
167.10641	0.7
169.10133	2.8
170.10793	0.6
171.11620	4.9
172.12474	1.3
173.09608	2.7
173.13235	11.8
174.13708	0.7
175.07616	1.0
175.11224	3.0
175.14804	8.3
175.67496	0.6
177.05475	3.1
177.09064	1.2
177.12796	1.8
177.16365	2.7
179.03255	0.8
181.05135	0.8
182.10866	0.7
183.11700	2.4
184.07353	1.3
185.09546	1.1
185.13234	3.1
187.11212	3.0
187.14790	34.1
188.15208	1.2
189.12723	2.7
189.16368	8.9
191.10687	0.9
191.14299	2.9
193.15878	4.2
195.11557	0.8
197.13293	3.7
199.11105	1.2
199.14859	2.0
201.12779	2.6
201.16428	1.2
203.14294	1.2
203.17902	1.0
205.12149	1.0
205.15816	8.3
206.16220	0.7
207.11771	0.8
207.17484	1.0
209.13235	1.8
211.14799	2.2
213.12741	1.0
213.16380	1.2
214.18060	1.4
215.14270	9.7
217.15855	0.8
219.13750	0.9
221.13379	0.8
223.16858	4.4
225.16414	0.8
227.14319	0.9
229.15857	2.0
231.11525	0.7
231.17458	1.5
233.15317	13.3
239.17957	0.8
241.15941	0.8
243.17470	1.1
249.18448	0.7
251.16318	3.9
255.17384	1.3
260.34207	0.7
269.18900	0.9
279.15778	0.8
287.20178	1.7
295.20596	1.0
327.12201	0.9
349.25192	1.4
357.13293	9.8
358.14001	1.0
367.26410	1.9
385.27219	7.2
403.29877	2.4
421.30966	7.8
439.32010	10.3
449.30426	2.7
457.33060	37.2
458.33212	2.1
467.31641	9.1
485.32623	9.9
486.33499	0.9
503.33621	100.0
504.33939	6.8
665.38971	1.0
674.47589	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.404
Annotation	Bisandrographolide B
Peak:m/z	Relative Intensity
53.03925	0.9
55.05500	7.3
57.07054	2.3
58.35490	0.5
60.21999	0.5
60.61517	0.6
63.02361	0.9
67.05492	6.4
69.07056	7.5
69.76722	3.9
71.04952	0.7
79.05476	4.8
81.03400	0.6
81.07047	12.4
83.08608	11.1
87.07820	0.5
89.03896	6.7
91.05457	6.9
93.07029	12.7
93.60876	0.5
95.04930	1.0
95.08589	25.4
97.06464	0.7
97.10136	1.6
99.08060	1.7
103.05421	0.8
105.07011	17.4
105.07726	1.2
107.08575	22.5
109.06512	1.2
109.10135	10.2
111.08077	0.8
114.77605	0.6
114.78514	0.6
115.05486	0.7
117.03362	19.4
117.06974	2.2
119.08559	32.2
120.08904	0.8
121.06473	0.6
121.10125	15.4
123.08061	0.8
123.11683	9.0
124.11961	0.5
125.06067	0.7
128.06197	1.2
129.06972	2.3
130.07768	1.1
131.08539	12.2
133.10110	14.8
134.03615	2.4
135.04385	2.7
135.11673	11.0
137.09644	0.5
137.13255	3.0
139.07510	0.6
141.06889	0.9
142.07809	0.8
143.08542	6.5
144.09337	0.5
145.02823	48.9
145.10100	17.8
146.03166	1.0
147.11659	13.7
149.05949	9.7
149.13210	6.4
151.07539	0.8
151.14801	0.9
153.09071	0.9
155.08546	1.9
156.09373	1.6
157.10103	6.6
158.05998	0.7
158.10829	1.4
159.10345	1.2
159.11667	15.1
160.12192	0.6
161.09592	0.7
161.13232	7.3
163.03873	2.0
163.07507	2.4
163.11182	1.3
163.14812	6.3
165.12788	0.8
167.08531	0.6
169.10056	2.6
170.10829	0.7
171.11670	5.7
173.13234	8.7
175.14795	12.7
177.05440	100.0
177.16353	6.9
178.05777	1.4
179.14261	0.6
181.12199	0.9
183.11646	3.4
184.12473	0.7
185.09639	0.6
185.13232	7.1
186.05504	2.9
186.14018	0.6
187.14781	14.1
187.16345	1.0
189.16354	17.4
191.17909	3.7
195.06499	27.8
195.11591	1.3
197.13278	4.0
199.14767	8.9
201.16353	22.5
203.14325	3.5
203.17926	8.5
205.12311	0.6
205.15900	3.5
207.17415	4.1
209.13304	1.6
211.14799	6.3
213.16354	8.7
214.64549	0.5
215.14308	1.5
215.17892	4.9
217.15831	0.7
217.19496	1.8
219.13771	1.4
219.17413	1.8
221.13240	0.6
221.15327	0.7
223.14760	1.6
223.16980	0.5
225.16385	1.5
227.17870	2.4
229.15906	0.8
229.19435	1.4
231.13734	0.8
231.17383	1.6
233.15303	3.2
237.16327	0.8
239.17960	2.5
241.19489	2.5
245.15367	4.6
247.16898	2.3
249.14696	3.4
251.18045	1.0
253.19466	2.3
255.21077	2.0
257.15356	0.7
259.16931	3.8
265.19669	0.8
267.20917	3.1
271.16818	0.6
273.18539	0.6
279.21033	1.1
281.22665	1.0
285.18484	0.9
297.18814	0.8
299.19986	1.9
307.24045	1.0
319.24106	0.8
321.26089	0.7
325.21625	0.9
327.23212	1.4
335.27213	1.1
339.22885	0.6
347.27411	0.7
353.24619	1.6
363.30145	1.4
365.24765	0.8
379.26212	0.8
381.31241	0.6
389.31876	7.1
391.33609	1.5
407.27631	0.8
407.32990	12.8
408.33356	0.7
409.30914	15.1
410.31744	0.9
417.31500	0.9
425.34033	1.9
427.31876	1.3
435.32535	28.9
436.32693	1.5
453.33624	9.7
647.40613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01864	0.4
55.05487	0.7
57.03430	1.3
59.04983	0.3
63.98094	0.2
65.03932	0.9
67.01844	0.6
67.05480	0.8
67.18261	0.2
69.03418	2.1
69.07056	0.4
70.06573	0.5
71.04984	8.8
71.70228	0.3
71.70696	0.3
73.02882	0.3
75.04462	0.5
79.05476	0.6
81.03408	3.4
81.07046	1.3
83.04980	1.2
84.04498	0.4
85.02896	10.5
86.09692	0.5
87.00838	0.5
91.05471	12.7
93.07040	1.6
95.04944	0.5
95.08583	0.8
97.02317	0.4
97.02880	4.3
97.06538	0.5
99.04427	1.4
105.01859	0.4
105.07021	1.7
107.04932	0.6
107.08560	0.9
109.02866	5.7
109.03625	0.3
109.10159	0.8
111.04414	0.8
115.05428	0.4
117.07018	0.6
119.04929	14.5
119.08583	1.1
121.02876	1.2
121.10160	0.7
127.03904	6.3
129.05460	2.6
131.08533	0.5
133.06482	0.4
133.10117	0.8
135.04391	0.5
135.08002	0.3
135.11705	0.5
137.05939	0.8
142.56862	0.3
143.04904	0.5
143.08459	0.4
145.02846	0.5
145.04890	0.4
145.06505	0.3
145.10138	0.4
147.04388	100.0
147.11671	0.9
148.04733	0.8
149.09653	0.3
151.07574	0.3
153.09093	0.3
157.10025	0.4
159.11690	0.4
161.05939	0.5
161.09654	0.3
161.13266	0.4
163.03928	0.8
164.09177	0.7
165.05466	7.2
165.06732	0.3
171.11732	0.3
173.13242	0.4
175.07536	0.3
175.14803	0.4
176.15074	0.3
177.05421	1.1
178.13612	0.2
184.07281	0.5
187.14758	0.3
197.74068	0.2
199.14680	0.3
203.17947	0.9
209.09666	0.6
211.07594	0.4
213.03909	0.9
223.13194	0.2
229.08647	0.5
231.04868	0.6
255.06569	0.4
273.07639	0.5
291.08524	1.3
293.10126	0.5
323.07779	0.3
346.54654	0.3
359.07611	0.3
377.08640	0.5
395.09692	29.2
396.10092	0.7
450.30280	0.3
468.32043	0.4
485.14252	1.6
485.32730	0.3
503.33624	0.3
504.34097	0.3
524.34460	0.3
541.15564	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01884	1.0
55.05499	3.1
57.03421	1.2
57.07054	2.0
59.04976	0.9
61.02929	1.1
67.05495	6.2
69.03428	2.8
69.07043	4.3
71.04986	2.3
71.70797	1.1
79.05486	6.7
81.03400	4.1
81.07047	8.0
83.04971	1.7
83.08616	1.7
85.02903	8.3
85.06551	2.4
91.05466	8.1
93.07032	15.2
95.04957	2.5
95.08591	12.0
97.02883	4.4
97.06517	1.0
99.08082	9.9
105.07018	10.6
107.08577	26.5
108.08963	0.7
109.02856	1.4
109.06483	1.7
109.10139	14.9
111.04469	1.1
113.88019	0.9
117.03419	1.3
117.07009	3.3
119.08566	21.5
121.06535	1.3
121.10135	15.0
123.08065	2.6
123.11696	4.3
125.09612	1.7
127.03895	2.6
128.06194	1.0
129.07007	1.4
130.07806	0.9
131.08559	12.7
133.10109	18.6
135.08008	1.3
135.11678	12.3
137.05937	0.9
137.09601	1.4
137.13228	2.4
141.07054	1.0
142.07744	1.7
143.08553	6.6
145.02905	1.3
145.04938	1.3
145.10097	17.1
147.04404	2.7
147.08073	1.2
147.11667	29.1
149.09653	2.1
149.13266	3.5
151.11203	2.7
153.12759	4.1
155.08557	2.0
156.09341	1.0
157.10097	9.4
158.10902	1.1
159.11676	14.9
161.09535	1.0
161.13237	10.2
162.07622	1.4
163.03903	3.6
163.11197	2.1
163.14818	3.0
165.12810	2.2
169.10164	3.7
170.10841	1.2
171.11653	7.8
173.13223	13.8
175.11150	1.6
175.14784	6.2
176.88347	0.8
177.05492	2.4
177.07288	0.8
177.12704	3.7
177.16362	4.3
179.14215	1.8
180.08627	3.8
181.10049	1.6
183.11641	8.4
184.07346	0.9
184.12213	0.8
185.13252	9.1
187.14781	16.9
187.16344	1.2
189.12749	1.2
189.16367	3.0
191.14253	1.9
193.12181	1.1
195.11766	1.9
195.13803	3.4
197.13225	5.2
199.14801	14.0
201.12685	1.1
201.16359	11.3
203.14290	1.5
203.17892	1.8
205.15862	12.7
207.11852	1.1
207.13783	1.9
209.13269	3.2
211.14836	4.8
213.16362	7.4
215.14423	1.6
215.17978	2.7
217.15906	3.6
219.17436	2.3
223.14781	2.3
223.16948	6.0
225.16364	3.0
227.17799	1.9
229.16019	1.2
230.94150	0.8
231.17497	2.7
235.16846	0.9
237.16367	1.4
239.17883	2.0
241.19518	1.0
243.17358	1.3
251.17896	1.5
253.19525	5.2
257.19055	1.6
259.20584	1.3
263.17953	1.2
265.19620	1.8
267.21097	1.7
269.19092	1.6
271.20474	4.0
273.22122	1.0
283.20523	27.3
285.22018	2.1
293.22702	0.9
295.20432	1.1
301.21686	6.9
309.22229	1.2
311.23672	1.6
331.23709	1.0
333.25854	2.0
335.23865	1.4
351.26797	6.1
365.27805	0.9
369.28021	4.8
387.30429	1.5
405.31467	15.6
423.32547	25.4
433.31000	1.9
441.33600	100.0
442.33829	2.9
451.32047	12.8
469.33127	5.4
486.32056	0.9
487.34189	5.3
654.03577	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4327
Annotation	PAz-PC
Peak:m/z	Relative Intensity
55.05493	0.4
56.05027	0.7
57.07062	0.3
58.06601	0.3
60.08154	5.2
60.51972	0.2
67.05486	0.3
69.07066	0.3
69.68382	1.4
71.07358	2.5
74.09711	0.5
75.67680	0.2
79.05496	0.5
79.34605	0.2
81.03413	0.3
81.07046	0.5
85.10184	0.2
86.09693	30.0
95.08556	0.3
97.10151	0.3
98.98450	2.6
104.10720	2.5
109.10099	0.3
119.08517	0.3
120.10098	0.2
124.99983	18.8
131.93849	0.2
143.01045	0.3
184.07318	100.0
185.07607	0.5
189.11102	0.3
403.81735	0.3
654.26044	0.2
666.32739	0.3
666.43195	5.3
688.71259	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	667.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06458	0.9
57.50025	0.9
60.87535	0.9
62.26130	0.8
63.93129	1.0
69.67738	7.3
74.07480	0.9
74.75605	1.1
77.69434	0.9
158.09167	0.8
209.11046	1.0
249.10228	1.4
250.90231	0.8
262.07031	0.9
290.45883	1.1
342.04150	0.9
368.13956	1.2
375.38956	1.0
376.16928	1.2
377.17548	1.9
385.14020	1.5
387.15649	1.3
388.17020	1.0
389.18094	2.2
390.18457	3.1
391.18958	6.8
392.19971	1.1
398.15225	1.6
400.16510	1.0
403.19543	1.9
404.19968	1.3
405.20837	4.8
406.21713	2.4
410.18576	1.4
414.18463	1.1
417.21161	2.0
419.22464	5.0
420.22958	1.9
428.16028	1.9
430.17908	1.5
433.20163	3.0
435.18271	2.8
436.19113	1.4
445.20374	1.8
447.21735	3.5
449.19708	3.9
450.20175	2.1
459.17786	1.4
460.23096	1.3
461.19467	3.2
461.24408	1.5
463.21277	5.6
464.22202	1.8
465.22546	7.2
473.19604	3.7
475.21481	1.0
477.23041	2.8
478.23575	1.5
479.20654	2.8
487.21176	2.9
488.17953	2.2
489.18936	1.6
493.22116	28.4
494.22791	2.1
501.19174	4.6
505.18680	2.7
506.23254	1.3
515.20575	6.2
516.21448	3.4
519.24286	2.0
521.25494	9.4
532.21021	1.2
533.21655	2.7
537.24884	3.4
547.23444	6.1
548.24243	1.7
551.27130	8.3
552.27283	2.9
561.22223	0.9
565.24481	19.2
575.22711	10.6
576.23596	1.9
579.25964	17.5
580.26685	100.0
581.26929	3.1
589.24219	1.6
607.25433	57.6
608.26129	2.5
635.24896	34.1
636.25073	1.5
639.27899	9.4
649.26636	12.6
667.27521	83.8
668.27899	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83189	1.1
56.79991	1.1
61.80600	0.9
62.36256	1.0
67.05499	1.0
69.07047	1.3
71.44650	1.1
71.48562	1.8
96.45458	1.0
107.08611	1.1
132.08070	1.2
170.39200	1.0
171.10350	1.1
183.11812	1.0
219.19334	1.0
223.12332	1.7
225.10164	1.0
253.09756	1.2
363.16165	2.9
376.16815	2.0
377.17413	9.8
378.18716	2.1
389.17719	2.0
390.18634	1.6
391.19186	14.2
392.19745	5.7
401.17798	1.4
405.20947	8.8
406.21140	2.8
407.22330	13.4
414.14087	1.5
415.19559	1.3
417.21039	1.2
419.17996	8.8
419.23468	1.7
420.19305	3.9
431.18564	3.1
432.19507	1.5
433.20056	5.2
434.21130	4.4
435.21841	13.0
436.18777	2.4
444.15558	1.2
445.20956	2.1
446.21286	2.1
447.18237	3.8
449.19733	1.9
450.20959	1.6
451.21219	13.7
459.17697	7.1
461.19159	2.8
462.24475	1.6
463.25348	1.7
465.22849	6.9
473.19547	6.0
474.20667	5.6
477.19244	1.6
479.20740	41.2
480.21307	1.3
487.16904	2.2
489.23810	6.9
493.22034	9.2
494.23059	3.8
501.18997	4.0
502.20081	4.5
505.18268	7.1
506.19006	1.3
515.20782	7.3
516.21448	2.2
517.22284	100.0
518.22638	4.3
519.20129	2.1
521.25482	3.7
547.23712	3.1
549.24915	84.5
550.24988	3.3
565.23993	5.5
575.22809	10.3
576.23187	1.8
579.26111	2.4
580.26459	2.7
589.24396	1.4
593.23907	20.2
603.12305	1.1
603.22339	1.9
607.25507	10.2
608.26154	23.1
635.24878	93.6
636.25470	2.9
649.26703	1.2
667.27393	81.3
668.27765	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	667.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	2.0
56.30857	1.0
57.07065	1.9
60.41774	0.9
67.05486	3.9
69.07044	1.2
70.89680	3.7
71.04997	1.0
71.08637	1.1
79.05489	3.9
81.07044	3.5
91.05475	2.4
93.00953	0.9
93.07035	2.9
95.04944	2.2
95.08605	3.5
105.06999	2.4
109.10154	1.9
113.07104	1.0
113.63956	1.0
117.07035	1.2
119.08562	1.8
123.04353	1.0
125.09635	1.5
129.06981	1.6
131.08568	1.9
137.89099	1.0
147.11613	1.4
184.07475	1.1
204.72420	1.2
214.90529	1.0
237.10390	1.4
287.31613	1.2
313.27301	1.2
363.16031	1.4
375.16235	1.2
376.16891	1.7
377.17612	5.4
378.18466	3.0
389.17648	1.4
390.18512	2.5
391.19205	10.2
392.20020	5.5
394.12399	1.0
401.17679	1.1
401.76593	1.2
405.16333	1.6
405.21249	4.8
406.21808	2.2
407.22314	8.0
419.17865	4.9
420.19418	4.3
431.18671	3.8
433.20288	4.6
434.21033	4.0
435.21780	10.7
436.18561	2.5
445.20886	2.0
446.21191	2.6
447.17599	1.4
449.19867	1.6
450.20517	1.7
451.21304	8.5
459.17661	6.3
461.19351	2.3
462.24554	1.6
463.25537	1.6
465.22766	3.3
473.19662	3.9
474.20590	3.2
479.20734	35.7
480.20984	1.9
487.17725	1.5
489.23474	5.1
491.24387	1.5
493.21988	7.5
494.22876	4.1
501.19199	5.8
502.20023	3.6
505.18143	7.6
515.20972	5.7
516.21667	2.5
517.22308	80.3
518.22748	3.8
519.24200	1.4
521.25281	2.2
547.23517	1.8
549.24933	81.9
550.25061	4.1
555.36829	1.5
565.24323	3.2
567.26001	1.5
575.23029	12.4
576.23712	2.3
580.26550	2.8
593.23975	14.4
607.25458	10.4
608.26172	14.9
635.24908	100.0
636.25433	4.4
667.27490	51.9
668.27869	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	667.329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.01865	1.0
55.05503	3.0
57.03428	3.6
57.07043	0.5
61.02923	3.1
63.12753	0.4
65.03954	0.6
65.24757	0.5
67.05496	6.7
69.03419	3.4
69.07049	1.8
69.84834	0.4
71.01344	0.6
71.04983	1.0
71.70202	0.8
73.02905	2.6
79.05488	6.3
81.03407	8.4
81.07037	5.1
83.01306	0.6
83.04971	2.9
83.08602	1.7
83.16582	0.4
83.66262	0.4
85.02893	5.7
85.06520	1.1
87.04464	0.8
91.03959	1.9
91.05457	5.9
93.07023	5.8
95.04956	3.3
95.08595	2.7
97.02876	4.5
97.06526	1.9
97.10165	1.3
99.04436	1.9
101.02372	1.6
105.07012	3.5
107.04938	1.4
107.08573	5.1
109.02871	2.5
109.06513	1.2
109.10130	2.1
111.04440	1.7
111.08044	0.6
117.03371	0.4
117.07024	0.8
119.04956	0.9
119.08564	3.2
121.06516	0.7
121.10094	2.3
123.08044	1.4
125.09637	1.3
127.03905	2.4
129.05487	0.4
129.07072	1.2
131.08546	1.6
133.06500	0.4
133.10124	1.9
135.08037	0.5
135.11661	5.9
137.06024	0.5
143.08562	0.8
145.02827	1.0
145.04907	0.5
145.06485	0.7
145.10100	2.4
147.04410	1.9
147.08051	0.6
147.11702	1.8
149.09608	1.0
153.12689	0.6
154.97375	0.5
157.10150	1.2
159.11700	0.5
163.03947	0.9
163.11179	2.1
169.10237	0.4
171.11678	0.8
173.09631	0.8
173.13297	0.5
175.11188	0.9
177.05481	1.2
181.12221	1.0
191.10760	0.4
193.12271	1.2
203.14249	0.5
207.13655	0.5
209.11662	0.5
211.13222	0.6
221.11487	0.7
221.15318	0.6
223.13188	0.5
227.12849	1.4
229.14212	0.6
243.08397	2.1
251.12489	1.1
255.15732	0.5
269.12396	0.6
277.14139	0.5
283.15369	0.5
285.10114	1.1
299.14902	0.5
311.09143	0.6
342.15085	1.7
403.85730	0.5
439.19403	9.5
469.20428	5.6
500.56934	0.5
505.11224	1.2
505.27518	1.1
667.32874	100.0
668.33429	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	667.329
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
50.24787	0.3
52.42453	0.3
53.03927	0.9
55.01854	0.7
55.05494	1.7
57.03432	2.4
61.02921	4.6
65.03942	0.3
67.05495	4.0
69.03419	2.7
69.07043	1.1
69.95155	1.5
71.01352	0.7
71.04975	0.9
73.02898	2.5
78.20161	0.3
79.05482	4.6
81.03407	5.1
81.07053	2.7
83.04982	1.4
83.08609	1.6
83.62331	0.3
85.02898	6.1
91.03942	2.9
91.05464	4.2
93.07030	4.4
95.04952	2.1
95.08597	1.1
97.02879	4.4
97.06532	0.7
97.10154	0.9
99.04446	0.7
101.02388	1.7
105.07014	2.2
107.04958	0.8
107.08566	2.6
109.02876	0.9
109.06487	0.7
109.10145	0.7
109.33635	0.3
111.08067	0.6
113.06071	0.3
115.03908	0.5
117.07018	0.4
119.08578	2.0
121.10139	1.2
123.08035	0.4
125.09620	0.3
127.03921	1.6
129.07019	0.7
131.08571	1.0
133.10097	1.4
134.17903	0.4
134.89050	0.3
135.08055	0.3
135.11682	3.0
137.09630	0.3
145.10127	1.1
147.04420	0.3
147.11673	1.2
149.09601	0.7
157.10109	1.2
163.11162	0.8
175.11154	0.8
181.12273	0.4
185.04247	0.4
193.12177	1.4
203.04987	0.4
209.15643	0.3
211.13255	0.7
221.11543	1.0
227.12633	0.4
233.52983	0.3
235.63118	0.3
243.08371	2.3
251.12535	1.0
255.15729	0.3
277.13977	0.5
307.15225	0.8
439.19315	6.6
469.20377	8.3
505.27701	0.4
667.32892	100.0
668.33264	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	667.4035
Annotation	Bellericoside
Peak:m/z	Relative Intensity
52.94882	2.4
55.05498	12.2
67.05483	10.9
69.03415	3.4
69.07050	6.2
70.88390	2.9
70.88715	6.9
79.05472	7.9
81.07040	28.3
83.04966	55.0
83.08603	7.2
85.02870	12.1
91.05463	13.6
93.07024	36.7
95.04948	4.9
95.08587	46.3
97.02873	3.0
99.08054	6.8
105.07003	32.7
107.08574	53.1
109.06499	5.3
109.10135	20.3
111.08035	3.8
117.07005	3.4
119.08549	53.4
121.10111	26.7
123.08031	5.5
123.11688	10.3
125.09597	30.5
129.07022	6.3
131.08554	22.0
133.10100	30.6
135.11661	13.1
137.09570	4.1
143.08505	13.1
143.44766	2.8
145.10080	33.0
147.11662	27.8
149.13292	13.2
151.11113	4.3
157.10081	18.9
159.11656	40.3
161.13211	21.5
163.07500	5.6
163.14798	7.0
169.10088	6.4
171.11655	11.9
173.13225	22.9
175.14792	23.1
177.16351	5.5
183.11650	8.3
185.13225	22.5
187.14786	41.1
189.16338	12.1
191.14221	4.8
191.17967	3.8
197.13228	9.7
199.14784	29.5
201.16353	28.0
203.14241	13.1
203.17978	4.0
205.15854	7.0
209.13300	4.8
211.14806	9.3
213.16325	19.9
215.14252	3.0
215.17838	3.5
217.15813	10.6
219.17419	6.8
225.16270	5.3
227.17961	4.0
231.17381	6.9
233.15346	4.5
239.17882	4.6
241.19547	3.9
245.15315	7.7
247.16914	4.6
249.14752	15.1
253.19383	4.9
259.16895	7.4
267.20905	3.0
273.18546	3.5
279.21094	2.7
339.23108	4.8
341.24567	4.2
341.28290	8.5
347.27332	3.2
351.26910	4.0
369.27679	2.9
387.29922	9.9
391.53680	3.1
393.27399	5.9
405.31458	50.9
407.33157	7.1
423.32535	15.8
433.30963	27.6
451.26193	3.5
451.32056	54.2
459.60971	3.4
469.33075	100.0
470.33701	4.8
487.34183	6.8
493.22980	2.5
544.76685	2.5
646.48895	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37369	1.8
53.03938	2.1
55.05496	10.6
60.64443	1.5
65.03936	2.5
67.05499	12.4
69.03412	4.0
69.07065	13.0
69.69514	5.7
69.69942	7.4
71.04973	4.6
73.18329	1.6
79.05458	9.7
81.03429	3.0
81.07050	27.8
83.04971	44.8
83.08607	6.2
85.02895	11.6
91.05461	18.7
92.05750	2.5
93.07039	30.6
95.04939	9.0
95.08594	38.1
97.02922	2.3
97.06508	2.1
98.21486	3.5
100.04892	1.6
103.05457	1.9
105.07024	32.3
107.08582	50.9
109.02895	2.0
109.06499	4.6
109.10138	18.9
111.08066	7.1
115.05418	1.9
117.07011	6.3
119.04932	3.7
119.08564	51.9
121.10138	21.3
122.90299	1.7
123.08066	6.4
123.11682	9.3
125.09609	25.7
127.03909	2.0
131.08545	21.5
133.10117	33.7
135.11684	13.7
137.05951	2.0
137.09668	3.9
137.13263	2.2
143.08578	10.2
145.02864	2.7
145.10097	29.8
147.04372	19.0
147.11668	20.3
148.04721	7.1
149.13229	11.1
151.11194	4.5
153.09111	2.3
155.08554	2.2
157.10127	11.3
159.11681	28.8
161.13245	27.9
163.03911	4.8
163.07440	2.8
163.11151	2.1
163.14790	8.4
165.12706	2.4
169.10133	5.1
171.11665	10.1
173.13245	29.7
175.14825	19.7
177.05482	4.8
177.12685	2.2
177.16321	9.4
183.11655	4.8
185.13232	27.3
185.14755	2.4
187.14801	30.4
189.12788	2.2
189.16374	17.5
191.14330	5.6
191.17966	3.7
193.15781	2.0
195.11583	3.0
197.13258	4.7
199.14793	20.4
201.16377	37.5
203.14253	14.2
203.17996	6.6
205.15884	13.1
207.17383	2.2
211.14764	3.6
213.16335	16.1
215.14377	2.6
215.17920	6.7
217.15927	7.4
219.17451	5.9
221.15279	2.8
223.14853	2.7
225.16393	3.2
227.17935	3.2
229.15887	2.6
231.13670	2.4
231.17404	5.6
233.15491	2.9
239.17903	4.4
241.19484	2.8
245.15393	5.9
245.18896	2.5
247.16887	7.5
249.14784	17.3
253.19666	3.3
259.16870	4.3
261.14795	3.7
263.16336	3.3
267.21014	2.4
273.18469	2.6
285.18521	2.2
327.23318	3.2
337.21704	1.8
347.27454	2.2
355.26291	3.5
369.27939	6.3
387.29666	5.1
389.32358	1.8
393.28012	5.1
395.09985	2.2
396.10052	4.4
405.31476	26.6
407.33084	6.5
411.29016	5.7
421.30988	2.4
423.32571	14.1
433.31033	17.1
439.32104	3.7
441.33716	2.8
451.32135	41.5
469.33096	100.0
470.33353	2.4
487.34076	6.0
653.19263	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.8
55.01861	1.8
55.05502	12.6
57.03423	1.7
57.07074	1.9
61.02909	1.2
61.66562	0.6
65.03931	2.2
67.05493	12.9
69.03406	5.4
69.07047	10.5
71.04972	3.2
71.08626	1.0
71.70624	0.9
74.08923	0.6
75.52117	0.7
79.05479	10.7
81.03407	3.7
81.07040	33.2
83.04966	51.7
83.08606	8.6
85.02887	13.8
85.06519	2.7
85.47757	0.7
91.05457	20.6
92.05819	1.7
93.07027	34.9
95.04954	12.1
95.08587	43.6
97.02840	4.4
97.06503	2.1
97.10178	1.8
99.04441	0.8
99.08044	1.0
103.05453	1.0
105.07012	41.3
107.04971	1.1
107.08574	54.3
108.08901	0.9
109.02864	2.7
109.06490	4.3
109.09399	1.3
109.10143	24.6
111.04399	1.3
111.08065	8.3
117.03368	1.7
117.06987	5.1
119.04933	5.9
119.08556	56.8
120.05258	1.4
120.08889	1.2
121.06483	2.1
121.10120	27.7
123.08060	6.5
123.11684	10.7
125.05986	0.9
125.08688	1.6
125.09605	26.5
126.24869	0.7
127.03886	4.1
128.06190	1.7
129.05478	1.0
129.06976	4.7
130.07710	1.4
131.04880	0.8
131.08540	26.2
132.08946	0.7
133.06506	1.0
133.10103	34.2
135.04382	1.5
135.08038	2.1
135.11671	13.9
137.05971	2.3
137.09599	4.5
137.13239	1.2
139.07542	0.8
139.11163	1.5
142.07741	1.4
143.08536	12.2
144.09329	1.5
145.02806	5.1
145.10100	36.9
146.10527	0.8
147.04381	20.7
147.07970	1.9
147.11659	22.2
148.04716	6.8
149.05942	1.3
149.09601	2.9
149.13226	16.6
151.07468	1.4
151.11157	3.3
153.05428	1.7
153.09056	3.4
155.08516	2.9
156.09296	1.9
157.10100	13.4
158.10840	2.1
159.08044	1.2
159.11656	29.0
161.09579	2.2
161.11891	1.5
161.13223	29.2
163.03902	2.8
163.07524	2.6
163.11143	2.9
163.14774	8.0
165.05472	2.0
165.12753	2.1
167.08554	0.7
167.10651	1.3
169.10097	5.3
170.10817	1.9
171.11661	11.0
173.13232	26.4
175.07535	0.9
175.11226	1.7
175.14783	21.3
177.05424	8.5
177.09071	2.2
177.12720	2.3
177.16341	7.6
179.10716	1.0
179.14288	1.6
181.10139	1.0
181.12112	0.8
182.10883	1.1
183.11659	5.2
184.07262	1.6
184.12466	1.9
185.13226	33.9
186.13698	1.4
187.11229	1.0
187.14784	32.4
188.15286	1.1
189.12701	1.7
189.16331	17.0
191.10796	0.9
191.14314	6.0
191.17851	3.4
193.15894	1.9
195.11670	1.6
197.13194	5.6
198.13995	0.8
199.14772	18.6
200.15201	1.0
201.12787	1.3
201.16353	37.6
202.16679	1.6
203.14258	14.7
203.17885	7.4
205.12303	1.1
205.15843	11.9
207.17455	1.7
209.13168	2.2
211.14807	4.5
213.12923	0.8
213.16339	16.1
215.14337	2.8
215.17863	5.2
217.12280	1.1
217.15862	8.9
219.13799	1.0
219.17390	8.1
221.13385	1.0
221.15369	2.9
223.14734	2.3
225.16454	4.2
227.17877	5.5
229.15930	2.3
229.19551	1.4
231.13745	2.7
231.17361	5.5
233.15329	2.9
235.14832	1.0
235.16859	1.2
237.16513	1.7
239.17944	3.6
241.19493	3.1
243.17462	1.1
245.15269	6.2
245.18945	1.4
247.16901	8.0
249.14758	13.1
249.16919	0.9
251.17958	2.7
253.19432	4.0
255.21121	1.1
257.18967	1.0
259.16864	4.7
261.14670	3.5
263.16187	4.4
265.19580	0.8
267.21045	3.0
273.18515	1.6
275.16385	1.2
277.17740	1.1
279.21088	2.3
281.22592	2.8
285.18457	1.6
287.20090	1.0
293.22580	1.4
297.18698	0.8
299.20020	1.0
323.27518	1.6
325.21552	2.1
327.23141	1.7
331.24045	1.2
339.23123	2.2
341.24585	2.3
341.28369	1.1
343.22720	1.3
347.27234	1.4
355.26181	3.5
357.24182	1.1
369.27908	4.1
373.27283	0.9
377.31827	1.0
387.30042	6.3
389.31848	1.9
393.27713	4.3
395.09714	1.1
396.09909	3.0
405.31464	24.9
406.31924	1.7
407.33136	6.1
411.28754	5.1
421.30844	3.1
423.32541	12.9
424.33228	1.0
433.30936	17.2
434.31168	1.0
439.32111	3.7
441.33374	1.4
451.32010	38.7
452.32391	2.1
469.33081	100.0
470.33459	4.3
487.34314	5.8
505.10477	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4043
Annotation	Niga-ichigoside F1
Peak:m/z	Relative Intensity
54.63742	1.8
55.05501	12.3
56.98458	1.5
57.03413	2.5
57.88427	1.5
59.04981	2.0
67.05489	13.6
69.03422	5.0
69.07072	8.0
69.96964	11.3
75.62167	1.6
79.05463	13.8
81.03393	7.0
81.07040	32.4
83.04971	52.3
83.08604	11.1
85.02901	10.5
91.05454	17.3
93.07027	33.2
95.04953	9.9
95.08591	43.2
97.02866	2.1
97.06511	3.3
99.04430	1.9
99.08112	4.5
105.07006	35.9
107.08579	61.2
109.02865	2.5
109.06504	6.0
109.10143	23.9
111.08070	5.6
115.05457	1.7
117.03387	1.9
117.07032	5.1
119.08558	49.8
121.10116	27.5
123.08057	6.6
123.11699	9.5
125.09612	27.7
129.07005	4.6
131.08556	24.9
133.10101	29.8
133.60677	1.5
135.11615	13.5
137.09605	3.9
142.07751	1.7
143.08559	15.9
144.09351	2.0
145.10094	37.6
147.11656	22.2
149.09601	2.2
149.13220	9.1
151.07536	2.1
151.11154	4.1
155.08492	2.3
157.10089	19.8
158.10896	2.4
159.11674	32.8
159.12955	2.4
161.09514	2.2
161.13234	22.0
163.07521	5.1
163.11232	3.7
163.14824	6.5
165.12761	2.0
169.10136	7.0
170.10883	3.0
171.11644	13.6
173.13213	22.4
175.14790	21.0
177.05348	2.4
177.09145	1.8
177.16379	6.0
177.80072	1.6
179.03427	1.6
183.11694	6.1
184.12523	2.1
185.13229	20.9
187.14784	33.7
189.16313	10.8
191.10620	2.4
191.14259	3.0
191.17949	2.5
193.15894	1.7
197.13254	7.7
199.14804	30.0
201.16350	30.1
203.14304	17.0
203.17937	3.7
205.15840	5.7
209.13297	3.0
211.14760	7.3
213.16341	17.0
215.14285	2.8
215.17937	3.9
217.15758	8.3
219.13852	2.2
219.17439	6.3
221.15305	2.2
225.16360	4.8
227.17912	5.2
229.15933	2.2
231.17430	5.4
233.15361	5.6
237.16521	2.2
239.17932	5.5
241.19572	3.5
245.15399	11.2
247.16982	3.3
249.14705	14.1
251.18039	3.2
253.19542	4.0
255.21082	2.6
259.17004	8.6
265.19614	3.1
267.15967	2.6
267.21106	5.4
273.18497	2.4
279.20914	1.9
281.22745	2.3
283.20673	2.3
293.22427	2.5
293.39005	1.9
299.20099	3.5
299.23514	2.1
311.09000	2.1
313.21576	2.4
323.27313	2.5
331.24084	2.0
334.06805	1.8
341.28387	7.3
347.27289	1.9
355.26135	2.8
387.30109	7.6
393.27689	7.9
405.31439	45.2
407.33136	5.1
411.28976	4.0
421.25903	2.7
421.31165	2.3
423.32581	11.0
433.30917	25.8
451.31976	54.8
452.32520	2.3
466.36313	1.9
469.33102	100.0
470.33237	3.6
487.33920	5.7
667.33478	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83473	0.9
57.07066	1.3
67.05484	1.9
69.82432	3.8
69.82870	3.7
95.08588	1.1
101.00897	1.1
105.07028	1.6
140.12160	1.0
241.64964	1.1
255.28088	1.1
282.38730	1.1
320.18402	1.2
450.08878	2.3
463.09296	1.6
464.10666	6.5
465.11127	2.8
476.10678	1.5
478.12369	5.6
479.12866	7.9
491.09122	3.5
492.09885	11.6
493.10379	2.7
494.15253	58.5
495.15390	3.0
505.11002	1.2
506.11438	15.9
507.11642	2.0
520.12994	4.1
521.13574	18.9
522.13501	3.8
534.14453	1.5
580.18439	2.0
608.18304	100.0
609.18488	5.0
668.19934	18.6
669.19379	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	668.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63021	0.5
53.03933	0.9
57.03426	4.9
61.02907	2.1
68.99810	0.6
69.03421	4.0
69.49510	1.3
69.49928	3.6
70.06570	1.3
71.01339	0.7
71.04979	26.0
73.02888	1.2
73.65476	0.5
75.04474	1.0
79.05492	0.6
80.05000	1.4
80.31071	0.5
81.03401	1.9
83.04971	1.7
84.04498	0.8
84.08128	1.0
85.02891	28.2
87.04430	0.7
87.80186	0.5
89.03882	3.0
89.77890	0.5
91.05444	0.8
93.07015	0.9
97.02873	9.4
99.04433	1.3
101.02341	0.6
107.04931	2.0
107.08566	0.7
108.04456	1.6
109.02889	1.3
110.06013	6.2
111.04430	1.5
112.07599	0.9
115.03981	0.5
117.03371	4.1
120.04452	1.4
120.59835	0.5
121.02876	0.8
121.10139	1.4
121.10950	0.6
122.05973	1.8
124.03930	1.0
125.04691	1.0
127.03872	1.5
127.84991	0.5
129.05472	5.7
131.22932	0.6
135.04398	11.3
137.05980	0.5
138.05476	40.6
139.05818	0.6
140.07037	6.0
145.02823	9.8
147.04396	0.7
147.06488	0.8
148.03911	3.6
149.04680	0.5
150.05505	3.7
152.03409	0.9
152.07037	1.5
153.04182	7.4
163.03874	100.0
164.04213	1.5
164.10390	0.5
165.04150	0.6
165.07848	0.9
166.04945	1.6
168.06538	25.1
177.05458	0.8
180.06496	2.7
180.10121	1.3
181.04936	3.4
186.05507	0.7
198.07582	91.8
198.11226	4.7
198.55937	0.5
199.07970	1.2
237.02791	0.6
307.08112	1.1
325.09122	23.8
344.13239	1.3
360.12952	1.0
434.44635	0.6
464.57404	0.5
522.15912	17.8
668.24512	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17914	2.5
50.50901	2.2
53.03936	3.5
53.06136	2.6
55.05502	17.4
57.03419	11.3
57.07064	3.3
59.04979	2.9
59.22652	2.5
61.02934	3.8
67.05497	53.9
69.03406	14.0
69.07053	19.3
70.06528	2.7
71.04966	20.2
71.70370	2.9
71.70840	3.3
74.09683	3.1
76.27489	2.6
79.05481	24.7
81.03403	43.8
81.07037	41.0
82.03744	3.1
83.04964	9.0
83.08605	27.3
85.02896	36.5
85.06520	3.5
89.03911	3.1
91.03901	2.9
91.05444	24.0
93.07024	40.1
94.07333	2.8
95.04956	20.6
95.08589	41.1
97.02869	11.1
97.06513	9.2
97.10136	6.3
99.04413	4.3
99.08083	6.3
105.07011	36.3
107.04979	3.1
107.07909	4.3
107.08575	52.6
108.08126	2.9
109.02850	5.4
109.06529	5.3
109.10136	65.0
111.04440	6.6
111.08038	7.5
114.01958	2.5
117.07006	7.9
119.04889	3.2
119.08559	59.5
121.06485	5.6
121.10120	44.4
123.04342	3.9
123.08032	4.8
123.11693	12.8
125.05975	5.0
125.09615	8.8
127.03909	8.6
129.06963	11.7
131.08551	25.6
133.06493	3.3
133.10114	50.9
135.04417	5.0
135.08009	6.4
135.11681	29.3
137.05940	4.7
137.09589	5.4
137.13181	4.7
139.11179	5.6
142.07727	3.3
143.08527	9.3
145.02742	4.4
145.04950	3.6
145.10097	31.7
147.04391	10.4
147.07996	3.1
147.11644	35.3
149.09586	9.1
149.13283	14.9
151.11151	6.6
153.09093	5.0
155.08514	3.3
155.10632	3.1
157.10130	21.8
159.11670	39.6
161.13254	17.6
163.03815	13.5
163.11118	8.6
163.14771	23.9
165.09102	5.2
165.12740	3.3
167.10588	3.7
169.10153	4.1
171.11653	19.1
173.09602	3.3
173.11697	12.2
173.13272	19.2
174.13454	3.7
175.11147	9.1
175.14748	16.2
177.05521	4.6
177.09088	4.4
177.12708	15.3
177.16353	8.4
181.10120	3.6
183.11629	10.3
185.13248	26.4
187.14812	30.1
188.15164	3.7
189.12776	3.9
189.16344	26.8
191.14297	4.2
193.12190	14.2
195.13780	20.1
197.13206	5.6
199.14813	17.8
201.16341	19.1
203.14273	7.7
203.17957	17.5
203.19649	2.4
205.15848	24.1
207.17432	3.5
209.13289	5.7
209.15254	4.2
211.13179	5.4
211.14919	3.3
213.16415	12.0
215.14331	4.1
215.17932	6.6
217.15807	5.3
217.19461	3.4
219.13817	3.6
219.17403	7.3
221.15329	4.0
223.16853	24.0
225.16396	4.1
227.17944	8.9
229.14287	49.2
229.19446	6.2
231.17448	4.5
235.16901	8.2
241.19409	3.9
243.17401	4.1
243.21054	6.3
245.19034	5.3
247.16940	6.4
249.14601	3.6
249.18544	7.7
255.21011	9.2
257.22617	4.2
259.09741	4.5
263.20178	5.4
267.15869	42.1
269.22614	2.6
283.20554	12.2
283.23779	2.8
301.21725	13.5
315.23163	5.3
329.24652	3.1
337.25351	3.7
355.26279	6.3
379.25937	3.0
389.32135	7.6
403.24823	4.1
407.33017	42.7
421.25842	42.2
422.26190	4.0
424.32901	2.8
425.34134	23.1
435.32465	39.1
441.33331	5.8
442.33884	4.5
443.34943	59.0
453.33566	100.0
454.33405	5.8
471.34677	59.6
489.35733	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	669.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.7
62.38604	0.2
67.05489	1.4
69.07055	0.7
70.11813	0.9
71.08606	0.4
75.04472	0.5
79.05473	1.3
81.03406	0.6
81.07048	1.1
83.04992	0.4
83.08607	0.3
91.05444	1.2
93.07035	0.9
95.04966	0.4
95.08587	0.9
97.06548	0.3
99.08064	0.3
102.32778	0.2
105.07023	0.6
107.08588	0.7
107.40014	0.2
109.10137	0.5
117.06965	0.3
119.08596	0.6
120.04508	0.2
121.10139	0.4
123.08187	0.3
129.06982	0.4
131.08530	0.4
133.10167	0.5
145.10109	0.3
147.11662	0.5
148.07570	0.3
155.08623	0.3
155.29073	0.2
156.39075	0.2
161.09590	0.3
171.11539	0.4
211.08575	0.3
277.21707	0.6
299.13513	0.3
300.11456	0.3
328.14600	0.3
363.16132	0.3
376.16772	0.5
377.17657	1.4
378.18250	0.4
379.19379	0.4
390.18637	0.6
391.15298	0.9
391.19724	1.4
392.20047	0.6
393.20654	3.5
394.21350	0.4
401.17853	0.4
402.19006	0.3
403.14880	0.4
403.19379	0.7
404.16287	0.8
405.16275	2.5
405.20999	1.3
406.17703	0.9
406.21820	0.8
407.18655	1.0
418.17621	0.6
419.18671	4.2
420.19382	3.0
420.23859	0.3
421.20175	5.8
422.20956	0.7
429.16806	0.4
430.17935	0.4
431.18600	0.9
432.19177	0.8
433.20212	2.5
434.21841	1.5
435.18045	1.1
435.22589	0.4
437.19476	0.3
444.19629	0.7
445.20276	0.9
447.17334	2.8
448.18637	3.4
449.19656	6.6
450.20355	0.8
451.21582	0.3
459.17844	0.4
461.19977	2.9
462.20724	1.7
463.17245	1.1
463.21689	1.0
464.22986	0.3
471.17731	0.3
473.19839	1.0
474.20370	0.4
475.21902	2.0
476.17801	1.7
477.18915	3.4
478.20242	0.6
479.24734	0.6
489.18591	2.0
490.20187	1.0
491.20441	1.7
492.21838	0.3
493.22598	0.6
494.22940	0.7
495.23859	0.5
503.20773	1.4
504.21268	0.3
505.22842	0.5
507.24084	5.3
508.23788	0.5
517.22504	0.4
520.21930	0.3
521.25299	0.7
522.22748	0.5
523.23456	1.0
531.24481	0.3
534.22479	0.3
535.23419	12.1
536.23950	0.7
549.25055	3.8
550.24927	0.5
557.38306	1.4
559.23486	1.7
561.24939	0.5
563.22839	19.0
564.23230	1.7
567.25629	1.0
577.24365	3.9
578.25189	0.9
579.25916	0.9
581.27515	2.4
591.22498	0.7
595.25421	4.1
609.27057	6.4
610.27344	0.4
619.25116	1.4
623.24890	6.3
624.25140	0.5
637.26599	2.3
638.26752	0.5
641.29694	1.5
669.29083	100.0
670.29425	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	670.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.3
53.03929	0.7
57.03432	0.7
65.03944	0.7
67.05496	1.2
68.99792	1.3
69.03406	2.3
70.06574	0.4
71.04974	1.8
71.70818	0.6
77.03941	0.3
79.05484	1.2
81.03395	1.7
81.07041	0.8
83.04983	1.0
85.02902	3.9
89.03877	1.9
91.05478	1.4
93.03378	0.6
93.07034	0.4
95.04959	1.6
97.02882	6.1
97.03474	0.6
97.06517	0.9
107.04927	2.2
108.08115	0.3
109.02882	0.5
109.06498	0.6
110.03640	0.7
111.04426	3.4
117.03342	3.7
119.04911	0.8
121.02785	0.3
121.06480	0.5
121.10143	0.9
122.03638	0.4
123.04406	4.6
125.05972	25.0
126.06323	0.5
127.03872	0.7
129.05489	0.4
131.04858	0.4
133.02788	0.5
135.04388	9.8
136.07520	0.4
137.05949	7.5
139.03902	1.3
145.01691	0.5
145.02827	6.8
147.04359	0.4
149.06018	0.4
151.03880	9.9
151.05051	0.6
152.04662	1.6
153.05441	47.3
154.05803	1.0
163.03876	100.0
164.04236	2.2
165.05475	9.5
167.07014	9.1
181.04839	1.7
183.06502	68.8
184.06964	1.2
228.33943	0.4
269.63342	0.3
307.08020	1.2
311.11136	0.6
321.53802	0.3
321.57870	0.3
325.09094	14.8
489.13129	0.4
507.15079	1.6
638.23169	1.5
670.27191	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
53.31765	0.2
54.00045	0.2
55.05502	0.3
57.03430	1.6
60.50093	0.2
62.42153	0.2
63.02373	0.4
64.72991	0.2
67.05504	0.2
69.03419	1.6
70.98886	0.3
70.99227	0.4
71.01325	0.2
71.04982	8.9
73.02917	0.2
78.04724	0.2
79.05524	0.2
81.03398	0.4
81.07051	0.3
83.04982	1.0
85.02895	9.1
87.04454	0.2
89.03900	3.3
91.05485	0.6
93.07064	0.4
95.04956	0.5
95.08549	0.2
97.02885	1.7
99.04448	0.7
107.08633	0.2
109.02891	0.4
111.04436	0.5
117.03365	11.1
117.37530	0.2
119.04942	0.4
121.06432	0.3
127.03873	0.5
129.05455	2.6
132.42522	0.2
134.03651	0.5
135.04399	0.9
137.05971	0.6
145.02829	37.7
146.03159	0.4
146.08092	0.7
147.04399	0.8
147.06496	0.9
149.05956	4.4
151.07515	1.3
153.05432	0.4
158.06073	0.2
158.53989	0.2
162.03149	0.2
163.03877	0.8
163.07581	0.4
163.25600	0.2
164.09187	1.2
165.09142	0.3
168.96075	0.2
175.07576	0.3
177.05444	100.0
178.05804	1.1
181.08604	0.4
184.07281	0.2
186.05525	1.0
189.09116	0.4
191.07048	0.3
193.08488	0.4
195.06485	0.9
199.07480	0.2
217.08449	0.2
243.06412	0.3
245.08096	0.2
259.09625	0.3
261.11234	0.4
276.31247	0.2
277.10687	0.3
287.08945	0.5
305.10071	0.7
321.09616	0.4
323.11282	1.5
339.10748	4.7
342.01968	0.2
519.62134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
53.31765	0.2
54.00045	0.2
55.05502	0.3
57.03430	1.6
60.50093	0.2
62.42153	0.2
63.02373	0.4
64.72991	0.2
67.05504	0.2
69.03419	1.6
70.98886	0.3
70.99227	0.4
71.01325	0.2
71.04982	8.9
73.02917	0.2
78.04724	0.2
79.05524	0.2
81.03398	0.4
81.07051	0.3
83.04982	1.0
85.02895	9.1
87.04454	0.2
89.03900	3.3
91.05485	0.6
93.07064	0.4
95.04956	0.5
95.08549	0.2
97.02885	1.7
99.04448	0.7
107.08633	0.2
109.02891	0.4
111.04436	0.5
117.03365	11.1
117.37530	0.2
119.04942	0.4
121.06432	0.3
127.03873	0.5
129.05455	2.6
132.42522	0.2
134.03651	0.5
135.04399	0.9
137.05971	0.6
145.02829	37.7
146.03159	0.4
146.08092	0.7
147.04399	0.8
147.06496	0.9
149.05956	4.4
151.07515	1.3
153.05432	0.4
158.06073	0.2
158.53989	0.2
162.03149	0.2
163.03877	0.8
163.07581	0.4
163.25600	0.2
164.09187	1.2
165.09142	0.3
168.96075	0.2
175.07576	0.3
177.05444	100.0
178.05804	1.1
181.08604	0.4
184.07281	0.2
186.05525	1.0
189.09116	0.4
191.07048	0.3
193.08488	0.4
195.06485	0.9
199.07480	0.2
217.08449	0.2
243.06412	0.3
245.08096	0.2
259.09625	0.3
261.11234	0.4
276.31247	0.2
277.10687	0.3
287.08945	0.5
305.10071	0.7
321.09616	0.4
323.11282	1.5
339.10748	4.7
342.01968	0.2
519.62134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49930	0.1
56.05016	0.5
58.06599	0.4
60.08153	6.8
67.05482	0.6
71.07363	3.7
71.71439	0.2
75.18315	0.1
77.37444	0.1
79.05466	0.5
81.03389	0.2
81.07040	0.4
84.68504	0.1
85.02878	0.2
86.09690	33.9
87.09995	0.2
91.05473	0.5
93.07026	0.6
95.04948	0.2
95.08608	0.3
98.98452	3.5
104.10720	3.6
105.06985	0.4
109.06491	0.1
119.08531	0.3
123.60480	0.1
124.99981	21.9
129.07034	0.2
131.08577	0.2
143.01006	0.3
147.11603	0.2
164.76251	0.2
181.16174	0.1
184.07312	100.0
185.07611	0.8
249.62938	0.1
250.12405	0.1
464.23984	0.3
469.55856	0.1
469.63849	0.1
487.30447	0.2
670.37048	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	671.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	13.1
55.01873	14.4
55.05269	3.5
55.05503	41.2
56.41935	1.9
57.03424	18.4
59.04974	3.0
61.02909	3.3
65.03938	3.2
67.05495	63.3
69.03416	23.5
69.07054	24.1
70.06603	2.7
71.04984	29.9
71.70860	4.8
73.02883	4.2
74.03727	2.7
74.74503	2.3
76.98862	2.2
79.05482	62.9
81.03404	100.0
81.06598	4.5
81.07040	53.9
83.04963	33.2
83.08611	31.2
85.02894	49.1
85.06528	6.6
91.05463	54.3
93.07028	43.6
95.04956	40.2
95.08600	27.1
95.91408	2.5
97.02882	22.5
97.06517	76.9
97.10155	27.6
99.04428	7.4
99.08072	4.6
105.07010	35.5
106.47631	2.6
107.04923	26.3
107.08562	32.4
109.02903	11.4
109.06511	16.2
109.10145	18.1
111.04392	12.0
111.08061	12.6
117.07010	16.3
119.04906	6.5
119.08570	29.4
121.06487	18.9
121.10127	22.8
123.04438	5.7
123.08046	10.2
123.11715	4.5
125.05930	3.0
125.09598	24.6
127.03867	10.7
128.06146	3.1
129.05475	14.8
129.06979	14.4
131.04855	6.6
131.08540	24.3
133.06456	9.2
133.10085	14.4
135.04382	8.1
135.08032	10.2
135.11691	11.9
137.05965	34.3
137.09616	4.7
139.07545	2.5
139.11174	2.5
142.07736	5.6
143.08502	8.5
143.10672	2.6
145.02794	3.7
145.06445	9.2
145.10129	11.5
147.04372	7.3
147.06506	3.2
147.08009	9.2
147.11670	16.4
149.05942	3.8
149.09625	13.3
149.13203	3.3
151.11179	3.7
153.09062	6.3
153.12689	3.9
155.08504	4.8
157.06416	5.8
157.10071	15.2
159.06583	2.3
159.08040	6.5
159.09248	2.7
159.11627	6.5
161.05969	6.4
161.09596	4.9
161.13356	3.0
163.02628	4.4
163.03882	47.4
163.07474	4.8
163.11131	8.7
163.14825	2.6
165.12764	4.9
167.06993	2.6
167.08444	3.3
167.10611	5.9
169.06491	2.5
169.10097	5.1
171.08003	3.8
171.10211	3.6
171.11684	7.9
173.04420	10.0
173.09549	4.4
173.11780	2.6
173.13193	4.0
175.07492	3.8
175.11136	15.8
177.09180	2.8
177.12675	3.9
181.10088	3.5
181.12239	3.1
183.11667	4.3
185.09639	4.6
187.07512	3.1
187.14836	3.7
189.09132	7.1
189.11200	12.5
189.12685	4.8
191.10651	5.1
193.12224	34.1
195.11707	4.2
197.13222	3.9
199.07433	2.5
199.11162	4.9
199.13170	3.7
203.14209	2.8
205.12163	4.8
209.11700	3.4
211.11232	5.6
211.13249	22.4
211.14943	2.9
215.07040	3.0
215.10643	7.4
215.14253	3.4
217.12213	3.2
219.13777	10.3
225.14754	4.0
227.12700	16.1
229.12245	2.8
229.14287	3.8
233.11673	67.7
233.15195	13.2
235.13324	3.2
241.04854	2.7
249.14830	4.6
255.13708	4.6
259.09625	6.4
263.16367	2.6
267.13275	2.5
267.15927	38.0
273.14706	5.5
283.15247	3.2
285.17096	4.8
293.17615	4.3
301.14041	3.6
311.16208	7.8
329.06366	9.3
329.17416	27.1
331.08170	7.8
347.18414	5.1
349.21542	9.2
357.24332	4.1
367.22632	28.6
385.23651	40.5
399.25104	2.5
403.24783	17.9
411.19995	2.5
417.26031	2.8
441.26318	10.6
459.27325	91.8
460.27438	4.2
477.28439	86.5
478.28864	3.2
491.30203	21.4
509.30801	10.5
621.32672	11.4
653.33911	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	9.3
55.01852	9.3
55.05505	34.2
57.03423	12.0
57.07056	3.1
61.02913	6.1
65.03924	6.0
67.05141	4.6
67.05497	88.8
69.03423	27.9
69.07061	32.9
71.04981	10.0
71.71645	3.0
73.02926	3.4
79.05483	74.5
80.05784	2.1
81.03407	33.8
81.07047	100.0
82.07401	2.3
83.04967	13.7
83.08616	23.0
85.02888	11.4
85.06515	5.6
87.04488	2.0
91.03956	3.3
91.05464	80.4
92.05792	2.4
93.07034	82.2
95.04952	28.5
95.08004	2.8
95.08594	50.8
97.02864	10.6
97.06529	12.8
97.10152	7.1
99.04456	5.2
99.08054	1.8
103.05402	2.5
105.04496	3.7
105.06335	3.6
105.07018	61.0
107.04948	19.5
107.08573	42.9
109.02854	8.0
109.06473	10.5
109.10163	16.2
111.04437	10.0
111.08055	4.3
113.05965	2.6
115.05453	6.7
116.22974	1.8
117.07002	35.5
119.08573	35.1
121.06493	9.6
121.10126	28.3
122.10490	2.8
123.04426	2.2
123.08044	5.5
123.11699	10.3
125.09609	3.5
127.03909	5.4
128.06186	10.5
129.05438	2.4
129.06985	23.8
131.04877	4.2
131.08553	40.4
133.06461	6.2
133.10109	31.3
135.07991	9.2
135.11667	22.3
137.05949	4.0
137.09631	4.8
137.13246	2.9
139.11156	3.3
141.06970	11.3
142.07703	5.7
143.08562	24.9
144.09286	2.2
145.06459	8.3
145.10104	30.2
147.08012	7.2
147.11670	28.0
149.09567	5.7
149.13216	14.2
151.07498	3.4
151.11159	3.7
153.06923	3.2
154.07751	3.1
155.08527	17.3
156.09204	2.8
157.06476	4.7
157.10124	22.2
158.41110	2.0
159.08029	6.2
159.11653	21.3
161.09625	4.7
161.13237	8.2
163.03899	2.9
163.06039	2.7
163.07417	3.0
163.11125	6.3
165.06989	4.5
165.12726	8.0
166.07690	3.8
167.08553	10.4
169.10089	18.4
171.08070	7.5
171.11685	17.6
171.36745	2.1
173.09630	7.5
173.13208	9.3
175.11145	4.6
175.14828	2.6
177.12729	7.7
179.08589	9.2
181.06412	2.2
181.10083	12.7
183.08191	4.4
183.11594	9.9
184.07283	1.9
185.09644	5.5
185.13249	12.6
187.11162	6.5
187.14796	2.5
189.12697	2.4
192.09331	3.2
193.10143	4.3
195.08008	5.1
195.11708	12.6
195.13773	7.1
197.09578	6.4
197.13162	11.1
199.11169	5.1
199.14813	5.6
201.12692	4.8
205.10106	4.1
207.11687	5.5
209.09578	2.7
209.13297	6.4
211.11151	4.6
211.14816	6.5
213.12799	5.0
213.14703	3.5
215.14311	4.8
219.11700	2.9
219.13661	2.2
219.21095	3.0
220.21390	4.7
221.13327	3.4
223.11110	2.2
223.14807	6.0
225.12686	3.6
225.16389	2.6
227.14340	3.6
231.13840	2.4
233.13174	4.4
235.14865	3.7
237.12740	3.5
237.22072	8.2
238.22456	8.4
239.14278	3.9
241.15776	3.3
241.19467	3.5
255.17363	2.9
257.18964	3.6
259.20508	7.0
267.15912	4.5
269.17413	16.1
271.20416	5.5
273.18423	2.5
275.20169	3.7
277.21506	2.1
283.20319	2.6
285.17029	5.0
285.22186	2.2
289.21515	3.4
291.19473	4.4
299.19925	3.8
301.21545	3.6
307.20364	2.4
309.21893	3.0
311.25842	5.3
312.26053	7.6
313.21609	5.7
315.23129	3.3
321.22092	4.1
325.21555	5.3
329.26877	2.7
330.27182	5.7
333.21588	2.8
337.21634	2.9
339.23080	8.3
341.24454	2.5
343.22574	2.3
349.21475	9.2
351.23166	7.3
367.22647	13.5
369.24179	5.6
385.23779	7.2
395.20483	3.0
423.25156	3.0
441.26334	6.1
443.27866	3.0
459.26877	4.1
527.36816	2.4
543.35345	2.5
559.36298	3.4
573.35199	2.4
579.37360	2.2
581.38269	2.7
593.38342	2.6
617.38580	3.4
623.39111	5.9
635.39154	19.1
653.40515	30.9
655.92535	1.9
671.41541	55.8
672.41406	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23046	2.3
53.03933	5.5
55.01862	2.7
55.05501	18.5
57.03423	7.0
57.07061	16.2
61.02924	6.3
67.05498	31.9
69.03429	14.5
69.07053	58.8
70.06548	3.9
71.04981	25.7
71.08614	6.0
71.95647	2.3
79.05489	18.6
79.26262	2.6
81.03401	7.5
81.03957	2.4
81.07047	100.0
83.04976	8.3
83.08608	33.0
85.02889	60.7
85.06522	12.3
85.10197	3.9
86.09679	2.4
87.04459	2.7
91.05444	16.8
93.07043	26.6
94.07360	3.2
95.04940	3.6
95.08593	93.5
97.02874	8.3
97.06514	65.9
97.10149	18.8
99.04430	5.7
99.08070	10.9
105.07001	10.7
107.04935	6.3
107.08595	26.3
109.02857	7.5
109.10144	54.7
111.04426	6.3
111.08037	6.3
111.11697	20.0
117.03355	8.3
119.04930	5.3
119.08556	9.3
121.10114	12.4
123.11682	34.9
125.09595	4.5
125.13239	12.6
127.03899	11.2
129.05452	7.7
129.07043	3.5
131.04889	3.6
131.08537	4.0
133.10052	6.2
135.04364	7.0
135.11650	13.7
137.05949	32.6
137.13235	26.4
137.78870	3.0
139.14803	4.1
143.14333	3.6
144.18019	2.5
145.02832	25.5
145.04890	8.1
145.06441	2.4
145.10081	5.5
146.03191	8.0
147.04398	12.3
147.11691	6.0
149.05984	6.6
149.09549	5.2
149.13242	24.0
150.06262	3.2
151.03870	4.0
151.14780	18.0
155.08553	3.3
155.14262	4.9
157.10095	3.5
157.41905	2.3
159.07948	4.0
159.11644	2.7
161.05934	3.2
163.03882	21.0
163.06013	5.9
163.07475	4.6
163.14783	9.7
165.05524	4.0
165.16376	7.2
167.07027	4.9
167.14287	18.1
169.15816	3.8
177.05449	53.5
178.05795	27.7
183.17535	4.3
189.09071	7.4
193.19496	3.4
199.07484	2.4
201.09132	2.9
215.10648	16.3
219.21133	3.6
233.11705	69.3
237.22130	3.7
275.27344	14.1
281.28345	15.9
283.10928	2.8
285.14862	5.4
293.28366	41.9
305.35263	2.9
311.16324	9.1
311.29352	17.5
325.11063	3.8
329.17426	23.2
331.08017	4.0
332.08298	5.2
340.67886	2.6
347.18661	4.7
357.16953	2.7
604.47382	2.8
671.38269	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	671.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17985	2.3
55.01870	5.6
55.02717	2.1
55.05499	23.4
57.03421	8.7
57.07071	15.1
59.04957	2.5
61.02904	3.5
67.05496	26.3
69.03421	13.6
69.07058	63.3
71.04995	12.6
71.08614	7.1
71.36689	2.2
71.70736	2.4
73.02899	3.5
79.01820	2.4
79.05478	18.2
79.60489	2.3
81.03385	10.7
81.07047	100.0
83.04960	4.8
83.08606	36.5
85.02895	69.5
85.06531	13.7
85.10158	2.8
86.09674	3.3
89.03900	2.2
90.88437	2.3
91.03902	3.2
91.05462	11.3
93.07040	30.6
95.04932	3.4
95.08593	89.2
97.02864	13.8
97.06517	19.9
97.10162	24.9
99.04453	4.6
99.08071	10.4
103.05365	2.8
105.07014	10.4
106.06555	2.6
107.04963	2.4
107.08571	32.2
109.02854	8.2
109.09413	3.1
109.10146	58.5
111.04430	2.6
111.08060	5.8
111.11710	21.8
113.09619	2.7
117.07094	2.0
119.04929	15.2
119.08563	5.6
121.06501	3.0
121.10130	21.9
122.15321	2.3
123.11694	44.1
125.09604	3.0
125.13219	11.4
127.03914	14.9
129.05418	2.8
131.04890	2.3
131.08533	3.7
133.10118	3.2
135.04398	3.5
135.11700	10.9
137.02359	2.5
137.05978	24.0
137.09576	2.3
137.13242	26.9
138.06319	2.3
139.14847	5.0
143.08490	2.5
145.02849	16.4
145.04922	17.6
145.10123	4.6
146.03249	3.6
147.03287	4.6
147.04391	55.4
147.07968	2.8
148.04752	3.1
149.05980	2.9
149.13243	34.1
151.03888	4.8
151.07553	4.3
151.14812	12.8
153.05472	2.3
153.12726	3.8
155.14262	6.0
159.08112	2.7
161.05936	2.8
163.03877	17.1
163.06023	10.8
163.07408	4.5
163.14815	9.8
165.05415	4.8
165.09023	2.6
165.16388	8.4
167.14325	8.2
169.15863	3.7
177.05461	37.9
177.16388	3.5
178.05811	15.1
179.17883	8.5
185.09782	2.6
189.09097	3.3
193.19562	5.4
205.19496	3.0
205.40395	2.4
219.21086	3.0
233.11682	27.6
249.25777	4.6
275.27274	22.0
293.28348	63.0
301.07117	4.8
302.07224	5.2
303.07571	5.6
311.15829	2.6
311.29410	19.3
325.11215	5.5
329.17395	6.8
346.72598	2.4
671.38678	8.9
702.39984	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	671.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.8
53.97568	2.6
55.01867	4.0
55.05505	24.9
57.03426	12.2
57.07060	14.9
57.56200	2.4
61.02923	3.3
66.78658	2.6
67.05495	31.5
69.03416	16.3
69.07054	53.6
70.06580	5.4
70.37006	2.5
71.04977	31.3
71.08604	3.8
71.70035	4.0
71.70480	2.9
73.02897	3.4
79.05490	28.0
79.13171	2.8
81.03403	15.7
81.07045	100.0
83.04964	10.3
83.08620	32.1
85.02889	82.6
85.06528	12.8
85.10164	2.8
86.09691	4.6
87.04429	3.2
89.03903	6.9
91.03914	3.3
91.05457	21.5
93.07018	28.9
95.04935	8.2
95.08593	89.3
95.09206	5.6
97.02877	13.2
97.06516	77.6
97.10145	17.2
99.04408	2.6
99.08083	9.6
101.60934	2.8
105.07025	12.4
107.08583	23.6
109.02855	11.3
109.06496	6.8
109.10136	52.1
111.04456	8.1
111.08079	11.3
111.11681	18.8
113.09646	3.6
117.03368	8.9
117.07008	3.9
119.04943	5.3
119.08563	11.4
120.08916	2.6
121.02834	2.9
121.06508	4.4
121.10134	17.9
123.08138	2.8
123.11703	35.1
125.09640	4.4
125.13264	7.9
127.03892	13.6
129.05464	12.8
129.06972	6.8
131.04907	4.4
131.08582	5.7
133.10133	7.6
135.04381	4.2
135.08017	4.5
135.11667	12.1
137.05949	42.2
137.13235	19.1
139.14812	4.0
143.08514	3.0
144.34003	2.5
145.02840	25.6
145.04964	10.2
145.06494	4.8
145.10124	6.8
146.03197	10.8
147.04398	15.1
147.06532	2.8
147.11681	4.2
149.05983	7.5
149.09610	6.2
149.13223	32.6
151.03908	5.1
151.14786	12.6
153.12761	3.0
155.14317	5.1
155.20610	2.8
157.06526	3.9
157.10106	5.0
157.98129	2.9
159.11673	6.8
161.05942	3.7
161.13275	3.5
163.03900	27.0
163.07471	2.9
163.11180	4.7
163.14809	8.9
165.16367	10.6
166.05005	2.8
167.07021	8.1
167.14273	17.3
169.12282	4.0
171.10129	2.5
171.11722	4.2
173.05946	5.5
173.09679	3.3
175.07480	4.9
175.11020	3.5
177.05460	67.4
177.16483	3.3
178.05780	19.6
179.17996	3.1
185.13272	3.7
187.07591	3.7
189.09079	6.3
191.06937	4.0
191.17885	3.6
193.19388	3.6
202.54245	2.7
203.06987	2.9
208.08858	3.3
211.13138	4.7
211.78842	2.8
215.07040	3.5
215.10590	22.8
223.20526	3.3
227.10612	3.2
227.12648	3.1
229.12234	3.0
233.11694	95.2
259.09830	4.2
263.26959	2.7
275.27200	17.8
281.28378	8.2
285.14682	4.3
293.28333	38.1
311.16330	9.5
311.29346	20.9
329.17380	24.8
329.30530	4.3
331.08109	3.7
332.08493	3.2
333.08783	3.9
347.18375	7.8
510.22311	3.0
510.29742	3.1
517.45026	3.4
627.20123	4.5
671.18109	4.8
671.38171	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	672.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71916	0.3
55.05506	0.3
57.03422	1.5
59.80161	0.3
69.03414	1.3
71.02691	1.1
71.04980	9.4
75.04471	0.8
76.85599	0.4
79.05472	0.8
81.03416	0.3
83.04956	0.9
85.02895	10.0
89.03895	1.8
97.02876	3.4
99.04445	0.7
103.16694	0.4
107.04950	2.5
109.02837	0.4
111.04443	0.5
117.03350	3.2
119.04840	0.4
123.04417	0.8
127.03931	0.7
127.04750	0.3
129.05449	3.4
135.04396	9.8
145.02817	8.2
147.06508	1.2
153.05460	2.4
163.03880	100.0
164.04237	1.8
164.09190	0.4
165.05446	0.4
177.05426	0.4
181.04985	1.7
189.05545	0.4
273.07251	0.3
286.60034	0.3
291.08649	0.4
309.09717	1.4
325.09137	17.4
326.09424	0.5
439.39267	0.4
471.14847	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.9
53.03933	3.3
55.01853	1.0
55.05490	2.3
57.03414	2.3
67.05498	2.6
69.03418	9.1
69.07044	2.1
71.04971	3.0
71.70245	1.7
73.02910	1.0
73.34900	0.8
75.04475	1.1
77.03897	0.7
78.21892	0.8
79.05482	13.9
81.03412	8.4
81.07043	7.4
83.04941	1.8
85.02895	9.5
91.05473	9.7
93.07029	43.9
95.04945	3.2
95.08597	4.7
97.02881	6.2
97.06499	5.4
99.04440	3.1
103.05381	0.8
105.07013	11.2
107.04910	1.6
107.08573	13.3
109.02868	3.6
109.06490	2.6
109.10107	1.0
111.04423	1.8
111.08042	1.1
119.04906	3.4
119.08556	10.2
121.06484	3.3
121.10124	100.0
122.10410	1.7
123.08057	3.8
123.11676	6.3
125.05972	1.3
127.03907	4.5
129.05458	2.0
129.06990	1.7
131.04913	0.9
131.08537	5.9
133.06470	2.0
133.10115	1.7
135.11679	0.9
137.05969	3.0
139.11148	3.2
145.04971	1.5
145.06407	1.1
145.10069	1.9
147.04391	13.9
147.07997	2.8
147.11685	0.9
149.09593	32.3
159.07977	1.3
161.09605	0.9
161.13171	0.9
163.03871	2.1
165.09158	1.1
167.10658	23.4
173.09593	0.8
177.05434	0.7
185.05989	1.0
185.09509	0.9
189.09105	1.5
215.10677	1.3
215.72820	0.8
226.60884	1.0
233.11670	9.7
247.13237	1.4
249.12762	1.1
265.14319	1.1
267.13885	1.5
275.12863	1.2
281.98276	0.8
283.15353	4.2
285.14883	2.2
293.13727	5.9
295.13391	1.3
311.14822	18.9
313.14337	1.5
329.17252	2.1
346.98425	0.7
389.45026	0.8
457.18597	1.3
554.11841	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.9
53.03933	3.3
55.01853	1.0
55.05490	2.3
57.03414	2.3
67.05498	2.6
69.03418	9.1
69.07044	2.1
71.04971	3.0
71.70245	1.7
73.02910	1.0
73.34900	0.8
75.04475	1.1
77.03897	0.7
78.21892	0.8
79.05482	13.9
81.03412	8.4
81.07043	7.4
83.04941	1.8
85.02895	9.5
91.05473	9.7
93.07029	43.9
95.04945	3.2
95.08597	4.7
97.02881	6.2
97.06499	5.4
99.04440	3.1
103.05381	0.8
105.07013	11.2
107.04910	1.6
107.08573	13.3
109.02868	3.6
109.06490	2.6
109.10107	1.0
111.04423	1.8
111.08042	1.1
119.04906	3.4
119.08556	10.2
121.06484	3.3
121.10124	100.0
122.10410	1.7
123.08057	3.8
123.11676	6.3
125.05972	1.3
127.03907	4.5
129.05458	2.0
129.06990	1.7
131.04913	0.9
131.08537	5.9
133.06470	2.0
133.10115	1.7
135.11679	0.9
137.05969	3.0
139.11148	3.2
145.04971	1.5
145.06407	1.1
145.10069	1.9
147.04391	13.9
147.07997	2.8
147.11685	0.9
149.09593	32.3
159.07977	1.3
161.09605	0.9
161.13171	0.9
163.03871	2.1
165.09158	1.1
167.10658	23.4
173.09593	0.8
177.05434	0.7
185.05989	1.0
185.09509	0.9
189.09105	1.5
215.10677	1.3
215.72820	0.8
226.60884	1.0
233.11670	9.7
247.13237	1.4
249.12762	1.1
265.14319	1.1
267.13885	1.5
275.12863	1.2
281.98276	0.8
283.15353	4.2
285.14883	2.2
293.13727	5.9
295.13391	1.3
311.14822	18.9
313.14337	1.5
329.17252	2.1
346.98425	0.7
389.45026	0.8
457.18597	1.3
554.11841	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01855	2.0
55.05497	2.2
57.03426	5.5
61.02896	0.6
63.31501	0.5
67.05503	2.6
69.03409	1.4
69.07052	8.2
69.53869	2.0
69.54288	2.8
71.01344	0.9
71.04981	21.7
73.02902	1.6
75.04453	2.0
79.05487	7.6
81.03385	2.0
81.07043	3.4
83.04973	6.7
83.08585	0.6
85.02893	32.3
87.04418	0.9
87.50390	0.5
91.05453	5.6
93.07003	0.9
95.04954	2.6
95.08582	0.6
97.02881	2.0
97.06515	63.6
99.04436	0.7
105.06998	1.0
107.04932	0.5
109.02856	0.8
111.04420	8.9
111.55852	0.5
113.05958	1.0
115.05385	0.7
117.06999	0.8
119.04912	3.7
119.08589	1.0
127.03895	1.8
129.04547	0.9
129.05469	9.8
129.07008	0.7
131.04933	0.9
131.08546	1.1
135.04372	1.1
137.05956	39.7
141.06961	1.0
143.08501	1.1
144.85774	0.5
145.06490	1.2
146.08173	0.6
147.04372	2.0
147.06500	5.5
147.07564	0.7
149.05968	1.7
149.09538	0.6
151.07523	0.6
151.29579	0.5
153.07062	0.5
157.06461	0.8
157.10089	1.3
159.08046	1.9
161.05942	1.3
163.03851	2.1
163.07501	1.1
164.09161	0.7
169.10101	1.5
171.04413	0.5
171.08070	1.1
173.05943	1.3
175.07538	0.8
177.09081	0.8
183.08104	0.8
185.05920	0.7
185.09563	1.8
186.06776	0.9
187.07501	1.3
187.11211	0.7
189.09064	5.0
191.07057	1.0
191.10655	0.8
197.09566	1.9
199.07524	1.3
199.11153	0.8
201.09113	2.4
203.10674	0.8
204.06444	0.5
205.12216	1.3
209.09605	0.8
211.11139	1.7
213.09021	3.5
214.09911	1.0
215.10622	14.2
216.11142	0.6
223.11064	0.6
225.09132	0.9
227.10620	1.3
229.12196	1.7
231.10202	1.9
232.10960	0.9
233.11690	100.0
234.12080	2.1
239.14273	0.7
243.11230	1.1
255.08530	0.8
255.13823	0.9
257.15128	0.7
259.09384	0.8
261.11270	1.3
267.13806	1.6
269.11603	0.6
281.15210	0.7
285.12149	1.7
285.14853	5.1
287.12695	1.6
289.14359	2.1
293.15250	2.0
301.17801	0.7
303.15848	1.5
309.11649	0.6
311.16367	10.0
317.14774	1.5
327.15903	0.7
329.17426	48.3
330.17859	1.2
339.15784	0.7
347.18475	5.2
357.16910	1.0
371.13641	0.6
371.18582	0.9
421.20047	1.2
439.21057	1.7
457.22034	1.5
475.23007	2.1
561.92578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70914	0.9
53.03936	2.5
55.01861	3.3
55.05511	5.2
57.03424	7.8
61.03364	1.1
61.56309	1.1
63.90371	1.0
67.05496	7.4
69.03410	4.3
69.07059	17.7
71.01337	1.4
71.04979	35.7
71.70844	1.5
73.02882	1.4
75.04453	2.3
79.05476	11.7
81.03395	8.3
81.07040	9.8
83.04967	14.7
83.08605	2.6
85.02893	50.7
87.04440	1.6
91.05470	13.2
93.07021	3.6
95.04958	5.6
95.08581	3.3
97.02879	4.7
97.06519	35.3
99.04453	3.6
100.65476	1.0
105.07021	4.3
107.04925	2.4
107.08574	2.9
108.08121	1.1
109.02846	1.2
109.06503	2.2
109.10157	2.7
111.04416	8.9
117.06990	2.9
119.04916	6.7
119.08537	3.7
120.08101	1.7
121.10151	3.0
123.04384	1.5
124.07561	1.4
127.03889	3.3
129.05455	17.1
129.06985	2.8
131.04918	1.4
131.08560	3.1
133.10086	2.0
135.04437	3.8
135.11678	1.6
136.07542	1.5
137.05952	64.5
142.07732	1.3
143.08517	2.7
144.04417	1.8
145.02832	2.4
145.06483	2.6
145.10123	3.1
147.04353	1.7
147.06538	6.2
147.08090	2.1
147.11723	1.6
149.05951	2.6
149.09581	1.3
155.08604	1.1
157.06470	2.5
157.10112	4.3
158.07269	1.2
159.07947	1.5
161.05949	3.3
163.03888	15.2
163.07542	1.3
163.11165	3.5
164.04233	3.1
164.09241	1.5
166.08661	1.9
168.61613	1.2
169.06502	1.4
169.10088	2.6
171.07974	2.7
172.03961	5.1
173.06027	2.2
173.09673	2.9
175.07536	2.2
175.11206	1.9
177.09062	1.6
181.04970	2.3
181.12265	1.1
185.05870	1.6
185.09610	3.9
186.06764	2.3
187.07452	3.0
189.05145	1.2
189.09099	3.5
191.07021	2.7
191.86478	1.3
193.12231	2.3
197.09595	2.9
198.09103	4.5
199.07558	2.8
199.11177	1.8
201.09070	4.2
203.10687	3.0
204.06540	4.9
205.12184	1.3
211.11131	1.4
211.13171	2.5
213.09103	3.5
214.09868	4.1
215.10556	27.6
216.11276	1.3
227.10535	2.0
227.12766	2.4
229.12260	1.2
231.10133	3.3
232.10915	3.9
233.11684	100.0
243.11371	21.0
251.12540	1.2
257.12564	1.2
257.15570	1.1
261.11264	2.0
267.13599	2.7
267.16040	2.2
269.11716	1.6
283.15442	3.2
285.12262	18.9
285.14944	1.6
287.12936	5.2
289.14386	1.5
293.15295	4.9
309.11823	2.0
310.15454	1.3
311.16354	19.4
317.14941	17.6
329.17429	80.4
330.17853	2.6
341.17499	1.5
347.18488	4.2
365.17352	1.2
371.18491	1.5
421.20087	1.6
439.20898	4.6
457.21945	2.0
475.22208	1.9
493.28296	5.4
497.18454	1.6
637.33160	1.3
655.27094	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	672.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
55.01864	3.9
55.05502	13.4
57.03413	8.9
59.04991	1.7
60.07045	1.4
61.44558	1.3
62.21338	1.3
67.05493	26.4
69.03410	3.7
69.07060	7.6
69.62848	11.8
71.04980	5.2
79.05482	35.5
81.03403	16.8
81.07043	31.5
83.01319	3.3
83.04974	21.1
83.08607	8.4
85.02885	3.1
85.53229	1.3
90.27644	1.4
91.03957	1.6
91.05460	37.7
93.07034	31.7
95.04954	12.2
95.08099	1.3
95.08608	11.1
97.02865	4.7
97.06516	7.3
97.10167	2.5
99.04450	1.6
105.07011	21.2
107.04940	14.8
107.08574	12.6
109.06487	5.1
109.10129	2.4
111.04440	1.7
111.08031	2.8
114.85473	1.5
115.05415	2.6
117.07016	6.5
119.08559	16.5
121.06491	3.8
121.10137	8.7
123.08044	6.1
125.05977	1.8
127.03917	2.0
128.06303	1.6
129.06979	10.5
131.08566	10.3
133.06450	1.8
133.10097	23.1
135.08015	2.1
135.11667	5.9
137.09599	1.8
142.07787	2.1
145.10121	12.0
147.08060	3.5
147.11662	10.8
149.09584	2.7
155.08572	1.6
157.10100	11.6
163.03954	3.2
163.11151	13.5
173.09570	3.7
175.11188	11.4
181.12215	1.9
184.07320	1.6
191.10640	3.0
193.12230	10.2
209.11728	3.0
265.14307	3.5
267.15869	82.5
283.15350	41.3
285.10046	1.5
457.25714	6.6
475.26868	100.0
476.27032	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66145	0.5
55.05504	4.1
57.03431	4.4
57.07066	36.2
57.67738	0.5
61.02617	0.8
61.02919	13.7
67.05494	11.4
69.03423	2.4
69.07059	7.9
70.21746	2.2
71.04990	0.5
71.08620	29.6
72.08974	0.6
73.02908	4.6
75.04475	2.4
79.05465	1.7
80.02835	0.5
81.03401	1.5
81.07047	16.2
82.07384	0.6
83.08611	11.2
85.02383	0.8
85.02892	16.3
85.06537	0.8
85.10168	16.4
85.10684	0.8
91.03944	13.2
91.05462	1.2
93.07030	1.2
94.07349	0.6
95.04933	0.9
95.08596	23.7
97.02871	8.7
97.10159	5.4
98.20775	0.7
99.04398	0.6
99.08073	0.5
99.11710	1.1
103.07543	0.6
105.07037	1.3
107.08578	0.9
109.02864	0.9
109.10136	12.3
109.17289	0.6
111.11704	1.4
115.03930	0.7
119.76018	0.5
121.10126	1.1
123.11702	4.3
125.13247	1.3
127.03897	5.4
131.08582	0.6
131.10547	0.6
133.10135	0.8
137.13254	2.5
138.44205	0.4
145.04929	7.9
151.14828	0.7
162.54178	0.5
163.05997	11.1
184.97604	0.4
221.22699	1.1
239.23662	19.5
257.24707	3.9
313.27319	100.0
314.27689	2.1
331.28394	34.7
332.28879	1.0
636.39795	0.6
654.40997	0.5
672.29688	1.6
672.41650	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67106	0.6
53.03927	0.8
55.01861	0.6
55.05506	5.2
57.03437	4.6
57.07067	35.6
61.02916	12.3
64.91422	0.6
67.05491	11.2
68.09888	0.5
69.03413	2.0
69.07057	9.1
71.04980	0.9
71.08618	27.9
71.45070	0.9
73.02905	5.0
75.04457	2.2
79.05500	2.5
81.03412	1.4
81.07041	15.5
82.07391	0.6
83.04933	0.6
83.08605	12.1
85.02893	13.4
85.06517	0.8
85.09674	1.1
85.10172	18.6
89.06014	1.0
91.03941	11.7
91.05469	2.1
93.07024	3.0
95.04932	0.9
95.08594	22.7
95.09198	1.2
97.02876	8.1
97.06543	0.7
97.10146	5.7
99.04449	1.3
99.08072	0.7
99.11703	1.4
103.07430	0.6
105.07011	1.8
107.08582	1.5
109.02868	1.3
109.10137	10.9
111.08021	0.8
111.11702	1.6
117.09142	0.7
119.08556	1.2
121.06452	0.6
121.10168	1.1
123.11692	5.1
125.13250	0.9
125.93588	0.5
127.03912	6.3
131.08492	0.6
135.11659	1.0
137.13223	1.9
139.14810	0.7
145.04935	5.1
161.13281	0.6
163.03854	0.6
163.06003	7.4
195.97166	0.5
221.22635	1.1
232.51718	0.5
239.23659	24.1
240.23920	0.5
257.24768	3.5
286.08481	0.6
298.27423	1.0
311.26031	0.6
313.27319	100.0
314.27628	3.1
331.28372	25.5
332.28711	1.0
332.40680	0.5
416.54395	0.8
475.32599	2.9
629.23004	0.7
640.27374	0.7
654.40912	0.8
672.30634	1.6
695.82330	0.6
704.14935	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.7
57.07056	1.4
66.47095	0.5
67.05497	2.0
69.67883	1.6
69.68293	2.8
71.08598	0.6
79.05462	1.2
81.03381	0.8
81.07071	1.0
83.08590	0.6
89.06013	2.8
91.05486	1.4
93.07032	1.8
95.08620	0.7
98.20746	1.0
105.07008	0.8
107.08574	0.9
109.10150	0.7
119.08551	0.8
133.08620	1.5
164.87025	0.6
337.89456	0.6
342.74319	0.6
398.84964	0.5
410.26865	0.6
515.24396	0.6
523.17395	2.4
524.18219	0.7
527.20862	0.7
541.18329	3.6
556.20679	1.1
561.28741	0.6
599.22626	1.3
642.24451	4.2
643.25476	1.3
673.26221	100.0
674.26520	10.0
695.02264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.9
55.05481	2.0
56.62839	0.5
57.03422	2.5
59.52848	0.5
61.02903	0.8
62.36169	0.5
65.03922	0.7
67.05487	2.8
69.03394	1.7
69.07050	3.2
70.06592	0.5
70.37721	1.3
70.38113	1.2
71.04978	5.8
72.05281	1.1
73.02866	0.6
75.04441	0.8
79.05492	4.1
81.03410	3.5
81.07056	3.7
83.04941	2.1
85.02890	9.9
86.03194	1.2
87.04395	0.8
91.03900	0.5
91.05466	3.7
93.01950	0.5
93.07011	3.9
94.06539	2.4
95.04913	2.0
95.07293	1.2
95.08564	2.1
96.08114	3.0
97.02868	1.2
97.06056	0.4
97.06512	5.7
97.10137	0.8
98.06839	1.2
98.48671	0.5
99.04402	0.9
105.07016	1.3
106.06511	0.7
107.04939	0.9
107.08538	1.6
108.04449	0.7
108.08099	2.4
109.02861	0.8
109.06541	0.6
109.10126	2.8
110.09679	5.0
111.04398	1.9
111.08028	1.0
116.04942	2.0
116.42632	0.5
117.06985	1.0
118.06541	0.6
119.04894	1.2
119.08516	2.1
120.05251	0.6
120.08104	3.3
121.06493	0.6
121.10115	1.6
122.06007	4.3
124.07558	3.6
127.03902	1.1
129.05417	2.8
129.06956	1.1
130.05771	0.8
131.04941	0.5
131.08488	0.8
133.10048	1.1
135.04362	1.0
135.11670	1.2
136.07558	4.9
137.05949	9.6
138.06314	2.4
138.09135	4.9
141.06953	0.7
143.08548	0.8
144.04401	3.7
145.02782	0.7
145.05130	0.6
145.10036	1.8
146.05954	1.0
147.06473	1.8
147.11641	1.0
148.07521	1.2
149.05907	0.6
150.05408	1.6
155.08522	1.0
157.10101	1.2
160.03862	0.9
160.07591	0.8
162.05446	2.6
163.03874	2.0
163.11081	0.6
164.04291	0.6
166.08620	9.2
167.07060	0.9
168.08099	0.8
169.10081	0.6
170.09615	3.5
172.03908	18.5
172.07483	0.9
172.11180	1.3
175.08638	1.1
175.11150	1.0
180.07889	0.6
182.04379	0.5
184.07426	1.0
184.11137	0.8
187.12315	5.3
188.10657	0.6
190.04996	5.2
193.12193	0.9
198.09102	22.0
199.09172	0.5
200.09323	2.2
200.10910	1.1
201.09047	0.8
204.06538	26.6
209.33698	0.6
211.13239	0.8
212.10725	4.9
212.77069	0.5
215.11868	16.4
216.10942	1.8
225.10176	2.0
226.08635	5.2
227.08382	0.6
227.11800	0.9
228.08830	0.8
229.13466	0.7
230.10437	0.6
231.11247	0.6
232.10818	1.0
233.11662	13.3
233.13972	0.8
234.12038	9.4
234.80717	0.6
239.11749	0.7
240.10201	2.2
241.09676	1.6
241.13347	1.5
242.10452	2.2
242.68349	0.6
243.11252	95.1
244.11559	2.1
249.10156	0.6
253.09708	0.6
255.11275	6.1
256.11945	1.5
257.04440	1.3
257.12836	5.1
267.11243	1.4
269.08975	1.0
272.04086	0.6
279.11209	0.9
283.10593	0.7
283.15240	0.6
284.11493	1.0
285.12286	100.0
286.12585	2.0
287.05453	2.4
288.13037	0.7
294.15729	0.6
297.12311	1.4
311.05396	0.7
311.16217	1.7
312.16718	2.4
315.13275	4.3
316.14194	1.0
317.14920	86.0
318.15329	2.5
325.11694	5.0
329.17471	7.6
330.17789	10.6
343.12698	0.9
347.18582	0.7
357.14557	1.5
413.17758	0.7
432.19095	1.9
435.14044	0.7
439.26703	0.9
440.21567	0.9
458.22867	0.6
470.17053	1.8
476.18274	2.9
479.17023	5.5
488.18109	3.9
490.19537	2.3
493.27802	0.8
497.18060	7.0
498.18100	0.9
501.23163	0.9
502.19644	0.9
508.20990	0.7
520.20764	0.7
597.26904	2.5
613.25903	0.7
623.24353	1.6
641.25916	2.8
655.27405	8.1
673.33716	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	673.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
54.56692	0.9
54.86501	0.9
55.01854	2.0
55.05489	4.0
55.84536	0.9
57.03425	2.1
58.88602	0.8
61.77366	0.8
62.16037	0.9
65.03920	1.0
67.05494	7.7
69.03412	3.2
69.07045	3.0
71.04967	2.7
71.70151	1.1
79.05470	6.2
81.03405	8.6
81.07050	7.2
81.78297	0.9
83.04962	2.2
83.08589	2.7
85.02890	3.6
85.06513	1.8
86.09683	1.8
89.03924	1.3
91.05475	6.5
93.07025	6.0
94.06544	3.5
95.04945	4.1
95.07320	1.5
95.08586	3.9
96.08127	5.2
97.02872	2.6
97.06515	4.9
105.07014	4.8
107.04923	1.1
107.08575	3.7
108.08094	3.5
109.02850	1.7
109.06505	1.8
109.10145	3.1
110.09653	7.1
111.08067	1.4
116.04938	1.3
117.07017	1.9
119.08543	4.9
120.04465	1.1
120.08105	6.0
121.06453	2.5
121.10114	2.6
122.05994	5.4
123.04407	1.0
123.08039	1.4
123.11664	1.4
124.07555	2.4
127.03870	1.4
129.06985	1.1
131.08528	2.2
133.06471	1.0
133.10136	2.8
134.05977	1.0
135.11653	2.4
136.07561	7.1
137.05925	1.6
138.09123	9.9
143.08504	1.2
144.04439	4.8
145.10063	2.5
146.06012	1.0
147.04408	1.0
147.11641	2.8
148.07541	2.1
150.05432	1.9
151.07460	1.1
153.01755	1.8
155.08559	0.9
157.10069	1.3
158.05980	0.9
159.08189	1.0
159.11722	1.4
160.03845	1.3
161.13220	1.1
162.05502	3.4
163.03886	5.1
163.11203	1.4
164.04309	1.4
165.09138	1.9
166.08601	10.4
170.09608	2.9
172.03905	16.8
172.07567	1.2
172.11147	1.4
175.08653	1.1
175.11119	1.6
184.07379	6.2
186.09105	1.3
187.12314	5.2
190.04953	3.7
193.12195	1.7
197.08296	1.6
198.09120	20.5
200.09312	1.7
204.06548	22.5
209.08061	1.1
211.13234	2.6
212.10696	5.1
215.11792	15.3
225.10222	1.8
226.08598	6.6
226.10544	1.0
227.11803	1.6
228.08826	1.7
233.11636	1.3
235.08618	1.7
237.10211	7.6
239.11818	1.8
240.10269	2.0
241.09767	1.5
241.13231	1.6
242.10521	2.0
243.11259	96.2
244.11584	2.0
249.10280	6.5
251.11649	3.3
253.09604	1.3
255.11284	7.0
257.04391	3.4
257.12891	6.5
258.05200	2.2
264.08878	3.7
265.09625	3.3
267.11261	3.2
267.15930	2.2
269.09293	1.6
277.09656	5.9
278.10431	2.1
279.11124	5.7
281.09024	1.2
283.15283	2.6
285.12296	100.0
286.04782	5.7
286.12576	2.3
287.05466	3.9
293.09219	18.5
293.12637	2.6
295.10559	1.2
305.09048	3.0
307.10660	5.5
309.08691	1.3
313.11765	1.7
315.13409	5.1
316.14297	1.1
317.14929	89.6
318.15082	2.1
323.10144	3.3
325.11975	5.6
329.17181	2.1
330.17639	2.7
331.07990	1.6
333.08630	3.0
337.11505	1.6
339.13419	3.7
343.12756	1.3
351.09778	9.2
353.11276	1.4
354.12277	1.2
355.13318	1.4
357.14285	2.0
358.15140	1.6
371.12234	1.5
383.12592	2.0
397.13947	2.2
428.15857	1.7
441.03650	1.0
446.16946	5.8
448.18668	1.2
456.15417	3.7
459.07654	0.9
476.17880	4.1
478.19528	4.8
479.17062	7.6
488.18027	4.3
493.28000	2.6
494.28201	1.1
497.18225	11.9
519.19421	1.4
536.19928	2.8
550.21808	23.6
551.22552	45.2
552.22742	2.8
597.26654	3.9
609.23199	1.9
623.24854	1.6
641.25702	11.6
673.21185	1.6
673.32733	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00037	2.0
53.03930	9.4
53.16288	1.9
55.01863	5.5
55.05502	24.5
57.03439	17.5
61.02906	6.0
63.63587	2.0
65.03927	2.6
67.05499	37.0
68.71210	2.2
69.03415	18.6
69.07057	15.2
70.06580	2.9
71.04987	13.8
71.70846	2.2
71.71257	2.5
73.02891	5.2
79.05481	37.3
81.03407	100.0
81.07048	46.8
82.03711	2.2
83.04969	30.2
83.08606	26.5
84.05289	2.0
85.02897	33.2
85.06517	2.7
86.03204	3.5
86.09675	13.6
91.05470	40.0
93.07030	36.0
94.07349	3.3
95.04955	33.8
95.08598	17.4
97.02895	21.8
97.06512	26.1
97.10152	5.2
98.06833	4.2
99.04446	4.7
99.08057	2.6
101.78806	2.2
102.06680	2.3
103.03938	2.9
104.10712	7.6
105.07019	28.6
107.04940	10.9
107.08571	16.1
107.86295	1.9
109.02847	11.1
109.06458	7.6
109.10122	9.4
111.04432	11.7
111.08070	11.3
113.05937	5.4
115.05443	3.0
117.07000	7.7
119.04903	2.7
119.08570	27.0
120.08070	2.9
120.08904	2.0
121.06482	8.5
121.10116	21.9
123.08062	3.4
123.11682	4.6
124.99995	7.8
125.09637	6.6
127.03888	11.7
129.05486	4.8
129.06981	13.6
131.04913	2.4
131.08562	17.2
132.08879	2.8
133.06461	6.0
133.10107	13.4
135.07994	2.9
135.11691	4.6
137.05952	8.4
137.09557	2.4
138.06302	3.0
142.07791	2.2
143.08510	3.0
145.10120	9.0
146.10431	3.2
147.04358	3.2
147.08067	3.5
147.11658	20.0
148.11923	2.0
149.05951	2.7
149.09586	11.7
149.13246	3.0
157.10083	19.0
159.11659	5.1
163.03860	2.6
163.11115	3.7
165.09077	2.1
165.12738	6.8
173.04416	5.6
173.13269	2.5
175.11179	16.4
181.12216	2.5
184.07306	40.8
189.09035	2.3
191.10614	2.9
193.12215	47.7
195.13844	3.9
211.13258	56.0
233.11667	8.8
234.12018	6.3
267.15872	32.4
268.16055	2.1
269.17352	4.3
275.20126	5.0
276.20523	3.2
283.15369	3.0
285.16919	43.7
286.17126	2.7
301.07196	5.3
330.17941	2.6
341.16852	2.1
350.23737	4.9
355.17361	3.6
385.23642	4.3
396.21368	3.0
411.20126	3.3
414.22037	3.0
429.21219	17.8
459.27411	23.3
476.34607	2.4
477.28458	41.2
495.29480	35.8
512.33990	3.4
621.32465	9.4
639.33630	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	674.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.1
55.01863	2.2
55.05505	21.5
56.44299	1.9
57.03431	12.4
61.02897	4.8
65.03912	3.9
67.05135	3.5
67.05495	45.3
69.03417	4.8
69.07053	12.0
69.49918	10.2
69.50342	7.0
71.04970	5.8
73.02881	1.6
79.05480	48.2
81.03411	64.1
81.07044	50.4
82.07380	2.3
83.04967	27.8
83.08611	19.3
85.02891	19.1
85.06549	3.6
86.09727	2.7
91.03939	2.1
91.05466	69.3
93.07033	35.0
95.04957	30.4
95.08596	21.5
97.02866	7.5
97.06503	8.6
97.10146	2.4
99.04451	2.1
99.08083	4.6
105.07018	41.4
106.07384	2.3
107.04945	24.5
107.08566	8.2
109.06483	9.1
109.10150	5.0
111.04391	2.8
111.08070	7.8
113.05994	2.0
117.07008	5.5
119.08569	31.2
120.08096	2.0
121.06474	4.4
121.10108	11.7
123.08045	3.7
123.11697	2.7
124.07603	2.5
125.09546	2.0
128.06226	2.0
129.06976	15.7
131.08549	16.8
133.06473	3.9
133.10112	31.7
135.11697	2.4
136.07468	1.6
142.07747	4.3
145.10117	9.8
147.08015	6.4
147.11681	20.4
149.09581	8.9
151.11174	2.4
157.10095	21.6
159.06657	1.9
159.11739	2.4
163.11137	4.7
163.60437	1.8
165.12668	2.6
175.11154	20.6
184.07321	5.8
193.12213	40.6
204.06554	2.3
211.13264	42.5
239.96106	1.8
243.11327	8.3
244.11557	3.6
249.14832	2.9
267.15875	100.0
275.19897	3.2
276.20294	3.2
285.12387	3.7
285.16968	22.0
286.12607	3.3
317.14938	6.3
318.15363	6.1
350.24069	2.5
367.22546	2.4
441.26483	2.1
459.27393	87.4
477.28418	76.2
477.35300	3.6
560.82660	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.8
55.01822	0.6
55.05438	3.1
55.28152	0.4
57.03364	1.4
57.07004	1.2
61.02848	1.6
61.68739	0.4
61.91114	0.4
67.05422	5.7
69.03344	2.5
69.07048	2.8
71.04925	0.9
71.08569	0.6
79.05404	4.4
81.03409	6.1
81.07047	5.5
83.04877	1.4
83.08528	1.4
85.02884	2.1
85.06480	0.5
91.03888	0.6
91.05471	4.8
93.07031	5.3
95.04877	1.6
95.08591	4.0
97.02879	3.4
97.06493	0.8
97.10075	0.8
98.20747	1.0
99.04369	0.8
105.07001	4.1
106.16237	0.4
107.08569	2.7
109.02793	0.8
109.06457	1.0
109.10121	2.4
111.08029	0.6
114.79799	0.4
117.07015	2.3
117.07645	0.5
119.08559	2.5
121.10065	1.3
125.09582	0.6
127.03825	1.2
128.06140	0.7
129.05417	0.6
129.06973	2.0
131.04871	0.5
131.08554	3.3
133.10085	3.2
135.11636	1.1
140.24429	0.4
141.06940	0.8
142.07715	0.5
143.08517	2.9
145.10124	3.3
147.11571	1.3
149.13184	0.9
151.11082	1.1
155.08392	1.0
157.10124	2.6
159.11584	1.8
161.13217	0.4
167.08372	0.5
169.10005	1.5
171.11679	2.5
173.04446	2.6
173.13153	1.1
181.10019	1.2
183.11557	1.6
185.13179	0.6
189.12601	0.5
195.11528	0.7
197.13150	1.0
199.14676	0.9
209.13156	0.6
211.14777	0.8
212.47122	0.5
221.13206	0.5
253.14146	0.5
255.15793	0.5
261.22308	0.4
273.18564	0.5
275.20038	0.6
313.27332	0.9
314.27652	1.2
370.10620	2.1
381.73123	0.6
383.11356	0.7
384.12158	5.0
385.12939	16.7
386.13651	7.5
387.14496	1.3
396.12231	0.8
397.12955	1.4
398.13699	8.7
399.14511	26.2
400.15289	72.2
401.15720	5.5
402.17285	0.7
410.13873	0.9
411.14597	2.2
412.15341	9.2
413.16074	20.4
414.16843	26.1
415.17661	4.4
416.14590	1.8
416.19885	0.6
418.17270	1.9
421.31030	0.7
423.14615	1.0
424.15451	1.2
425.16147	1.5
426.17264	3.2
427.18140	11.4
428.18622	16.2
429.19208	54.5
430.12595	0.6
430.19412	2.9
437.15884	0.9
439.13086	0.9
439.18347	1.0
439.32016	0.7
440.14603	1.3
441.14487	3.7
442.16187	6.5
443.12842	5.4
444.14236	13.3
445.18893	0.6
446.16873	0.9
447.20471	2.3
453.15762	0.6
454.16605	0.9
455.17157	18.2
456.17819	7.9
457.14948	3.8
457.19260	2.2
458.15591	6.2
459.16568	5.9
465.11749	0.8
466.12643	0.9
467.13370	1.3
469.13889	0.7
469.18777	2.0
471.17404	1.0
472.17636	6.6
473.18201	22.4
474.18445	1.7
479.13315	0.7
480.14200	0.7
481.14908	2.4
482.15558	1.9
483.16531	13.0
484.20972	1.8
485.18057	0.6
486.14990	0.7
487.16013	5.1
491.19278	1.2
495.16788	2.0
496.17224	1.5
497.18344	1.0
499.16406	2.6
500.17212	1.4
501.17456	10.5
502.18323	3.6
509.14761	0.7
510.14969	0.8
511.20200	3.1
512.20569	1.1
513.35803	9.8
514.20587	1.4
515.23187	0.9
515.36694	0.6
516.23633	10.1
523.15930	2.6
524.16626	1.0
525.17908	0.9
527.15155	6.5
529.20825	0.7
531.36560	1.0
537.17896	0.9
538.18323	0.5
539.19165	12.7
540.19507	6.4
541.20062	1.3
542.20667	1.2
543.15955	0.3
543.22333	14.6
544.23169	35.5
545.23120	1.3
555.18658	3.4
557.20605	0.6
559.21661	0.7
560.22693	13.4
561.22455	0.8
569.20496	0.9
570.20874	2.2
571.21808	51.7
572.22186	12.3
573.19977	4.0
575.25232	3.3
585.23383	0.8
586.21277	0.5
587.21466	6.6
588.22095	100.0
589.22467	4.4
598.20313	0.9
601.23187	3.4
603.24530	4.3
615.20813	7.0
616.21124	4.2
619.24023	4.2
629.22400	19.0
630.22583	0.6
631.23944	7.3
639.38531	0.6
647.23322	6.4
657.21887	17.6
657.39801	0.9
658.22302	0.8
675.22955	14.9
675.41583	4.4
676.22577	0.6
699.81158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
54.04338	0.6
55.01860	1.0
55.05501	2.1
57.07064	0.9
61.02906	2.3
67.05494	4.7
68.46865	0.6
69.03419	1.4
69.07063	1.2
70.03963	3.0
71.05001	0.7
71.08624	0.9
79.05485	3.7
81.03425	4.6
81.07039	4.2
83.04975	1.8
85.02888	2.0
91.05472	4.2
93.07026	4.9
95.04963	0.9
95.08578	4.3
96.86916	0.7
97.02886	1.7
97.10155	1.1
99.04473	0.8
101.06664	0.6
105.07008	2.7
105.65560	0.7
107.08582	2.0
109.10130	1.4
117.07020	1.9
119.08585	2.4
121.10145	1.0
129.06989	1.1
131.08577	2.8
133.10130	2.2
134.48267	0.6
135.11665	0.8
143.08559	1.2
145.10115	2.0
155.08569	1.2
157.10159	1.5
159.11758	1.5
169.10095	2.1
171.11632	1.6
173.04478	2.4
181.10153	0.7
185.13261	0.9
192.94173	0.7
197.13300	0.8
211.14868	0.7
227.20126	1.1
280.31580	0.7
314.27673	0.9
370.10812	3.1
371.11627	0.9
384.12244	5.2
385.12885	17.2
386.13724	6.0
387.14420	1.4
397.13116	2.8
398.13644	7.2
399.14539	28.5
400.15308	66.0
401.15656	5.8
409.12897	0.8
410.14136	0.8
411.14743	2.3
412.15350	9.5
413.10602	1.0
413.16068	20.0
414.16824	25.1
415.17459	4.3
416.15021	1.9
418.17426	2.6
423.14847	1.0
424.15341	1.0
425.16418	1.6
426.17661	3.8
427.18030	14.6
428.18494	17.2
429.12589	2.3
429.19196	49.9
430.19891	1.5
439.18201	0.9
440.14188	0.8
440.18939	1.1
441.15643	3.3
441.20401	0.9
442.16245	6.0
443.13068	3.6
444.14227	14.4
445.19470	0.9
446.17245	1.0
447.20102	2.3
453.15897	1.0
454.16168	0.9
455.17072	20.5
456.17926	8.3
457.15100	4.6
457.19766	1.4
458.15524	4.5
459.16534	5.0
467.12967	1.2
469.19659	1.6
470.15665	1.0
471.17096	1.0
472.17447	7.1
473.18207	21.7
474.18750	1.1
480.14462	1.1
481.14850	1.4
483.16611	13.8
484.21451	1.0
485.18152	1.2
487.15869	4.7
495.16772	1.1
496.17462	1.3
497.18265	1.0
499.16364	4.3
500.16666	1.3
501.17322	9.9
502.18503	3.0
509.14084	0.8
511.19537	2.2
512.20404	1.3
513.17932	1.0
513.35773	8.7
515.23077	1.5
516.23657	10.8
523.16174	2.3
527.15387	7.2
529.20972	1.1
539.19226	12.1
540.19189	4.7
541.20599	1.2
543.22339	12.4
544.23157	34.2
545.22833	1.5
555.18597	4.1
559.21576	1.3
560.22595	14.9
570.20624	1.4
571.21838	57.2
572.22223	11.5
573.20184	3.7
575.24744	2.8
585.22968	0.9
587.21399	6.7
588.22095	100.0
589.22504	5.0
598.20221	1.0
601.22986	4.2
603.24707	4.5
615.20874	9.2
616.21271	4.7
619.23743	3.6
629.22284	15.9
630.22925	1.0
631.23834	7.1
639.39056	0.9
647.23187	5.8
657.21924	18.0
658.21777	1.1
675.22882	12.6
675.41162	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97038	0.7
55.05491	1.3
57.07074	0.7
61.10380	0.6
65.14965	0.7
67.05486	2.2
68.09578	0.6
69.07062	1.2
70.40768	2.8
79.05453	1.0
81.03410	3.1
81.07024	2.4
83.08608	2.1
86.09698	1.4
90.37626	0.6
91.05488	1.4
92.63985	0.7
93.07026	1.2
95.04947	0.8
95.08574	1.7
98.98463	3.0
105.06980	1.1
109.10155	1.1
125.00002	2.1
131.08615	0.8
145.10115	0.9
157.61626	0.7
168.19290	0.9
184.07338	6.5
193.12291	1.2
196.87979	0.7
267.15875	2.0
311.25787	1.0
398.13712	1.6
399.14261	4.5
400.16101	1.2
411.14807	1.3
412.15295	3.8
413.16028	15.1
414.17010	17.1
415.18109	2.1
425.15924	0.8
426.16708	5.6
427.17569	17.6
428.18390	26.9
429.18750	2.3
430.16547	2.2
431.16766	0.8
432.19235	2.1
441.19638	12.2
442.19952	24.1
443.20685	8.7
445.18616	1.0
455.15948	1.2
455.20932	2.9
456.21579	1.1
457.14932	1.0
458.15619	1.6
459.20959	1.1
468.18774	1.0
469.18674	36.0
470.18964	12.8
471.17056	1.4
472.17236	4.8
473.18207	6.6
474.18533	2.9
484.13702	1.4
486.19107	1.3
487.19617	1.3
495.16351	0.9
496.17227	1.2
498.22226	1.0
499.19540	1.1
500.20419	1.1
501.21420	3.8
503.37326	5.8
509.18103	2.4
510.18616	1.9
513.17664	19.7
513.25061	1.3
513.35394	0.9
514.17914	9.3
523.19421	1.4
525.21289	7.6
541.20520	1.8
557.23889	100.0
558.24286	7.4
573.23743	1.6
588.25720	34.3
589.25323	3.6
600.22253	1.3
601.22656	2.0
615.24377	16.3
616.24701	37.7
617.24402	3.6
631.27557	2.5
643.23926	45.0
644.24255	3.3
647.26282	1.1
675.26733	5.8
675.43665	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97038	0.7
55.05491	1.3
57.07074	0.7
61.10380	0.6
65.14965	0.7
67.05486	2.2
68.09578	0.6
69.07062	1.2
70.40768	2.8
79.05453	1.0
81.03410	3.1
81.07024	2.4
83.08608	2.1
86.09698	1.4
90.37626	0.6
91.05488	1.4
92.63985	0.7
93.07026	1.2
95.04947	0.8
95.08574	1.7
98.98463	3.0
105.06980	1.1
109.10155	1.1
125.00002	2.1
131.08615	0.8
145.10115	0.9
157.61626	0.7
168.19290	0.9
184.07338	6.5
193.12291	1.2
196.87979	0.7
267.15875	2.0
311.25787	1.0
398.13712	1.6
399.14261	4.5
400.16101	1.2
411.14807	1.3
412.15295	3.8
413.16028	15.1
414.17010	17.1
415.18109	2.1
425.15924	0.8
426.16708	5.6
427.17569	17.6
428.18390	26.9
429.18750	2.3
430.16547	2.2
431.16766	0.8
432.19235	2.1
441.19638	12.2
442.19952	24.1
443.20685	8.7
445.18616	1.0
455.15948	1.2
455.20932	2.9
456.21579	1.1
457.14932	1.0
458.15619	1.6
459.20959	1.1
468.18774	1.0
469.18674	36.0
470.18964	12.8
471.17056	1.4
472.17236	4.8
473.18207	6.6
474.18533	2.9
484.13702	1.4
486.19107	1.3
487.19617	1.3
495.16351	0.9
496.17227	1.2
498.22226	1.0
499.19540	1.1
500.20419	1.1
501.21420	3.8
503.37326	5.8
509.18103	2.4
510.18616	1.9
513.17664	19.7
513.25061	1.3
513.35394	0.9
514.17914	9.3
523.19421	1.4
525.21289	7.6
541.20520	1.8
557.23889	100.0
558.24286	7.4
573.23743	1.6
588.25720	34.3
589.25323	3.6
600.22253	1.3
601.22656	2.0
615.24377	16.3
616.24701	37.7
617.24402	3.6
631.27557	2.5
643.23926	45.0
644.24255	3.3
647.26282	1.1
675.26733	5.8
675.43665	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24229	0.3
67.05495	0.3
70.83868	0.7
70.84227	0.6
81.07004	0.3
88.82705	0.3
93.07010	0.4
107.46099	0.3
145.27850	0.3
153.23045	0.3
179.91444	0.4
277.21573	0.4
296.57004	0.3
333.83780	0.3
453.15689	1.0
454.16766	0.7
455.13123	0.6
458.15680	0.4
467.12900	0.6
468.13547	2.5
469.14795	7.5
470.15555	2.1
471.16418	0.5
479.16702	0.4
481.14639	2.2
482.15796	11.6
483.16492	10.3
484.17117	2.4
485.18640	0.5
495.16824	1.7
496.17618	5.9
497.18182	42.5
498.18674	6.2
499.19409	1.1
500.16898	0.7
510.19388	1.9
511.19644	6.0
512.20380	1.9
512.43750	0.4
513.79950	0.4
515.19305	2.6
523.15918	0.4
524.17560	0.3
528.16058	2.4
529.16931	0.4
538.20557	1.1
539.21533	0.4
541.17029	1.3
542.17993	2.5
555.18610	1.7
556.19440	3.0
557.20215	3.7
569.20239	0.7
571.21759	0.7
573.21191	0.4
583.22028	0.5
616.21747	0.9
629.22546	0.9
630.22931	0.5
643.23975	7.6
644.24701	8.1
645.24957	2.1
657.25488	7.5
660.24176	0.5
675.26508	100.0
676.26855	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	675.357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77397	1.6
53.03924	3.0
54.66809	1.9
55.01869	2.9
55.05507	10.2
57.03427	6.3
57.07056	3.1
60.08148	2.0
61.02914	22.9
64.36636	2.1
65.03925	2.9
67.05495	27.3
69.03430	6.3
69.07055	10.2
71.04995	5.0
71.55136	1.9
71.70947	3.0
73.02902	7.8
79.05480	37.2
81.03397	8.9
81.07045	30.9
83.04955	4.1
83.08609	6.5
85.02889	22.9
85.06536	2.5
86.09689	16.9
91.03949	16.0
91.05461	34.7
91.33981	1.9
93.07027	43.4
93.07588	3.6
95.04955	6.6
95.08589	21.9
97.02878	15.5
97.06503	5.7
98.98449	2.2
99.04465	2.4
103.05469	2.8
105.07010	32.3
105.07703	2.6
107.08582	27.4
109.02827	2.7
109.06496	6.1
109.10139	9.1
111.08069	2.2
115.03963	2.2
117.06996	11.3
119.08550	31.4
121.06524	4.2
121.10133	24.5
123.11704	3.3
124.07581	7.2
124.99956	11.9
127.03873	6.4
129.05527	3.2
129.06992	7.5
131.08568	17.5
133.10100	23.5
135.08026	2.1
135.11659	19.9
137.09593	2.9
141.06990	1.8
143.08572	9.5
145.04964	5.1
145.10123	15.8
147.11649	23.9
149.09596	4.3
149.13245	12.3
151.11179	2.4
155.08549	2.4
157.10115	8.4
159.08069	3.1
159.11655	16.2
161.09651	3.1
161.13225	18.4
163.03891	2.3
163.05969	5.2
163.11209	3.2
163.14810	5.3
167.07164	2.0
169.10106	4.0
171.11667	8.8
173.13248	7.7
175.14786	9.5
177.12785	2.3
184.07324	51.5
185.07634	8.4
185.13243	10.6
189.12624	2.4
195.11636	2.2
199.14798	4.2
203.14268	3.2
213.16382	2.4
217.19432	4.4
231.21022	4.0
239.50629	2.2
241.19455	20.4
259.20517	44.6
275.19983	2.2
277.21570	6.0
301.21484	3.0
333.24234	6.5
349.23865	4.5
351.25256	100.0
355.60843	2.2
363.25235	3.6
371.58286	1.9
375.25101	4.4
387.25409	2.9
403.24536	3.0
417.26086	5.0
441.26273	8.5
459.27399	8.7
461.79523	2.3
477.28314	8.1
494.83197	2.0
495.29370	12.0
523.23303	2.1
525.17554	5.7
571.18164	2.1
587.76746	2.3
643.20502	3.1
675.22516	7.0
675.37469	7.9
693.23370	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	675.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98282	0.4
51.38101	0.4
52.73243	0.4
53.03903	1.4
53.61934	0.4
55.01823	1.4
55.05503	3.5
57.03421	2.1
57.07029	1.2
61.02920	2.5
65.03890	1.0
66.80341	0.4
67.05496	9.1
69.03419	3.7
69.07053	4.2
71.04931	1.8
71.08575	0.6
71.70613	0.6
77.11752	0.4
79.05483	7.1
81.03410	8.7
81.07050	7.2
83.04976	2.9
83.08556	1.7
85.02888	3.3
85.06518	1.0
87.04404	1.0
91.03879	1.4
91.05473	7.2
93.07034	8.2
95.04888	1.7
95.08598	5.4
97.02885	4.6
97.06454	1.5
97.10092	1.6
99.04387	1.7
105.07018	5.7
107.04895	1.2
107.08583	4.7
109.02804	1.5
109.06442	1.4
109.10157	2.8
111.08037	0.5
116.74557	0.5
117.06996	3.2
119.08562	5.4
121.06474	0.9
121.10144	2.4
123.08029	1.0
123.11624	0.8
125.09562	0.7
127.03836	1.9
128.06136	1.0
129.05403	0.9
129.07021	3.5
131.08559	5.0
133.06462	0.7
133.10114	4.9
135.08000	0.6
135.11678	3.0
136.37572	0.4
137.09525	0.7
141.06947	1.2
142.07639	0.9
143.08569	3.1
145.06468	0.4
145.10088	4.8
147.11607	1.8
149.09526	0.5
149.13171	0.9
151.11082	1.0
153.06909	0.6
154.07729	0.4
155.08542	2.2
157.10080	2.7
159.08017	0.5
159.11668	2.9
161.13159	1.2
163.11166	0.6
165.06926	0.6
166.07698	0.6
168.09178	0.5
169.10118	2.4
171.11682	3.1
173.04446	3.8
173.09506	0.6
173.13187	2.0
175.14795	0.6
179.08427	0.5
181.10036	1.4
183.11607	2.0
185.09535	0.5
185.13268	2.1
189.12755	0.5
190.81978	0.5
193.10025	0.6
195.11659	1.6
197.13232	2.2
199.11200	0.5
199.14688	1.0
207.11613	0.6
209.13243	1.0
211.14755	1.2
221.13139	1.1
223.14766	0.8
225.16342	0.8
227.17993	0.6
227.20007	1.8
235.14687	0.6
237.16287	0.7
239.14050	0.4
253.14304	1.0
255.15871	0.6
259.20612	0.9
261.22116	0.7
265.19522	0.5
271.15527	0.5
271.20477	0.7
297.22079	0.7
301.21478	0.5
313.21548	0.9
314.27655	0.7
327.23175	0.5
347.17227	0.5
370.10620	2.0
371.11386	1.4
372.12082	0.6
373.12616	0.6
383.11603	0.6
384.12021	4.9
385.12915	17.0
385.23544	0.5
386.13522	9.2
387.14169	1.6
397.13159	2.2
397.18045	0.7
398.13715	7.9
399.14487	28.0
400.15274	69.2
401.15588	14.9
402.16629	0.7
403.29669	0.5
411.14709	2.9
411.32047	0.5
412.10370	0.7
412.15295	8.9
413.16046	21.8
414.16800	25.8
415.17398	7.5
416.14441	1.1
417.15140	0.8
418.17230	1.8
419.17612	0.9
421.30942	1.7
423.14362	1.2
424.15482	1.5
425.16556	2.0
426.17511	3.1
427.18140	12.2
428.18591	18.3
429.12839	1.6
429.19202	52.0
430.12802	1.3
430.19498	10.6
437.15997	0.8
438.16980	1.2
439.17859	0.9
439.32297	1.3
440.18591	0.7
441.15356	2.7
441.19418	1.9
442.15988	6.5
443.12674	5.9
444.14175	13.9
445.13849	2.8
446.16452	0.7
447.20529	2.0
453.15744	0.7
454.16452	1.2
455.17114	17.8
456.17627	10.8
457.14850	3.3
457.18811	3.5
458.15509	7.4
459.16565	7.3
460.16864	1.1
466.12387	0.8
467.12860	1.0
468.13315	0.8
469.13840	0.7
469.18729	1.8
470.19772	0.9
471.16837	1.3
472.17786	5.6
473.18234	19.5
474.18481	5.2
480.14386	0.6
481.14865	2.0
482.15738	1.6
483.16510	12.7
484.15918	3.0
485.18521	0.8
486.15143	0.6
486.19421	0.6
487.15814	3.8
488.16357	1.2
491.19409	1.1
495.16684	1.7
495.34586	1.0
496.17133	1.5
497.17944	1.8
499.16443	2.9
500.16852	2.0
501.17435	8.2
501.34903	0.7
502.18155	5.3
503.37173	0.9
509.14081	1.3
510.14694	0.5
511.20486	3.0
511.34286	0.8
512.20258	1.5
513.13831	0.8
513.35718	19.3
514.19891	0.7
515.22064	0.6
516.16699	0.8
516.23743	9.2
517.24060	2.3
523.16058	2.3
524.16479	0.8
525.17578	0.6
527.15192	5.8
528.16083	1.5
529.15833	0.6
531.37048	1.0
537.18036	1.2
538.18414	0.9
539.19153	10.9
540.19464	8.7
541.19672	2.5
542.20624	0.9
543.22321	13.0
544.23102	33.5
545.23407	8.7
555.18695	3.8
555.36383	0.8
556.18927	0.9
559.21710	1.4
560.13696	0.7
560.22595	13.3
561.23248	3.2
569.20300	0.9
570.20264	1.7
571.21820	51.1
572.22131	24.6
573.20758	5.1
575.24841	3.0
576.24982	1.1
580.21661	0.6
585.23230	1.4
587.21338	6.4
588.22089	100.0
589.22351	25.6
598.20343	1.2
599.21173	0.5
601.22968	2.5
602.23486	0.8
603.24445	4.8
604.24542	2.0
615.20758	7.4
616.21136	7.6
617.20551	1.4
619.23846	3.8
620.23859	0.7
621.37402	0.7
629.22308	17.1
630.22211	3.9
631.24139	6.8
632.23907	2.2
639.39050	0.6
647.23193	6.1
648.23474	1.3
657.21893	15.8
657.40015	1.9
658.22321	5.0
675.23218	11.9
675.41510	8.0
676.23230	4.2
676.41736	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16878	0.2
55.05503	0.3
56.05021	0.6
57.03436	0.2
58.06362	0.2
58.06618	0.5
59.07389	0.2
60.07844	0.3
60.08154	6.3
64.16125	0.1
64.93369	0.1
67.05499	0.5
69.03421	0.3
69.07072	0.3
70.06571	0.3
70.90556	0.2
70.90903	0.3
71.04977	0.4
71.07362	3.8
76.71574	0.2
79.05473	0.7
80.05008	0.2
81.03387	0.5
81.07040	1.0
83.04956	0.4
85.02889	0.6
85.06523	0.3
86.09692	33.7
91.05456	0.7
93.07023	0.7
94.06551	0.3
95.04942	0.4
95.08594	0.6
97.02878	0.3
97.74687	0.2
98.21306	0.2
98.98453	3.4
104.10723	2.7
105.07009	0.5
107.08559	0.5
109.10181	0.2
111.04395	0.1
111.08047	0.3
119.08574	0.2
121.10104	0.2
122.09656	0.5
123.08038	0.7
124.99983	22.8
127.03913	0.2
128.10675	0.2
133.10110	0.3
140.10678	1.1
141.09033	0.3
143.01065	0.5
145.10136	0.2
163.03870	0.3
184.07315	100.0
185.07642	0.6
217.69824	0.2
238.02823	0.2
253.72672	0.2
285.90686	0.2
301.70105	0.2
410.32660	0.4
428.28931	0.1
428.33777	1.2
559.55536	0.2
600.26819	0.2
676.34332	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	676.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65388	1.7
53.03937	3.2
55.01860	2.5
55.05508	14.0
57.03432	11.9
59.05009	1.3
61.02910	3.3
62.81667	1.2
65.03911	1.5
67.05498	43.2
69.03410	3.4
69.07057	14.4
71.04980	5.8
73.02895	1.9
76.14809	1.2
76.15284	1.3
79.05483	30.3
81.03408	38.2
81.07045	54.8
83.04972	13.2
83.08612	22.1
85.02899	16.8
85.06526	3.8
86.09693	2.1
89.12258	1.4
91.03960	2.4
91.05464	26.0
93.07037	40.5
95.04961	17.5
95.08614	15.9
97.02887	4.1
97.06510	8.8
97.10147	4.6
99.08095	1.9
101.56454	1.4
105.07017	18.1
107.04913	4.5
107.08585	24.1
107.78978	1.3
109.06512	5.4
109.10153	4.4
111.04419	1.7
111.08054	9.6
113.06006	1.9
117.06992	6.3
119.08556	12.1
121.06577	1.8
121.10142	15.1
123.08044	1.5
125.09639	1.8
129.06987	7.9
131.08571	10.6
133.06476	1.8
133.10121	14.5
135.08023	2.2
135.11693	6.7
142.07747	2.4
145.10123	2.7
146.10403	1.6
147.07968	3.2
147.11678	9.7
149.09612	5.5
149.13249	15.1
157.10078	11.0
159.11638	8.3
163.11116	2.2
165.12764	2.1
175.11160	12.0
177.12758	3.6
177.87567	1.4
184.07343	5.3
193.12227	24.8
195.13788	9.6
211.13283	31.4
251.16290	1.8
267.15894	19.0
269.17444	65.8
285.16922	26.8
327.54245	1.5
329.43192	1.3
435.26959	1.5
443.27783	2.8
461.28949	33.1
479.30051	100.0
480.30194	4.7
664.32147	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.3
55.05504	2.7
60.08152	5.5
61.41357	1.9
67.05486	6.4
69.03399	3.9
69.07048	4.3
70.06594	1.9
71.04971	4.6
71.07355	2.8
79.05475	10.5
80.05003	4.6
81.03408	4.3
81.05769	3.9
81.07032	7.5
82.06558	5.4
83.04965	2.4
85.02883	4.7
85.06514	2.2
86.09695	26.3
91.05477	15.7
93.07030	27.4
94.06563	24.0
95.04955	8.5
95.07341	21.3
95.08577	8.5
95.48726	2.0
96.08119	48.5
97.02878	2.8
97.06554	4.6
98.98471	3.1
103.05444	5.7
105.05776	2.1
105.07005	8.0
106.06490	2.1
107.04918	2.0
107.08578	3.7
108.04459	16.7
108.08111	31.5
109.02868	2.4
109.08910	3.6
110.09667	82.7
111.04523	1.9
117.03382	2.3
118.06532	2.1
119.04976	2.1
119.08580	3.8
120.04465	17.5
120.08096	53.4
121.06484	3.9
121.10191	3.4
122.06011	8.3
122.09650	3.9
122.88498	1.9
123.06779	2.4
124.07570	4.4
124.99998	17.7
131.08549	3.8
133.10118	3.7
134.05981	4.4
134.09590	1.8
135.04396	2.9
135.11668	3.1
136.07556	13.7
137.05998	4.1
138.09126	94.8
144.04443	1.9
145.02827	7.1
146.05995	3.6
147.04366	3.8
148.07544	16.6
150.09135	5.1
151.03929	2.4
152.07104	2.2
160.07556	3.6
161.05965	3.1
162.05496	1.9
163.03906	5.9
164.06972	3.8
166.08626	77.6
166.10043	4.2
171.11696	2.2
172.03958	5.4
177.05426	12.9
184.07335	85.6
185.07626	5.2
186.07872	2.4
189.10887	1.9
190.04997	1.8
197.06996	2.8
197.10800	2.5
199.08678	4.3
204.06525	9.0
206.11688	4.1
206.13437	1.9
209.10753	3.7
211.08603	4.5
212.09444	4.5
213.10202	4.9
221.10638	3.0
222.11395	2.3
223.08650	6.9
223.12312	4.7
224.09503	2.6
224.82013	2.2
225.06653	4.7
225.10275	10.9
227.08231	2.3
227.11815	5.4
235.08627	5.9
236.09479	9.0
237.10132	15.0
238.10892	2.9
239.08101	3.4
239.11752	14.9
241.09775	5.0
241.13268	2.5
245.12685	2.3
248.09351	3.8
249.10190	21.6
250.10965	8.7
251.08032	4.2
251.11755	36.4
252.12462	7.4
253.09727	8.4
253.13310	6.6
255.11247	3.7
257.09302	2.5
261.10178	4.1
262.11020	2.6
263.11807	9.1
264.12570	4.4
265.09833	4.8
265.13275	8.9
266.10507	2.9
267.11249	5.5
269.09573	2.9
269.12799	48.8
271.10962	2.9
272.11545	2.5
273.12424	4.3
277.09662	3.3
279.11337	6.6
281.09549	1.9
281.12906	4.3
283.10785	8.0
285.12335	7.8
291.11194	3.5
295.10767	6.8
296.11600	3.3
297.12332	13.3
298.13248	2.8
299.10336	2.6
299.14020	4.8
300.11356	2.0
302.13083	3.9
302.16467	2.2
303.13870	2.9
304.14557	2.7
309.12393	5.5
311.10220	2.2
311.13910	6.3
312.15018	2.9
313.12289	2.5
314.12994	4.6
314.16486	10.8
315.13873	2.7
316.14407	8.7
318.12207	3.2
325.11804	3.7
326.12842	2.3
326.16385	4.5
327.13800	5.4
328.14563	5.3
329.15576	5.1
330.12393	6.9
330.16028	8.6
331.16772	3.2
332.13940	3.4
340.14334	3.2
342.12445	6.1
342.16177	2.6
343.13159	5.2
344.13904	13.9
344.17688	3.6
345.14761	4.5
346.15457	8.0
354.16092	4.7
356.13803	7.7
356.17676	3.9
357.14658	6.3
358.11789	4.1
358.15500	12.4
359.16211	7.0
360.13318	2.9
360.17245	4.0
361.14197	3.1
362.14874	3.6
368.14017	3.6
370.15536	5.8
371.16254	5.9
372.16989	7.1
373.14108	9.5
374.14932	7.3
374.19040	2.3
375.16196	2.5
378.14258	3.0
382.15408	4.2
384.17221	10.5
385.14423	3.8
386.15030	11.7
387.15814	11.6
388.16736	11.1
390.18414	2.7
398.14874	3.5
400.16589	19.0
401.13303	2.6
402.18399	11.9
403.15555	2.8
405.16882	3.4
406.17606	7.0
410.14883	2.2
414.14297	3.2
416.15958	42.5
418.17719	14.3
421.15585	2.5
428.16061	21.1
430.17709	10.1
434.17078	62.4
436.18576	4.7
438.14566	2.8
446.17056	100.0
447.17508	3.7
448.18671	7.6
452.18088	14.9
456.15497	3.9
462.16525	8.3
464.17960	20.9
474.16629	7.4
476.18097	2.3
480.17627	9.3
494.19113	7.4
506.19333	8.3
512.20172	30.8
524.20477	12.0
535.23230	2.4
553.24585	11.4
563.22510	3.9
571.25171	5.4
581.23981	34.8
583.25214	5.6
599.24945	96.4
600.25018	4.7
601.26782	3.1
609.23383	15.3
617.26074	27.5
627.24420	34.5
641.25848	13.4
645.25476	96.4
646.25348	6.2
659.26935	24.3
677.27771	83.3
678.36993	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	677.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
65.03952	4.2
67.05498	7.2
69.03413	6.1
69.07072	3.9
70.06580	2.6
71.04984	5.4
73.07119	2.7
79.05468	11.3
80.05000	5.1
81.03426	4.1
81.05795	3.2
81.07050	5.9
82.06563	5.0
83.04946	2.8
85.02914	12.8
85.06523	3.6
91.05450	12.0
93.07033	26.3
94.06550	24.7
95.04961	9.0
95.07349	23.5
95.08586	5.7
96.08115	43.9
97.02885	3.8
97.06519	7.9
103.05456	6.0
105.07020	5.9
106.06546	4.3
107.04933	2.7
107.08559	4.9
108.04445	8.6
108.08093	41.9
110.08954	4.3
110.09669	72.6
118.06521	3.5
119.08564	6.4
120.04432	5.7
120.08097	48.1
121.06425	6.2
121.10099	3.8
122.05996	15.0
122.06754	2.8
122.09620	3.6
123.06764	4.9
124.07575	4.3
126.99198	2.7
127.03871	5.3
132.08083	5.2
134.06015	5.3
135.04395	5.7
136.07568	23.1
137.05971	7.7
138.09120	81.4
145.02876	4.4
146.06006	7.9
147.04417	7.3
148.07567	15.3
149.02370	3.1
149.09616	3.0
152.07014	4.8
160.03911	5.8
160.07594	5.5
163.03876	8.5
164.07054	4.6
166.08618	89.4
172.03931	5.6
174.09125	3.0
177.05420	10.2
182.36122	3.1
184.07291	4.7
184.10106	2.5
185.60536	2.6
190.04947	4.4
190.08661	2.8
197.07069	6.0
199.08644	16.4
204.06526	11.4
209.10757	4.3
211.08594	9.6
212.09364	5.1
213.06631	13.7
213.10147	7.5
220.79837	2.8
221.10645	3.0
223.08565	6.3
223.12172	4.6
224.09297	4.4
225.06712	12.6
225.10197	13.6
226.10918	4.1
227.08156	6.3
227.11732	6.4
235.08682	4.7
235.12482	2.6
236.09286	4.6
237.10149	23.2
238.11032	4.8
239.08205	14.3
239.11755	9.0
241.09727	4.1
243.11401	4.7
248.09398	4.4
249.10162	31.6
250.10944	12.0
251.08162	17.9
251.11737	26.4
252.08936	2.9
252.12305	4.3
253.09669	7.6
253.13390	4.5
254.10300	3.2
255.07750	4.4
255.11290	5.1
261.10251	3.3
263.08249	6.1
263.11722	11.8
264.08871	3.7
264.12387	4.7
265.09680	12.7
265.13333	8.0
266.10413	3.7
267.07620	2.6
267.11252	13.9
269.12790	10.5
271.10666	4.3
273.12335	6.7
275.11700	3.9
277.09564	9.6
277.12878	3.8
278.10239	3.3
279.11319	13.3
281.09393	4.4
281.12805	6.7
283.10721	11.8
285.12296	8.1
286.13388	3.3
289.12491	2.7
290.09991	3.1
291.11145	5.9
293.09067	10.3
293.12607	5.8
295.10718	9.3
297.12228	9.3
299.14166	4.7
300.11304	2.9
301.12057	4.2
302.12799	5.3
305.09140	5.3
309.12381	7.7
310.12762	4.1
311.10522	3.2
311.13977	5.6
314.12799	11.5
316.14447	9.1
317.12427	3.6
318.12283	7.5
318.15857	4.2
323.10165	7.6
323.13907	3.8
325.11951	5.3
326.12817	4.6
327.13254	12.8
328.14557	8.2
329.11725	5.9
330.12396	14.8
330.15726	6.2
332.13953	8.1
337.11722	3.9
339.13965	4.8
340.14752	4.1
341.11978	3.4
342.12228	8.0
342.15979	4.6
343.13577	6.9
344.14053	14.6
344.17715	3.7
345.14539	9.5
346.11746	6.0
346.15558	4.6
354.12167	4.4
354.16058	4.8
355.13333	4.2
356.13901	10.0
357.14801	6.1
358.11594	6.5
358.15677	6.9
359.16354	5.9
360.13141	3.7
360.17139	4.9
368.13956	4.1
369.14484	7.7
370.15643	5.4
371.12372	15.6
372.13181	7.1
372.17200	6.7
373.13977	8.4
374.14783	5.5
376.16592	4.0
382.15558	5.9
383.13205	3.4
384.17163	4.7
385.14505	4.5
386.14871	8.8
387.15765	4.8
388.12222	3.9
388.16525	11.2
389.13467	13.7
396.13089	3.6
398.15109	4.1
399.15787	4.3
400.16574	13.4
401.14001	9.0
402.18433	4.3
403.15564	3.2
404.15515	4.8
406.17523	3.2
410.15106	4.0
412.16434	5.6
414.13828	4.2
416.16019	27.8
417.14352	2.9
418.17905	15.5
419.15439	3.1
420.15546	5.2
428.15961	10.0
430.17667	13.1
434.17169	30.0
436.18848	3.5
438.14600	3.6
444.15521	49.6
446.17093	41.0
448.18707	5.0
452.17950	6.3
456.15530	23.7
462.16553	93.5
463.16422	3.6
474.16632	75.3
476.17877	7.2
478.19403	3.4
480.17648	59.9
490.19681	3.1
492.17599	25.8
494.19135	35.7
506.19144	63.2
511.79733	3.2
512.20258	100.0
513.20819	3.5
524.20215	88.7
525.20886	3.7
581.23737	9.6
599.25153	23.3
609.23346	29.4
613.26514	7.3
627.24500	88.3
631.27533	5.6
641.25879	45.2
645.25446	34.9
659.17334	4.2
659.27039	48.1
660.26837	4.7
677.27631	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.8
55.51215	2.7
56.97142	2.7
65.03935	3.2
67.05486	6.0
69.03410	7.1
69.07059	5.2
71.04964	5.0
79.05464	11.6
80.05000	7.0
81.03397	8.6
81.07036	11.5
85.02879	9.9
91.05462	12.8
93.05751	3.2
93.07019	26.4
94.06568	22.0
95.04940	8.5
95.07333	19.8
95.08586	5.2
96.08108	38.6
97.06524	6.7
98.21465	8.3
103.05442	3.4
105.06970	3.5
106.06520	4.6
107.08545	3.9
108.04462	9.1
108.08118	38.4
109.02871	3.8
109.06500	3.1
109.08917	3.7
110.09667	65.7
117.03413	4.1
120.04448	4.9
120.08088	46.2
121.10117	7.9
121.94464	2.6
122.06003	13.5
123.11665	6.4
124.07569	5.9
126.05512	3.4
133.10182	3.2
134.06049	4.0
136.07555	17.5
137.05949	4.8
138.05508	3.2
138.09123	73.8
139.09494	2.9
144.04541	3.2
145.02806	6.2
146.05980	4.0
147.04391	7.6
148.07529	12.4
152.07063	7.1
158.05942	3.1
160.03944	4.7
163.03827	6.9
165.11069	3.1
166.08614	77.6
172.03885	6.8
176.06923	2.7
176.53265	2.9
177.05437	10.2
178.08670	3.1
184.07352	6.0
190.05019	3.7
194.05614	3.2
197.07076	4.5
199.08600	13.2
204.06505	8.1
211.08597	10.1
212.09396	4.6
213.06590	20.5
213.10155	9.3
223.08597	5.1
223.12148	3.0
224.09319	4.8
225.06613	20.4
225.10175	14.0
227.08105	9.5
235.08612	8.1
236.09525	5.8
237.10220	12.5
238.11006	3.1
239.08038	15.5
239.11765	9.0
241.09651	6.0
243.11229	5.1
248.09485	6.0
249.10257	21.5
250.10927	11.4
251.08037	14.2
251.11783	23.8
252.08778	5.7
253.09677	10.0
255.11490	2.9
261.10187	4.6
263.08173	6.4
263.11743	12.0
264.08850	4.0
265.09702	15.0
265.13046	6.9
267.11252	12.2
269.12756	9.2
271.10629	6.4
273.12302	6.8
275.11865	3.3
277.09756	8.6
278.10190	3.2
279.11301	9.1
279.32297	3.7
281.09195	4.7
283.10785	11.2
285.12366	6.5
291.11307	4.2
293.09317	4.3
295.10666	4.6
296.11621	3.5
297.12186	8.5
298.12836	3.7
299.13812	5.4
301.12491	3.2
302.12817	4.4
305.09152	5.6
309.12244	15.0
311.10510	3.6
312.11176	4.3
313.12982	3.5
314.12811	6.3
316.14346	6.1
318.12430	5.2
318.16101	3.7
323.10211	5.9
325.11551	5.3
326.12863	5.1
327.13403	11.3
328.10687	4.3
328.14398	3.4
329.11435	4.3
330.12503	12.7
330.16107	4.3
331.17532	3.3
332.13956	6.4
333.14758	3.6
335.10107	4.4
337.11581	3.5
342.12256	7.6
342.16052	4.3
343.13333	5.1
344.13852	12.4
345.14578	5.7
346.11765	6.1
346.15601	4.7
354.12241	3.0
355.12790	3.2
356.13721	9.7
357.14557	5.7
358.11630	4.1
358.15482	10.7
359.16043	4.5
360.13196	4.3
360.17197	4.2
361.13919	3.5
368.13934	4.4
369.14594	6.9
370.11523	5.2
370.15790	3.8
371.12186	13.7
372.13144	4.8
372.17200	5.9
373.14084	9.3
374.14740	6.7
382.15604	4.0
383.13211	3.7
384.17444	5.7
386.14813	7.9
387.15689	7.9
388.12451	5.1
388.16656	11.6
389.13644	12.0
398.14911	5.4
400.16394	18.8
402.18237	5.2
406.17361	5.6
410.14774	6.5
412.16425	6.7
414.14456	5.7
415.14990	5.5
416.15878	26.5
417.16037	3.7
418.17575	20.4
420.15601	5.5
428.15964	11.6
430.17383	11.0
434.16956	29.1
436.18466	6.1
438.14362	4.4
444.15524	43.6
446.17102	32.8
448.18741	3.5
452.18228	5.0
456.15536	16.2
462.16565	78.8
464.18289	3.0
474.16516	69.6
476.18265	3.6
480.17477	56.3
488.18140	6.2
490.19846	4.7
492.17661	21.7
493.17950	3.5
494.19156	35.4
506.19226	57.7
507.18881	3.5
512.20239	100.0
524.20227	98.0
525.20599	5.7
545.34576	3.2
549.47601	3.0
553.24768	4.3
581.23505	9.0
584.97839	3.2
599.25043	19.9
609.23438	28.9
613.26202	6.2
627.24432	94.4
628.25104	5.8
631.27649	4.4
641.25891	42.6
645.25519	46.3
659.26953	48.4
677.27991	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	677.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.8
55.01860	3.6
55.05510	2.6
67.05488	7.7
69.03416	4.2
69.07063	4.1
70.67080	7.5
71.04976	2.7
77.79514	2.3
79.05481	14.2
80.05013	4.2
81.03410	7.4
81.05798	2.7
81.07048	9.3
82.06569	6.5
83.04977	3.8
83.08641	3.1
85.02894	7.2
86.09722	2.8
91.05470	15.7
93.05770	2.4
93.07033	28.6
94.06557	29.9
95.04976	6.8
95.07336	23.3
95.08599	9.8
96.08121	47.0
97.02882	3.6
97.06528	6.6
103.05452	4.3
105.07024	7.3
106.06528	4.3
107.04964	4.2
107.08588	8.3
108.04475	12.6
108.08100	34.9
109.02879	3.5
109.06532	3.1
109.08955	2.5
109.10145	3.2
110.06039	3.8
110.09665	84.9
117.07114	2.7
118.06503	2.3
119.08565	8.5
120.04449	18.2
120.08083	59.4
121.02894	2.0
121.06486	4.4
121.10100	4.0
122.06020	8.4
124.07603	6.1
126.05541	2.5
127.03915	4.1
131.04932	2.7
131.08578	5.0
133.06544	3.0
133.10121	5.2
136.07567	17.5
137.05986	3.4
137.09518	3.0
138.09122	100.0
143.08582	3.0
144.08080	2.6
145.02844	4.2
145.10094	4.8
147.04404	8.1
147.11676	5.1
148.07547	16.5
149.06071	2.4
152.07033	2.5
157.10165	4.5
159.11699	3.9
160.07578	4.5
163.03926	5.4
163.07538	3.2
164.07036	5.3
165.09232	2.3
166.08621	84.9
167.10735	2.8
169.10088	2.2
172.03941	4.0
175.08749	2.8
175.11205	2.3
177.05498	9.2
184.07355	13.9
185.13223	2.5
187.08751	2.7
190.04869	2.9
199.07108	2.7
199.08801	4.2
203.14345	3.4
204.06587	6.4
209.10857	3.0
211.08727	6.1
213.06456	2.5
213.10263	4.6
221.10756	2.8
223.08685	7.2
223.12273	4.7
224.09450	3.0
225.06619	8.1
225.10107	10.3
226.10991	3.5
227.08180	4.2
227.11708	3.5
235.08653	4.9
236.09364	10.8
237.10182	14.1
238.11060	5.1
239.08134	4.5
239.11813	11.6
241.09773	3.0
243.11505	2.5
245.13138	2.4
247.08739	2.0
247.12724	2.5
248.09607	2.4
249.10219	22.1
250.11044	9.9
251.08142	3.8
251.11790	38.0
252.12621	7.1
253.09764	10.2
253.13365	4.6
263.08075	4.1
263.11890	13.2
265.09836	9.7
265.13327	6.6
267.11322	8.7
269.12842	45.9
273.12500	3.5
273.15973	2.2
277.09683	3.6
278.10547	3.9
279.11386	6.6
281.09296	3.1
281.12793	4.7
283.10815	6.9
284.11575	3.0
285.12387	4.9
291.11230	3.7
295.10709	5.4
296.11282	2.9
297.12311	13.3
299.14172	6.2
300.14981	3.5
301.12640	4.6
303.13608	2.6
309.12408	5.8
310.12991	2.6
311.10318	3.7
311.13959	4.5
312.14832	4.1
314.13211	5.0
314.16583	12.6
315.14117	4.3
316.14584	5.8
317.11612	2.5
323.10397	3.3
325.11786	5.5
326.12796	3.2
326.16772	2.7
327.13684	6.2
328.14572	5.0
329.11581	5.4
330.12418	7.2
330.16028	6.0
333.14758	3.2
340.14377	4.5
342.12256	5.8
342.16046	4.6
343.13202	6.5
343.17056	2.8
344.14053	14.4
345.14996	4.2
346.15582	7.2
354.16309	3.3
356.13846	7.1
356.17752	4.4
357.14767	8.2
358.15579	11.3
359.16165	6.7
360.17203	3.9
368.14102	3.9
369.14740	3.0
370.15579	2.9
371.12366	4.3
371.16492	4.4
372.13168	4.0
372.17236	9.0
373.14194	5.3
374.14859	5.2
382.15530	6.0
383.13699	2.4
384.17114	7.5
386.14822	12.8
387.15909	9.1
388.16553	10.4
390.18616	3.7
396.13632	2.5
398.14923	4.8
400.16586	17.5
402.13797	3.3
402.18289	7.6
403.15384	4.5
406.17627	5.5
410.15030	3.8
415.14819	3.2
416.15973	45.2
417.16437	3.5
418.17392	14.1
420.15213	3.5
428.16031	14.4
430.17657	6.8
434.17035	57.1
435.17773	3.0
436.18414	3.3
444.15451	4.7
446.17026	95.0
447.17050	2.7
448.18634	6.1
451.28629	3.8
452.18027	13.7
456.15530	8.4
462.16422	16.7
464.18243	17.2
469.29550	6.6
474.16913	8.6
476.18393	4.1
480.17575	19.1
488.18677	3.6
494.19135	18.6
506.19135	24.8
512.20221	47.1
515.30017	21.8
524.20319	29.2
553.24652	6.3
571.25122	5.1
581.23822	23.0
583.25269	5.6
599.24884	84.4
600.25226	4.4
609.23346	12.3
617.26031	25.8
627.24579	33.6
641.26044	17.1
645.25458	82.3
659.26758	27.6
677.27985	93.4
678.28302	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	677.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.3
55.05509	0.3
57.65087	0.3
59.81746	0.3
67.05499	0.7
69.07060	0.5
69.54871	1.9
79.05498	0.6
81.03403	0.4
81.07029	0.7
83.08601	0.3
91.05440	0.4
93.07026	0.5
95.08592	0.7
98.21430	0.4
105.07027	0.5
107.08596	0.5
109.10165	0.3
119.08517	0.4
135.08070	0.3
145.10115	0.4
170.22443	0.3
183.22536	0.3
185.04289	0.7
203.05220	0.4
219.14024	0.2
259.07822	0.6
347.09528	1.0
384.11160	0.3
410.91232	0.3
515.31799	22.1
516.32483	1.3
518.11578	0.3
677.37079	100.0
678.37311	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	677.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01859	2.0
55.05497	15.4
57.03440	7.0
57.07058	4.0
61.02921	19.5
65.03902	2.6
67.05495	86.4
69.03415	6.0
69.07053	14.7
69.19122	1.5
71.04969	3.4
73.02899	8.3
75.04476	2.2
79.05024	3.1
79.05482	49.6
81.03402	2.8
81.07045	100.0
83.04948	2.2
83.08612	9.1
85.02891	19.1
85.06535	2.9
85.20251	1.4
89.06030	1.9
91.03954	17.8
91.05465	29.3
93.07032	63.0
94.72115	1.5
95.04963	4.7
95.08591	73.6
97.02882	11.4
97.06523	5.6
97.10172	4.6
99.08092	3.8
100.42204	1.4
101.91483	1.4
105.07018	20.5
107.08579	40.6
109.06520	3.1
109.10140	44.1
111.08105	2.0
111.11758	2.1
117.07001	9.2
119.08571	17.5
121.10126	37.3
122.00056	1.4
123.11684	18.1
125.09645	2.9
127.03912	6.0
129.07042	2.3
131.08539	24.6
133.10121	17.1
135.11671	26.0
136.11948	2.0
137.09570	2.8
137.13216	8.5
141.12744	1.8
145.04915	8.2
145.10103	18.9
147.11662	11.2
149.09688	1.4
149.13242	23.7
151.11113	2.8
153.12819	1.8
159.11694	16.5
161.13255	12.9
163.05995	11.9
163.11157	1.5
163.14813	15.1
165.12759	3.3
173.13243	17.1
175.14775	4.5
177.12743	2.0
177.16364	6.3
179.14227	2.1
187.14815	12.0
201.16400	3.7
229.91771	2.1
233.22658	3.4
243.21072	34.0
261.22116	93.7
262.22522	3.4
279.23193	6.1
335.25778	33.8
353.26834	35.0
497.30981	6.5
646.84796	1.5
677.31561	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	678.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.1
55.05488	0.2
56.05032	0.5
56.57660	0.1
57.03386	0.1
58.06611	0.5
59.07393	0.1
60.08155	6.0
65.03903	0.1
67.05476	0.4
69.03405	0.1
69.07068	0.1
70.06577	0.3
71.04977	0.1
71.07360	3.1
71.71192	0.1
79.05479	0.4
80.97402	0.1
81.03400	0.3
81.07047	0.4
83.04934	0.2
84.04476	0.1
85.02873	0.3
86.09692	31.9
87.10035	0.2
89.54075	0.1
91.05474	0.5
93.07014	0.3
95.04951	0.2
95.08588	0.2
96.08104	0.2
97.02896	0.1
97.06504	0.1
98.98449	2.8
104.10731	2.7
105.07008	0.4
107.04931	0.1
107.08611	0.2
108.08062	0.2
109.02845	0.1
109.06460	0.1
109.10182	0.1
110.09665	0.3
111.04435	0.1
111.08061	0.1
113.05961	0.1
115.54598	0.1
117.03376	0.1
117.07014	0.1
119.04885	0.1
119.08549	0.3
120.08086	0.2
121.10146	0.2
123.08088	0.1
124.99983	20.9
126.00325	0.1
127.03867	0.1
129.06963	0.2
131.04936	0.2
131.08554	0.2
133.10139	0.2
135.04402	0.2
135.11646	0.1
137.05914	0.2
138.09125	0.4
143.01015	0.3
145.02917	0.1
147.04361	0.5
147.11664	0.1
149.02341	0.1
151.03873	0.4
157.10135	0.1
159.11707	0.1
163.03827	0.1
163.07550	0.2
166.02538	0.1
166.08600	0.2
167.08931	0.1
173.13275	0.1
175.11163	0.2
177.05467	0.3
184.07314	100.0
185.07663	1.0
196.46075	0.1
211.13326	0.2
239.35898	0.1
252.12144	0.1
285.17053	0.1
352.32111	0.1
371.11246	0.3
435.17294	0.1
446.16901	0.2
447.17560	0.3
450.22604	0.2
452.57309	0.1
453.18329	0.1
457.16122	0.1
468.23621	0.2
481.28159	0.1
600.25317	0.2
628.24457	0.2
646.25690	0.4
660.34949	0.2
678.36279	6.7
679.36768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01862	6.2
55.05505	10.5
55.38925	1.5
57.07061	1.8
58.99580	19.4
67.05495	15.5
69.03419	5.1
69.07055	9.2
71.04985	3.5
71.31791	3.2
71.32125	1.8
74.00666	2.5
74.78908	2.1
76.02215	28.4
76.03998	3.0
79.05476	13.0
80.76311	1.9
81.03423	3.6
81.07047	22.7
83.04952	2.7
83.08597	4.2
84.04482	4.6
85.02900	6.8
85.04010	17.0
85.06501	2.8
86.09694	7.3
86.99046	6.9
88.02200	4.8
91.05464	20.8
92.01697	5.8
93.07052	24.1
95.04971	6.0
95.08589	34.8
97.02882	3.0
97.06504	4.8
97.10154	2.7
99.08085	2.5
103.05420	1.7
105.07014	34.3
107.08581	33.1
108.08118	1.7
109.06544	4.1
109.10143	16.1
111.08077	2.7
112.02241	2.1
112.03938	5.2
113.03481	4.0
116.01671	31.4
117.06999	5.3
119.08564	64.0
120.08096	2.0
120.08886	2.9
121.06500	3.6
121.10144	22.3
122.09637	3.7
123.08068	2.5
123.11707	3.4
125.00011	5.2
125.04179	2.0
125.06004	1.8
127.03911	1.8
128.06180	3.0
129.06956	4.2
130.04987	19.9
131.04469	14.5
131.08545	29.4
133.10110	30.6
134.09633	1.8
135.04439	4.1
135.08063	4.6
135.11667	9.8
137.04218	1.8
137.05997	4.2
137.09584	5.0
139.05841	2.0
142.07767	2.8
143.08537	15.1
144.01128	15.4
144.09317	2.3
145.06114	2.6
145.10115	48.9
147.04411	5.5
147.08101	2.7
147.11665	13.3
149.13261	5.7
151.03899	5.5
151.05737	4.4
151.07599	2.1
153.09087	2.8
155.08540	3.1
156.09259	4.0
157.10118	20.5
158.10869	3.4
159.11678	29.3
161.09605	4.9
161.13234	16.2
162.02184	55.2
163.03900	5.8
163.05649	1.9
163.07581	4.2
163.14807	7.1
165.07187	2.2
167.10629	1.8
169.10118	5.4
170.10854	5.0
171.11676	15.0
172.12468	2.5
173.13237	41.7
175.14801	21.2
177.03284	40.4
177.07275	3.6
177.16403	5.6
179.04826	36.6
180.03323	2.4
183.11713	8.4
184.07332	20.0
185.07739	3.3
185.13249	24.9
187.14780	38.1
189.03270	5.3
189.09105	2.8
189.12682	3.0
189.16357	8.4
191.06967	1.9
191.14333	5.0
191.17969	2.7
192.07878	1.8
195.11647	3.2
197.13255	7.3
199.14774	22.0
201.12772	2.8
201.16364	28.0
203.08768	3.4
203.10576	2.0
203.14339	9.8
203.17947	10.7
205.10469	3.8
209.13367	3.8
211.13103	2.1
211.14888	5.6
213.16315	9.5
214.52559	2.0
215.04999	2.1
215.14279	3.5
215.17982	4.1
217.12306	5.1
217.15710	2.3
219.13841	3.0
221.15430	2.8
223.14883	2.3
225.16415	2.3
227.17949	3.1
236.26155	2.0
237.16400	3.3
239.17982	2.1
247.16899	4.3
252.97693	1.8
253.19366	3.3
273.18542	2.1
279.94174	1.9
319.24210	1.8
371.11288	4.0
373.28604	3.7
375.30365	4.2
391.29648	8.9
407.27023	2.1
409.18057	2.2
419.29373	15.2
421.30911	3.2
437.30301	12.5
464.31525	2.4
465.29813	5.1
515.28363	2.3
522.30042	2.0
536.31934	1.8
550.29871	7.3
553.34326	5.9
568.30499	3.0
597.33344	20.3
598.32825	4.6
599.35077	12.7
615.34473	23.1
617.36127	12.9
625.32764	5.5
633.35297	2.9
643.33997	35.5
644.32465	12.7
647.24030	2.0
661.35101	100.0
662.35138	8.7
679.37091	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	679.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.2
55.01858	8.5
55.05507	37.5
56.05816	2.2
57.03426	12.4
57.07064	3.3
61.02909	3.8
65.03928	3.7
67.05494	66.2
69.03417	7.7
69.07056	23.5
69.53181	11.6
69.53621	10.6
71.04971	9.5
77.03910	2.5
79.05479	60.2
81.03406	16.4
81.03857	2.3
81.07040	64.6
83.04969	10.5
83.08607	15.5
85.02892	8.5
85.06520	4.1
91.05469	73.7
93.07034	67.3
94.07365	2.8
95.04961	17.5
95.08588	52.3
95.52426	2.6
97.02892	6.8
97.06515	7.4
97.10164	8.2
99.08076	4.5
100.11269	2.5
103.05472	7.4
105.07016	66.9
106.07359	2.5
107.04942	6.6
107.08584	37.8
108.31727	2.5
109.06506	9.3
109.10134	20.5
111.04462	3.0
111.08080	5.3
115.05447	8.8
117.07011	32.6
119.04961	5.3
119.08569	52.3
121.06484	11.1
121.10127	26.1
123.04451	8.0
123.08021	5.9
123.11705	4.6
125.09605	6.2
127.03894	3.4
128.06216	8.5
129.07004	22.2
131.04956	6.8
131.08546	41.6
133.06497	4.5
133.10088	30.8
135.08049	5.4
135.11670	16.4
137.05965	14.0
137.09608	4.0
141.06973	15.6
142.07748	5.6
143.08553	22.9
145.06467	10.2
145.10100	28.2
147.04396	9.5
147.08043	5.2
147.11678	27.8
149.05997	12.0
149.09552	3.9
149.13260	11.0
151.07509	3.8
151.11082	2.5
152.06186	3.0
153.06978	10.3
154.07755	3.0
155.08533	19.9
157.06448	9.9
157.10100	14.9
159.08078	9.1
159.11690	24.3
161.05923	8.8
161.09601	3.6
161.13222	18.7
163.03857	6.8
163.07515	9.7
163.11115	4.9
163.14832	4.4
165.05484	12.8
165.06966	6.8
166.07668	4.0
167.07077	2.7
167.08559	11.5
169.06482	8.7
169.10132	10.9
171.08032	21.6
171.11671	16.7
173.05995	19.9
173.13289	9.9
175.07524	14.7
175.11127	5.1
175.14790	11.5
177.09114	3.2
179.08583	6.3
179.14265	3.2
181.06487	24.4
181.10143	11.3
183.08026	35.9
183.11699	10.9
185.06036	4.9
185.09648	6.5
185.13239	11.3
187.07526	21.8
187.11143	3.3
187.14821	9.7
189.05426	3.6
189.09100	7.8
189.12723	4.9
191.07019	24.0
191.08536	5.4
193.10162	5.3
193.12201	5.6
195.08043	16.6
195.11691	6.5
197.05965	9.2
197.09581	9.2
197.13274	5.3
199.07526	66.6
199.14876	6.7
201.09056	12.9
203.06943	6.1
205.10211	2.8
207.08023	13.5
207.11781	4.2
209.09610	20.5
211.07559	7.5
211.11273	6.1
211.13173	5.7
213.05510	3.3
213.09016	12.7
215.06955	18.7
215.08727	3.0
215.10646	2.8
215.17932	3.4
219.11758	3.9
221.09590	12.3
221.13223	4.2
223.07477	6.0
223.11197	8.7
223.14827	3.6
224.08270	3.6
225.09114	11.3
226.09772	3.2
227.10597	3.1
233.09686	6.0
233.13376	2.9
233.15353	11.2
235.11191	6.3
237.09094	10.1
239.10625	7.2
241.08505	3.8
241.12598	3.1
241.19386	11.8
243.21013	3.8
245.09645	3.7
246.10336	5.2
247.11140	4.5
247.14876	4.8
249.09140	2.5
249.12737	4.1
251.10719	5.8
253.12314	2.8
257.19012	8.3
258.10196	2.9
259.11090	3.5
259.20572	22.9
261.22086	3.4
263.10648	3.4
265.12534	3.5
265.15823	10.8
271.20499	3.4
273.12610	4.0
275.10953	2.6
275.14331	9.2
275.20157	3.5
277.21698	5.1
283.13907	3.0
283.16910	8.9
289.14310	12.2
291.13651	3.7
293.15323	15.6
297.15137	3.8
299.16415	3.3
307.19131	7.9
309.14758	6.9
311.16431	24.7
313.18106	4.3
315.23029	3.6
323.16522	3.1
325.14172	5.2
327.15958	11.8
329.17386	16.9
333.24207	22.6
335.25726	7.5
337.17841	4.9
349.17880	4.1
351.25299	7.6
363.18591	4.2
367.19107	4.5
381.19083	10.8
385.20050	10.3
399.18137	3.2
401.19836	4.9
403.21204	11.3
429.21350	3.5
499.30026	4.3
551.34973	5.9
569.36182	18.7
587.37537	15.5
605.37610	4.6
625.38831	7.0
643.39868	21.7
661.31610	3.2
661.41150	53.8
662.41339	4.7
679.32281	27.4
679.41724	100.0
680.32251	4.1
680.42322	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	681.3838
Annotation	Tenuifolin
Peak:m/z	Relative Intensity
53.03936	1.0
55.01860	1.0
55.05506	2.2
57.03418	1.5
57.07043	0.5
59.04980	0.6
61.02910	1.6
65.03912	0.5
67.05499	3.6
69.03424	4.0
69.07063	2.7
70.06571	0.5
71.04983	2.3
71.71104	0.8
73.02912	0.6
73.85213	0.4
77.03947	0.5
79.05493	3.9
81.03404	2.4
81.07043	9.4
83.04977	3.0
83.08609	1.6
83.65038	0.4
85.02891	8.0
85.06538	1.7
91.05458	5.3
93.07033	9.3
94.04205	0.4
95.04958	2.7
95.08591	9.1
97.02858	3.1
97.06511	3.3
97.10175	0.6
99.04456	1.0
99.08062	2.1
100.11192	0.5
103.05470	0.7
105.07011	12.5
107.04910	1.2
107.07909	0.8
107.08585	10.9
109.02860	1.4
109.06516	2.4
109.10145	3.9
111.04428	0.5
111.08065	1.6
113.05972	2.2
115.05466	0.7
117.07001	2.4
119.04897	0.8
119.08559	23.8
121.06474	2.7
121.10127	9.0
122.03650	0.4
123.08041	3.2
123.11709	2.5
125.09658	1.0
127.03900	1.7
128.06192	0.8
129.07008	1.5
129.95639	0.4
130.07762	0.5
131.04871	0.7
131.08549	10.3
133.06479	1.7
133.10112	9.1
135.08051	2.9
135.11644	3.9
137.05959	8.2
137.09576	2.1
139.07539	1.1
141.06848	0.5
142.07750	1.0
143.05009	0.5
143.08557	4.7
144.09381	0.5
145.02866	0.5
145.04933	1.7
145.06427	1.2
145.10109	12.7
147.04408	1.6
147.08044	2.1
147.11679	6.6
149.05930	0.5
149.09592	4.4
149.13240	1.9
151.03893	1.5
151.07542	0.8
151.11159	0.8
153.09073	0.7
155.08551	1.5
156.09314	1.6
157.10120	7.4
158.10999	0.6
159.08055	1.8
159.11685	7.9
161.05977	0.5
161.09599	7.7
161.13203	5.9
163.03911	1.4
163.07506	2.5
163.11160	2.7
163.14851	1.3
165.05525	0.5
167.06996	0.7
167.08398	0.5
167.10667	1.0
169.10072	2.0
169.12221	1.1
170.10895	1.4
171.07973	0.9
171.11670	6.0
173.09644	2.7
173.13245	10.3
175.07541	0.9
175.11157	1.9
175.14784	5.7
177.05432	1.1
177.09116	0.7
177.12764	1.1
177.16370	3.0
181.10072	1.0
182.10962	0.5
183.11673	2.4
185.09625	0.8
185.13235	6.0
187.07613	0.5
187.11238	2.0
187.13292	0.8
187.14803	14.2
189.09119	0.6
189.12724	4.0
189.16324	3.8
191.14241	2.6
193.10104	0.7
193.15953	0.8
195.11681	1.9
197.13246	2.6
199.11168	0.7
199.14827	1.4
201.05447	2.1
201.12709	2.1
201.16388	0.8
203.14282	6.7
205.08806	0.4
205.15875	6.3
207.11815	0.6
207.13737	1.0
207.17397	0.6
209.13239	1.5
211.11185	0.6
211.14825	2.0
213.12706	3.6
213.16362	0.9
215.14291	6.9
217.15857	0.7
219.13611	0.9
221.13281	1.0
221.15373	2.6
223.14891	0.8
223.16922	1.0
225.16269	0.7
227.14302	0.8
229.15919	1.5
231.13759	3.5
231.17433	0.5
233.15329	7.4
249.14714	3.4
255.17445	0.7
261.14688	1.0
267.15942	1.5
269.18921	0.7
277.08636	0.5
283.20679	0.7
293.08142	0.4
327.12320	0.6
331.17575	1.6
355.11749	1.3
357.13333	3.2
365.24719	1.0
375.03601	0.5
389.28543	0.5
390.04333	0.5
401.27811	1.6
407.29514	0.9
419.29370	2.6
435.29236	0.7
437.30511	4.2
447.28754	1.3
453.29996	0.9
455.31479	8.0
456.31998	0.5
465.29852	5.3
473.32642	8.6
483.30997	11.8
501.32104	8.3
519.33124	100.0
520.33344	3.6
681.25830	0.5
681.51349	0.6
682.25543	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90498	1.5
53.03930	4.7
53.97723	1.6
54.50172	1.7
55.01862	5.9
55.05507	30.2
57.03435	9.0
57.07048	3.2
59.04988	2.1
65.03922	3.9
67.05497	56.4
69.03415	4.2
69.07056	14.7
71.04975	4.9
71.08619	1.7
79.05479	36.8
81.03406	4.1
81.07047	53.8
83.04959	2.8
83.08619	10.6
85.02872	2.1
85.06535	1.9
91.05468	26.6
93.07037	36.4
95.04954	11.5
95.08596	42.0
95.96047	1.6
97.06519	3.9
97.10161	6.6
99.08080	1.7
105.07018	19.7
105.29558	1.6
107.04964	1.7
107.08585	22.1
109.06526	3.7
109.10150	18.3
111.08084	2.9
113.09639	1.6
115.05393	3.7
117.07025	8.4
119.08572	15.0
121.06468	2.2
121.10110	17.9
123.08063	5.9
123.11710	4.7
125.09592	4.5
128.06201	5.3
129.06992	11.9
130.94989	1.6
131.08557	13.5
133.10112	8.5
135.07959	2.0
135.11682	11.9
137.05995	4.5
141.06947	14.0
143.08574	9.6
145.06442	5.4
145.09125	1.6
145.10095	10.3
147.11702	9.5
149.05934	2.0
149.13277	4.1
152.06134	2.3
153.06947	11.5
154.07742	3.6
155.08539	21.9
157.06453	9.6
157.10115	4.7
159.08044	4.9
159.11676	6.4
161.05965	3.4
161.09657	1.8
161.13242	7.2
163.07423	2.5
163.14882	2.6
165.05719	2.1
165.06961	8.7
165.12688	1.8
166.07788	2.0
167.08521	14.7
169.06502	8.1
169.10100	6.1
171.08040	27.4
171.11668	2.9
173.05959	13.0
173.11839	1.9
173.13226	3.9
175.07494	3.6
175.14793	3.4
177.09100	3.5
177.12807	1.7
178.07835	3.9
179.08542	7.3
181.06476	45.8
181.10017	9.7
182.07237	2.4
183.08040	40.7
183.09610	3.2
183.11684	4.4
185.06013	4.8
185.09605	5.2
185.13200	2.1
186.06795	4.4
187.07524	14.9
187.14784	2.3
189.09140	3.2
189.11145	2.0
191.06990	6.3
191.08601	5.4
193.10121	4.0
194.07262	4.3
195.08032	18.7
195.11716	5.0
197.05940	3.5
197.09560	10.4
199.07520	100.0
201.09088	17.1
203.08609	2.2
205.10106	5.1
207.08055	14.5
208.08794	3.8
208.12427	1.8
209.09592	20.1
209.13164	2.6
211.07532	4.1
211.11125	6.9
211.12997	2.1
213.09111	17.6
215.06952	2.0
215.10608	2.0
219.08109	5.9
220.08827	2.4
221.09560	8.2
221.13075	1.9
223.07484	2.6
223.11169	9.7
225.09106	6.8
227.10762	7.6
229.08548	2.8
229.14424	2.1
229.33923	1.7
233.09637	7.5
233.13243	2.8
235.11137	4.3
237.09113	3.4
237.12695	2.7
237.16394	3.7
238.89288	1.7
239.10684	2.1
245.09456	2.9
247.11183	3.0
247.14792	5.0
249.12715	5.6
251.10565	1.7
251.14378	4.3
259.11139	2.9
261.22165	8.5
263.14334	2.4
265.12860	2.3
265.15866	15.0
267.13916	1.9
269.15277	2.5
273.18613	2.4
275.14337	15.4
275.20129	3.3
277.15942	2.3
283.16968	8.9
293.15366	21.5
295.16885	4.1
309.14893	3.7
311.16391	39.7
319.16849	2.2
321.18463	2.4
323.16617	2.7
329.17392	28.1
335.25757	37.8
337.17892	6.9
349.17966	8.2
353.26877	1.8
367.18933	7.7
385.20004	12.4
387.22858	2.0
403.21094	17.3
501.32111	3.1
525.37677	2.4
535.35437	3.5
553.36932	8.9
571.37726	9.3
589.38544	2.3
609.38843	2.2
627.40222	2.6
645.41351	11.9
663.42529	18.4
681.43530	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	681.435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90498	1.5
53.03930	4.7
53.97723	1.6
54.50172	1.7
55.01862	5.9
55.05507	30.2
57.03435	9.0
57.07048	3.2
59.04988	2.1
65.03922	3.9
67.05497	56.4
69.03415	4.2
69.07056	14.7
71.04975	4.9
71.08619	1.7
79.05479	36.8
81.03406	4.1
81.07047	53.8
83.04959	2.8
83.08619	10.6
85.02872	2.1
85.06535	1.9
91.05468	26.6
93.07037	36.4
95.04954	11.5
95.08596	42.0
95.96047	1.6
97.06519	3.9
97.10161	6.6
99.08080	1.7
105.07018	19.7
105.29558	1.6
107.04964	1.7
107.08585	22.1
109.06526	3.7
109.10150	18.3
111.08084	2.9
113.09639	1.6
115.05393	3.7
117.07025	8.4
119.08572	15.0
121.06468	2.2
121.10110	17.9
123.08063	5.9
123.11710	4.7
125.09592	4.5
128.06201	5.3
129.06992	11.9
130.94989	1.6
131.08557	13.5
133.10112	8.5
135.07959	2.0
135.11682	11.9
137.05995	4.5
141.06947	14.0
143.08574	9.6
145.06442	5.4
145.09125	1.6
145.10095	10.3
147.11702	9.5
149.05934	2.0
149.13277	4.1
152.06134	2.3
153.06947	11.5
154.07742	3.6
155.08539	21.9
157.06453	9.6
157.10115	4.7
159.08044	4.9
159.11676	6.4
161.05965	3.4
161.09657	1.8
161.13242	7.2
163.07423	2.5
163.14882	2.6
165.05719	2.1
165.06961	8.7
165.12688	1.8
166.07788	2.0
167.08521	14.7
169.06502	8.1
169.10100	6.1
171.08040	27.4
171.11668	2.9
173.05959	13.0
173.11839	1.9
173.13226	3.9
175.07494	3.6
175.14793	3.4
177.09100	3.5
177.12807	1.7
178.07835	3.9
179.08542	7.3
181.06476	45.8
181.10017	9.7
182.07237	2.4
183.08040	40.7
183.09610	3.2
183.11684	4.4
185.06013	4.8
185.09605	5.2
185.13200	2.1
186.06795	4.4
187.07524	14.9
187.14784	2.3
189.09140	3.2
189.11145	2.0
191.06990	6.3
191.08601	5.4
193.10121	4.0
194.07262	4.3
195.08032	18.7
195.11716	5.0
197.05940	3.5
197.09560	10.4
199.07520	100.0
201.09088	17.1
203.08609	2.2
205.10106	5.1
207.08055	14.5
208.08794	3.8
208.12427	1.8
209.09592	20.1
209.13164	2.6
211.07532	4.1
211.11125	6.9
211.12997	2.1
213.09111	17.6
215.06952	2.0
215.10608	2.0
219.08109	5.9
220.08827	2.4
221.09560	8.2
221.13075	1.9
223.07484	2.6
223.11169	9.7
225.09106	6.8
227.10762	7.6
229.08548	2.8
229.14424	2.1
229.33923	1.7
233.09637	7.5
233.13243	2.8
235.11137	4.3
237.09113	3.4
237.12695	2.7
237.16394	3.7
238.89288	1.7
239.10684	2.1
245.09456	2.9
247.11183	3.0
247.14792	5.0
249.12715	5.6
251.10565	1.7
251.14378	4.3
259.11139	2.9
261.22165	8.5
263.14334	2.4
265.12860	2.3
265.15866	15.0
267.13916	1.9
269.15277	2.5
273.18613	2.4
275.14337	15.4
275.20129	3.3
277.15942	2.3
283.16968	8.9
293.15366	21.5
295.16885	4.1
309.14893	3.7
311.16391	39.7
319.16849	2.2
321.18463	2.4
323.16617	2.7
329.17392	28.1
335.25757	37.8
337.17892	6.9
349.17966	8.2
353.26877	1.8
367.18933	7.7
385.20004	12.4
387.22858	2.0
403.21094	17.3
501.32111	3.1
525.37677	2.4
535.35437	3.5
553.36932	8.9
571.37726	9.3
589.38544	2.3
609.38843	2.2
627.40222	2.6
645.41351	11.9
663.42529	18.4
681.43530	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	681.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	2.3
53.03934	6.9
55.01855	8.4
55.05505	28.6
57.03429	12.3
57.07053	4.2
65.03924	5.3
67.05495	69.3
69.03426	3.2
69.07063	23.0
70.96302	2.0
71.04964	2.8
79.05481	45.4
81.03410	10.6
81.07043	69.7
83.04957	5.7
83.08614	15.8
91.05474	40.7
93.07031	57.5
95.01312	1.9
95.04953	12.5
95.08588	55.5
97.02842	2.8
97.06510	7.7
97.10126	9.7
98.20665	5.2
105.06330	3.1
105.07016	34.7
105.07707	2.1
107.04926	7.9
107.08020	2.1
107.08591	26.3
109.06506	4.0
109.10149	20.0
111.08046	2.7
115.05432	5.8
117.07001	13.2
119.08563	25.8
121.06494	3.0
121.10133	21.9
123.04405	6.4
123.08035	5.5
123.11694	6.0
125.09606	7.5
128.06212	7.4
129.06970	8.9
131.04823	2.8
131.08533	15.7
133.06480	2.8
133.10117	19.4
135.08041	4.3
135.11702	10.1
137.06000	10.6
137.13216	3.8
141.06982	16.8
142.07753	2.2
143.08580	13.1
145.06454	6.7
145.10075	12.9
147.08066	3.6
147.11665	10.6
149.05908	5.8
149.09592	2.5
149.13225	7.8
151.07480	2.2
153.06944	12.0
155.08521	22.6
157.06474	10.5
157.10100	6.4
159.08047	6.7
159.11679	10.6
161.05962	6.3
161.13229	8.8
163.07500	3.6
163.11159	3.0
163.14842	2.2
165.06960	8.5
167.08521	13.8
168.05856	2.1
169.06502	13.0
169.10103	6.0
171.08034	24.4
171.11658	3.5
173.06000	13.1
173.09645	3.4
173.13266	6.1
175.07510	6.5
175.14767	3.0
177.09093	3.5
179.08479	9.6
179.14256	5.0
181.06454	39.6
181.10069	16.3
183.08031	45.7
183.11606	3.4
184.48880	2.3
185.06004	5.2
185.09604	8.8
185.13205	2.7
186.06731	2.5
187.07573	14.4
187.11229	2.3
187.14833	3.5
189.08998	2.7
191.06927	5.8
191.08560	7.5
193.06462	3.5
193.10139	5.5
195.08061	20.5
195.11682	5.5
197.06079	4.4
197.09618	12.6
197.13293	3.1
199.07520	100.0
200.07956	2.5
201.09071	16.6
205.10126	3.4
207.08037	16.1
207.11696	4.1
208.08730	3.9
209.09599	18.3
209.13290	3.5
211.07486	4.7
211.11205	5.2
213.09081	14.0
217.08389	3.7
219.07976	5.9
219.11790	3.6
219.45120	2.0
221.09619	10.4
221.13177	3.2
221.15292	2.3
223.11038	10.1
223.14790	3.1
224.08321	2.8
225.09033	10.1
227.10580	3.9
233.09598	4.3
233.13184	3.5
235.11099	4.2
237.12544	3.8
237.16299	4.1
239.10683	2.9
246.79596	2.5
247.11176	4.9
247.14922	4.1
249.12755	4.5
251.10683	2.4
251.14215	3.0
255.98636	2.1
259.20532	3.0
261.22083	7.8
263.14334	4.8
265.13263	2.4
265.15887	16.9
269.15338	4.1
273.22125	3.4
275.14270	11.1
275.19946	11.0
281.15234	4.5
283.16849	6.5
293.15317	20.4
294.15775	2.5
295.16895	2.7
299.16171	2.8
309.15005	2.7
311.16348	41.4
313.17938	3.2
319.16779	2.6
321.18362	2.6
329.17447	28.2
333.18317	2.2
335.20026	2.4
335.25790	53.3
337.17831	5.4
349.17804	8.4
367.19070	10.9
385.20053	24.1
403.20981	14.0
408.57254	2.4
535.35706	2.6
553.36859	10.2
571.37433	7.7
589.38806	4.5
627.40015	5.7
645.41089	10.9
663.42804	19.2
681.43079	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	682.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.4
53.03942	0.4
53.77230	0.4
55.01858	0.7
55.05504	0.5
56.81691	0.4
56.85980	0.4
57.03426	5.8
59.25933	0.3
61.02910	0.3
69.03403	2.2
70.06556	0.4
71.01335	0.6
71.04977	36.5
71.21802	0.9
73.02897	0.9
75.04463	1.6
78.62466	0.4
79.05479	0.7
80.04970	0.4
81.03397	1.2
83.04951	1.9
85.02885	41.2
87.04452	1.0
89.03905	3.3
91.05458	0.5
92.87711	0.3
94.06546	0.6
95.04949	0.8
97.02872	7.0
99.04420	1.1
107.04928	1.4
108.08099	0.5
109.02845	0.4
110.06013	0.6
111.04423	1.6
117.03362	3.6
118.06514	0.6
122.06010	1.8
123.04397	0.4
127.03873	1.0
129.05463	9.3
135.04379	9.7
135.05348	0.8
135.06725	0.5
136.06622	0.5
136.07506	2.4
138.05408	0.5
139.06273	0.7
145.02806	8.1
146.05994	1.9
147.04362	0.6
147.06444	1.7
148.07492	0.7
150.05414	1.2
151.03867	0.8
153.07802	0.9
154.08597	6.9
163.03870	90.5
164.04172	1.0
164.07025	4.1
166.08611	10.2
167.06969	0.4
181.04858	2.5
182.08070	5.5
184.09657	16.3
194.08087	14.9
212.09132	100.0
213.09444	1.1
296.99622	0.4
307.08090	1.2
315.04727	1.1
321.11148	0.4
325.09113	20.8
331.08078	2.9
340.13806	1.4
358.14896	6.9
374.14648	2.1
471.14407	0.6
536.17554	22.9
537.17444	0.5
682.22729	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
53.58516	0.8
55.01852	2.4
55.05490	1.4
56.05812	1.2
57.03411	1.5
57.16667	1.0
58.26065	0.8
65.03936	1.8
67.05477	3.8
69.03407	5.4
69.07048	2.2
69.38335	1.7
69.38739	9.4
71.04974	2.2
79.05478	4.5
80.05000	2.2
80.71187	1.1
81.03402	9.0
81.07049	4.6
82.06568	1.8
82.24632	0.9
83.99445	0.9
85.02889	6.6
85.06535	1.5
89.03865	1.6
91.05461	7.5
93.05774	1.9
93.07027	8.9
94.06551	20.6
94.07188	1.5
94.07356	0.9
95.04942	2.8
95.07337	6.1
95.08594	3.9
96.08109	16.0
97.02879	5.9
97.06511	1.8
99.04445	1.2
103.05435	2.4
105.07002	4.7
106.06522	1.6
107.04979	2.0
107.07316	4.4
107.08598	2.8
108.04446	4.2
108.08108	26.8
109.02856	5.6
110.09666	25.0
110.10423	1.4
111.04422	1.7
116.04961	3.8
117.03351	1.3
118.06519	3.4
119.04877	1.8
119.08556	4.2
120.04445	6.7
120.07285	1.8
120.08085	21.9
121.06510	2.4
121.10136	2.6
122.05203	1.7
122.06014	17.3
122.09657	10.6
122.10455	1.7
123.72762	0.9
124.07565	5.8
127.03898	4.3
131.04918	2.5
131.08524	1.3
132.04376	1.7
132.08026	1.8
134.05992	4.5
135.04402	1.2
135.08047	1.2
136.06564	2.1
136.07555	30.2
137.05943	18.6
138.05469	4.1
138.06326	3.3
138.09114	41.2
144.04453	6.8
145.02831	4.0
145.10063	1.9
146.05989	16.6
147.04359	7.0
147.11699	1.1
148.07552	13.7
149.05992	2.0
150.09128	16.1
151.03920	4.6
151.07463	1.6
152.07045	3.3
157.10167	1.3
159.11615	1.4
160.03937	6.6
160.07556	1.9
161.05940	2.3
162.05438	11.6
163.03882	4.5
164.07005	4.8
165.05428	1.9
166.04987	4.3
166.08609	62.8
167.07011	19.8
171.65428	0.9
172.03894	23.1
173.06039	1.1
173.13196	2.3
174.05476	12.7
175.07486	4.9
175.14851	1.1
176.06900	1.5
176.08012	1.2
177.05435	10.7
178.08691	1.6
180.07799	3.8
180.10194	1.6
181.08647	1.8
184.07423	1.3
184.09964	1.4
186.05394	1.2
187.07445	1.4
190.04944	14.5
190.08545	1.2
192.06572	2.4
196.09749	3.3
197.10689	2.9
198.08867	16.8
198.10701	1.4
198.11497	1.9
199.07443	2.0
199.12268	1.3
204.06496	13.1
206.08174	1.2
206.65311	1.2
207.13690	1.1
208.09688	1.5
209.10681	3.5
210.11353	1.4
211.08614	2.8
211.12196	1.6
212.09354	6.0
213.10168	3.5
214.18083	1.5
216.06670	1.1
216.56900	1.1
222.07761	1.2
222.11417	1.6
222.15771	1.1
223.08693	2.7
223.12314	3.2
224.09396	2.8
225.10197	17.6
226.10934	3.9
227.11810	4.8
229.13399	1.3
232.09642	2.2
235.08739	2.9
236.09441	4.5
237.10214	29.8
238.10953	3.6
239.08165	4.2
239.11746	11.7
240.08688	1.8
240.12405	1.4
241.09723	5.1
244.09613	1.5
245.12733	2.4
246.11208	1.3
249.10211	4.2
250.07442	1.0
250.10909	3.0
251.08070	3.9
251.11745	13.3
252.08917	2.8
252.12482	3.2
253.09688	17.4
253.13449	1.9
254.10265	1.7
255.11221	8.1
263.08115	1.7
263.11688	2.5
264.08914	3.9
265.09671	37.7
266.10376	4.2
267.11243	11.3
268.08255	1.5
271.10760	3.8
273.12390	6.3
277.09726	1.8
279.11246	17.5
280.08490	1.4
280.11795	1.1
281.09219	4.5
281.12823	5.1
282.09793	1.7
283.10773	5.6
285.12109	3.1
289.09549	1.1
293.09140	21.8
293.12125	0.9
294.09879	2.6
295.10754	4.0
297.12259	8.2
298.11670	1.4
299.13898	2.9
307.10727	11.1
308.11218	1.0
309.12244	2.9
311.10187	2.7
313.11789	3.1
321.12323	1.1
323.10068	1.2
325.11835	11.8
325.15387	2.0
327.13342	4.1
329.14655	1.1
330.16162	1.5
335.10092	10.8
341.11230	2.0
342.11948	1.1
343.12891	2.2
353.11267	4.6
355.12585	1.6
357.14142	3.7
358.15332	1.5
367.12775	1.6
369.14243	1.1
372.17215	1.9
373.12558	1.2
374.12970	2.9
376.16650	1.5
381.14465	2.4
383.12305	1.9
385.13910	1.8
390.17935	1.5
395.12146	2.4
399.15591	1.5
400.16150	2.4
409.13568	1.3
415.15195	2.7
418.17529	1.9
423.15350	2.1
427.14859	3.5
429.16467	2.2
432.18890	1.4
439.14963	3.2
441.16620	3.5
442.17169	1.9
446.17056	2.4
449.13394	1.6
451.14804	2.6
455.14352	6.8
457.15683	2.8
460.18500	4.3
467.14484	14.7
469.16177	5.6
479.14215	4.2
485.15576	9.3
487.17218	2.0
488.18115	5.9
497.15582	10.4
499.16977	1.4
502.19632	1.4
506.19266	4.6
520.33459	1.9
529.17963	1.7
536.18738	1.5
548.20221	1.5
558.21594	1.2
568.20734	2.3
576.23560	3.0
578.24365	1.4
580.22577	2.0
586.21790	10.8
594.24164	2.8
604.22681	12.1
606.24707	2.7
609.23016	22.1
610.24091	1.1
614.21320	8.0
622.23846	23.4
632.22321	13.6
650.23340	100.0
651.23560	5.4
654.26117	1.6
664.24463	1.7
682.25824	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	682.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.01866	1.7
55.05490	2.2
57.03427	1.1
59.58720	1.0
60.79067	1.1
65.03929	2.3
65.35955	1.0
67.05480	3.8
69.03402	4.4
69.07048	2.5
70.06564	1.9
71.04967	3.5
75.68567	1.1
79.05473	6.6
80.05031	1.2
81.03387	6.5
81.07054	5.4
82.06562	1.3
83.04979	1.8
85.02879	7.1
85.06543	2.5
89.03905	2.4
91.05442	7.0
92.05814	1.1
93.05766	2.9
93.07018	9.6
94.06554	20.7
95.04934	4.2
95.07362	5.4
95.08587	4.1
96.08112	17.1
97.02872	4.5
97.06496	2.0
98.31068	1.2
99.04458	1.8
99.63477	1.0
103.05440	2.9
105.07005	5.3
106.06540	2.7
106.07234	1.1
107.04906	2.2
107.07342	5.4
107.08582	3.3
108.04447	4.4
108.08095	29.8
109.02873	4.3
109.06499	1.3
109.10142	2.6
110.09659	25.6
111.04391	1.2
116.04980	2.1
117.03407	1.5
117.06973	1.4
118.06506	4.0
119.04929	3.1
119.08547	3.5
119.96861	1.1
120.04465	6.7
120.08089	23.3
120.08881	1.2
121.02831	1.6
121.06496	2.0
121.10120	3.8
122.03605	2.7
122.06008	18.0
122.09644	13.5
122.10442	1.7
123.04401	1.6
123.08116	1.8
124.07565	8.2
125.09562	1.2
127.03886	2.8
129.06995	1.2
131.08562	1.7
132.04462	1.2
132.08092	2.6
133.06502	1.2
133.10109	1.8
134.05992	3.8
135.04433	1.1
136.07541	28.0
137.05952	19.1
138.05435	5.3
138.06306	2.8
138.09109	42.3
144.04449	6.2
145.02824	5.0
145.10091	2.4
146.05966	16.0
147.04361	8.9
148.03819	1.5
148.07558	13.2
149.09584	1.3
150.05443	3.0
150.09109	16.8
151.03853	4.0
151.07533	1.4
152.07066	3.1
159.11649	2.2
160.03940	6.1
160.07504	2.3
161.05914	2.3
162.05453	8.9
163.03864	4.6
164.07072	7.7
165.05431	2.5
166.04938	8.1
166.08612	61.9
167.07008	17.7
168.10092	1.7
172.03906	22.5
173.13231	2.0
174.05453	12.6
174.09158	1.4
175.07526	4.2
176.07036	2.6
177.05447	10.1
177.95660	1.3
178.08571	2.5
180.06476	2.5
180.07843	2.2
181.04936	2.7
181.08565	1.8
183.09096	1.4
184.07333	1.5
184.09993	1.7
185.13074	1.2
186.09149	1.7
188.07083	1.4
190.04947	14.7
190.91522	1.1
191.14368	1.8
192.06554	3.2
196.09760	1.5
197.10709	3.4
198.08881	14.7
199.07428	1.8
203.14215	1.4
204.06532	10.9
209.10681	3.9
210.11395	1.3
211.08694	3.3
211.12288	2.5
212.09282	5.7
213.10194	4.8
214.08743	1.3
216.06738	1.6
216.10016	1.2
221.15340	1.2
222.07722	1.6
222.11383	2.7
223.08728	1.9
223.12144	2.5
224.09381	3.1
225.10193	22.3
226.10960	4.4
227.11798	5.7
235.08797	2.3
235.12340	1.6
236.09274	5.8
237.10187	29.1
238.10895	4.1
239.08122	3.6
239.11786	11.9
240.08849	1.6
240.12544	1.8
241.09659	4.7
241.13467	1.3
245.12767	2.1
246.11266	1.8
249.10234	4.5
250.07153	1.8
251.08183	4.5
251.11780	13.9
252.08829	3.1
252.12517	2.6
253.09677	13.5
253.13423	2.5
255.11371	6.3
263.08066	1.3
263.11734	4.2
264.08841	3.7
265.09708	38.4
266.10321	4.2
267.11258	11.0
268.11783	2.2
269.12808	2.7
270.22232	1.3
271.10703	3.2
273.12241	7.6
277.09665	1.8
278.10446	1.6
279.08115	2.4
279.11243	22.1
280.08395	2.9
280.11707	2.4
281.09167	6.0
281.12793	4.2
283.10727	5.3
285.12231	2.6
289.09641	2.5
292.08322	2.1
293.09171	21.6
294.09805	3.6
295.10831	6.0
296.11102	1.3
297.12167	6.5
299.14053	2.2
301.11917	2.1
305.09052	1.5
307.10733	12.2
309.12283	3.0
311.10223	2.9
313.11700	4.6
319.10422	1.5
323.10019	2.0
325.11780	13.0
326.12183	1.3
327.13287	3.9
335.10165	8.0
339.10187	1.6
341.11429	2.8
343.12964	1.5
353.11160	4.0
353.15060	2.3
355.12659	1.8
357.14249	4.1
367.12772	2.8
369.14200	2.1
373.12698	2.2
374.13333	1.4
375.14111	1.4
379.12640	1.2
381.14624	3.4
385.14398	1.4
390.17868	1.5
397.13406	1.8
400.16547	1.7
415.14957	3.0
418.17566	3.6
423.15002	1.6
427.14780	2.6
429.16507	2.9
439.14993	4.1
440.15778	1.6
441.16370	3.1
451.14600	1.9
455.14014	5.4
457.15884	4.1
460.18530	4.9
467.14273	14.7
469.15952	4.1
470.16202	1.7
474.19501	1.8
474.33002	1.9
479.14374	5.7
485.15503	10.2
487.17105	1.5
488.18100	6.3
497.15558	13.2
502.19873	1.2
506.18945	3.4
520.33374	2.2
529.17841	1.5
536.18140	2.1
548.20001	2.8
558.22040	2.4
568.21234	2.6
581.23322	2.2
586.21832	11.5
594.24323	2.6
604.22839	13.6
605.22992	1.5
606.24554	1.5
609.22955	21.3
610.23077	2.3
614.21124	11.0
615.21216	1.8
622.23956	26.0
632.22290	13.0
633.21912	1.9
650.23364	100.0
651.23193	7.1
654.26422	1.7
682.25824	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	682.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18637	0.7
55.01854	1.0
55.05500	3.2
57.03428	1.6
57.07059	1.3
61.02897	1.6
67.05489	5.1
69.03419	3.4
69.07063	3.6
70.43307	2.4
71.04988	1.6
72.04453	0.7
74.58408	0.6
78.71243	0.7
79.05475	6.3
81.03396	3.7
81.06593	1.1
81.07045	11.2
83.04972	5.9
83.08601	1.9
85.02894	7.4
85.06519	2.0
91.05458	7.6
93.07030	13.8
95.04953	3.8
95.08586	13.4
97.02886	3.7
97.03412	0.8
97.06509	1.9
97.10132	1.2
99.08076	10.9
105.07013	16.2
107.08575	23.1
109.02835	2.0
109.06500	3.3
109.10133	6.8
111.04445	1.5
111.08067	2.5
117.03324	0.9
117.06966	3.3
119.08559	22.2
121.06506	1.4
121.10122	10.5
123.08063	3.7
123.11673	3.6
125.09601	1.4
127.03869	2.3
128.06207	0.9
129.06978	2.3
131.04974	1.0
131.08543	12.2
133.10103	13.4
135.04401	1.1
135.08031	3.6
135.11674	5.5
136.04651	0.8
136.07555	1.1
137.05927	1.6
137.09631	2.2
137.13228	1.1
137.48859	0.8
140.75069	0.7
141.06921	1.2
142.07736	1.6
143.08531	7.1
145.02841	1.3
145.05043	0.8
145.10089	17.1
147.04387	3.0
147.08009	1.7
147.11656	14.4
149.09627	2.0
149.13248	2.2
149.38513	0.7
150.24435	0.6
151.03893	0.8
153.12715	1.8
155.08510	3.0
156.09320	1.6
157.10100	10.2
159.08041	0.8
159.11671	15.4
161.05962	0.9
161.09579	2.8
161.13277	4.9
162.07581	1.8
163.03862	1.9
163.07465	1.5
163.11165	3.0
163.14812	1.6
164.07129	1.1
165.12781	1.7
166.08624	1.2
169.10121	8.6
170.10875	1.1
171.11678	9.9
173.09563	1.0
173.13242	14.5
175.11148	1.1
175.14850	3.9
177.05490	1.7
177.16380	1.7
179.14281	1.0
180.08669	3.6
181.04875	0.9
181.10106	2.2
182.10889	1.1
183.11668	9.0
184.07266	0.9
185.13234	9.6
187.11133	1.0
187.14809	12.4
189.12715	1.3
189.16376	2.1
191.12688	0.8
191.14165	3.2
193.10225	1.2
193.12172	0.9
195.11688	2.5
197.13255	7.7
199.11046	0.8
199.14796	11.5
201.12787	1.8
201.16344	6.5
203.14345	5.1
204.06531	1.3
205.15858	4.0
207.11580	1.1
208.12410	0.8
209.13257	3.6
211.14777	5.3
213.12827	1.1
213.16266	6.0
214.18077	0.8
215.14276	2.2
215.17914	1.1
217.15860	2.8
219.13779	1.2
219.17531	0.9
221.13199	2.1
221.15396	2.0
223.14807	3.2
223.16791	1.2
225.16396	3.5
227.17935	1.3
229.15926	2.3
231.17409	1.1
233.15227	2.0
235.14850	1.6
237.16414	2.1
239.17889	4.3
241.15739	0.8
241.19669	0.9
243.17432	1.3
249.16429	1.5
251.18028	2.9
253.19514	2.8
255.17349	1.2
257.19067	1.9
259.20474	1.4
263.17929	3.6
265.19498	1.9
267.17331	1.3
267.21021	2.1
269.18900	1.9
271.20532	2.4
275.17755	1.0
281.19009	5.7
283.20435	1.1
285.22073	1.6
291.21069	2.0
293.22629	0.8
299.20093	5.4
303.20956	0.9
311.23627	2.6
317.21210	3.1
319.24261	1.2
321.25882	1.1
331.24127	1.5
333.22128	1.8
339.26791	1.6
345.25803	1.0
349.25204	4.2
363.26880	3.2
367.26331	2.6
373.11887	1.2
385.27228	6.0
391.29919	2.8
393.31427	1.4
403.29953	10.9
405.31696	0.8
409.26895	3.6
421.25653	1.5
421.30951	21.0
437.30438	1.6
439.32050	13.9
449.30420	8.7
449.40201	0.8
457.33066	100.0
458.33347	2.5
467.31519	18.6
485.32639	4.2
503.33789	4.2
546.98755	0.8
629.36749	3.2
682.25842	0.7
682.37714	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89624	2.0
52.91085	2.1
53.03925	9.6
55.01856	10.4
55.05269	3.7
55.05503	40.4
56.86821	2.3
57.03436	12.4
57.07057	7.1
57.25143	1.9
65.03932	5.9
67.05495	88.2
69.03422	32.0
69.07055	21.6
71.01348	4.4
71.04977	11.5
73.02910	3.4
77.03913	3.0
77.97992	2.2
79.05480	100.0
81.03405	36.3
81.07045	82.9
83.04957	19.7
83.08607	16.4
85.02897	13.0
85.06529	6.3
86.50603	2.4
91.05463	95.0
93.07027	85.8
95.04951	31.9
95.08596	52.8
97.02876	10.2
97.06522	9.4
97.10161	6.4
99.04440	4.6
99.08063	3.3
103.03912	6.0
103.05447	5.9
105.04501	3.2
105.07009	78.8
107.04945	20.3
107.08580	41.3
109.02831	7.6
109.06519	13.4
109.10146	16.3
111.04445	6.4
111.08076	7.0
115.05418	5.1
117.06997	39.1
119.04878	2.7
119.08557	58.2
121.06492	10.1
121.10118	18.0
122.10442	2.3
123.04432	5.4
123.08040	12.1
123.11668	4.2
125.09636	2.9
127.03907	5.2
128.06194	16.4
129.05486	3.5
129.06979	44.0
130.07607	2.2
131.04851	2.9
131.08546	42.9
133.06456	6.8
133.10103	31.1
135.08009	10.8
135.11676	10.3
137.05963	2.8
137.09541	4.9
137.72382	2.6
139.07458	3.4
139.11130	2.7
141.06975	21.4
142.07765	8.5
142.98271	2.6
143.08537	34.7
144.09354	2.9
145.06450	10.4
145.10089	39.4
147.08015	10.3
147.11661	30.3
149.09639	4.9
149.13249	3.9
151.07503	3.5
153.06958	7.1
154.07768	5.1
155.08525	31.8
156.09297	5.0
157.06493	4.3
157.10112	28.0
159.08028	9.7
159.11671	24.0
159.68536	2.5
161.05910	2.9
161.09599	8.4
161.13199	11.7
163.07613	2.8
163.11150	4.9
165.06958	5.3
166.07664	6.0
167.08519	14.7
168.09302	3.9
169.06499	3.7
169.10098	27.6
171.08000	9.8
171.11642	37.1
173.09599	7.1
173.13263	11.3
175.07613	3.0
175.11201	4.7
177.12703	2.8
178.07700	3.5
179.08514	13.8
180.09286	4.7
181.06461	2.5
181.10063	19.1
183.08018	7.8
183.11642	21.5
185.09601	6.7
185.13258	9.7
187.11124	8.7
189.12730	8.3
191.08577	3.7
192.09303	4.6
193.10117	11.6
194.10838	2.6
195.07983	6.5
195.11691	20.1
197.09583	9.8
197.13225	12.2
198.91745	2.1
199.11192	5.9
199.14764	6.5
201.12679	4.3
203.08490	2.7
205.10054	8.0
206.10829	3.8
207.11653	16.4
207.13785	11.5
209.09637	4.7
209.13200	15.9
211.11107	5.9
211.14867	7.3
213.12683	6.5
217.10081	3.0
219.08133	2.6
219.11682	7.6
220.12459	2.5
221.09686	3.2
221.13176	13.2
223.11240	5.4
223.14812	8.3
225.12688	7.1
227.14487	2.9
231.11726	4.8
233.13168	6.7
233.15393	3.4
235.11110	4.3
235.14832	5.5
237.12686	5.7
237.16422	3.5
239.14359	4.8
239.18008	2.9
241.19514	2.9
247.14748	4.6
249.16389	3.3
251.14211	4.1
259.20554	6.8
269.15323	2.9
269.18857	2.6
271.20468	4.5
279.15817	4.3
281.17395	23.6
287.16370	2.5
295.20480	3.0
299.20056	5.6
307.20422	6.3
307.60123	2.7
311.20190	2.9
313.21481	3.0
321.22034	6.7
325.21527	7.8
331.20453	3.7
339.23227	5.6
341.20840	2.8
349.21497	16.3
351.23306	2.6
367.22580	25.5
369.24115	3.0
379.25882	3.0
385.23700	12.5
403.24838	3.7
441.26483	6.9
459.27328	7.1
471.32339	2.8
514.56854	2.5
521.35999	3.9
527.34662	3.8
537.34369	3.4
539.36963	7.7
555.34534	6.4
563.37134	3.6
571.46771	4.1
574.49506	2.6
575.37079	2.8
593.38074	8.7
601.38428	5.1
605.38013	3.6
609.38794	3.1
619.39990	14.0
623.39355	5.1
629.37689	7.5
637.40649	4.8
647.39331	27.5
665.40198	33.1
683.41461	61.6
684.41272	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	683.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	16.0
55.01868	14.4
55.05502	37.1
57.03437	11.8
57.07061	6.3
57.37027	2.1
61.02908	2.4
62.20691	2.1
65.03916	8.9
67.05496	96.1
69.03421	31.2
69.07058	31.6
70.54049	2.0
71.01329	2.6
71.04974	8.4
71.70399	4.5
73.02911	2.9
79.05482	99.7
81.03402	40.6
81.07044	82.0
81.07404	1.2
83.04960	19.1
83.08625	16.4
85.02889	14.6
85.06522	6.3
89.85802	1.9
91.05464	100.0
93.07033	89.7
95.01271	3.0
95.04951	33.7
95.08587	61.4
97.02879	7.1
97.06524	9.6
97.10147	8.2
99.04430	6.2
103.03936	4.3
103.05467	2.8
105.07012	74.1
107.04946	24.9
107.08582	36.9
109.02872	11.8
109.06506	11.3
109.10133	22.0
111.04424	8.2
111.08067	4.4
115.03963	2.4
115.05449	9.9
116.06262	3.2
117.07003	38.4
119.04939	3.4
119.08562	51.2
121.06496	15.2
121.10133	19.3
123.04408	4.9
123.08053	11.7
123.11658	3.2
125.09609	3.5
127.03900	6.2
128.06175	13.7
129.05481	5.5
129.06973	44.2
130.07780	4.0
131.04907	2.8
131.08551	43.0
132.27678	2.1
133.06479	6.7
133.10103	32.0
135.08051	10.5
135.11656	14.5
137.05928	2.6
137.09601	4.4
141.06960	19.9
142.07811	12.5
143.08545	34.0
145.06494	12.7
145.10114	34.9
147.08017	8.3
147.11674	32.6
149.09599	9.3
149.13223	4.8
151.07530	2.5
153.06921	7.2
154.07761	5.7
155.08533	26.3
156.09299	4.2
157.06442	6.6
157.10100	29.8
159.07976	7.4
159.11642	21.9
161.09605	7.7
161.13222	11.7
163.07552	2.1
163.11185	6.2
165.06964	8.3
167.08556	21.0
168.09328	5.1
169.06464	2.4
169.10104	32.6
170.10719	2.5
170.15398	2.3
171.08051	10.4
171.11676	39.8
173.05901	2.6
173.09625	10.2
173.13237	13.1
175.11140	2.7
175.14798	3.8
177.12749	3.3
178.07726	3.4
179.08505	13.4
180.09297	3.7
181.06564	2.6
181.10103	20.4
182.10815	3.0
183.08017	7.5
183.11671	22.0
185.09605	8.2
185.13242	11.7
187.11143	10.1
187.14807	4.6
189.12740	10.5
191.08566	5.2
192.09308	6.1
193.10098	19.0
194.07124	2.4
194.10760	3.9
195.08046	6.1
195.11703	18.7
197.09669	6.7
197.13216	14.3
199.11142	5.8
199.14781	5.5
199.53593	2.7
204.09349	3.9
205.10063	8.0
207.11679	15.0
207.13809	11.6
208.12485	2.6
209.09612	8.3
209.13177	14.6
210.10359	3.0
211.11159	4.7
211.14822	8.1
213.12753	5.1
213.16296	2.4
215.14360	2.5
217.10129	3.4
219.11644	9.9
220.12288	2.3
221.13362	11.0
221.15195	2.3
223.11197	6.8
223.14803	8.1
225.12704	4.4
225.16472	4.1
231.11642	5.4
233.09558	2.6
233.13246	6.5
235.14813	6.3
237.12746	3.5
239.14339	3.8
243.11617	3.3
245.13359	3.6
247.10944	2.4
247.14789	5.7
249.12659	3.3
249.16234	2.8
251.14182	5.8
257.19073	2.8
259.14758	3.7
259.20496	6.3
265.15924	2.4
271.20593	3.9
275.20160	3.9
279.15833	3.8
281.17264	15.4
287.20093	3.0
295.20303	3.6
299.20023	5.5
301.21655	2.6
307.20422	3.6
311.19949	2.7
313.21457	4.3
321.22055	5.4
325.21579	5.0
331.20172	2.9
333.24625	2.8
339.23190	4.8
341.28067	2.5
343.22748	3.9
349.21509	16.5
351.23068	6.4
363.23117	3.5
367.22598	12.7
375.22864	2.6
385.23624	10.2
423.25452	3.0
429.26486	2.7
441.26056	7.0
459.27335	6.1
483.33121	2.6
521.35413	2.6
527.35242	4.0
537.35162	6.8
539.37262	5.8
545.36224	3.0
555.35632	4.0
563.37213	4.5
571.47211	5.3
573.35919	4.4
575.37360	2.5
591.36835	2.8
593.38019	6.9
601.38623	4.3
605.38245	5.1
619.39624	10.5
623.39233	3.1
629.38226	9.4
635.39130	4.3
637.40198	7.4
647.39099	23.9
657.71307	2.3
665.40302	29.3
683.41406	64.0
684.41785	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	683.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73285	1.5
51.84688	1.4
52.42022	1.3
53.03945	10.3
55.01859	10.0
55.05503	15.7
55.51538	1.3
57.03427	13.1
57.06802	1.9
57.07067	39.1
67.05492	35.2
69.03428	15.4
69.07059	11.6
71.04972	11.0
71.08623	28.7
79.05479	17.6
81.03407	100.0
81.07040	33.3
82.82439	1.3
83.01317	1.9
83.02934	1.5
83.04970	25.8
83.08614	14.2
85.02895	7.0
85.06543	1.6
85.10178	12.1
91.05457	12.3
93.07034	22.1
95.04939	6.6
95.08588	29.2
97.02876	32.7
97.06506	8.0
97.10144	8.0
98.21471	3.5
99.04442	11.6
99.08066	3.4
101.02354	2.1
105.06995	8.4
107.04926	5.0
107.08563	11.5
109.02860	33.7
109.06511	3.3
109.10139	17.1
111.04421	31.5
111.08067	13.8
113.00008	2.0
117.06998	6.0
119.08578	7.8
121.10143	13.2
123.08060	2.0
123.11680	4.3
125.05971	4.1
125.09589	2.9
127.03898	23.1
129.05440	2.0
130.07748	1.5
131.08533	5.4
133.10092	4.7
135.11671	18.4
145.10097	11.2
147.07997	1.7
147.11658	4.8
149.09621	3.2
153.12720	26.7
155.08568	2.2
159.11668	1.6
160.57310	1.4
161.11798	1.6
161.13290	2.7
163.09921	2.6
163.11160	27.1
173.09587	4.1
175.11142	1.5
181.12234	25.7
183.06575	1.7
189.11223	1.6
191.10669	20.2
204.11057	1.7
209.11693	9.4
211.13237	2.0
227.12744	42.0
239.23665	4.2
255.23178	4.5
256.23477	4.0
259.20407	1.8
283.15381	20.0
289.14301	1.6
313.27310	54.2
315.23291	2.1
341.26843	2.0
353.15875	12.5
383.28073	2.5
409.18329	1.7
421.29657	2.3
427.19617	19.7
446.77539	1.4
521.38098	5.7
539.39722	8.6
571.47028	6.1
634.59045	1.8
651.27563	2.0
665.42657	12.5
683.44348	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.2
55.01865	7.0
55.05505	48.8
57.03421	21.9
57.07067	6.8
65.03938	8.5
67.05495	100.0
67.21349	1.9
69.03417	3.6
69.07059	32.5
69.53638	6.8
69.54066	13.1
71.04977	5.5
75.04475	6.3
79.05483	75.4
81.03410	7.0
81.07045	98.9
83.04989	5.2
83.08617	20.1
85.02897	6.4
85.06538	6.0
91.05469	80.5
93.07035	86.9
95.04953	14.9
95.08594	81.9
97.02913	2.3
97.06522	10.0
97.10167	9.6
103.05423	2.2
105.07016	85.6
107.04975	5.3
107.08573	60.0
107.09686	2.3
108.95003	2.3
109.06508	4.8
109.10155	40.0
111.08067	6.0
115.05453	7.3
117.06990	31.6
117.07660	2.7
118.76611	1.9
119.08566	70.0
121.10131	40.1
123.08080	4.8
123.11697	8.2
125.09608	5.5
128.06239	9.4
129.05502	3.7
129.06981	32.8
130.07835	3.0
131.07063	3.2
131.08545	54.7
133.10112	53.6
135.08026	4.5
135.11656	24.1
137.09656	3.7
137.13255	2.7
139.11078	2.1
141.06947	13.9
142.07753	6.3
143.08549	37.7
145.10098	47.4
147.11668	26.9
149.02312	2.3
149.09651	6.2
149.13255	18.6
151.11227	2.7
153.06964	2.8
154.07704	2.6
155.08524	21.9
155.53885	2.1
156.09372	3.6
157.10109	38.2
159.08167	2.4
159.11664	37.4
161.13235	18.2
163.11182	3.8
163.14868	5.1
165.07033	4.3
165.12663	2.3
167.08522	11.5
168.09348	4.2
169.10109	30.5
170.10817	3.2
171.11676	36.1
173.11813	4.2
173.13210	22.3
175.11287	2.7
175.14809	10.1
179.08572	6.1
181.10107	13.9
182.11067	2.7
183.11665	27.2
185.13248	22.0
187.14827	13.4
189.11252	2.9
189.16444	5.9
191.14366	2.5
193.10135	5.1
195.11690	12.5
197.13199	23.2
199.14847	17.3
201.16382	6.0
203.14349	3.8
207.11806	5.8
209.13191	14.0
211.14862	15.0
213.16429	10.2
215.17894	3.4
219.17577	3.2
221.13219	6.1
223.14882	9.0
225.16403	8.7
226.04282	2.4
227.12848	2.7
227.18045	8.7
229.14403	7.4
231.17526	3.3
231.21352	2.7
235.14751	3.3
237.16434	6.3
239.18018	7.1
241.19582	8.0
245.18983	2.3
251.18054	3.4
253.19698	3.0
255.17316	2.8
257.18976	2.8
259.20541	19.3
265.19479	3.5
271.20654	3.3
275.20154	6.8
277.21643	4.8
283.20569	2.7
285.22165	3.4
295.20361	3.2
297.18903	2.4
297.22202	4.3
309.21994	2.9
315.23270	6.1
323.23676	4.8
333.24222	28.0
337.25284	4.3
339.26996	2.3
349.24405	4.2
351.25772	8.9
365.28442	4.7
369.28030	3.5
381.27856	3.7
395.29495	2.7
403.29138	4.0
409.31079	3.6
425.30817	2.7
435.32639	3.0
447.32748	5.6
449.34314	3.0
465.33908	3.4
476.83383	2.4
499.39316	5.1
503.33798	8.0
517.40448	22.4
521.35791	3.4
535.41498	9.2
571.47998	2.5
573.42975	3.9
591.43909	23.2
609.45142	14.2
627.45813	4.2
665.47815	9.1
683.48773	70.8
684.49060	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	684.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
54.16603	0.3
55.01861	0.6
55.05500	0.3
57.03426	3.6
59.04985	0.4
61.02920	0.4
62.06080	26.7
65.90759	0.3
69.03416	2.3
70.06583	0.7
71.01341	0.4
71.04984	21.3
71.69578	0.3
71.69975	0.5
73.02928	0.3
74.06038	0.3
75.04462	0.8
79.05469	1.2
79.69662	0.3
81.03394	0.9
83.04961	1.7
85.02895	24.7
85.65762	0.3
86.06025	0.8
87.04453	0.5
89.03905	2.3
91.05414	0.6
93.07014	0.3
95.04964	0.6
97.02880	5.2
99.04456	0.7
105.07043	0.3
107.04942	3.7
109.02767	0.4
111.04420	1.1
117.03352	2.9
119.04908	0.4
121.02857	0.4
123.04366	0.4
127.03866	0.9
128.07063	0.4
129.05463	6.5
130.20966	0.3
133.06476	0.6
135.04395	11.5
137.05946	1.0
145.02823	7.9
145.04938	0.5
147.06532	1.5
149.05968	0.5
151.07336	0.3
153.05443	5.2
163.03880	100.0
164.04248	2.3
165.05466	0.7
173.23793	0.4
177.05455	0.4
181.04942	2.8
182.08090	0.4
188.09157	0.6
190.10727	0.5
196.09673	0.4
203.07011	0.3
208.11768	3.6
212.09010	0.3
214.10695	1.5
271.06049	0.4
287.05136	0.4
307.08191	0.6
309.09641	0.8
320.10159	0.4
325.09128	22.3
326.09454	0.6
353.12201	0.6
353.71082	0.3
354.12173	0.4
459.12503	0.5
471.14920	0.6
538.19049	1.5
684.24628	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
55.01862	1.6
55.05508	7.3
55.10799	0.9
57.03421	3.3
61.02906	0.9
61.79875	0.9
62.88713	0.9
65.42918	0.9
67.05141	1.3
67.05499	23.5
67.47018	0.8
69.07054	5.4
70.02895	5.4
71.04945	1.3
73.06583	0.9
77.03909	0.9
79.05484	38.2
81.03410	3.5
81.07048	21.8
83.04973	7.3
83.08610	3.3
85.06547	1.0
91.05466	31.4
93.07034	37.9
94.07361	1.3
95.04961	12.6
95.08595	12.6
97.02911	1.6
97.06542	2.6
97.10143	1.5
98.21397	1.4
105.07017	22.9
107.04932	4.2
107.08595	8.7
109.06499	3.7
109.10130	3.1
112.43402	0.8
117.07021	5.1
117.07702	0.9
119.08556	12.2
121.06461	1.7
121.10126	2.8
123.08071	4.2
128.06183	1.9
129.06979	9.6
131.08499	1.4
133.10126	5.2
143.08562	6.4
145.10120	6.1
147.08047	2.0
147.11676	21.4
156.09383	1.1
161.09583	2.4
161.13237	6.8
171.11681	15.8
189.12700	6.8
205.37814	1.0
207.13773	23.2
225.14819	2.1
263.16446	2.1
281.17438	51.0
282.17792	1.4
393.14709	1.1
469.29321	2.0
487.30511	100.0
488.30814	6.6
528.91620	1.0
704.01007	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
53.81763	1.3
55.05503	11.4
57.03389	1.5
57.07064	3.2
65.03934	2.2
67.05501	10.7
69.03429	3.1
69.07059	12.5
70.06585	1.6
70.95412	4.1
71.04966	4.3
79.05473	12.0
80.09744	1.4
81.03403	4.3
81.07047	22.6
83.04982	3.4
83.08607	8.0
85.02895	8.2
85.06509	3.2
87.04428	2.1
91.05463	17.4
93.07035	33.8
95.04945	3.7
95.08591	31.3
97.02885	3.4
97.06519	6.5
97.10174	3.5
99.08077	28.4
105.07014	39.4
107.08576	57.4
109.02820	1.7
109.06505	3.8
109.10130	31.0
111.04419	1.6
111.08055	3.9
117.07008	6.8
119.04883	2.4
119.08559	81.6
120.08921	1.5
121.00995	1.6
121.06448	1.8
121.10124	45.0
123.08057	4.7
123.11665	15.6
125.09631	2.1
127.03902	2.2
129.06967	3.9
131.08553	44.4
133.06509	2.1
133.10109	46.3
134.10487	1.6
135.08043	6.1
135.11662	29.1
137.05943	7.2
137.09601	5.9
137.13240	3.6
142.07703	2.6
143.08533	10.7
144.09254	2.6
145.10103	46.9
147.04413	5.0
147.08040	1.9
147.11664	60.5
149.09676	3.9
149.13243	13.9
151.03900	3.2
151.11147	3.5
153.12709	4.1
155.08519	3.4
157.10101	15.6
158.10895	2.7
159.11674	40.4
161.09624	3.7
161.13239	23.4
163.03865	4.4
163.07483	2.0
163.11133	9.7
163.14810	10.1
165.12695	3.7
169.10121	6.0
170.10841	3.4
171.11649	16.1
172.12465	1.8
173.13243	37.5
175.14769	13.3
177.05400	2.1
177.12756	6.0
177.16353	14.5
179.14297	4.8
180.08682	1.9
183.11690	9.4
185.13242	27.5
187.14792	77.1
189.12814	1.9
189.16353	20.5
191.14355	3.0
191.17966	9.1
195.13817	3.7
197.13237	6.0
199.14792	24.9
201.16359	77.2
203.14429	3.8
203.17917	5.8
205.15845	49.3
207.17375	12.7
209.13211	4.5
211.14793	8.0
213.16360	10.9
215.14270	5.6
215.17929	8.0
217.15872	8.7
219.17390	25.0
223.14830	3.0
223.16873	34.4
224.17284	2.0
225.16379	3.9
227.17888	6.7
229.15709	2.0
229.19508	2.0
231.17387	6.1
233.15405	1.8
237.16284	2.3
237.18484	5.5
239.17912	2.5
241.19612	2.6
243.17336	2.5
245.18973	3.3
251.16376	5.9
253.19580	4.3
255.21069	2.0
259.20663	4.1
265.19574	1.7
267.21133	2.1
269.18872	1.6
271.20523	4.0
273.22070	1.9
275.96332	1.7
283.20557	18.6
295.20718	2.4
297.22302	3.5
301.21521	5.5
311.23651	2.7
333.25803	3.2
351.26724	5.1
353.28186	1.8
369.27838	3.5
369.32306	1.6
370.53085	1.5
387.30310	4.7
389.31909	4.4
393.31277	2.1
405.31516	33.4
405.36746	2.1
407.32950	18.3
423.32532	47.1
425.34103	23.9
441.33563	100.0
442.34021	2.2
443.35104	5.1
451.32071	16.6
469.33148	15.9
487.34070	9.6
508.20856	3.1
509.21274	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	684.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50119	1.2
53.03926	2.2
55.01873	1.5
55.05501	10.1
57.03418	3.9
57.07067	4.4
59.04998	2.1
61.02902	2.2
65.03931	1.5
67.05497	15.2
69.03413	4.7
69.07057	16.9
69.15561	1.0
69.57174	3.5
69.57600	7.0
70.06580	1.6
71.04981	4.1
71.08630	1.5
73.16840	1.0
79.05485	13.0
79.44931	1.4
79.45396	1.3
81.03393	3.6
81.07047	23.6
83.04959	3.3
83.08615	8.1
85.02895	17.0
85.06520	3.6
91.05444	18.1
93.07028	36.0
95.04951	3.8
95.08590	37.5
96.68037	1.1
97.02882	7.5
97.06517	5.8
97.10135	1.4
97.60191	1.1
99.04482	1.7
99.08078	39.5
102.30044	1.1
105.07011	64.3
107.08576	62.9
107.09330	2.3
109.02872	2.3
109.06472	3.9
109.10141	34.0
111.08064	3.5
111.11714	1.4
115.05437	1.8
117.06998	5.7
119.08562	97.9
120.08861	1.8
121.06497	3.1
121.10126	48.9
123.08054	5.1
123.11678	16.6
125.09634	3.2
127.03918	4.2
128.06207	2.1
129.06981	5.3
130.07797	1.9
131.08543	56.4
132.60628	1.2
133.06491	4.6
133.10118	59.7
135.08054	5.4
135.11668	36.8
137.05980	1.7
137.09601	5.5
137.13243	4.1
139.11194	1.6
143.08545	15.5
144.06534	2.2
144.09331	1.7
145.04964	3.1
145.10104	58.7
147.04382	1.8
147.08096	2.1
147.11656	72.2
148.12061	2.0
149.09618	7.2
149.13234	20.7
151.07556	1.6
151.11127	5.5
151.14781	1.6
153.12682	2.5
154.07773	1.4
155.08525	4.1
156.09297	3.6
157.10100	20.9
158.10884	2.1
159.08047	1.3
159.11670	48.1
161.09613	3.7
161.13235	24.2
162.07608	5.2
163.03888	4.2
163.11163	14.1
163.14801	18.7
165.12747	2.7
168.09357	1.2
169.10118	4.8
170.10902	6.0
171.11652	16.7
172.12344	2.3
173.13226	45.3
174.13799	2.1
175.11157	2.7
175.14793	25.1
177.12790	8.3
177.16345	20.8
179.14252	6.7
180.08687	9.2
181.10114	3.4
183.11644	8.5
185.13237	35.8
186.13828	1.9
187.14793	100.0
188.15154	3.4
189.12900	1.5
189.16354	31.3
191.14301	5.1
191.17918	7.8
193.15981	1.5
195.11929	2.4
195.13840	5.1
197.13272	6.3
199.14801	33.2
201.16359	100.0
202.16676	2.4
202.72583	1.4
203.14272	13.9
203.15897	1.4
203.16273	1.4
203.17909	9.2
205.15852	79.5
206.16171	2.0
207.17418	16.8
209.13310	2.7
211.14764	9.1
213.16302	13.9
215.14349	6.2
215.17850	9.7
217.15860	13.6
219.17419	34.7
221.15364	4.7
221.19035	2.9
223.14926	3.5
223.16893	68.4
224.17291	2.1
225.16304	4.8
227.17963	7.2
229.15881	5.4
229.19411	2.3
231.17418	8.5
233.15337	2.1
233.19081	2.7
237.16444	2.5
237.18484	7.3
239.17906	3.4
241.19493	4.1
243.17422	3.8
245.15228	1.7
245.18994	5.1
249.18459	1.4
251.16113	10.0
253.19559	3.4
255.21155	2.9
257.18964	2.3
259.20554	2.9
263.16357	4.3
267.20898	2.0
269.18884	1.4
271.20520	3.8
273.22150	3.3
277.19479	1.2
283.20462	8.5
285.22110	1.3
297.22058	1.3
301.21506	1.5
302.13843	1.2
311.23639	2.3
319.24210	1.6
323.23544	2.3
323.27353	1.7
335.23645	1.7
351.26843	7.4
353.28348	2.1
365.28403	1.5
369.27936	1.7
385.67664	1.3
387.30359	6.4
389.31931	2.9
393.31442	3.6
395.32687	2.0
405.31476	48.3
405.36896	2.9
406.31827	4.1
406.37842	1.1
407.33078	27.9
408.33206	2.1
423.32510	64.5
424.32965	3.0
425.34055	34.1
426.34283	2.6
433.30887	3.9
441.33600	86.3
442.34015	6.7
443.35101	9.2
451.31979	22.9
459.34625	26.5
469.33170	19.3
487.34122	14.5
587.71094	1.3
684.35992	1.6
685.37793	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87260	0.8
55.05493	1.2
57.07063	1.9
67.05495	2.8
69.07070	1.6
69.55402	4.6
69.55836	3.4
71.08630	2.1
79.05487	1.1
81.03413	2.2
81.06571	0.8
81.07053	3.1
82.24744	1.0
83.04985	1.0
85.10151	1.1
87.04485	0.9
89.06020	1.5
91.05435	1.6
93.07034	1.1
93.44834	1.0
95.08603	3.1
97.10161	1.2
105.07059	2.1
107.08602	1.3
108.03092	0.8
109.10120	2.1
119.08556	1.8
133.10020	1.2
147.04384	1.0
302.12854	1.0
313.27365	2.1
314.16525	1.1
363.15988	1.2
364.17615	1.3
365.17932	1.7
375.15897	1.1
377.17743	2.9
378.18671	2.1
379.19263	4.3
389.17972	1.8
391.19315	2.6
392.03729	1.0
392.20145	1.9
393.20877	8.3
405.20947	3.3
406.21744	1.7
407.22604	7.6
409.20178	3.0
417.20972	1.1
419.22665	1.8
420.19196	1.1
421.20258	4.7
423.21780	2.7
433.19955	2.2
435.21936	5.3
437.19043	7.3
447.22229	2.0
449.19785	1.8
450.20425	1.7
451.21201	18.5
452.21838	1.9
461.18961	1.9
461.24191	1.9
463.21664	1.3
465.23120	14.8
477.18860	5.2
479.20334	8.3
489.19370	4.6
493.22141	1.5
495.27347	2.9
505.22476	2.7
517.23218	4.3
518.23053	1.0
521.25549	1.9
523.27246	4.5
523.39526	1.6
533.22046	3.4
537.24701	2.4
539.26349	1.1
549.25134	5.2
552.26941	2.8
553.28027	6.9
565.24194	2.9
567.26233	2.4
573.48706	1.5
575.23608	1.2
581.27448	5.1
590.25677	1.1
604.22803	1.8
625.26660	8.2
635.25287	1.2
636.25714	2.8
653.25940	1.8
667.27368	18.8
685.28583	100.0
686.28790	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	18.6
53.41479	4.8
54.23644	4.4
55.01857	20.0
55.05267	6.9
55.05505	67.3
57.03417	21.1
57.07059	5.2
63.00141	5.0
65.03933	7.2
67.05497	89.9
67.94466	5.2
69.03423	52.5
69.07064	24.6
70.96310	12.0
70.96652	5.9
71.04989	17.3
71.05447	3.8
79.05482	85.7
79.19617	4.9
81.03407	72.6
81.07043	95.5
83.00610	4.9
83.01334	9.3
83.04958	33.9
83.08607	33.2
85.02911	23.5
91.05449	100.0
93.07029	78.2
95.04950	40.8
95.08589	56.4
97.02853	13.7
97.06513	14.7
97.10146	25.1
98.93790	4.6
99.04476	7.8
105.07011	80.4
107.04985	26.0
107.08574	59.2
109.02874	21.8
109.06499	14.3
109.10133	22.0
111.04441	16.2
111.08058	10.8
115.05447	9.8
117.07004	44.1
119.04893	5.2
119.08562	54.2
121.06469	13.2
121.10116	28.4
123.08083	16.3
125.05981	6.1
125.09614	16.8
127.03889	11.1
128.06192	10.3
129.05498	4.7
129.07001	33.2
130.07765	9.7
131.08546	45.8
131.35417	5.3
133.06531	12.2
133.10139	33.6
135.08038	17.2
135.11674	21.8
141.06987	17.3
142.07762	15.1
143.08519	33.3
144.09325	5.0
145.06465	15.8
145.10104	51.8
147.08006	11.6
147.11642	18.7
147.76091	4.9
149.05940	6.2
149.09581	11.5
149.13306	4.8
151.07492	8.5
153.06999	9.0
153.12729	13.5
154.07576	6.3
155.08540	24.5
157.00098	5.2
157.06465	10.1
157.10100	21.0
159.08015	4.9
159.11678	19.5
161.06094	5.7
161.09564	6.3
161.13193	8.2
163.11185	22.3
165.07037	8.5
165.09175	5.9
166.07791	7.1
167.08504	15.1
168.09343	8.0
169.06496	6.1
169.10127	26.3
171.08011	11.5
171.11639	23.5
173.04413	8.1
173.09671	11.6
173.13202	12.8
175.11209	6.9
175.17537	4.7
177.08958	5.7
179.08575	13.8
180.09369	5.0
181.10089	24.7
181.12221	11.1
183.11697	19.5
185.09557	9.6
185.13153	12.3
187.11223	5.8
189.11211	12.0
189.12715	5.7
191.10609	10.2
193.10095	12.9
195.11713	16.5
197.13261	12.5
199.11137	10.3
199.14740	6.9
207.11679	9.5
209.09579	5.9
209.11588	10.2
209.13312	8.3
211.11203	7.6
211.14969	8.5
213.12817	10.9
219.11618	8.7
221.13300	8.7
223.14742	10.5
227.12724	19.8
235.14920	5.9
237.12775	6.5
257.18951	7.2
271.20435	7.0
275.20053	9.4
283.15277	24.8
297.22168	6.3
299.19797	5.2
309.21783	5.2
311.14035	4.8
313.21622	7.3
315.23444	5.5
339.23080	9.6
349.21671	16.8
367.22833	29.5
374.42606	5.8
385.23599	13.0
423.24826	6.4
441.26224	7.1
445.20438	7.1
459.27148	6.9
473.19458	7.1
523.34045	14.3
541.35114	9.7
561.20728	6.3
573.48083	6.8
575.22760	15.7
595.36395	5.7
603.22113	11.7
607.25403	7.7
635.24719	16.8
649.36731	19.1
653.25690	8.9
667.27124	37.4
667.38129	24.9
685.28436	17.1
685.39362	94.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.7
55.01868	5.5
55.05498	40.4
56.20385	2.9
57.03416	19.0
57.07067	47.1
62.78317	2.6
65.76987	2.7
67.05498	41.9
69.03420	16.9
69.07056	17.9
71.04976	6.8
71.08254	3.2
71.08624	38.7
73.02900	4.5
73.24208	2.7
74.42558	3.4
79.05473	30.3
81.02938	5.5
81.03406	100.0
81.07047	42.2
83.04970	95.1
83.05345	1.8
83.05475	4.1
83.08613	27.3
84.80545	2.5
85.02904	19.2
85.06528	5.1
85.10178	17.8
91.05437	17.2
93.07024	24.8
95.04961	25.5
95.08600	37.3
97.02869	11.5
97.06499	6.3
97.10159	9.4
98.21490	4.9
99.04450	8.0
105.07016	23.1
107.04948	8.0
107.08557	15.6
109.02856	12.6
109.06510	5.9
109.10136	20.3
111.04421	35.6
111.08046	10.9
119.08598	20.8
121.10095	14.7
123.07967	3.4
123.11670	8.5
125.09655	3.5
127.03914	11.0
127.75926	2.8
129.05463	45.1
129.06995	10.6
129.89891	2.4
131.08554	14.3
133.10104	8.8
135.11671	3.9
145.10094	9.6
147.11716	17.7
149.09636	6.9
153.12737	6.5
157.10095	12.5
163.11168	9.8
165.12698	9.2
175.11186	9.7
181.12212	10.4
191.10686	12.6
193.12204	40.6
211.13281	64.3
227.12756	19.4
229.14294	14.8
239.23712	11.0
267.15860	13.0
276.75894	3.1
283.15454	6.1
285.16971	14.1
313.27277	74.7
337.16452	4.3
355.17343	9.7
429.21417	16.5
431.18381	3.8
501.22519	4.4
505.38458	6.8
523.39917	92.9
524.40070	6.1
530.19562	9.6
539.39380	3.3
545.38049	3.6
573.48730	6.9
593.23724	4.5
606.18616	3.0
617.23267	8.5
621.22418	3.4
635.24969	51.9
636.24744	11.2
653.26147	4.8
667.44202	20.1
685.27765	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	686.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.5
55.01846	3.1
56.43185	1.4
57.95016	1.6
60.04508	1.8
65.03921	1.9
67.05484	6.7
69.03417	5.8
70.06578	2.7
71.05000	1.9
71.05363	3.5
71.05722	2.2
76.84519	1.3
79.05478	5.6
80.05002	4.1
81.03410	9.5
81.05827	1.2
81.07031	2.9
82.06541	2.2
85.02882	5.3
85.06519	1.7
91.05470	7.0
93.05762	3.6
93.07030	10.5
94.06550	13.3
95.04946	5.7
95.07341	10.1
95.08589	4.0
96.08114	19.9
97.02861	4.3
97.06479	2.0
103.01337	1.3
103.05443	2.8
103.82919	1.4
106.06517	2.7
107.07297	5.5
108.08100	36.6
109.02843	8.1
109.08921	1.6
110.06017	1.7
110.09657	41.3
118.06516	3.1
120.07291	2.6
120.08096	33.5
121.06471	3.4
122.06030	3.7
122.09663	13.2
124.07568	5.0
126.09124	6.2
127.03872	4.1
136.07558	30.4
137.05913	1.9
138.05490	16.7
138.09111	51.6
146.05986	28.0
148.07567	18.9
149.05978	1.8
150.09108	23.6
154.08600	20.7
160.03835	2.2
162.05444	2.9
163.03877	3.5
166.04967	12.2
166.08611	100.0
168.10191	2.0
174.05493	7.8
178.08624	2.3
179.72784	1.3
180.10266	1.9
192.06508	2.8
194.08141	3.1
196.09619	2.9
197.10780	1.4
198.09181	1.9
204.06577	1.8
206.08089	4.9
209.10561	2.5
211.08710	4.1
212.09134	1.6
213.10213	4.5
214.08472	1.9
216.10214	2.7
219.09073	1.5
222.07629	1.5
223.08549	4.0
225.10164	11.5
226.10847	2.3
227.08115	4.0
227.11781	2.7
237.10164	18.5
238.08772	2.0
238.10919	2.0
239.08109	5.5
239.11780	8.0
240.08833	2.1
241.09688	8.9
242.10568	1.6
243.11348	1.8
246.11241	2.1
251.08133	11.5
252.08849	2.7
253.09679	27.5
254.08035	3.8
254.10439	2.7
255.11177	5.8
265.09680	26.6
266.07971	3.4
267.07675	6.5
267.11160	10.8
269.09256	3.3
269.12607	2.5
270.07465	1.8
277.09546	3.0
279.07693	4.5
279.11053	1.8
281.09183	23.2
283.10773	14.0
284.11795	1.4
285.12195	2.3
287.10147	4.0
293.09149	22.3
294.09912	2.1
295.10712	17.8
297.08832	2.4
297.12198	1.6
299.10263	4.8
301.11774	3.4
307.10535	1.6
309.08554	6.5
311.10233	13.8
313.11682	7.3
321.08691	13.0
322.06839	2.9
323.10397	2.1
325.11691	2.8
327.09653	6.6
327.13391	3.8
339.09622	9.7
341.11206	7.4
343.12576	2.0
353.11295	9.7
354.09875	3.5
359.12448	6.6
359.16129	5.2
371.12527	7.3
381.10822	3.4
388.16351	2.5
400.16537	1.9
401.13391	2.8
409.14063	2.5
413.13358	3.5
417.16858	1.7
418.17703	2.0
419.12088	1.9
421.13849	1.5
425.13422	4.2
427.14920	5.5
428.16150	2.5
435.11829	2.6
437.13660	2.6
443.14047	2.0
445.16217	2.8
446.16901	4.4
448.18829	2.8
453.12976	8.4
453.18118	1.7
455.14420	3.1
457.15894	3.3
464.18082	3.9
465.12949	6.7
467.14462	5.1
471.13913	5.5
473.15378	2.0
474.16443	6.4
475.15579	1.9
481.18811	2.1
483.13785	5.7
485.15472	45.5
486.15512	3.7
492.17383	9.4
497.15421	2.8
503.16577	10.4
506.19333	7.0
515.16406	4.8
524.19989	5.5
546.21960	2.1
566.20874	4.3
574.21277	2.5
590.20709	3.1
592.22687	8.0
600.20056	7.4
604.22601	4.5
608.22131	4.9
610.23822	13.5
618.20728	7.7
619.19818	1.6
622.23724	2.9
632.22565	13.0
633.21387	1.6
636.21704	26.7
640.24335	2.9
650.23657	10.4
654.23022	17.8
668.24353	43.7
669.23950	4.6
686.25623	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	686.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01861	2.7
55.05503	10.2
57.03438	5.1
58.43617	0.7
67.05494	25.2
68.08137	0.6
69.03413	2.1
69.07063	6.8
71.04983	2.6
71.71387	1.2
73.06551	0.8
79.05481	34.9
81.03410	6.5
81.07043	24.7
83.04977	8.1
83.08606	5.8
85.02873	1.7
85.06543	0.7
88.74085	0.7
91.05456	22.4
93.07030	35.4
95.04955	11.2
95.07996	1.7
95.08592	25.9
97.02871	3.0
97.06530	2.4
97.10155	1.7
99.04429	2.4
103.05437	0.8
105.07011	17.6
107.04923	7.7
107.08579	18.1
109.02871	1.2
109.06511	3.3
109.10125	3.1
111.04433	1.9
111.08038	0.8
117.06980	7.9
119.08556	13.8
121.06484	3.1
121.10123	7.4
123.08041	3.0
125.05976	1.7
128.06230	1.3
129.07002	6.9
131.08543	2.9
133.06392	1.4
133.10120	5.8
135.08090	1.7
135.11670	20.8
141.07034	0.8
143.08517	4.2
145.10091	17.1
146.10519	0.9
147.08041	1.9
147.11676	13.3
155.08516	1.2
159.11743	0.9
161.09659	1.8
161.13208	4.3
163.11163	33.2
164.11461	0.8
171.11665	10.5
181.12209	4.5
184.07343	1.0
189.12741	3.6
207.13826	9.0
227.12744	31.3
281.17432	58.5
282.17752	1.2
283.15350	33.0
410.52789	0.9
471.26984	1.0
489.28406	100.0
490.28717	4.8
503.31174	0.9
686.39630	1.0
687.40509	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.2
54.34376	0.6
55.01867	3.8
55.05272	1.1
55.05507	12.8
57.03429	7.1
57.07076	0.7
59.04977	1.2
59.44568	0.7
61.02912	1.4
65.03929	1.3
67.05495	21.1
69.03407	1.7
69.07057	5.6
69.53307	6.8
70.40628	0.7
71.01290	0.8
71.04975	2.4
73.06530	0.9
79.05481	32.0
81.03407	7.7
81.07047	19.5
81.07472	0.5
82.13766	0.7
83.01334	3.0
83.04967	9.3
83.08604	7.0
85.02888	3.1
85.06515	1.7
91.05464	24.5
91.38932	0.7
93.07031	33.4
94.07403	0.9
95.04954	10.1
95.07988	1.4
95.08584	11.9
97.02879	2.3
97.06508	3.6
97.10144	1.9
98.20724	1.5
99.04440	1.4
105.07018	20.1
107.04939	6.4
107.08575	12.0
109.06490	5.3
109.10126	1.9
111.04445	1.3
111.08087	0.8
115.05437	1.3
117.06992	7.9
119.08568	14.0
121.06465	2.8
121.10143	5.1
123.08044	5.0
128.06236	1.0
129.06993	7.6
131.08545	2.1
133.06506	1.1
133.10112	4.8
135.11691	6.3
137.09636	1.4
143.08554	3.7
145.10098	10.7
147.08018	1.7
147.10561	1.4
147.11661	15.5
153.12733	1.7
155.08511	2.0
161.09540	1.8
161.13188	4.3
163.11162	11.0
171.11687	9.6
173.09598	2.2
181.12212	1.0
189.12686	3.7
191.10704	2.1
207.13774	14.0
209.11748	2.6
225.14807	1.0
227.12740	1.8
261.52289	0.8
265.14246	1.9
281.17441	34.8
283.15366	36.9
284.15656	0.8
423.23608	0.8
471.27258	5.1
489.28409	100.0
490.28549	4.0
686.38928	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67734	0.8
53.03939	1.2
55.01880	1.1
55.05506	11.7
57.03430	13.8
57.07060	3.2
57.39582	0.8
59.04994	3.6
61.02908	4.2
65.03931	2.2
67.05494	100.0
68.05828	1.3
69.03391	1.6
69.07056	8.2
69.56455	7.5
71.04986	4.4
71.08614	2.0
73.02928	1.3
79.05018	1.4
79.05479	19.7
79.77014	0.7
81.03404	1.4
81.07041	40.4
83.08607	8.7
85.02879	3.3
85.06527	3.3
90.63434	0.8
91.03936	1.5
91.05460	13.4
93.06441	1.1
93.07030	23.3
95.04954	2.6
95.08586	25.2
97.02882	2.2
97.06491	1.6
97.10160	2.0
98.20673	1.7
99.08092	1.3
105.06996	8.1
107.08571	14.4
109.06516	1.7
109.10137	72.0
110.10469	1.9
111.08068	3.5
117.07019	3.5
119.08578	10.7
121.10128	10.2
123.11705	3.6
125.09618	1.7
131.08559	4.6
133.10126	4.6
135.08060	1.0
135.11693	7.2
137.09605	3.5
137.13200	1.8
137.42906	0.9
143.08449	1.1
145.10097	4.7
147.11676	3.5
149.13214	4.0
151.11122	0.9
155.10672	3.7
159.11682	4.7
161.13231	2.8
163.14740	1.7
173.11745	24.0
173.13248	4.1
175.14838	1.0
184.07344	1.0
187.14786	2.3
211.27751	0.8
227.12772	4.2
229.14319	96.2
230.14737	1.7
243.21014	4.7
261.22110	15.3
299.23880	1.2
313.27316	2.1
317.24579	3.9
335.25754	67.0
336.25925	1.8
415.31931	1.6
466.18369	0.9
489.35739	35.0
490.35950	2.2
507.36838	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	686.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
53.85556	1.2
55.01856	1.5
55.05502	15.5
57.03423	13.3
57.03676	1.9
57.07074	2.8
59.04992	2.6
59.72070	1.3
61.02906	3.8
65.03928	3.6
67.05495	100.0
69.03406	3.9
69.07056	9.2
71.04978	3.1
71.08619	1.5
79.05477	19.9
81.03379	6.2
81.07047	42.8
83.04967	1.8
83.08612	10.4
85.02890	4.2
85.06525	3.4
86.09718	1.8
91.05466	18.8
93.07028	25.5
95.04955	2.7
95.08594	31.2
97.02882	3.2
97.06522	3.4
97.10133	1.9
105.07034	10.1
107.08570	17.3
109.10141	71.1
111.04462	1.4
111.08030	3.2
117.06979	5.2
117.07717	1.3
119.08566	12.1
120.99220	1.6
121.10131	14.3
123.11668	3.9
125.09645	2.5
127.03898	1.8
129.06950	1.6
131.08559	7.0
133.01410	1.3
133.10081	6.4
135.08046	1.5
135.11679	9.1
137.09575	2.7
143.08516	1.6
145.10133	4.6
147.11642	3.2
149.13214	3.7
155.10666	2.9
159.11703	4.0
163.14752	2.4
163.77115	1.3
173.11742	18.3
173.13223	3.8
184.07333	5.8
187.14771	2.7
227.12740	3.5
229.14322	81.6
230.14561	2.0
243.21042	3.7
261.22021	17.3
313.27356	2.5
314.27716	1.4
317.24774	3.7
335.25745	72.8
336.26050	2.3
397.30725	1.9
397.44620	1.5
487.86310	1.5
489.35687	58.7
490.35925	3.2
507.36261	2.0
540.93970	1.5
555.90704	1.5
687.40741	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	687.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	17.4
55.01854	13.2
55.05260	4.6
55.05500	40.8
57.03431	16.6
59.04974	3.5
61.01553	2.8
61.02910	6.5
65.03905	4.2
67.05495	76.7
69.03428	39.9
69.07050	31.0
70.28965	12.2
70.51389	2.7
71.04974	12.6
73.02887	4.3
79.05483	76.6
81.02939	5.1
81.03408	100.0
81.06605	5.3
81.07044	77.7
83.04974	27.5
83.08600	25.0
85.02882	28.1
85.06519	4.5
91.05457	84.0
93.07029	64.2
95.04939	44.3
95.08593	39.7
97.02879	21.8
97.06517	15.0
97.10143	10.2
99.04417	11.4
99.08073	4.3
103.05460	3.5
105.06344	5.0
105.07015	70.6
107.04941	20.6
107.08573	32.8
109.02877	22.4
109.06496	11.8
109.10142	14.9
111.04446	16.2
111.08042	10.2
113.05934	3.2
115.05411	6.5
117.06992	34.1
119.08559	57.5
121.06458	11.6
121.10134	21.1
123.04420	3.6
123.08039	6.9
123.11665	5.7
125.09605	9.2
127.03870	9.9
128.06195	9.5
129.05466	5.3
129.06976	33.0
131.08546	49.6
133.06493	8.0
133.10117	29.7
135.08022	10.8
135.11670	15.7
137.05963	5.0
137.09605	5.7
141.06947	15.0
142.07727	8.2
143.08572	31.0
144.09344	3.1
145.06441	9.9
145.10089	40.4
147.08034	10.0
147.11674	29.4
149.09573	11.8
149.13216	6.5
153.07033	5.0
155.08565	16.5
157.06456	4.0
157.10106	29.0
159.08026	9.0
159.11649	21.6
161.09631	6.0
161.13255	9.8
163.11124	9.0
165.06990	3.5
165.12755	5.4
166.07739	3.4
167.08522	12.4
168.09302	4.4
169.10118	20.3
171.08009	3.4
171.11696	21.7
173.04431	19.7
173.09598	6.7
173.13231	14.3
173.52522	3.0
175.11160	13.4
177.12755	5.2
178.07649	3.6
179.08534	6.8
181.06520	3.1
181.10135	16.5
181.12086	2.7
182.10641	2.9
183.08116	3.9
183.11624	17.6
185.09633	5.6
185.13229	11.5
187.11148	8.5
187.14821	6.2
189.11150	4.6
191.10623	7.3
193.10388	4.7
193.12221	29.9
194.10841	3.1
195.08134	3.3
195.11623	12.9
197.09624	4.2
197.13225	12.3
199.11211	5.6
199.14819	5.9
201.12592	4.2
207.11768	4.8
209.09615	3.0
209.13400	14.7
211.11284	7.2
211.13179	35.2
211.14871	4.5
219.11668	6.4
221.13112	3.6
223.14828	3.7
225.12639	5.5
225.16216	3.3
239.17920	4.4
257.18903	5.4
259.20477	10.6
265.29843	3.1
267.15866	13.7
271.20398	4.9
275.20023	6.0
277.14047	3.2
283.15268	4.7
283.20508	5.9
285.16959	10.7
299.20102	4.1
313.21500	4.4
321.22031	4.2
325.21664	5.6
325.53452	3.6
331.20432	3.4
333.24399	4.3
337.21387	6.1
339.23120	7.6
341.24713	3.3
349.21579	10.3
351.23181	6.6
367.22711	19.2
369.23907	5.6
385.23737	10.2
411.19965	3.2
423.25397	3.0
433.31052	6.5
441.26401	7.1
451.31934	4.6
459.27362	9.1
490.28772	4.8
499.32156	3.1
515.37347	5.9
523.33063	3.2
525.35626	44.8
526.35901	3.6
537.34857	3.7
541.34692	3.1
543.36633	13.2
544.73407	3.4
555.37140	3.2
567.36993	3.6
609.36859	3.8
633.37592	7.0
651.38843	20.9
669.39532	27.4
687.40869	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25864	2.2
53.03938	12.4
53.87830	2.2
54.33700	2.3
55.01868	15.5
55.05501	43.3
57.03424	18.3
57.07064	4.2
59.04963	2.3
61.02909	9.8
65.03921	9.0
67.05139	4.4
67.05493	83.8
67.75965	2.8
69.03417	37.3
69.07056	29.4
71.01335	4.1
71.04979	14.4
71.30409	6.4
73.02908	7.4
79.05477	79.8
81.03401	100.0
81.07037	83.1
83.04974	23.4
83.08607	27.2
85.02887	23.4
85.06525	4.8
91.03949	3.0
91.05464	81.6
93.07027	75.9
95.03835	2.3
95.04951	39.4
95.08592	46.9
97.02878	28.5
97.06512	16.4
97.10151	10.0
99.04436	6.5
101.02377	2.8
103.05455	7.1
105.06332	5.1
105.07014	69.6
107.04932	20.7
107.08578	45.8
109.02869	18.8
109.06501	16.4
109.10121	16.7
111.04447	13.5
111.08057	11.0
113.05988	3.2
115.05431	11.3
117.07000	36.0
119.04894	4.4
119.08550	56.0
121.06477	14.5
121.10114	27.4
123.04353	5.3
123.08065	10.0
123.11676	4.8
125.05963	2.8
125.09613	9.4
127.03887	10.1
128.06201	9.8
129.05392	3.2
129.06981	38.1
130.07771	3.5
131.04919	2.8
131.07619	4.6
131.08542	42.7
133.06467	11.0
133.10098	41.8
135.08023	11.7
135.11662	16.6
137.05885	3.1
137.09589	8.2
141.06961	13.5
142.07719	9.6
143.08551	29.5
145.06433	9.6
145.10091	40.9
147.04341	3.5
147.08028	8.6
147.11653	33.0
149.09595	10.6
149.13263	4.0
151.11089	3.4
153.06955	8.2
153.09114	3.6
153.12669	3.5
154.07739	3.1
155.08521	22.2
156.09319	3.4
157.06467	5.1
157.10095	29.6
159.08017	9.7
159.11674	22.8
161.05923	3.4
161.09592	6.8
161.13216	7.9
163.11122	7.4
165.06956	5.8
165.12709	5.8
167.08475	14.1
168.09323	3.3
169.10117	22.5
171.08038	7.3
171.11639	20.0
173.04437	13.6
173.09622	8.3
173.13210	11.0
175.11172	11.6
177.12695	5.2
178.07802	3.4
179.08446	6.1
179.14313	5.4
180.09334	3.7
181.10086	15.6
183.08015	4.6
183.11642	20.5
185.09618	7.1
185.13252	12.1
187.11136	3.6
187.14795	7.4
189.11227	3.0
189.12764	4.3
191.10608	4.4
193.10091	8.6
193.12225	29.3
195.08035	3.1
195.11664	17.3
195.13402	3.1
197.09543	4.3
197.13232	16.0
199.11139	7.1
199.14766	6.9
203.17940	2.8
205.10071	4.8
207.11713	8.8
209.09659	3.6
209.13303	12.2
211.11269	5.1
211.13239	28.4
211.14703	4.7
219.13608	3.3
221.13242	7.0
223.11203	5.9
223.14838	7.3
225.12659	5.5
227.12682	7.4
235.14812	2.9
237.12740	4.1
237.16388	3.6
239.14200	4.9
245.13293	2.8
257.18967	7.9
259.14966	2.8
259.20493	6.3
267.15921	9.5
271.20651	4.7
275.20013	16.0
285.16922	13.7
297.22107	2.8
299.20102	4.0
301.21536	3.7
307.20395	3.0
310.24921	2.7
313.21527	5.5
321.22101	4.9
325.21603	4.8
337.21539	6.3
339.18716	2.4
339.23056	6.5
349.21719	8.5
351.23099	3.6
355.22382	3.0
367.22452	14.2
369.24469	2.8
385.23456	8.8
403.24734	3.4
423.25113	4.2
433.31009	8.2
441.26199	5.4
451.32144	3.7
459.27267	5.6
469.32999	5.2
477.28339	4.1
507.34592	8.3
525.28400	3.2
525.35742	53.3
537.34979	4.5
538.80328	3.3
541.33984	3.1
543.36548	8.9
559.34943	4.8
560.33826	3.8
595.35773	4.4
609.37512	4.8
627.38672	3.8
633.37952	14.0
639.38617	3.6
651.38977	26.9
652.38721	2.8
669.39935	33.4
676.46490	3.0
687.41058	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	9.3
55.01861	12.1
55.05502	42.7
57.03430	14.0
57.07052	3.7
59.22038	2.0
61.02912	5.5
65.03923	4.8
67.05491	64.0
69.03418	40.3
69.06738	2.1
69.07053	22.2
70.14879	10.9
71.01360	3.0
71.04974	9.3
73.02910	4.6
79.05480	58.4
81.03404	100.0
81.07043	59.1
81.07418	1.1
81.07535	2.3
83.04965	25.1
83.08604	25.2
84.97495	2.4
85.02886	26.1
85.06573	3.8
91.03934	3.1
91.04921	4.4
91.05465	75.3
93.07029	56.2
95.04958	35.1
95.08594	42.6
97.02856	21.1
97.06522	9.0
97.10172	10.4
99.04420	9.6
99.08076	2.0
103.05436	2.3
105.04459	2.2
105.06324	4.2
105.07009	61.5
107.04927	15.9
107.08567	30.5
109.02866	17.4
109.06506	13.6
109.10127	19.4
110.49690	2.0
111.04440	13.2
111.08051	9.4
115.05451	8.6
117.06994	32.8
119.08564	48.3
121.06473	7.4
121.10126	24.6
123.04368	2.2
123.08055	8.5
123.11741	4.8
125.09630	7.1
127.03884	10.3
128.06187	10.4
129.05435	6.0
129.06967	25.9
129.19403	1.9
130.07782	3.5
131.04893	2.5
131.07643	3.8
131.08549	44.1
133.06467	7.6
133.10103	28.9
135.08037	7.4
135.11691	10.6
137.09572	3.3
141.06973	12.2
141.09090	2.1
142.07738	8.5
143.08531	29.3
145.06433	7.1
145.10106	33.6
147.08020	6.3
147.11658	28.2
149.09595	5.8
149.13266	5.1
151.07513	2.2
153.06967	5.2
153.09010	3.7
154.07817	2.4
155.08519	21.7
157.06453	4.7
157.10089	27.8
159.08034	5.0
159.11670	20.8
161.09598	5.4
161.13280	5.0
163.11124	6.4
165.07013	5.6
165.12723	4.1
167.08487	10.6
168.09290	3.2
169.10106	24.2
171.08026	6.2
171.11617	22.5
173.04456	17.6
173.09576	7.7
173.11870	2.4
173.13184	11.6
175.11171	13.2
177.12801	2.3
179.08578	5.9
180.09305	4.1
181.10054	15.0
181.12259	4.7
183.07965	3.3
183.11650	22.9
185.09584	7.0
185.13206	15.4
187.11227	3.6
187.14790	3.9
189.12706	2.3
191.10640	5.5
193.10161	5.6
193.12218	21.8
195.07961	3.6
195.11710	13.0
197.09596	3.6
197.13235	15.1
198.10368	2.1
199.05862	2.4
199.11140	8.0
199.14784	6.8
201.12749	3.9
205.10135	3.4
207.11649	6.4
209.09740	3.3
209.13219	11.2
211.11243	4.7
211.13185	29.5
211.14825	3.5
213.12709	5.8
215.14328	2.5
219.11597	5.6
221.13243	5.3
223.11116	3.7
223.14763	5.6
225.12746	4.2
225.16327	4.4
227.12636	4.8
227.17822	2.5
233.13290	5.4
236.56709	2.0
237.12633	3.5
239.14290	3.1
239.17877	3.5
257.18958	5.8
259.20520	8.2
263.17596	2.2
267.15936	7.4
269.19003	2.8
271.20468	3.4
275.20013	10.8
283.20462	3.0
285.16861	9.9
289.21667	2.6
295.16867	2.4
307.20694	3.1
311.20248	2.2
313.21500	3.4
321.22046	3.3
325.21582	4.7
327.23184	3.5
333.24820	2.3
337.21780	3.3
339.18289	2.9
339.22882	4.5
343.22272	2.3
345.24316	2.0
349.21561	6.4
351.23105	5.4
355.22531	2.9
367.22650	19.3
369.24313	3.4
385.23645	9.0
423.25250	2.4
423.32288	2.6
433.30991	6.0
441.26340	6.7
451.32068	6.6
459.27106	6.0
507.34555	4.4
515.36957	5.4
523.33423	3.1
525.35675	53.7
543.36267	10.8
567.36914	3.0
591.36755	2.7
633.37561	5.9
639.38611	3.0
651.38788	25.8
669.39819	29.0
687.29352	4.0
687.40912	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	12.6
55.01869	10.6
55.05503	31.6
56.99424	2.1
57.03423	6.6
57.07056	3.6
59.05000	2.1
65.03926	3.3
67.05494	57.5
69.03423	25.2
69.07055	20.4
71.04967	9.1
71.08629	3.3
79.05481	61.9
81.03407	70.9
81.07043	54.9
83.01331	3.3
83.04958	15.9
83.08606	12.4
85.02887	7.1
85.06548	3.2
91.05466	47.5
93.07021	59.0
95.04935	18.3
95.08598	39.1
97.02885	16.8
97.06528	12.4
97.10140	7.9
98.98433	2.1
99.04446	9.3
99.08080	4.4
105.07014	36.8
107.04936	11.1
107.08585	32.8
109.02857	13.5
109.06499	8.6
109.10139	14.5
111.04427	12.5
111.08057	4.3
117.06993	19.0
119.08546	27.5
121.06501	5.8
121.10127	23.8
123.08054	5.7
123.11710	4.7
125.09620	6.6
127.03906	13.9
129.06998	6.5
131.08540	18.2
133.06494	2.6
133.10097	16.6
135.08025	5.2
135.11676	20.3
137.05956	2.2
137.09613	3.5
139.11195	2.5
143.08540	7.7
145.06401	4.1
145.10112	22.0
147.11656	7.6
149.09601	4.2
149.13274	7.6
153.12692	12.2
154.07748	2.1
155.08527	4.7
157.10117	5.8
159.11697	11.3
161.13231	6.5
163.11169	23.9
167.08426	2.5
169.10147	2.8
171.11687	6.6
173.04536	3.6
173.09592	3.1
173.13242	4.5
175.11118	2.9
175.14806	3.1
177.12862	2.4
181.12251	9.4
183.11702	3.0
184.07349	3.9
185.13266	2.9
187.11211	2.4
187.14908	3.7
189.11206	3.5
191.10658	7.1
193.12253	2.5
199.14851	3.7
209.11775	6.3
227.12711	16.0
234.22133	2.0
257.19308	2.7
261.22107	5.5
269.15121	2.1
275.20123	6.8
277.21600	2.7
283.15463	5.6
307.00916	2.4
317.24789	3.9
335.14987	2.9
353.15939	18.4
369.24271	7.6
438.16229	2.2
461.28665	2.1
515.37543	3.6
525.36206	2.3
543.36725	4.6
610.92102	2.7
611.16486	3.0
627.28442	2.2
669.39917	3.5
687.40887	100.0
688.21045	2.5
688.41498	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	687.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	14.0
55.01854	8.1
55.05504	24.0
55.96096	2.8
57.03415	10.4
59.04987	3.1
65.03917	3.4
67.05497	68.8
69.03410	24.2
69.07056	14.2
71.04973	11.4
71.72229	3.1
79.05486	62.1
81.03409	81.6
81.06602	4.6
81.07049	59.5
82.07378	2.6
83.01330	3.1
83.04984	19.9
83.08607	11.2
85.02886	7.1
85.06521	4.4
88.79112	2.4
91.05464	45.7
92.05754	2.6
93.07035	73.1
94.07378	3.3
95.04953	14.4
95.08588	38.7
96.08939	2.7
97.02872	20.4
97.06512	8.3
97.10152	7.9
99.04431	9.5
103.50710	2.5
105.07008	38.2
107.04971	12.8
107.08578	34.3
109.02853	15.8
109.06519	7.7
109.10142	28.6
110.10526	4.0
110.85909	2.3
111.04443	12.7
111.08099	5.5
117.06998	18.0
119.04959	4.1
119.08568	22.3
121.06490	6.3
121.10136	26.5
123.08042	7.6
123.11697	5.7
125.09624	7.2
127.03880	14.6
129.07016	10.1
130.07762	3.4
130.85017	2.6
131.08549	12.9
133.10146	13.7
135.08038	5.3
135.11674	22.2
137.09596	3.4
143.08557	7.7
145.06480	2.8
145.10089	20.9
147.04405	3.7
147.08090	4.3
147.11650	7.4
149.09573	4.5
149.13213	5.7
151.11139	3.9
153.12758	9.6
157.10092	3.6
159.11690	10.4
161.13251	4.9
163.11176	20.7
165.05432	2.6
168.60329	2.7
171.11624	4.1
173.04390	4.5
173.09688	3.7
173.11809	2.7
173.13213	4.6
176.37497	2.6
181.12230	8.6
184.07378	3.7
185.13248	6.2
189.11244	3.4
189.12729	3.2
191.10678	6.7
195.11662	2.7
197.13226	3.7
209.11719	9.2
227.12666	19.0
229.14357	7.1
230.14584	3.4
261.22171	10.9
283.15350	8.0
301.21591	3.4
327.07751	3.2
335.25797	7.6
336.26215	8.8
351.23346	4.3
353.15839	18.5
369.24133	3.5
490.35834	7.6
515.37286	3.9
651.39667	3.4
669.39441	3.2
687.40833	100.0
688.41669	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	688.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47052	0.4
53.03928	1.1
55.01867	4.3
55.05502	7.9
57.03426	6.5
57.07059	0.5
59.04967	1.4
61.02883	1.4
65.03921	0.6
67.05495	10.6
69.03393	1.4
69.07050	2.7
70.07339	1.9
70.07757	0.7
71.01334	0.8
71.04970	2.7
73.02876	1.1
79.05482	13.4
81.03399	6.7
81.07043	13.7
82.07388	0.4
83.01331	3.9
83.04970	5.6
83.08185	0.5
83.08609	7.7
83.70044	0.4
85.02896	2.2
85.06495	0.9
91.03909	0.6
91.04929	0.6
91.05460	8.8
93.07030	22.1
95.04951	5.3
95.08022	0.9
95.08594	16.4
97.02885	3.6
97.06065	0.3
97.06521	3.9
97.10131	1.5
98.20717	0.6
98.58851	0.4
99.04469	2.5
103.05408	0.5
105.07008	7.5
107.04926	5.8
107.08577	13.9
109.02848	0.5
109.05955	0.4
109.06503	4.2
109.10139	2.0
109.12038	0.5
111.04443	2.2
111.08057	1.5
116.75178	0.4
117.06989	6.2
119.08559	7.4
121.06479	3.7
121.10126	7.5
123.08058	4.2
125.05969	2.0
125.09608	0.8
129.06960	1.2
130.07750	1.3
131.08569	2.3
133.10088	1.8
135.04358	0.5
135.08015	2.2
135.11670	21.9
137.09532	0.8
139.07500	0.9
143.08582	0.8
145.06438	0.8
145.10101	17.7
147.07948	1.2
147.11626	0.6
149.05972	0.5
149.09590	0.5
153.12697	1.5
155.08531	0.7
163.03868	1.4
163.11159	37.4
173.09570	2.2
181.12218	6.1
191.10672	1.5
205.54593	0.4
209.11661	4.6
223.41586	0.5
227.12738	29.4
267.15909	1.0
283.15356	100.0
284.15646	2.7
307.38657	0.5
468.94321	0.4
491.26324	70.3
492.26810	2.3
497.99084	0.5
571.51746	0.5
576.96783	0.6
636.64093	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01862	5.3
55.05499	9.0
57.03424	7.0
57.07075	0.5
59.04986	2.4
61.02909	2.4
67.05189	0.6
67.05491	7.2
69.03402	0.6
69.07050	2.2
69.74428	0.5
70.27670	2.7
71.01328	1.0
71.04978	3.0
73.02916	0.7
79.05476	12.2
81.03398	7.3
81.06610	0.7
81.07045	10.4
82.03751	0.5
83.01333	6.0
83.04964	8.2
83.08601	7.2
85.02888	4.9
87.40408	0.5
91.03937	0.8
91.05462	7.6
93.07030	14.0
95.04944	4.2
95.08595	4.8
97.02880	3.6
97.06510	2.5
97.10127	1.1
99.04444	2.3
101.02348	0.6
101.34358	0.6
102.38856	0.5
103.05432	0.7
105.07011	5.6
107.04928	5.6
107.08577	8.0
109.06489	4.4
109.10126	1.1
111.04409	1.6
111.08064	1.2
117.06995	4.6
119.08557	5.0
121.06479	2.2
121.10115	5.2
123.08049	7.3
125.05930	0.6
125.09602	0.6
126.76769	0.6
129.06982	1.4
130.07803	0.8
131.04872	0.7
131.08559	2.9
133.10106	1.6
135.08000	1.2
135.11681	8.3
137.09630	0.6
145.06465	1.0
145.10091	12.2
147.07994	1.1
153.12726	2.2
155.08572	1.3
163.09766	1.0
163.11151	18.9
173.09612	3.0
181.12241	2.2
191.10626	1.6
209.11690	5.7
222.88957	0.5
227.12759	3.2
230.88240	0.5
234.28928	0.5
283.15353	100.0
284.15729	3.3
368.39078	0.5
468.48013	0.5
491.26337	46.8
492.26657	1.9
551.06824	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.8
53.03934	9.6
53.04797	1.5
55.01858	4.5
55.05502	28.1
57.03428	16.9
58.68587	1.5
60.92080	1.5
61.02902	2.2
65.03936	3.2
67.05495	61.8
68.67715	1.5
69.03415	4.6
69.07064	12.8
69.67729	12.9
71.04971	6.4
73.06541	2.0
74.09677	1.7
79.05479	81.0
81.03403	60.7
81.07043	58.7
83.04961	21.0
83.08607	22.7
85.02890	20.1
85.06544	5.5
90.73192	1.6
91.05466	77.2
93.06436	3.7
93.07029	73.0
95.04953	39.9
95.08595	29.1
97.02853	3.7
97.06528	5.5
97.10152	5.0
105.04493	2.2
105.07016	51.7
107.04932	11.9
107.08581	23.0
109.06499	10.3
109.10124	5.8
111.04424	1.7
111.08041	11.4
113.05968	1.8
115.05388	2.6
116.84672	1.4
117.06968	7.7
119.08569	35.2
121.06489	2.7
121.09387	1.8
121.10133	10.6
123.08064	7.9
125.09644	2.3
127.07532	2.4
128.06209	3.9
129.06979	24.6
131.08549	12.7
133.06496	5.2
133.10098	17.4
135.08028	2.3
135.11682	2.2
142.07742	1.7
143.08539	8.4
145.10136	12.4
147.08015	6.0
147.11670	44.8
149.09613	5.7
154.76518	1.7
157.10130	10.9
161.09598	4.1
161.13239	11.7
163.11194	3.0
165.12741	3.6
171.11652	25.5
175.11174	9.1
189.12755	9.3
193.12187	28.3
207.13776	28.0
211.13258	36.3
249.14737	2.0
267.15860	37.2
281.17438	100.0
282.18164	2.2
283.15390	1.8
285.16934	29.6
391.41739	1.9
473.28946	83.9
474.28879	2.5
491.30029	89.2
492.30566	1.8
566.24487	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	689.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01867	1.0
55.05506	2.2
57.03415	1.1
57.07063	0.5
60.88197	0.5
61.02926	0.6
67.05502	6.8
69.03416	2.4
69.07051	1.6
70.96066	0.9
70.96398	0.7
71.04980	1.6
74.52771	0.4
77.47768	0.4
79.05489	5.3
81.03423	5.9
81.07052	6.8
82.07405	0.5
83.04968	1.7
83.08618	1.6
85.02946	1.0
91.05478	4.9
92.05783	0.5
93.07033	6.6
95.04946	2.9
95.08595	3.2
96.05263	0.4
97.02885	1.1
97.06530	1.2
105.07018	4.0
107.08576	2.5
108.08965	0.5
109.02892	1.2
109.06541	0.5
109.10162	1.2
111.04443	1.0
117.07008	1.6
117.25279	0.4
119.04999	0.4
119.08579	3.2
121.10142	2.1
123.04389	1.2
127.03934	0.4
129.06998	1.8
131.08546	2.1
133.06476	0.5
133.10085	2.5
135.11696	1.0
141.06967	0.6
143.08575	0.8
145.10135	2.1
147.08110	0.5
147.11685	1.6
149.09708	0.5
155.08498	0.5
157.10133	1.1
159.11685	1.6
161.13258	0.6
163.11145	0.7
169.10165	1.0
171.11710	0.8
173.04517	0.6
173.13361	0.5
175.11188	0.7
177.12724	0.6
183.11638	0.6
193.12282	0.7
199.14699	0.6
211.13287	0.8
235.13281	0.9
255.26585	0.4
259.20618	0.8
259.36438	0.5
267.15933	0.6
273.14941	0.5
273.18570	0.4
275.20200	0.9
276.20276	0.5
335.25934	1.3
384.12411	1.1
385.13669	1.1
397.13055	2.0
398.13718	6.8
399.14575	5.1
400.16321	6.2
401.16467	0.7
403.15244	0.5
411.14847	1.9
412.15277	9.8
413.16086	11.9
413.21295	0.9
414.16531	1.2
416.14771	2.4
418.17612	2.7
423.14157	0.6
425.16141	1.6
426.17297	3.8
427.17828	10.6
428.18643	14.4
429.19284	2.6
430.16556	1.1
439.13779	0.8
440.14310	1.1
440.19370	0.6
441.14709	3.5
443.13416	1.0
444.14322	1.9
445.18750	1.9
446.17166	1.5
453.16000	0.8
454.15799	0.8
455.17117	44.5
456.17670	6.5
457.14365	2.8
458.15933	7.1
459.16568	5.5
460.16660	0.6
468.18747	0.6
469.14291	2.7
471.16678	2.8
472.17404	2.6
473.18173	1.5
483.16614	35.4
484.16666	3.3
485.13968	1.0
486.19489	3.2
487.19608	6.0
488.16983	0.8
495.16626	2.2
497.18161	1.5
499.15320	0.8
501.17493	1.8
508.15201	0.5
509.18436	1.3
510.18881	0.5
513.17749	1.1
514.18127	0.6
515.18896	4.0
516.19952	1.9
523.16077	2.9
527.15094	7.6
527.37219	2.6
528.15417	0.7
537.17609	1.5
538.18127	1.7
541.20831	1.0
542.21741	0.9
555.18561	3.6
569.20306	2.6
570.20673	6.6
574.24255	14.2
587.21399	2.4
597.19720	0.9
601.22937	10.6
602.23682	100.0
603.23975	5.2
612.22241	0.9
629.22418	25.2
630.22815	3.8
633.25647	3.5
635.39783	0.7
643.23920	4.8
657.21826	16.2
658.22308	1.2
661.24945	4.8
671.40387	0.8
688.42053	0.7
689.24548	9.2
689.41882	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	689.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.3
53.03944	1.0
55.01863	0.5
55.05503	1.4
57.03420	1.0
61.02920	3.2
67.05495	4.2
69.03415	2.5
69.07063	1.0
69.98753	2.1
71.04972	0.5
73.02892	2.2
73.06538	0.4
79.05485	6.7
81.03419	1.6
81.07043	4.7
83.04986	1.2
83.08617	0.8
85.02901	2.8
91.03952	2.5
91.05463	5.5
93.07028	5.7
95.04961	1.7
95.08577	2.5
97.02879	2.5
97.06557	0.4
99.04446	0.6
101.02386	1.1
105.07006	4.2
107.04935	0.7
107.08571	1.8
109.02869	0.5
109.06533	0.8
113.06053	0.4
113.34743	0.4
115.03900	0.5
117.07003	1.2
119.08562	2.5
123.08057	0.5
127.03951	0.9
129.06970	2.1
131.08585	0.6
133.10130	1.2
143.08580	0.6
145.10158	1.0
147.11664	3.7
161.09633	0.6
161.13286	1.0
171.11714	2.1
179.02171	0.4
182.61093	0.3
189.12755	0.7
207.13933	0.4
243.08348	2.2
247.13084	2.7
281.17535	0.6
303.15823	1.0
307.39063	0.3
395.77786	0.3
465.20932	14.6
466.21347	1.1
527.29626	0.4
572.20264	0.4
603.88391	0.4
689.34961	100.0
690.35284	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	689.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94888	0.4
55.01849	0.5
55.05506	0.8
57.03423	0.5
61.16434	0.5
63.99385	0.5
67.05499	1.6
69.03400	0.6
69.07067	0.9
69.53461	4.6
69.53793	0.7
71.04996	1.0
79.05463	1.1
81.03397	1.4
81.07054	1.6
85.02888	2.2
85.06527	0.8
86.31064	0.5
91.05479	1.5
93.07037	1.8
95.04955	1.1
95.08602	1.4
97.02873	0.6
97.06512	2.1
105.07025	1.5
107.04964	0.7
107.08585	1.6
109.02898	0.5
109.06463	0.5
109.10178	1.0
119.08598	0.9
120.08114	0.6
121.06447	0.5
121.10136	1.0
122.09639	0.6
123.11740	0.7
125.09641	0.7
131.08498	0.5
133.10103	0.9
135.04396	0.6
137.05966	1.0
145.02856	0.7
145.10110	1.1
147.04451	0.8
149.09608	0.7
157.10112	0.5
159.11833	0.5
161.09569	0.7
163.03891	1.7
166.08699	0.7
173.13295	0.5
177.05479	0.5
181.10126	0.5
185.04185	4.6
190.19435	0.5
215.10739	0.6
233.11604	0.6
239.11966	0.6
243.11098	0.5
345.31113	0.5
347.18631	0.7
392.65262	0.5
410.90451	0.5
475.27100	0.6
527.22290	0.6
527.24359	0.6
527.33417	12.6
689.38599	100.0
690.38794	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	689.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
53.64827	1.1
55.01852	4.6
55.05501	18.0
56.14422	1.0
57.03413	1.5
57.07061	6.8
62.66781	0.9
67.05491	16.3
69.07059	18.8
71.04973	1.1
71.08604	5.4
78.50842	1.0
79.05482	18.7
81.03398	2.9
81.07043	13.4
83.04942	3.7
83.08606	14.5
85.06488	1.1
85.10148	1.1
87.24043	1.1
91.05466	13.6
93.07024	15.2
95.04965	6.5
95.08583	8.3
97.06538	2.1
97.10134	10.6
98.20727	2.1
98.98460	1.7
99.08062	1.3
105.07005	10.4
107.04922	2.0
107.08563	4.4
109.06522	2.2
109.10122	2.5
111.08085	1.5
111.11718	1.0
116.24983	0.9
117.07035	1.7
119.08558	5.5
121.06461	1.4
121.10104	4.1
129.06976	3.2
133.10115	2.3
134.98178	1.5
135.11652	2.8
143.08543	2.2
145.10074	1.0
147.07988	1.3
147.11678	7.3
161.13199	2.0
171.11638	4.0
184.07350	1.2
189.12674	1.7
207.13741	6.1
212.16788	1.1
237.22031	6.2
281.17487	1.6
294.16904	1.0
348.42325	1.0
380.98767	1.0
517.38794	100.0
518.39069	3.7
527.36902	2.2
561.79364	1.1
639.35834	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	689.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83211	1.9
53.03938	14.3
55.01864	10.3
55.05239	2.5
55.05506	32.7
57.03437	20.0
57.07052	5.4
61.02929	12.8
65.03918	3.4
67.05498	74.7
69.03423	26.5
69.07061	24.6
71.04968	12.8
71.71169	2.8
73.02906	7.1
74.37013	2.1
79.05486	67.3
80.05814	2.6
81.03410	93.1
81.07047	100.0
82.03716	2.6
82.07359	2.6
83.04965	20.4
83.08614	14.4
85.02890	19.9
85.06528	6.3
87.04465	1.9
89.06019	6.5
91.03942	5.5
91.05470	60.4
92.05810	3.2
93.07036	72.3
94.07358	2.6
95.04967	17.1
95.08597	52.8
97.02878	37.9
97.06514	7.6
97.10153	6.1
97.62465	1.9
99.04443	10.6
99.08057	2.8
103.03947	2.4
103.05465	2.9
105.07022	58.8
107.04941	6.5
107.08582	44.6
109.02856	11.9
109.06496	7.3
109.10164	17.3
111.04419	6.7
111.08083	5.5
114.22111	2.3
115.05433	4.1
117.07014	24.2
119.08574	46.0
121.06471	7.9
121.10127	32.3
123.08062	6.8
123.11674	6.8
125.09621	4.9
127.03887	13.9
128.06194	5.2
129.05464	8.6
129.06989	22.9
131.08557	33.0
133.06497	4.0
133.10112	29.4
135.08067	4.1
135.11674	15.7
137.09528	3.3
137.13213	3.1
141.06966	8.5
142.07747	3.9
143.08548	23.0
145.06448	4.6
145.10112	24.4
147.08052	4.8
147.11682	29.8
149.09637	7.2
149.13231	14.6
151.11119	2.7
155.08551	15.2
157.10114	24.0
159.08051	5.8
159.11684	21.7
161.13245	10.1
163.11171	4.3
163.14790	4.1
165.12747	11.1
167.08513	5.1
169.10100	15.8
171.11678	15.8
173.04453	12.8
173.09637	2.4
173.13187	14.8
175.11220	3.4
175.14798	5.8
177.12756	3.0
179.08490	2.6
181.10120	9.4
183.11665	13.7
184.07312	7.0
185.13243	11.7
187.11116	3.1
187.14828	6.4
193.09962	2.5
195.11661	7.1
195.13713	2.6
197.09691	4.7
197.13232	9.3
199.14836	7.6
199.16895	6.4
201.16309	3.4
209.13197	7.6
211.11198	2.1
211.14813	7.1
213.14720	2.9
213.16518	3.7
223.14818	4.7
225.12732	2.4
229.14226	2.4
235.14923	2.8
239.14391	2.5
241.19475	9.6
243.21013	3.9
257.19043	4.8
259.20496	14.8
261.19650	2.1
261.22076	10.7
267.15842	11.7
269.17358	10.7
271.20630	2.9
273.22348	2.5
275.20038	4.4
277.21652	2.4
285.16904	6.1
301.21603	6.9
309.22134	2.8
311.23685	2.6
313.21521	2.5
315.23141	3.6
327.22992	2.7
333.24252	11.8
335.25696	10.2
339.18301	3.1
339.22845	3.2
341.24472	2.3
349.21729	2.6
357.24579	2.4
367.22623	4.3
369.24310	4.1
411.20059	5.4
413.21655	5.8
417.31454	3.1
425.26883	2.3
435.32581	10.8
453.33527	5.5
459.27435	2.9
461.51190	2.1
471.34872	2.6
503.37180	4.7
509.36191	7.0
525.35449	3.9
527.37238	73.4
528.37347	5.5
543.36407	4.4
545.38013	8.6
617.38507	3.3
635.39014	6.6
653.39801	8.2
654.40369	2.6
671.41296	14.7
689.42566	53.0
690.42987	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	689.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.7
55.01848	5.4
55.05501	25.9
57.03426	13.3
57.07076	2.1
61.02916	13.2
65.03923	2.5
66.82429	1.4
67.05141	3.3
67.05492	59.6
69.03419	24.1
69.07059	19.0
70.83533	5.8
71.01280	1.9
71.04980	10.4
72.72012	1.6
73.02886	7.4
79.05023	1.9
79.05480	45.0
81.03406	67.6
81.07043	67.7
83.04967	18.1
83.08601	13.8
85.02898	15.1
85.06542	4.2
91.03947	7.8
91.04919	3.3
91.05464	43.7
93.07029	49.7
95.04959	9.5
95.07992	2.9
95.08588	42.7
97.02873	27.4
97.06509	7.9
97.10146	5.9
99.04440	6.0
99.08070	2.6
101.02348	2.2
103.05507	1.7
105.07014	41.8
107.04911	4.8
107.07900	2.8
107.08578	33.5
109.02835	8.3
109.06485	5.6
109.10131	16.1
111.04428	3.4
111.08060	3.8
115.05456	3.5
116.06268	1.9
117.07002	20.4
119.08565	33.5
121.06484	3.6
121.10125	23.9
123.04351	1.7
123.08054	5.4
123.11729	8.2
125.09598	3.4
127.03897	9.9
128.06206	4.2
129.05446	7.3
129.06972	19.3
131.08543	33.0
133.06427	4.6
133.10118	23.9
135.08032	3.9
135.11662	15.6
137.09595	2.4
139.11200	1.8
141.06947	7.5
142.07822	3.0
143.08537	25.2
145.06487	3.4
145.10100	27.8
147.11665	26.0
149.09590	3.7
149.13237	12.8
151.07529	1.8
154.07700	2.4
155.08522	11.4
156.09370	3.2
157.06392	1.8
157.10135	23.8
159.08012	3.1
159.11661	22.7
161.09590	3.5
161.13177	11.3
163.11200	2.3
163.14804	2.6
165.07002	2.4
165.12727	6.2
167.08536	6.6
169.10089	16.5
170.10623	1.5
171.08061	2.5
171.11681	21.4
173.04453	12.5
173.09628	2.5
173.13255	13.3
175.11192	2.8
175.14864	3.7
177.12727	2.9
179.08482	2.5
181.10159	7.5
183.11653	15.4
183.13234	1.9
183.13774	1.4
184.07326	3.8
185.09505	1.6
185.13290	10.7
185.14684	2.0
187.11160	2.8
187.14793	7.3
193.10045	2.6
195.11642	8.1
195.13640	2.5
197.09569	2.1
197.13190	11.3
199.14772	7.4
201.16441	2.6
207.11642	5.1
209.13208	7.4
211.11266	2.5
211.14807	5.4
213.12773	1.7
213.16422	4.0
221.13139	5.2
223.14778	5.3
225.16359	3.4
227.14322	3.4
227.17958	2.8
235.14825	2.8
237.16270	3.5
241.19458	4.5
251.17854	1.9
253.15697	2.7
257.18906	3.5
259.20569	7.6
261.22119	4.3
265.19736	2.1
267.15799	9.2
269.17462	5.6
273.22052	1.9
283.20474	2.8
285.16940	2.4
301.21606	4.7
307.20230	2.0
311.23657	2.5
315.23151	2.7
321.22006	1.6
325.21646	3.6
333.24106	6.9
335.25604	4.7
337.25165	1.7
349.21411	2.7
367.22287	1.8
385.23712	3.2
413.21472	3.4
417.31436	2.1
425.34100	2.0
433.29654	1.8
435.32632	11.2
453.33554	8.6
456.18100	1.8
471.34674	3.3
483.16455	2.5
491.35156	1.7
501.36057	2.6
509.36224	9.4
515.36780	2.1
517.38373	3.7
525.35193	5.5
527.37262	100.0
528.37531	7.2
529.38391	3.6
539.37378	3.3
543.36127	2.4
545.38348	8.9
561.34741	2.1
569.38110	3.2
571.22443	2.3
593.37616	2.3
602.23517	2.4
635.38959	4.4
641.24005	2.0
653.39954	7.7
671.41058	10.4
671.50647	1.7
689.24231	2.3
689.42596	41.2
689.54358	2.8
690.42615	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.6
55.01852	5.3
55.05262	3.2
55.05503	22.3
57.03434	11.6
57.07081	2.5
59.00366	1.6
61.02914	11.7
65.03930	3.8
67.05499	59.0
67.78186	1.8
69.03419	23.8
69.07059	22.0
69.41129	20.1
71.01364	1.5
71.04977	8.9
73.02905	4.9
77.03918	2.2
79.05478	52.3
79.05927	3.3
81.03404	63.4
81.07043	71.4
83.04967	16.1
83.08605	11.5
85.02899	13.8
85.06524	4.2
87.60807	1.6
91.03956	3.7
91.05468	44.8
93.07034	48.2
95.04939	9.7
95.08592	40.3
97.02884	24.2
97.06513	7.3
97.10167	5.3
98.21467	3.4
99.04450	8.8
99.08069	3.6
105.07017	44.2
106.07389	1.9
107.04945	3.5
107.08583	30.3
109.02859	9.9
109.06499	6.0
109.10146	10.5
111.04425	5.8
111.08070	3.9
115.05451	3.0
117.07008	22.0
119.08572	32.4
121.06509	3.0
121.10117	21.5
123.04440	2.1
123.08060	4.8
123.11684	8.8
127.03910	11.9
128.06238	5.0
129.05452	6.9
129.06976	19.1
131.08543	31.7
133.06548	2.2
133.10109	21.1
135.08076	3.2
135.11661	13.3
141.06967	5.7
142.07784	4.9
143.08528	19.6
145.06451	2.7
145.10086	26.3
147.07977	2.0
147.11665	24.9
149.09671	2.4
149.13235	9.0
151.11136	3.2
154.07764	2.8
155.08546	12.1
156.09435	2.8
157.10110	18.0
159.08070	2.5
159.11678	22.5
161.13249	8.1
161.97104	1.5
163.11150	1.8
165.12776	5.4
166.07651	1.7
167.08546	6.3
168.09315	2.1
169.10062	13.7
171.08018	2.3
171.11652	17.6
173.04433	14.4
173.09532	2.4
173.13206	12.5
175.11226	3.1
175.14821	5.0
177.12767	3.6
178.07765	2.1
179.08566	2.0
179.14238	1.9
181.10081	10.1
182.10754	2.2
183.11676	12.6
184.07353	2.0
185.13203	10.9
187.11183	3.1
187.14827	4.8
193.10139	3.9
195.11662	8.4
195.13770	2.2
197.13243	10.0
199.06050	4.3
199.11151	3.6
199.14830	6.7
201.16267	2.4
207.11694	2.8
209.13261	7.4
211.11156	2.2
211.14832	6.6
213.12764	2.9
213.16440	2.5
215.17987	1.9
221.13268	2.3
223.14825	6.9
225.16306	3.0
235.14934	2.8
237.16487	3.9
239.17935	2.0
241.19592	3.3
243.21088	2.1
249.16302	1.9
253.19533	1.9
259.20630	10.8
261.22104	5.7
263.17920	2.6
267.15897	7.5
268.74506	1.7
269.17395	2.8
275.19922	2.2
285.16974	2.5
299.20026	2.7
301.22034	2.6
309.22290	2.4
313.21729	2.2
333.24170	6.0
335.25739	7.0
339.23169	2.3
351.23007	2.5
367.22534	3.1
393.26566	2.0
411.19727	2.1
413.21866	2.6
417.31409	5.6
435.32715	9.1
453.33508	6.7
471.34225	3.6
499.45685	1.8
501.35406	2.5
509.36426	9.0
511.36581	2.1
517.38635	3.5
525.35706	5.7
527.37244	100.0
528.37354	5.5
543.36383	2.2
545.38184	8.6
569.38385	2.5
593.38483	1.9
611.39819	2.2
623.39807	2.6
635.38751	6.6
653.40070	7.3
671.41272	8.8
689.31549	2.8
689.42462	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	15.4
55.01866	11.7
55.05507	36.2
57.03431	13.3
57.07061	5.0
61.02910	10.1
65.03925	6.2
67.05497	85.1
68.05811	2.4
69.03418	32.4
69.07063	23.8
71.01342	3.7
71.04971	10.3
71.08632	3.1
71.70880	4.2
73.02903	7.5
78.75210	2.3
79.05486	70.9
81.03406	72.5
81.07044	94.9
83.04972	21.3
83.08610	15.0
85.02897	17.5
85.06522	4.7
91.03938	3.5
91.05472	68.5
93.07031	75.8
95.04952	21.4
95.08595	52.7
97.02882	32.3
97.06502	12.0
97.10138	6.7
99.04431	8.8
99.08063	3.9
105.07017	57.6
107.04942	9.4
107.08585	40.2
109.02853	10.8
109.06493	8.4
109.10124	19.9
111.04420	5.1
111.08068	4.1
115.05426	4.4
115.44240	2.5
117.06993	27.4
119.08555	37.5
121.06447	5.9
121.10138	22.7
123.08030	7.9
123.11672	8.6
125.09579	7.2
127.03883	14.1
128.06197	6.4
129.05443	6.1
129.06987	29.8
130.07721	3.3
131.04900	2.3
131.08556	37.9
131.30663	2.6
133.06427	3.6
133.10107	23.3
135.08023	5.6
135.11720	15.0
141.06973	8.3
142.07741	5.6
143.08537	22.1
145.06480	3.9
145.10121	29.0
147.07996	5.1
147.11682	23.6
149.09612	2.8
149.13240	8.8
151.11147	4.3
153.52773	2.4
155.08511	13.8
156.09326	3.0
157.06476	3.2
157.10077	22.0
159.11687	18.2
161.09586	4.1
161.13199	7.5
163.11205	5.1
165.12697	7.7
167.08536	9.3
169.10092	17.2
171.11690	19.2
172.72342	2.2
173.04448	14.0
173.09598	2.7
173.13246	14.6
175.14798	4.3
177.12741	4.6
179.14241	8.0
181.10083	10.0
183.11671	13.6
184.07323	7.2
185.13239	13.1
187.11078	3.0
187.14793	3.9
193.10022	4.1
195.11641	8.0
197.13226	7.9
199.11206	2.3
199.14845	5.0
207.11597	4.7
209.13214	6.9
211.14775	5.7
213.16362	3.4
221.13290	2.8
223.14839	5.8
235.14748	3.3
235.16951	3.0
241.19418	3.1
257.18796	2.9
259.20618	7.3
261.22025	4.3
267.15881	7.8
269.17365	5.8
271.20416	2.8
273.18521	3.0
277.21567	5.4
285.16916	2.5
333.24359	3.6
335.25656	5.8
339.23044	3.2
369.24622	2.7
379.13223	2.5
386.03052	2.9
398.14072	3.1
399.15036	3.2
400.15335	4.2
413.15903	3.7
413.21313	5.0
414.16327	2.7
417.31448	3.1
428.18277	4.0
435.32495	10.6
453.33490	3.9
455.16885	6.7
456.17816	2.8
471.34863	4.4
483.16583	4.0
484.16400	2.9
500.15765	2.7
509.36230	9.2
517.38800	5.8
525.35321	4.7
527.15662	4.2
527.37292	100.0
528.37708	11.7
543.36224	3.1
545.38135	9.9
551.36816	3.4
569.38055	5.0
571.21918	14.1
597.35217	3.1
602.23199	4.8
629.21796	4.3
630.22949	3.0
635.38837	3.0
653.40082	5.4
657.21368	5.0
658.21594	4.5
671.41052	8.2
689.42267	44.7
694.20459	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	1.3
53.03941	11.6
53.04158	2.1
55.01864	8.1
55.05503	31.2
57.03432	15.1
57.07063	5.0
61.02908	11.8
65.03922	3.6
66.73274	1.3
67.05493	74.4
69.03420	27.5
69.07062	26.1
69.70961	6.4
69.71372	2.7
71.04978	13.2
73.02906	7.2
73.71461	1.4
79.05482	55.7
81.03403	89.1
81.07043	87.7
83.04969	20.5
83.08604	14.0
85.02897	18.9
85.06546	3.1
91.03938	6.1
91.05465	54.3
93.07033	70.4
94.07384	2.4
94.52681	1.4
95.04960	15.7
95.08592	50.5
95.09196	2.8
97.02876	39.9
97.06521	11.0
97.10132	6.6
99.04437	13.6
99.08102	1.9
101.02398	3.2
101.05999	1.6
103.05405	2.0
105.07012	54.4
105.68550	1.3
107.04943	6.5
107.08577	36.3
108.12662	1.3
109.02867	13.4
109.06518	6.4
109.10144	18.1
111.04433	5.7
111.08082	3.9
115.03995	1.4
115.05459	3.7
117.06998	21.0
119.08558	39.8
121.06491	4.5
121.10126	30.4
123.08052	6.5
123.11701	10.7
125.09648	3.0
127.03887	15.2
127.07558	1.9
128.06236	5.7
129.05479	12.1
129.06989	18.6
130.07834	2.9
131.08540	38.8
131.09448	2.4
133.06439	2.1
133.10107	25.3
135.00842	1.4
135.08063	5.3
135.11673	18.1
136.08347	1.3
137.09619	3.8
137.13228	2.0
141.06912	7.9
141.09059	1.4
142.07753	3.2
143.08545	20.4
145.06502	3.3
145.10112	29.6
146.10425	2.2
147.08046	5.5
147.11671	34.9
149.09612	3.8
149.13252	12.2
151.11157	2.9
153.06987	1.9
155.08578	11.9
157.10088	24.5
157.11224	2.2
159.08054	3.3
159.11665	23.9
161.09567	2.1
161.13226	12.6
163.11195	4.0
163.14778	3.1
165.06982	2.9
165.12735	10.1
167.08508	6.8
169.10100	14.5
170.10930	1.8
171.08057	1.9
171.11664	18.4
173.04439	20.6
173.09645	3.1
173.13258	14.6
175.11194	2.5
175.14830	4.5
177.12769	3.7
179.08620	3.6
179.14394	1.6
181.10085	9.2
182.10960	2.0
183.11702	13.7
183.13556	2.4
184.07306	4.3
185.09624	2.3
185.13246	14.7
187.11102	3.1
187.14876	5.1
189.12749	1.9
189.16377	1.8
193.10164	3.4
193.12184	1.5
194.10762	1.5
195.11729	10.1
195.13850	3.9
197.13188	12.2
199.11166	2.4
199.14752	9.8
201.12679	2.4
201.16365	2.0
205.10146	2.0
205.12219	1.6
207.11757	2.9
209.13310	5.0
211.11118	2.0
211.14890	5.6
213.12767	2.9
213.14598	1.8
213.16403	4.1
215.14529	1.7
215.17940	2.5
219.11768	2.1
221.13269	4.9
223.11319	1.4
223.14908	5.2
225.16415	2.8
227.14380	1.9
227.18181	1.9
231.13776	1.7
231.21164	2.0
233.15363	1.6
235.14897	4.2
237.12813	1.8
237.16418	1.6
239.14265	2.3
239.17986	3.3
241.19611	6.8
243.21196	2.0
251.17969	2.6
257.19116	3.6
259.20505	16.3
261.22079	9.7
267.15799	16.0
269.17276	7.9
271.20663	3.4
273.18384	1.9
273.22107	1.6
275.19968	2.6
277.21527	2.6
283.20724	2.8
285.17032	5.5
287.20044	1.8
295.20587	2.8
297.22235	2.0
299.19760	1.5
301.21625	3.8
309.22147	2.3
311.23697	1.9
313.21484	2.5
315.23169	2.5
317.24792	2.1
323.23547	2.4
325.25281	2.0
333.24380	9.6
335.25870	10.5
337.16254	1.7
339.18222	2.0
339.23190	1.8
341.24860	3.3
343.02197	1.4
343.22705	2.3
367.22705	3.9
369.24298	3.5
385.23862	2.6
387.25195	2.2
403.25201	1.6
411.20084	4.8
413.21759	5.7
417.31409	3.1
419.27997	2.0
433.30618	1.6
435.32684	13.8
453.33493	6.5
471.34793	6.0
482.22092	1.7
491.35205	1.8
503.36911	3.4
509.36145	8.3
517.38971	3.3
525.35577	5.0
527.37244	100.0
528.37933	7.4
529.39374	2.5
539.37494	3.5
543.36615	2.7
545.38538	12.9
567.37518	2.1
569.38593	3.4
579.36902	1.7
611.39374	2.2
628.89838	2.2
635.39502	6.2
653.39856	7.1
671.41461	14.8
689.42468	63.6
690.42340	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72363	1.4
53.03941	10.9
55.01854	4.8
55.05503	27.5
57.03432	14.2
57.07059	3.8
57.45246	1.6
61.02912	14.7
65.03932	2.8
67.05135	3.1
67.05492	62.8
69.03418	20.8
69.07059	19.1
71.01351	2.8
71.04980	11.2
71.15902	4.7
73.02912	8.6
78.37270	1.5
79.05481	47.6
81.02931	3.5
81.03403	48.4
81.07041	66.0
83.04961	13.9
83.08601	16.1
85.02882	13.6
85.06526	5.3
91.03928	5.4
91.05463	45.8
93.07030	54.2
95.04949	12.2
95.08587	37.0
97.02879	27.5
97.06497	7.9
97.10156	4.8
99.04441	7.2
101.02353	2.8
103.03915	1.6
105.07014	44.4
107.04956	3.8
107.08567	29.0
109.02876	8.2
109.06503	4.0
109.10130	15.9
111.04433	4.0
111.08062	5.4
115.05451	3.8
117.07004	22.5
119.08563	38.9
121.06521	3.9
121.10134	21.6
123.08009	3.4
123.11689	11.0
125.09638	3.4
127.03899	12.0
128.06203	6.3
129.05437	6.4
129.06981	22.3
131.08540	34.9
133.06502	3.1
133.10103	20.1
133.23122	1.8
135.08054	2.4
135.11662	11.0
135.82527	1.6
137.09590	2.5
141.06972	4.6
142.07716	4.4
143.08543	25.5
145.04984	1.7
145.06461	3.1
145.10106	23.9
147.08020	3.2
147.11641	23.9
149.13252	9.3
153.06894	2.4
154.07744	2.1
155.08537	16.2
157.10109	20.6
159.08003	2.0
159.11676	22.9
161.13206	9.9
163.11215	2.6
163.14766	3.0
165.12694	7.1
167.08595	5.9
169.10118	17.2
171.08006	2.2
171.11642	22.4
173.04433	7.3
173.09540	1.9
173.13251	9.8
175.11111	2.3
175.14801	4.6
177.12694	2.8
179.08495	3.0
180.09351	2.3
181.10016	8.4
183.11676	15.7
185.13225	14.7
187.14810	5.3
189.12749	2.9
193.10139	2.7
193.12201	1.9
195.11679	10.7
195.13409	2.1
197.13228	9.4
199.14816	7.2
201.12759	1.8
203.14293	1.9
207.11739	2.9
209.13182	8.8
211.13077	2.0
211.14828	7.2
213.16356	2.8
215.18069	1.8
221.13226	3.0
223.14777	5.8
225.16420	2.7
235.14894	3.0
237.16406	2.2
239.17851	2.6
241.19434	3.8
243.21230	2.2
251.17770	2.3
253.19554	2.0
257.19183	2.3
259.20569	11.1
261.16309	1.9
261.22229	3.2
263.17947	1.8
267.15848	5.0
269.17468	7.4
271.20554	3.6
275.20209	2.6
283.20645	2.3
285.16800	3.0
293.19040	1.6
297.22076	1.9
299.19864	2.4
309.21927	2.1
311.23889	2.7
323.23499	2.2
325.21628	1.7
333.24503	8.2
335.25897	4.4
339.22876	1.9
351.22968	3.0
353.24722	2.4
367.22501	3.0
369.24255	2.6
372.04367	1.7
385.23853	3.3
411.19986	3.0
413.21713	4.0
417.31528	3.4
435.32581	10.4
453.33524	7.4
487.35022	1.7
491.34933	2.3
509.35825	9.8
512.19751	1.7
517.38770	2.5
525.35425	6.1
527.37262	100.0
528.37292	5.9
529.38940	2.8
539.37146	2.9
541.38361	1.6
543.36115	2.2
545.38263	6.5
569.37823	5.4
617.37982	1.8
635.39044	3.5
639.24109	6.6
653.40393	7.4
671.41644	11.7
689.31360	3.2
689.42444	38.5
690.42841	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.8
55.01855	2.2
55.05504	7.7
57.03421	3.0
57.07061	1.2
60.08158	6.6
60.70615	0.7
61.02908	2.7
64.74677	0.6
65.03938	1.0
67.05497	15.4
69.03429	6.2
69.07057	6.3
69.89320	0.6
71.04974	3.2
71.07354	3.1
73.02888	2.0
78.63336	0.7
79.05479	12.1
81.03407	15.6
81.07043	18.9
83.04962	3.9
83.08601	4.5
84.57954	0.7
85.02908	4.7
85.06551	1.0
86.09692	29.1
87.04430	1.4
87.10017	3.0
87.59042	0.7
91.03941	1.8
91.05470	12.2
93.06503	1.2
93.07034	12.1
95.04969	3.5
95.08591	13.6
97.02868	6.3
97.06514	1.9
97.10146	1.9
98.98474	4.8
99.04439	2.4
99.08062	1.0
99.24938	0.7
103.05425	0.8
104.10715	2.1
105.07017	9.5
107.04910	0.8
107.08580	7.7
109.02853	2.0
109.06502	1.2
109.10151	4.9
111.04404	1.2
111.08031	0.8
117.07005	5.2
119.08560	9.4
121.06479	1.1
121.10132	5.7
123.08051	1.3
123.11681	1.7
124.99990	18.8
125.09611	0.9
126.00320	1.3
127.03888	3.6
128.06226	1.2
129.05443	2.1
129.06970	4.7
131.08539	8.2
133.10120	7.1
135.08043	1.6
135.11665	2.4
141.06987	2.2
142.07721	0.8
143.08548	7.3
145.10109	7.0
147.07968	0.7
147.11658	5.6
149.09564	0.9
149.13252	2.8
155.08530	4.4
157.10141	5.6
159.08087	1.2
159.11687	5.9
161.13257	1.8
163.11136	1.0
163.14867	1.0
165.12680	1.0
167.08510	1.9
169.10156	5.2
171.11674	5.4
173.04456	4.9
173.09734	0.9
173.13216	2.9
179.08559	1.0
181.10103	2.8
183.11664	4.2
184.07318	100.0
185.07658	14.7
185.13208	3.5
187.14859	1.4
193.10107	1.1
195.11699	2.6
195.13495	0.9
197.13231	4.3
199.14780	1.8
207.11613	1.0
209.13223	1.6
211.14848	1.3
213.16351	0.9
221.13248	1.4
223.14745	0.9
225.16417	1.3
235.14713	0.9
237.16560	1.0
259.20636	1.8
261.22021	0.7
267.15829	2.2
269.17404	1.0
276.23883	0.6
295.20465	0.7
299.24106	0.8
301.21405	0.9
309.22025	0.8
335.25879	1.8
339.23276	0.8
417.31128	1.5
435.32748	3.6
453.33453	2.1
471.34314	1.5
501.35910	0.8
509.36087	2.5
517.39343	1.5
525.35077	1.0
527.37244	28.8
528.37756	1.8
545.38055	3.1
550.93207	0.8
569.38336	1.2
591.43646	2.5
653.39972	1.2
671.40942	2.7
689.42310	15.2
690.42896	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.1
55.01862	5.4
55.05506	13.7
57.03428	13.5
59.04981	1.4
61.02903	1.8
65.03917	1.2
67.05132	1.2
67.05492	19.7
69.03419	2.9
69.07053	7.0
70.96153	1.9
71.04988	4.3
73.02909	1.8
74.57056	0.5
77.03957	0.8
79.05483	25.2
81.03407	37.6
81.07043	27.6
83.01346	1.3
83.04505	0.9
83.04971	11.5
83.08609	18.2
85.02890	17.0
85.06529	1.9
85.79897	0.5
89.05998	0.6
91.03970	1.0
91.05025	0.4
91.05464	19.9
93.07028	32.5
95.04956	21.3
95.08591	25.5
97.02887	5.2
97.06516	5.4
97.10156	3.0
99.04433	3.1
99.08102	0.7
105.07011	16.9
107.04933	10.2
107.08578	23.5
109.06502	5.1
109.10135	3.1
111.04429	3.3
111.08070	5.7
113.05988	2.3
117.07003	7.2
119.08563	17.4
121.06492	5.6
121.10132	13.5
123.08070	3.2
123.60624	0.6
125.05975	2.8
125.09618	0.8
127.03877	1.5
129.06998	6.8
130.07793	1.3
131.08554	7.4
133.06499	1.9
133.10121	9.1
135.08040	2.0
135.11674	28.1
137.09639	1.0
138.54245	0.6
139.07515	1.7
142.07767	1.6
143.08566	0.7
145.10101	21.2
147.08052	1.8
147.11665	9.3
148.17902	0.7
149.09595	3.5
151.07353	0.6
151.11337	0.7
153.12692	1.4
157.10141	7.8
163.03935	1.1
163.11162	40.3
164.06911	1.0
164.11517	0.8
165.12750	1.4
173.09586	1.1
175.11171	8.4
181.12195	5.5
184.07341	1.1
191.10773	1.0
193.12210	23.0
209.11661	3.1
211.13266	36.2
214.18007	0.7
220.13251	1.2
227.12747	48.1
228.13104	1.4
267.15900	24.1
283.15366	63.5
284.15677	1.4
285.16922	45.9
286.17294	0.6
383.21881	1.0
457.25922	1.8
475.26865	25.8
493.27899	100.0
494.28204	3.1
550.49341	0.7
690.38708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.01862	6.0
55.05503	16.5
57.03427	12.6
59.04989	2.0
61.02901	3.9
65.03943	1.5
66.24541	0.9
67.05495	18.2
69.03412	3.7
69.07056	5.6
71.04978	4.7
71.43763	1.7
73.02888	1.3
79.05485	23.9
81.03407	48.6
81.07043	26.9
83.01347	6.1
83.04506	1.3
83.04971	15.7
83.08607	21.8
85.02897	17.1
85.06525	2.0
91.03926	1.9
91.04922	1.4
91.05467	26.5
93.07029	21.6
95.04952	24.6
95.08591	10.1
97.02895	5.3
97.06503	3.9
97.10149	3.3
99.04449	2.2
99.08073	1.0
105.07022	18.4
107.04944	8.6
107.08575	11.0
109.06505	7.6
109.10137	2.6
111.04422	2.8
111.08078	6.0
113.05963	1.9
115.05482	1.8
117.07008	5.1
119.08570	20.2
121.06498	2.3
121.10122	9.2
123.08043	6.4
123.11641	1.1
125.09689	1.8
129.07001	7.4
131.08557	7.9
133.06512	1.0
133.10120	6.9
135.08025	1.8
135.11684	6.5
137.09595	2.9
142.07765	1.1
145.10089	11.5
147.07999	3.5
147.11684	9.1
149.09612	2.8
151.11237	1.1
153.12712	2.2
157.10083	8.0
163.11154	14.9
165.12775	1.7
173.09610	2.0
175.11180	11.2
181.12198	2.6
191.10658	2.5
193.12215	26.7
193.14005	1.4
209.11642	5.5
211.13268	53.8
212.13496	1.3
218.50540	0.9
227.12810	4.0
265.14291	1.3
267.15869	11.8
283.15353	54.0
284.15607	1.6
285.16928	37.2
383.22000	3.1
401.23361	1.3
457.25714	3.5
475.26901	15.9
493.27896	100.0
494.28040	5.0
677.03326	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
55.01863	0.4
55.05490	0.5
57.03429	1.2
67.05498	0.3
69.03421	2.1
69.07046	0.8
69.71356	1.8
71.01316	0.3
71.04613	0.3
71.04980	5.7
73.02861	0.2
79.05478	1.0
81.03397	1.0
81.07047	1.3
82.32482	0.2
83.04945	0.7
85.02889	8.0
85.06529	0.3
89.03885	3.3
91.05458	0.4
93.07014	0.6
95.04932	0.4
95.08582	0.6
97.02881	4.9
97.06488	0.7
98.21365	0.4
98.56625	0.2
99.04421	0.7
103.05457	0.5
105.07001	0.8
107.04948	1.4
109.02873	0.6
109.10079	0.3
111.04440	0.5
115.05441	0.8
117.03358	4.2
117.06980	0.3
119.04882	0.3
119.08617	0.3
120.96330	0.3
121.06445	0.3
123.04388	0.8
127.03899	0.6
128.06184	0.4
129.05492	1.4
129.06961	1.5
131.04907	0.8
131.08533	0.3
135.04396	11.1
136.07545	0.7
137.05916	1.7
141.06949	0.3
142.07764	1.9
145.02824	10.4
145.06454	0.4
145.10052	0.3
146.03151	0.7
147.04375	0.9
147.06403	0.3
147.08054	0.4
149.05948	2.2
157.06468	0.6
157.10141	2.0
159.07991	0.4
161.05943	2.2
163.03876	100.0
164.04214	1.8
164.07053	0.9
165.05415	0.9
170.07251	0.7
173.05977	0.3
174.06757	0.9
175.07552	1.6
177.05446	4.9
178.05818	2.1
181.04922	1.6
185.09596	1.0
186.05408	0.3
193.08586	1.1
203.10641	14.9
204.10948	0.5
205.12209	2.6
215.10640	0.5
217.12244	0.5
220.10930	0.2
221.11682	3.6
227.10582	0.4
231.10077	0.4
233.11670	0.7
234.11842	0.3
243.95650	0.3
245.11745	0.7
307.08075	1.0
313.14227	0.6
325.09106	12.1
330.17758	0.3
331.15372	0.5
339.10458	0.5
340.11172	0.3
349.16412	0.7
643.99121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62003	0.3
53.03918	0.4
55.01852	0.7
55.05496	1.0
57.03416	1.4
59.63924	0.3
61.76861	0.3
62.08060	0.3
67.05479	1.1
69.03408	2.2
69.07048	1.7
70.06577	0.8
71.04613	0.6
71.04977	6.6
71.70770	0.8
73.02895	0.5
79.05496	1.7
81.03419	1.8
81.07027	1.5
83.04969	1.0
83.08582	0.6
85.02893	8.5
85.06531	0.5
86.09679	0.4
87.04454	0.6
89.03916	2.9
89.67819	0.3
91.05475	1.8
93.07010	1.2
94.06550	0.8
94.07290	0.5
94.54417	0.3
95.04947	1.1
95.08525	0.8
97.02883	4.6
97.06535	2.2
98.06815	0.3
99.04427	0.7
103.05465	0.4
105.07007	1.3
107.04930	1.2
107.08564	1.2
109.02856	0.6
109.06492	0.6
109.10123	0.7
111.04401	1.2
117.03373	4.4
117.06957	0.5
119.04912	0.6
119.08553	0.6
120.08104	0.8
121.06498	0.9
121.10098	1.3
123.04429	0.6
123.11649	0.5
127.03895	0.9
129.05464	2.2
129.06973	1.4
129.92444	0.4
131.04890	1.2
131.08553	0.5
133.06483	0.4
133.10115	0.5
135.04388	12.4
135.11642	0.4
136.07533	0.8
137.05989	2.1
138.06320	0.4
141.06979	0.7
142.07745	1.6
145.02824	9.2
145.04774	0.4
145.06508	0.7
145.10098	0.6
147.04372	1.1
147.06462	0.7
147.11752	0.3
149.06023	1.9
149.09520	0.3
151.03891	0.5
152.07031	0.5
156.01024	0.6
157.06485	0.7
157.10091	1.7
161.05934	1.5
163.03876	100.0
164.04204	2.0
165.05400	0.8
166.08598	1.0
167.07080	0.4
167.08591	0.5
170.07213	0.6
172.03925	0.9
174.02144	0.5
174.06693	1.1
175.07510	1.3
175.14943	0.4
177.05408	0.7
181.04918	1.7
184.07339	0.8
185.09598	1.2
193.08554	1.5
194.08124	0.9
199.11188	0.4
203.10640	16.4
204.06519	1.5
204.11050	0.6
205.12195	3.2
212.09148	0.5
215.10634	0.5
217.12190	0.6
221.11743	3.9
229.12199	0.4
231.10075	0.5
233.11682	1.5
234.12030	1.2
245.11504	0.8
255.01442	0.4
255.10777	0.4
269.11899	0.5
273.02786	0.6
307.08005	1.0
313.14459	0.5
325.09106	10.7
330.17728	0.7
331.15533	0.6
349.16415	0.9
673.23199	0.6
691.38666	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22752	0.4
55.01855	0.6
55.05499	1.3
57.03440	0.5
59.83942	0.3
65.03958	0.4
67.05494	1.9
69.00167	0.4
69.03416	0.5
69.07072	0.5
70.07061	1.0
70.07471	0.9
71.04983	0.8
79.05502	1.9
81.03416	1.8
81.07050	2.5
82.03727	0.5
83.04967	0.9
83.08608	0.8
85.02908	0.9
86.09687	0.5
91.05487	1.5
93.07040	2.2
95.04966	1.0
95.08621	0.9
97.06533	1.2
97.10191	0.5
105.07022	1.3
107.04930	0.4
107.08604	0.8
109.10160	0.7
117.06976	0.4
119.08563	1.1
121.10148	0.6
123.08056	0.4
123.11652	0.4
123.94294	0.4
125.09613	0.4
131.08571	0.6
133.10130	0.7
135.08009	0.5
135.11731	0.8
137.12202	0.3
145.10136	0.7
147.11682	0.4
161.09662	0.4
163.11201	0.9
184.07285	1.9
201.09135	0.5
258.76022	0.3
267.15988	0.5
275.20032	0.6
283.15552	1.8
284.15802	1.3
285.16183	1.0
323.01758	0.4
349.23828	1.1
398.02188	0.4
400.15384	0.5
428.14813	0.7
429.15582	1.2
430.16568	0.9
442.16760	1.0
443.17221	1.4
444.18109	1.1
455.13586	1.2
456.14450	1.1
457.18811	4.6
458.19312	0.8
467.17407	0.5
469.10883	0.8
470.12436	1.8
483.12433	4.7
484.13678	10.7
485.14566	2.0
486.15289	0.6
493.27686	0.8
494.27933	2.1
496.17352	0.7
497.14871	5.2
498.15128	7.3
499.15698	3.4
502.14993	0.5
510.18958	1.0
511.15668	2.6
512.16901	6.9
513.17627	22.8
514.18402	6.8
515.18939	0.7
523.15973	8.1
524.16656	1.3
525.17932	2.4
526.18353	3.2
527.19299	7.4
528.19800	1.0
539.18713	0.5
541.18945	0.4
545.24432	0.8
554.20837	0.6
555.18488	2.9
556.19629	1.0
557.24103	0.5
569.20758	0.5
571.19757	0.4
573.21039	0.9
599.21130	1.9
600.21875	2.5
601.22858	3.8
614.23584	1.1
617.23431	0.4
659.23615	2.5
660.24255	4.2
661.24298	1.1
673.25159	2.7
673.36121	0.6
691.26013	100.0
692.26233	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	691.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.2
55.01869	0.7
55.05500	2.5
57.03434	2.1
61.02921	4.6
65.03928	0.5
67.05496	5.2
69.03422	2.5
69.07056	1.3
71.01344	0.9
71.04980	0.8
73.02911	2.9
74.83926	0.3
79.05479	5.6
79.52472	0.4
81.03407	4.1
81.07037	4.0
83.04974	1.7
83.08580	0.8
85.02891	4.3
85.06501	0.7
91.03935	2.8
91.05473	4.9
93.07037	6.3
95.04985	2.2
95.08590	2.8
97.02872	4.9
97.06524	1.5
97.10155	0.8
99.04427	0.9
101.02377	1.2
105.07018	4.1
107.04930	1.3
107.08596	2.5
109.02914	0.6
109.06490	0.7
109.10146	0.8
115.04002	0.4
117.07016	1.4
119.08561	2.5
121.06481	0.8
121.10148	0.7
123.08068	0.9
127.03912	1.4
129.07005	1.1
131.08586	0.6
133.10100	1.4
135.11691	1.0
143.08517	0.6
145.10081	2.2
147.11676	2.2
157.10109	0.8
161.13258	0.6
163.11189	2.0
171.11659	1.7
173.09549	0.6
243.08421	1.8
247.13152	0.9
249.10681	0.5
286.51459	0.6
375.27567	0.5
465.20898	9.8
467.18918	5.3
691.32880	100.0
692.33118	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	692.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87421	1.3
53.03927	4.2
55.01854	4.4
55.05500	20.6
57.03426	19.5
61.02905	5.6
67.05495	31.3
68.88366	1.2
69.03407	7.4
69.07052	8.8
69.60875	2.4
69.61280	9.1
71.04971	6.9
73.68715	1.4
77.85413	1.2
79.05020	2.2
79.05479	36.4
81.03403	100.0
81.06602	2.5
81.07046	35.4
82.07352	1.4
83.04504	2.5
83.04964	25.9
83.08608	34.2
85.02893	39.6
85.06534	2.5
91.05463	47.5
93.06445	1.6
93.07027	24.2
95.04950	41.4
95.08584	12.8
97.02853	6.2
97.06499	4.3
97.10129	3.8
98.21363	3.5
99.08047	2.4
100.08940	1.5
104.58958	1.3
105.07018	32.9
107.04932	10.2
107.08569	10.3
109.06493	6.7
109.10126	4.1
111.04389	3.4
111.08067	13.6
113.05978	2.4
115.05384	1.8
117.06977	2.9
119.08566	29.9
121.06482	3.1
121.10114	12.5
123.08024	3.0
123.11658	1.9
129.06982	18.0
131.08549	15.4
133.06456	4.6
133.10101	17.6
137.09590	2.4
142.07768	4.1
145.10107	1.9
147.08005	5.3
147.11659	20.8
149.09662	7.4
152.81398	1.4
157.10115	24.1
165.12733	4.2
175.11156	21.3
176.11447	1.6
193.12219	66.2
194.12526	1.8
211.13264	98.8
212.13600	3.7
232.55827	1.4
237.83813	1.7
252.84816	1.6
267.15884	41.0
268.16116	1.5
273.14911	1.7
276.50446	1.4
285.16922	91.7
286.17282	3.3
349.21603	2.0
367.22556	3.2
385.23782	3.5
459.27344	21.8
460.27600	2.1
477.28476	25.1
478.28738	2.4
486.45490	1.5
495.29480	68.4
496.29599	6.4
515.09387	1.9
529.76202	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
54.77445	1.0
55.05507	17.9
57.03433	9.8
57.07059	1.4
59.04998	6.3
59.85649	1.1
61.02906	4.7
61.58989	1.1
62.04059	1.0
65.03935	2.8
67.05499	82.1
68.85973	1.0
69.03418	4.2
69.07048	8.3
69.48112	11.7
71.04987	25.4
73.02905	1.8
79.05483	25.0
81.03411	14.9
81.07044	31.0
83.01322	5.1
83.04972	14.6
83.08612	11.2
85.02894	10.8
85.06536	4.3
91.03943	2.9
91.05475	23.7
92.05759	1.3
93.07036	36.4
95.04971	8.8
95.08598	17.1
97.02867	6.5
97.06525	9.1
97.10184	2.6
98.20711	1.7
99.04424	2.7
99.08104	1.4
103.05420	1.9
105.07018	12.0
105.87244	1.1
107.04955	8.0
107.08586	19.2
109.00619	1.2
109.02860	2.1
109.06509	7.0
109.10146	69.5
111.04418	4.6
111.08052	4.7
117.07008	9.1
119.08566	17.6
121.06514	4.5
121.10125	10.2
123.04398	1.2
123.08051	7.0
125.09637	3.0
127.03903	1.6
129.05507	1.2
129.06949	1.9
131.08549	4.9
133.10144	3.3
135.08070	2.8
135.11664	23.6
137.09616	10.0
145.10115	18.2
147.08022	2.0
147.11681	1.5
149.09572	2.6
149.13263	1.1
151.11200	2.0
153.12685	1.4
155.08522	1.4
155.10645	4.4
157.10106	1.2
163.11169	24.6
173.09618	3.2
173.11681	11.8
173.18494	1.1
181.12167	6.1
181.15675	1.2
184.07269	1.5
187.13203	1.4
191.10703	2.5
209.11705	4.6
211.13295	2.3
227.12767	2.0
229.14276	1.3
241.14243	1.2
255.15988	7.8
267.15833	1.6
269.17435	4.3
283.15356	22.9
287.18488	13.3
437.25311	100.0
438.25555	3.1
445.25839	2.3
451.26971	7.0
463.26855	38.6
464.27313	2.8
477.28436	4.6
484.13644	1.6
485.13541	1.8
495.29501	87.9
496.29791	3.6
513.17377	1.8
514.17859	3.7
515.18304	2.1
664.25189	1.5
692.26453	22.3
692.37842	1.3
693.25647	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	693.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01869	1.1
55.05499	0.9
60.84420	0.6
63.60428	0.5
65.03927	1.0
65.54934	0.5
67.05485	2.5
69.03413	0.7
69.07040	0.7
70.06553	0.6
71.05002	0.9
71.69984	0.9
77.03879	0.7
79.05473	2.3
81.07033	1.5
82.06549	1.2
83.04945	0.6
85.02879	1.8
85.06509	1.4
91.05474	3.4
92.04987	0.9
93.05766	1.3
93.07014	2.3
94.06557	4.0
95.04943	1.8
96.08099	1.6
97.02874	4.1
100.11232	1.5
105.07003	0.7
106.06529	1.2
107.08556	0.6
108.04449	1.2
108.08102	9.5
117.05717	2.4
118.06532	4.5
119.04898	1.4
119.07305	1.1
120.08088	2.3
122.06011	5.3
123.06766	1.7
124.07578	18.3
131.07262	0.8
132.08073	5.1
133.10118	1.0
134.05995	1.0
136.07556	71.0
137.05952	0.6
137.07909	0.9
138.09111	1.5
144.08119	0.8
146.05974	2.6
146.08420	1.0
146.09592	1.2
147.04378	7.8
148.04756	3.6
148.07550	2.0
150.05470	1.0
152.07056	4.6
155.07309	0.6
156.08049	0.9
157.08754	1.0
158.09618	1.0
159.09154	1.9
160.07549	15.9
161.07004	0.8
162.05446	1.0
163.03854	1.2
164.07043	40.0
165.07339	0.7
166.08662	1.9
167.07259	1.8
168.08141	0.8
169.07553	1.3
169.08829	0.7
169.12134	0.8
170.08372	2.4
170.09651	1.0
171.09126	1.2
172.03915	2.2
172.11217	0.9
173.10858	2.6
174.07816	0.7
174.09178	0.8
180.06573	0.9
180.08044	1.3
181.08841	8.0
182.08307	0.7
182.09662	4.4
183.09088	6.2
183.10342	0.8
184.07549	0.6
184.09883	10.0
184.11244	1.0
186.09157	0.8
187.08635	7.6
187.13313	1.2
188.09399	1.8
188.13614	0.8
189.10233	1.2
190.04897	1.0
195.09024	0.7
195.10478	0.8
196.11194	9.6
197.10637	5.6
198.09453	0.9
198.11462	8.3
198.12871	0.4
199.08597	3.9
199.12277	20.4
200.10867	0.8
201.10246	3.8
202.08609	0.9
204.06502	3.8
209.08334	1.1
210.14848	1.1
211.08612	6.3
211.12164	1.3
212.09105	5.5
212.11003	1.5
212.13045	1.2
213.06635	1.3
213.10179	6.9
213.13823	8.5
214.12422	0.6
214.14134	0.8
215.08167	0.6
215.11818	1.4
217.09698	1.4
221.10638	0.6
223.12270	2.3
224.10730	12.1
225.10127	10.5
226.07277	0.9
226.10942	10.5
227.08229	5.2
227.11732	11.3
228.08733	1.1
228.12280	0.9
229.09695	1.4
229.13446	0.9
237.10260	0.6
239.08176	2.2
239.11763	3.6
240.08719	1.3
240.12491	4.8
241.06052	1.2
241.09656	9.0
241.13332	24.0
242.10226	0.9
242.13644	0.9
243.11304	1.0
245.09143	1.6
245.12950	2.9
251.11740	2.9
253.09650	4.0
254.10474	4.2
255.07561	1.2
255.11237	14.8
256.11691	5.1
257.09204	1.1
257.12759	1.7
259.10660	1.0
259.14349	3.3
265.09665	1.0
266.10486	0.7
267.11221	3.9
269.12802	66.3
270.10092	0.6
270.13205	1.8
271.10712	1.6
273.12308	2.0
279.11148	1.0
281.08984	0.9
283.07608	1.0
283.10712	9.2
284.11346	1.1
285.12280	7.7
286.12833	0.9
287.13858	100.0
288.14279	3.0
295.10773	2.3
297.08896	1.0
297.12296	11.2
299.10159	1.1
300.11087	0.9
301.11758	5.4
305.15112	0.7
311.10178	8.0
313.11786	5.0
315.13321	27.8
316.10229	0.7
316.13766	1.1
319.12799	1.7
321.12241	1.4
322.11899	1.2
325.11823	1.3
327.13382	0.8
329.11295	20.3
329.15259	1.0
330.11984	0.6
333.14413	1.7
334.11646	0.8
335.12271	1.8
339.09680	2.3
341.10907	1.2
343.13046	0.8
347.12561	0.8
357.10742	18.1
357.14236	0.9
358.11017	0.8
361.13910	15.9
362.14780	0.6
367.15430	0.7
371.12103	1.5
373.13745	3.6
375.11719	2.2
380.12347	1.7
381.27029	0.5
388.12311	1.0
389.13361	24.1
390.13812	1.5
394.13989	0.8
396.70435	0.5
408.15378	0.8
467.16968	1.0
480.17746	1.2
554.21082	0.8
581.23987	1.0
597.23047	1.9
599.25092	3.4
607.21661	0.7
615.24121	2.0
625.22784	9.8
626.22632	0.8
630.22906	1.7
643.23932	26.5
644.24115	1.8
648.23059	0.6
657.25262	5.1
661.24780	3.8
675.26404	5.9
676.26581	0.7
693.27820	1.3
693.49182	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37892	0.4
53.03940	0.8
55.01869	1.4
55.05503	2.4
56.98446	0.4
57.03426	2.3
60.54255	0.4
61.02917	5.2
67.05496	3.7
69.03420	2.9
69.07065	0.9
71.04987	1.6
73.02908	3.4
76.62807	0.4
79.05481	4.3
81.03401	3.2
81.07037	3.2
82.07323	0.4
83.01357	0.8
83.04971	2.2
83.08607	1.0
85.02896	5.4
87.90981	0.4
91.03942	3.0
91.05470	3.0
93.07029	3.8
95.04961	1.3
95.08579	2.1
97.02877	5.6
97.06538	1.2
98.20741	0.9
99.04449	1.2
101.02341	2.1
103.03940	0.4
105.07043	1.8
107.04945	1.0
107.08582	2.6
109.02867	1.2
109.06528	1.6
109.10191	1.2
111.04388	0.5
111.08055	0.4
113.78679	0.4
117.05413	0.4
117.07053	1.2
119.08572	2.1
121.06519	0.6
121.10149	1.6
123.08076	0.9
125.09644	0.5
127.03928	2.0
131.08607	0.5
133.10136	0.5
135.08061	0.5
135.11674	2.8
136.12004	0.5
137.09642	0.4
145.05072	0.5
145.10112	2.8
153.12709	0.5
155.08618	0.5
163.11192	4.2
164.11580	0.5
173.09680	1.1
181.12321	0.7
185.04251	0.5
209.11842	1.0
227.12889	1.3
228.13280	0.4
243.08371	2.1
249.10962	0.7
283.15485	1.6
284.15750	0.6
435.34756	0.4
437.25516	0.8
438.26010	1.3
459.19156	0.5
463.27155	0.6
464.27533	1.5
467.18839	16.3
468.19534	0.6
472.12723	0.4
485.13058	0.6
486.14178	0.7
496.30045	1.6
500.16055	0.6
501.15588	0.5
514.16998	1.1
515.17810	2.2
516.18964	0.7
525.16669	1.0
528.19043	0.4
529.19763	0.6
602.21857	0.6
603.22992	0.5
662.25043	0.7
693.30981	100.0
694.31464	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	694.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
57.03427	0.6
65.52158	0.2
67.05499	0.3
69.03419	1.6
70.06581	0.6
70.97327	0.5
71.04979	3.4
75.04475	0.3
79.05476	0.4
81.03405	0.9
85.02892	4.5
85.22134	0.2
89.03902	1.5
91.05457	0.6
93.06996	0.3
95.04959	0.2
95.08582	0.3
97.02879	4.2
99.04424	0.5
107.04951	1.1
108.08128	0.4
109.02868	0.4
111.04417	0.2
117.03363	2.4
119.08556	0.3
120.04413	0.2
120.08061	0.2
127.03881	0.7
127.79324	0.2
129.05438	0.9
133.05116	0.2
133.10100	0.3
135.04398	6.1
135.11624	0.2
136.07582	1.1
137.07866	0.3
145.02827	5.6
145.05205	0.5
146.03148	0.2
146.05969	1.6
147.04324	0.3
148.07550	0.5
160.03886	1.5
160.07602	0.4
161.04672	0.5
163.03880	50.3
163.37642	0.2
164.04243	1.0
164.07039	0.6
165.07379	0.3
167.07008	0.2
174.05484	5.5
175.06262	8.2
176.07036	5.0
177.05449	0.3
181.04929	1.2
184.07472	0.3
188.07103	1.2
204.06566	0.4
206.08095	78.7
207.08441	2.2
224.09142	100.0
225.09413	2.1
241.09477	0.3
242.09906	0.3
243.89139	0.2
252.52365	0.2
269.12720	0.6
270.13037	0.6
287.13834	1.0
288.14218	0.8
307.08072	0.6
315.12839	0.2
325.09113	10.4
326.09354	0.3
329.11407	0.4
358.10995	0.3
370.14801	0.3
373.13904	0.3
386.14160	0.5
390.13754	0.3
548.17401	2.1
626.23181	0.4
644.23712	0.5
662.24164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00533	0.9
53.03934	2.4
55.01855	2.8
55.05506	15.2
57.03432	12.0
57.07055	1.4
59.04988	3.0
61.02916	6.4
62.49137	0.9
65.03928	2.5
66.93559	0.9
67.05495	90.8
68.05817	1.3
69.03421	6.2
69.07054	11.1
69.14792	0.9
71.01321	0.9
71.04980	29.2
71.70812	0.9
71.93328	0.7
73.02905	2.3
74.66928	0.9
75.54903	0.9
77.03878	1.0
79.05021	1.5
79.05483	30.8
81.03408	50.0
81.07043	38.7
83.04976	12.1
83.08607	22.1
85.02894	23.4
85.06533	4.7
86.09663	1.4
87.04437	1.7
91.03947	1.7
91.05468	36.9
91.06042	1.9
93.07032	31.9
95.04957	20.6
95.05446	0.4
95.05572	0.8
95.08596	20.1
97.02873	5.3
97.06521	9.2
97.10162	4.6
97.22462	0.9
98.92357	0.8
99.04435	1.3
99.08077	2.6
103.03915	1.0
105.04488	1.2
105.07012	19.4
106.07349	1.0
107.04949	8.1
107.08578	15.6
109.02878	1.1
109.06521	6.3
109.10140	69.5
110.10468	1.0
111.04428	3.7
111.08083	10.0
113.05988	1.6
115.03906	1.1
115.05447	1.1
117.06997	5.3
119.04942	1.6
119.08571	26.8
120.08856	1.0
121.06482	2.9
121.10117	14.3
123.08043	3.2
123.11693	1.8
125.09649	2.5
127.03893	1.6
128.06192	1.1
129.06992	11.3
131.08548	11.2
133.06482	2.7
133.10109	14.4
135.08026	1.9
135.11687	16.4
137.06039	1.1
137.09608	13.4
142.07796	1.4
143.00267	0.9
143.08603	1.1
145.10100	7.6
147.08072	2.8
147.11656	16.7
149.09625	6.4
149.13219	1.2
151.11169	1.5
153.12726	1.1
155.10687	3.1
157.10103	12.4
161.09523	0.8
163.03822	2.1
163.11160	6.1
165.12735	3.8
169.12230	2.5
173.11740	10.8
173.13132	1.7
175.11157	14.2
179.89038	0.8
181.12242	3.7
184.07307	3.6
187.13274	2.0
189.11127	1.3
193.12222	35.3
193.13985	1.8
194.12561	1.1
199.13231	1.3
211.13269	46.4
212.13536	1.8
228.64279	0.9
229.14256	4.2
239.16396	2.1
243.15831	2.3
249.14937	1.1
255.15880	17.8
259.09656	1.3
267.15875	20.9
269.17346	1.7
283.15256	1.6
285.16925	24.4
286.17175	1.3
287.18494	25.8
329.21051	1.4
403.24677	3.1
421.25790	37.7
428.43832	0.9
429.26346	2.7
431.22739	1.0
439.26859	100.0
440.26996	3.0
447.27328	44.6
448.27435	1.4
453.28326	12.6
461.28958	1.5
465.28436	63.2
466.28616	1.8
479.30240	6.0
492.55457	1.0
497.31003	61.6
498.31296	2.2
512.76935	1.0
539.30975	1.2
587.89941	0.9
641.35065	1.2
694.30121	3.6
694.41125	1.4
695.32416	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	694.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70326	0.5
53.03920	2.9
54.59235	0.7
54.78780	0.6
55.01849	2.3
55.05271	0.8
55.05503	9.8
57.03431	15.0
57.07052	1.1
59.32726	0.6
60.15029	0.6
61.02901	2.0
65.03936	1.3
67.05494	35.4
68.05808	0.8
69.03415	2.1
69.07062	10.1
70.21137	0.6
71.01335	3.7
71.04980	5.0
71.71069	0.9
73.02905	1.2
79.05484	28.7
79.52399	0.6
81.03409	52.7
81.07045	21.8
83.04967	8.6
83.08604	13.3
85.02878	3.0
85.06519	2.8
86.33806	0.6
87.63911	0.7
91.03942	1.1
91.05462	19.5
93.07032	34.3
94.07374	0.8
95.04955	17.9
95.08580	8.2
97.02878	2.8
97.06522	8.2
97.10159	8.6
99.04437	1.5
99.08064	1.6
103.05460	0.8
105.07011	11.1
107.04942	5.3
107.08578	24.1
107.80244	0.6
109.06502	3.0
109.10157	6.6
111.04415	1.2
111.08064	5.8
113.06079	0.6
115.05471	0.8
117.07006	4.7
119.04875	0.8
119.08555	11.8
121.06486	3.8
121.10127	6.9
123.08018	2.1
125.09620	2.0
127.03894	0.7
128.06186	0.7
129.06978	6.6
131.08530	4.4
133.06500	1.5
133.10121	6.2
135.08041	1.3
135.11676	39.7
137.09601	2.6
142.07805	1.3
143.08540	0.7
145.10085	7.5
147.08041	2.4
147.11658	4.9
149.09610	2.6
153.12729	1.7
155.08592	0.9
157.10121	5.6
157.65744	0.7
163.03876	1.3
163.11136	6.7
165.12752	1.2
171.11629	0.6
173.09598	0.7
175.11168	6.0
181.12186	7.6
184.07329	1.3
193.12218	13.4
199.13309	1.2
201.24367	0.6
211.13210	1.6
249.14888	1.5
255.15886	74.8
255.88333	0.7
256.16132	2.1
267.15881	46.9
268.16446	1.1
283.15378	0.7
285.17133	1.1
287.18588	1.0
373.23767	1.0
403.24713	1.7
406.20493	0.7
421.25726	8.9
423.61200	0.8
429.26334	1.0
438.09393	0.7
439.26804	1.9
447.27365	100.0
448.27539	5.7
465.28232	7.0
467.18753	1.8
468.19376	0.7
469.20563	0.8
479.26199	0.7
489.28699	1.8
497.30878	2.4
555.29541	0.8
613.68256	0.7
694.31476	8.3
695.32159	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.4
53.18309	0.8
55.01859	1.9
55.05502	8.6
57.03419	8.7
59.04974	0.9
61.02908	2.5
62.06044	1.1
65.03938	1.7
65.28701	0.8
65.99408	0.7
67.05138	1.5
67.05493	24.4
68.30296	0.7
69.03429	5.2
69.07050	9.5
70.06601	1.4
70.99366	2.5
71.04964	3.3
73.02885	1.3
77.79477	0.8
79.05475	20.6
81.02940	1.5
81.03406	30.1
81.07043	41.8
82.07362	1.1
83.04967	6.7
83.08604	14.8
85.02892	15.0
85.06522	2.7
86.09686	1.9
88.03973	1.1
91.05457	19.0
93.07028	26.6
94.07364	1.0
95.04957	13.0
95.08591	13.4
97.02869	3.5
97.06510	3.9
97.10136	2.0
99.04424	1.3
99.08091	1.9
103.05396	0.9
105.07014	15.6
107.04928	3.0
107.08581	14.3
109.02820	1.3
109.06485	3.6
109.10159	4.5
111.04409	2.0
111.08069	5.9
113.05981	0.9
115.05424	1.8
117.06986	6.1
119.04927	1.2
119.08555	13.7
119.74902	0.8
120.08913	1.1
121.06455	1.8
121.10118	11.6
121.65141	0.8
122.10385	1.1
123.08038	2.3
123.11686	4.2
125.09635	1.0
127.03898	1.6
128.96297	1.0
129.06963	3.5
130.04971	1.6
131.08551	11.3
133.06485	1.9
133.10098	12.7
135.04401	1.5
135.07988	2.2
135.11661	6.5
137.05923	3.8
142.07724	2.1
143.08517	2.0
144.74704	0.8
145.02785	1.3
145.10078	4.2
147.04364	3.4
147.08031	2.0
147.11662	8.4
149.05933	1.1
149.09605	4.2
149.13216	6.9
151.03883	1.3
151.11168	1.3
157.10101	8.6
159.11673	7.5
161.05870	1.1
161.13231	2.0
162.02182	1.7
163.03883	2.6
163.07489	1.5
163.11220	1.1
165.12712	1.2
173.13243	2.3
175.11201	6.1
175.14833	1.2
177.03166	1.1
177.05438	4.1
177.12744	6.1
177.16351	0.9
184.07350	4.3
187.14801	2.6
189.16377	1.7
193.12204	19.5
195.13745	4.8
197.13135	1.0
201.16309	2.1
203.17931	1.6
205.15845	1.0
211.13258	28.0
213.12735	0.9
213.14803	1.6
231.14070	1.0
240.08910	1.2
251.16299	3.1
267.15860	13.1
269.17453	28.2
277.14291	1.0
283.15698	1.0
285.13879	1.7
285.16937	27.9
285.20081	1.4
286.17172	1.5
291.15759	1.1
295.15067	1.0
321.16968	1.0
369.23724	1.9
382.99313	0.9
387.24719	0.9
443.27725	4.7
461.28937	23.5
462.29312	1.4
479.29993	100.0
480.30206	6.3
489.11111	0.9
497.28809	1.5
514.38605	1.5
532.31708	1.4
532.39807	17.8
623.33923	3.0
659.33698	1.2
676.27069	1.1
677.34760	2.0
694.43738	3.2
695.31995	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	695.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81018	0.2
53.03949	0.5
55.01854	0.7
55.05496	1.0
57.03434	1.7
61.02913	4.6
64.31397	0.2
67.05493	2.6
69.03430	2.9
69.07055	0.4
70.76602	0.9
71.01347	0.6
71.04981	1.0
73.02904	3.4
73.95602	0.3
79.05480	2.6
81.03406	4.4
81.07049	2.3
82.03717	0.3
83.01331	0.5
83.04945	1.5
83.08604	1.5
85.02894	5.8
85.06536	0.3
86.94780	0.2
87.04453	0.3
91.03944	2.3
91.05477	2.6
93.07026	2.9
95.04964	1.6
95.08587	1.4
97.02882	4.4
97.06529	0.4
99.04451	0.7
101.02353	1.5
101.13672	0.2
103.03927	0.4
103.05484	0.3
105.07029	2.0
107.04966	1.0
107.08577	1.6
109.02879	0.7
109.06519	1.1
109.10140	0.7
111.04447	0.4
111.08094	0.7
115.03970	0.5
117.07018	1.0
119.08591	1.7
121.06535	0.4
121.10168	0.9
123.08072	0.9
125.09615	0.4
127.03939	1.0
129.06990	0.9
131.08572	0.9
133.10124	1.3
135.11644	1.2
137.09579	0.4
145.04987	0.5
145.10121	1.8
147.11674	0.6
149.09627	0.7
157.10132	0.7
163.11185	1.9
173.09657	0.3
175.11220	0.6
181.12204	0.3
184.07301	0.7
185.04286	0.4
191.10721	0.3
193.12294	0.6
209.11801	0.3
211.13153	0.6
234.55055	0.3
243.08374	2.1
249.10670	0.3
251.12627	0.7
261.38419	0.3
267.15732	0.3
283.15497	0.3
307.15085	0.4
421.26248	0.3
422.26303	0.4
440.27179	0.4
448.28070	0.4
466.29160	0.5
467.18829	8.7
469.20377	5.4
579.90692	0.3
695.32379	100.0
696.32715	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	696.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01871	0.4
55.05513	0.6
57.03447	0.4
60.08163	0.6
63.12621	0.4
65.03957	0.3
67.05505	0.6
69.03426	1.3
69.07060	0.6
70.06590	0.5
71.04980	0.9
71.07372	0.5
71.70862	0.4
74.09724	0.4
79.05487	1.2
81.03407	1.4
81.07060	1.3
83.04973	0.8
85.02912	1.9
85.06568	0.5
85.32936	0.4
86.09696	2.8
91.05460	2.0
93.05789	0.4
93.07037	1.6
94.06561	1.8
95.04962	0.8
95.08574	0.7
96.08141	1.0
97.02914	1.3
99.04453	0.6
105.07037	1.2
106.06579	0.4
107.07353	0.8
107.08596	0.8
108.08114	4.9
109.02898	1.0
109.10175	0.4
110.09676	1.9
115.91314	0.4
118.06551	0.6
119.04929	0.5
119.08611	0.8
119.60567	0.5
120.04443	0.8
120.08094	2.6
121.08862	0.4
122.03651	1.1
122.06001	1.9
122.09643	2.6
124.07614	0.6
125.00014	1.5
127.03905	0.8
128.07040	0.5
131.08548	0.5
132.08061	0.6
133.06442	0.5
133.10170	0.8
134.05959	0.7
136.07552	6.4
137.05962	24.1
138.06319	6.4
138.09145	3.0
143.04933	1.2
145.02895	0.5
145.61954	0.4
146.06044	0.8
147.04398	3.2
148.04767	0.8
148.07561	2.3
149.08441	0.6
150.09132	2.6
151.03920	3.1
152.04279	0.7
152.07056	1.5
161.05928	0.7
161.09718	0.6
162.09085	0.5
163.03917	1.1
164.07152	1.2
166.08629	3.8
168.10251	0.6
172.03952	0.7
175.07544	0.5
177.05371	0.9
180.10239	0.6
182.11714	0.6
184.07332	8.5
186.32468	0.4
188.07126	0.5
190.08727	0.4
194.08241	0.5
196.09840	0.8
197.10745	1.1
204.06734	0.5
209.10728	0.8
211.08554	0.7
211.12334	0.6
211.63631	0.4
213.10281	1.2
223.08627	0.8
223.12291	0.8
224.09471	1.3
225.10263	2.4
226.10968	1.2
227.11848	1.2
235.08730	1.5
236.09435	1.1
237.10191	5.6
238.10966	1.7
239.08134	1.1
239.11734	3.4
240.09053	0.4
240.12587	0.4
241.09715	1.2
241.13559	0.5
248.09410	0.6
249.10168	4.3
250.11160	1.3
251.08131	1.3
251.11829	4.2
252.08925	0.7
252.12564	0.5
253.09750	2.8
253.13387	1.7
254.10474	0.9
255.11342	1.1
261.10284	0.6
262.10980	0.7
263.08121	0.9
263.11740	2.2
264.08981	0.7
265.09787	4.9
265.13416	1.0
266.10510	1.8
267.11230	6.2
268.12115	0.7
269.09253	0.4
269.12848	1.5
271.10938	0.8
277.09766	1.8
278.10422	2.4
279.07825	1.1
279.11188	5.9
279.13727	0.3
280.12128	1.3
281.09259	1.4
281.12906	3.7
283.10809	1.6
285.12357	1.1
287.05466	1.4
287.14072	0.7
289.09579	0.9
291.11200	2.0
293.09244	2.0
293.12881	4.0
294.10040	1.6
295.10822	2.2
295.14383	1.0
296.11560	0.8
297.12204	1.9
299.13855	0.6
305.09225	0.6
307.10864	2.2
308.11526	0.9
309.08896	0.8
309.12134	3.6
310.13120	0.6
311.10165	1.1
311.13953	1.3
312.11157	0.8
313.12015	1.0
314.12808	0.7
314.16348	0.6
315.13498	1.2
319.10840	0.8
321.12469	1.1
323.10403	0.6
323.13919	0.9
324.11172	0.7
325.11838	2.0
326.12698	1.4
327.13190	2.3
328.12613	1.1
330.16080	0.5
335.10315	1.0
337.12042	0.6
339.13437	4.5
340.14355	0.6
341.14969	5.0
342.15866	0.8
344.17844	0.7
349.11807	0.6
353.11255	1.0
354.12207	0.6
355.12970	1.0
356.13657	0.6
357.13300	6.4
357.17349	0.6
358.13553	8.0
367.12982	1.2
369.14618	1.4
370.15515	0.7
371.16214	0.8
372.17184	0.8
372.27438	1.1
381.14444	1.8
382.15417	0.5
383.16272	0.7
384.13205	0.4
385.13724	0.5
386.14819	0.7
397.14255	0.7
398.14893	0.5
399.15503	0.6
400.16660	0.9
409.13980	0.9
410.14523	0.5
411.15857	1.1
412.16098	0.7
413.16974	0.8
415.14893	0.9
418.17624	0.7
428.15982	0.6
429.16791	0.7
432.19025	0.8
439.14859	0.5
441.16693	3.0
442.17438	1.0
451.14920	1.2
453.16672	0.8
458.16992	0.5
460.18707	1.1
461.13080	0.6
469.16229	1.4
471.17838	1.1
479.14603	1.4
483.17697	1.6
501.18576	3.0
502.19073	0.4
511.17175	0.6
529.18347	0.8
576.23151	0.7
580.22723	0.5
586.22858	0.5
604.22833	1.1
621.23059	0.6
623.24646	1.2
632.22369	1.0
636.25415	3.7
660.34735	0.5
664.24927	14.9
682.26160	0.4
696.27533	100.0
697.27747	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10220	0.6
52.19958	0.5
67.05546	0.6
69.03455	1.1
69.63429	4.2
70.23299	0.5
79.05521	0.8
81.03448	1.7
81.07069	1.1
82.40796	0.6
85.02925	0.9
88.32972	0.7
91.05510	1.1
93.05807	0.8
93.07085	1.3
94.06599	2.1
95.07337	0.9
96.08179	1.8
107.07350	0.9
108.08098	6.5
110.09679	2.7
120.04511	1.2
120.08074	4.1
122.06092	2.3
122.09737	1.8
124.07629	0.9
132.08116	1.0
136.07549	8.6
138.05495	0.9
138.09129	4.7
146.06039	0.8
148.07547	3.9
150.09128	3.0
152.07111	0.9
152.10745	0.6
153.36734	0.5
160.07709	0.7
162.09216	0.6
164.07103	1.4
164.10765	0.6
166.08607	4.5
166.44978	0.6
171.56721	0.6
184.07527	0.6
185.10718	0.6
188.65433	0.6
194.08252	0.6
197.10799	0.9
199.12473	0.6
201.78893	0.6
209.10841	1.0
211.08760	0.6
211.12274	0.7
212.09557	1.1
213.10292	0.9
221.10909	0.8
222.11333	0.6
223.08690	1.6
223.12189	0.8
224.09436	1.3
225.10173	5.0
226.11124	1.3
227.11858	1.5
230.39330	0.6
235.08768	1.5
236.09521	1.7
237.10182	9.4
238.10922	3.0
239.08264	1.6
239.11751	7.1
241.09799	1.4
241.13412	0.7
245.13065	0.8
247.08533	0.7
248.09544	1.3
249.10194	5.1
250.10930	2.7
251.08214	1.5
251.11790	6.6
252.09090	0.9
252.12616	1.2
253.09637	5.3
253.13467	2.5
254.10611	0.8
255.11337	1.9
261.10361	1.8
262.11105	0.9
263.08246	1.8
263.11627	3.4
264.09106	1.3
264.12500	1.2
265.09851	7.2
265.13400	1.4
266.10437	2.9
267.11206	11.6
267.13794	0.8
268.12119	1.7
269.12827	0.9
277.09659	3.9
278.10458	2.8
279.08173	1.2
279.11194	9.5
280.12076	2.0
281.09488	1.4
281.12964	5.5
282.10159	0.9
283.10815	0.9
285.12399	1.6
289.09851	2.0
291.08377	0.7
291.11108	2.9
292.08572	0.7
293.09363	3.7
293.12933	5.5
294.10046	1.8
294.13275	0.7
295.10904	2.3
295.14493	1.6
296.11652	2.3
297.12244	4.3
305.09378	0.6
307.10791	4.1
308.11728	1.0
309.12292	4.8
311.10580	1.1
311.13992	2.1
312.11151	1.3
313.11914	1.2
314.12753	1.0
315.13635	0.9
316.14566	0.9
317.09363	1.4
321.12561	1.8
323.10318	1.0
323.14035	1.5
324.11377	0.8
325.11819	2.9
326.12796	2.1
327.13644	1.9
328.14474	1.9
329.15192	1.3
330.16010	0.9
335.10297	1.0
337.11954	2.0
338.12735	0.7
339.13339	7.8
340.14417	1.3
341.14957	8.4
342.16092	1.1
344.13797	0.8
344.17599	1.4
349.12103	0.8
353.11243	1.1
353.14999	1.5
354.12292	0.9
354.16135	1.2
355.13013	1.2
356.13916	1.0
357.14774	0.8
358.15494	0.9
360.17108	0.9
367.13123	2.1
369.14685	2.1
372.17227	1.5
374.18619	1.3
377.14746	0.7
381.14471	4.2
383.16281	1.5
384.17441	0.8
386.19049	0.9
395.16251	1.0
397.14136	1.0
398.14975	1.1
400.16650	1.1
409.14163	1.8
410.14789	0.8
411.15591	2.5
413.17279	1.7
414.18362	0.9
418.17410	0.8
423.15460	1.0
428.15933	0.9
432.19281	1.2
433.13922	1.4
435.15417	1.1
439.14938	0.9
441.16415	6.3
448.21899	0.9
451.15320	1.4
453.16513	0.7
459.17468	1.0
460.18863	0.9
469.16266	3.1
470.16794	0.8
471.17523	0.8
474.20273	0.8
476.21906	1.2
479.14658	3.2
483.17667	2.0
499.17239	1.8
501.18539	7.5
502.19229	0.8
503.20151	0.6
511.17172	2.4
516.21259	1.1
529.18066	1.4
564.23828	0.7
576.23328	1.5
578.21582	0.8
586.21899	1.1
592.22754	0.8
604.22705	3.1
608.26416	1.1
614.20874	1.1
618.24139	0.8
621.22852	2.0
623.24744	1.7
632.21869	3.8
636.25397	15.1
646.24017	0.9
664.24915	100.0
665.25275	5.6
682.25769	1.4
696.27478	45.4
697.27209	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27995	0.3
51.18101	0.3
53.03935	0.7
55.01867	0.6
55.72021	0.3
57.03431	0.6
59.89165	0.3
64.95868	0.3
65.03932	0.6
67.05486	1.7
69.03419	1.2
69.07043	0.5
70.06581	0.6
71.04988	0.5
79.05480	1.5
80.05001	0.5
81.03425	1.9
81.07047	1.3
83.04960	0.8
84.43894	0.3
85.02863	1.9
85.06527	0.3
86.09711	0.4
91.04997	0.3
91.05453	1.9
93.05774	1.0
93.07040	1.3
94.06543	2.7
95.04964	1.1
95.07313	0.6
95.08601	0.9
96.08132	1.6
97.02891	0.8
97.06487	0.6
98.21459	0.7
99.04406	0.3
103.05453	0.9
105.07019	0.9
106.06570	1.0
107.07339	1.1
107.08565	0.9
108.08092	7.0
109.02868	1.0
109.10125	0.4
110.09668	2.6
111.04423	0.4
118.06570	0.5
119.04916	0.4
119.08582	1.0
120.04445	1.3
120.08089	4.7
120.08885	0.6
121.05192	0.3
121.06535	0.3
121.10136	0.5
122.06002	3.8
122.09650	3.0
122.10465	0.7
123.06799	0.4
124.07608	1.0
127.03933	0.4
130.05031	0.6
131.04878	0.7
131.08540	0.5
132.08076	1.3
133.10117	0.8
134.09572	0.4
135.04350	0.8
135.06761	0.5
136.07544	8.9
136.11179	0.4
137.05965	1.4
137.08318	0.5
137.09543	0.5
138.09102	5.1
138.09998	0.4
145.02864	0.4
145.10080	0.6
146.05998	0.8
147.04420	1.6
148.07530	3.4
150.09090	3.8
151.03856	0.8
152.05740	0.4
152.07108	1.1
152.10701	0.4
160.07587	0.6
162.03033	0.5
162.05536	0.5
162.09120	0.5
163.03912	1.6
163.07510	0.8
164.07066	1.4
166.08614	5.1
167.07072	0.4
168.10240	0.7
171.11636	0.3
177.05452	1.4
180.10216	1.0
182.09648	0.4
182.11797	0.4
184.07339	1.8
184.09947	0.4
192.06525	0.3
194.08179	0.7
196.09938	0.9
197.10808	1.1
199.08780	0.5
208.09706	0.5
209.10782	0.7
210.11501	0.6
211.08620	0.7
211.12268	0.7
212.09523	1.1
213.10301	1.3
214.17989	0.4
221.10777	0.9
222.11452	0.5
223.08626	0.9
223.12335	0.8
224.09486	0.9
225.10223	4.7
226.10918	1.9
227.11743	1.7
235.08656	1.7
236.09296	1.7
237.10173	7.7
237.13977	0.4
238.10858	2.7
239.08189	1.5
239.11722	6.3
240.08846	0.5
240.12512	0.9
241.09779	1.5
241.13281	0.6
248.09483	1.0
249.04063	1.0
249.10152	6.5
250.10936	3.1
251.08134	2.3
251.11720	7.5
252.08977	0.8
252.12453	1.9
253.09705	6.0
253.13297	2.4
254.10501	0.5
254.14043	0.3
255.11189	2.6
256.12143	0.4
261.10208	2.4
262.11047	1.2
263.08176	1.1
263.11832	3.8
264.08893	1.9
264.12460	1.0
265.09763	8.5
265.13342	1.3
266.10535	2.7
266.13831	0.4
267.11227	12.6
267.14224	0.6
268.12027	0.6
269.12924	1.4
271.10754	0.7
277.09689	2.8
277.12659	0.5
278.10434	3.5
279.07834	1.2
279.11194	10.5
280.11978	2.4
281.09207	1.9
281.12851	5.4
282.10080	0.8
283.10608	1.6
285.12442	1.5
287.14008	1.0
289.09665	2.2
291.11115	2.1
292.11923	0.6
293.09265	2.6
293.12866	6.2
294.10004	2.0
294.13269	0.8
295.10751	2.5
295.14383	2.4
296.11542	1.6
297.12238	3.5
298.13028	0.6
299.10562	0.5
299.13998	1.4
300.11029	0.6
305.09204	0.8
305.12631	0.5
306.09961	0.8
307.07416	0.7
307.10687	4.5
308.11673	1.4
309.08792	0.9
309.12231	5.7
311.10294	1.7
311.13947	2.6
312.11038	1.1
312.14545	0.4
313.12006	1.4
314.12790	0.8
315.13498	1.1
316.14337	0.8
317.09103	0.7
319.10709	1.2
321.12265	2.7
323.10236	0.9
323.13998	1.3
324.11157	0.8
325.11734	2.7
326.12646	2.7
327.13327	2.5
328.14313	0.8
329.15225	1.3
330.16119	0.9
332.17648	0.5
333.12311	0.5
335.10205	1.1
337.11801	1.9
338.12607	0.6
339.13266	6.9
340.14264	1.3
341.11221	0.6
341.14883	8.5
342.15967	1.2
343.13055	0.5
344.13763	0.7
344.17456	1.0
349.11841	0.8
351.13492	0.6
353.11224	1.1
353.15054	1.1
354.16013	0.8
355.13171	1.0
356.13733	0.8
356.17688	0.8
357.14676	0.5
358.15405	0.9
358.19437	0.4
366.12415	0.4
367.12842	2.2
368.13855	0.8
369.14474	2.1
370.15494	1.1
371.16174	0.8
372.17099	1.2
374.18680	1.1
379.13022	0.7
381.14297	3.5
382.15524	0.4
383.16190	1.5
384.17236	0.7
386.14511	0.5
386.18973	0.7
388.16208	0.6
388.20923	0.5
390.17902	0.4
393.14441	0.5
396.17191	0.7
397.13971	0.9
398.14612	0.8
399.15823	0.5
400.16580	1.0
402.18130	0.7
405.14212	0.5
409.14008	1.7
411.15533	2.1
412.16440	0.6
413.17072	0.8
414.18277	0.6
415.14667	0.5
416.15424	0.5
416.20154	0.6
418.17679	0.6
421.13950	0.5
423.15506	0.8
424.16644	0.5
425.17603	0.4
427.15182	0.6
428.15860	1.1
429.16632	0.6
430.17599	0.6
432.19104	1.2
433.13959	0.8
435.15512	0.6
437.13483	1.1
439.15134	0.8
441.16556	6.1
442.17587	1.0
444.19156	0.5
446.17117	0.4
448.22699	0.6
451.15112	1.7
453.16510	0.5
455.14355	0.6
457.16153	0.4
458.16833	0.8
459.17404	0.6
460.18759	1.3
461.13278	0.9
461.19315	0.6
465.16797	1.0
469.15787	2.2
471.17618	1.0
474.20410	1.0
476.21701	0.9
478.19601	0.6
479.14450	2.0
481.15488	0.8
483.17679	2.2
497.15894	0.8
499.17029	1.4
501.18610	6.2
502.19467	0.7
511.16943	2.5
516.21014	1.1
529.18054	1.1
544.20819	0.6
546.22437	0.5
548.24194	0.4
562.21777	0.7
564.22919	0.4
576.23242	1.7
577.23419	0.5
580.22766	0.4
586.21643	0.8
593.24078	0.5
600.23560	0.5
604.22864	3.1
608.25299	0.5
614.20807	1.0
618.23810	0.5
621.23065	1.7
623.24860	1.6
632.22284	4.5
636.25415	16.2
637.25757	0.6
646.23901	0.7
664.24866	100.0
665.25208	5.5
682.25909	2.2
696.27460	50.0
697.27441	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	696.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.05486	0.4
56.64501	0.3
57.03427	2.2
69.03416	2.5
69.07050	0.4
70.57015	0.3
71.01346	0.4
71.04617	0.6
71.04985	10.1
71.15223	1.0
73.02906	0.4
75.04476	0.4
79.05508	0.4
81.03387	1.4
81.07044	0.4
83.04966	1.0
84.04485	0.6
85.02895	10.8
86.01117	0.3
86.03197	0.4
87.04443	0.4
89.03896	2.8
91.05458	1.7
93.07028	0.8
94.06527	0.4
95.04942	0.5
95.08578	0.3
97.02869	3.3
97.06498	0.4
99.04431	0.9
101.02355	0.4
103.05468	0.7
107.08562	0.4
109.02855	0.7
109.10149	0.3
111.04439	0.7
117.03358	8.2
117.06996	0.7
119.04911	1.0
121.06467	0.6
127.03880	0.8
129.05457	3.3
131.04927	0.5
133.06505	0.4
134.03589	0.8
135.04376	1.5
137.05975	3.0
143.97075	0.4
145.02826	32.4
145.06488	1.1
146.03165	1.3
147.04419	0.7
147.06509	1.1
149.05949	3.9
151.03897	0.7
151.07487	1.4
153.05481	0.7
160.07530	0.4
161.05992	0.4
163.03915	2.6
163.07448	0.6
175.07477	0.6
177.05444	100.0
178.05809	3.1
179.07002	1.2
181.08595	0.5
184.07225	0.8
186.05481	0.9
190.08939	0.3
190.10646	1.8
192.10143	0.7
193.08600	0.5
194.08188	0.5
195.06482	2.1
210.11261	1.0
212.09109	0.4
220.09683	3.1
238.10765	0.4
246.09584	0.3
247.22672	0.3
248.40359	0.3
287.09158	0.5
305.10092	0.5
321.09641	0.8
323.11124	1.9
339.10712	19.6
340.11090	0.7
380.80023	0.4
382.14944	2.6
435.85721	0.3
550.22687	1.8
597.35840	0.4
625.59351	0.4
696.27502	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.05500	1.0
56.05036	1.6
57.03424	0.5
57.07063	0.2
58.06576	1.5
58.86831	0.3
59.07382	0.3
60.08155	16.7
62.06076	1.1
67.05490	2.2
69.03419	0.8
69.07056	0.7
70.06592	0.6
70.99989	0.5
71.04989	0.4
71.07364	7.0
72.08130	0.4
73.02877	0.3
79.05492	2.2
81.03402	1.4
81.07037	2.0
83.04956	0.5
83.08604	0.7
84.08099	0.3
85.02897	1.4
85.03339	0.3
85.06522	0.4
86.09693	52.2
87.10030	0.6
91.05473	2.8
92.05910	0.2
93.07032	2.4
95.04943	0.8
95.08577	1.5
97.02864	0.6
98.98448	4.0
99.08073	0.4
103.05392	0.2
104.10728	100.0
105.07008	2.8
105.11078	0.9
107.04952	0.5
107.08577	2.3
109.02900	0.4
109.06493	0.4
109.10158	1.4
116.10747	0.4
117.06994	0.7
119.08565	2.6
121.06406	0.3
121.10101	1.4
123.08012	0.2
123.11755	0.2
124.99987	27.2
125.06081	0.3
125.09724	0.3
131.08537	1.2
133.06467	0.3
133.10114	1.8
135.04408	0.5
135.08026	1.5
135.11691	0.7
137.05951	1.7
137.09691	0.3
143.01050	0.6
143.08551	0.8
145.02849	0.3
145.10132	1.2
147.04419	0.6
147.11687	1.1
149.09621	0.3
149.13210	0.4
151.03825	0.4
151.07545	0.4
155.08559	0.2
157.10123	0.6
159.08015	0.3
159.11687	1.0
161.09644	0.4
163.01564	0.5
163.03914	0.8
163.07452	0.4
163.11221	0.3
165.12653	0.3
167.07109	0.3
171.11557	0.3
173.13254	0.6
175.14774	0.3
177.05453	0.9
181.02640	0.4
183.11826	0.3
184.07317	96.2
185.07594	1.1
185.13161	0.6
187.14774	1.1
191.14371	0.3
193.12175	0.3
199.14809	0.6
201.16356	0.7
203.14391	0.3
205.15851	0.3
209.13519	0.3
211.14922	0.2
214.18018	1.1
245.15323	0.5
253.14322	0.4
255.15898	0.4
258.11029	0.9
267.15906	0.5
271.15439	0.4
387.14856	0.3
389.28430	0.3
407.29370	1.3
425.30408	0.4
435.28937	0.7
445.26239	0.3
453.29950	3.5
454.30200	0.3
463.26822	0.8
464.14569	0.2
469.20190	0.3
471.31174	1.1
481.28021	0.9
498.29788	7.8
499.30240	0.7
516.30786	58.8
517.31085	3.7
534.31268	0.4
678.35883	0.9
696.31720	1.6
697.33978	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31781	1.4
55.01844	1.5
55.05500	16.1
57.03429	9.3
57.07069	10.8
57.72139	1.2
61.02918	30.9
65.03891	1.9
67.05493	74.2
69.03421	3.1
69.07053	24.8
70.25101	2.3
70.25526	5.4
71.04985	2.7
71.08625	6.3
73.02905	9.2
75.04405	1.3
79.05076	2.2
79.05481	21.6
81.03403	3.0
81.07043	92.7
83.04955	2.2
83.08606	24.0
85.02892	38.4
85.06526	3.1
85.10162	2.5
91.03371	1.8
91.03944	29.0
91.05451	15.5
93.07034	25.4
95.04967	2.7
95.08590	89.8
97.02880	16.2
97.06504	6.0
97.10159	15.7
99.04436	2.3
99.08062	3.6
99.57998	1.3
105.07003	12.1
107.08578	16.9
109.02824	1.3
109.10143	45.6
111.08044	5.4
111.11703	3.2
113.09623	4.0
115.03918	2.8
119.08562	13.7
119.23279	1.4
121.10129	25.2
123.08073	1.6
123.11687	19.4
125.09666	2.3
127.03902	9.8
127.11204	1.7
133.10109	18.1
135.11687	14.4
137.09566	1.5
137.13220	9.0
139.11182	1.9
141.12744	3.1
143.49562	1.4
145.04941	16.8
147.11649	11.6
149.13219	11.6
151.11160	2.8
151.14803	6.8
151.98833	1.3
153.12704	1.6
155.14235	3.2
157.08269	1.2
161.13216	14.2
163.06004	22.1
163.14833	12.4
165.16388	10.1
169.15875	1.4
175.14789	12.2
177.16354	2.2
179.14240	2.7
179.17920	8.6
181.15811	2.3
189.16331	4.6
199.10748	1.5
203.17899	3.1
217.19429	2.4
229.47807	1.3
245.22609	67.7
246.23021	1.4
263.23660	100.0
264.24017	2.7
265.25165	3.2
281.24689	2.6
337.27307	46.1
355.28281	9.4
469.56073	1.2
563.46893	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94510	1.0
53.03936	2.0
55.01846	1.3
55.05500	20.3
56.59088	1.1
57.03425	8.2
57.07063	11.0
61.02916	26.8
65.03898	1.4
67.05492	79.7
69.03396	2.3
69.06689	1.5
69.07054	27.9
70.02036	5.8
71.04984	1.6
71.08605	6.0
73.02908	10.9
79.05480	22.9
81.03403	2.8
81.07041	94.4
83.04961	3.2
83.08601	20.7
85.02885	31.3
85.06517	2.9
85.10159	3.6
91.03939	25.1
91.05460	16.2
93.07028	28.9
95.04971	3.5
95.08588	82.4
95.79798	1.1
97.02879	13.1
97.06514	9.3
97.10153	17.1
99.04439	2.1
99.08074	5.3
105.07014	11.6
105.49219	1.3
107.08572	20.2
109.06522	2.2
109.10134	44.6
111.08066	4.4
111.11693	3.3
113.09638	1.6
119.08569	14.5
121.10123	22.8
123.11679	20.8
125.09572	2.6
125.13183	1.8
127.03882	9.3
127.11088	1.9
133.10104	18.7
135.11678	14.5
137.09587	2.6
137.13243	7.2
139.11038	1.4
141.12675	2.3
145.04933	9.7
147.11671	12.2
149.13231	12.0
150.22015	1.1
151.11169	2.6
151.14803	6.1
155.14252	4.1
161.13239	14.0
163.05994	16.8
163.14792	11.5
165.16345	9.2
165.63724	1.2
175.14771	11.8
177.16393	2.8
179.14265	1.4
179.17926	6.8
189.16342	4.4
203.17914	2.4
217.19516	1.7
245.22604	70.4
263.23660	100.0
264.23978	1.3
265.25162	2.1
281.24774	2.3
337.27307	69.5
338.27603	1.5
353.33978	1.3
355.28363	13.2
373.92508	1.3
402.14682	1.4
499.32452	4.4
577.65045	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.05500	4.4
56.05032	3.0
57.03409	0.5
57.07068	2.5
58.06575	0.5
60.04510	1.7
61.02910	0.6
64.20937	0.3
65.03915	0.5
67.05495	8.4
68.05003	0.5
69.03407	1.8
69.07056	6.2
70.06586	1.6
70.96928	0.9
71.04938	0.3
71.08617	1.6
79.05479	6.6
80.04570	0.2
80.05003	1.8
81.03400	0.7
81.05763	0.8
81.07040	8.0
82.06563	5.8
83.08608	4.2
84.08111	0.6
85.02876	2.8
85.10153	0.7
86.06065	0.5
88.16730	0.3
91.05460	6.5
93.05795	0.5
93.07023	7.7
94.06551	13.9
95.04951	1.1
95.06775	0.4
95.07333	6.0
95.08588	6.2
96.08116	5.8
97.02862	1.1
97.06501	0.3
97.10140	2.4
105.07014	3.9
107.08578	4.1
108.08090	2.4
109.02866	0.4
109.09637	0.2
109.10148	2.3
110.09651	0.5
111.11692	1.0
115.32133	0.2
117.06962	0.6
117.93192	0.3
119.08566	4.8
121.08830	0.4
121.09172	0.2
121.10117	4.8
122.09647	2.1
123.11665	1.2
124.11225	0.4
125.13202	0.3
127.03881	0.8
127.98303	0.2
133.10101	3.3
134.09598	0.3
135.10455	0.7
135.11650	2.7
136.11194	0.8
137.13194	0.5
145.04961	0.4
147.11713	1.3
149.13219	0.8
150.12724	0.3
151.14780	0.3
161.13222	0.8
163.14772	0.7
171.69737	0.2
175.14771	0.3
193.19487	0.4
219.21037	0.9
233.22595	2.6
234.22061	0.6
237.22183	0.4
245.22603	4.7
247.24193	0.3
250.25256	5.7
254.24792	1.8
262.25256	100.0
263.23312	0.6
263.25961	1.3
264.26846	0.6
272.25784	5.2
280.26300	5.2
282.24423	0.4
292.26425	0.3
296.25845	0.3
312.25204	0.8
314.26489	0.3
368.31662	0.4
442.31476	0.7
504.47610	3.8
516.47687	24.8
517.47870	1.1
518.49243	7.8
534.48657	6.4
696.54138	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	697.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.01863	0.4
55.05493	1.1
56.05054	0.3
57.03421	2.0
60.08152	0.6
61.02921	4.4
62.58125	0.3
65.02734	0.3
67.05500	2.2
69.03419	2.7
69.07063	0.6
69.38651	3.4
71.01337	0.3
71.04982	1.0
73.02908	3.0
79.05479	2.5
81.03400	5.6
81.07044	2.8
83.04979	1.2
83.08592	1.6
85.02895	6.3
86.09691	2.0
87.10029	0.6
91.03946	2.5
91.05465	3.4
93.07024	2.0
95.04961	2.3
95.08592	1.3
97.02888	4.7
97.06527	0.4
99.04430	0.9
99.08079	0.3
101.02380	1.8
104.10729	3.8
105.07027	2.5
105.11078	0.7
107.04946	1.1
107.08585	0.7
109.02869	0.8
109.06488	0.5
111.07397	0.3
111.08088	1.0
113.06022	0.3
115.03893	0.5
115.05409	0.5
119.08582	2.6
121.10139	1.2
125.00018	1.0
127.03929	1.6
129.05515	0.3
129.07005	1.2
131.08533	1.3
133.06535	0.4
133.10115	1.7
136.50252	0.3
137.05933	0.3
145.04927	0.4
145.10092	0.3
147.04333	0.5
147.08066	0.3
147.11684	2.1
149.09656	0.8
157.10107	1.7
175.11179	1.4
184.07327	3.4
185.04210	0.6
185.07608	0.5
193.12248	2.0
203.05360	0.5
211.11542	0.3
211.13390	0.9
243.08350	2.2
251.12581	1.6
267.09106	0.3
285.10141	0.3
285.16943	0.4
301.80106	0.3
307.15137	0.8
338.93747	0.3
469.20453	12.6
470.20493	0.4
499.30219	0.6
516.30707	0.6
517.31219	2.3
535.29449	0.5
562.10046	0.3
697.33942	100.0
698.34143	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	697.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.5
55.01859	8.1
55.05500	22.7
57.03421	7.2
57.07064	46.8
58.27810	1.8
62.06088	2.5
65.03919	2.8
67.05493	42.3
69.03422	23.5
69.07057	16.1
71.01350	3.3
71.04974	7.0
71.08619	33.4
71.71783	2.1
74.78345	1.7
79.05484	27.2
81.03404	74.7
81.07043	41.3
82.07410	2.0
83.01329	2.8
83.04973	21.4
83.08600	17.8
85.02875	9.3
85.06524	3.8
85.10172	18.0
91.05465	15.6
93.07035	26.1
95.04942	10.7
95.08598	40.1
97.02881	20.2
97.06522	10.4
97.10143	8.4
99.04449	8.9
101.34396	2.1
105.07029	11.5
107.04949	12.0
107.08572	18.0
109.02866	23.1
109.06515	5.7
109.10131	23.8
111.04426	19.0
111.08098	5.4
116.23209	1.9
117.07013	7.8
119.08534	9.7
121.06506	4.8
121.10105	10.9
123.04474	2.0
123.08035	4.7
123.11690	6.0
125.05975	3.4
127.03896	20.2
129.07018	2.7
131.08575	8.0
133.10138	5.2
135.08034	2.5
135.11684	16.8
137.06015	2.0
137.09560	3.0
137.13216	3.0
143.08585	2.4
145.10097	14.1
147.08081	2.6
147.11647	3.5
149.09601	4.8
151.11180	2.9
153.12701	15.2
161.09656	4.1
163.11157	25.4
173.04463	9.8
173.09688	3.0
179.10715	3.4
181.12193	10.1
183.06540	2.5
191.10590	11.4
199.13303	2.0
209.11711	14.1
223.13217	12.7
225.11209	6.5
227.12743	26.8
227.14777	2.3
230.70323	2.1
239.23683	9.3
241.14313	26.0
245.37207	2.4
250.21341	2.0
265.14420	2.4
313.27408	6.1
335.14957	2.5
353.15912	20.6
383.28049	5.3
409.18317	4.3
439.30292	2.5
441.21118	2.6
449.29507	2.1
481.88995	2.5
506.39090	3.2
521.38220	4.8
553.40912	11.4
567.86047	2.7
665.42542	6.0
697.45068	100.0
698.45264	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	698.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.05501	2.0
57.03434	2.1
63.02359	0.3
67.05488	0.3
69.03418	1.7
69.68736	0.9
69.69176	1.5
70.06572	0.7
71.01335	0.4
71.04981	10.6
73.02889	0.4
74.06083	0.3
76.27562	0.3
79.05486	1.5
81.03400	1.1
81.07043	0.5
83.04967	1.4
83.08595	1.4
84.04482	1.2
85.02382	0.7
85.02897	12.9
85.06538	0.3
87.04438	0.4
89.03909	1.9
91.05455	0.6
95.04961	0.3
96.04485	0.3
97.02879	3.9
98.21546	0.3
99.04446	0.6
100.07575	0.7
100.11239	8.3
101.02344	0.4
101.11538	0.4
102.05540	0.3
105.03442	0.3
107.04935	3.0
109.02861	0.6
111.04425	2.3
112.07561	0.5
115.05451	0.4
117.03374	2.7
117.07007	0.6
119.04886	0.6
121.10085	0.3
123.04433	1.9
127.03916	1.0
128.07053	1.1
129.05463	3.9
131.04912	0.3
135.04407	10.7
137.02344	0.3
137.05956	1.3
139.03940	0.8
140.07051	0.6
145.02835	6.8
145.05171	0.3
145.06459	2.0
147.04402	1.0
147.06508	1.3
149.05910	0.6
151.03893	1.2
152.07040	0.7
153.05441	3.4
154.05714	0.4
157.06442	0.3
160.07567	0.5
161.05992	1.2
163.03885	100.0
164.04263	2.4
164.07039	0.5
165.05464	1.2
167.95486	0.3
176.07047	0.9
177.05383	0.8
178.05000	0.6
178.08614	1.4
178.86937	0.3
181.04906	1.8
182.15355	2.5
188.07019	0.6
189.05453	1.4
190.10722	1.6
194.08110	1.5
196.06041	1.1
206.08105	6.4
207.06534	0.6
209.16556	1.5
210.14894	4.1
211.15141	0.3
224.09192	1.0
226.19241	0.5
227.17555	0.4
228.12230	0.3
228.15910	0.7
246.09741	0.4
307.08102	0.7
309.09720	0.8
325.09134	18.4
326.09747	0.4
331.56976	0.4
343.30600	0.7
354.11221	0.3
368.13354	5.6
382.02872	0.3
453.34521	0.3
459.12790	0.4
471.14865	0.5
474.12408	0.3
502.68512	0.4
514.18878	0.5
520.18347	2.0
552.20447	0.8
632.33722	0.3
697.52161	7.8
698.52441	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	698.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.01849	0.6
55.05505	3.3
57.03403	0.4
57.07057	0.7
57.45253	0.4
59.16380	0.4
59.16677	0.4
61.02907	0.5
66.69118	0.5
67.05497	2.5
68.98280	0.5
69.03407	1.8
69.07054	8.0
70.06568	1.7
71.04951	0.4
79.05493	2.4
81.03410	2.2
81.07040	3.3
83.04942	1.3
83.08591	2.3
85.02882	3.5
85.06515	0.6
86.09694	0.7
91.05450	5.3
93.07025	3.0
95.04924	0.8
95.08578	5.7
97.02859	1.0
97.06553	0.5
99.04391	0.6
99.26694	0.4
103.05444	0.7
105.06997	10.2
106.07327	0.5
107.04927	0.7
107.08566	5.4
109.02856	1.3
109.06480	1.1
109.10134	3.5
111.04418	0.5
117.03294	0.5
117.06986	1.9
119.04906	4.3
119.08554	38.5
121.06479	1.2
121.10131	3.4
122.62029	0.4
123.11647	0.6
127.03854	1.3
131.04959	0.5
131.08560	1.9
133.10101	26.9
135.11658	1.9
137.05942	3.7
137.09605	0.9
143.08559	1.0
145.02841	1.2
145.10081	2.9
147.04375	32.9
147.11667	4.3
148.04730	1.0
151.03868	1.1
151.14793	0.5
157.10039	1.0
159.11656	1.7
160.12462	1.3
161.13148	0.8
163.03867	2.2
163.11172	0.6
164.04155	0.5
165.05414	2.0
167.07025	1.0
169.10083	1.0
171.11580	0.6
173.13232	3.0
175.14787	100.0
176.15089	3.0
177.05472	1.8
185.13162	1.1
187.07495	0.7
187.14777	0.9
189.12682	0.7
191.14246	0.9
193.15865	6.8
197.13188	0.6
203.14281	0.5
205.15849	1.1
213.09171	0.5
241.06357	0.5
248.73851	0.6
291.08783	0.5
309.09561	4.3
351.18829	0.4
437.30551	0.9
447.28836	0.6
465.29987	0.7
483.30920	0.9
521.64221	0.5
536.32245	0.6
698.25555	0.8
701.53363	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.05507	9.4
57.03430	2.8
57.07065	2.1
61.02903	2.4
65.03931	1.2
67.05486	13.2
69.03413	3.8
69.07054	14.4
71.04971	2.9
79.05472	10.1
81.03381	3.0
81.07043	23.3
83.04964	1.6
83.08593	9.2
85.02888	10.8
85.06514	2.6
91.05458	12.9
92.92197	1.0
93.07027	25.3
95.04954	2.6
95.08591	38.1
97.02878	5.0
97.06506	2.3
97.10154	3.2
99.04479	1.2
99.08075	2.9
103.05431	1.4
105.07007	38.8
107.08574	49.0
108.08021	1.3
109.02874	2.1
109.06496	4.4
109.10132	36.6
110.54616	1.1
111.08073	4.6
115.05409	1.2
117.06989	6.0
119.04898	2.2
119.08558	80.2
121.06506	3.1
121.10120	39.2
123.08060	3.2
123.11713	9.2
125.05953	1.7
125.09593	2.8
127.03915	2.1
128.06189	1.5
129.07001	5.0
130.07693	1.2
131.08534	34.8
133.10104	42.6
135.08029	7.9
135.11665	22.0
136.07594	2.6
137.06003	2.5
137.09592	8.4
137.13245	2.1
142.07796	1.7
143.08521	16.2
144.09335	2.7
145.04927	1.3
145.10100	48.4
147.04401	4.8
147.08015	3.2
147.11656	20.7
149.06020	1.1
149.09608	3.0
149.13226	12.1
151.07526	2.4
151.11165	2.4
153.09097	4.3
155.08575	1.2
156.09372	1.6
157.10114	17.1
158.10849	2.8
159.08023	1.2
159.11671	32.1
161.09641	5.6
161.13225	25.3
162.07565	2.3
163.07567	1.6
163.11163	5.9
163.14796	13.7
167.10649	1.6
169.10147	4.6
170.10893	2.9
171.11652	15.8
173.09601	1.4
173.13235	43.6
174.13614	1.9
175.07573	1.9
175.11154	3.1
175.14798	37.6
176.15108	1.4
177.09125	2.2
177.12726	11.4
177.16360	11.0
179.14238	2.0
180.08768	1.7
181.10107	1.8
181.12238	1.1
183.11685	9.5
185.13234	52.8
187.14790	55.4
188.15031	1.6
189.12697	10.2
189.16335	14.2
191.14278	28.5
191.15994	1.9
191.17929	2.8
193.15880	2.6
195.11699	2.0
197.13210	6.2
199.14792	27.8
201.12698	3.7
201.16348	43.9
201.18158	2.4
203.14281	20.7
203.17949	10.1
205.12248	1.8
205.15862	12.2
205.19479	1.2
207.13797	2.7
207.17595	1.4
209.13304	2.7
209.15257	2.3
211.14815	5.7
213.12862	2.2
213.16333	21.2
215.14308	4.9
215.17940	4.5
217.12198	2.9
217.15857	9.1
219.13805	3.6
219.17375	6.1
221.15359	2.8
223.14813	2.7
223.16910	2.9
225.16356	5.0
227.17867	7.3
229.15898	5.9
229.19481	2.6
231.13817	3.6
231.17441	3.7
233.15421	3.1
235.13199	2.2
235.16820	1.3
237.16304	4.0
237.18495	1.3
238.10590	1.4
239.17906	5.2
241.19530	4.2
243.17368	1.5
245.15382	9.1
245.19041	1.6
247.16890	10.1
249.10585	1.3
249.14793	29.5
251.18042	2.8
252.12042	1.3
253.19443	5.7
255.17426	1.4
255.21111	1.6
259.16904	12.0
261.14783	5.2
263.16318	5.7
265.19565	1.6
266.09857	1.4
267.11130	1.2
267.21027	4.2
268.11554	1.3
269.18954	1.8
269.22446	1.6
271.10541	1.2
271.20633	1.2
273.18494	5.4
273.21936	1.2
275.16306	1.7
277.18076	2.8
278.10190	1.3
279.11200	1.6
279.21103	2.0
280.11432	2.0
281.12131	1.3
281.22595	1.6
285.18350	2.8
299.19980	3.4
307.24182	3.9
309.25775	1.5
325.25333	3.7
341.14227	1.7
353.24670	3.4
363.26700	2.6
371.25656	11.5
373.28867	4.4
375.30426	4.2
381.27859	4.2
391.29938	23.3
392.30521	1.3
393.31516	5.6
399.28909	2.3
409.31009	28.2
410.31235	1.9
411.32544	3.3
419.29404	19.9
420.29532	1.4
421.30869	2.6
427.27911	2.5
427.32669	1.7
437.30438	51.1
438.30826	3.6
439.31903	3.8
445.29453	1.2
455.31531	100.0
456.32120	5.7
457.33340	2.0
465.30032	6.4
473.32620	35.8
473.39276	2.7
474.32901	2.4
475.47256	1.2
483.30927	9.2
501.31979	21.2
519.32788	2.3
523.16461	1.3
606.22986	1.7
635.37512	2.7
638.25476	4.4
666.25610	27.3
667.25610	2.7
698.28156	13.2
699.28369	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.3
55.05502	6.6
58.17402	1.2
67.05499	9.6
69.03416	3.0
69.07053	5.9
69.68298	9.2
69.68707	2.2
71.04974	1.5
79.05468	7.9
81.07045	15.2
83.08600	6.7
85.02891	8.3
85.06543	1.9
91.05440	11.4
93.07026	17.7
95.04932	2.2
95.08596	31.2
97.02864	2.7
97.06514	2.1
99.08047	8.7
105.07015	29.9
105.07716	1.8
107.08573	35.0
109.06504	3.0
109.10138	23.0
111.08073	2.9
117.07000	4.0
119.08563	58.6
121.06434	3.5
121.10125	25.7
122.10390	1.4
123.08041	3.8
123.11659	4.4
129.06979	2.4
131.08557	27.4
133.10101	30.5
135.08057	5.6
135.11687	15.7
137.06021	1.5
137.09612	5.1
142.07735	1.4
143.08545	16.5
144.09317	2.2
145.10103	36.3
146.10397	1.2
147.08066	2.4
147.11655	28.2
149.09569	3.3
149.13251	5.0
151.14803	1.8
153.09065	1.6
155.08543	2.1
156.09334	2.6
157.10095	16.4
158.10870	2.1
159.08075	1.8
159.11670	28.4
160.12454	1.3
161.09634	5.4
161.13228	16.6
163.07640	2.2
163.11227	1.9
163.14752	7.2
169.10127	6.0
170.10927	3.6
171.11630	14.2
172.12418	2.0
173.09598	2.1
173.13226	30.1
175.11121	2.6
175.14787	31.9
177.09158	2.8
177.12767	3.3
177.16359	5.2
179.14339	4.1
180.08618	1.9
183.11650	9.6
185.13232	27.5
187.14798	45.7
188.15121	1.6
189.12718	5.1
189.16338	6.3
191.14293	12.2
195.11726	2.2
195.13707	1.8
197.13252	9.8
199.14792	33.9
199.16481	2.5
200.15257	1.3
201.12595	1.9
201.16365	34.0
203.14278	19.1
203.17911	3.1
205.15854	5.6
209.13277	3.6
209.15247	1.4
211.14738	8.2
213.16330	27.9
214.16943	2.0
215.14314	4.2
215.17952	4.3
217.15909	4.0
219.13783	4.3
219.17271	6.4
220.62198	1.4
221.15292	2.3
223.14783	3.5
223.16913	3.4
225.16319	3.3
227.17932	4.9
229.15907	2.7
229.19499	3.1
231.13948	1.6
231.17218	3.0
233.13228	1.7
233.15414	5.1
235.13144	3.4
237.16490	1.8
239.17934	4.1
241.19489	2.9
243.13651	1.8
245.15378	13.2
247.16954	5.4
249.14740	18.2
251.18002	3.9
253.19539	4.7
255.20998	3.3
259.16907	22.0
265.19586	1.5
267.21048	7.9
269.19125	1.6
273.18506	2.8
299.19940	2.0
307.24185	5.7
309.25748	3.0
319.24207	2.3
353.24689	9.7
362.16089	1.4
363.26743	2.5
371.25864	1.8
373.28815	5.2
375.30295	4.6
381.27811	3.2
391.29938	34.9
393.31421	9.7
409.31064	21.5
411.32571	2.8
419.29407	23.4
420.29523	1.9
421.30927	4.0
427.32587	2.3
437.30463	69.7
438.30792	3.5
439.31876	2.8
455.31506	100.0
456.31961	4.5
465.30026	11.2
473.32523	30.7
483.30936	23.8
501.32147	20.1
579.29059	1.3
584.96167	1.5
618.93677	1.5
635.38708	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	698.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	23.5
57.03422	8.1
57.07059	11.1
61.02922	27.3
63.34071	2.3
64.39629	2.4
67.05497	39.5
69.03428	3.2
69.07056	43.6
71.08611	9.1
71.70347	3.1
71.70794	4.3
73.02895	6.2
76.68017	2.8
76.93916	2.4
79.05487	16.5
81.07043	41.1
83.08611	30.9
85.02897	28.7
85.10181	6.6
91.03940	25.4
91.05428	5.0
93.07031	19.9
95.08591	45.1
97.02874	14.9
97.06508	8.6
97.10155	23.2
99.08053	3.8
100.85472	3.0
107.08575	13.9
108.38433	3.4
109.10148	23.6
111.08057	7.8
111.11719	14.0
121.10136	28.1
123.11716	6.1
125.09633	3.6
125.13235	3.5
127.03898	12.3
135.11681	23.9
139.11169	3.9
145.04932	14.3
149.13205	13.5
151.14821	5.2
163.05980	24.3
163.14809	7.4
184.07278	4.2
247.24142	32.1
265.25232	98.7
283.26245	15.7
339.28909	100.0
357.29987	49.1
639.16498	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	698.5553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.0
55.05509	6.2
56.05012	2.0
56.81534	0.9
57.07056	3.3
60.04506	2.1
67.05493	9.6
69.07054	6.6
70.06576	1.3
70.95089	2.3
71.08628	4.1
79.05484	7.7
80.04986	2.3
81.05804	1.2
81.07043	9.7
82.06583	5.9
83.08601	3.1
85.02905	1.6
85.10149	2.8
91.05457	7.6
93.07034	8.7
94.05981	1.0
94.06554	18.9
95.04950	1.8
95.07320	3.6
95.08597	7.5
96.08105	3.8
97.06492	2.2
97.10147	2.5
105.07037	5.3
107.04907	1.0
107.08572	4.5
108.08086	3.0
109.10130	2.8
113.03694	0.8
119.08552	3.9
121.10110	2.9
122.09654	2.5
131.08577	1.0
133.10110	3.5
135.10455	1.0
135.11679	2.5
147.11661	1.6
160.78134	0.9
161.13281	1.1
174.91550	0.9
179.14253	1.4
208.61995	0.9
250.22951	0.8
250.25230	4.9
256.26349	4.1
262.25266	100.0
262.42825	0.9
263.25601	3.6
275.19937	2.8
277.21579	1.0
280.26318	7.9
490.42166	1.0
500.48114	8.6
502.49457	1.5
518.49237	15.6
587.38922	1.0
587.46716	9.6
680.54681	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	699.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71547	0.3
51.95257	0.3
53.03938	0.6
55.05500	1.1
57.03425	1.6
59.04976	0.6
61.02921	3.6
61.39538	0.4
67.05495	3.8
69.03413	2.8
69.07061	1.8
69.49926	3.5
71.01345	0.5
71.04982	1.1
73.02901	2.8
79.05485	3.5
81.03401	3.3
81.07048	3.3
83.04980	1.1
83.08619	1.1
85.02888	4.1
85.06557	0.6
87.04436	0.6
91.03940	2.4
91.05463	2.8
93.07027	3.9
95.04971	1.0
95.08610	1.6
97.02872	2.8
97.06536	1.3
97.10184	0.9
98.20728	0.8
99.04456	0.6
99.74791	0.4
101.02382	1.2
103.03989	0.7
105.07049	1.8
107.04960	0.8
107.08572	3.2
109.02865	0.9
109.06577	0.9
109.10149	1.0
112.69355	0.4
117.07007	0.9
119.08589	1.7
121.06534	0.5
121.10126	2.1
127.03918	1.2
129.07019	0.9
131.08562	1.1
133.10127	1.4
135.11667	3.5
145.10139	0.9
147.11720	0.8
149.09631	1.2
157.10167	0.9
175.11281	0.6
181.12222	0.7
193.12161	0.8
225.14795	0.5
243.08363	2.1
255.15887	0.5
267.15991	0.8
277.14252	0.6
283.15073	2.9
323.17993	0.7
439.19299	8.4
440.19849	0.7
455.98447	0.4
469.21100	0.4
501.22995	8.5
501.30133	0.6
502.23346	0.5
537.30658	0.5
560.26526	0.4
699.35504	100.0
700.35736	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	699.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.1
55.01861	7.4
55.05501	15.0
56.52442	0.7
57.03424	2.6
57.06795	1.0
57.07066	17.0
65.03925	0.8
65.35516	0.7
66.42322	0.7
67.05135	1.2
67.05492	23.4
69.03419	1.0
69.07057	14.2
69.37986	7.8
71.04984	2.0
71.08618	14.8
79.05479	23.0
81.03405	2.8
81.07040	22.9
83.04970	3.0
83.08611	10.7
85.06531	1.0
85.10155	6.2
91.05467	14.6
92.58852	0.6
93.07026	16.3
95.01330	0.8
95.04955	4.0
95.08591	16.9
97.06509	7.0
97.10152	7.0
98.21453	1.7
99.08087	2.3
103.49699	0.6
105.07011	16.4
105.07710	1.0
107.04938	11.0
107.08573	16.9
109.06504	3.0
109.10139	9.1
111.08069	1.8
111.11662	0.9
113.00001	13.2
116.30125	0.6
117.06995	5.1
119.08554	11.7
121.06479	1.2
121.10126	7.5
121.17192	0.6
123.08037	0.7
123.11697	2.5
124.21439	0.6
125.09611	3.0
125.29517	0.7
126.36169	0.6
128.06233	0.9
129.07001	1.6
131.08545	6.7
133.06462	0.8
133.10094	9.6
135.08031	2.1
135.11659	3.2
137.09602	1.0
142.62956	0.7
143.08516	1.5
145.06577	0.7
145.10101	6.6
147.01762	0.7
147.11652	6.1
149.09584	9.2
149.13275	1.6
151.11198	2.1
153.09085	1.6
155.08586	0.6
157.10115	1.7
159.11688	4.3
161.09557	0.6
161.13252	2.7
163.11171	4.4
169.02568	6.8
169.10075	1.5
169.12349	0.7
171.11685	1.9
173.11841	0.7
173.13266	2.4
175.11223	1.0
177.12711	1.5
179.14285	1.9
183.11690	1.5
187.11171	1.0
189.11230	1.1
201.12885	0.8
227.12823	0.8
229.19629	1.0
234.29497	0.8
237.22177	1.7
239.17900	1.5
239.23698	1.3
241.19769	0.7
257.18982	3.5
259.20499	1.0
275.20020	38.8
277.21521	6.2
289.71155	0.7
293.21008	4.0
311.25571	1.0
313.21790	1.0
313.27313	4.9
331.22531	1.2
349.23734	4.3
351.25366	0.9
407.25522	1.4
494.72589	0.8
569.46069	1.0
587.46582	100.0
588.46942	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.5
55.05497	13.3
57.03420	7.4
57.07067	24.3
57.12583	2.1
62.66526	2.1
67.05493	33.4
69.07065	14.7
70.90129	7.6
71.08300	2.3
71.08621	23.9
79.05481	38.5
81.03387	6.6
81.07042	30.3
83.04953	8.9
83.08620	10.6
85.10152	11.1
91.05473	30.5
93.07032	40.3
95.04978	16.4
95.08593	22.2
97.10144	7.4
105.07019	25.4
107.04885	2.3
107.08590	14.2
109.06499	3.8
109.10135	10.5
117.06973	5.0
119.08557	12.3
121.10107	4.4
121.86668	2.1
123.08058	3.5
123.11658	2.4
129.06979	8.5
131.08565	2.7
132.00468	2.0
133.10114	5.3
135.11671	3.0
143.08560	6.1
145.10089	5.9
147.08043	3.2
147.11662	24.8
161.13162	5.1
171.11662	14.9
189.12704	8.5
207.13770	26.3
248.79747	2.2
271.53708	2.2
281.17435	59.2
293.87219	2.1
313.23880	3.9
313.27319	53.2
313.30905	2.8
315.63431	2.0
494.59970	2.4
519.40405	100.0
520.40369	6.9
699.39783	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	700.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48462	1.3
53.03922	3.9
55.01864	2.1
55.05488	1.4
65.03911	1.7
67.05494	7.3
67.84319	1.3
68.49924	1.3
69.03397	5.5
69.07049	1.3
69.37796	1.3
69.70844	11.3
70.06584	1.8
71.04965	2.2
72.69476	1.2
73.02905	2.2
79.05476	5.1
80.04984	4.0
81.03402	14.0
81.07025	2.9
82.06553	2.5
85.02879	5.3
89.58091	1.3
91.05459	6.3
91.52637	1.5
93.05750	4.8
93.07029	11.3
94.06545	13.1
95.04955	4.4
95.07331	7.5
95.08578	3.6
96.08113	24.4
97.02866	4.0
97.06510	2.6
103.05413	3.5
105.07018	1.8
106.06542	2.3
107.07323	6.3
107.08553	2.5
108.04457	1.5
108.08089	33.7
109.02857	10.9
110.05986	2.1
110.08942	2.7
110.09658	36.3
118.06511	2.6
120.08082	34.8
121.06510	2.9
121.10137	2.4
122.05982	6.3
122.09642	16.4
123.06745	1.6
124.07560	3.9
124.75191	1.4
126.05358	1.6
127.03864	4.6
131.04869	2.2
131.08568	1.5
135.04440	2.1
136.07539	26.7
137.05945	3.0
138.05482	8.3
138.09114	50.8
144.04454	1.5
144.08034	1.7
145.10118	1.8
146.05984	4.6
147.04398	3.6
148.07538	15.1
150.09123	24.2
152.07022	4.1
154.08560	1.9
162.05479	2.6
162.09081	1.4
163.03860	5.5
163.07556	1.3
164.07001	2.3
165.05385	1.7
166.04984	5.4
166.08606	82.7
168.10193	2.1
172.03879	1.8
177.05557	2.3
188.06976	2.9
198.09224	1.8
199.08624	2.4
207.09058	1.9
209.10663	1.9
210.07681	1.8
211.08597	9.3
213.10213	5.3
216.19922	1.3
219.09068	2.3
220.09669	4.2
223.08664	7.1
225.10179	19.8
226.22285	1.4
227.08069	6.4
227.11572	2.4
232.09596	2.5
235.08531	1.9
237.10168	30.1
238.10814	2.2
239.08128	14.1
239.11723	6.9
240.08849	3.3
241.09695	10.2
246.11153	2.1
248.09317	1.7
249.10301	3.4
250.08557	2.0
251.08102	11.6
251.11920	2.1
252.08693	3.2
253.09654	36.5
254.10371	2.8
255.11317	7.5
260.09262	2.1
263.11865	1.6
265.09674	40.0
266.07742	2.1
266.10397	5.2
267.07678	6.2
267.11224	15.3
268.08249	2.3
268.12054	1.7
269.09155	5.0
269.12799	2.3
277.09491	1.8
279.07614	7.0
279.10959	2.8
280.08405	2.6
281.09161	38.7
283.10666	15.4
285.12393	1.6
287.10135	7.0
293.09134	32.0
293.12213	3.1
294.09836	5.2
295.10718	27.4
297.12247	3.7
299.10129	6.3
301.11765	2.0
307.10706	3.0
309.08652	11.6
311.10132	19.7
312.10770	2.0
313.11847	8.7
314.12390	2.1
321.08575	20.8
323.10141	3.2
325.11703	4.4
327.09723	5.6
339.09644	11.7
340.10202	2.0
341.11255	12.3
346.15686	1.6
353.11267	16.5
354.11823	2.1
355.13116	2.4
358.11481	2.0
358.15662	2.2
359.12418	8.1
367.12891	2.0
371.12491	9.9
372.17078	2.3
374.14874	1.6
381.10696	4.5
383.12537	1.9
384.13074	2.2
388.16641	1.9
397.13947	1.5
400.16360	2.1
401.13425	3.1
407.12103	2.7
409.13855	3.3
411.11417	1.9
413.13367	3.4
418.17603	4.1
419.12399	2.5
425.13214	5.9
428.15903	1.7
432.15161	1.6
435.11694	5.1
436.18719	1.5
437.13385	4.6
441.12778	3.3
443.14120	2.8
446.17072	6.3
447.11581	1.7
451.18008	1.7
453.12772	10.6
455.14383	5.5
465.12769	9.8
467.14304	8.6
471.13901	4.5
473.15350	4.9
474.16675	7.2
478.19736	2.8
483.14001	8.7
485.15463	71.6
486.15613	4.6
488.17996	2.8
492.17236	2.6
495.19452	5.4
497.15329	5.2
503.16556	16.9
506.19202	12.2
515.16541	9.7
517.18616	1.9
524.20154	4.1
534.18011	2.8
539.20691	1.6
566.20892	7.1
572.20050	4.5
586.21832	2.3
590.20801	4.3
596.21265	1.9
600.19440	13.3
604.22455	9.3
608.21906	4.6
614.22003	2.1
618.20746	12.1
622.23669	6.1
632.22253	23.6
636.11212	2.6
636.21710	48.0
637.21887	3.4
640.24854	7.7
650.23206	21.2
668.24371	100.0
669.24500	7.1
700.26959	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	700.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44469	1.4
53.03934	6.7
55.01852	3.7
55.05505	26.6
55.82972	1.3
57.03429	10.3
65.03946	2.4
67.05134	3.0
67.05495	60.6
69.03419	5.5
69.07055	15.3
69.53949	6.9
69.54367	4.9
70.48420	1.3
71.04974	5.2
79.05484	62.3
80.05815	1.4
81.03410	21.5
81.07044	48.2
81.91394	1.2
83.04969	15.4
83.08612	10.2
85.02883	6.7
85.06522	3.3
91.05466	55.7
91.06034	2.7
92.05767	1.4
93.07030	58.9
94.07351	2.0
95.04955	30.4
95.05544	1.0
95.08582	24.1
96.05308	1.8
96.08922	1.4
97.02893	2.9
97.06519	6.0
97.10154	11.9
98.21514	2.6
99.04474	2.0
103.05465	2.4
105.04448	1.5
105.07018	34.0
107.04935	15.5
107.08572	23.3
109.02787	1.5
109.06518	8.1
109.10129	12.1
111.04430	1.4
111.08054	3.7
113.06072	1.3
115.05459	2.3
117.06995	15.5
119.08556	20.2
121.06486	7.5
121.10101	7.0
123.08047	5.8
125.09612	7.3
127.03882	1.8
128.06204	1.7
129.06982	14.9
131.08560	10.1
133.06467	1.6
133.10098	12.8
135.08064	3.5
135.11652	3.9
137.09587	2.4
141.07007	3.1
143.08562	10.0
145.10086	11.8
147.08026	3.1
147.11662	26.7
149.09615	1.8
149.13234	2.5
150.78035	1.3
155.08603	1.8
157.10089	3.1
159.11688	7.8
161.09619	4.4
161.13203	6.8
163.11194	1.8
166.92807	1.2
169.10092	4.2
171.10220	1.7
171.11659	20.3
177.12782	6.5
183.11618	2.0
187.11197	3.7
189.11189	5.8
189.12592	6.4
205.12251	6.4
207.13777	22.7
223.13264	37.3
223.15340	2.7
227.12775	5.0
229.14259	7.6
258.17349	1.4
275.20135	3.2
279.15915	5.8
281.17453	46.1
297.16919	48.5
435.27386	21.2
451.26813	1.6
475.30850	2.5
485.28967	5.9
503.29980	100.0
504.30273	7.2
521.30920	1.5
539.33728	2.1
559.36530	2.3
570.43188	1.4
596.97168	1.6
642.79333	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.0
55.01868	2.3
55.05493	9.7
57.03429	4.4
57.07049	5.1
61.02926	2.9
62.76421	2.5
65.03930	3.3
67.05492	19.5
69.03410	11.5
69.07054	14.5
70.06577	4.0
71.04974	6.9
71.70637	3.2
71.71025	2.6
79.05482	23.2
81.03413	10.9
81.07034	38.7
83.04972	18.2
83.08604	3.1
85.02889	27.7
85.06526	5.5
86.09684	3.0
91.05468	32.9
93.07027	47.4
95.04967	12.6
95.08590	49.4
96.08895	2.3
97.02858	10.0
97.06512	8.7
97.10138	3.2
99.04444	3.3
99.08076	40.0
103.05440	4.1
105.07004	74.6
106.39095	2.0
107.04958	2.7
107.08574	81.5
109.02849	6.4
109.06511	10.6
109.10127	22.2
110.06022	5.0
111.04404	11.3
111.08054	7.8
114.15475	2.1
115.05420	4.1
117.06994	13.9
119.04915	5.0
119.08557	100.0
120.08083	4.2
120.08903	4.5
121.02981	2.8
121.06480	9.5
121.10118	37.4
122.05969	2.6
123.08038	12.8
123.11668	7.3
125.09630	5.5
127.03876	7.7
128.06187	4.1
129.06947	7.9
130.07745	2.3
131.04929	3.4
131.08548	75.8
133.06416	4.9
133.10109	55.7
135.04355	2.6
135.08040	7.5
135.11661	19.5
136.07535	3.0
137.05980	17.7
137.09583	5.3
138.05460	9.6
138.09122	7.2
141.06912	2.5
142.07756	7.5
143.08524	24.6
144.09308	4.0
145.02840	4.3
145.04909	4.1
145.10100	64.4
147.04385	21.2
147.08037	3.6
147.11652	58.5
148.04770	3.5
148.07492	2.4
149.09596	8.4
149.13217	22.0
151.03828	5.4
151.07602	3.4
151.11195	3.7
155.08522	7.3
156.09326	6.4
157.10092	35.6
158.10832	3.4
159.08032	2.6
159.11667	51.8
161.05977	3.1
161.09590	9.1
161.13222	31.0
162.07620	5.1
163.03877	5.8
163.11143	6.7
163.14822	13.4
166.08653	14.0
167.07014	6.3
167.08554	3.9
169.10141	12.6
170.10854	6.0
171.11641	28.9
173.09541	2.9
173.13226	53.0
175.07510	2.5
175.11200	6.6
175.14809	37.4
176.15051	5.6
177.05478	14.0
177.12712	5.1
177.16422	8.7
179.07010	3.3
179.14291	7.6
180.08640	4.6
181.04875	4.2
181.08553	2.3
181.10075	2.7
183.11664	13.8
183.55774	2.2
184.07297	3.5
185.13196	26.8
187.14793	70.6
188.15115	2.4
189.09096	3.0
189.12759	4.0
189.16344	12.7
191.14272	25.8
193.12248	2.5
193.15845	3.5
195.11594	4.8
196.12494	3.1
197.13249	18.7
199.14783	27.8
201.12733	3.7
201.16365	50.4
203.14256	24.0
203.17888	4.4
204.06508	4.2
205.15845	20.1
207.11699	3.6
209.13245	5.9
211.14815	19.2
213.16348	11.4
215.14243	8.9
215.17964	6.4
217.15852	22.8
219.09901	2.9
219.17360	20.0
221.15308	28.8
223.14853	4.2
225.16362	6.5
227.17868	5.0
229.15822	11.0
231.17393	4.4
235.14832	2.6
235.16957	8.4
237.16373	4.6
239.17909	3.4
241.19525	3.0
243.11331	3.6
243.17432	6.2
251.16238	3.2
263.16235	4.2
264.08542	4.3
283.20407	2.6
285.12457	3.7
333.25488	2.5
339.26794	2.8
349.25189	6.4
351.27063	2.8
363.26688	8.9
365.28452	11.3
367.26337	2.9
385.28580	3.3
387.30359	3.8
391.29962	5.8
393.31464	6.7
395.33075	4.9
397.10010	2.8
403.29916	19.3
405.31445	14.7
411.32681	3.6
421.30908	32.7
423.32574	41.2
437.30798	2.9
439.32138	12.9
441.33691	15.0
449.30319	14.3
457.32999	74.6
459.34665	5.2
467.31512	39.7
468.31595	2.9
475.33994	19.2
485.32675	16.2
503.33368	7.7
525.54291	2.3
699.98322	2.7
700.36835	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	700.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02677	0.7
55.05506	5.2
57.03421	3.3
57.07065	35.1
61.02918	15.5
67.05494	12.3
68.34426	0.8
69.03419	1.3
69.07044	7.4
71.08617	34.6
71.71944	1.5
73.02895	4.8
75.04466	2.1
79.05489	1.2
81.03384	1.3
81.07047	16.3
83.08605	10.3
85.02891	16.9
85.10167	17.1
89.05994	1.0
91.03945	12.7
91.05470	1.0
93.07014	1.8
95.08004	1.3
95.08594	21.0
95.48926	1.0
97.02872	8.6
97.06515	0.9
97.10149	9.7
99.11742	1.2
107.08569	1.5
109.02890	1.0
109.10129	12.7
111.11686	4.4
123.11673	6.4
127.03893	5.0
137.13271	2.0
145.04904	7.0
163.06001	13.1
184.07405	1.3
249.25702	2.0
267.26779	21.2
285.27890	2.5
326.30231	1.0
341.30441	100.0
342.30878	3.1
359.27209	1.6
359.31522	27.3
700.44849	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	701.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85164	2.2
53.03935	16.6
55.01854	9.3
55.05234	2.9
55.05501	38.5
57.03429	19.5
57.07076	3.6
61.02917	17.7
65.03922	6.1
67.05495	76.5
69.03422	45.5
69.07063	24.9
69.42294	22.2
71.01341	3.3
71.04984	13.8
73.02901	12.4
77.03908	3.0
79.05018	3.7
79.05482	72.8
81.03405	87.7
81.07043	67.8
83.04968	25.1
83.08609	14.6
85.02900	25.7
85.06503	6.3
86.59965	2.0
91.03910	7.2
91.05465	74.1
91.06034	4.1
93.07030	75.1
95.04953	21.1
95.08590	53.2
95.09196	3.1
97.02874	37.7
97.06532	7.6
97.10142	6.0
98.20656	4.1
99.04424	11.8
99.08080	3.7
101.02369	5.0
103.05444	3.6
105.07013	63.0
107.04918	13.3
107.08579	28.8
109.02852	13.8
109.06513	9.2
109.10155	16.3
111.04436	3.8
111.08069	6.3
115.05444	7.2
117.07006	33.1
119.08562	42.1
121.06493	6.4
121.10134	22.5
123.08049	9.3
125.09603	4.2
127.03885	16.5
128.06187	9.9
129.05469	10.7
129.06981	35.4
130.07750	2.7
131.08542	34.8
133.06491	8.0
133.10097	26.6
135.08043	6.4
135.11658	13.0
137.09616	6.7
139.07541	2.8
141.06949	16.4
142.07767	6.0
143.08542	34.2
145.06462	6.7
145.10107	38.9
147.08046	4.2
147.11655	22.0
149.09625	4.0
149.13219	5.2
153.06985	6.0
154.07806	3.0
155.08511	26.9
157.06552	3.0
157.10109	29.8
159.07980	4.0
159.11644	21.1
161.09599	4.0
161.13254	12.8
163.11162	3.4
165.06937	4.9
167.08543	16.2
168.09305	3.3
169.10097	31.1
170.10985	2.1
171.08041	4.6
171.11653	29.0
173.04436	29.4
173.09607	4.2
173.13268	12.5
175.11200	2.6
175.14836	3.4
177.12762	3.1
178.07732	2.3
178.51012	2.1
179.08556	6.4
181.10066	22.8
182.10806	2.4
183.11658	27.2
185.09622	6.7
185.13237	16.0
187.11192	4.2
187.14824	4.1
189.12798	7.3
193.10147	10.0
195.11674	17.2
196.12251	2.5
197.09532	2.5
197.13200	15.2
199.05972	4.5
199.11143	5.6
199.14864	7.5
201.12831	2.8
203.08763	2.1
205.10164	4.9
206.10947	2.5
207.11684	10.8
207.13797	7.9
208.12378	2.1
209.13275	11.5
211.14839	8.5
213.12730	3.1
219.11707	4.6
221.13271	7.6
222.13930	2.2
223.11259	2.5
223.14856	10.4
225.16415	5.6
227.14360	2.8
233.13226	4.0
235.14830	8.2
237.16394	4.4
241.19473	3.4
243.11758	2.3
247.14870	4.3
249.16344	4.7
251.17929	3.9
257.18896	2.8
259.20609	7.4
269.19070	3.1
279.15958	6.0
281.14670	2.7
281.17313	13.5
291.21045	2.7
297.22308	3.1
299.20139	4.5
307.20477	3.4
309.22058	3.8
313.21545	3.0
321.22180	4.9
323.23691	3.6
325.21561	2.2
333.24591	3.9
335.23477	2.3
337.21469	2.6
339.23154	4.1
343.22620	3.2
349.21390	3.4
351.23166	3.2
367.22604	4.0
379.26544	2.2
385.23932	2.8
429.31470	3.4
437.34296	2.8
445.30933	2.3
447.32690	22.4
465.33597	10.5
483.34738	5.0
513.35742	5.1
519.34619	2.1
521.36316	10.6
527.36139	3.1
529.38770	5.0
537.35199	5.9
539.37280	100.0
540.37793	6.2
541.38721	5.2
545.35956	2.6
551.36926	3.4
555.34949	2.0
557.38635	13.7
581.38153	5.5
591.37000	4.1
609.37836	2.5
626.14539	2.6
637.41284	2.5
647.39362	5.1
665.40521	5.5
683.41370	11.6
701.42462	89.9
702.42596	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	702.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.01874	0.9
55.05491	2.9
57.03433	3.6
59.04984	1.3
61.02912	0.8
65.03905	1.2
67.05490	2.0
69.03419	18.2
69.93043	1.6
69.93465	2.2
70.06564	1.9
71.04971	2.8
73.02895	1.7
75.04464	3.9
79.05480	24.0
81.03403	14.2
81.07044	4.7
83.04967	1.4
84.08157	0.7
85.02893	15.1
86.09704	0.9
87.04457	5.1
87.96212	0.7
91.05464	12.1
93.07030	77.5
94.07365	1.8
95.04953	6.0
95.08578	3.2
97.02875	15.7
98.20795	1.4
99.04414	2.3
105.07016	7.6
107.04942	1.3
107.08576	27.9
109.02859	7.4
109.06519	1.7
111.04417	2.1
111.08058	2.2
115.03913	4.0
117.06954	0.8
119.04971	1.7
119.08558	10.0
121.06515	2.1
121.10126	100.0
122.10458	1.5
123.04481	1.1
123.08045	1.9
123.11649	1.6
125.06030	1.0
127.03895	7.1
129.05461	1.7
131.08543	5.9
133.04951	3.6
133.06406	0.9
133.07622	0.9
133.10069	0.8
135.07994	1.0
137.05977	1.4
139.11162	4.0
145.04941	3.9
145.10065	0.8
147.04417	2.1
147.06494	0.6
147.08041	0.8
149.05884	1.0
149.09593	29.8
151.03914	1.0
159.11699	0.9
161.09657	1.1
163.03865	1.8
163.11185	1.1
165.09132	1.4
167.10652	40.4
168.10970	1.2
173.09698	0.9
175.03937	1.0
175.11049	0.8
177.05458	0.8
179.06895	0.7
191.10622	1.9
197.08157	0.9
207.06531	4.0
211.13260	1.7
275.12793	2.5
283.15375	2.1
293.13754	15.1
293.16922	0.9
311.14847	69.4
312.06812	0.7
312.15128	2.5
373.18408	3.8
407.16855	1.3
443.19373	1.0
473.20074	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.1
56.05025	0.7
57.07054	0.2
58.06312	0.2
58.06619	0.6
58.35740	0.1
59.07384	0.2
60.08154	6.6
61.38929	0.1
62.97935	0.1
63.53367	0.1
67.05478	0.2
68.76775	0.1
70.06546	0.1
71.07361	3.2
79.05457	0.1
80.42940	0.1
81.07054	0.1
86.09692	31.4
87.10020	0.2
91.05471	0.2
93.07033	0.2
95.04963	0.1
95.08566	0.1
98.20693	0.2
98.98447	3.2
104.10722	2.9
105.07018	0.1
116.99493	0.1
119.08559	0.1
124.99982	20.6
143.01050	0.5
166.02638	0.3
176.00093	0.1
184.07314	100.0
185.07683	0.6
234.75160	0.1
464.23895	0.1
496.33902	0.2
519.40198	0.1
702.46930	6.0
703.47168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.3
55.01865	6.3
55.05504	21.5
56.05855	0.9
57.03433	6.6
57.07056	1.9
61.02919	9.4
62.50072	1.0
65.03911	1.2
65.80378	0.9
67.05497	28.5
69.03419	17.1
69.07059	11.3
70.06255	4.7
71.01321	0.9
71.04973	6.2
73.02915	5.2
79.05028	1.5
79.05483	23.8
81.03407	25.0
81.07047	25.9
83.01321	1.6
83.04980	7.8
83.08607	11.2
85.02895	12.0
85.06528	2.2
91.03935	4.3
91.05463	22.2
93.07030	21.4
94.07354	1.0
95.04951	10.1
95.08603	14.8
97.02882	15.3
97.06522	3.4
97.10158	11.0
99.04437	3.8
103.05471	1.3
105.07018	18.9
107.04941	4.1
107.08578	15.4
109.02884	5.0
109.06493	4.4
109.10127	9.1
111.04427	3.1
111.08077	3.5
113.06031	1.3
115.05396	1.6
117.07010	13.5
119.08556	14.1
120.08958	1.1
121.06487	3.1
121.10098	6.4
123.08057	3.1
123.11681	1.2
125.05968	1.0
125.09624	11.4
127.03903	6.2
128.06230	3.8
129.05481	2.1
129.06990	13.1
131.08548	15.5
133.06487	2.3
133.10130	9.7
135.08032	5.1
135.11661	4.3
137.09610	1.5
141.06972	5.8
142.07762	2.6
143.08551	13.2
144.09315	1.0
145.06467	3.4
145.10104	12.6
147.08040	1.8
147.11661	4.1
149.09599	1.8
149.13264	1.5
153.06947	2.4
153.09074	1.8
153.12724	2.6
154.07722	2.1
155.08530	8.8
156.09415	1.5
157.06471	1.6
157.10109	12.4
159.08038	2.4
159.11676	7.8
161.09590	2.1
161.13196	2.3
161.52379	1.0
163.11195	3.4
165.06995	1.4
167.08578	4.9
169.10101	7.7
171.08072	3.3
171.11636	9.3
173.04460	8.8
173.09621	2.9
173.13248	5.9
175.11171	1.9
175.14899	1.0
179.08566	3.1
180.09335	1.3
181.10094	5.8
181.12260	1.6
183.08148	2.0
183.11639	9.9
185.09589	2.7
185.13223	6.2
187.11171	1.5
187.14830	1.8
189.11168	6.7
191.10623	1.5
192.09348	1.6
193.10110	2.3
193.12086	1.4
194.10936	1.1
194.13217	0.9
195.08109	1.5
195.11673	4.8
197.09660	1.7
197.13239	5.7
199.11223	2.4
199.14799	2.2
201.12793	1.7
201.16315	1.0
205.10179	1.8
207.11676	3.2
209.09612	1.0
209.11549	1.1
209.13237	4.9
211.14801	2.9
213.12639	2.2
221.13290	2.8
223.11279	1.0
223.14799	3.1
225.12807	1.5
225.16467	1.3
227.12732	11.1
233.13083	1.1
235.11243	1.2
235.14885	1.2
237.16359	1.7
245.13638	1.4
246.13908	1.1
249.16534	1.3
255.17380	1.3
257.18976	1.5
259.20493	2.4
267.68179	1.4
271.20499	1.6
273.18594	2.8
275.20105	1.9
281.18979	1.1
283.15378	2.8
291.19601	3.1
295.20639	1.6
297.18652	1.5
297.21982	8.7
299.19751	1.0
307.20642	1.1
313.21451	1.6
315.23157	2.8
321.21976	1.1
325.21240	1.5
337.21677	1.8
344.07452	1.0
367.22705	2.0
403.29764	1.1
421.31110	1.2
431.29251	4.6
449.30447	8.5
459.27551	1.2
467.31375	4.2
485.32843	2.7
513.35425	1.6
523.34137	11.0
539.33344	2.2
541.35175	100.0
542.35754	4.6
559.35901	4.8
583.35962	3.0
646.11578	1.2
649.37402	1.5
667.38214	3.8
685.39209	5.2
703.40472	26.0
704.40094	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.6
55.01865	7.2
55.05507	26.2
57.03435	7.6
57.07054	2.3
59.04982	1.1
61.02926	8.7
65.03925	1.8
67.05497	31.9
69.03422	19.5
69.07059	13.3
71.01323	1.5
71.04973	4.8
73.02917	5.3
79.05487	32.5
81.03402	35.3
81.07047	27.7
81.07536	1.4
83.01333	1.1
83.04967	10.8
83.08615	13.4
83.55103	0.9
85.02896	14.4
85.06532	2.8
91.03947	4.1
91.05470	28.7
93.07037	28.1
94.86880	1.2
95.04970	10.6
95.08600	16.9
97.02885	14.3
97.06503	4.7
97.10150	14.9
98.21529	2.3
99.04464	5.6
99.08073	1.2
101.02364	2.2
103.05453	2.6
105.07012	19.3
107.04944	7.7
107.08572	18.2
109.02853	7.1
109.06508	6.8
109.10154	10.0
111.04429	4.7
111.08054	4.3
115.05429	3.4
117.06992	16.3
119.08568	17.6
121.06476	3.8
121.10125	9.8
123.08061	3.3
123.11716	3.2
125.09615	12.1
127.03891	5.2
128.06219	4.3
129.05482	1.7
129.06982	13.0
130.07765	1.8
131.04932	1.9
131.08540	21.2
133.06473	4.0
133.10101	10.3
135.08041	5.7
135.11681	6.7
137.09570	2.3
139.07558	1.2
141.06966	6.3
142.07761	4.0
143.08556	14.9
145.06467	4.1
145.10081	16.9
145.73262	1.0
147.08017	3.3
147.11642	8.4
149.09599	3.1
149.13298	1.3
153.06966	3.0
153.09029	2.5
153.12738	3.6
154.07721	2.8
155.08542	9.7
156.09303	1.5
157.06479	2.8
157.10109	13.2
159.08022	2.4
159.11676	12.0
161.09584	3.2
161.13239	3.0
163.11168	7.0
165.06926	2.4
166.07762	1.4
167.08536	4.3
169.06482	1.1
169.10094	10.7
171.07988	2.7
171.10263	1.4
171.11664	9.5
173.04434	18.6
173.09604	4.3
173.13191	5.5
175.11203	2.5
175.14656	1.2
176.01433	1.1
179.08502	2.6
180.09343	1.2
181.10110	7.0
181.12170	2.6
183.08058	2.4
183.11670	10.6
185.09586	2.8
185.13231	8.1
187.11200	2.3
187.14740	2.1
189.09550	1.3
189.11177	7.3
189.12723	1.7
191.08453	1.3
191.10657	2.5
193.10114	2.7
195.11682	5.8
196.47778	1.2
197.09572	2.8
197.13228	6.0
199.11131	3.2
199.14789	4.4
201.12680	1.8
205.10118	1.6
207.11665	2.8
209.09648	1.8
209.11507	2.0
209.13281	3.8
211.11115	3.1
211.14851	2.5
213.12729	2.3
213.16277	1.3
217.15688	1.3
219.11720	1.3
219.13750	1.0
221.13231	3.0
223.11147	2.1
223.14864	2.1
223.16867	1.2
225.12718	3.3
225.16383	1.6
227.12744	15.3
235.14906	1.8
239.14175	1.8
239.17950	1.1
241.19484	1.4
245.13655	1.7
257.18900	2.8
259.20526	3.1
261.16309	1.5
263.17810	1.6
271.20319	1.4
275.20044	3.4
283.15381	4.6
291.16592	1.2
291.19467	5.6
295.20499	1.7
297.22055	8.0
299.20081	1.7
311.20273	1.0
313.21786	1.3
315.23212	2.9
321.22159	1.2
325.21536	1.3
333.24307	2.3
337.21570	2.3
338.96716	1.0
339.23123	1.9
349.21506	1.8
367.22607	3.0
413.27612	1.4
421.30905	2.3
427.19748	2.5
431.29303	5.1
449.30542	9.1
459.27023	1.4
467.31448	6.4
485.32431	2.1
513.35614	2.6
523.33978	15.5
539.32343	1.5
541.35193	100.0
542.35376	3.8
547.34509	1.1
553.34857	1.4
559.36292	3.4
565.34955	2.7
583.36090	3.3
649.37183	3.3
667.37830	4.5
685.39081	9.9
703.40399	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02343	2.2
53.03943	15.2
54.40509	1.9
55.01853	7.3
55.05506	29.5
57.03435	20.0
57.07060	5.4
65.03922	6.9
67.05495	91.9
67.57615	1.8
68.05824	3.0
69.03424	32.3
69.07051	22.4
70.28030	3.0
70.28429	6.1
71.04988	10.2
71.08625	2.0
73.02888	2.9
73.06556	2.2
79.05485	99.0
81.03409	53.9
81.07047	85.9
81.07421	1.1
81.07542	2.6
83.04973	25.2
83.08607	13.2
85.02889	18.7
85.06542	3.1
86.09693	8.2
87.04446	3.2
89.06013	2.5
91.05466	84.0
93.07033	100.0
94.07352	2.1
95.04962	30.8
95.08592	54.7
97.02883	11.5
97.06530	9.1
97.10112	5.0
99.04448	6.8
101.02299	3.1
103.03896	3.5
103.05468	4.3
105.04498	2.1
105.07018	59.9
107.04962	14.6
107.08582	37.8
109.02861	8.0
109.06504	8.7
109.10134	19.1
111.04446	4.4
111.08075	4.3
115.05437	5.5
117.07010	29.6
119.04960	2.3
119.08576	37.3
121.06492	9.1
121.10128	24.4
123.04394	2.8
123.08035	8.5
123.11690	3.7
125.00015	5.3
127.03898	8.5
128.06215	5.6
128.08853	1.9
129.05479	4.6
129.06995	28.8
131.04918	7.3
131.08556	27.1
133.06511	10.5
133.10100	17.6
135.08041	5.1
135.10786	2.5
135.11656	14.0
141.06953	5.4
143.08586	17.0
145.06444	6.8
145.10103	18.3
147.08035	6.5
147.11668	25.9
149.09567	3.1
149.13237	7.9
155.08533	6.0
157.06470	5.6
157.10150	8.1
159.08057	5.2
159.11690	13.7
161.09595	4.9
161.13242	12.5
163.14748	3.4
166.07835	2.3
167.08498	4.5
169.10101	7.2
171.08008	5.9
171.11664	22.2
173.04419	7.4
173.09613	4.1
173.13214	9.5
175.07471	2.9
175.14803	3.8
177.12698	3.3
179.14204	3.0
181.10098	3.8
183.08078	2.4
183.11650	4.8
184.07339	24.4
185.09578	2.7
185.13239	5.2
189.12700	8.3
194.10730	2.2
195.11681	3.8
197.13272	3.7
199.14806	4.0
203.14310	2.4
207.13754	21.4
209.13107	2.5
223.14864	3.5
225.14838	4.7
231.13821	2.5
237.12656	2.1
241.15886	3.1
243.21144	2.3
251.14250	2.8
259.16907	6.0
261.22116	5.5
269.15317	6.0
273.18329	2.3
281.17468	17.7
287.16339	13.6
305.17471	4.3
316.27078	1.9
333.17059	3.0
335.25778	56.2
336.26089	2.2
361.20050	4.5
407.20416	2.1
425.21707	8.0
486.49573	2.6
541.38879	42.0
542.39386	2.6
621.40948	3.6
685.42352	3.2
703.43329	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	703.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	2.0
53.03940	16.3
55.01868	9.1
55.05268	2.7
55.05505	30.8
57.03426	21.3
57.07051	2.9
61.02907	1.5
65.03934	6.2
67.05496	100.0
68.05825	1.7
69.03420	35.5
69.07058	23.0
71.01349	1.6
71.04987	8.9
71.72240	1.9
79.05485	97.1
81.03407	58.2
81.07047	89.2
83.04984	22.0
83.08613	15.9
85.02890	20.3
85.06528	3.6
86.09680	4.7
87.04413	1.8
89.05993	1.9
91.05466	82.9
92.05804	1.9
93.07033	99.8
94.07388	2.2
95.04962	30.2
95.05544	1.1
95.08591	66.1
97.02891	10.1
97.06524	6.5
97.10155	5.8
99.04441	9.3
101.02379	2.3
103.05450	3.7
105.07017	60.9
107.04946	10.9
107.08580	36.3
109.02861	7.7
109.06489	7.9
109.10145	18.9
111.04437	6.1
111.08052	3.5
115.05449	5.4
117.07005	29.6
119.08573	36.1
121.06481	6.3
121.10125	27.3
123.04411	3.9
123.08043	10.7
123.11700	5.5
124.99991	3.8
125.09595	2.5
126.85851	1.7
127.03915	9.7
128.06221	6.6
129.05476	5.7
129.06982	23.7
131.03412	2.6
131.04932	4.5
131.08548	28.9
133.06494	7.5
133.10129	20.4
135.08067	6.0
135.11684	13.5
137.05911	1.9
137.09589	3.1
141.06998	7.7
142.07751	2.5
143.08536	21.7
145.05048	1.6
145.06477	11.0
145.10109	20.0
147.08023	8.1
147.11678	28.8
149.05957	2.2
149.13272	8.2
149.14282	1.6
153.06982	2.6
155.08528	3.6
157.06441	5.3
157.10126	7.3
159.08035	5.0
159.11684	11.5
161.05931	2.6
161.09686	3.6
161.13206	11.7
163.11200	3.6
163.14752	2.4
167.08551	5.7
169.10150	4.3
171.08040	5.1
171.11687	24.2
173.04469	8.6
173.05873	1.8
173.09593	3.0
173.13246	7.2
175.11185	2.5
175.14815	4.6
177.12717	2.0
181.10098	4.3
183.11603	4.3
184.07341	18.6
185.13237	6.0
187.14799	3.3
189.12752	7.7
197.13217	2.2
199.14804	3.1
203.14325	2.9
207.13763	18.4
209.13246	2.5
211.11024	1.9
211.14702	1.7
215.14363	2.2
223.14789	3.4
225.14828	2.9
231.13745	2.2
241.15916	4.6
243.21170	3.5
249.18877	2.1
251.14429	2.8
259.16916	5.0
259.20493	1.9
261.22119	8.0
269.15366	7.0
271.16885	2.9
279.15991	2.1
281.17422	16.5
287.16364	16.9
305.17389	2.4
333.17093	1.8
333.24216	1.9
335.25775	80.4
336.25952	1.9
342.64294	1.6
351.18332	1.9
360.35016	1.8
361.19952	3.9
379.20944	2.7
407.20615	3.1
425.21881	8.0
541.38837	44.1
542.39105	1.9
555.39838	1.8
588.87445	1.7
621.41565	3.9
685.43677	3.2
703.30859	2.3
703.43036	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	703.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	3.7
53.03931	12.4
55.01854	8.6
55.05507	33.6
57.03430	19.2
57.07052	4.6
61.02916	1.9
65.03912	5.8
67.05145	4.6
67.05498	92.4
69.03422	27.4
69.07066	27.0
70.02882	11.8
71.04973	7.8
73.06516	2.0
79.05486	93.7
81.03408	44.8
81.07047	90.4
81.07536	3.4
83.04979	22.1
83.08614	12.1
85.02895	19.7
86.09692	3.3
91.05469	75.3
93.07034	100.0
94.64977	1.7
95.04954	24.8
95.08592	56.0
97.02892	11.1
97.06508	5.7
97.10134	4.7
98.78849	1.9
99.04444	4.2
99.08064	2.2
103.05415	2.1
105.07018	51.5
107.04935	13.3
107.08584	39.9
109.02853	6.2
109.06486	6.3
109.10134	21.2
111.04414	4.3
111.08075	6.1
113.00005	5.1
115.05447	5.2
117.07013	22.0
117.90286	1.7
119.04898	1.9
119.08561	31.1
121.06475	6.1
121.10139	25.3
123.04398	2.9
123.08045	5.5
123.11691	6.5
124.99990	3.4
127.03868	8.2
128.06223	2.4
129.05515	4.4
129.06973	23.3
131.04878	2.2
131.08546	26.7
133.06458	7.6
133.10110	19.9
135.08032	4.6
135.11646	12.8
137.09590	2.0
141.06944	3.8
142.07950	2.3
143.08565	15.6
145.06462	6.3
145.10109	20.1
147.08041	6.0
147.11681	24.7
147.44450	1.9
149.05884	2.1
149.09590	4.1
149.13268	4.7
155.08580	6.2
157.06456	3.9
157.10094	7.5
159.08054	3.8
159.11673	11.0
161.09583	4.7
161.13229	14.1
163.11156	2.4
163.14767	2.5
167.08611	5.0
169.10089	8.5
171.07983	3.8
171.11676	21.8
173.04489	5.1
173.13234	8.8
175.07596	3.3
175.14735	2.2
176.51036	2.6
181.10089	4.0
183.11618	6.1
184.07350	11.1
184.08699	1.9
185.09566	3.1
185.13258	5.5
187.14771	5.1
189.12689	7.5
195.11589	3.5
197.13211	3.4
199.14748	3.5
203.14326	2.3
207.11804	3.5
207.13698	16.3
209.13327	2.1
211.14743	3.1
219.13834	2.0
221.13222	1.8
223.14673	2.3
241.15799	4.2
251.14365	3.5
257.15173	2.0
259.09915	2.0
259.16876	5.6
261.22168	7.1
269.15332	5.6
281.17435	20.1
287.16315	13.1
333.17105	2.3
335.25745	70.3
361.20035	4.5
425.21539	6.2
465.32462	2.0
541.38831	46.8
542.38843	2.1
545.22742	2.1
591.43878	9.5
685.42535	3.5
703.43597	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	704.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01667	0.5
55.01871	4.7
55.05504	13.8
57.03160	0.6
57.03433	10.6
57.07056	0.7
58.12533	0.6
59.04987	1.2
61.02926	1.4
63.40442	0.6
65.03927	1.4
67.05496	18.0
69.03417	3.3
69.07064	5.6
71.01338	0.9
71.04995	4.4
71.71027	1.0
73.02930	0.7
79.05483	20.1
81.03407	49.5
81.07044	16.3
83.01321	3.5
83.04971	9.9
83.08612	13.1
85.02887	5.2
85.06544	1.1
91.05468	17.9
93.07035	19.5
95.04953	17.5
95.05576	0.6
95.08591	8.9
97.02882	3.1
97.06511	4.1
97.10149	6.2
97.66764	0.5
97.67439	0.5
99.04461	1.5
105.03356	0.6
105.07020	13.6
107.04946	8.7
107.07856	0.4
107.08575	11.3
109.02882	1.5
109.06510	4.5
109.10133	4.1
111.04425	3.4
111.08074	4.7
113.05978	0.6
115.05402	1.0
116.06151	0.5
117.07011	6.0
119.04913	1.2
119.08566	11.2
121.06475	5.3
121.10110	7.0
123.04406	1.5
123.08057	6.2
125.05973	1.0
125.09637	4.5
127.03964	0.6
128.06206	0.7
129.06995	6.3
130.07750	1.0
131.04912	1.5
131.08546	7.2
133.06471	3.0
133.10129	4.2
135.04399	0.9
135.08076	2.6
135.11649	5.7
137.05989	1.2
137.09608	2.2
142.07759	1.1
143.08548	1.8
145.06476	2.4
145.10106	10.1
147.04372	1.3
147.08012	3.4
147.11674	4.6
149.05930	0.8
149.09608	3.6
151.11177	0.9
153.09120	1.0
153.12718	2.9
153.23409	0.6
155.08537	1.8
157.06509	1.0
157.10114	5.2
159.08063	1.0
159.11639	1.2
161.05980	3.9
161.09612	1.6
161.13254	0.9
163.03931	0.8
163.11162	11.1
169.10120	1.0
171.08040	1.2
171.11617	1.0
172.03873	1.4
173.05989	0.9
173.09569	4.0
175.11159	4.2
181.12238	1.8
183.11577	0.7
184.07336	2.4
185.09621	0.8
185.13214	1.2
187.11092	1.0
189.09152	1.9
189.11258	1.6
191.10709	2.4
193.12236	10.4
195.08151	0.6
195.11708	1.0
203.14359	0.9
204.06552	1.7
205.12273	1.7
207.13780	1.1
209.11676	4.2
211.11313	1.1
211.13251	1.5
213.12750	0.5
214.18108	0.6
225.12787	1.0
227.12709	3.6
229.12445	0.7
231.13788	1.3
243.13847	1.2
249.14827	1.3
256.63031	0.6
265.14441	1.3
267.15872	29.8
268.16333	1.0
269.15356	1.5
271.13223	1.3
273.14847	2.3
281.17432	1.2
283.15372	25.8
289.14365	3.3
295.17056	0.5
319.20544	0.7
337.21817	0.7
347.14307	1.1
347.20081	0.7
355.22586	2.2
365.20987	3.3
372.16046	1.3
383.17163	1.2
383.22128	19.7
384.22617	0.7
401.23236	9.6
419.24335	2.2
431.24225	2.2
439.24567	2.4
457.25781	29.4
458.26181	1.0
475.26871	100.0
476.27203	3.2
489.28372	1.5
493.27921	8.4
507.29428	2.4
517.27771	1.2
541.27838	0.9
542.35828	0.6
582.17139	0.6
704.37714	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05012	0.7
57.07053	0.3
58.06585	0.5
59.46442	0.2
60.08155	6.3
61.36057	0.2
67.05486	0.7
67.11631	0.2
69.07025	0.2
70.63433	0.2
71.07355	3.4
81.07050	0.5
86.09690	32.2
89.06008	0.4
91.05444	0.3
93.07024	0.4
95.08606	0.4
98.98445	3.1
99.26419	0.2
104.10715	2.8
107.08547	0.3
117.06940	0.3
124.99981	21.9
127.90083	0.2
135.11673	0.3
143.01015	0.5
166.02695	0.3
184.07310	100.0
185.07669	0.8
193.40526	0.2
370.55115	0.2
450.48050	0.2
704.44769	9.0
705.44623	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.0
61.02918	1.4
65.03146	0.4
65.72125	0.4
69.03416	3.4
70.00359	0.9
70.00766	2.1
73.02905	2.1
85.02899	6.0
87.04457	0.5
91.03941	1.3
97.02885	2.0
98.97575	0.8
99.04453	0.5
115.03922	0.4
116.98606	0.5
119.01857	0.9
119.52111	0.5
127.03911	3.7
134.02335	0.5
143.01929	0.7
145.04926	1.2
153.03938	1.0
154.41231	0.4
155.01851	0.7
156.51196	0.5
158.99646	0.9
161.01297	0.4
161.02882	1.0
170.03334	0.5
170.99655	0.5
173.02986	2.4
174.04532	0.7
177.00719	1.2
183.05029	1.0
185.03021	0.9
187.04539	0.4
189.00708	1.3
191.03909	1.6
196.04404	0.4
200.04402	1.0
201.00609	0.8
201.05055	0.6
203.04010	1.2
215.03955	0.7
219.01825	1.0
234.06531	1.0
238.33969	0.4
245.04990	2.5
264.07626	7.3
264.57843	1.6
271.06042	0.5
272.06573	1.9
272.56497	0.4
279.04001	0.5
281.07129	3.7
281.57233	2.9
282.07645	1.9
284.59027	0.7
305.07208	0.8
329.05093	1.4
331.14783	0.5
345.10287	4.0
347.08118	0.4
354.10980	0.6
362.09549	2.5
362.59732	2.7
363.10294	1.7
365.09274	0.6
366.09534	0.4
407.10175	1.4
423.08249	1.4
510.40869	0.4
525.12030	0.8
543.13165	37.6
544.13202	0.9
705.18433	100.0
706.18805	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	705.184
Annotation	Diinsinin
Peak:m/z	Relative Intensity
52.47460	0.7
69.63018	6.1
73.29932	0.8
95.19431	0.8
100.71809	0.9
105.17263	0.7
232.35168	0.8
234.58476	0.8
319.35635	0.9
423.08350	1.5
543.13177	38.8
544.13538	1.8
549.75330	1.0
599.14081	0.8
609.46973	0.9
705.18433	100.0
706.18768	6.8
710.11096	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
53.03947	3.2
53.65546	0.6
55.01862	3.9
55.05504	15.4
55.51212	0.6
57.03432	6.0
57.07073	1.7
57.78884	0.7
59.04978	0.8
61.02919	11.0
65.03928	1.4
67.05495	24.7
69.03418	12.3
69.07060	8.4
71.01358	1.2
71.04976	4.3
73.02906	6.2
79.05018	1.2
79.05480	22.2
81.03404	21.3
81.07047	24.0
83.04973	7.0
83.08610	9.9
83.45840	0.6
85.02892	12.1
85.06515	1.7
87.04454	0.8
89.06016	0.9
91.03940	5.6
91.05463	20.3
93.07031	18.1
95.04956	8.9
95.08596	13.7
97.02882	13.5
97.06512	2.9
97.10155	6.3
98.21449	1.5
99.04448	2.4
99.08062	0.8
101.02364	1.6
103.05424	0.9
105.07021	18.6
107.04922	4.7
107.08575	13.2
109.02869	3.6
109.06493	4.6
109.10132	10.3
111.04391	3.2
111.08056	4.0
115.05402	1.0
117.06995	9.8
118.80843	0.7
119.08562	16.4
121.06488	3.5
121.10123	6.6
123.08027	2.1
123.11694	3.3
125.09628	5.4
125.40537	0.7
127.03899	3.0
128.06197	2.3
129.05461	1.3
129.06978	8.3
131.04890	0.9
131.08548	14.8
131.09460	1.2
133.06477	1.7
133.08553	0.7
133.10124	9.3
135.08043	2.8
135.11665	5.1
137.09618	1.9
139.11134	1.0
141.06984	3.3
142.07715	1.9
143.08533	10.1
145.06477	2.8
145.10098	13.8
147.08051	2.1
147.11656	9.6
148.12039	0.7
149.09564	3.5
149.13251	2.7
151.11136	1.4
153.09050	1.2
153.12784	0.9
154.07736	0.7
155.08583	4.4
157.06509	1.3
157.10120	8.4
159.08017	2.8
159.11653	10.1
161.09595	1.6
161.13245	4.4
163.11179	2.8
166.07585	0.7
167.08472	3.2
168.09276	1.0
169.10112	5.4
171.07985	1.9
171.11639	8.4
173.04482	1.6
173.09612	2.9
173.13197	5.0
175.11180	2.8
175.14857	2.8
177.12781	0.8
181.10109	3.9
181.12114	1.0
183.07977	0.7
183.11694	4.3
185.09657	2.2
185.13225	5.7
187.11189	2.0
187.14793	2.5
189.11198	1.9
189.12740	1.0
191.10677	1.3
193.10248	1.6
193.12247	6.1
195.11696	4.1
197.09494	1.2
197.13264	3.5
199.11194	1.8
199.14828	2.7
199.16838	1.4
201.12766	1.1
201.16397	1.6
207.11667	1.8
209.11501	0.8
209.13272	3.0
211.13289	6.1
211.14688	1.1
213.12822	1.3
213.16373	1.2
221.13278	1.5
223.11206	1.0
223.14792	1.3
225.12671	1.2
225.16307	0.9
227.12570	3.6
229.14346	1.2
231.13995	0.9
235.14880	0.8
237.16438	1.0
239.17989	0.8
241.15814	0.9
241.19521	3.0
243.15701	0.8
257.18988	1.2
259.20587	6.7
260.20908	0.9
261.22101	1.0
267.15912	1.2
269.22513	0.7
271.20636	1.0
275.20059	2.6
277.21579	1.1
283.20511	2.6
285.16919	2.7
297.18567	1.2
297.21954	1.7
299.20267	1.4
299.23767	4.0
301.21545	2.1
313.21722	1.1
315.19543	1.1
315.23230	1.8
325.21631	1.9
331.22510	0.8
333.24252	4.8
339.23206	1.5
357.24231	2.2
367.22745	1.5
385.23877	1.1
403.24725	0.9
421.25757	1.2
429.21167	1.4
433.30942	4.3
435.27353	1.4
451.31894	7.1
469.33221	3.8
475.32117	0.9
487.33890	1.5
515.37073	1.8
525.35718	15.6
541.34985	2.1
543.36743	100.0
544.37225	7.9
567.36786	1.4
585.37787	2.5
609.37897	1.4
633.37628	1.4
651.37988	3.2
669.39941	3.2
687.41223	5.6
705.31903	3.1
705.42395	14.6
706.41858	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.4
51.79390	0.8
53.03934	3.6
55.01863	5.6
55.05505	16.5
55.93818	0.8
57.03429	10.8
57.07061	1.2
61.02919	10.6
64.95863	1.0
65.03929	3.1
67.05498	33.9
68.40372	0.9
69.03417	12.7
69.07065	7.8
69.50300	9.8
71.01347	1.4
71.04980	3.9
73.02908	5.2
79.05483	26.6
81.03413	31.0
81.07045	30.9
81.07529	1.7
83.04968	10.5
83.08601	11.4
84.67641	1.1
85.02888	12.2
85.06548	3.0
86.09727	1.0
91.03952	4.8
91.05469	25.4
93.07034	22.6
94.61640	1.0
95.04964	13.2
95.08597	17.3
97.02878	13.7
97.06510	3.9
97.10162	8.5
99.04440	3.2
99.08067	2.1
105.07016	21.7
107.04958	5.0
107.08598	13.6
109.02869	5.3
109.06503	4.2
109.10132	10.5
111.04452	5.0
111.08044	4.3
115.05460	1.4
117.07013	12.2
119.08576	19.7
121.06470	4.2
121.10123	10.7
123.08041	2.5
123.11711	4.0
125.09621	6.7
127.03874	4.9
127.05451	1.0
128.06200	3.6
129.05431	2.0
129.06970	10.1
131.08548	16.6
133.06470	3.7
133.10118	12.7
135.08028	2.9
135.11668	7.4
137.09631	2.7
141.06989	2.1
142.07758	3.4
143.08536	9.4
145.06459	2.9
145.10107	13.3
147.08054	3.3
147.11662	11.7
149.09598	3.0
149.13248	3.3
153.09131	1.6
154.07816	1.9
155.08519	6.3
157.10118	12.6
159.08022	4.4
159.11649	11.9
161.09624	2.8
161.13248	5.4
163.11189	6.0
163.14729	1.3
165.07018	1.1
165.12735	1.6
167.08562	2.7
169.10141	6.4
170.10681	1.4
171.08028	2.4
171.11670	7.7
173.04446	2.5
173.09622	3.2
173.11932	1.4
173.13243	6.1
175.11165	5.3
175.14816	2.2
179.08536	1.3
181.10075	3.3
181.12230	3.3
183.11671	3.9
185.09567	2.5
185.13234	5.8
187.11153	2.9
187.14767	2.3
189.11214	2.2
189.12752	1.6
191.10674	1.6
193.10417	1.1
193.12251	8.0
195.11653	4.3
197.09540	1.5
197.13242	3.7
199.11096	2.5
199.14795	4.3
203.14209	1.3
207.11652	2.1
209.13298	2.4
211.13191	12.1
211.14847	1.6
213.12679	1.3
215.14381	1.2
221.13223	2.3
223.14822	2.0
225.12766	1.4
227.10789	1.2
227.12569	6.3
229.14258	2.0
237.16530	1.3
239.14215	1.2
241.19536	4.2
257.18997	1.6
259.20364	5.1
267.15875	4.1
275.20093	4.2
283.15277	1.2
283.20514	1.6
285.16885	4.4
297.22116	2.1
299.20197	2.2
299.23770	4.7
301.21603	2.1
311.19684	1.1
313.21777	1.3
315.19717	1.5
315.23169	2.4
333.24213	5.5
339.23212	1.8
349.23856	2.8
385.23639	1.3
415.30115	1.8
417.26541	1.1
421.25842	3.1
423.32434	1.7
429.21091	3.3
433.30682	6.0
435.27209	1.9
451.32016	7.9
469.33133	1.8
525.35767	19.0
526.35492	1.4
534.91278	1.1
541.34723	2.6
543.36737	100.0
544.36993	6.4
567.36578	2.0
585.37775	1.7
609.36670	1.2
633.37335	1.3
643.36597	1.0
651.38483	3.9
669.39758	2.9
687.40765	6.5
705.42175	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	705.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03712	1.7
53.03936	10.0
55.01862	15.7
55.05507	37.1
57.03430	16.2
57.07063	3.4
61.02903	4.6
62.33146	1.5
62.66299	1.8
65.03918	5.3
67.05497	89.9
67.51965	1.4
69.03418	31.9
69.07056	36.3
70.37667	1.5
70.51366	7.1
71.01326	3.3
71.04977	13.6
73.02885	4.4
77.03931	1.8
79.05019	3.0
79.05484	69.9
81.03409	54.4
81.07047	100.0
83.04968	24.2
83.08614	21.9
85.02869	10.0
85.06538	4.5
87.04465	2.4
89.06013	3.6
91.03934	2.3
91.05471	68.6
93.07035	75.3
95.01303	1.6
95.04963	21.4
95.08592	48.0
97.02881	20.1
97.06519	21.9
97.10166	11.6
99.04434	10.9
99.08141	3.8
103.05434	2.7
105.07018	61.8
107.04944	17.6
107.08587	45.5
109.02849	12.6
109.05780	2.1
109.06507	11.6
109.10147	20.1
111.04469	9.7
111.08066	5.3
115.05424	4.7
116.06242	2.1
117.06997	24.1
119.08561	35.1
121.06516	9.9
121.10144	31.1
123.04430	2.1
123.08049	7.0
123.11679	10.9
125.09621	7.4
127.03904	12.7
128.06218	4.1
129.05518	8.0
129.06987	15.6
130.07828	2.2
131.08554	35.3
131.09459	3.0
133.06458	4.8
133.08607	3.5
133.10109	39.9
135.08063	8.4
135.11665	16.3
137.05948	1.9
137.09625	7.6
139.11209	1.9
141.06966	6.2
142.07755	2.3
143.08521	16.0
145.04846	2.3
145.06465	4.2
145.10106	27.0
147.08025	7.4
147.11668	26.2
149.09590	18.1
149.13203	19.4
151.11150	5.2
153.09076	2.7
154.07712	2.1
155.08524	10.8
157.06427	2.6
157.10112	15.4
159.08029	3.3
159.11690	23.6
161.09634	6.8
161.13287	8.0
163.11201	10.9
165.09044	2.0
165.12772	6.4
165.94234	1.6
167.08568	3.5
169.10075	10.3
171.07935	2.6
171.11653	9.8
173.04428	14.9
173.09618	3.9
173.13237	9.7
175.11140	4.8
175.14847	2.4
177.12683	6.3
179.14313	3.4
181.10170	3.7
183.11661	9.6
185.09579	3.9
185.13217	7.2
187.11223	3.3
187.14818	4.0
189.11185	5.4
189.12762	3.9
191.14255	2.0
193.12144	2.2
195.11705	5.8
195.13795	8.8
197.13246	7.2
199.06056	3.0
199.11208	2.7
199.14842	3.3
201.12836	3.6
203.14354	2.0
205.12173	3.2
207.11752	2.3
207.13655	2.2
209.13210	2.0
211.11160	2.1
211.14896	2.2
213.12790	2.0
218.56406	2.0
227.12729	8.2
229.14249	2.4
229.19478	2.1
233.15379	1.9
237.16417	2.2
239.17964	3.9
242.92700	1.6
247.20438	3.6
257.18973	9.2
259.20554	2.5
261.14957	2.0
267.15903	6.5
269.17447	16.4
273.18539	2.4
275.17227	1.9
275.20050	52.5
283.20242	1.8
291.19696	2.0
293.21115	5.9
297.16736	2.5
323.23715	2.1
339.17877	4.0
349.23767	21.9
377.19379	1.9
378.58463	2.0
395.20670	3.2
401.23422	2.7
413.21738	7.4
415.30472	2.5
419.24048	2.4
423.32376	2.3
433.30899	4.5
451.32166	8.4
463.30313	3.0
469.33060	6.9
487.34137	2.2
515.37085	6.0
525.35675	22.1
543.36749	55.1
544.37354	3.4
565.79053	2.1
585.38177	2.1
607.34491	2.2
607.43219	1.9
651.38898	2.9
669.39038	3.9
671.80530	2.0
687.40839	12.9
705.41644	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	705.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.5
55.01858	15.5
55.05269	2.9
55.05505	33.1
57.03432	15.9
57.07066	3.5
61.02905	6.9
65.03928	5.6
67.05136	4.4
67.05494	80.5
69.03419	28.2
69.07059	36.3
71.01321	2.2
71.04982	15.9
71.08604	2.7
71.23060	3.0
71.23397	3.0
71.74616	1.6
73.02903	4.0
73.49902	1.7
79.05482	64.7
81.02935	3.9
81.03405	59.2
81.07043	100.0
82.07401	1.8
83.04968	22.7
83.08605	22.2
85.02895	17.7
85.06522	6.8
87.73521	1.9
91.03960	2.6
91.05463	62.0
93.07031	68.9
95.04955	19.4
95.08590	49.7
97.02882	23.8
97.06525	16.4
97.10164	6.7
99.04434	7.8
99.08072	4.3
103.05454	3.5
105.04508	2.1
105.07011	50.9
107.04927	13.1
107.08579	41.2
109.02856	12.5
109.06500	12.5
109.10123	18.5
111.04412	6.0
111.08076	7.4
115.05433	6.1
117.07008	24.8
119.08564	43.6
121.06466	8.7
121.10130	22.5
123.08063	8.8
123.11685	9.6
123.57503	1.6
125.05973	2.3
125.09615	7.1
127.03902	14.3
128.06177	3.3
129.05453	6.5
129.06970	15.1
130.07866	2.0
131.04941	1.9
131.07651	3.0
131.08560	38.0
133.06473	6.1
133.10103	32.0
135.08060	8.2
135.11693	15.1
137.09613	6.0
137.13239	2.0
138.68201	2.0
141.06958	5.5
143.08557	14.1
145.06473	4.1
145.10109	29.4
147.08061	4.2
147.11653	23.5
149.09613	11.6
149.13240	18.3
151.11134	5.2
155.08554	7.3
157.10110	11.5
159.08014	5.2
159.11678	25.9
161.09636	5.7
161.13243	5.7
163.07507	2.5
163.11214	10.0
163.14890	2.2
165.09067	1.8
165.12740	5.4
167.08508	3.3
169.10103	9.6
171.07996	3.5
171.11674	9.8
173.04442	13.5
173.09653	3.3
173.13235	9.6
175.11140	4.0
177.12723	5.1
181.10066	4.7
183.11624	9.1
185.13220	5.6
187.11110	5.6
187.14803	4.6
189.11148	4.2
189.12680	2.5
193.12271	2.1
195.11693	4.8
195.13802	8.1
197.13271	5.6
198.74791	2.0
199.05914	4.2
199.11183	2.6
199.14812	3.4
201.12738	3.3
205.12297	3.7
209.13219	3.1
211.14812	4.5
213.12799	3.4
217.15961	2.6
221.13290	2.6
227.12733	3.1
229.19513	2.5
239.17979	3.4
241.74315	1.9
247.20532	3.4
257.18930	8.3
259.20667	2.7
267.15878	8.9
269.17401	19.4
273.18359	2.7
275.20007	45.0
276.20248	2.8
277.21820	2.4
293.21118	5.4
299.20294	1.9
299.23447	2.3
321.24463	2.2
331.22476	4.0
339.17914	4.4
349.23679	22.8
383.22247	2.5
395.20477	5.1
413.21628	9.8
417.01797	2.0
433.30936	6.3
445.29221	1.9
451.32004	7.6
463.30481	3.9
469.32968	5.4
476.37665	2.1
507.34955	2.2
515.37207	5.8
525.35718	22.0
526.36304	2.3
543.36761	63.5
544.37201	3.4
561.37671	6.2
597.37061	2.3
607.34344	5.0
651.38672	3.7
664.64471	2.1
669.40112	3.9
687.41174	17.2
705.41858	27.8
706.42145	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29161	5.3
55.05506	13.6
57.07040	6.8
58.06591	6.0
59.06126	5.1
67.05501	26.1
69.07053	19.1
71.72276	6.6
71.72652	7.0
78.35172	4.9
78.80628	6.3
79.05484	17.5
81.03400	6.1
81.07040	37.6
83.08591	8.1
87.04418	6.0
87.23537	5.3
91.05463	16.7
93.07043	18.3
95.08584	16.6
95.95425	4.9
105.07028	11.8
107.08554	10.9
109.10176	8.6
113.00022	46.3
117.06996	8.5
119.08544	10.8
121.10124	5.5
128.06143	6.3
129.06996	11.5
131.08563	15.8
133.10118	13.3
136.46828	4.9
141.06985	5.6
143.08524	13.6
145.10104	14.2
147.11780	6.4
155.08620	13.2
157.10149	18.2
159.11482	5.8
159.47656	6.6
167.08643	7.3
169.10071	17.3
171.11746	9.3
181.10168	7.5
183.11682	11.2
195.11697	7.8
197.13324	10.5
211.14851	12.3
215.12418	5.5
231.14580	5.9
239.17932	6.4
372.46664	5.4
395.29034	7.1
519.41571	13.0
537.42639	12.4
562.55438	5.8
593.45618	100.0
705.44617	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.9
55.01860	18.2
55.05502	35.2
57.03424	20.6
57.07056	2.7
59.04998	4.5
59.63029	0.9
60.08158	1.2
61.02916	8.0
62.13164	0.7
65.03918	1.5
67.05494	39.9
68.05824	0.9
69.03418	5.9
69.07055	12.7
71.01325	4.2
71.04978	6.7
71.70846	1.0
73.02899	5.9
74.13876	1.0
79.05477	44.3
81.03407	36.2
81.07041	37.4
82.03757	1.0
82.04188	3.3
83.01321	9.3
83.04967	25.0
83.08604	18.9
84.02090	1.3
85.02893	12.4
85.06528	2.5
86.09694	6.1
87.04468	0.9
90.17317	0.7
91.03943	2.4
91.05462	28.8
93.07028	41.4
94.04169	1.0
94.07340	0.9
95.04950	22.4
95.08591	16.8
97.02872	14.2
97.06515	10.3
97.10159	14.8
98.07304	3.4
98.98458	0.9
99.04445	3.4
99.08112	2.1
105.07011	19.3
107.04935	22.7
107.08572	25.0
109.02849	2.0
109.06488	9.9
109.10132	13.2
111.04440	7.8
111.08051	5.7
113.05964	1.3
115.05450	1.9
116.04692	7.2
117.05502	0.8
117.06995	13.3
119.08556	20.3
121.06477	5.6
121.10129	13.5
123.04417	1.7
123.08041	14.3
124.99965	4.2
125.05972	2.4
125.09616	13.5
127.03896	1.8
128.06184	0.9
129.05469	20.9
129.06932	5.6
130.07776	3.0
130.25723	0.9
131.04944	1.1
131.08542	10.1
133.10089	7.4
135.08025	4.8
135.11670	23.1
137.09598	3.1
139.07545	1.2
143.07027	4.5
143.08453	1.0
143.10666	1.1
145.06442	2.0
145.10101	25.0
147.04483	1.2
147.07997	5.2
147.11639	5.7
149.09592	3.9
153.09081	1.9
153.12723	13.0
155.08542	2.0
157.08591	11.0
157.10100	3.3
158.05721	0.9
161.09570	1.3
161.13225	1.2
163.03893	1.8
163.11153	47.6
171.06619	1.3
171.10152	3.1
171.11612	1.8
173.02295	1.0
173.09572	7.2
173.11749	2.4
175.11116	2.3
181.12213	11.1
184.07315	24.0
185.11707	0.8
189.11200	6.5
191.10626	8.9
193.12285	3.9
199.13307	8.2
200.14116	1.6
201.14854	1.6
207.13724	2.0
209.11705	17.2
210.12474	1.9
211.13248	1.9
215.07022	2.5
227.12737	20.3
229.14362	3.8
255.15872	1.5
259.09619	5.3
265.14368	3.0
267.15833	10.7
281.17484	3.0
283.15356	100.0
284.15826	4.4
285.17032	2.6
301.16409	50.1
302.16806	1.9
337.16486	2.1
383.22192	1.5
407.24167	1.2
425.25308	1.8
436.24570	0.9
437.25302	9.1
453.23865	1.1
457.25803	1.6
459.27408	1.3
473.29083	8.8
474.26169	1.8
475.26953	5.1
477.28055	1.1
491.25665	11.6
492.27258	4.4
509.27393	56.2
510.27762	2.9
527.28418	2.3
656.35065	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	706.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99419	0.9
53.03926	4.8
55.01868	10.1
55.05502	27.2
55.27340	1.0
57.03152	1.6
57.03424	19.9
57.07059	2.2
59.04981	4.2
61.02910	5.7
65.03930	3.2
67.05495	55.9
69.03404	5.1
69.07052	14.5
70.32865	2.1
70.33273	3.8
71.01328	2.6
71.04988	11.7
73.02899	3.4
73.74713	1.1
79.05019	2.2
79.05481	49.9
81.03403	63.4
81.07043	43.7
83.01323	5.7
83.04964	30.2
83.08109	1.8
83.08604	22.8
85.02892	17.9
85.06521	3.6
86.09644	1.3
87.04434	3.0
90.41627	1.1
91.05463	57.0
93.07027	43.5
93.19041	1.1
95.04955	30.5
95.08589	18.5
97.02876	8.3
97.06509	19.8
97.10165	7.4
97.73213	0.9
98.98427	1.1
99.04427	4.0
99.08110	2.1
105.06330	2.4
105.07014	36.8
107.04932	21.2
107.08575	19.8
109.06512	11.9
109.10139	23.6
111.04421	4.8
111.08057	5.6
113.05979	2.5
115.05401	1.9
116.06219	1.4
117.06984	7.8
119.04904	1.5
119.08565	28.6
120.08884	1.1
121.06467	5.9
121.10135	13.4
123.08068	7.8
123.11678	1.4
125.05986	2.1
125.09639	7.3
127.03935	1.5
127.07487	1.0
128.06215	1.7
129.05484	2.4
129.06976	14.8
130.07765	1.3
131.08545	16.1
133.06456	2.4
133.10103	26.6
135.08052	2.9
135.11682	11.7
137.09561	3.2
142.07732	2.9
143.08549	1.6
145.06380	1.6
145.10114	18.0
147.08040	6.6
147.11670	15.5
149.06001	1.4
149.09564	6.0
153.12727	4.4
155.10623	1.2
157.10110	17.6
159.11604	1.4
161.02310	1.6
161.09561	1.4
163.03883	13.8
163.11160	25.3
165.12701	2.2
173.02307	3.3
173.09615	4.9
173.11699	4.9
173.13063	1.2
175.11142	15.6
181.12204	3.0
184.07391	1.7
191.10689	3.4
193.12236	21.2
199.13202	1.9
209.11728	9.0
211.13252	1.8
215.06992	5.1
227.12732	5.3
229.14319	13.8
249.14896	1.5
259.09619	23.7
267.15875	95.9
268.16248	1.4
281.17474	1.7
283.15375	64.1
284.15665	2.4
301.16412	4.1
407.23953	1.5
421.14899	4.0
437.25256	6.4
441.26639	1.7
446.43225	1.4
459.27362	100.0
460.27673	2.3
477.28375	4.5
491.26199	22.6
501.28632	2.2
509.27325	28.0
527.28558	14.0
567.29077	1.5
706.27142	5.7
707.27423	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.8
55.05500	14.1
57.03158	1.0
57.03428	15.0
57.69339	0.7
59.04987	1.7
61.02903	2.2
65.03929	1.1
67.05131	1.4
67.05492	21.9
69.03423	5.0
69.07056	7.6
70.30019	0.6
71.04986	5.5
71.70882	1.0
71.71228	0.7
73.02895	0.9
79.05479	26.6
81.03402	88.5
81.07041	22.8
82.03716	0.7
83.04966	12.8
83.08607	22.3
85.02885	15.6
85.06516	2.2
86.09695	0.8
91.03926	0.7
91.05463	28.4
93.07023	17.0
95.04951	27.3
95.08586	9.3
97.02877	5.7
97.06513	4.7
97.10139	6.2
99.04436	1.2
99.08064	1.3
102.71352	0.8
103.05435	1.3
105.06322	1.4
105.07013	19.8
107.04932	11.5
107.08570	11.6
109.06494	4.9
109.10144	6.4
111.04404	2.9
111.08068	8.6
113.05989	1.6
114.04626	0.6
115.05415	1.8
117.06989	3.8
119.04916	2.1
119.08549	18.5
120.11366	0.6
121.06491	4.5
121.10123	10.1
123.04433	1.2
123.08054	5.6
123.11651	0.7
125.05968	0.9
125.09628	3.1
127.03872	0.8
128.06245	1.1
129.05478	1.1
129.06969	11.5
131.04886	1.0
131.08548	13.2
133.06479	4.7
133.10115	9.7
135.04413	0.9
135.08040	2.0
135.11658	2.6
137.05925	1.4
137.09615	2.4
141.06914	1.0
142.07727	2.8
143.08522	1.6
145.06477	4.0
145.10103	5.5
147.08064	4.3
147.11652	11.9
149.09589	7.1
151.11101	0.7
153.09058	0.9
155.08513	1.4
157.06482	1.2
157.10112	13.7
159.08063	1.0
161.05936	1.6
161.09634	1.0
163.03867	7.6
163.11131	5.3
165.12746	2.0
167.08498	0.8
169.06375	0.8
169.10127	0.9
171.07898	1.6
171.11664	1.0
173.09676	1.6
175.11147	11.8
181.12180	1.3
183.11662	0.9
184.07310	1.0
185.09509	1.2
187.07457	0.7
187.11072	0.7
189.09099	1.4
189.11131	1.3
191.10585	1.2
193.12210	34.4
194.08218	1.4
195.08022	0.9
195.11635	1.3
197.13217	1.2
204.06653	0.8
205.06865	0.9
209.09869	0.7
209.11687	2.3
211.11243	1.1
211.13252	18.8
213.09077	1.1
213.12772	0.8
215.06891	1.6
216.70985	0.7
226.10748	0.7
227.12653	3.1
229.14252	2.0
233.15349	1.1
235.13289	0.8
236.12785	8.0
237.12767	1.1
249.14766	2.3
255.13683	2.4
259.09598	5.4
265.14255	1.2
267.15866	100.0
268.16260	1.7
273.14725	3.7
283.15341	11.4
285.16895	20.3
299.14740	1.5
301.16333	2.5
341.21170	1.3
348.75461	0.7
349.21750	3.8
367.22592	9.3
385.23642	13.8
403.24622	2.6
415.24777	1.5
433.25793	12.7
441.26239	6.4
459.27332	65.1
460.27463	2.3
477.28418	43.8
478.28592	0.8
491.25916	5.4
509.27097	5.9
519.29041	0.8
527.28314	0.9
603.30859	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.464
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78797	0.1
55.05487	0.2
56.05021	0.7
57.07056	0.2
58.06304	0.2
58.06612	0.4
59.07375	0.1
60.08153	6.8
67.05485	0.2
69.03392	0.1
69.07031	0.1
69.68999	0.6
71.07359	3.3
75.94558	0.1
79.05473	0.2
81.03394	0.1
81.07043	0.3
83.04964	0.1
83.08617	0.1
86.09692	30.3
87.04438	0.2
87.10019	0.2
91.05463	0.1
93.07049	0.1
95.08588	0.1
98.98447	2.9
104.10724	2.5
105.91246	0.1
107.08592	0.1
119.08540	0.2
124.52716	0.1
124.99980	20.8
131.08505	0.1
133.10086	0.1
143.01056	0.4
166.02686	0.1
184.07312	100.0
185.07692	0.7
228.00136	0.1
238.17096	0.1
328.62772	0.1
343.08127	0.1
468.23846	0.1
494.83322	0.1
496.33780	0.2
544.21124	0.1
572.81610	0.1
684.14832	0.1
688.45612	0.1
706.46521	5.5
707.46375	0.2
733.87286	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	708.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.0
55.01867	18.3
55.05504	37.6
57.03160	1.7
57.03430	29.9
57.07040	3.1
59.04996	1.4
61.02917	8.1
65.03943	2.7
67.05497	59.9
69.03423	10.6
69.07067	15.9
69.39161	1.4
69.41706	1.5
70.95515	2.9
71.01331	2.1
71.04982	8.5
72.76585	1.4
73.02905	9.3
79.05484	57.0
80.06261	1.6
81.03407	100.0
81.07043	52.5
82.04185	3.2
83.04502	2.4
83.04974	34.8
83.08112	2.0
83.08604	33.7
84.02110	1.8
85.02895	34.6
85.06541	3.7
91.03957	3.2
91.04921	3.2
91.05469	55.1
93.07032	38.0
95.04954	44.1
95.08591	19.9
97.02866	11.7
97.06518	13.1
97.10162	17.5
98.07293	4.6
98.20698	1.8
99.04425	2.9
99.08089	2.8
105.07014	34.9
107.04943	19.7
107.07909	2.5
107.08579	25.1
109.02862	2.4
109.06491	8.7
109.10136	17.8
111.04425	5.3
111.08076	21.6
113.05973	3.3
115.05472	2.8
116.04691	10.0
117.07005	7.7
119.04912	1.9
119.08565	33.3
121.06490	4.8
121.10137	15.0
123.08057	8.5
123.11681	2.6
125.05990	1.5
125.09602	17.5
127.03958	1.4
129.05475	29.0
129.06969	16.7
131.08540	19.9
133.06451	4.4
133.10104	22.0
135.04353	1.5
135.08028	2.8
135.11656	6.9
137.09595	3.7
142.07712	3.1
143.06982	4.4
143.10666	2.0
145.06471	1.5
145.10086	11.1
147.08026	6.6
147.11676	22.1
149.09619	8.6
153.12740	6.7
157.08598	10.8
157.10106	22.1
158.05768	1.8
163.11148	14.2
165.12740	4.6
171.06503	2.2
171.10156	1.5
173.09583	3.2
173.11699	3.4
175.11154	21.4
181.12195	5.4
185.11755	2.3
188.17227	1.6
189.11221	7.3
191.10683	4.7
193.12221	72.7
194.12558	2.0
199.13242	16.2
200.14093	2.3
209.11676	10.9
211.13261	99.9
212.13629	1.8
215.14516	1.5
227.10645	2.5
227.12711	17.4
229.14296	3.6
247.13200	3.9
249.14824	3.6
255.15947	3.3
265.14355	2.8
267.15854	30.8
283.15366	20.8
285.16910	66.9
301.16425	62.2
302.16891	1.5
334.54245	1.5
339.17923	2.2
382.27255	2.2
409.25882	3.8
421.25656	2.4
427.26947	2.6
439.26813	13.7
459.27139	3.8
475.27005	4.5
476.27481	1.8
477.28397	4.9
493.27838	25.6
494.28656	5.7
511.28934	58.6
512.29431	2.2
708.42786	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28088	0.4
53.03940	0.9
53.69016	0.4
55.01852	0.9
55.05500	1.4
55.24545	0.5
55.78589	0.5
57.03426	3.4
62.82815	0.5
63.02373	0.7
67.05502	4.0
69.03414	2.0
69.07053	1.7
70.06561	0.6
71.04987	9.2
71.70953	0.8
73.02904	0.7
79.05481	3.5
81.03413	6.4
81.07041	4.8
82.03751	0.5
83.04984	2.5
83.08611	2.4
85.02895	13.7
85.06525	1.1
86.09695	1.6
87.04469	0.5
89.03918	2.2
91.05486	4.2
93.07030	4.1
95.04984	2.8
95.08620	2.6
97.02899	4.0
97.06512	1.2
99.04433	0.8
101.02393	0.6
105.07008	2.6
107.04957	2.2
107.08595	2.3
109.06472	0.8
109.10164	1.9
111.04450	1.3
111.08078	1.0
117.03377	2.8
117.07005	1.2
119.08552	2.1
121.06503	0.7
121.10167	1.1
123.04396	0.8
123.08072	0.7
124.99982	1.7
127.03893	1.1
129.05478	3.8
129.06973	1.2
131.04962	0.6
131.08548	1.3
133.10095	1.7
135.04402	10.2
135.11681	0.6
137.05942	2.0
140.34065	0.5
141.73616	0.5
145.02835	8.7
145.04831	0.6
145.10091	0.5
147.04440	1.1
147.06499	0.9
147.11697	2.0
149.05984	1.1
149.09560	0.6
151.19353	0.4
157.10104	1.3
161.05956	0.6
163.03888	100.0
163.11185	0.9
164.04239	1.5
165.05481	0.8
165.12817	0.5
167.07010	0.7
173.09532	0.5
175.11128	1.2
179.42140	0.6
181.04922	1.5
184.07294	3.6
185.07581	0.7
186.05542	0.5
193.12221	2.0
207.06644	0.5
211.13249	2.6
227.12816	0.5
259.09711	1.0
267.15826	3.0
269.17285	0.5
284.15836	0.7
285.16910	3.0
307.07837	0.5
309.09671	1.5
325.09164	13.8
459.27310	1.3
477.28119	2.0
495.29340	4.2
570.53461	0.6
710.40448	0.9
720.87231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.0
55.05503	9.7
57.03427	12.2
58.83271	1.3
61.02926	1.2
64.64209	0.8
65.03927	1.2
67.05495	16.1
69.03411	4.3
69.07055	4.9
69.81057	6.5
71.01343	1.0
71.04973	3.4
72.05391	1.0
73.02875	1.0
79.05479	15.9
81.03403	70.9
81.07042	18.8
83.04967	8.8
83.08605	20.0
85.02900	11.7
85.06520	1.5
86.09694	3.2
91.05465	19.4
93.07019	13.9
95.04957	24.2
95.08599	8.3
97.02863	3.1
97.06512	2.4
97.10146	4.1
98.20789	1.8
99.08079	1.8
105.07010	14.1
106.95905	0.9
107.04936	7.2
107.08588	7.8
109.06503	3.3
109.10143	4.7
111.04427	2.6
111.08064	7.3
113.05984	1.9
115.05431	0.9
117.07002	3.5
119.08562	14.6
121.06527	4.6
121.10133	7.7
121.44284	0.9
123.08048	1.7
125.09632	2.8
129.06966	11.2
131.04958	1.2
131.08531	11.7
133.06458	3.1
133.10124	8.8
135.04352	1.0
135.08011	1.8
137.05939	2.5
137.09586	2.3
141.07019	1.5
142.07764	2.5
145.06522	4.5
145.10097	3.5
147.04430	2.6
147.08029	3.3
147.11668	10.6
149.09602	6.8
155.08456	1.2
157.10130	10.6
159.08018	1.6
159.11639	1.0
161.09483	1.0
163.03928	1.7
163.11154	1.6
165.12766	2.7
167.07106	1.2
171.08064	1.5
171.11679	1.3
175.11160	13.8
184.07370	5.5
185.13283	1.0
193.12222	31.8
195.11632	1.2
197.13223	1.0
199.14726	1.2
211.11359	1.3
211.13251	16.8
212.13501	1.3
229.14294	1.7
237.12669	1.3
249.14893	2.8
255.13756	2.2
267.15872	100.0
268.16223	2.2
273.14948	4.6
285.16910	16.2
309.17059	1.2
323.19455	1.1
341.20889	1.2
349.21500	3.1
367.22653	8.9
385.23679	11.8
403.24588	2.2
405.24295	1.5
433.25839	16.8
441.26379	5.2
459.27341	65.1
460.27615	2.7
477.28412	45.5
478.29095	1.6
495.29312	1.7
511.28616	1.0
513.29272	2.3
710.41492	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.9
55.01863	5.4
55.05503	18.5
56.96552	4.7
57.03429	10.5
57.07067	2.9
58.32345	3.7
61.02908	20.1
67.05496	50.3
69.03409	9.4
69.07064	15.5
71.04964	12.3
71.10815	8.2
73.02885	5.7
79.05484	45.5
81.03407	18.8
81.07033	35.6
83.04964	9.6
83.08607	10.6
85.02890	27.5
86.09662	4.3
87.04462	4.3
91.03942	11.0
91.05460	48.7
93.07028	47.3
95.04957	13.3
95.08591	22.2
97.02844	14.7
97.06506	11.1
97.10149	5.5
105.07011	32.9
107.04939	5.1
107.08600	30.1
109.02822	4.2
109.06499	7.6
109.10127	27.5
111.08048	4.3
117.06982	12.2
119.08565	37.8
121.10140	23.7
123.08057	7.7
123.11683	5.8
125.09593	3.6
127.03883	3.8
129.06955	9.4
130.67793	3.9
131.08533	16.0
133.10083	25.5
135.04343	4.2
135.11632	23.2
137.09590	10.2
143.08537	4.9
145.04918	7.7
145.10147	17.7
147.11641	24.7
149.13235	11.5
157.10132	8.1
159.11642	10.2
161.13237	16.1
163.03899	7.4
163.06003	9.6
163.11127	9.2
171.11668	8.3
173.11771	6.2
173.13242	8.8
175.11189	3.4
175.14853	8.8
184.07214	5.5
185.13231	4.6
193.12149	6.9
229.14374	7.5
237.74623	3.5
241.19525	15.0
243.08237	3.3
243.16203	3.8
255.15741	4.8
259.20538	57.3
267.15897	7.3
283.15234	7.2
285.16669	4.5
312.09610	3.4
333.24078	3.4
351.25223	100.0
357.15411	7.1
363.25024	2.9
376.41037	2.9
426.33600	3.1
437.25281	7.7
441.27078	3.8
451.19275	8.4
459.27078	3.4
477.28198	4.1
495.29251	12.2
501.22415	4.4
513.29913	3.4
639.29346	7.7
710.27832	7.1
711.36047	60.0
738.46014	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	712.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
54.09340	0.2
55.01856	0.2
55.05501	0.5
57.03431	1.1
57.26906	0.2
60.04527	0.3
63.02374	0.4
67.05481	0.7
69.03413	1.5
69.07048	0.3
69.86619	1.2
70.06596	0.2
71.04980	6.4
75.04475	0.3
79.05479	0.8
81.03401	3.0
81.07040	0.7
81.36409	0.2
83.04964	0.6
85.02890	7.0
85.06531	0.2
86.09666	0.4
89.03899	3.5
91.05462	1.3
92.24535	0.2
93.07025	0.8
95.04964	0.6
95.08590	0.6
97.02882	2.1
97.06502	0.4
99.03876	0.2
99.04409	1.0
103.03939	0.3
103.05424	0.2
105.07021	0.6
107.04951	0.2
107.08575	0.5
109.02860	6.5
109.06494	0.3
109.10146	0.5
111.04446	0.7
111.08081	0.2
115.05461	0.2
117.03355	11.9
119.04882	0.4
119.08571	0.6
121.06483	0.4
121.10147	0.3
123.08051	0.3
124.05147	0.2
125.02349	0.5
127.03903	1.7
128.92172	0.2
129.05470	1.5
131.04903	0.5
131.08559	0.4
133.02737	0.2
133.06499	0.3
133.10121	0.5
134.03603	1.2
135.04398	1.4
135.11662	0.3
137.05931	0.5
139.03825	0.3
143.08434	0.3
145.02821	40.5
145.10072	0.4
146.03152	0.5
146.08070	0.4
147.04395	1.6
147.06543	0.3
147.08063	0.2
147.11613	0.2
148.04689	0.2
149.05959	4.3
151.03841	0.6
151.07491	1.6
152.04221	0.4
152.07043	2.3
157.10089	0.3
158.06059	0.3
161.05930	0.4
162.03194	0.3
163.03868	1.1
163.07480	0.4
164.07011	0.2
164.09145	0.6
165.09120	0.2
166.08592	0.6
169.04930	0.6
175.07475	0.5
176.04497	0.2
177.05435	100.0
178.05829	1.5
179.06982	1.1
181.06493	0.3
184.07303	0.7
186.05452	1.7
187.05945	0.5
189.09135	0.2
191.06906	0.2
193.08524	0.5
193.12105	0.3
194.08096	2.7
195.06464	0.5
199.07480	0.3
207.06377	0.2
213.08940	0.2
217.08504	0.2
219.06256	0.3
219.13762	0.3
225.51454	0.2
229.08615	0.2
231.10106	0.7
237.07550	0.2
241.08621	0.4
259.09634	2.7
261.07455	0.4
267.15790	0.4
277.10660	1.4
278.48566	0.2
285.07428	0.5
303.08417	0.5
305.70050	0.2
319.11569	0.6
321.09628	0.5
323.11121	0.4
337.12723	0.3
345.13321	0.4
372.11545	0.3
373.11523	0.2
374.12296	0.3
381.11740	17.2
382.12030	0.5
447.27234	0.3
477.27914	0.3
513.17047	0.3
527.17706	1.1
531.18066	0.4
646.15491	0.2
680.24103	0.3
712.30566	0.3
713.32520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48194	0.8
53.03951	1.1
55.01852	0.8
57.03422	1.0
67.05494	1.6
68.34221	0.8
69.03408	2.6
69.07063	0.9
70.06564	1.1
70.83952	1.8
71.04968	1.5
77.47563	0.7
79.05466	2.6
79.15424	0.8
81.03400	2.5
81.07033	2.3
83.08599	1.1
85.02885	3.7
85.06528	1.0
86.09699	1.6
91.05460	2.0
93.07023	3.4
94.06560	2.5
95.04962	1.0
95.07321	1.4
95.08611	1.5
96.08118	6.9
97.02872	1.6
97.06521	1.1
103.05423	1.4
104.10721	1.8
107.08559	1.1
108.08135	4.8
109.06480	0.7
109.10118	1.9
110.06077	0.7
110.09652	8.1
115.64619	0.7
119.04916	1.1
119.08635	1.0
120.04463	3.6
120.08076	5.3
121.06503	1.1
121.10117	1.2
122.05986	2.1
122.09656	1.3
123.11717	1.2
124.07574	2.3
128.06096	0.8
131.04872	1.1
132.08046	1.1
132.08939	0.9
133.10094	1.0
134.05937	0.9
135.04422	1.3
135.73622	0.7
136.07559	5.6
137.05968	3.9
138.09126	13.7
145.02843	0.9
146.05977	1.8
147.04391	4.5
148.07555	2.7
149.05920	1.0
150.05444	1.1
150.09131	2.8
151.03925	1.3
152.06999	1.4
163.03928	3.3
164.07025	1.3
166.08624	13.3
167.07004	1.4
173.13210	1.2
176.10640	0.9
177.05493	1.4
180.10170	1.1
181.04947	3.3
182.05315	1.8
184.07349	1.0
188.06981	0.9
190.05028	0.8
194.08163	1.5
196.69659	0.8
204.06537	1.7
205.08656	1.0
211.08636	0.9
211.12421	1.1
213.10301	0.7
223.08617	1.4
223.12291	1.5
224.09492	0.9
225.10185	3.4
226.10957	0.8
227.11824	1.2
233.10966	0.9
235.08583	1.6
236.09312	1.0
237.10219	8.7
238.10927	2.3
239.08206	1.5
239.11722	5.3
241.09653	1.2
248.09399	2.7
249.10248	7.7
250.10907	4.0
251.08191	2.8
251.11784	6.9
252.08751	0.9
252.12434	2.1
253.09677	6.3
254.10469	1.2
255.11272	2.2
261.10098	4.4
262.11029	1.7
263.08289	1.4
263.11826	6.6
265.09744	12.3
266.10440	3.1
267.11212	9.4
268.11932	0.8
269.09204	1.5
271.10757	2.5
276.09113	1.0
277.09805	4.2
278.06879	0.9
278.10480	6.2
279.07693	3.3
279.11276	16.9
280.11829	3.8
281.09174	4.4
281.12799	3.9
282.10153	1.4
282.13715	1.0
283.10739	8.1
284.11319	1.1
285.12286	1.3
287.13995	2.0
289.09610	9.4
290.09961	1.2
291.11325	4.5
293.09128	4.0
293.12872	6.8
294.09909	6.9
294.13052	1.3
295.10699	7.2
295.13846	1.3
296.11520	3.9
297.09009	1.1
297.12244	2.6
298.09500	1.0
299.10239	2.6
306.09921	2.2
307.10696	3.3
308.11487	2.3
309.12234	4.2
310.13058	1.2
311.10239	8.4
311.13858	4.8
312.10834	4.1
313.11694	2.8
314.12558	1.8
317.09207	2.3
323.10196	2.0
323.13925	2.3
324.11044	3.4
325.11948	1.6
326.12524	8.0
327.13281	11.5
328.14059	1.6
335.10226	15.8
335.14072	1.5
339.13364	80.1
340.10184	3.8
340.13779	2.6
341.11261	1.6
352.10403	1.3
353.11322	3.0
354.11993	8.5
355.12802	22.9
356.13150	1.4
367.12848	48.8
368.13126	2.9
372.11456	0.9
399.15717	0.9
400.16754	1.3
402.18222	1.1
442.17474	0.9
446.16888	0.9
451.20560	1.8
460.18539	2.2
464.22198	1.6
474.20346	0.9
478.19922	1.1
479.20474	2.3
480.20627	1.0
488.18143	16.3
488.30536	1.3
489.18524	1.1
489.31134	1.3
492.21289	5.6
494.22366	1.0
506.19165	2.6
517.18005	2.5
520.20734	100.0
521.20996	6.6
529.17712	1.0
529.69177	0.9
538.22150	0.9
552.23480	8.5
611.34625	1.0
632.22717	1.0
638.27167	1.8
650.23260	4.0
651.24847	0.9
653.61426	1.0
664.24969	3.2
682.25989	85.1
683.26270	7.7
714.28424	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	714.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
53.55623	0.5
53.62871	0.4
55.01854	1.0
55.05505	0.8
57.03417	0.8
58.25148	0.4
60.04502	1.0
65.03928	0.8
67.05482	2.1
69.03402	3.5
69.07045	0.6
70.06573	1.5
71.04982	2.0
71.70089	0.7
73.02898	0.9
79.05470	2.2
80.04990	0.7
80.62477	0.5
81.03405	4.5
81.07037	1.9
82.06564	0.5
85.02888	3.9
85.06523	0.7
86.09684	0.7
87.04440	1.2
89.03900	0.6
91.05470	2.2
93.05781	1.4
93.07021	2.5
94.06545	5.6
95.04955	1.5
95.07319	1.8
95.08603	1.0
96.08117	5.2
97.02872	2.8
97.06512	1.2
97.16428	0.5
99.04414	1.1
103.05438	1.5
105.07018	1.6
106.06554	0.8
107.07310	1.8
107.08561	0.9
108.04501	0.6
108.08103	8.9
109.02861	3.3
109.06456	0.8
109.10110	0.6
110.09664	7.9
111.04424	0.6
118.06521	1.0
119.04938	0.6
120.04454	1.4
120.08077	7.8
121.02864	1.3
121.06493	1.0
121.10138	0.5
122.06011	8.9
122.06839	0.9
122.09650	3.7
123.06937	0.5
124.07603	2.8
126.09180	1.1
127.03902	2.1
131.04890	1.1
133.10072	0.6
134.09630	1.1
135.04424	0.6
135.06818	0.6
136.07547	15.4
137.05939	2.7
137.09613	0.6
138.05466	1.3
138.09111	11.0
139.06236	0.6
140.07031	0.8
144.04451	1.1
146.05997	1.1
147.04382	2.5
148.07533	6.5
150.09113	3.8
151.03952	0.9
152.07060	2.3
152.10722	0.8
154.08615	3.1
160.07574	1.4
162.05460	1.2
163.03873	6.0
163.07603	0.8
164.07062	2.4
164.10768	0.8
166.08615	16.6
167.06990	0.8
168.10139	1.0
172.03896	4.5
172.05188	0.6
176.07188	0.8
177.05453	0.7
178.08592	0.9
180.06581	1.0
180.10239	1.2
182.08139	1.4
182.11736	1.1
184.07410	0.7
185.31039	0.5
188.06990	1.1
190.05005	1.3
194.08134	1.8
197.10657	1.0
199.06084	0.7
204.06573	3.6
209.10773	0.8
211.08684	0.7
212.09375	0.8
213.10168	0.8
221.10620	0.6
222.07741	0.9
223.08583	3.8
224.09393	1.4
225.10222	1.5
226.10786	0.6
227.11835	1.0
235.08682	2.0
236.09328	2.5
237.06613	0.7
237.10228	6.3
238.07336	0.8
238.10895	1.5
239.08159	2.1
239.11725	2.6
240.08934	0.9
240.12416	0.7
241.09724	1.8
243.11063	0.6
247.08505	0.7
248.09338	1.2
249.10271	1.8
250.07425	2.4
250.11035	0.6
251.08122	8.5
251.11765	2.7
252.08995	2.2
253.09683	7.9
254.10405	1.1
255.11255	3.9
263.08243	1.8
263.11682	0.6
264.08841	5.0
265.09671	12.4
266.10471	3.1
267.07666	1.8
267.11301	6.2
268.08313	0.7
268.11935	0.7
269.09140	1.4
269.12839	0.9
277.09686	1.8
278.06970	1.6
278.10483	0.8
279.07666	10.6
279.11279	5.0
280.08435	2.5
280.11771	0.7
281.09167	9.0
281.12598	1.1
282.09921	1.7
283.10645	3.0
285.12488	1.0
289.09723	1.0
291.07852	0.9
291.11200	0.8
292.08405	6.5
293.09140	14.0
294.09903	5.7
295.10684	4.9
296.11481	1.9
297.08994	1.2
297.12338	4.8
299.10263	2.0
301.11865	2.2
305.09006	0.7
307.10712	7.5
308.11441	1.6
309.08987	1.1
309.12393	4.5
310.09451	1.1
311.10251	6.0
311.13693	0.6
312.10977	1.2
313.11728	4.7
314.12665	0.8
315.13565	1.1
320.07849	2.5
321.08640	3.9
322.09216	0.8
323.10248	2.1
323.13809	0.7
324.10925	1.0
325.11758	6.5
326.12283	1.0
327.09830	0.7
327.13483	1.7
329.15552	0.6
335.10202	8.0
335.51480	0.5
337.11917	1.1
338.08908	1.4
339.09668	3.2
339.13489	2.7
340.10242	0.7
341.11090	2.7
344.14001	1.1
346.36685	0.6
352.10327	0.7
353.11172	5.8
355.12875	2.3
356.14050	0.8
357.14682	1.4
358.11646	0.8
358.15625	0.9
359.12399	0.6
367.12878	1.8
369.10947	0.5
370.11749	0.7
371.12436	1.8
372.13269	1.3
372.17355	0.8
373.14066	0.8
383.12363	0.7
384.13373	0.7
385.14038	1.9
386.14905	1.6
395.12259	3.0
400.16962	1.1
401.17587	0.7
402.18744	0.8
404.15927	1.0
409.13846	0.9
410.15219	0.8
413.13312	0.9
414.14392	1.5
415.15167	1.2
418.17679	2.3
425.13361	0.9
427.15167	1.1
428.15869	1.0
446.17090	3.3
450.20740	0.7
455.14520	2.0
457.15759	0.9
460.18793	1.0
461.13483	0.7
464.18118	0.7
467.14392	1.4
469.16043	1.4
472.14935	0.9
478.19623	2.9
479.14459	2.0
485.15350	3.9
487.17096	2.0
488.17999	3.0
497.15399	7.4
498.15823	0.8
498.37503	0.8
499.17233	1.1
506.19284	2.0
511.17426	0.7
516.38782	1.2
517.18176	1.7
520.20776	3.3
529.18225	1.6
538.21436	0.8
548.20361	0.7
580.22589	1.8
604.22455	0.9
606.24518	0.7
614.21399	2.3
622.23810	2.5
632.21930	3.6
636.25940	0.9
646.23639	4.0
650.23303	26.6
651.24042	1.3
654.27039	2.5
664.24719	5.9
682.25928	100.0
683.26392	7.6
714.28455	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	714.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.4
55.05500	0.3
56.05032	2.0
57.03412	0.8
58.06570	1.8
59.07375	0.4
60.08156	18.0
61.02920	0.4
63.39526	0.2
65.71366	0.2
67.05484	1.6
68.05825	0.3
69.03409	1.1
69.07056	0.7
70.06573	1.6
70.36570	1.3
71.04969	0.7
71.07363	7.0
79.05483	1.5
81.03415	1.1
81.07048	2.0
83.04940	0.3
85.02886	1.9
85.06536	0.2
86.09693	52.6
87.10028	0.4
91.05464	1.4
93.07023	1.6
94.06557	0.3
95.04957	0.8
95.08598	1.2
96.08170	0.2
97.02871	1.1
97.06506	0.7
98.98448	4.3
99.04470	0.4
100.12421	0.2
104.10727	100.0
105.07008	1.0
105.11069	0.6
107.04932	0.3
107.08597	1.0
108.04460	0.2
109.02876	0.7
109.06509	0.3
109.10143	0.9
116.99488	0.3
117.06972	0.3
119.04932	0.8
119.08569	0.8
120.08080	0.4
121.10136	0.9
124.99984	29.2
125.05897	0.2
127.03856	0.6
131.04936	0.7
131.08542	0.4
133.10127	0.6
135.11714	0.7
136.07646	0.4
137.05974	1.2
137.09642	0.2
143.01042	0.3
145.10068	0.2
147.04378	2.1
147.11656	0.3
149.09541	0.4
151.03862	0.3
159.11725	0.3
161.05885	0.3
161.13440	0.3
163.01553	0.6
163.03914	0.9
163.10956	0.3
166.08656	1.0
167.07033	0.4
167.69147	0.2
169.10117	0.3
175.07474	0.3
177.05447	0.6
181.04938	0.6
184.07315	89.9
185.07669	0.5
199.03694	0.3
258.10999	0.7
265.09882	0.3
279.11356	0.4
293.09192	0.4
297.21945	0.2
311.04263	0.3
325.11618	0.3
327.13052	0.3
339.13635	0.3
351.25433	0.4
355.12891	0.4
356.57877	0.3
367.12906	0.7
469.20660	0.4
520.20691	1.9
534.31879	3.7
552.32880	48.9
553.33508	1.8
598.53540	0.3
696.37189	3.0
714.38190	13.2
715.35541	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	714.55
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.05507	6.1
56.05033	3.6
57.07068	3.2
58.06580	0.8
59.84355	0.5
60.04520	3.3
65.03915	0.8
67.05502	12.0
68.05026	0.8
69.03415	1.8
69.07061	7.6
70.06573	2.2
71.08641	2.3
72.74581	0.5
79.05488	9.5
80.05002	2.4
81.03406	0.6
81.05786	1.6
81.07046	10.3
82.06567	6.3
83.08604	4.9
85.02878	2.2
85.10197	1.1
91.05470	8.9
93.07027	9.9
94.06554	16.8
95.04933	1.7
95.07341	7.1
95.08590	8.3
96.08118	5.2
96.95714	0.5
97.02900	1.4
97.10155	3.2
98.06069	0.4
105.07015	6.4
107.08583	5.7
108.08107	3.0
109.08865	0.6
109.10159	3.1
110.09612	0.7
111.11685	1.1
119.08553	6.2
121.10137	6.6
122.09629	2.7
123.11678	1.8
124.11182	0.8
133.10098	3.5
135.10771	0.5
135.11687	3.6
136.11148	0.6
139.11217	0.5
141.14555	0.6
147.11676	1.5
149.13231	1.6
193.19402	0.5
219.21089	0.8
228.70807	0.5
233.22633	3.5
234.22206	0.6
245.22652	4.3
250.25259	8.5
254.24762	1.5
254.29877	0.6
262.25272	100.0
263.23257	0.7
263.25638	5.5
272.25858	3.8
280.26340	6.5
504.47858	3.5
516.47736	21.9
517.48108	2.3
518.49316	3.9
534.48779	11.7
535.48657	0.8
607.97595	0.6
620.09540	0.6
696.53558	2.3
734.41528	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.05505	8.3
56.05037	5.0
57.07059	3.2
58.06570	0.9
60.04506	2.7
67.05493	12.6
68.04970	1.1
69.03400	1.6
69.07055	8.5
70.06569	2.5
71.08625	1.8
71.66189	0.9
71.66529	1.3
79.05485	11.3
79.39632	0.8
80.04995	3.3
81.05808	1.2
81.07040	12.3
81.52601	0.8
82.06565	6.8
83.08598	7.3
85.02883	2.7
85.10165	1.1
86.06060	0.9
91.05462	12.0
93.07032	10.4
94.06551	20.7
94.07143	1.2
95.04951	1.6
95.07341	9.6
95.07934	1.1
95.08041	1.1
95.08595	9.2
96.08115	7.9
97.10149	3.5
105.07018	7.3
107.07320	1.1
107.08568	6.0
108.08085	3.5
109.10133	2.7
111.11745	1.0
119.08543	6.1
121.10117	5.4
122.09648	2.6
123.11665	1.5
124.11171	1.3
133.10112	3.1
135.00993	0.9
135.11671	3.2
147.11668	1.7
149.13211	1.2
150.20258	0.8
155.63252	0.9
161.13264	1.2
173.73035	0.8
183.25658	0.9
192.58714	0.8
193.19548	1.1
233.22614	3.3
245.22620	6.6
250.25256	6.7
254.24686	1.1
262.25262	100.0
263.23291	0.9
263.25668	6.9
272.25729	6.7
280.26294	7.7
348.28687	0.8
504.47510	4.8
516.47693	28.9
517.47913	2.6
518.49335	4.6
534.48676	14.8
535.49561	1.5
696.53711	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	715.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43313	0.9
51.02382	0.9
53.03943	2.1
55.01859	2.9
55.05509	7.2
57.03431	2.5
65.03945	5.2
67.05495	62.0
69.03424	4.9
69.07047	3.4
71.04974	1.8
71.70738	1.3
77.42192	1.0
79.05482	16.5
80.00579	0.9
81.03415	9.1
81.07048	18.0
81.07533	1.2
83.04968	2.6
83.08612	3.0
83.95135	0.9
85.02891	2.3
85.12399	0.9
85.38163	0.8
91.05467	18.0
93.07030	14.5
95.04955	100.0
95.08585	10.2
97.02911	1.4
97.06535	3.3
97.10151	1.0
101.06000	0.9
101.94224	0.8
103.05485	1.2
105.07015	16.5
107.04948	9.1
107.08568	7.0
109.02837	2.0
109.06519	6.4
109.10143	2.8
111.08089	3.1
114.81860	0.9
115.05437	1.7
117.06986	5.9
119.08541	8.5
121.06503	5.9
121.10141	2.8
123.08084	2.3
123.11721	0.9
125.09591	0.9
127.03936	1.5
128.06212	3.3
129.07010	6.1
131.08527	10.2
133.06482	3.1
133.10114	4.9
135.07997	1.9
135.11665	4.8
137.05934	2.8
141.06956	2.2
143.08540	9.5
145.06473	2.9
145.10100	8.8
147.08012	7.1
147.11627	4.5
149.09618	2.0
149.13243	2.2
155.08510	1.9
157.06464	1.4
157.10092	2.0
159.08075	1.5
159.11687	2.9
161.09564	2.1
161.13200	1.3
163.11182	3.0
167.08589	0.9
169.10117	2.2
171.11717	2.6
173.04498	3.3
173.13268	1.4
177.12717	2.1
181.10052	1.2
183.11731	1.3
185.09662	1.5
185.13278	1.9
187.11177	1.9
189.12672	1.3
205.12210	1.5
207.13805	1.8
227.17963	1.6
237.16489	2.3
245.19121	1.4
255.17297	1.5
269.15390	2.0
273.18463	41.0
274.18723	1.0
281.17471	3.2
287.16245	2.5
291.19406	6.2
347.22128	12.8
407.20462	1.8
409.54230	0.9
425.21439	5.6
474.69540	0.9
486.04526	1.0
539.38025	0.9
553.35095	13.6
697.39709	5.0
715.42084	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	716.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01846	4.8
55.05234	1.4
55.05502	21.8
57.03195	1.2
57.03432	12.9
57.07072	7.1
59.04982	1.9
59.67234	1.3
61.02924	5.8
67.05497	18.8
68.73214	1.2
69.03391	1.9
69.07060	22.6
71.04970	3.8
71.08618	2.1
71.25451	2.1
71.25792	2.5
79.05486	15.9
81.03403	7.1
81.07048	23.9
82.07413	1.2
83.01321	6.3
83.04977	8.4
83.08608	19.0
85.02897	5.9
87.04475	1.1
91.03946	1.6
91.05463	8.6
93.07028	25.3
95.04951	4.8
95.08597	18.0
97.02870	3.7
97.06511	6.0
97.10151	10.0
99.04430	1.5
103.05418	1.2
105.07021	5.5
107.04937	4.5
107.08584	12.2
109.06499	6.0
109.10129	4.8
111.08054	3.5
111.11696	1.8
117.07003	3.5
119.08548	6.2
121.06490	2.5
121.10119	11.9
122.94194	1.2
123.08042	5.9
123.11679	1.9
125.05917	1.2
125.09612	2.2
129.06978	1.2
129.17171	1.1
131.08569	1.6
133.10110	2.0
135.08009	1.4
135.11674	14.3
137.13188	1.8
145.10086	10.3
149.09576	1.5
149.13191	3.3
153.12744	2.4
157.10320	1.1
163.11174	16.8
173.09601	2.8
181.12164	2.7
184.07379	2.1
191.10619	1.8
200.46608	1.3
201.29652	1.2
209.11688	4.7
219.21133	2.3
227.12833	2.6
237.22038	1.9
277.52341	1.0
283.15366	100.0
304.21085	1.2
311.25754	71.1
386.39951	1.2
437.16174	1.2
519.36743	43.0
520.36835	1.6
717.42584	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.6
54.19558	1.7
55.01857	16.1
55.05502	32.0
57.03431	13.4
61.02908	2.0
65.03915	6.6
67.05489	84.5
69.03412	21.3
69.07050	26.3
70.06551	2.9
71.01324	2.8
71.04983	14.8
71.71143	3.7
73.02898	3.5
79.05482	100.0
81.02940	2.9
81.03400	56.6
81.07040	83.4
83.04961	16.7
83.08596	13.2
85.02893	20.7
85.06519	4.6
87.04436	2.5
91.05463	86.2
93.07029	76.1
95.01320	2.9
95.04952	32.8
95.08590	48.0
97.02874	16.0
97.06516	13.2
97.10159	12.6
99.04424	8.4
101.02348	2.1
101.06007	2.5
103.05425	5.2
105.04537	2.1
105.06337	4.3
105.07015	66.9
107.04942	21.1
107.08576	39.9
109.02863	13.2
109.06498	17.9
109.10116	18.6
111.04417	3.0
111.08039	7.0
113.06036	2.6
115.05415	6.9
117.07003	27.9
119.08558	47.7
121.06493	12.6
121.10130	18.7
123.04409	4.1
123.08060	11.7
123.11706	5.9
125.09594	7.9
127.03896	11.8
128.06213	6.6
129.05475	4.9
129.06975	24.1
130.07724	2.9
131.04858	3.0
131.08531	29.0
133.06477	8.1
133.10101	26.1
135.04381	2.4
135.08026	11.1
135.11723	12.0
137.05920	2.2
137.09583	6.5
139.11139	3.1
141.06967	6.0
142.07692	4.4
143.08516	18.1
145.06468	9.0
145.10091	29.9
147.04341	3.3
147.08015	8.3
147.11649	28.2
149.05919	2.6
149.09587	14.9
149.13220	4.2
151.11143	3.5
153.07024	2.0
155.08533	9.1
157.06464	3.3
157.10107	11.5
159.08067	5.9
159.11620	14.6
161.09581	7.2
161.13231	12.2
163.03905	2.8
163.11168	11.7
165.06924	2.4
165.12759	2.4
167.08548	4.0
169.10110	6.4
171.08032	4.4
171.10272	2.5
171.11638	24.2
173.04471	16.4
173.05843	3.2
173.09535	6.0
173.11780	2.8
173.13235	10.0
175.07463	2.6
175.11163	3.7
177.12740	7.4
179.08398	2.4
179.14246	2.6
181.10110	5.5
183.07983	2.6
183.11732	4.6
185.09587	4.3
185.13223	4.5
187.11113	2.7
187.14784	2.5
189.11247	3.1
189.12668	9.7
195.11700	3.5
197.09665	2.2
197.13170	4.5
199.14772	4.1
201.12672	3.5
205.15869	2.2
207.11928	3.7
207.13693	17.3
209.13196	2.9
215.14241	3.0
219.13744	2.0
225.14670	2.1
227.12656	3.1
229.14151	2.7
229.19510	2.3
233.13089	2.8
239.17902	5.0
247.20522	5.3
251.14360	2.4
257.18970	10.5
259.16870	2.9
264.08957	1.9
269.15271	3.7
273.18451	2.7
275.20010	58.8
275.23022	3.0
279.15933	2.3
281.17365	25.4
287.16202	9.1
293.21085	5.8
349.23624	19.8
351.23425	1.9
401.22855	3.0
407.20172	3.0
419.23856	3.2
425.21466	4.0
521.30682	2.7
537.35919	4.1
555.36719	29.7
556.37396	2.7
597.37878	2.3
605.47229	2.5
650.43604	2.0
653.40082	2.0
699.40332	7.1
717.42065	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	717.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	2.0
53.03936	20.0
54.04185	1.7
55.01865	13.1
55.05502	33.9
57.03424	15.6
57.07065	2.8
59.04980	2.6
61.02921	3.1
65.03931	5.6
67.05139	4.6
67.05495	91.7
69.03419	27.5
69.07055	29.9
71.01321	3.0
71.04988	9.7
73.02886	2.5
79.05482	96.9
81.03405	94.3
81.07042	93.1
81.07441	1.8
81.07530	3.1
83.04969	25.6
83.08605	13.0
85.02885	13.8
85.06509	5.4
89.97187	2.0
91.05464	100.0
93.07030	92.4
95.04953	34.9
95.08594	51.2
97.02882	25.6
97.06513	12.8
97.10126	9.4
99.04446	10.2
99.08089	3.7
103.05454	4.6
104.06261	2.1
105.07014	85.3
105.07719	4.4
107.04929	18.6
107.08564	37.5
109.02199	2.1
109.02847	14.7
109.06490	13.0
109.10152	23.2
111.04427	4.5
111.08057	4.9
113.09534	2.5
115.05434	3.4
117.07004	31.4
118.37859	2.1
119.07744	3.0
119.08566	47.2
120.08920	2.8
121.06461	7.4
121.10136	22.2
123.04389	4.4
123.08019	8.8
123.11652	5.8
125.09630	4.1
127.03913	13.9
128.06200	7.2
129.05460	2.9
129.06993	30.8
130.07732	2.1
131.08536	29.1
133.06488	4.5
133.10110	41.0
135.08006	8.8
135.11646	10.1
137.09586	7.1
139.11052	2.1
141.06975	5.5
142.07640	2.4
143.08543	16.9
145.06471	6.6
145.10112	32.4
147.08025	6.1
147.11668	42.1
149.09547	12.2
149.13225	7.1
151.11093	4.8
153.07005	3.0
155.08511	7.2
157.10114	11.7
159.08038	3.2
159.11687	15.6
161.09579	6.3
161.13283	11.9
163.11150	7.6
163.14781	2.6
164.97453	2.4
165.09004	2.2
165.12701	2.9
167.08539	3.3
169.10088	8.1
171.08022	2.9
171.11673	30.0
173.04443	34.5
173.09549	2.9
173.13202	10.4
175.11160	4.9
177.12698	5.3
179.14139	2.8
181.10065	4.0
183.08066	3.3
183.11635	8.6
185.09563	2.1
185.13261	5.9
187.11115	7.0
187.14861	3.0
189.12695	9.6
190.94713	2.1
191.14328	3.7
195.11505	3.1
197.13173	3.9
199.05949	5.5
201.12723	3.2
207.13799	22.6
209.13211	3.3
211.11357	2.6
213.16411	2.8
215.14268	3.2
223.14862	3.2
225.14638	2.9
229.19528	2.8
239.17834	4.6
245.15637	2.4
247.20560	4.9
257.18970	13.5
259.16995	2.8
273.18515	2.8
275.20038	54.6
276.20297	2.8
279.15930	3.2
281.17438	35.3
287.16559	3.9
293.20895	3.8
299.19800	3.6
310.21628	2.1
329.20901	2.9
342.10736	2.2
349.23651	16.5
383.22009	2.0
419.24451	3.2
456.73141	2.2
457.29327	2.2
475.30115	7.1
493.27731	3.8
527.37537	5.0
537.35541	9.3
555.36816	38.6
556.36902	3.0
573.37872	4.6
592.54828	2.3
619.34723	14.8
620.35352	2.4
699.40442	3.6
717.19147	2.1
717.44104	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	717.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.4
53.03935	14.5
55.01856	13.1
55.05502	35.8
57.03424	10.3
57.07056	3.2
60.02359	1.4
61.02920	1.7
65.03923	5.7
66.84456	1.6
67.05493	84.6
69.03416	29.3
69.07056	29.3
71.04963	11.4
71.08607	2.0
73.02905	2.6
77.03915	2.3
79.05479	97.8
81.03402	70.5
81.07042	89.5
83.04964	26.0
83.08605	15.9
85.02898	15.6
85.06516	5.0
91.05463	100.0
93.06428	4.5
93.07027	88.0
95.04952	31.1
95.08587	47.8
97.02860	20.2
97.06502	13.4
97.10145	8.4
98.21495	2.6
99.04396	8.9
99.08069	3.7
103.05453	4.3
103.83321	1.6
105.04523	2.8
105.07013	74.4
107.04932	20.2
107.08569	39.0
109.02853	14.9
109.06489	12.8
109.10136	22.2
111.04410	3.7
111.08047	2.9
115.05415	3.8
117.06992	27.3
119.04919	2.4
119.08555	53.4
121.06517	8.6
121.10133	18.0
123.08021	9.7
123.11665	2.9
125.09619	4.7
127.03882	14.8
127.07597	2.1
128.06207	9.9
129.05472	4.5
129.06975	24.6
131.04915	4.5
131.08545	30.9
133.06458	7.8
133.10103	29.0
135.08011	8.5
135.11662	12.0
137.09608	5.9
141.06996	6.0
142.07788	3.0
143.08557	20.9
145.06480	7.1
145.10094	32.1
147.08022	7.1
147.11659	34.9
149.09596	8.2
149.13239	6.1
151.11111	4.0
155.08516	7.0
156.09291	2.8
157.06473	4.2
157.10103	12.6
159.08026	5.3
159.11676	18.6
161.09587	6.9
161.13251	11.8
163.11137	9.1
165.12766	2.3
167.08533	4.0
169.10104	9.0
171.07974	5.6
171.11667	30.1
173.04431	21.9
173.05894	3.0
173.09644	3.1
173.13223	8.9
175.11215	3.5
177.12712	4.8
179.14270	3.4
181.10115	4.5
183.11658	7.7
185.09511	2.7
185.13229	5.4
187.11313	3.5
189.11292	4.3
189.12759	8.0
191.14224	3.2
195.11678	2.6
197.13174	5.5
199.05994	4.2
201.12746	2.0
207.11818	3.0
207.13747	24.4
213.12680	2.8
215.14314	2.5
219.17227	2.1
225.12814	2.2
227.12704	2.6
229.19522	4.1
229.44124	2.2
239.18054	4.3
241.10817	2.8
247.20622	5.5
257.18896	12.8
259.16898	2.2
273.18420	2.9
275.20029	62.4
279.16031	4.1
281.17380	37.4
287.16370	6.9
287.19687	2.4
293.21103	5.8
299.19955	2.2
315.15710	2.2
349.23608	17.8
350.24210	2.0
378.72089	2.0
383.21893	3.0
401.23260	2.5
407.20416	2.6
425.21661	3.0
475.30569	4.3
493.27567	2.4
527.36987	3.5
537.35388	7.4
555.29053	2.6
555.36859	39.1
556.37360	2.6
573.37518	4.4
597.37531	3.3
619.34497	6.5
634.39001	1.8
681.39148	3.6
699.40564	5.2
717.41748	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	717.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.2
53.03934	11.6
55.01864	29.4
55.05502	22.9
57.03431	8.7
57.07074	1.2
60.38101	1.1
61.02908	1.2
65.03919	4.9
67.05492	67.5
68.99780	1.5
69.03415	15.8
69.07059	36.8
71.04976	7.4
73.02881	1.6
76.29065	1.0
77.03918	1.5
79.05479	71.7
81.03403	35.4
81.07040	79.9
83.04963	16.4
83.08606	12.9
84.85766	1.3
85.02898	11.8
85.06511	3.0
91.05463	94.1
92.05790	1.9
93.07028	62.3
94.07355	1.4
95.01331	9.6
95.04955	29.1
95.08592	50.7
97.02861	8.6
97.06517	47.7
97.10133	3.0
99.04422	4.1
99.08093	1.5
103.03906	1.5
103.05449	5.3
104.06247	1.3
105.04536	2.2
105.07011	100.0
106.07346	1.3
107.04939	34.8
107.07908	2.0
107.08575	29.5
109.02865	7.1
109.06497	8.6
109.10136	14.2
111.04407	3.5
111.08064	4.1
113.09621	1.3
115.05430	6.3
116.06215	1.6
117.07001	30.2
119.04916	2.3
119.08561	53.1
121.06483	8.6
121.10139	14.1
121.50015	1.1
123.04384	4.5
123.08051	8.7
123.11662	1.4
125.09626	3.0
127.03875	5.1
128.06198	4.1
129.05489	2.6
129.06982	19.2
130.07674	1.5
131.04880	2.5
131.07535	1.4
131.08546	41.5
133.06480	7.2
133.10109	52.0
135.04416	1.7
135.08020	6.2
135.11671	11.8
137.05949	1.5
137.09575	4.4
139.07474	2.5
141.06914	6.8
142.07741	2.6
143.08546	15.8
144.09349	1.4
145.06477	9.2
145.10104	28.2
147.08041	7.4
147.11659	28.8
149.09589	10.7
149.13237	6.6
151.11154	2.9
153.06947	1.3
153.09024	1.2
154.07751	1.4
155.08524	8.4
157.06458	4.1
157.10091	8.3
159.07979	5.6
159.11642	16.7
161.06059	1.4
161.09563	4.1
161.13234	10.2
163.11165	6.1
163.14775	1.6
165.09068	2.5
167.08514	5.2
168.09319	1.3
169.10068	8.4
171.08046	4.7
171.11664	10.6
173.04471	6.7
173.05679	1.5
173.09615	1.9
173.13210	7.9
175.07478	1.4
175.11108	2.6
175.14755	2.3
177.08990	1.1
177.12717	5.5
179.14288	17.5
181.10112	3.0
183.11697	6.2
183.71292	1.2
185.09641	2.5
185.13203	4.2
187.11166	7.2
189.12672	6.0
195.11685	2.5
195.13744	2.1
197.13269	3.8
199.11180	2.4
201.12674	2.4
205.12180	1.6
207.12001	1.3
207.13730	6.5
209.13239	2.9
211.14796	2.3
213.16235	1.8
219.13786	2.5
219.17455	2.4
221.15382	1.5
223.14772	4.2
227.14172	1.4
228.56436	1.2
229.19476	2.3
229.75421	1.8
239.17917	3.9
241.14125	3.4
241.16096	2.6
245.15308	1.9
247.20564	3.7
251.14207	2.8
257.19012	7.5
259.17212	2.0
259.20624	3.2
263.16553	1.7
269.15283	5.8
273.18192	1.3
275.20023	95.9
276.20346	2.9
277.18073	1.8
279.15869	12.4
281.17377	9.1
287.16318	10.9
293.20987	5.6
305.17410	2.3
315.15970	1.9
333.16797	2.1
343.18912	2.1
347.98996	1.3
349.23700	31.8
350.24127	1.7
351.18265	1.4
361.19989	4.4
377.23004	1.4
379.20898	2.0
389.19122	1.4
407.20422	4.4
425.21637	12.4
463.31842	2.1
481.32819	1.6
527.37909	1.7
537.35974	6.4
543.55713	1.4
555.36792	39.0
556.36829	2.8
569.37854	2.1
580.26361	3.8
597.37860	1.9
635.38831	4.1
653.40631	1.5
663.38580	1.8
667.26459	1.9
681.39343	2.6
699.41016	10.5
717.42474	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	717.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.5
53.03938	14.3
53.85917	1.3
55.01868	13.0
55.05241	2.0
55.05501	37.8
57.03430	12.0
57.07060	2.6
59.04977	1.7
61.02911	2.8
61.34239	1.3
65.03922	7.0
66.29668	1.4
67.05494	91.5
68.05821	1.7
69.03422	29.1
69.07057	29.0
71.01337	2.2
71.04977	13.4
71.71417	2.3
72.25262	1.5
73.06503	2.1
77.03911	2.0
79.05480	100.0
81.03404	74.7
81.07042	88.3
83.04968	27.2
83.08606	16.3
85.02895	15.3
85.06521	6.4
91.05465	97.7
93.07027	87.5
95.01325	1.7
95.04399	2.6
95.04957	34.5
95.08588	49.9
97.02882	20.0
97.06513	16.8
97.10137	10.3
99.04430	11.0
99.08060	2.9
101.02325	1.9
103.03941	1.5
103.05453	5.0
105.04514	2.6
105.07013	77.1
107.04936	22.4
107.08575	46.8
107.09146	0.9
109.02870	14.8
109.06501	16.8
109.10138	22.0
111.04417	6.0
111.08058	5.6
115.05411	5.0
117.06989	31.4
119.04920	1.7
119.08562	53.2
121.06499	11.7
121.10109	19.5
123.04440	2.4
123.08059	9.9
123.11691	4.1
125.09594	5.4
127.03901	14.3
127.07493	1.7
128.06190	7.2
129.05464	2.9
129.06981	25.2
131.04880	2.7
131.07642	2.6
131.08548	34.5
133.06480	7.9
133.09183	2.0
133.10117	32.2
135.08070	10.2
135.11652	10.7
137.09581	6.1
139.07516	1.4
141.06949	6.6
142.07761	2.5
143.08537	22.6
145.06487	9.3
145.10092	29.9
147.08066	7.2
147.10564	2.6
147.11670	39.6
149.02243	1.4
149.09587	11.5
149.13214	4.8
151.11166	5.3
153.06969	2.1
154.07681	2.1
155.08554	9.2
157.06467	2.5
157.10109	10.8
159.08028	5.3
159.11674	15.5
161.05956	1.7
161.09663	6.7
161.13249	12.4
163.11165	9.6
163.14818	1.6
165.12747	2.9
167.08607	3.7
168.09290	1.7
169.10155	8.7
171.07983	5.3
171.11664	29.2
173.04445	23.9
173.05859	1.9
173.09587	4.5
173.11752	2.5
173.13196	9.4
175.11160	4.3
175.14734	1.7
177.12701	5.7
179.08524	2.0
179.14224	3.1
181.10123	4.3
183.11731	8.2
185.09540	2.8
185.13170	5.4
187.11133	3.0
187.14798	2.8
189.09224	1.9
189.11127	3.7
189.12735	10.5
190.81175	1.6
193.10144	1.6
195.11693	3.2
195.13843	2.3
197.09625	2.4
197.13229	4.1
199.05969	3.7
199.11101	1.8
199.14812	2.1
201.12755	2.1
201.16385	1.6
203.14215	2.4
205.11882	1.5
205.15773	1.4
207.11778	2.3
207.13745	18.5
209.13225	1.9
211.14822	1.7
213.12798	3.5
213.16444	1.8
215.10617	1.6
219.13651	1.6
221.13235	2.1
223.14857	2.2
225.16512	1.8
227.12718	3.8
229.14262	1.8
229.19397	4.4
231.13614	2.5
233.15341	1.5
239.17911	4.0
241.15933	1.7
247.20514	4.5
249.14781	2.1
255.17349	1.8
257.16232	2.2
257.18936	12.8
259.16934	2.2
259.20511	1.7
265.17886	1.6
269.15250	3.8
273.18457	4.3
275.07483	1.4
275.20007	64.6
277.21640	1.6
279.15784	3.4
281.17426	32.5
282.17673	1.8
287.16376	5.5
287.19925	1.6
291.19647	2.8
293.21014	5.9
305.17566	1.8
309.16638	1.6
315.15790	2.0
329.20544	1.4
331.22653	3.5
333.16928	2.2
341.20914	1.8
349.23724	22.1
373.23581	1.9
383.22220	2.5
401.22931	2.2
419.24142	3.6
425.21765	4.4
429.10913	2.0
443.17072	1.8
445.30707	2.1
463.31714	1.8
475.30716	3.6
493.27539	2.0
527.37201	4.2
537.35229	4.3
555.36816	34.2
556.37201	1.7
573.38092	3.3
597.37573	2.2
609.37183	1.7
619.34808	7.8
681.38965	2.4
699.40985	7.2
717.42340	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	717.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.9
53.03933	15.9
55.01855	28.4
55.05504	31.7
57.03434	12.9
57.07055	3.8
61.02921	3.7
65.03923	4.7
67.05499	78.1
68.26507	2.9
69.03418	18.0
69.07064	40.0
71.04978	9.2
73.02917	5.2
77.03925	3.0
79.05482	82.9
81.03408	55.4
81.07044	84.2
83.04967	21.8
83.08613	16.9
85.02891	19.1
85.06563	4.8
91.05469	97.2
93.07034	69.0
93.07542	1.8
95.01328	7.9
95.04958	30.1
95.08591	47.0
97.02879	16.6
97.06514	39.6
97.10150	5.5
99.04440	8.2
101.02351	3.1
103.03892	2.7
103.05433	2.6
105.07018	100.0
107.04949	30.0
107.08575	39.7
109.02841	12.6
109.06496	8.9
109.10132	21.1
110.63146	2.6
111.04443	3.4
111.08086	5.8
115.05444	6.2
117.07005	36.1
119.08566	50.3
121.06484	10.6
121.10139	15.9
123.08036	9.0
123.11710	5.4
125.09602	4.4
127.03894	11.4
128.06183	8.3
129.05464	5.0
129.06975	26.2
130.07750	2.4
131.04900	4.0
131.08551	44.0
133.06520	6.4
133.10106	48.2
135.08080	12.0
135.11658	15.0
137.09576	5.4
139.11168	3.4
141.06934	8.5
142.07800	4.3
143.08531	20.7
145.06485	10.0
145.10109	34.2
147.08018	8.7
147.11667	29.3
149.06006	3.4
149.09636	13.2
149.13271	6.0
151.11172	3.4
153.07048	3.9
154.07793	2.8
155.08513	12.1
157.06519	3.8
157.10164	10.8
159.08116	6.8
159.11707	19.1
161.09644	8.2
161.13216	14.8
163.07568	4.7
163.11171	8.0
167.08571	4.6
168.09415	3.8
169.10110	13.5
171.08008	4.0
171.11667	22.9
173.04466	9.6
173.09673	4.3
173.11856	3.3
173.13263	9.3
175.11189	5.2
175.14963	4.1
177.12755	8.3
179.14328	15.1
181.10144	6.8
183.08049	4.8
183.11685	10.5
184.07373	4.0
185.09613	3.6
185.13318	9.5
187.11154	6.9
189.12758	7.5
195.11685	3.8
197.13293	7.3
199.14795	3.9
201.12764	2.8
207.11874	4.7
207.13632	12.3
219.13689	2.9
221.13254	3.6
223.14955	4.4
223.87895	2.6
231.13763	2.9
239.18042	4.0
251.14247	3.6
257.18909	13.7
269.15369	3.9
273.18356	3.7
275.20016	85.8
279.15979	10.0
281.17398	14.7
287.16397	9.2
293.21277	4.5
343.18686	3.0
349.23727	26.7
350.24377	3.0
407.20267	2.9
425.21625	10.5
435.32339	3.0
445.30835	3.6
463.32098	5.9
481.32809	4.2
527.37518	3.9
534.64771	2.6
537.35968	13.1
555.36786	61.1
556.36963	4.0
573.37933	3.8
581.85529	3.0
597.37085	4.4
635.38843	5.2
681.39362	4.0
699.40564	11.0
717.44086	22.3
739.76514	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	717.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.7
54.97143	1.8
55.01870	17.4
55.05500	33.1
57.03436	12.1
57.07063	4.2
57.13409	1.6
61.02901	2.6
61.93816	2.1
65.03926	7.3
67.05494	88.8
69.03419	27.0
69.07057	35.0
71.01336	2.6
71.04991	9.8
73.02895	5.6
73.06538	2.0
75.77870	1.8
79.05480	100.0
81.02935	4.0
81.03401	57.7
81.07044	90.2
83.04964	21.7
83.08604	16.3
85.02900	16.2
85.06507	5.1
91.05468	85.8
91.06042	3.9
93.07030	84.2
95.04955	30.7
95.08590	54.0
97.02886	19.1
97.06522	19.5
97.10157	12.5
99.04442	8.2
99.08059	2.9
100.45475	1.8
100.93754	1.7
103.03944	2.3
103.05456	4.5
105.04462	2.0
105.07008	70.8
107.04933	25.3
107.08572	50.5
109.02863	13.6
109.06484	19.4
109.10131	26.3
111.04417	6.2
111.08060	7.6
115.05456	7.9
117.06185	2.5
117.07006	33.3
119.04888	1.9
119.06179	2.8
119.08563	51.2
121.06476	13.2
121.10129	24.2
123.04388	4.4
123.08060	9.4
123.11685	5.7
125.09582	6.2
127.03899	13.2
127.07523	2.2
128.06189	5.5
129.05461	3.3
129.06992	27.9
130.07741	2.7
131.08545	35.8
133.06448	8.8
133.10097	27.9
135.08023	12.7
135.11678	10.6
137.05894	3.1
137.09570	8.1
139.07521	2.3
141.06961	7.8
142.07751	3.6
143.08546	20.5
145.06458	7.4
145.10103	32.0
147.08012	6.6
147.11670	40.2
149.09601	15.4
149.13254	4.5
151.11137	2.2
153.09123	2.4
154.07668	2.3
155.08521	10.5
157.06491	4.2
157.10081	12.7
159.08041	6.0
159.11662	19.7
161.09593	9.1
161.13235	13.1
163.03848	3.7
163.11128	12.6
165.07054	2.0
165.09120	2.9
165.12741	3.9
166.42659	2.2
167.08577	5.5
169.10104	10.5
171.08069	5.3
171.11646	28.1
173.04428	14.1
173.09616	5.7
173.11757	4.4
173.13225	12.0
175.11150	4.7
177.12758	5.4
179.08482	2.7
179.14313	6.5
181.10103	4.4
183.06462	2.5
183.11679	8.8
185.09575	3.8
185.13216	5.2
187.11133	5.3
187.14749	3.8
189.11302	3.4
189.12709	11.1
191.14078	2.4
195.11736	4.4
195.13626	2.2
197.13240	5.9
199.14812	3.5
201.12737	4.6
205.12306	2.5
207.11801	4.2
207.13773	17.6
209.13248	2.8
211.11336	2.4
213.12616	2.6
220.93137	2.2
225.14720	2.9
227.12708	6.2
229.14307	3.7
229.19514	4.7
233.13097	2.2
239.18005	5.6
243.89227	1.9
245.15831	2.1
247.20566	5.8
251.14311	2.1
257.18988	13.6
259.16934	3.4
269.15485	3.2
273.18582	4.1
275.20016	67.9
279.16135	2.4
281.17429	33.9
287.16339	6.2
291.19751	2.8
293.21042	7.5
297.25476	2.1
331.22726	3.3
349.23645	23.4
351.17926	2.3
353.20813	2.2
367.24557	2.1
389.19437	2.6
419.24203	3.0
425.21521	3.2
435.27563	5.6
439.23853	2.2
451.08508	2.4
489.28754	2.4
493.27722	2.7
521.31427	2.4
537.35516	5.1
555.36841	41.2
573.37616	2.3
663.37872	3.0
681.39429	2.3
699.39728	5.7
717.41742	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	718.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.3
55.01847	5.3
55.05500	22.1
57.03429	10.7
57.07054	1.3
59.04993	3.4
59.64266	0.9
61.02912	3.2
63.58392	1.1
64.32145	1.1
64.74259	1.3
65.03930	3.7
67.05495	100.0
67.47285	1.0
68.05830	1.3
69.03417	9.2
69.07059	17.2
69.38647	13.4
71.04985	6.2
73.02885	1.8
79.05026	1.9
79.05482	34.3
80.05808	1.4
81.03411	19.4
81.07043	47.0
82.03736	1.0
82.07357	1.8
83.04958	9.8
83.08602	12.1
85.02876	7.4
85.06528	4.3
86.09677	1.6
91.05463	35.5
92.05807	1.6
93.07033	33.6
94.07394	2.0
95.04965	9.2
95.08593	22.5
96.05263	1.1
97.02869	7.2
97.06493	10.3
97.10152	9.4
97.37714	1.2
98.21401	2.0
99.04456	2.2
99.08082	2.5
103.03894	1.1
105.07017	27.1
106.07333	2.4
107.04951	8.0
107.08580	22.2
109.02875	3.9
109.06512	4.6
109.10137	67.2
110.10507	1.3
111.04416	3.0
111.08102	5.4
113.05997	1.7
115.05379	1.3
116.97818	1.2
117.07005	11.3
119.08561	22.0
120.08884	1.5
121.06468	4.3
121.10113	9.9
123.04398	1.9
123.08045	3.6
123.11685	2.5
125.09592	6.1
127.03899	4.6
127.11157	1.3
128.06190	1.2
129.05473	1.2
129.06982	4.5
131.08562	13.2
133.06471	3.2
133.10109	12.9
135.08028	3.6
135.11693	7.7
137.09613	5.9
143.08562	3.8
145.06439	2.3
145.10077	11.2
147.08023	3.3
147.11655	8.4
149.09593	7.4
149.13219	4.6
155.08597	1.8
155.10672	2.4
157.10118	4.4
159.08032	1.9
159.11668	9.8
161.09599	2.1
161.13231	3.5
163.11150	6.4
169.10101	1.5
171.11705	4.2
173.04442	3.1
173.11729	16.9
173.13226	3.4
175.14955	1.3
177.12730	2.3
179.08543	1.1
179.14252	1.6
181.12251	1.3
183.11670	1.8
184.07280	2.0
185.13303	1.4
189.11194	4.1
190.22710	1.1
191.10620	1.9
195.13710	1.8
197.13234	1.9
199.14792	1.6
207.13821	2.3
211.11137	1.1
223.14781	1.3
227.12735	14.9
229.14310	51.6
229.19377	1.9
239.17923	1.9
247.20444	1.3
255.15887	3.2
257.18869	6.0
258.19473	1.4
269.17441	8.5
275.20020	25.5
276.20419	2.6
281.17603	1.8
282.17767	1.5
283.15524	1.4
309.20328	1.5
328.73666	1.1
331.22726	2.2
349.23691	18.6
399.23947	3.7
409.25882	13.7
413.21231	1.3
423.27353	48.3
424.27679	2.0
485.32306	1.5
503.33615	22.2
521.34558	4.3
539.33417	2.1
556.36719	4.8
557.34375	3.4
567.30969	1.7
718.42377	2.7
719.37262	1.5
731.89264	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28210	1.0
55.01872	4.8
55.05503	8.5
57.03436	8.7
57.07069	21.0
59.04995	2.1
61.02919	3.8
67.05496	8.2
69.03422	1.2
69.07074	5.6
69.37291	10.4
69.37700	1.9
71.05011	1.2
71.08628	14.2
79.05486	9.8
81.03408	6.2
81.07054	15.5
83.01305	5.1
83.04987	5.6
83.08620	10.2
85.02921	5.6
85.10161	8.0
91.03951	1.7
91.05467	5.7
93.07042	11.4
95.04954	3.7
95.08595	11.0
97.02872	4.5
97.06538	2.6
97.10155	2.8
98.21478	2.4
99.33011	0.9
105.07009	5.8
107.04938	3.5
107.08614	6.1
109.06506	1.9
109.10152	7.0
111.04424	1.5
111.08087	1.1
111.75006	1.2
117.07017	3.0
119.08572	3.5
121.10148	4.5
123.08064	4.1
123.11732	1.6
131.08516	1.3
133.10176	1.1
135.08014	1.6
135.11687	7.4
141.12685	1.2
145.06488	1.0
145.10052	6.1
153.12715	2.2
163.11172	15.5
173.09702	2.3
181.12288	2.7
191.10593	1.4
209.11723	4.6
227.12709	2.9
283.15381	100.0
284.15741	2.7
313.27325	83.2
314.27582	2.5
521.38361	53.8
522.38599	3.3
643.59448	1.1
718.46667	7.9
719.44275	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15355	1.6
50.89598	1.4
52.55518	1.6
53.03935	1.7
54.49453	1.4
55.01861	2.8
55.05502	8.5
57.03438	8.2
57.07064	27.4
61.02925	1.8
63.32629	1.4
63.79985	1.5
67.05496	12.1
69.07069	8.2
69.37077	15.1
69.37486	3.1
71.08620	19.0
79.05475	17.8
81.07044	21.5
83.04971	2.1
83.08596	10.8
83.96728	1.6
85.02877	1.5
85.10172	10.8
89.05991	2.8
91.05465	6.1
93.07030	26.6
95.04946	3.6
95.08588	30.1
97.02878	3.1
97.06508	3.6
97.10143	2.7
98.20742	4.0
99.04445	3.1
105.07024	5.9
107.04943	5.6
107.08569	19.7
109.10134	10.1
117.06976	5.7
119.08535	7.6
121.06513	3.7
121.10125	10.2
121.64881	1.5
123.11734	2.2
125.05982	2.7
133.10092	2.4
135.08107	2.4
135.11667	35.3
137.13295	1.7
137.42366	1.5
145.10106	22.2
163.11148	47.7
173.09480	1.8
181.12253	9.1
182.14656	1.5
227.12735	59.5
257.24847	3.6
283.15347	95.8
284.15829	2.3
313.27301	97.1
314.27655	4.2
350.16663	1.5
469.37460	2.0
475.20895	1.7
521.38293	100.0
522.38367	6.6
535.23236	2.1
613.34314	1.7
622.27771	10.1
718.45898	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	718.472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91647	2.3
53.03938	2.6
55.01839	3.3
55.05501	23.2
57.03429	20.3
57.07066	5.7
61.02908	5.3
67.05493	33.8
69.03423	3.1
69.07054	29.9
69.50883	16.6
69.51295	8.6
71.04987	4.0
71.08611	4.5
79.05484	33.2
81.03406	46.2
81.07040	43.2
83.04950	15.0
83.08607	31.5
85.02878	20.8
86.09698	8.8
91.05467	29.8
92.89633	2.6
93.07030	26.1
94.79076	2.8
95.04945	16.9
95.08591	26.1
97.02894	4.9
97.06519	7.9
97.10146	10.3
105.07010	19.7
105.07618	3.1
107.04909	6.9
107.08579	14.9
109.06497	5.0
109.10137	8.5
111.08015	12.6
117.06939	4.1
119.08565	15.6
119.40579	2.6
121.10110	18.7
123.11691	4.3
124.99984	4.8
129.06987	10.8
131.08556	13.1
133.10112	11.3
135.11674	7.7
142.07738	2.9
145.10062	4.9
147.07986	3.3
147.11658	11.9
149.09593	6.1
157.10130	9.3
175.11183	13.5
184.07283	19.9
185.07616	2.8
186.07826	2.9
193.12192	37.2
211.13261	58.7
237.22182	4.7
267.15878	13.8
285.16916	70.5
311.25745	76.6
312.26202	3.7
393.00616	2.7
419.37775	3.1
503.37091	16.2
515.21295	2.7
521.38324	100.0
521.46240	5.1
522.38434	5.4
569.86011	2.6
718.46765	8.8
719.44067	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	719.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.7
53.03939	13.4
55.01865	22.1
55.05505	48.3
57.03207	1.6
57.03433	19.0
57.07055	3.1
59.04974	3.7
59.36839	1.4
61.02921	2.9
65.03922	7.9
67.05499	79.3
68.05811	2.4
69.03421	34.3
69.07062	35.7
70.07531	8.0
71.01350	2.6
71.04987	13.8
72.01192	1.5
73.02889	2.9
73.33690	1.7
76.54641	1.6
77.03903	1.7
77.53212	1.5
79.05483	76.4
80.05794	3.4
80.88824	1.4
81.03410	100.0
81.07048	81.2
81.07535	3.1
82.03759	2.1
82.07377	3.2
83.01327	6.2
83.04508	2.4
83.04972	32.4
83.08609	26.0
84.08932	2.1
85.02892	20.5
85.06516	6.0
91.05470	70.5
92.05788	2.1
93.07034	70.8
95.04955	32.1
95.08007	2.3
95.08599	44.0
96.08884	2.1
97.02316	2.7
97.02885	31.4
97.06529	17.9
97.10150	17.3
99.04440	12.5
99.08083	3.4
103.05413	2.1
105.04459	2.8
105.07020	63.9
106.07304	2.2
107.04945	24.6
107.08584	47.7
109.02873	23.6
109.06510	19.3
109.10141	26.1
111.04426	16.2
111.08073	10.8
115.05449	5.3
117.07007	27.7
119.04919	2.7
119.08574	45.7
120.08911	2.2
121.05716	2.2
121.06496	13.0
121.10139	19.2
123.08063	14.8
123.11678	5.6
125.05990	2.1
125.09628	14.6
127.03907	21.8
128.06195	6.7
129.05464	4.5
129.06982	16.5
131.04877	3.0
131.08559	33.8
133.06468	7.8
133.10124	34.1
135.04408	2.9
135.08061	11.9
135.11674	22.3
137.05916	2.5
137.09596	7.3
139.07533	2.4
139.60388	1.6
141.06979	6.0
142.07813	3.2
143.08566	12.7
145.06477	8.2
145.10115	39.8
147.04482	1.6
147.08012	9.0
147.11647	21.9
149.09604	15.5
149.13228	5.6
151.11180	3.7
153.09108	4.5
153.12727	7.1
155.08556	6.8
156.09160	1.9
157.06523	2.4
157.10118	12.9
159.08002	4.2
159.11674	16.0
161.09601	7.0
161.13220	5.3
163.03880	2.2
163.11151	27.6
165.09064	2.0
165.12729	3.9
167.08572	2.3
169.10155	8.3
171.08034	3.6
171.11678	7.9
172.12035	1.9
173.04443	18.9
173.09576	7.8
173.11816	2.4
173.13266	7.6
175.11154	5.6
177.12737	3.7
179.10722	1.8
179.14255	3.0
181.10109	2.7
181.12186	8.6
183.08018	2.3
183.11646	8.9
185.09605	4.2
185.13220	4.8
187.07539	2.2
187.11145	5.6
187.14777	3.1
189.09367	2.6
189.11209	10.1
189.12706	2.3
191.10611	7.0
193.10527	1.5
193.12227	10.2
194.07288	1.6
195.11710	2.6
197.09590	2.4
197.13249	5.4
199.11180	2.4
199.14807	2.2
205.15602	1.8
207.13605	2.1
209.11725	7.1
209.62798	2.3
211.13187	11.4
211.14990	2.5
213.12523	1.9
213.16341	2.0
215.10643	2.0
215.14392	2.7
219.13757	2.0
223.11142	2.9
223.13258	5.0
225.12807	2.3
227.12695	24.9
229.14301	3.4
229.19519	4.0
231.13918	2.3
231.17413	2.2
239.17845	5.9
241.10674	2.3
245.18968	2.0
247.20493	4.5
257.18951	11.3
267.15939	2.3
271.20538	1.8
273.18365	11.5
275.17145	3.9
275.20059	66.8
275.23041	4.1
276.20331	4.7
283.15402	25.7
291.19525	23.6
293.21039	6.0
305.21573	1.9
313.21689	2.9
329.21375	2.7
331.22757	2.4
347.22131	2.6
349.23770	20.2
353.15836	5.0
355.17462	2.2
355.22540	2.2
395.21112	1.9
409.18161	1.7
419.24161	4.3
419.29285	2.0
424.27701	3.5
427.19449	9.6
437.30661	2.2
447.28311	3.5
477.28479	2.6
483.31113	2.1
511.33582	1.9
521.32727	1.8
528.37347	2.8
529.35333	3.1
539.33380	12.2
553.71484	1.6
557.26776	2.8
557.34711	39.7
558.34991	2.8
575.35693	3.0
621.32239	4.4
701.38824	17.9
719.39966	36.7
720.40344	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	14.6
55.01867	34.9
55.05509	29.1
57.03419	9.9
65.03931	4.5
67.05497	58.8
69.03422	16.1
69.07060	32.6
69.73131	18.7
71.04968	8.9
79.05482	55.9
81.03404	60.3
81.07047	65.8
82.07390	5.0
83.04966	23.0
83.08607	14.2
84.24782	2.1
85.02901	9.8
85.06526	3.4
91.05466	55.1
92.05791	3.1
93.07034	52.4
94.07386	3.1
95.01318	8.7
95.04955	20.3
95.08589	34.2
97.02877	17.2
97.06516	59.4
97.07095	4.4
97.10172	7.4
98.20695	4.7
99.04446	7.6
105.07017	65.6
106.07359	4.7
107.04945	23.2
107.08586	27.8
109.02856	16.0
109.06532	9.8
109.10145	17.0
109.10772	2.9
111.04422	10.0
111.08056	8.7
115.05484	3.6
117.07018	22.1
119.08561	37.6
121.06493	8.5
121.10136	18.5
123.04400	3.3
123.08054	9.7
125.09621	7.3
127.03900	13.3
128.06161	4.4
129.05481	2.5
129.06976	11.3
131.08559	25.1
133.06482	6.1
133.10104	38.5
135.08060	6.3
135.11665	16.2
137.09570	5.6
139.07504	3.1
143.08533	11.2
145.06430	8.0
145.10115	26.4
147.08008	3.3
147.11676	16.0
149.09602	11.9
149.13239	6.3
151.11208	4.0
153.12712	11.5
155.08530	6.0
157.10100	6.3
159.11693	12.8
161.09673	3.7
161.13258	8.5
163.11153	17.0
171.11664	6.0
173.04402	5.3
173.09634	5.5
173.13258	7.0
175.11209	4.0
177.12708	3.8
179.14297	11.7
181.12178	7.0
183.11670	4.5
184.07315	7.9
189.12871	2.5
191.10651	6.2
195.13821	3.2
197.13281	3.1
200.22154	2.7
209.11673	5.2
219.17426	2.7
227.12758	13.5
247.20589	7.5
257.18997	11.9
265.14072	2.8
275.20020	100.0
276.20563	3.7
283.15363	7.6
293.21057	5.8
349.23743	28.5
353.15845	7.4
409.04251	2.7
427.19559	30.8
539.33868	10.4
557.34711	18.5
607.43646	4.3
701.38800	47.1
719.40704	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	719.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	7.9
53.70268	1.8
55.01848	5.0
55.05503	25.7
57.03436	9.9
57.07054	2.4
61.02923	14.3
64.04781	1.6
65.03917	3.1
67.05495	52.4
68.05814	2.0
69.03407	9.7
69.07049	18.2
71.04959	5.3
71.08603	2.5
73.02892	7.1
79.05477	48.0
80.05800	2.6
81.03411	17.1
81.07043	52.1
83.04967	10.0
83.08604	11.2
85.02879	10.8
85.06516	3.8
89.06012	4.3
89.53580	1.7
91.03928	6.5
91.05461	50.0
93.07029	54.9
95.04958	11.7
95.08593	31.5
97.02869	10.5
97.06522	5.8
97.10154	7.7
98.20700	3.0
99.04420	2.3
101.02396	2.3
103.05460	2.2
105.07003	46.6
106.07315	2.2
107.04929	8.1
107.08569	19.7
108.08891	2.2
109.02878	3.6
109.06490	5.8
109.10159	11.1
111.08042	4.1
115.00006	1.7
115.05418	2.2
117.06995	19.7
119.08573	34.6
121.06465	2.6
121.10139	9.0
123.08035	5.0
125.09579	3.9
127.03889	5.5
127.07478	1.8
128.06218	5.8
129.06967	22.5
131.08546	27.7
133.06496	2.7
133.08574	2.8
133.10101	19.5
135.08009	3.2
135.11655	8.0
141.06963	7.2
142.07771	1.9
143.08542	21.2
145.06480	2.6
145.10127	22.2
147.07994	2.4
147.11661	24.5
149.09576	3.0
149.13222	3.7
154.07753	2.3
155.08521	13.6
156.09299	2.6
157.10094	18.0
159.08015	2.3
159.11665	20.2
161.09633	2.5
161.13268	11.8
163.11177	2.9
165.06944	2.9
167.08510	7.1
168.09424	2.1
169.10106	18.6
171.08035	2.3
171.11682	25.5
173.04422	2.0
173.13158	14.3
175.11163	2.0
175.14754	6.2
181.10136	10.6
183.11700	14.7
185.09497	2.2
185.13235	11.8
187.11118	4.4
187.14810	6.4
189.12708	5.1
193.10138	3.2
195.11617	11.3
197.13274	11.0
199.14793	7.3
201.12785	1.9
207.11876	3.8
207.13779	8.2
209.13254	10.3
211.14780	7.0
213.16367	5.3
219.11560	3.5
221.13255	4.0
223.14867	6.3
225.16376	3.7
227.18082	2.4
227.20064	4.3
234.13931	1.8
235.14792	4.1
239.17818	2.5
241.19518	11.1
259.20499	17.6
265.19507	3.0
272.79251	1.7
275.20126	6.4
276.20331	3.5
279.16025	5.6
281.17374	21.7
282.17664	2.2
315.23080	3.6
321.21948	3.1
323.23737	3.6
333.24139	13.2
349.24646	2.3
406.12271	1.8
419.33298	2.9
429.31146	3.0
437.34332	9.8
445.96021	2.0
447.32574	12.8
465.33737	17.3
483.34592	8.2
485.33777	2.0
501.35406	2.6
511.37558	3.9
521.36713	9.8
529.39227	11.3
539.37311	100.0
540.37305	4.9
557.38318	66.7
558.38275	3.4
701.42438	14.0
719.42291	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	719.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.3
55.01864	3.4
55.05507	26.0
57.03426	12.3
57.03666	1.8
57.07060	3.1
61.02925	13.1
65.03920	2.5
67.05134	3.1
67.05495	62.1
69.03409	7.3
69.07056	21.1
71.04977	3.3
73.02899	4.9
78.66199	1.9
79.05480	60.3
81.03415	10.9
81.07044	56.3
83.04978	9.8
83.08602	8.4
85.02876	12.4
85.06512	3.3
91.03934	6.9
91.05471	55.1
93.07033	52.5
93.07585	1.3
95.04948	16.0
95.08593	37.5
97.02872	11.1
97.06523	7.1
97.10152	6.0
98.21457	4.5
100.32756	1.7
103.05464	2.6
105.07020	49.9
107.04942	5.7
107.08576	18.8
109.06492	5.6
109.10149	12.9
113.09662	2.0
113.12858	2.0
117.07002	18.8
119.08564	39.0
121.06483	3.0
121.10142	13.6
123.08049	7.1
123.11755	2.0
124.77917	1.6
125.09617	2.4
127.03899	4.2
128.06247	2.9
129.06989	21.5
131.08543	26.3
133.06474	3.7
133.10120	27.6
135.11679	10.4
140.76476	1.8
141.06967	6.9
142.07732	4.8
143.08542	23.5
145.06503	3.9
145.10109	30.3
147.08015	2.3
147.11658	29.6
147.68062	1.7
149.13223	4.7
153.06976	2.2
154.07645	1.8
155.08530	14.6
156.09259	1.9
157.10115	20.9
159.08054	2.6
159.11687	19.7
161.09628	3.7
161.13232	15.1
163.14767	3.6
167.08528	5.6
168.09303	2.0
169.10103	19.5
171.11681	28.7
173.13252	14.8
175.14839	5.6
177.12721	2.3
179.08458	2.9
179.14471	2.1
181.10126	10.7
183.11674	19.6
184.07359	2.8
185.13231	13.1
187.11111	3.8
187.14748	3.8
189.12727	4.6
193.10109	4.3
195.11685	11.7
195.13531	3.3
197.13200	13.0
199.14774	8.8
207.11676	5.5
207.13751	8.3
209.13268	8.2
211.14787	7.6
213.12634	2.0
213.16321	4.0
219.11661	2.2
221.13199	3.4
223.14760	7.7
225.16350	4.5
231.21085	4.0
235.14758	3.8
239.17877	3.7
241.19472	15.0
251.17950	3.1
259.12946	2.1
259.20560	21.7
279.15848	7.0
281.17407	25.4
293.18842	2.3
297.17023	2.2
297.22174	3.2
311.23450	1.9
315.23083	2.1
321.22037	2.8
323.23682	3.1
325.21576	2.4
333.24283	7.9
353.24615	2.2
419.32544	1.9
429.31546	5.0
437.33994	7.9
447.32523	18.0
465.33594	17.6
483.34464	10.7
503.35196	3.0
511.38315	4.4
521.36346	11.7
529.38666	9.6
539.37292	100.0
540.37543	4.1
557.38361	76.4
558.38452	2.8
701.42657	15.3
706.93335	2.2
719.43524	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	719.435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10670	1.6
53.03944	7.4
55.01868	3.3
55.05503	24.9
55.72972	1.8
57.03421	9.3
57.10983	1.9
59.16817	1.7
59.25013	1.8
61.02918	14.0
62.51877	1.9
65.03926	2.0
67.05492	52.4
68.20358	1.8
69.03421	5.9
69.07059	19.0
70.29327	8.9
71.04989	4.2
72.54448	1.6
73.02901	7.5
79.05482	54.2
80.94179	1.9
81.03403	10.7
81.07047	41.7
81.07529	2.3
83.04976	7.6
83.08613	11.1
85.02889	10.5
85.06552	2.3
91.03943	7.0
91.05463	63.2
93.07035	58.0
95.04961	14.1
95.08593	27.1
97.02888	9.9
97.06506	2.8
97.10159	6.0
105.07011	50.6
107.04918	3.9
107.08581	19.8
109.06490	5.1
109.10143	10.7
111.08118	2.6
115.05392	1.9
117.06995	17.8
118.48058	1.9
119.08564	39.3
121.10138	14.6
123.08065	5.0
123.11708	2.5
124.67395	2.0
127.03905	3.3
128.06192	3.6
129.06979	24.9
131.08530	25.4
133.10109	23.6
135.11682	8.0
137.09505	2.1
141.06973	4.4
142.07779	4.8
143.08560	20.4
144.17259	1.9
145.10101	28.4
147.08102	2.1
147.11656	29.3
149.13264	2.9
153.06969	4.1
155.08531	14.6
157.10094	18.2
159.11678	17.8
161.09636	3.3
161.13235	19.0
165.06955	2.8
167.08551	4.3
169.10106	18.5
171.11665	30.6
173.13275	18.9
175.14787	8.8
177.12688	2.4
179.08556	2.7
181.10121	12.3
182.10953	2.5
183.11713	17.7
185.09621	2.3
185.13280	14.0
187.14786	5.5
189.12723	5.3
193.10123	3.3
195.11696	8.6
197.13214	12.5
199.14861	7.1
207.11749	4.3
207.13789	9.4
209.13242	8.1
211.14827	6.9
213.16394	3.2
221.13165	3.2
223.14803	8.6
225.16318	4.2
235.14841	3.8
237.16301	3.4
241.19447	12.7
259.20584	23.4
279.15952	6.5
281.17389	31.0
282.18036	2.5
297.22089	2.1
313.22049	2.5
315.23114	4.4
321.22192	2.9
323.23688	2.9
325.21814	2.7
325.25287	2.2
333.24335	15.9
335.23654	4.3
337.24918	3.0
339.23248	3.5
429.31461	4.6
437.33917	11.0
439.46176	2.0
447.32407	14.7
465.33539	17.7
470.71069	1.9
483.34793	13.5
501.35175	2.1
503.34653	3.1
511.37827	4.1
521.36322	8.9
529.38275	8.7
539.37256	100.0
540.37518	9.4
541.48083	2.2
557.38287	64.4
558.38721	3.9
701.42657	13.4
719.44061	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	720.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.01859	10.6
55.05236	1.0
55.05500	19.5
56.05861	1.0
57.03428	14.2
57.07072	1.5
59.05000	5.4
61.02908	3.4
61.09842	0.7
65.03915	2.5
67.05492	31.9
68.05806	0.9
69.03427	5.4
69.07054	11.5
70.06593	0.9
71.01329	3.6
71.04976	7.7
71.71059	1.3
73.02908	1.6
77.03921	0.9
79.05479	42.5
80.05817	0.8
81.03401	36.7
81.07043	34.1
82.03762	1.4
82.07370	2.0
83.01332	8.7
83.04966	19.5
83.08607	15.9
84.08948	1.0
85.02888	12.6
85.06545	3.9
86.09702	1.2
87.04436	1.1
91.03928	1.3
91.04918	1.8
91.05463	29.2
92.05798	1.7
92.78886	0.8
93.07026	42.9
94.07320	1.4
95.04951	15.8
95.07999	1.3
95.08588	20.1
97.02872	11.6
97.06509	11.6
97.10125	4.5
98.06858	1.0
99.04431	5.1
99.08064	1.1
103.05376	1.8
105.04510	0.9
105.07010	17.6
106.07333	1.0
107.04936	23.0
107.08578	27.8
107.09299	0.9
108.08862	1.3
109.02854	2.4
109.06497	13.5
109.10130	7.0
111.04427	24.5
111.08044	5.9
111.11706	0.9
113.05966	2.0
115.05395	1.3
116.06271	0.9
117.06995	17.1
119.08559	20.3
120.08895	1.7
121.06499	9.4
121.10129	18.0
122.10432	1.2
123.04391	2.0
123.08048	14.5
125.05964	7.7
125.09611	5.4
127.03902	3.1
128.06165	1.1
129.05446	1.0
129.06990	6.0
130.07707	1.7
131.04910	2.2
131.08578	11.1
132.08966	0.8
133.06476	1.4
133.10115	7.8
135.08060	5.4
135.11673	23.1
137.05980	1.6
137.09572	3.7
139.07515	1.5
143.08554	3.3
145.06465	3.7
145.10106	30.6
146.10429	2.1
147.07983	6.0
147.11659	3.6
149.05986	1.2
149.09605	3.9
153.09082	1.0
153.12712	11.6
155.08502	4.3
156.54982	0.8
157.10086	1.7
159.09137	1.2
159.11743	1.0
161.09593	1.5
163.03841	1.7
163.07513	1.1
163.11154	47.9
164.11606	1.1
164.62590	1.1
165.09184	1.0
171.11687	1.0
173.04420	1.0
173.09602	10.8
173.11734	1.1
173.13159	1.1
175.11159	1.3
177.12740	1.3
181.12225	8.1
183.11581	0.9
184.07246	1.9
189.09166	1.2
191.10620	10.3
193.12257	1.5
195.13812	1.7
207.13832	1.1
209.09862	1.6
209.11694	13.4
211.13203	1.5
223.13246	15.5
223.15331	1.4
227.12737	15.6
239.17935	0.8
241.14297	24.8
247.13202	1.2
255.09355	0.9
265.14325	6.3
267.15869	3.8
275.19995	3.7
276.20303	2.9
281.17398	1.7
283.15356	94.6
284.15805	4.1
297.17029	2.4
299.14777	2.3
301.06662	1.1
315.17944	30.6
316.18179	0.9
349.23996	1.0
364.80402	0.9
381.20557	1.7
455.24207	2.6
459.27411	3.8
473.25241	21.9
491.26331	100.0
492.26529	5.5
505.27795	7.4
509.27374	2.3
523.28973	68.1
524.29486	4.7
540.34460	2.0
558.34680	2.5
720.39551	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28852	0.6
52.67137	0.6
53.03929	2.7
53.39696	0.6
55.01854	2.0
55.05507	7.2
57.03428	7.1
58.74579	0.6
65.03918	1.2
67.05496	20.0
69.03429	1.3
69.07066	4.1
69.57638	5.1
71.04971	1.5
73.06546	0.7
79.05482	29.3
81.03407	35.4
81.07045	18.3
82.07394	0.6
83.04967	6.9
83.08606	8.3
85.02893	1.5
85.06537	1.5
90.78751	0.5
91.05467	24.1
91.06043	1.5
93.07032	28.1
95.04955	16.9
95.08590	10.7
96.04221	0.7
97.02879	1.6
97.06522	3.0
97.10141	2.1
105.07017	20.0
107.04955	4.0
107.08569	6.2
109.06503	3.8
109.10152	2.3
111.04384	0.9
111.08044	2.9
115.05400	0.7
117.07025	3.4
119.07732	1.0
119.08564	14.1
121.06483	2.5
121.10136	3.5
123.08061	2.7
125.09557	0.7
128.06160	1.5
129.06987	8.9
131.08527	4.2
133.06477	1.8
133.10121	7.1
135.07991	1.2
135.11668	1.2
136.84654	0.7
137.09593	1.2
142.07741	0.9
143.08525	3.7
145.10103	5.4
147.08041	2.5
147.11665	15.8
149.09596	2.3
157.10110	4.6
159.11778	0.9
161.09619	1.2
161.13245	4.3
163.11191	1.0
165.12723	0.7
171.11668	9.2
175.11183	4.0
179.14359	0.9
189.12659	3.4
193.12216	8.6
207.13771	10.7
211.13254	0.7
249.14903	1.3
267.15872	34.2
268.16315	1.0
275.20135	0.7
281.17441	37.6
282.17670	1.1
421.25818	1.1
444.33301	0.7
455.27988	1.0
473.28952	100.0
474.29294	4.6
491.30145	1.5
515.30096	1.8
564.21478	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01860	2.7
55.05501	15.6
57.03423	14.5
57.07069	29.8
61.02912	4.3
65.87683	1.1
67.05494	22.4
69.03414	3.8
69.07059	10.2
69.48876	8.5
69.49281	2.0
71.04977	4.4
71.08241	1.8
71.08614	21.6
73.02871	1.2
79.05481	19.4
79.95863	1.1
81.03405	48.6
81.07044	28.7
83.04969	12.9
83.08599	20.0
85.02892	21.0
85.06509	1.9
85.10169	11.9
89.06042	1.7
91.03929	1.4
91.05470	23.8
93.07021	11.9
95.04958	17.4
95.08587	20.9
97.02861	3.5
97.06509	3.6
97.10160	5.6
102.96934	1.3
105.07005	15.8
107.04935	4.6
107.08575	5.5
109.06506	3.3
109.10145	9.1
111.04446	1.7
111.08096	6.9
113.05985	2.4
117.06999	2.1
119.08556	13.3
121.10133	7.3
123.08031	1.7
123.11700	3.3
129.06981	7.7
131.08560	8.8
133.06445	2.3
133.10094	7.9
135.11613	1.1
137.09607	1.6
137.13196	1.2
142.07741	2.6
145.10194	1.8
147.08025	1.0
147.11653	11.6
149.09610	5.2
157.10117	10.5
165.12698	1.7
175.11154	10.3
184.07265	3.2
193.12201	31.4
211.13266	57.4
239.23671	3.0
263.61856	1.0
267.15845	18.3
285.16916	69.4
313.27310	79.7
314.27527	1.8
505.32056	1.4
505.38840	13.5
523.39880	100.0
524.40021	3.7
754.52148	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78924	1.1
53.03926	3.2
55.01861	5.7
55.05503	25.6
57.03413	6.0
57.07055	2.9
61.02914	7.3
67.05492	30.2
68.00697	1.4
69.03425	9.0
69.07048	12.1
70.82098	1.1
70.82462	4.7
71.04982	4.0
73.02880	2.2
79.05479	28.3
81.03410	11.9
81.07043	30.7
83.04969	5.8
83.08595	13.1
85.02890	7.0
85.06522	1.7
86.09695	2.1
89.06033	1.7
91.03941	2.9
91.05460	23.0
93.07021	21.8
93.33018	1.1
95.04958	9.9
95.08591	15.4
97.02881	7.5
97.06523	4.4
97.10153	23.0
105.07014	21.3
107.04941	2.8
107.08571	18.7
109.02859	3.1
109.06509	4.6
109.10136	8.6
111.04407	2.6
115.05444	1.9
117.06995	15.4
119.08562	17.2
121.10170	6.1
123.08035	2.7
123.11703	2.4
124.99992	2.5
125.09600	20.6
126.65219	1.1
127.03883	2.2
128.06203	2.3
129.06976	11.1
130.07785	1.3
131.08546	20.4
133.10097	11.9
135.08034	5.4
135.11661	5.3
135.37389	1.3
137.09587	2.1
141.06970	3.8
142.07843	1.3
143.08527	14.8
145.06473	1.7
145.10101	15.2
147.08046	3.0
147.11655	10.7
149.09596	2.8
149.13278	2.6
153.09082	1.5
155.08531	6.3
157.10086	10.9
159.08031	1.2
159.11658	12.0
161.09641	1.7
161.13232	5.2
163.11162	4.4
165.07005	1.4
167.08636	1.9
169.10106	7.8
171.08109	2.2
171.11661	10.5
173.09642	2.1
173.11911	1.3
173.13234	7.8
175.11160	2.9
175.14815	2.4
181.10121	4.3
181.12289	1.5
183.11725	7.3
184.07335	11.9
185.09602	1.3
185.13185	8.1
187.14754	3.5
189.11264	6.7
189.12630	1.8
191.10576	1.6
195.11769	2.9
197.13235	5.3
199.14809	3.5
207.11627	1.9
209.13329	2.9
211.14851	3.6
213.16484	1.8
219.11923	1.3
221.13232	2.4
223.14877	2.4
227.12727	17.7
227.19914	2.0
237.16426	1.6
239.17917	1.3
241.19443	2.2
243.21217	1.5
245.13795	3.6
253.19553	1.4
257.18964	3.0
259.20615	3.5
267.15906	2.0
269.22556	1.5
275.19989	5.9
283.15317	4.6
285.21939	1.7
287.23630	1.6
291.19446	2.7
297.22070	11.3
313.21558	2.5
315.23096	8.9
333.24182	2.6
343.22714	1.4
403.29773	1.3
413.28027	1.6
421.30902	2.9
431.29404	4.7
439.31915	1.5
449.30222	7.5
467.31519	6.6
472.34915	1.4
485.32465	7.7
513.35529	3.3
523.34052	11.8
531.36566	3.2
541.35156	100.0
542.35229	4.6
559.36157	67.7
560.36279	3.0
583.92316	1.4
649.37915	1.4
685.38489	1.9
703.40283	6.8
721.40643	4.9
721.55975	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.8
55.01866	17.5
55.05506	40.9
56.44258	2.0
57.03432	18.5
61.02896	3.1
61.60762	2.0
65.03928	5.9
67.05497	84.9
68.05860	2.4
69.03418	36.0
69.06734	3.2
69.07064	32.1
70.06505	12.5
71.01342	2.9
71.04979	10.7
73.02895	4.1
79.05482	72.2
81.03408	100.0
81.07047	87.0
83.04517	2.4
83.04974	26.5
83.08611	30.4
85.02895	22.7
85.06540	4.8
87.04429	3.0
91.03949	2.3
91.05472	83.9
91.06042	4.2
92.05792	2.9
93.07030	60.6
95.04950	31.0
95.08597	48.1
97.02885	29.3
97.06518	25.6
97.10165	18.1
99.04459	8.8
99.08083	5.6
103.05456	5.3
105.06329	3.9
105.07022	70.7
106.02644	2.0
107.04947	25.8
107.08583	46.7
109.02840	17.0
109.06509	16.7
109.10147	24.1
110.10547	1.8
111.04433	14.3
111.08076	13.6
115.03918	2.7
115.05453	3.5
117.07015	25.1
119.08572	52.0
121.06499	12.3
121.10143	28.8
123.04402	3.7
123.08044	10.5
123.11700	8.6
125.06021	3.0
125.09644	11.1
127.03901	18.3
128.06210	4.8
129.05458	7.0
129.06982	21.2
130.07762	2.6
131.04837	2.1
131.08551	38.6
133.06490	6.4
133.10107	44.0
135.08055	10.1
135.11697	14.0
137.05943	2.1
137.09584	8.1
141.07002	5.8
142.07761	5.5
143.08537	15.0
145.06465	6.1
145.10115	30.2
147.08051	9.3
147.11681	36.9
149.09619	21.5
149.13246	4.0
151.11163	5.4
153.12709	3.5
155.08525	10.1
157.06444	3.2
157.10141	19.5
159.08055	6.4
159.11714	18.8
161.09612	6.6
161.13252	5.4
163.11177	15.1
165.09074	2.9
165.12764	6.8
167.08553	4.4
169.10089	10.0
171.11633	12.5
173.04480	14.3
173.09543	5.2
173.11841	3.0
173.13170	10.4
175.11162	11.5
177.12750	6.1
179.14346	2.1
181.10103	4.9
181.12213	2.7
183.11687	8.5
184.07231	3.7
185.09628	4.5
185.13255	7.3
187.11195	7.7
187.14738	4.1
189.11244	9.5
189.12625	2.2
191.10638	4.9
193.12247	33.8
193.13950	3.0
195.13782	2.5
197.09637	2.8
197.13304	6.1
199.11224	3.9
199.14798	3.7
200.84651	1.9
201.12750	2.1
207.11801	2.2
209.11549	3.5
209.13333	3.5
211.11256	3.7
211.13237	42.7
211.14996	2.9
213.16364	2.4
217.15807	2.5
227.12723	14.7
229.14284	7.6
229.19496	4.6
239.17926	4.9
241.19479	1.8
245.13580	2.0
247.20515	4.4
249.14949	3.5
257.19009	12.0
259.20511	2.6
267.15817	20.8
269.17450	3.1
273.18277	3.8
275.20035	78.7
277.21460	2.1
285.16876	18.4
293.21127	8.4
297.22269	2.9
299.19952	4.3
301.21521	2.3
313.21646	4.4
315.22946	2.0
331.22592	3.2
337.16705	2.3
347.22168	3.2
349.23724	38.8
355.17505	3.1
355.97168	2.5
383.22021	2.6
429.20990	7.0
431.28949	2.5
437.24710	2.2
449.30322	5.8
467.31573	4.1
485.32413	3.1
523.34131	5.4
531.37341	2.5
541.35138	48.6
559.36176	41.2
577.37042	2.8
607.88513	2.2
623.34052	3.2
685.39227	5.2
703.40497	23.4
721.41284	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	721.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.8
53.03938	11.7
55.01863	16.6
55.05503	43.5
56.05827	2.6
57.03429	15.5
57.22592	1.9
59.04985	2.3
61.02905	4.3
64.82180	1.9
65.03918	5.4
67.05494	82.3
68.05829	4.0
69.03423	19.4
69.07063	25.9
71.04990	13.0
71.70161	2.7
73.02882	2.1
75.39066	2.0
79.05479	91.3
80.05805	5.4
80.63205	2.2
81.03407	100.0
81.07044	72.7
82.03741	5.1
82.07377	4.7
83.04967	29.3
83.08613	25.3
84.08958	3.4
85.02898	25.5
85.06532	6.5
91.03912	2.5
91.05465	83.2
92.05800	5.3
93.07031	70.9
94.07365	7.3
95.01340	2.6
95.04388	4.0
95.04951	48.9
95.08589	42.0
96.08929	3.0
97.02879	23.1
97.06530	22.9
97.10142	13.4
99.04436	6.8
105.07013	64.4
106.07355	6.5
107.04932	25.7
107.08576	37.1
108.05289	2.4
108.08912	2.1
109.02845	14.4
109.06515	14.1
109.10136	24.3
111.04422	7.4
111.08085	13.8
115.05426	4.7
117.07006	24.4
119.08559	55.4
120.08914	5.0
121.06486	8.1
121.10127	21.3
123.04404	2.6
123.08056	10.2
123.11666	7.1
125.09633	10.2
127.03894	8.9
128.06190	4.9
129.05522	3.1
129.06981	24.5
129.07860	3.1
130.07327	2.9
131.08536	30.6
133.06480	6.2
133.10115	33.3
135.04356	2.0
135.08061	8.4
135.11664	12.9
137.05948	2.2
137.09583	4.9
141.07005	4.1
142.07765	3.1
143.08502	11.8
145.06468	5.9
145.10103	26.6
147.08034	7.4
147.11662	42.2
148.12080	5.1
149.09595	20.4
149.13254	5.2
151.11147	3.8
153.09081	2.4
153.12691	2.8
155.08522	5.3
157.10118	17.8
158.10371	2.2
159.08014	5.5
159.11687	12.5
161.09592	5.2
161.13199	10.3
163.03839	4.3
163.11093	13.2
165.09105	4.0
165.12747	5.5
167.08549	3.6
169.10088	9.2
171.10326	2.9
171.11674	17.0
172.12057	4.0
173.04431	8.6
173.09622	4.7
173.13251	6.9
175.11131	12.8
175.14822	3.2
176.11575	2.1
181.12198	4.4
183.11679	4.9
185.09587	4.2
185.13217	4.0
187.07509	2.6
187.11118	5.3
189.11223	6.5
189.12782	5.0
189.16336	3.6
191.10675	4.2
191.14268	2.1
193.10435	3.6
193.12216	26.0
194.12556	2.8
197.09543	2.3
197.13254	5.4
199.11201	2.3
205.12083	3.2
207.13766	7.7
208.14191	4.8
209.13353	3.0
211.13205	31.8
211.14861	2.8
213.12689	2.7
215.18022	2.4
227.12694	11.8
229.14290	3.5
239.17888	2.7
247.16870	2.7
247.20700	3.1
257.18973	11.1
267.15878	36.0
268.16223	14.2
275.20041	63.3
281.17407	25.3
282.17728	22.0
285.16833	11.3
293.21143	5.5
299.19980	2.3
301.07144	2.4
301.21497	2.4
313.21558	3.6
331.22601	3.3
349.23703	31.2
355.17871	2.7
355.22546	2.4
365.22018	2.0
429.21161	9.1
449.29999	2.9
459.34802	2.0
467.31326	3.7
473.29013	19.1
474.29306	62.3
485.57507	2.4
541.35114	35.7
542.35535	2.3
557.74969	2.4
559.36298	26.8
565.33606	2.9
612.53656	2.3
685.39148	3.4
703.40045	17.1
721.41034	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	721.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
55.01869	5.6
55.05508	18.6
57.03421	9.9
58.17233	2.7
65.03928	3.7
67.05490	68.7
69.07053	12.8
70.12312	6.2
70.12704	15.1
71.05000	3.9
71.88647	3.0
79.05483	69.8
81.03394	4.3
81.07042	60.0
83.04967	12.8
83.08617	4.6
91.05467	47.0
93.07033	66.9
95.04964	16.7
95.08597	37.2
97.06529	4.0
97.10149	4.7
98.20793	3.0
105.07010	37.0
107.04956	6.8
107.08581	19.4
109.06511	8.3
109.10130	9.7
117.06995	7.4
119.08545	26.9
121.10139	12.2
123.08034	4.5
129.06969	13.0
131.08571	9.1
133.10094	10.3
135.11687	8.3
143.08546	8.1
145.10121	9.4
147.11658	31.0
159.11742	3.7
161.13261	9.9
171.11652	19.6
173.13240	3.8
189.12735	9.4
207.13782	18.6
261.22156	6.3
281.17438	53.2
335.25729	57.3
541.38812	100.0
542.39246	5.8
577.37854	3.2
591.25775	3.7
623.27942	6.4
624.28253	10.8
721.36005	5.7
721.49603	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	722.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.01871	4.6
55.05503	12.3
56.19256	0.6
57.03432	8.6
59.04988	2.0
59.59829	0.6
59.66262	0.6
61.02885	0.7
61.36726	0.7
65.03935	0.9
67.05495	11.5
69.03413	1.6
69.07065	3.5
70.28146	2.6
71.01354	0.8
71.04979	2.9
79.05482	14.5
81.03406	38.5
81.07045	14.4
81.07447	0.5
83.01333	2.8
83.04971	6.4
83.08614	13.3
85.02886	2.6
85.06549	1.0
91.05466	14.7
93.07033	14.4
95.04956	14.6
95.08585	5.7
97.02890	1.7
97.06509	3.5
97.10155	6.0
105.07023	9.6
107.04952	7.8
107.08573	8.4
109.02899	1.0
109.06504	4.2
109.10140	3.1
111.04420	2.7
111.08044	3.9
115.05469	0.7
117.07010	5.3
119.04959	0.7
119.08572	9.1
121.06467	3.8
121.10137	6.4
123.04413	1.1
123.08039	5.7
125.09641	4.9
129.07007	5.3
131.04890	1.3
131.08536	4.6
133.06500	2.8
133.10124	2.5
135.08034	2.2
135.11659	4.8
137.05965	0.7
137.09628	1.7
141.06982	0.7
142.07751	1.1
143.08530	1.9
145.06459	2.4
145.10118	6.8
147.04340	0.9
147.08041	3.2
147.11684	3.1
149.06004	0.7
149.09630	2.5
153.12706	2.0
155.08569	1.0
157.06421	0.7
157.10100	5.0
159.08083	1.7
161.05983	3.0
161.09634	1.1
163.11172	11.2
165.12639	0.9
171.07999	1.2
172.66808	0.7
173.05983	1.0
173.09592	2.8
175.11185	4.5
181.12230	1.3
183.11644	0.8
185.13231	0.9
187.07576	0.9
187.11101	0.8
189.09151	0.9
189.11201	1.6
191.10634	1.6
193.10197	1.1
193.12193	9.4
195.07988	0.9
199.07585	0.9
205.12245	1.5
209.09879	0.7
209.11761	2.3
211.11292	1.1
211.13225	0.9
213.12796	1.1
227.12732	3.4
231.13817	1.7
243.13644	1.0
249.14890	1.1
265.14468	0.9
267.15869	25.9
271.13324	0.8
273.14841	2.3
283.15372	19.5
284.15759	0.8
289.14194	3.6
303.15723	1.0
337.21506	0.8
355.22638	1.9
365.21057	4.0
383.22153	19.1
401.23175	8.2
419.24228	2.7
421.23813	0.8
431.24365	1.5
439.24921	1.8
457.25806	30.6
458.26132	1.5
475.26880	100.0
476.27151	6.4
493.27902	9.8
507.30029	0.7
517.27966	1.5
541.27917	0.9
698.90521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.43
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44566	2.9
53.03936	11.3
55.01859	13.6
55.05506	41.5
55.89731	2.4
56.96553	8.0
57.03423	14.0
57.07068	4.5
59.05002	2.7
60.29609	3.0
61.02915	12.0
65.03921	4.0
67.05498	89.0
67.19598	2.8
69.03412	14.3
69.07063	32.1
70.55336	2.6
71.04981	13.6
73.02908	5.7
78.05215	2.7
79.05485	59.9
80.05805	2.6
81.03408	41.9
81.07041	68.1
83.04961	21.2
83.08610	22.1
83.24058	2.9
85.02876	14.8
85.06532	7.1
87.46042	2.4
91.03948	5.4
91.05467	75.1
93.07034	62.5
95.04951	21.5
95.08589	45.6
97.02879	12.7
97.06514	12.5
97.10141	14.0
98.20715	5.5
105.07017	58.8
106.07349	3.2
107.00938	3.2
107.04953	11.6
107.08582	35.6
108.08981	3.0
109.02869	3.4
109.06505	10.7
109.10148	31.0
111.04457	3.5
111.08082	9.5
115.05414	4.3
117.06996	29.2
119.08566	52.6
121.06503	5.7
121.10118	21.8
123.08076	7.2
123.11694	3.9
125.09605	9.9
126.72759	2.7
127.03912	6.7
128.06195	7.0
129.07007	28.6
131.08560	44.5
133.06424	3.6
133.10114	38.3
135.08012	5.5
135.11659	13.4
137.09573	5.9
141.06960	8.2
142.07881	4.5
143.08545	22.9
145.10120	26.9
147.08034	5.5
147.11696	23.5
149.09612	9.1
149.13277	5.8
153.09085	5.3
155.08513	17.7
157.10123	27.0
159.11642	24.4
161.05960	3.3
161.09583	4.5
161.13245	9.8
163.11166	8.1
163.14842	2.9
167.08548	9.6
169.10107	15.9
171.11679	25.7
173.04430	3.5
173.09758	3.0
173.11826	3.4
173.13254	13.0
175.11209	8.3
175.14847	5.4
177.12849	3.9
181.10114	8.3
181.11980	3.2
183.11691	12.4
184.07333	5.4
185.13264	11.6
187.11250	4.2
187.14767	4.2
189.11264	5.3
189.12756	5.0
193.10010	3.6
193.12277	10.1
195.11708	8.2
197.13246	14.7
201.12724	3.5
207.11737	6.2
207.13730	5.3
209.13229	7.8
211.13261	11.1
213.16351	5.8
223.14658	3.6
227.12709	7.1
229.14320	5.8
241.19478	8.1
259.20532	16.4
263.17926	3.1
265.19501	3.7
267.15903	10.7
275.20056	10.4
277.21689	6.0
281.10596	25.2
281.17511	4.9
285.16904	7.3
297.21994	4.7
299.11551	16.0
299.23697	3.6
301.21707	3.6
304.12274	4.8
315.23236	8.2
321.22226	3.4
333.24136	12.6
339.23453	3.7
349.23849	4.6
353.16101	36.4
353.66449	8.4
361.25339	3.7
423.32620	5.9
433.30945	17.6
451.32068	6.1
469.33194	9.5
499.33746	4.9
507.34399	6.0
525.35742	42.3
526.35931	5.8
531.14056	3.2
543.36755	100.0
544.36981	10.2
561.37750	29.6
705.41315	4.4
723.42303	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	723.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
55.01856	2.0
55.05502	12.2
57.07063	3.1
57.85577	1.5
65.03931	1.7
67.05492	40.6
69.07062	11.3
71.04975	2.2
71.08621	20.2
79.05480	42.6
81.03403	4.6
81.07044	43.1
83.04965	5.3
83.08605	7.1
91.05469	32.8
93.07027	48.1
95.04962	9.1
95.08591	26.9
97.06506	6.1
97.10165	3.0
99.08071	14.6
103.05450	1.7
105.07011	16.4
107.04960	6.6
107.08582	25.8
109.06509	2.1
109.10135	6.7
111.08057	2.2
112.99973	8.0
113.09602	3.6
117.07016	6.3
119.08562	12.7
121.10123	19.6
123.11719	2.5
129.06956	2.0
131.08560	8.1
133.10127	10.8
135.08101	1.4
135.11684	20.8
141.09138	1.8
143.08464	1.9
145.10083	7.0
147.07994	1.5
147.11661	4.4
149.13252	10.3
151.11160	8.3
157.10179	2.6
159.11676	4.8
161.13240	9.4
163.11172	3.7
163.14780	4.9
167.10651	1.6
169.02641	3.2
173.13219	2.6
177.12706	2.8
179.14294	52.0
189.12791	1.9
219.21159	1.6
235.16972	2.7
243.21115	6.1
259.20346	1.8
261.22119	4.6
277.21591	39.8
295.22742	4.3
317.24600	10.8
335.25647	2.7
345.99362	1.9
351.25198	18.5
365.38394	1.6
485.35632	2.1
611.46570	100.0
612.46692	5.0
709.54218	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
53.79586	0.3
55.01858	0.5
55.05497	0.9
56.29009	0.3
57.03430	6.2
61.02912	0.4
67.05471	0.4
69.03417	3.5
70.06565	0.8
70.13003	1.6
71.01347	0.3
71.04978	32.7
73.02885	0.4
75.04455	1.3
79.05498	0.6
81.03410	1.0
83.04970	1.9
85.02889	39.9
86.06062	1.6
86.09663	0.3
87.04454	12.3
88.45087	0.3
89.03896	3.0
93.06982	0.4
94.06559	0.8
95.04921	0.7
97.02879	7.9
97.14072	0.3
98.07202	0.5
99.04443	1.2
101.02338	0.5
107.04956	1.0
109.02874	0.9
110.06034	0.7
111.04417	1.1
117.03352	3.8
122.06004	3.2
123.04405	1.0
127.03876	0.7
129.05453	7.7
132.04439	1.8
134.09560	0.4
135.04396	9.5
136.07544	0.3
138.05498	2.2
140.07033	1.1
144.08014	0.5
145.02817	8.2
147.06499	1.1
148.07542	0.4
150.05482	5.2
150.09096	0.8
151.03882	4.7
152.07039	0.8
160.07547	0.5
162.05475	0.8
162.09119	4.0
162.26622	0.3
163.03873	98.5
164.04211	1.1
164.06976	0.4
168.06526	1.9
172.07568	0.6
177.07805	1.3
178.08635	1.8
181.04935	2.9
190.08571	3.2
196.09660	0.9
200.07016	0.6
206.08095	6.1
208.09653	1.1
218.08125	4.5
224.09190	2.1
226.10693	6.0
236.09138	10.5
254.10185	100.0
255.10521	1.7
265.06934	0.3
292.81424	0.3
307.08020	1.4
325.09122	18.1
400.15848	1.1
416.15216	1.1
508.93756	0.3
578.18579	25.7
579.18738	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97516	0.7
55.01855	1.9
55.05500	10.0
57.03424	10.0
58.51686	0.8
66.98471	0.8
67.05495	13.9
69.03416	2.3
69.07058	2.7
71.04978	2.8
71.15054	2.0
79.05485	15.1
81.03407	64.4
81.07046	14.7
83.04968	8.1
83.08605	19.6
85.02892	9.7
85.06532	1.2
90.42074	0.9
91.05463	18.6
92.20009	0.7
93.07033	11.0
95.04961	22.5
95.08578	6.5
97.02872	2.9
97.06519	2.6
97.10143	4.9
105.07019	15.7
107.04960	7.3
107.08585	5.7
109.06500	5.4
109.10156	2.3
111.04412	1.7
111.08065	8.5
113.05989	1.7
115.05434	1.8
117.06999	2.3
119.04868	1.0
119.08561	15.2
119.16944	0.9
121.06514	2.4
121.10132	6.3
123.08047	1.9
125.09612	3.7
125.96050	0.8
129.06987	9.1
131.08557	8.2
133.06470	3.5
133.10115	7.6
135.08037	0.9
137.09630	1.5
142.07806	2.6
142.39961	0.8
145.06464	3.1
147.08047	3.3
147.11668	9.5
149.09613	3.9
150.13081	0.9
155.08414	0.8
157.06471	1.1
157.10097	8.7
159.08083	1.1
163.11157	1.0
165.12712	2.9
171.07988	1.3
173.09674	1.2
175.11157	10.3
185.13107	0.9
188.21107	0.9
189.11143	1.5
193.12216	31.4
193.13983	1.5
194.12558	1.3
195.11722	1.3
197.13231	1.0
207.13826	0.9
211.13269	12.7
212.13644	0.9
223.13225	1.0
227.12833	1.9
229.14368	1.3
233.15393	0.8
234.78244	0.8
249.14856	2.0
255.13887	1.9
267.15875	100.0
268.16129	4.5
273.14755	2.6
283.15207	1.2
285.16898	16.1
339.23325	1.4
340.62164	1.0
349.21829	4.2
367.22623	12.1
385.23654	11.1
386.24088	1.0
403.24890	3.7
433.25815	15.0
441.26172	6.6
459.27371	68.2
460.27695	4.3
477.28442	40.3
478.28497	1.9
696.03284	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.1
57.03406	0.5
67.01836	0.3
68.99770	0.2
69.03413	1.3
70.06561	0.2
71.04980	1.1
75.04473	0.2
81.03378	0.2
81.07023	0.2
83.04951	0.3
85.02884	2.6
87.04440	0.6
88.91031	0.1
91.05457	0.3
93.07008	0.1
95.04902	0.1
95.08568	0.2
97.02866	0.7
99.04394	0.2
105.07011	0.1
109.02860	0.2
111.04394	0.2
115.03876	0.4
119.04916	1.1
121.02834	0.5
127.03815	0.2
129.05426	0.6
133.04967	0.2
137.05882	0.2
141.01785	0.3
145.02814	0.5
147.04384	0.2
147.06499	0.3
153.01788	3.1
159.02841	0.2
163.03862	0.5
171.02831	0.6
195.54996	0.1
203.07008	0.1
225.05367	0.3
229.04890	0.2
243.06450	0.2
271.05945	100.0
272.06317	1.9
283.05984	0.5
284.06882	0.1
313.06989	0.8
337.06717	0.1
354.33630	0.1
367.07883	0.2
403.10126	0.5
447.09100	3.4
468.26874	0.1
489.09473	0.1
544.58838	0.1
593.14868	7.1
594.14551	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	725.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
53.20840	0.4
55.01868	0.9
55.05499	2.0
57.03418	1.4
59.04987	0.7
61.02913	4.0
67.05499	4.5
69.03425	2.7
69.07047	1.1
71.04982	1.6
71.32104	0.4
73.02909	3.4
75.38505	0.3
79.05482	5.2
81.03410	5.4
81.07043	4.8
83.04976	1.5
83.08605	1.4
85.02894	4.5
85.06545	0.7
87.04446	0.5
91.03925	2.3
91.05475	5.0
93.07034	5.1
95.04959	2.9
95.08593	2.9
96.08979	0.4
97.02874	3.6
97.06535	1.1
97.10130	0.5
99.04460	0.5
99.08090	0.6
101.02375	1.8
103.05398	0.4
105.07019	4.0
107.04957	0.9
107.08572	2.5
109.02886	0.8
109.06496	0.9
109.10137	1.0
111.04439	0.6
111.08104	0.6
117.07039	0.6
119.08553	3.2
121.10143	1.7
123.08085	0.8
127.03937	1.4
129.05455	0.5
129.06969	1.8
131.04950	0.8
131.08543	1.8
133.06517	0.5
133.10106	2.0
135.04404	0.9
137.09758	0.5
143.08554	0.7
145.10068	0.8
147.11636	2.3
149.02295	0.7
149.09677	1.4
157.10121	1.3
161.05983	0.5
161.13266	0.5
163.11111	0.5
165.09169	0.6
171.11722	1.2
175.11174	1.0
193.12286	1.3
195.11768	0.4
203.05370	0.5
207.13715	0.5
213.14857	0.5
224.20839	0.4
225.14972	0.6
229.14406	0.7
243.08363	2.3
247.13089	1.2
267.16013	1.0
283.15213	3.2
339.17822	0.7
357.09705	0.6
369.09805	1.5
441.21246	0.4
465.20929	10.1
501.23026	10.1
563.32062	0.5
725.37085	100.0
726.37537	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	726.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
55.01863	10.1
55.05502	20.4
57.03427	23.2
59.04970	1.8
60.08139	2.5
61.02925	12.3
65.03947	3.6
67.05501	59.4
68.05850	1.7
69.03415	13.0
69.07063	22.4
69.61355	17.6
71.01313	1.8
71.04991	15.4
73.02914	6.2
79.05487	43.2
79.66486	1.7
81.03414	32.3
81.07048	67.9
82.03733	5.1
83.04974	12.0
83.08601	15.8
84.08944	2.0
85.02895	23.6
85.06528	4.9
86.09695	9.3
88.86170	1.7
91.03915	9.1
91.05475	36.7
92.05814	2.8
93.07034	56.1
95.04971	15.3
95.08598	26.0
96.05244	2.3
96.08926	1.9
97.02872	13.2
97.06532	19.2
97.10145	7.5
97.29016	1.8
98.20628	1.9
99.04460	3.5
99.08078	4.8
103.05450	2.6
105.07014	31.8
107.04965	10.2
107.07909	2.6
107.08584	30.6
109.02888	4.4
109.06493	8.4
109.10144	15.0
111.04450	3.9
111.08074	7.1
117.06999	14.8
119.04900	3.4
119.08574	23.7
121.06493	4.0
121.10130	16.8
122.09651	2.6
123.08051	3.8
123.11723	2.5
124.99981	3.9
125.09592	6.9
127.03896	5.4
129.05547	3.6
129.06982	6.5
131.04898	3.5
131.08537	16.0
132.08855	2.1
133.10106	22.8
135.04434	4.6
135.08029	6.0
135.11681	22.5
136.07547	3.9
136.34294	1.7
137.05945	6.6
137.09598	4.1
139.11096	2.6
142.07829	3.3
145.04984	4.8
145.06471	2.7
145.10086	16.3
147.04390	7.4
147.08011	3.6
147.11659	14.7
149.08607	1.9
149.09586	11.6
149.13243	16.8
151.11107	2.4
152.42145	2.1
155.08580	2.3
157.10106	6.4
159.11696	18.4
161.13245	5.2
163.03835	6.8
163.11128	9.1
166.08562	3.0
169.10088	2.9
171.11699	3.1
173.04398	3.1
173.13239	5.4
175.11119	4.1
177.12714	23.7
179.14255	8.1
184.07339	31.4
187.14838	2.6
189.11157	3.8
191.10510	3.8
193.12244	9.2
195.13809	6.0
204.06512	2.5
207.10300	1.9
211.13280	3.9
227.12694	5.7
229.14410	5.3
239.17949	4.1
251.16458	4.5
255.15891	38.6
257.18967	7.4
267.15860	19.0
268.16196	10.5
269.17459	100.0
275.20035	20.8
283.15356	2.9
284.15591	2.5
285.10107	2.1
285.16846	5.6
309.20773	2.5
339.99902	2.0
349.23743	65.6
367.24725	24.4
371.70078	2.4
413.21594	3.1
459.26898	2.4
460.27899	3.6
461.27966	8.5
477.28366	2.8
478.28751	2.6
493.28137	2.4
511.29031	10.0
622.33179	3.5
694.25494	7.5
703.77771	2.2
726.28308	18.7
727.22900	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	726.4768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
55.01871	2.2
55.05503	13.9
57.03181	2.3
57.03428	15.7
57.07056	3.4
61.02900	4.1
65.03922	2.6
67.05495	60.7
69.07058	19.3
69.16335	1.4
71.04987	2.4
71.08634	1.5
71.45716	3.4
73.02908	2.5
75.04842	1.3
79.05022	2.0
79.05481	39.9
81.03418	1.4
81.07045	70.0
83.04957	5.1
83.08603	11.0
85.02872	3.5
85.06521	2.6
91.05464	19.8
93.07030	56.0
95.04972	4.9
95.08595	32.4
97.02927	1.4
97.06527	6.9
97.10179	1.5
99.08082	2.4
105.07007	11.6
107.08576	31.2
109.06532	2.9
109.10142	9.4
111.08072	5.3
117.07001	8.3
119.08580	6.6
121.10126	24.9
123.11703	3.2
125.09541	1.9
131.08537	12.0
133.10110	9.9
135.11661	12.4
139.11179	1.9
145.10094	4.7
147.11670	6.2
149.13252	24.5
151.11180	1.8
159.11676	11.5
161.13200	2.8
163.14760	1.7
173.13191	1.5
177.12772	5.5
179.14316	1.8
184.07326	4.4
195.13780	8.5
261.22095	11.2
267.15765	2.1
269.17444	92.7
270.17813	4.1
317.24780	2.4
335.25757	57.6
336.25922	2.4
467.36783	1.8
470.20676	1.5
529.38831	100.0
530.39417	6.6
726.44781	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	727.35
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01854	0.6
55.05502	1.3
57.03433	1.9
59.04997	0.7
61.02913	4.5
67.05505	2.8
69.03420	3.2
69.07065	0.8
69.55244	1.1
69.55671	2.4
70.10388	0.4
71.04983	1.6
73.02921	3.1
79.05484	3.3
81.03410	5.7
81.07036	3.0
83.01321	0.4
83.04986	1.0
83.08617	1.6
85.02879	4.5
85.06525	0.8
87.04421	0.6
91.03944	2.6
91.05462	3.4
93.07043	3.0
95.04947	2.0
95.08575	2.0
97.02873	3.9
97.03460	0.5
97.06521	0.8
99.04465	0.7
101.02361	1.7
103.03951	0.7
105.06985	2.2
107.04934	1.1
107.08575	1.8
109.02892	0.9
109.06496	1.3
109.10134	0.6
111.08054	0.8
112.58167	0.4
117.06992	0.4
119.08572	1.8
121.06490	0.8
121.10116	2.9
123.08071	1.3
127.03878	1.8
129.07008	0.8
131.08524	1.8
133.06487	0.6
133.10135	1.5
135.11684	1.1
137.09525	0.4
145.10114	1.1
147.08060	0.7
147.11708	1.3
149.09625	1.2
155.08563	0.4
157.10101	1.0
163.03935	0.4
163.11198	1.6
173.09622	0.4
174.47383	0.3
175.11192	0.8
183.06395	0.5
185.04259	0.5
193.12331	1.0
194.38918	0.4
203.05331	0.5
225.14940	0.5
243.08388	2.2
249.10959	0.5
267.15945	0.9
283.15146	4.0
339.17911	0.7
441.21124	0.5
448.27811	1.0
467.18915	8.8
501.23047	8.8
565.30029	0.4
622.01715	0.4
683.36047	0.4
727.34985	100.0
728.35583	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	728.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30957	2.3
53.03941	6.3
55.01854	3.6
55.05501	21.9
57.03431	23.0
57.07058	5.5
57.70093	2.6
67.05140	3.7
67.05497	67.0
69.07052	20.1
69.82402	2.7
71.01348	4.7
71.05003	4.1
71.71674	3.7
71.75071	2.5
73.74921	2.8
79.05482	73.1
81.03402	7.7
81.07046	58.5
83.04990	13.7
83.08609	9.4
85.02914	2.8
85.06556	4.2
86.09695	3.3
91.05463	66.7
91.06030	4.0
93.07038	77.3
95.04939	11.9
95.08594	34.5
97.06515	12.3
97.10157	10.2
99.08063	6.2
105.07014	65.1
107.04926	3.9
107.08580	48.4
109.10146	16.5
111.08064	4.4
115.05442	2.8
117.07001	22.4
119.08565	59.0
121.10136	24.9
125.00018	3.0
129.05475	2.9
129.06995	8.3
131.08542	25.2
133.10117	42.9
135.11667	66.0
137.09593	3.5
143.08528	11.5
145.10100	27.0
147.11681	40.9
149.09590	3.5
149.13261	9.8
151.11201	5.5
157.10092	10.1
157.18005	2.7
159.11671	22.8
161.13255	26.6
163.11165	7.2
163.14806	5.0
171.11678	12.4
173.11911	2.8
173.13229	14.3
175.14806	16.4
181.12166	15.6
184.07292	14.7
185.13228	9.9
187.14789	6.5
189.16295	3.0
199.14870	5.2
211.14664	3.1
213.16341	3.2
231.21053	6.0
232.68277	2.5
241.19470	35.4
253.14316	12.6
255.15897	100.0
259.20547	90.4
260.20782	4.1
261.22092	6.5
297.21948	2.9
315.22946	3.4
333.24194	49.9
415.06085	2.8
421.30890	9.0
439.32095	6.6
457.33124	3.5
495.34619	5.2
513.35645	62.7
514.35742	2.8
531.36517	18.1
538.17010	3.2
758.40637	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
53.39820	0.6
55.01856	1.9
57.03423	1.2
61.02919	0.7
65.03926	7.1
67.05481	2.1
69.03426	4.6
69.88870	2.9
69.89277	1.0
71.04982	0.8
73.02911	1.2
78.04700	3.0
79.05480	6.1
81.03410	3.2
81.07032	1.8
85.02888	9.3
87.04441	1.0
91.05470	8.9
93.03397	1.3
93.07032	1.5
95.01315	1.2
95.04954	3.1
97.02878	3.2
97.06516	0.8
98.21436	1.0
102.04690	0.8
103.05447	5.2
105.07005	7.9
106.04198	1.6
107.04930	10.6
109.02856	1.1
109.06512	0.9
109.10154	0.7
110.03639	5.3
111.04439	8.5
115.05434	6.0
116.06217	0.8
117.03384	0.9
117.07005	2.5
118.04112	2.2
119.04147	1.0
119.04922	8.6
119.08552	2.5
121.02763	1.1
122.03625	1.1
123.04408	5.8
124.05217	3.2
125.05981	8.4
127.03897	2.5
128.06194	2.8
129.06989	5.3
131.04900	7.4
131.08545	0.9
132.05711	3.4
133.02846	3.2
133.06456	6.3
135.04420	1.1
136.05170	0.7
137.05963	12.4
141.06993	1.4
144.05659	1.4
145.05016	0.8
145.06438	2.8
146.03629	0.9
147.04379	14.8
147.08015	4.5
148.05052	0.9
149.05936	2.3
151.03850	2.7
151.07515	2.8
152.04659	2.3
153.05438	30.5
155.04874	1.4
156.05634	0.8
157.06471	1.8
159.08044	7.9
160.05144	2.2
161.05948	8.4
161.09525	0.7
163.03874	2.8
163.07529	1.8
164.04680	0.7
165.05493	1.3
165.06914	1.5
167.07014	100.0
168.07388	1.8
169.06462	2.1
171.04440	1.3
171.07950	1.8
172.05072	1.7
173.06003	0.8
175.07521	35.8
176.04735	1.2
176.07854	1.1
177.05432	2.5
177.06844	0.7
178.07762	1.7
179.07022	11.3
179.08473	1.3
180.07570	0.9
181.04913	0.9
183.06534	1.2
184.05179	1.8
185.05974	1.3
186.06717	2.5
187.07523	15.2
189.05429	4.3
189.06975	1.7
189.09074	1.1
190.06175	0.8
190.07748	3.0
191.06987	14.9
191.08563	3.5
192.04189	0.9
193.08572	6.5
193.10130	1.2
195.07921	0.9
198.06726	0.8
199.07518	13.2
199.40298	0.7
201.09120	4.4
202.07727	3.8
203.06903	1.2
203.08528	5.0
204.09259	0.7
205.06448	2.6
205.10118	1.2
206.07310	2.0
207.06339	1.1
207.08032	2.5
208.08847	1.0
209.07945	1.0
215.06888	1.7
215.08572	2.7
216.07790	2.4
217.06506	1.5
217.08447	1.0
218.07271	5.6
219.08064	8.6
220.08742	3.6
221.05833	1.0
221.09534	4.1
223.07462	1.1
229.06474	1.2
229.08556	2.3
230.07135	1.0
231.08000	6.3
232.08804	3.3
232.34280	0.6
233.05937	2.2
233.09576	5.6
234.06627	3.4
235.07524	6.6
236.08380	3.2
237.09035	2.4
239.07149	0.8
242.07040	0.8
243.08044	1.2
245.06012	1.8
245.09674	0.9
246.06845	3.1
247.07462	6.1
248.08240	7.4
249.09052	7.8
250.09798	1.1
251.07082	1.8
251.10655	6.2
256.11084	0.7
257.05826	0.7
258.06677	1.7
259.07529	3.3
260.08282	2.9
261.05481	3.8
261.09027	4.7
262.06241	1.3
262.09814	2.2
263.06848	3.0
263.10730	4.1
264.07773	4.5
264.10733	0.6
265.08640	8.8
265.12030	1.2
266.09222	1.1
267.10229	0.9
273.05560	1.4
273.09100	2.2
274.06213	1.8
275.06961	4.0
275.10199	0.6
276.07785	12.6
277.08530	7.6
278.05930	1.2
278.09274	3.9
279.10083	5.0
280.07269	1.1
280.10822	1.2
281.08313	1.5
281.11652	3.8
287.06961	1.0
288.07758	2.7
289.08517	5.8
290.06366	0.6
290.09274	3.4
290.12274	0.7
291.06570	1.8
291.10095	5.5
292.07288	1.1
292.10632	1.0
293.08026	6.6
293.11661	2.6
294.08832	1.5
295.09506	1.0
296.10370	0.7
301.08698	1.1
303.09979	0.8
304.07269	3.4
305.08029	5.3
305.11444	1.5
306.08807	3.4
307.09567	14.3
308.10339	8.0
309.07831	1.2
309.11136	5.2
311.12665	4.9
319.09586	21.3
320.10330	2.7
321.07544	2.0
321.11111	10.4
322.11728	1.6
323.09140	1.3
323.12680	8.4
324.09946	0.8
325.14261	0.9
326.11435	0.9
336.09802	1.7
336.13315	0.8
337.10654	1.8
337.14365	1.2
338.11557	1.5
339.12231	54.4
340.12665	2.7
341.13748	11.9
351.12219	59.9
352.12814	3.3
353.13797	11.7
355.15271	0.9
369.13318	5.7
499.17371	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54133	0.4
53.03934	1.2
55.01852	1.7
57.03423	1.2
61.02903	1.4
64.96716	0.4
65.03932	7.0
67.05479	1.4
69.03424	4.9
69.89619	3.2
70.06579	0.6
71.04967	1.0
73.02888	0.6
77.03922	0.7
78.04689	1.9
79.05491	6.0
81.03407	1.8
81.07037	1.2
82.04181	0.7
83.01353	0.5
83.04981	0.5
85.02898	10.1
85.06525	0.5
87.04459	0.8
89.03931	0.8
91.04924	0.6
91.05471	10.5
93.03394	1.4
93.07029	1.0
94.04175	0.8
95.01319	0.7
95.04980	3.3
95.08543	0.6
97.02885	4.1
98.20751	0.5
99.04407	0.8
103.05460	4.1
104.06265	0.6
105.03368	1.1
105.07030	7.6
106.04153	1.2
107.04941	9.7
109.02843	1.2
109.06482	0.5
110.03655	5.2
111.04435	7.7
115.05427	4.5
116.06226	0.9
117.03372	0.8
117.07005	2.5
118.04128	1.8
119.04941	8.0
119.08615	2.6
121.02826	1.0
121.06505	1.3
122.03639	1.3
123.04411	6.2
124.05205	2.9
125.05989	8.5
127.03884	1.5
128.06183	2.8
129.05449	0.5
129.07004	5.2
130.04126	0.8
131.04913	6.2
131.08565	0.9
132.05676	3.2
133.02831	2.8
133.06471	6.5
134.03656	0.6
135.04425	0.9
136.05156	1.9
137.05959	9.9
138.03125	0.7
138.90263	0.5
141.06987	2.0
143.04887	1.0
144.05692	1.8
145.04944	0.6
145.06487	3.2
146.03604	0.9
147.04391	10.2
147.08046	4.6
148.05098	0.9
149.05966	1.7
151.03917	2.4
151.07527	2.5
152.04669	2.3
153.05449	28.2
155.04919	0.9
155.07071	0.5
156.05685	1.9
157.06459	0.9
159.08032	7.2
160.05156	2.2
160.08226	0.5
161.05965	10.0
161.09578	0.5
162.06697	0.8
163.03889	3.7
163.07509	1.8
164.04601	0.7
165.05437	1.9
165.06981	1.4
167.07022	100.0
168.05684	0.9
168.07368	0.7
169.06468	1.7
171.04456	1.0
171.08052	1.8
172.05154	1.5
173.05949	1.6
173.09612	0.6
175.07526	32.8
176.04616	1.1
176.07805	0.9
177.05446	1.8
177.06967	0.8
177.08961	0.7
178.07756	1.2
179.07031	10.5
179.08528	1.3
181.04987	1.0
181.06456	0.8
183.04608	0.5
183.06407	0.9
184.05202	1.9
185.05943	1.0
186.06746	1.9
187.07521	15.8
188.07954	0.5
189.05420	4.6
189.07005	2.2
189.09032	1.0
190.07756	3.6
191.07004	14.1
191.08554	2.9
193.06633	1.0
193.08559	6.2
193.10164	1.1
194.07214	0.8
195.08098	0.8
199.07529	11.5
201.05391	0.7
201.09114	3.9
202.07765	4.4
203.06999	0.7
203.08566	5.2
205.06551	2.2
205.10138	0.7
206.07246	2.9
207.06433	1.2
207.08060	2.0
208.08810	0.7
209.07930	0.7
209.09753	0.6
215.06946	1.8
215.08794	2.8
216.07721	2.9
217.06464	1.2
217.08420	0.6
218.07288	4.8
219.08034	8.8
220.08751	3.9
221.05931	1.9
221.09517	2.6
222.06731	1.4
223.07545	1.4
229.06526	0.8
229.08562	2.5
230.07242	1.3
231.08022	5.9
232.08788	3.6
233.06000	3.4
233.09593	5.4
234.06787	3.0
235.07487	5.8
236.08270	3.6
237.09108	2.5
239.06998	1.0
241.08521	0.8
243.08012	1.7
244.08612	0.6
245.05963	1.4
245.09589	1.2
246.06746	2.7
247.07535	6.5
248.08267	4.9
249.05379	0.9
249.09097	6.4
249.11435	0.8
250.06314	1.3
250.09839	2.2
251.07014	1.6
251.10638	5.7
253.08612	1.2
257.05957	0.6
258.06769	1.7
259.07437	4.2
260.08267	3.0
261.05511	4.1
261.09052	5.5
262.06177	1.5
262.09744	1.3
263.07077	3.5
263.10522	3.2
264.07791	5.3
265.08569	10.2
266.09290	1.4
267.10220	0.6
270.38690	0.5
271.07507	0.5
273.05539	0.8
273.09103	1.9
274.06195	2.5
274.09366	0.6
275.06992	3.3
275.10352	0.8
276.07816	11.4
276.10831	0.4
277.08566	8.4
278.06119	0.8
278.09280	4.6
279.06757	0.9
279.10098	5.2
280.07336	1.2
280.10867	0.9
281.08112	2.3
281.11743	3.9
287.07025	1.4
288.07858	2.3
289.08542	6.0
290.06534	0.6
290.09320	3.5
291.06509	1.7
291.10120	6.4
292.07217	1.7
292.10812	1.8
293.08069	7.2
293.11682	2.4
294.08813	1.9
295.09546	1.3
301.08566	1.3
303.06500	0.6
303.10062	0.7
304.07242	3.8
305.08047	3.2
305.11694	1.2
306.08829	2.5
307.09619	14.9
308.10370	7.5
309.11139	5.0
310.12030	1.1
311.09305	0.8
311.12607	4.1
318.08908	0.7
319.09601	20.7
319.13327	1.0
320.10272	4.1
321.07559	1.4
321.11142	11.5
322.12015	1.2
323.09152	1.1
323.12695	8.3
324.13342	0.7
325.10577	0.7
325.14346	1.9
326.11560	0.7
336.09866	1.5
336.13510	1.5
337.10693	2.1
337.14334	1.1
338.11356	1.2
339.12238	53.4
340.12335	1.0
341.13843	10.1
351.12238	60.3
352.12692	3.1
353.13809	10.1
355.15524	1.2
368.23477	0.6
369.13272	6.2
484.13437	0.6
498.82230	0.5
499.17966	1.1
713.45282	0.5
729.27368	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46173	0.3
53.03928	0.7
55.01855	0.5
55.05489	1.4
56.29290	0.3
57.03430	1.9
59.04983	1.0
61.02915	4.3
64.30587	0.4
67.05499	2.2
68.83822	0.3
69.03411	3.1
69.07050	0.8
69.58071	0.3
69.97709	0.3
71.01318	0.4
71.04981	2.0
73.02910	2.9
79.05480	2.9
83.04961	1.0
83.08603	1.3
85.02891	6.0
85.06535	0.6
87.04449	0.7
91.03935	3.0
91.05467	3.7
91.51048	0.3
93.07031	2.5
95.04964	2.4
95.08593	1.4
97.02871	4.1
97.06508	0.7
98.49129	0.3
99.04464	0.9
101.02395	1.9
103.03889	0.5
105.07006	2.9
107.04961	0.6
107.08582	1.7
109.02864	0.7
109.06538	0.4
109.10152	0.4
111.04440	0.4
111.08051	0.9
117.07033	0.5
119.08556	2.2
121.10101	1.9
123.08067	0.8
127.03905	1.5
129.07001	1.1
130.85901	0.3
131.04955	0.4
131.08575	1.7
133.10089	2.1
135.04387	0.5
137.05988	0.4
137.09604	0.3
145.10165	0.6
147.04401	0.8
147.11674	1.5
149.09561	2.3
155.54819	0.4
157.10124	1.6
163.03906	0.6
165.12709	0.7
175.11195	1.4
185.04234	0.6
193.12251	2.3
203.05197	0.5
204.80431	0.4
205.06334	0.4
211.13368	1.1
225.14970	0.4
243.08356	2.4
251.12567	0.9
267.15939	1.1
269.12250	0.4
283.15085	4.7
307.15070	0.4
339.17789	0.8
398.52209	0.4
469.20386	10.5
501.15723	0.7
501.22974	11.2
562.75250	0.4
567.31549	0.8
729.36536	100.0
730.36993	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	730.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.2
56.05030	0.8
58.06620	0.4
59.04986	0.5
60.08155	7.1
67.05489	0.3
71.07362	3.3
72.70885	0.1
78.72992	0.1
79.05466	0.2
81.07024	0.4
83.04963	0.2
86.09693	32.2
87.10052	0.2
91.05464	0.2
93.07029	0.2
95.08572	0.2
98.21457	0.3
98.98444	3.4
104.10728	2.1
105.07011	0.2
115.11115	0.2
118.15868	0.1
119.76026	0.1
124.99985	21.5
141.36563	0.1
143.01007	0.3
146.94447	0.1
166.02644	0.2
184.07315	100.0
185.07660	0.6
229.83604	0.2
287.73593	0.2
341.24475	0.1
401.45090	0.2
466.21622	0.2
507.50394	0.2
515.14410	0.1
629.20941	0.2
730.46490	2.8
731.45410	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.3
56.05017	0.5
57.07056	0.3
58.06601	0.4
59.07366	0.2
60.08152	5.9
67.05493	0.3
69.07024	0.2
71.07361	3.2
71.71296	0.3
79.05497	0.2
81.07045	0.5
83.08617	0.2
86.09690	29.9
87.10000	0.3
89.06011	0.6
90.87671	0.2
91.41919	0.2
93.07030	0.4
95.08585	0.3
98.98443	2.9
104.10720	2.2
107.08556	0.2
119.08588	0.2
120.14130	0.2
124.99982	20.2
133.08536	0.3
134.05754	0.2
143.01033	0.3
168.87386	0.2
184.07310	100.0
185.07721	1.0
304.29285	0.2
391.62946	0.2
422.41632	0.2
468.22919	0.4
487.68854	0.2
732.48096	3.4
733.47430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.9
55.01864	0.5
55.05498	0.9
56.19892	0.3
57.03439	2.3
67.05490	0.9
69.03415	3.2
69.07053	0.6
70.99730	1.0
71.00060	0.4
71.01349	0.4
71.04618	0.7
71.04983	11.4
72.08130	0.5
73.02882	0.3
75.04467	0.5
79.05476	1.8
81.03399	1.7
81.07049	0.6
83.04966	2.0
85.02895	13.5
85.06538	0.3
87.04433	0.5
89.03895	4.5
91.05470	1.9
93.06998	0.9
95.04935	1.4
95.08583	0.8
97.02882	4.4
97.06524	1.0
99.04431	0.9
103.05453	0.6
105.07009	1.1
107.04966	1.8
107.08594	0.7
109.02840	0.5
109.06459	0.5
111.04421	1.2
113.05989	0.5
117.03375	5.3
117.07010	0.6
119.04936	0.8
121.06479	0.9
123.04407	0.6
125.06004	2.1
127.03907	1.1
128.06139	0.3
129.01753	0.3
129.05458	2.9
129.06979	0.8
129.98178	0.4
131.04871	0.7
131.08583	0.6
133.06464	1.6
135.04408	12.1
135.08012	0.9
137.05988	1.8
142.07753	0.6
143.08513	0.4
144.05746	0.4
145.02826	10.9
145.06476	0.5
147.04396	0.9
147.08041	0.4
149.05981	0.7
151.03859	1.0
151.07576	0.9
152.04648	0.6
153.05450	4.7
157.10149	0.7
159.08029	0.4
161.05913	0.6
161.09573	0.4
163.03883	100.0
164.04213	1.1
165.05470	1.2
167.07019	6.1
167.08386	0.7
173.05965	0.5
173.09576	0.7
175.03746	0.4
175.07533	0.9
177.05493	2.6
179.07016	0.5
179.10663	0.7
181.04935	2.1
183.06529	6.4
185.09563	0.5
186.05452	0.5
187.07523	1.1
187.11096	0.8
188.08305	0.5
189.09186	0.7
191.07033	0.8
195.06491	0.7
199.07408	0.6
201.05453	1.0
201.09056	1.0
203.07030	0.6
203.10544	0.7
205.08632	0.5
213.09010	0.5
215.07021	0.7
215.10641	0.9
216.07794	1.1
217.12180	1.9
219.10188	2.9
221.74689	0.4
225.11160	0.7
230.09358	1.3
231.10226	0.4
233.11636	3.0
237.11082	0.5
245.11708	9.6
247.13254	1.9
257.11627	0.4
263.12787	5.3
273.11255	0.4
275.12799	0.5
287.12784	1.4
305.13831	1.2
307.08319	1.0
309.09988	0.5
325.09143	11.1
373.16495	0.8
391.17484	1.8
409.18597	0.5
618.28125	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12103	0.3
53.03930	0.6
55.01847	0.4
55.05502	0.8
57.03423	2.6
58.06607	0.3
59.69908	0.3
60.08164	2.1
61.66430	0.3
65.03921	0.7
67.05488	1.5
69.03410	3.2
69.07052	1.3
70.37663	1.3
71.01331	0.6
71.04979	11.4
71.07343	0.9
73.02910	0.6
73.54922	0.3
79.05473	1.9
79.36545	0.3
79.74443	0.3
81.03404	1.8
81.07032	1.3
83.04975	2.3
85.02895	14.5
85.06548	0.4
86.09685	3.7
87.10004	0.4
89.03902	4.4
91.05466	2.8
93.07024	1.1
93.82024	0.3
95.04960	2.2
95.08575	1.0
97.02881	4.9
97.06516	1.1
98.98449	0.5
99.04430	0.8
103.05460	0.5
104.10728	13.0
105.07017	1.8
105.11062	1.5
107.04936	2.2
107.08601	1.0
109.02878	1.0
109.06510	0.7
109.10197	0.4
111.04433	1.9
113.05978	0.6
115.05465	0.6
117.03364	4.7
117.07041	0.5
119.04924	3.7
119.08556	0.8
121.02868	0.8
121.06499	0.9
121.10109	0.5
123.04430	0.5
124.99970	2.9
125.05961	1.3
127.03893	1.3
128.06273	0.3
129.05453	3.0
129.06966	0.9
130.23193	0.3
131.04889	0.6
131.08542	0.7
133.06451	0.7
133.10179	0.4
135.04401	12.5
135.08058	0.7
137.05946	1.3
141.06987	0.4
142.07726	0.4
144.05623	0.5
145.02829	9.8
145.06442	0.4
147.04391	13.8
147.07939	0.5
149.05881	0.8
149.09549	0.4
151.03889	1.3
151.07513	0.5
152.04645	0.4
153.05446	3.2
153.06612	0.5
157.06552	0.4
157.10152	0.6
159.08051	0.7
159.11638	0.4
161.05980	0.7
163.03880	100.0
164.04187	1.0
164.07106	0.3
165.05476	1.2
167.07021	5.5
168.06564	0.5
169.10118	0.4
172.08765	0.5
173.05984	0.5
173.09616	0.7
174.06645	0.5
175.07568	0.8
175.11154	0.5
177.05443	1.3
181.04971	3.1
181.08565	0.3
183.06511	6.8
184.07303	3.1
185.09628	0.5
186.06818	0.4
187.07530	0.8
187.11105	0.6
188.08208	0.7
189.09105	1.1
189.12756	0.4
201.05473	1.1
201.09099	1.5
202.09819	0.6
203.06979	0.6
203.10593	0.9
205.08574	0.4
212.16408	0.4
213.09113	0.4
215.07095	0.6
215.10626	1.5
216.07774	1.4
217.08458	0.3
217.12221	1.5
219.10159	2.1
225.11203	0.6
227.10574	0.8
230.09384	1.3
230.17419	0.5
231.10095	0.5
233.11743	2.4
237.11200	0.4
245.11694	10.0
247.13202	1.7
257.11826	0.5
263.12714	4.6
269.11743	0.4
275.12668	0.4
287.12775	1.8
295.11115	0.7
305.13858	1.5
307.08130	0.9
309.09427	0.4
325.09137	9.4
329.13889	0.6
373.16431	0.9
391.17410	2.2
409.18372	0.7
438.29718	1.5
439.29999	1.0
513.06677	0.4
600.35071	1.2
601.35211	2.2
603.20166	0.6
715.25012	0.4
733.38477	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01849	0.8
55.05494	1.3
57.03413	1.4
60.58277	0.6
65.54497	0.8
67.05482	2.1
69.03419	5.1
69.07059	1.0
70.06543	0.6
70.77036	2.2
71.04977	5.4
73.94330	0.6
79.05475	4.6
81.03411	3.7
81.07045	2.2
83.04961	1.6
85.02895	10.3
85.06564	1.1
89.03896	3.2
91.05464	2.9
93.07040	4.5
94.07339	0.8
95.04946	2.2
95.08557	1.0
97.02891	9.6
97.06519	0.9
98.21439	0.8
99.04446	0.8
103.05455	2.0
105.03387	0.9
105.07006	2.6
105.45136	0.6
107.04933	2.2
107.08576	2.2
109.02856	1.9
109.06464	0.7
111.04457	0.9
113.06001	0.9
115.05467	0.8
117.03352	4.4
117.06964	1.2
119.08591	1.1
121.06493	1.1
121.10134	6.1
122.10448	1.2
123.04420	0.9
123.08050	2.3
125.05920	0.7
127.03927	1.6
128.06183	0.8
129.05458	1.2
129.06987	1.8
131.04872	5.2
131.08601	1.5
132.05254	1.1
133.06483	25.3
133.07495	1.1
135.04396	11.2
135.08038	1.0
137.05966	2.4
140.04689	0.8
143.08501	1.8
145.02834	11.9
145.06485	2.1
145.10069	0.9
147.04387	2.3
147.08000	1.4
147.11655	0.9
149.09599	2.3
151.03879	1.2
153.05457	1.4
153.06888	0.7
155.08473	1.5
157.10089	2.0
159.08018	2.4
161.05974	2.1
163.03886	100.0
163.07542	3.0
164.04303	1.2
165.05426	0.7
167.07047	1.4
167.08545	1.4
167.10684	1.8
169.06409	0.8
171.07976	0.8
173.05887	2.0
173.09583	6.0
175.07562	2.3
175.11093	0.9
177.05489	3.2
177.06825	0.6
179.07054	2.8
181.04938	15.9
181.06306	0.7
182.05312	5.5
183.08060	1.1
185.09608	2.1
187.07520	6.9
189.09094	1.9
191.06981	2.6
191.10637	1.3
193.05003	0.9
193.08626	1.1
195.08081	0.7
199.11166	1.1
201.09052	6.0
202.09862	1.0
203.10696	1.9
207.06555	1.2
209.41707	0.6
213.09058	2.5
215.10591	1.6
217.08578	0.8
217.12221	1.8
219.10144	24.0
221.08160	1.6
221.11664	1.9
227.10620	2.6
230.09302	0.9
235.13197	1.0
244.09811	1.3
245.11771	3.0
247.13344	3.6
263.12756	72.6
264.13000	1.5
307.08057	1.2
311.14786	1.6
325.09137	23.6
425.17923	0.8
587.20593	1.0
594.81281	0.7
733.35583	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.6
53.03946	10.0
55.01869	12.4
55.05504	23.9
57.03430	27.1
61.02920	3.1
65.03922	6.8
67.05496	93.3
69.03421	18.4
69.03748	2.9
69.07065	17.4
69.21378	1.7
71.04984	7.5
71.71554	3.1
73.06516	1.8
79.05485	64.0
81.03412	34.7
81.07047	54.3
81.26706	1.7
83.04974	15.0
83.08611	7.5
85.02892	12.1
85.06531	15.7
91.05472	67.5
91.06045	3.4
93.07037	59.8
95.01291	2.3
95.04958	100.0
95.08594	32.8
97.02900	9.6
97.06531	11.4
97.10179	6.2
99.04446	2.4
103.05424	3.1
105.07021	53.6
106.81760	2.0
107.04948	24.3
107.08589	23.7
109.02853	6.6
109.06503	60.5
109.10155	8.5
109.86738	1.7
111.04421	2.5
111.08077	5.1
113.05992	29.7
115.05445	7.2
117.07006	24.9
119.04935	2.2
119.08555	26.3
121.06466	12.7
121.10122	10.6
123.04414	3.3
123.08056	10.9
123.11691	2.5
125.09617	3.3
127.03901	6.9
128.06192	9.3
128.10062	1.9
129.05475	2.6
129.06982	23.3
131.04868	2.0
131.08545	32.0
133.06517	9.2
133.10117	15.8
135.08035	42.1
135.11671	8.9
137.05960	2.7
137.09610	2.5
139.07521	1.7
141.06984	3.2
142.07767	2.9
143.08556	16.4
145.06470	7.7
145.10095	22.7
147.08028	13.0
147.11673	16.4
149.05916	2.1
149.09596	8.2
149.13258	5.4
155.08521	6.8
157.06503	4.4
157.10104	10.5
159.08060	9.9
159.11681	10.7
161.09593	13.0
161.13237	7.8
163.07553	2.6
163.11197	5.5
167.08549	5.0
169.10124	5.6
171.08057	3.7
171.11658	19.3
173.04437	8.9
173.09590	3.0
173.13284	4.8
175.11201	5.4
177.12720	5.8
179.14305	3.2
181.10069	3.4
183.11682	4.0
185.09575	3.1
185.13243	4.1
187.11151	6.9
187.14836	2.2
189.12804	4.9
191.14006	2.0
195.11707	4.9
199.11229	2.3
199.14798	3.3
201.12750	3.7
207.11978	2.4
207.13734	9.3
211.14876	1.9
213.12755	1.9
217.15871	11.8
219.13791	2.2
223.14923	3.6
227.12576	1.9
233.15414	2.9
245.18980	2.8
251.14296	2.0
255.17479	4.8
263.16425	2.8
269.15411	3.4
273.18445	55.8
274.18869	3.3
275.19989	3.3
279.15955	9.5
281.17477	17.0
287.16382	7.5
291.19507	96.3
292.19989	2.3
315.16025	2.0
347.22025	12.3
361.20239	2.2
365.23172	15.1
395.19217	2.5
407.53854	1.8
425.21628	11.9
435.23621	2.0
553.35205	19.6
571.36218	26.4
633.38196	2.8
679.38550	2.3
697.38910	3.6
715.39984	8.0
733.41486	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.3
67.01858	0.3
68.99784	0.2
69.03400	0.2
70.01392	0.1
70.48347	0.5
71.01358	0.5
73.02903	0.3
81.07021	0.1
85.02881	2.1
91.05478	0.1
95.01308	0.5
97.02860	0.2
105.07056	0.1
113.02339	0.5
127.03919	0.1
131.03363	0.3
131.08574	0.2
135.04364	0.2
139.03859	0.3
141.01799	1.4
141.06970	0.3
144.05704	0.2
147.04352	0.3
153.01797	23.3
153.74792	0.1
154.02098	0.4
155.08513	0.2
157.10135	0.1
159.02942	0.6
159.04065	0.1
159.08018	0.2
161.05986	0.2
163.03876	0.5
167.08504	0.1
169.06526	0.2
171.02876	0.2
173.05930	0.2
187.07510	5.8
189.05438	2.8
211.07385	0.1
213.05502	0.2
226.06194	0.2
227.06821	0.1
233.08037	0.1
237.05284	0.1
253.04991	0.2
255.06477	0.4
261.05978	0.1
265.04807	0.3
265.08359	0.1
269.04565	0.2
270.05206	0.2
273.07593	0.2
279.06155	0.2
281.04443	0.3
282.05191	5.1
283.05972	2.1
283.09189	0.2
287.05530	0.2
293.04745	0.1
293.07932	0.5
295.06000	0.2
297.03842	0.7
297.06924	0.1
298.04657	0.6
299.05392	0.3
307.06064	0.2
310.04651	0.8
311.05441	23.0
312.05905	0.6
321.07489	0.3
323.05392	0.3
324.06140	0.3
325.06970	0.3
326.07828	0.2
339.08575	13.6
340.08994	0.5
355.00687	0.1
383.11169	100.0
384.11526	3.7
425.12329	0.3
449.11719	0.2
502.30469	0.1
541.13220	0.4
559.14386	4.8
560.14197	0.2
735.17462	2.3
736.17700	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	735.43
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.6
53.21470	1.7
55.01861	22.3
55.05234	2.6
55.05502	36.0
57.03431	11.9
58.26533	1.7
61.02901	7.4
65.03920	3.9
67.05494	91.8
69.03416	16.6
69.06734	2.4
69.07059	28.1
71.04987	12.2
71.71638	3.0
73.02899	4.3
75.55986	1.8
76.53877	1.6
79.05481	100.0
81.03405	36.2
81.07043	95.3
83.04964	20.8
83.08614	17.1
85.02888	17.3
85.06510	4.4
91.05465	99.1
92.05766	2.3
93.07029	91.0
95.04955	41.0
95.08001	3.8
95.08591	49.8
97.02876	14.9
97.06516	31.1
97.10161	11.5
99.04404	5.3
99.08068	3.6
103.05440	2.7
105.04469	3.3
105.07016	78.1
107.04951	22.0
107.08587	48.4
109.02823	6.1
109.06506	17.6
109.10150	19.3
111.04403	4.3
111.08030	5.6
115.05443	4.6
117.07014	24.9
119.08561	51.4
121.06504	10.6
121.10143	22.7
123.08046	12.9
123.11666	5.1
125.09644	10.1
127.03883	6.0
128.06204	4.7
129.05467	3.2
129.06995	30.2
130.07727	3.1
131.04893	3.4
131.07629	3.3
131.08549	32.8
133.06448	7.7
133.10107	34.7
133.11089	1.3
135.04327	2.1
135.08055	8.9
135.11665	10.1
137.09569	4.6
141.06920	4.1
142.07722	3.3
143.08536	19.8
145.06435	5.3
145.10109	32.6
147.08012	7.1
147.10571	3.8
147.11662	50.5
149.09612	19.1
149.13200	4.5
151.11171	4.0
155.08511	6.6
156.09247	2.1
157.06390	1.8
157.10130	8.8
159.08000	3.6
159.11678	15.0
161.09587	7.4
161.13237	14.4
163.11162	12.2
165.09068	2.5
165.12628	2.2
169.10104	5.4
171.08011	2.9
171.11653	30.4
173.04446	9.2
173.09589	3.2
173.13231	8.5
175.11081	3.1
177.12733	5.2
179.14314	4.4
181.10065	3.2
183.11658	6.2
185.09679	3.7
185.11528	2.0
185.13147	4.6
187.11116	3.0
187.14803	2.6
189.11169	6.9
189.12737	9.5
195.11716	2.3
197.13231	5.9
199.14832	3.5
205.12238	2.0
207.13748	28.0
227.12721	17.8
229.19496	3.2
239.17897	2.4
257.18918	13.0
267.15979	2.6
269.17499	3.5
273.18567	4.8
275.17706	1.5
275.20038	61.9
281.17432	67.6
283.15527	2.4
287.16501	3.3
291.19400	2.2
293.21155	5.0
331.22885	2.9
349.23688	30.8
367.24673	3.8
377.23135	5.8
413.21756	3.0
425.21432	2.2
435.26981	2.8
441.74942	1.9
451.26740	8.7
459.31018	4.7
475.30573	24.4
482.77020	2.0
527.37152	2.6
537.35809	3.6
555.36877	44.2
555.45148	1.8
573.37579	11.7
592.63153	2.0
619.34357	6.3
635.39081	2.2
705.92407	2.3
717.41504	3.4
735.41272	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	735.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90953	1.8
53.03939	10.9
55.01863	24.4
55.05270	2.2
55.05505	28.3
57.03439	12.1
59.05009	2.6
61.02910	8.0
65.03923	5.9
67.05493	78.8
68.05815	2.1
69.03416	16.1
69.07052	25.8
70.06042	9.0
71.04975	6.8
73.02892	5.3
73.06523	2.6
77.03932	2.7
79.05482	100.0
81.03402	28.8
81.06548	2.6
81.07043	85.9
83.04961	21.3
83.08610	18.2
85.02885	13.5
85.06525	5.4
91.05465	90.2
93.07030	89.4
95.04953	36.1
95.08590	43.8
97.02871	10.4
97.05943	3.2
97.06519	33.9
97.10150	9.3
99.04424	4.8
99.08070	2.7
103.05493	2.3
105.04520	2.7
105.07014	70.9
106.07308	2.2
107.04939	21.6
107.08577	45.6
109.02826	5.0
109.06490	12.7
109.10136	18.5
109.30084	1.9
111.04412	4.8
111.08064	5.8
115.03944	2.0
115.05435	4.5
117.06995	28.5
119.08559	51.0
121.06469	9.6
121.10120	15.7
122.33849	2.1
123.08062	10.3
123.11681	4.9
125.09621	9.3
127.03862	5.3
128.06200	4.2
129.06984	26.3
131.04999	2.7
131.08539	29.1
133.06512	3.8
133.09163	3.6
133.10106	35.2
134.10454	3.0
135.08086	8.6
135.11690	12.0
137.09566	5.6
139.07533	2.1
139.11086	2.0
141.06981	4.0
142.07787	2.8
143.08516	18.4
145.06401	4.8
145.10106	33.2
147.07996	5.9
147.11655	48.0
149.09598	18.3
149.13243	5.7
151.11130	3.4
155.08539	4.4
157.10110	9.6
159.08032	2.4
159.11681	16.7
161.09572	7.5
161.13268	12.6
163.11174	12.8
169.10159	8.8
171.07971	2.5
171.10193	2.8
171.11659	30.9
173.04422	4.2
173.11859	2.3
173.13190	8.6
175.11171	2.8
177.12715	3.2
179.10614	2.1
179.14345	3.5
181.10083	1.9
181.12202	1.7
183.11650	5.2
185.09471	2.5
185.13239	4.9
187.11165	3.6
187.14854	2.3
189.11278	4.4
189.12720	12.4
191.10571	2.9
195.11726	2.4
197.13197	6.2
199.14873	3.1
201.12733	3.4
205.12230	2.4
207.13754	20.4
209.13087	2.4
211.14912	2.5
219.13712	2.3
227.12740	18.0
229.19374	3.5
232.97243	2.0
233.15350	2.9
239.18011	4.4
247.20540	3.6
253.14253	2.4
257.18988	14.1
259.20520	3.0
267.15784	2.9
273.18515	4.0
275.20035	57.2
276.20685	2.0
279.16049	3.2
281.17419	60.4
289.17914	2.4
291.19498	5.5
293.20981	5.5
297.17316	2.2
313.21262	2.1
331.22699	2.4
336.61038	1.9
349.23691	31.7
367.24545	2.8
377.23141	7.5
435.27667	2.4
459.30676	8.9
475.30392	6.8
497.32410	1.9
515.33850	2.1
527.37274	4.0
537.35455	6.2
541.35187	2.1
555.36792	51.3
556.36536	2.5
573.38141	14.5
699.40619	2.7
717.42010	2.8
735.43402	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	735.43
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	13.8
53.05860	2.8
55.01864	14.7
55.05504	38.6
57.03421	14.0
61.02902	5.9
65.03924	3.4
65.40430	2.8
67.05495	89.5
69.03411	18.3
69.07056	26.6
69.38477	11.6
69.38902	19.2
71.04961	9.2
73.02896	4.4
73.23667	3.0
79.05482	95.9
81.02941	3.0
81.03407	42.2
81.07046	100.0
83.04974	25.8
83.08607	12.1
85.02879	11.3
85.06511	5.9
91.05467	98.6
93.07034	99.5
95.04963	35.7
95.08588	55.1
96.64451	2.4
97.02873	11.1
97.06503	19.0
97.10147	7.4
98.21400	5.9
99.04437	6.9
99.07999	3.0
103.05448	3.9
105.07013	82.3
107.04951	20.7
107.08575	38.0
109.02840	6.6
109.06486	10.2
109.10138	17.6
111.04408	5.6
111.08070	5.1
115.05398	3.8
117.06991	23.2
119.08565	51.9
121.06480	8.8
121.10135	21.0
123.04412	2.8
123.08051	12.5
123.11669	6.1
125.09633	3.6
127.03903	9.0
127.07466	2.4
128.06235	4.0
129.05464	3.8
129.06979	24.8
131.04836	2.8
131.08549	23.6
133.06468	7.1
133.10104	39.2
135.08018	5.9
135.11703	9.1
143.08549	16.0
145.06500	3.4
145.10098	32.4
147.11665	42.6
149.09589	13.9
149.13213	8.8
151.11153	6.2
155.08531	5.6
157.10127	6.4
159.11673	17.4
161.09566	6.3
161.13210	12.3
163.11176	6.5
169.10104	4.0
171.11679	32.1
173.04465	10.1
173.09535	4.1
173.13124	6.3
175.11119	3.9
177.12727	3.9
183.11656	5.7
185.13219	5.6
189.12694	9.3
195.11781	3.1
197.13187	5.0
207.13779	22.9
221.15329	3.4
227.12674	5.4
239.17885	3.1
247.20430	4.0
253.14291	11.7
257.18851	12.6
267.15915	4.2
269.17542	3.8
275.17065	5.6
275.19977	49.1
281.17438	63.7
287.16299	4.2
291.19434	6.0
293.21033	6.9
299.20145	2.9
322.11639	2.5
331.22476	3.2
349.23572	22.9
360.15637	2.8
367.24850	3.3
377.23611	3.0
413.21622	5.4
475.30551	56.5
537.35425	4.4
555.36804	46.6
573.37909	23.6
619.34473	13.8
717.41583	4.8
735.42426	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	735.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00093	1.7
53.03942	9.9
55.01643	1.6
55.01870	23.7
55.05505	33.7
57.03426	12.1
57.97225	1.7
58.85545	1.6
59.04971	1.4
61.02923	8.6
65.03910	4.6
67.05497	75.3
69.03422	11.5
69.06730	2.5
69.07059	25.6
71.04967	5.8
73.02888	3.6
76.77301	1.5
77.03863	1.8
79.05482	100.0
79.46294	1.6
81.03409	22.5
81.07045	81.2
83.04972	17.5
83.08608	14.6
85.02902	8.2
85.06512	4.7
87.04420	2.1
91.03908	2.7
91.05467	79.6
91.06039	4.0
93.07032	80.9
95.04956	30.8
95.08595	45.4
97.02878	8.6
97.06510	29.2
97.10162	13.3
98.45991	1.6
99.04408	1.6
99.08047	2.5
103.05435	1.9
105.07018	75.2
105.07723	3.8
107.04932	20.7
107.08575	41.2
109.02866	4.7
109.06505	13.2
109.10146	15.8
111.08050	6.7
117.06987	19.0
119.08562	42.8
121.06475	7.5
121.10117	13.5
123.08042	9.2
123.11671	4.0
125.09600	12.3
127.03886	5.5
128.06192	4.3
129.05504	2.0
129.06982	25.2
131.08546	21.4
133.06448	3.9
133.10120	26.8
135.08040	5.1
135.11664	7.2
137.09554	2.1
141.06992	2.3
143.08543	14.7
145.06403	3.2
145.10115	27.1
147.07997	4.5
147.11670	43.8
149.09598	19.6
149.13237	3.1
151.11143	2.3
155.08530	2.1
157.10112	7.4
159.08020	3.2
159.11658	13.4
161.09564	5.7
161.13240	12.8
161.65887	1.7
163.11180	10.0
169.10094	4.9
171.11684	25.6
173.04504	4.3
173.13234	6.5
177.12743	2.1
179.14360	3.2
181.10193	2.4
183.11668	5.1
185.09558	2.2
187.11223	3.4
187.14832	3.1
189.11142	6.6
189.12735	12.6
195.11653	2.1
197.13286	2.7
207.13745	26.1
209.13184	1.9
223.14841	1.9
227.12726	25.0
229.19392	1.8
239.17929	2.5
244.49229	1.6
247.20592	2.7
257.18982	11.7
267.15967	2.6
273.18375	2.6
275.20041	54.7
281.17438	57.6
282.17902	2.2
293.21024	4.3
313.21667	1.7
331.22519	3.6
349.23694	34.7
349.27881	2.6
350.24338	1.6
367.24951	2.3
377.23178	6.2
435.27588	2.9
451.26791	5.3
459.30826	5.7
475.30508	19.0
509.15399	1.8
527.37305	1.8
537.35547	2.8
555.36780	47.6
556.36908	3.1
573.38025	11.0
619.34351	4.0
735.42822	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	735.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.3
55.01869	19.4
55.05502	37.7
57.03432	15.6
57.07054	2.2
61.02901	7.4
65.03926	5.8
67.05495	100.0
69.03411	20.1
69.07059	27.3
69.55969	13.0
69.56383	4.0
71.04974	9.2
73.02899	3.6
77.03905	1.9
79.05481	89.7
81.03407	34.1
81.07044	82.1
81.07392	1.3
83.04967	20.7
83.08606	18.9
85.02895	14.0
85.06518	5.7
91.05467	79.1
91.06044	4.6
93.07032	84.3
95.04953	36.4
95.08587	48.5
97.02893	12.8
97.06520	26.8
97.10150	12.3
99.04409	4.7
99.08039	2.6
103.05447	5.9
105.07012	74.2
107.04948	20.2
107.08576	45.1
109.02865	6.8
109.06509	13.7
109.10142	21.7
111.04475	2.3
111.08049	7.7
115.05435	5.9
117.07002	26.2
119.08569	51.8
121.06480	6.5
121.10102	18.6
123.04362	3.4
123.08047	9.1
123.11697	6.0
125.09589	12.0
127.03890	7.9
128.06195	7.1
129.06984	21.9
130.07764	4.2
131.08563	30.3
133.06490	6.0
133.10103	31.3
135.08037	10.0
135.11679	12.6
137.09576	6.0
141.06955	5.5
142.07741	3.9
143.08539	20.6
145.04938	2.4
145.06424	4.7
145.10117	31.8
147.08032	9.8
147.10570	3.1
147.11671	39.9
149.09637	13.5
149.13200	2.4
151.11171	4.6
155.08533	7.0
157.10130	11.8
159.08022	5.4
159.11649	16.9
161.09602	8.9
161.13280	13.7
163.11200	13.0
165.12726	3.6
169.10114	7.9
171.10332	3.5
171.11673	27.6
173.04399	5.4
173.09572	3.4
173.13268	7.0
175.11224	2.9
175.14838	2.5
177.12703	4.5
179.14311	3.5
181.10039	3.8
183.11687	6.1
185.13239	4.6
187.11153	2.8
187.14920	2.1
189.11145	5.0
189.12753	9.0
195.11743	3.5
197.09517	2.2
197.13268	3.8
199.14848	3.2
201.12694	3.0
205.12178	2.7
207.13724	19.2
209.11676	2.9
217.15831	2.3
221.15370	2.0
225.14720	2.8
227.12701	19.0
229.14262	3.6
239.17961	6.9
257.18970	15.8
269.15280	3.7
273.18500	6.1
275.17108	4.1
275.20020	61.3
276.20160	2.8
279.16022	2.8
281.17435	47.3
283.15311	5.2
287.16412	6.9
291.19489	5.9
293.21082	7.4
331.22742	2.7
349.23706	25.8
367.24670	6.6
377.23178	3.9
425.21686	3.9
435.27444	10.3
450.32608	2.1
451.26688	3.3
459.30795	6.7
475.30429	4.9
527.36743	2.5
537.35614	7.3
555.36969	42.1
573.38013	14.6
717.41620	3.7
735.44592	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	736.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01860	0.4
55.05498	1.7
57.03417	1.0
57.07070	0.3
65.03920	0.7
67.05495	3.2
69.03407	1.2
69.07036	0.6
69.76878	0.4
69.77230	2.5
70.06563	0.7
71.04972	1.3
79.05479	4.0
81.03403	0.9
81.07044	8.0
83.04961	0.9
83.08589	0.8
84.08132	0.9
85.02901	2.5
85.06550	0.5
86.09672	0.4
91.05466	6.5
93.07034	9.4
95.04958	1.8
95.08593	18.5
96.08938	0.4
97.02873	1.3
97.06555	0.8
105.07014	12.6
105.07719	0.7
107.08576	38.7
108.08886	0.8
109.02845	0.4
109.06508	6.1
109.10143	5.6
111.08073	0.5
117.06982	0.3
119.08559	0.8
121.10124	28.8
122.10466	0.4
123.08051	0.8
123.11681	6.2
127.03880	0.7
131.08574	2.0
133.10107	36.5
134.10419	0.6
134.23616	0.3
137.05936	0.5
139.11177	0.6
145.02846	0.5
145.05003	0.5
145.10162	0.5
147.04430	0.4
147.11711	0.9
151.07532	0.7
151.11159	18.4
153.09021	0.5
161.59642	0.4
163.03886	1.8
167.07034	0.4
167.14278	0.8
169.12216	100.0
170.12584	2.5
173.13203	1.1
175.14813	2.8
176.10712	0.9
191.14215	1.9
193.15785	1.7
209.15343	9.2
219.11230	0.4
227.16371	2.2
266.13770	1.7
340.08862	0.6
383.11331	0.7
384.11594	1.0
590.22235	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.1
55.01604	2.0
55.01863	43.9
55.05504	55.5
57.03434	19.5
57.07059	2.8
59.04983	4.2
59.28933	1.9
61.02913	22.0
65.03933	6.9
67.05495	88.5
68.05836	2.2
69.03417	27.1
69.07053	34.7
70.06570	4.3
71.01314	3.5
71.04982	11.0
71.08591	2.2
71.71533	2.2
73.02906	11.3
77.03886	3.2
79.05478	100.0
80.05798	3.4
81.03402	53.0
81.07042	96.8
82.03734	1.9
82.07380	2.3
83.01318	10.6
83.04963	31.9
83.08604	32.1
85.02892	30.3
85.06516	3.4
86.09646	2.5
89.94448	1.9
91.03925	8.3
91.05460	85.0
92.05774	3.2
93.07027	93.1
94.07351	4.2
95.01302	2.0
95.04950	32.4
95.08591	48.9
96.05286	3.3
97.02876	25.6
97.06516	49.7
97.10150	30.4
98.06841	2.5
99.04424	6.6
99.08070	4.8
101.02351	2.8
103.03899	2.2
103.05445	5.5
105.07013	75.8
105.07719	3.8
106.07359	4.4
107.04939	37.7
107.08572	65.0
108.08904	3.0
109.02831	11.2
109.06493	24.3
109.10140	30.0
111.04417	11.9
111.08055	9.8
111.09182	2.0
113.05903	2.2
115.05433	7.9
117.07001	34.9
119.04921	2.3
119.08560	54.2
121.06496	15.8
121.09280	2.1
121.10130	30.4
123.04398	4.9
123.08064	22.8
123.11661	9.1
125.06020	2.2
125.09605	26.7
127.03908	10.1
128.06186	6.1
129.05467	3.0
129.06990	16.8
131.04893	3.7
131.08542	39.6
133.06451	7.1
133.10110	38.2
134.10391	3.8
135.04358	7.7
135.08023	16.8
135.11664	23.9
137.09612	6.6
139.07527	3.5
141.06909	3.6
142.07764	3.9
143.08546	10.8
145.06450	6.1
145.08963	3.6
145.10089	46.6
147.04390	2.9
147.08008	9.3
147.11664	24.4
148.12036	3.3
149.09583	33.8
149.13264	3.9
151.11177	4.3
153.09076	4.2
153.12686	5.3
155.08525	7.5
157.10107	8.7
159.08037	4.8
159.11694	16.7
161.05936	4.1
161.09558	6.6
161.13228	8.3
163.03912	2.4
163.11154	41.1
165.09105	3.5
165.12730	3.1
167.06912	2.9
168.09308	2.4
169.10068	5.8
171.07907	3.4
171.10236	2.8
171.11649	8.9
172.58128	1.9
173.04425	2.8
173.05833	2.4
173.09590	10.1
173.11888	3.1
173.13113	10.1
175.11156	7.8
175.14854	2.6
177.12654	5.0
179.14273	5.8
181.10048	3.0
181.12222	11.1
183.08029	2.0
183.11668	5.1
185.09630	3.4
185.13194	3.3
187.11150	6.1
187.13222	2.1
187.14749	2.4
189.11206	20.8
189.12704	3.4
190.09914	2.1
191.10588	7.1
193.12251	10.3
195.11667	3.2
199.11191	4.3
201.12712	4.2
203.10654	1.9
203.14281	2.4
205.12344	2.8
207.13768	4.5
209.09901	2.2
209.11623	10.5
211.11407	3.0
211.13203	14.0
213.12570	2.3
223.13203	4.4
227.12743	65.3
229.14403	3.8
229.19496	4.1
239.18062	3.7
247.20511	4.3
257.19058	11.9
261.14725	2.2
265.14359	2.2
267.15894	10.6
273.18402	11.9
275.20016	90.6
275.23026	4.6
276.20309	6.1
277.21167	2.1
281.17447	7.0
282.17776	3.3
283.15350	95.4
284.15762	2.6
285.16934	4.6
291.19507	19.4
293.21082	6.2
313.21515	4.9
315.19366	2.1
331.22546	2.7
347.22055	2.5
349.23676	53.9
365.23239	10.4
379.20987	5.9
429.21088	2.6
453.24475	16.0
459.27206	2.1
461.28870	14.3
477.28488	6.3
483.30737	2.9
493.27713	2.9
528.37006	3.2
539.33539	6.5
543.36957	3.2
556.36987	2.7
557.34570	60.2
558.34888	2.4
575.35687	32.9
599.35785	3.4
719.39490	7.0
737.19751	2.3
737.40314	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	737.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.0
55.01864	27.5
55.05505	39.3
56.41014	2.2
57.03186	4.0
57.03430	37.0
57.07057	3.6
59.04998	6.3
61.02903	9.1
65.03940	4.9
67.05501	84.2
69.03426	36.3
69.07063	31.2
69.43955	27.9
70.06583	2.9
71.01360	3.9
71.04990	23.0
73.02903	8.4
79.05482	74.9
81.03410	100.0
81.07048	82.6
81.07534	3.0
83.01326	4.6
83.04978	39.9
83.08610	35.0
85.02895	36.1
85.06522	9.9
87.04465	5.0
91.05468	84.6
92.05796	2.8
93.07029	85.4
94.07357	2.6
95.04963	53.0
95.08602	45.2
97.02882	29.2
97.06522	31.4
97.10146	17.0
99.04440	13.2
99.08090	27.5
103.05461	5.3
105.07026	63.5
107.04944	31.0
107.08581	58.3
108.30915	2.4
109.02889	14.6
109.06513	35.0
109.10137	30.9
111.04430	16.1
111.08071	16.6
113.06010	12.5
115.05389	2.6
115.07553	7.3
117.06240	4.2
117.07011	30.6
119.04951	3.8
119.08574	51.6
121.06509	17.4
121.10143	35.6
123.04389	5.6
123.08081	12.5
123.11680	9.1
125.06025	3.5
125.09620	15.9
127.03928	17.4
127.04700	3.0
127.07538	10.9
128.06232	4.4
129.05467	6.3
129.06993	22.6
131.08574	39.7
133.06464	8.0
133.10104	30.8
135.04428	3.0
135.08026	24.9
135.11690	11.6
137.09648	6.8
141.07014	4.5
142.07794	5.0
143.08548	18.3
145.04926	3.5
145.06477	7.5
145.10110	41.0
147.04431	4.2
147.08020	13.8
147.11681	30.2
149.09610	20.0
149.13275	5.6
151.11174	4.5
153.06868	2.9
153.09090	3.1
153.12743	5.4
155.08525	7.8
155.10605	2.7
157.06505	3.6
157.10110	22.0
159.08025	8.2
159.11690	18.4
161.09595	12.2
161.13274	6.2
163.03925	9.0
163.11186	30.4
163.14923	3.6
165.12802	5.8
167.08618	3.1
169.10136	6.3
170.92578	3.1
171.08044	4.2
171.11617	12.7
173.04492	5.6
173.09604	9.9
173.11824	5.2
173.13287	10.0
175.11082	13.9
175.14705	6.2
177.12758	6.0
177.16476	3.0
179.08435	3.4
181.10081	5.5
181.12236	10.7
183.11667	8.2
185.09689	3.9
185.13252	4.9
187.11115	5.3
187.14772	4.4
187.46341	2.7
189.11214	8.5
189.12746	5.9
189.16376	5.1
191.10654	10.3
192.22026	2.8
193.10435	5.1
193.12233	32.2
195.11713	5.0
197.13228	3.2
199.11186	3.5
199.13103	2.6
199.14857	10.0
201.07370	3.0
201.12737	6.4
201.16457	6.5
203.14284	3.0
203.17941	4.8
205.15775	4.2
207.13885	3.3
209.11667	9.1
211.13258	35.5
215.17947	6.0
217.15884	10.9
225.16159	2.7
227.12685	20.1
229.14214	6.4
237.16315	3.8
245.18930	6.1
247.16988	3.5
247.20413	3.3
249.14764	4.1
255.17534	3.3
257.19104	7.0
259.16968	2.8
265.14285	3.1
267.15875	20.5
273.18484	32.1
275.20074	29.6
283.15378	28.8
284.15833	3.2
285.16907	16.6
291.19516	47.1
293.21143	3.4
301.16559	3.8
329.21152	3.5
347.22141	10.1
349.23648	13.2
365.23334	13.7
398.80176	2.9
399.21878	3.5
407.33179	8.1
411.12866	2.6
427.19406	4.9
429.21140	11.6
437.25189	9.0
453.33704	16.6
461.29083	4.3
465.29987	5.6
501.32315	3.8
517.31458	4.2
539.33710	13.0
557.34656	40.9
575.35773	33.2
665.36157	3.6
683.37457	3.8
701.38776	6.6
719.39990	14.5
737.41260	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	737.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.6
55.01855	6.8
55.05504	34.0
57.03190	1.7
57.03429	15.1
57.07062	2.7
59.04980	2.1
61.02916	26.6
65.03908	4.6
67.05494	65.0
69.03419	14.1
69.07063	20.3
69.50212	13.3
71.01351	1.4
71.04984	15.6
71.08632	1.6
73.02903	12.2
79.05485	49.8
81.03408	16.2
81.07044	56.8
82.07362	2.6
83.04967	7.5
83.08601	16.7
85.02892	20.6
85.06527	3.3
91.03954	12.0
91.05466	44.3
91.06040	2.7
93.07027	48.1
95.04967	10.6
95.08591	42.9
97.02881	18.5
97.06516	6.8
97.10154	17.2
99.04425	1.4
99.08052	6.6
101.02362	3.7
103.05421	3.2
105.07015	46.0
107.04939	6.7
107.08580	28.8
109.02856	4.6
109.06516	7.2
109.10136	23.6
111.04439	2.1
111.08076	6.6
115.05469	3.4
117.06995	23.1
119.08562	35.8
121.06479	6.2
121.10114	19.7
123.08047	6.9
123.11681	7.3
125.09616	16.7
127.03893	4.3
128.06219	7.0
129.06992	22.7
131.08534	33.3
133.06474	4.3
133.10100	18.6
135.08028	7.5
135.11650	10.6
137.09576	4.0
141.06985	10.1
142.07791	7.6
143.08542	24.3
144.09291	2.6
145.06462	4.2
145.10103	30.6
147.08020	6.2
147.11659	13.3
149.09595	6.6
149.13217	3.0
149.35020	1.7
151.11137	3.1
153.06990	2.9
154.07736	2.3
155.08513	16.4
156.09319	3.2
157.10101	25.8
159.08055	6.4
159.11670	26.2
161.09592	6.6
161.13188	9.5
163.11201	4.7
165.06931	2.5
167.08531	7.4
167.10597	1.8
168.09335	2.2
169.10106	14.0
171.08020	2.3
171.10258	1.2
171.11659	23.0
173.09615	5.5
173.13187	15.7
175.11168	5.0
175.14810	2.6
179.08516	3.8
181.10095	10.2
183.11668	17.3
185.09514	1.7
185.13264	12.5
187.11183	5.2
187.14801	5.6
189.11212	11.7
189.12720	2.8
193.10138	5.3
193.12187	3.5
195.11646	11.1
197.09648	1.7
197.13220	13.7
199.11183	2.8
199.13220	2.3
199.14774	8.5
201.12717	2.3
201.16397	1.9
207.11656	4.7
207.13614	2.1
209.13229	9.4
211.11226	2.0
211.14795	5.5
213.12692	2.3
213.16310	3.8
215.14301	2.9
217.15802	2.6
219.11743	2.3
221.13257	3.8
223.14824	5.6
225.16408	2.7
227.12718	13.7
229.14183	1.7
233.13222	2.2
235.14766	5.1
237.16347	3.3
241.19872	1.5
245.13567	2.4
249.16469	2.3
259.20468	2.4
273.18353	4.8
275.20178	2.5
281.17618	1.5
283.20618	5.5
285.18637	1.7
285.22162	4.9
287.20041	3.4
291.19763	2.3
297.22104	3.5
299.20532	2.3
299.23575	10.5
301.21619	3.4
305.21146	2.0
311.23792	1.9
313.21738	2.2
321.21768	2.8
335.23813	2.6
337.21634	2.6
339.23087	4.0
347.22498	1.9
357.24078	2.8
361.23801	2.4
371.25775	2.7
387.26245	1.6
415.29623	5.6
421.25781	3.2
433.31030	20.2
435.27243	1.7
443.27670	8.7
445.29587	1.8
451.32071	14.8
457.26062	2.2
459.31332	2.1
461.28757	1.8
465.34149	1.6
469.33417	7.7
471.31851	1.7
475.30563	1.8
489.33447	3.4
499.34140	2.4
507.34644	10.8
515.37433	2.6
517.35278	27.4
518.35480	3.4
525.35669	80.0
526.35718	7.3
543.36749	100.0
544.36896	7.8
557.38373	23.0
558.38147	3.6
575.39447	35.0
576.39758	3.4
679.40039	4.9
687.40735	4.8
705.42316	2.2
737.43842	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	738.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75468	0.1
51.96504	0.1
53.03934	0.3
55.01859	0.2
55.05485	0.4
57.03433	1.4
59.04960	0.1
59.12926	0.1
63.02366	0.2
67.05481	0.3
69.03414	1.8
69.07064	0.2
70.83824	0.5
71.01343	0.2
71.04983	8.4
73.02907	0.2
75.04429	0.1
76.16511	0.2
76.64813	0.1
79.05466	0.8
81.03402	1.1
81.07041	0.4
83.04977	0.9
83.08572	0.2
85.02892	9.7
85.98880	0.2
89.03898	2.0
91.05450	0.5
95.04945	0.5
95.08584	0.2
97.02877	2.7
97.06511	1.3
99.04457	0.5
105.06992	0.3
107.04935	1.2
109.02862	0.3
109.10148	0.3
111.04427	0.5
117.03360	2.6
119.04947	0.2
121.06494	0.2
127.03889	0.6
129.05478	3.2
131.08572	0.2
135.04396	7.6
137.05936	0.6
145.02827	7.5
146.08104	0.3
147.06477	0.9
163.03880	100.0
164.04247	1.4
164.09157	0.2
165.05426	0.4
169.12195	0.2
173.05986	0.2
181.04932	2.0
186.05452	0.2
189.05505	0.2
191.07047	1.1
215.10652	0.6
231.10197	0.3
233.11693	2.6
257.11823	0.3
263.12708	0.3
265.07153	0.3
267.15897	0.6
275.12802	0.5
291.08560	0.5
299.14886	0.6
307.08008	0.6
309.09677	1.5
325.09134	16.3
326.09473	0.5
341.13626	0.2
343.15320	0.4
359.14743	0.3
361.16489	0.3
379.17548	0.2
395.14798	0.2
471.14911	0.4
491.26166	0.6
520.38623	0.2
546.96362	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
55.01865	11.8
55.05503	31.4
57.03163	1.3
57.03429	21.2
57.07064	2.0
59.04992	37.8
59.96025	0.7
61.02920	5.0
65.03928	2.0
67.05493	67.4
68.05820	1.8
69.03421	6.9
69.07052	9.2
69.43996	7.5
71.01345	2.1
71.04610	1.0
71.04984	13.7
73.02898	1.8
79.05016	1.6
79.05480	32.5
81.03403	17.9
81.07042	29.2
82.07393	0.7
83.01324	6.6
83.04966	13.8
83.08611	17.1
85.02898	11.0
85.06526	3.5
86.09686	0.9
87.04452	53.8
91.03947	1.2
91.05461	22.2
92.05800	0.9
93.07032	30.7
95.04947	9.1
95.08592	12.5
97.02878	7.8
97.06519	7.8
97.10158	13.9
98.21388	1.5
99.04436	18.2
99.08042	1.7
101.06057	1.1
103.05450	1.5
105.07011	13.5
107.04930	8.4
107.08576	19.3
109.02885	1.4
109.06493	7.4
109.10137	51.3
110.10474	1.8
111.04417	5.8
111.08073	4.4
115.03918	1.3
115.05446	1.6
117.07006	9.3
119.08552	13.9
121.06491	4.7
121.10127	9.8
123.04427	1.3
123.08047	8.4
125.05981	1.4
125.09620	14.7
127.03885	2.0
129.05470	1.1
129.06990	3.8
130.07703	1.1
131.08533	6.4
133.10121	3.8
134.75052	0.7
135.04495	0.9
135.08058	2.5
135.11668	12.6
137.05954	0.9
137.09596	4.1
143.08508	1.2
143.10764	1.7
145.04985	0.9
145.06419	1.1
145.10103	17.0
146.10490	1.0
147.08038	2.9
147.11710	1.4
148.12187	0.9
149.05989	0.7
149.09584	2.1
153.12709	4.8
155.08533	1.8
155.10611	4.1
157.10158	0.8
159.11652	1.6
163.03870	7.2
163.11163	26.8
173.09550	4.5
173.11708	20.6
173.13234	0.9
181.12254	5.6
184.07256	0.9
191.10614	4.9
193.12215	1.5
199.13268	9.3
209.11694	12.7
211.13237	1.7
223.13315	1.3
227.10623	1.5
227.12746	12.2
229.14313	54.2
230.14650	1.0
236.36313	0.8
241.14337	6.0
253.14427	1.0
257.13885	3.2
267.15869	3.7
275.20193	1.1
276.20541	1.2
283.15363	89.6
284.15771	2.7
311.14902	4.7
315.17926	7.9
325.09241	0.9
407.24380	5.1
425.25351	17.8
437.25311	100.0
438.25549	3.6
459.27612	1.1
475.27164	1.0
477.28607	1.1
491.26358	2.8
497.10361	1.0
508.30997	0.9
509.27521	1.3
523.28772	2.9
540.33533	0.8
541.29895	2.7
558.34875	1.4
576.36218	2.0
687.42627	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46991	0.9
53.03942	2.6
55.01863	7.7
55.05503	23.2
57.03167	1.3
57.03429	17.3
57.07071	2.7
59.04713	1.9
59.04994	36.0
61.02912	3.3
65.03941	2.4
67.05498	63.1
69.03417	4.7
69.07041	6.7
70.28101	2.0
70.28493	3.2
71.01335	1.6
71.04974	9.4
73.02900	2.2
79.05486	23.4
81.03412	15.8
81.07045	24.3
83.01328	5.9
83.04970	11.2
83.08611	18.9
85.02888	9.4
85.06539	2.4
87.03946	2.3
87.04460	41.9
91.03954	1.7
91.05469	17.8
93.07034	28.7
95.04942	8.3
95.08587	16.1
95.71867	1.0
97.02879	6.1
97.06512	5.8
97.10147	10.8
99.04440	14.0
99.08102	1.5
103.05478	1.5
105.07013	10.4
107.04949	7.2
107.07909	1.6
107.08579	19.4
109.02859	1.5
109.06496	5.6
109.10141	51.8
111.04435	3.9
111.08069	3.5
117.07004	7.2
119.08575	11.9
121.06484	3.7
121.10127	8.3
123.08065	4.8
125.05972	2.1
125.09617	10.2
127.03885	2.2
127.07646	1.2
129.06985	2.7
130.07765	2.1
131.04918	1.4
131.08546	4.4
133.10106	2.4
135.08049	2.7
135.11685	17.0
137.09604	3.9
143.08455	1.3
145.10095	18.1
147.08037	2.1
147.11720	1.2
149.09592	1.7
153.12730	2.6
155.10655	2.8
161.09581	1.2
163.03891	4.4
163.11160	28.6
169.41022	1.1
170.89990	1.2
173.09613	3.3
173.11723	20.4
181.12230	4.8
184.07286	1.6
191.10695	2.9
193.12254	1.2
199.13245	7.5
209.11716	10.5
211.13217	1.2
227.10477	1.1
227.10805	0.6
227.12735	27.9
229.14323	62.0
230.14587	2.4
241.14320	3.2
257.13678	1.7
267.15924	2.6
279.68805	1.0
283.15372	80.9
284.15701	2.3
311.14835	4.0
315.17990	4.3
327.77139	1.1
339.65625	1.1
407.24371	2.7
425.25177	7.5
437.25311	100.0
438.25726	4.7
491.26291	3.0
523.28943	3.6
541.29834	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.9
55.01864	14.7
55.05503	43.6
57.03159	1.6
57.03428	23.7
57.07054	1.7
59.04992	34.7
60.77621	0.8
61.02911	5.9
65.03911	2.1
67.05495	71.3
68.05829	1.0
69.03413	7.3
69.07058	10.3
69.69571	5.9
71.01336	1.5
71.04984	17.7
73.02900	2.9
74.09705	0.8
77.03934	1.0
78.57150	0.9
79.05482	41.9
81.02943	1.1
81.03407	23.7
81.07045	40.2
83.01332	11.7
83.04514	1.1
83.04974	18.8
83.08610	25.8
84.08961	0.7
85.02892	17.3
85.06523	3.8
86.09690	0.9
87.04455	41.9
91.03928	1.3
91.04926	1.5
91.05469	26.9
93.07030	40.0
94.07327	1.0
95.04960	13.5
95.08595	16.6
97.02883	10.6
97.06525	9.6
97.10153	23.1
99.04443	28.9
99.08092	1.2
101.05996	1.9
103.05439	1.5
105.07014	14.5
107.04940	15.9
107.08572	27.3
109.02869	2.0
109.06505	11.8
109.10141	45.2
110.10452	1.0
111.04424	9.0
111.08051	4.4
113.05979	1.1
115.03890	2.1
115.05415	1.3
117.07005	12.2
119.08556	16.9
121.06483	6.2
121.10120	10.2
123.04386	2.4
123.08059	8.9
125.05964	3.0
125.09617	21.4
127.03861	2.4
129.05472	1.4
129.06953	3.6
130.07716	1.9
131.08542	6.9
133.06427	1.0
133.10080	3.2
135.04372	0.8
135.08035	3.7
135.11668	15.6
137.05931	1.5
137.09579	5.3
139.07483	1.0
143.08568	1.4
143.10640	3.0
145.02858	1.2
145.06471	1.9
145.10109	24.1
147.08002	3.0
147.11630	2.3
149.05885	1.1
149.09586	3.4
153.05479	0.8
153.12714	5.1
155.08476	1.6
155.10648	2.6
157.12177	1.1
163.03902	3.9
163.07516	1.0
163.11162	38.8
171.11624	0.9
173.04420	1.5
173.09592	6.8
173.11708	17.7
175.11118	1.3
181.12213	6.9
189.11134	1.6
191.10693	6.7
193.12183	2.6
195.13834	0.9
199.13266	18.9
209.11690	17.3
211.13210	0.9
223.13263	3.5
227.12749	16.8
229.14316	50.0
230.14647	1.2
233.40753	0.8
241.14304	9.2
257.13910	1.3
265.14261	1.7
267.15848	4.7
283.15366	100.0
284.15842	1.9
285.16516	1.0
289.91348	0.8
311.14954	5.1
315.17978	10.9
333.19037	1.1
407.24365	5.1
425.25311	26.2
437.25308	77.3
438.25671	2.1
453.24686	1.4
459.27258	1.9
473.25244	1.7
475.26468	1.0
477.28412	1.4
491.26181	4.9
509.27151	2.3
523.28949	4.5
541.29919	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	738.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98102	0.2
53.00305	0.4
53.03932	1.0
55.01862	1.0
55.05269	0.3
55.05507	3.0
57.03429	3.1
59.04982	0.6
60.59750	0.3
61.02912	0.6
65.03929	0.4
67.05496	4.5
69.03418	1.8
69.07057	1.6
71.01324	0.5
71.04980	8.0
71.69963	0.3
71.70355	0.5
73.02916	0.4
79.05483	4.8
81.03407	12.4
81.07042	4.4
83.04972	2.8
83.08611	3.5
85.02893	10.7
87.04461	0.3
89.03896	2.6
91.04916	0.4
91.05463	4.9
93.07030	4.6
95.04957	4.2
95.08582	2.0
96.20195	0.2
97.02880	4.0
97.06522	1.3
97.10134	0.9
99.00809	1.6
99.04439	0.9
101.02364	0.4
103.05514	0.4
105.07008	4.0
107.04939	3.7
107.08583	2.3
109.02870	1.9
109.06509	1.1
109.10130	1.2
111.04427	1.8
111.08071	1.3
113.32887	0.2
115.03938	0.5
115.05457	0.4
117.03359	3.1
117.07018	1.3
119.04951	0.4
119.08566	3.7
121.06473	1.9
121.10127	1.8
123.04418	0.6
123.08022	1.0
123.11708	0.5
125.05958	0.4
125.09599	0.9
127.03897	1.5
128.06204	0.3
129.05464	3.5
129.06958	1.4
131.08534	1.5
133.06480	0.5
133.10112	4.5
135.04395	9.1
135.08044	0.5
135.11671	1.1
136.04686	0.3
137.05923	1.1
137.09608	0.3
139.07446	0.4
142.07751	0.3
143.08554	1.0
145.02837	7.6
145.06505	0.5
145.10052	1.1
146.03070	0.3
147.04352	0.6
147.06519	1.1
147.08029	0.9
147.11685	1.0
149.09595	1.1
151.07483	0.3
151.11162	0.9
157.10068	1.5
159.07996	0.3
161.05858	0.3
161.09601	3.1
163.03880	100.0
163.11130	1.7
164.04221	3.7
165.05438	0.6
171.01134	0.3
171.08069	0.4
173.04448	0.2
173.05922	0.3
173.09636	0.3
175.11177	1.3
177.05450	0.5
179.10583	1.2
181.04913	1.7
186.05444	0.4
189.09090	1.3
189.11179	0.5
191.06993	1.7
191.10693	0.5
193.12212	3.1
197.11703	0.6
207.10132	0.7
209.11737	1.2
211.13205	0.8
213.12410	0.3
215.10683	0.7
218.85857	0.3
219.13770	1.5
223.13179	0.4
225.11081	1.3
227.12752	1.3
233.11736	3.7
241.14291	0.7
245.08081	0.3
245.11717	0.3
249.14735	0.3
257.11786	0.6
259.09555	0.3
263.12820	0.4
267.15891	13.5
275.12799	0.3
281.13989	1.2
283.15378	2.9
285.16898	0.6
291.08459	0.4
299.14844	9.9
301.16336	0.8
307.08145	0.7
309.09647	1.5
315.17914	0.4
325.09137	16.2
326.09445	0.8
346.95932	0.2
347.14178	0.3
367.22174	0.3
385.23566	0.5
389.22955	0.5
395.14792	0.4
399.21954	0.3
445.26004	1.5
459.27466	1.8
463.26559	1.2
473.25171	3.5
474.25723	0.4
477.28421	1.3
491.26321	14.0
492.26538	0.5
509.27356	1.8
523.28809	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.2
56.05031	0.7
57.07059	0.3
58.06624	0.3
59.07381	0.1
60.08156	6.1
60.29182	0.1
60.93441	0.1
67.05493	0.3
70.06420	0.5
71.07365	3.3
71.08611	0.2
79.05492	0.3
80.29541	0.1
81.03406	0.4
81.07040	0.3
83.08604	0.2
86.09695	31.0
91.05449	0.2
93.07028	0.2
95.04963	0.2
95.08610	0.1
98.98454	2.8
100.39255	0.1
104.07068	0.1
104.10728	2.0
105.07043	0.2
116.99500	0.1
119.08592	0.1
124.12273	0.1
124.99986	19.8
129.06911	0.2
133.10109	0.1
143.01025	0.3
155.08546	0.1
157.12767	0.1
166.02625	0.1
184.07321	100.0
185.07651	0.9
267.15793	0.2
278.39676	0.1
313.27252	0.2
380.21344	0.1
387.09677	0.1
409.82339	0.1
505.38565	0.3
688.45367	5.9
689.45044	0.5
738.33746	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	739.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.3
55.01600	2.1
55.01864	38.5
55.05501	49.7
57.03431	21.0
59.04980	3.6
61.02642	2.5
61.02919	19.0
62.03095	1.9
65.03922	5.1
67.05491	91.1
69.03424	23.2
69.07062	28.0
70.36160	4.3
70.36554	4.7
71.01341	4.0
71.04977	14.8
73.02884	10.3
79.05481	100.0
81.03402	83.7
81.07043	96.2
81.07535	2.4
83.04961	30.9
83.08601	40.0
85.02885	42.3
85.06516	8.2
91.03924	7.1
91.05468	89.6
92.25443	2.3
93.07030	71.9
95.04956	38.3
95.08594	47.2
97.02895	21.5
97.06517	49.8
97.10147	24.2
99.04428	4.1
99.08088	3.8
101.02352	3.5
103.05426	2.3
105.04460	3.3
105.07012	83.5
107.04932	39.0
107.07905	4.1
107.08579	56.0
109.02867	6.3
109.06510	14.4
109.10146	26.3
111.04417	3.8
111.08063	17.7
113.05990	3.8
115.05415	5.4
117.06994	24.7
119.04950	2.3
119.08567	61.3
121.06506	9.2
121.10132	28.9
123.08059	14.0
123.11677	8.2
125.09612	23.3
127.03878	6.3
128.06219	5.8
129.05463	3.2
129.06967	20.6
131.04941	3.7
131.08537	41.5
133.06483	6.7
133.10114	45.0
135.08061	13.0
135.11684	8.8
137.09610	8.6
139.07593	3.8
141.07021	5.8
142.07742	3.4
143.08560	11.4
145.06400	3.4
145.10109	25.2
147.08038	6.9
147.11670	38.1
149.09584	42.0
149.13240	7.2
151.07570	2.6
151.11148	6.0
153.09128	3.5
155.08586	4.3
157.10109	22.3
159.08060	5.6
159.11684	20.3
161.09633	6.4
161.13216	8.4
163.03947	2.4
163.11154	16.5
165.09042	2.3
165.12718	7.8
169.10106	8.4
171.10225	3.2
171.11658	6.7
173.09523	2.5
173.13274	7.3
175.11159	26.2
175.14813	3.3
177.12712	3.9
179.14301	4.1
181.12497	2.2
183.11693	6.0
184.07312	2.6
185.13214	4.8
187.11102	4.8
187.13390	2.8
189.11180	14.1
191.10770	2.4
191.14314	2.2
193.12210	61.8
197.13287	5.5
201.12823	3.0
211.11241	4.1
211.13242	74.9
211.15134	4.3
212.13585	2.5
213.16437	2.7
217.15837	2.7
219.13835	2.5
227.12738	51.1
227.14796	3.6
229.14284	6.9
229.19550	4.7
237.15871	2.0
245.13853	5.2
247.20490	4.5
253.17792	2.6
257.18945	13.4
267.15918	33.4
275.20004	92.9
283.15335	4.1
285.16925	70.4
291.19507	5.2
293.21014	9.6
299.20105	4.0
322.91470	2.2
331.22516	3.8
335.86679	2.9
349.23685	64.1
350.24170	2.4
363.21527	2.5
367.24661	6.9
373.23462	2.4
381.22665	6.2
391.24762	2.1
393.19116	2.3
437.25165	5.0
439.26794	2.6
445.29391	3.8
449.30319	3.0
455.26572	5.2
461.28827	5.0
463.30536	10.6
479.30008	4.7
523.34497	3.2
541.35266	27.9
559.36261	48.1
560.36798	3.1
577.37177	27.1
623.34399	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	740.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.1
53.10441	1.1
55.01858	8.9
55.05502	36.2
57.03424	26.3
57.07058	1.2
58.09989	1.2
58.65052	1.0
59.04715	2.3
59.04992	33.9
61.02932	5.4
65.03924	3.4
67.05492	100.0
69.03413	10.7
69.07055	13.4
69.52894	1.0
69.72552	6.4
71.01337	2.3
71.04983	18.0
73.02898	3.1
76.90409	1.1
77.03912	1.1
79.05015	2.4
79.05479	42.9
81.03403	72.3
81.07042	48.3
81.07758	1.5
83.04960	17.9
83.08601	28.8
85.02889	32.0
85.06522	4.4
87.04453	44.6
91.03940	2.1
91.05462	47.7
92.05806	1.6
93.06433	1.5
93.07026	30.0
95.04953	33.4
95.08593	18.1
96.05305	1.3
97.02881	7.8
97.06533	6.6
97.10151	14.2
99.04440	15.4
99.08072	1.9
103.05478	2.2
105.07005	28.1
107.04920	14.1
107.08575	14.5
109.02888	2.7
109.06518	7.6
109.10136	63.0
111.04405	5.4
111.08058	14.4
113.05973	2.4
115.03965	1.3
115.05437	3.3
117.06997	5.2
119.04910	1.9
119.08566	24.3
121.06480	3.6
121.10111	14.6
121.94454	1.2
123.04385	2.8
123.08050	4.5
123.11678	2.0
125.05949	1.7
125.09617	12.4
127.03860	2.6
129.05440	3.1
129.06992	12.9
131.04890	1.7
131.08549	15.1
133.06490	3.5
133.10110	14.9
135.04405	6.9
135.08060	2.6
135.11682	4.5
137.02322	1.3
137.05997	2.7
137.09590	4.5
142.07776	2.9
145.02818	3.2
145.06520	1.8
145.10065	8.9
146.07304	2.2
147.04373	3.5
147.08023	5.4
147.11646	16.4
149.02304	2.2
149.09569	6.9
153.12688	2.9
155.10654	2.8
157.10086	14.3
161.05910	1.5
161.09589	1.6
163.03879	21.1
163.11099	8.6
165.12761	3.1
167.07057	2.7
169.10081	1.2
171.11656	1.3
173.09497	1.6
173.11729	19.3
175.03885	1.7
175.11140	15.2
181.12230	1.7
189.11209	1.3
191.10687	2.8
193.12213	46.5
196.68286	1.2
199.13269	5.9
209.11713	2.8
211.13263	62.3
217.14302	1.2
217.80077	1.4
223.13268	1.8
227.12788	5.6
227.78006	1.1
229.12016	2.9
229.14305	56.2
235.13347	1.4
241.14355	3.2
249.14839	1.2
265.14523	1.3
267.15872	32.3
283.15335	6.4
285.16922	38.7
286.17389	1.5
301.16452	2.2
311.09082	2.3
313.16415	1.7
315.17914	5.3
315.45334	1.1
325.09314	1.9
383.22162	4.0
387.96201	1.3
401.23318	1.7
409.25729	3.1
421.25726	18.5
427.26910	3.7
439.26855	65.4
440.27145	3.0
449.34485	1.2
457.25531	6.6
463.84634	1.5
475.26901	21.1
493.27780	4.9
525.30682	6.0
543.31439	2.4
578.32513	1.7
741.21515	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	740.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.3
55.01864	9.7
55.05503	46.3
57.03428	26.3
59.04723	2.1
59.04993	35.3
61.02905	5.4
61.30532	1.5
62.09266	1.3
65.03912	5.5
65.98283	1.8
67.05494	100.0
69.03439	8.1
69.07050	13.0
69.43516	14.7
71.01341	2.1
71.04980	15.3
72.32601	1.3
73.02895	3.6
79.05482	47.5
81.03405	79.0
81.07047	44.3
83.01326	1.4
83.04968	25.1
83.08608	35.6
85.02893	31.2
85.06535	6.9
87.03951	2.9
87.04453	44.4
91.03936	1.7
91.05466	53.7
92.05797	1.7
93.07027	30.5
95.04958	32.7
95.08589	20.0
96.79031	1.5
97.02871	9.9
97.06509	7.7
97.10159	20.8
99.04447	19.6
99.08070	2.9
105.04484	1.6
105.06321	2.8
105.07012	28.6
107.04958	16.3
107.08572	18.4
109.02839	2.6
109.06477	7.9
109.10143	63.2
111.04431	9.5
111.08047	16.7
113.06052	1.8
115.05408	2.0
117.06988	7.8
119.04896	3.2
119.08572	30.9
121.06467	5.4
121.10119	14.1
123.04422	3.0
123.08055	5.5
123.11732	1.6
125.09621	17.3
127.03918	2.5
129.05490	2.0
129.06996	15.6
131.04875	3.4
131.08534	15.4
133.06436	3.1
133.10110	16.9
135.04356	6.2
135.08089	1.7
135.11658	5.6
137.05963	1.8
137.09598	6.3
142.07713	1.8
145.06447	2.7
145.10109	7.4
147.04411	1.6
147.08032	6.9
147.11676	17.4
149.09607	11.6
151.03929	1.7
153.12708	5.4
155.08595	2.3
155.10643	5.8
157.10114	17.6
162.28960	1.8
163.03874	5.6
163.11174	11.9
165.06969	3.1
165.12738	3.9
173.09540	3.6
173.10225	1.9
173.11739	22.0
175.03885	2.5
175.11168	17.4
181.12190	3.7
191.10583	5.1
191.55707	1.5
193.12213	63.2
199.13246	11.2
209.11722	5.2
211.13263	86.9
223.13174	2.1
225.14919	1.6
227.12799	10.0
229.14326	74.9
241.14214	3.6
247.13338	2.6
249.14951	2.6
267.15851	45.4
283.15405	11.2
285.16919	50.2
313.16379	2.8
315.17902	8.0
349.23697	1.7
383.22049	5.2
396.14645	1.9
401.22845	3.8
409.25668	5.5
421.25809	27.2
427.27188	7.8
439.26886	95.1
440.27112	2.2
457.25793	8.5
475.26849	27.7
493.27658	5.1
507.29474	2.4
525.30365	6.1
543.30963	2.9
552.97577	1.7
609.87103	1.9
683.92285	1.7
741.20819	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	740.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74138	0.1
55.05503	0.1
56.05029	0.6
57.09538	0.1
58.06617	0.4
59.07387	0.2
60.08153	6.7
63.10571	0.1
65.56754	0.1
67.05493	0.4
69.09941	0.1
70.06567	0.2
70.07680	0.5
71.07361	3.2
79.05486	0.3
80.37888	0.1
81.07045	0.3
86.09693	30.7
87.10018	0.2
88.01928	0.1
91.05470	0.3
93.07021	0.3
95.04930	0.1
95.08617	0.2
97.54807	0.1
98.31546	0.1
98.98450	3.7
104.10724	2.9
105.07040	0.2
107.08573	0.1
114.53284	0.1
116.99496	0.1
119.08548	0.2
124.99982	21.9
131.08444	0.1
133.10028	0.1
143.01019	0.3
166.02635	0.1
184.07315	100.0
185.07687	0.6
231.53235	0.1
381.40347	0.1
464.23917	0.1
516.30878	0.1
604.65906	0.1
722.43744	5.8
723.43683	0.4
772.33112	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	740.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.2
56.05026	0.7
58.06611	0.5
59.07380	0.2
60.08154	6.0
67.05482	0.4
69.07063	0.2
71.07360	3.4
72.50993	0.1
76.63394	0.1
79.05471	0.5
81.07051	0.6
83.04925	0.1
85.06502	0.1
86.09692	32.1
87.10031	0.3
91.05470	0.3
93.07011	0.4
95.04926	0.2
95.08577	0.3
98.98452	3.1
104.10727	3.3
105.07027	0.3
107.04910	0.1
107.08562	0.2
117.06973	0.1
119.08572	0.2
121.10138	0.1
124.99982	20.2
126.00340	0.1
131.08533	0.1
133.10097	0.2
138.88538	0.1
140.94403	0.1
143.01021	0.4
168.09172	0.1
171.05467	0.1
179.14279	0.2
184.07315	100.0
185.07658	1.0
230.05020	0.1
269.17166	0.1
314.03421	0.1
320.29443	0.1
534.32135	0.1
543.36652	0.2
589.28723	0.1
740.44812	6.8
741.45038	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01852	2.6
55.05500	11.4
57.03428	8.8
57.07064	1.0
61.02898	0.9
65.03928	1.1
67.05495	37.9
69.03405	1.2
69.07059	10.1
71.04976	2.2
73.02895	1.3
77.03890	0.7
79.05480	30.4
81.03388	2.1
81.07043	38.1
83.04982	3.3
83.08601	7.4
85.02876	1.3
85.06516	1.2
86.09683	1.4
88.13043	0.5
91.05454	13.7
93.07030	39.4
95.04940	6.3
95.08591	44.6
97.02872	3.2
97.06493	2.7
97.10137	2.0
98.24170	0.6
99.04440	2.5
99.08051	0.9
103.05462	0.9
105.04456	0.7
105.07017	9.7
107.04932	5.7
107.08578	28.8
109.06499	2.6
109.10143	11.5
111.04436	1.1
111.08062	1.4
117.07000	7.6
119.08557	11.1
121.06467	3.0
121.10126	18.0
123.08073	1.7
123.11686	2.4
125.00015	0.7
125.06017	1.5
128.86568	0.6
130.07784	1.3
131.08548	3.9
132.30849	0.6
133.10115	4.9
135.08041	1.8
135.11673	34.8
136.11978	1.0
137.09685	0.7
139.07535	1.3
145.10097	21.3
145.11235	1.4
147.11661	2.5
149.13231	1.9
155.08594	0.6
159.11685	1.2
160.53462	0.6
161.13216	1.5
163.11159	35.8
163.14812	1.4
164.11554	0.7
173.09651	0.7
173.13177	2.1
175.14815	0.7
180.75102	0.6
181.12251	7.3
184.07324	5.2
187.14752	0.9
209.11772	1.0
211.30945	0.6
227.12746	52.2
243.21043	2.1
261.22128	7.0
283.15363	47.8
317.24701	2.1
335.25748	100.0
336.26041	3.5
383.49631	0.7
469.33694	0.8
543.36749	73.7
544.37445	3.5
561.37726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
55.01632	0.7
55.01861	8.0
55.05500	24.4
57.03427	16.3
57.07065	2.9
59.04971	2.7
61.02914	6.9
65.03915	2.6
67.05492	59.2
69.03425	2.9
69.07058	13.1
71.01311	1.7
71.04969	4.5
71.08632	0.8
71.70949	1.0
73.02884	1.5
76.22257	0.7
77.03894	1.3
79.05479	45.4
81.02943	0.7
81.03403	12.5
81.07041	55.2
82.07345	0.8
83.01324	8.6
83.04505	0.8
83.04967	11.7
83.08609	14.7
85.02889	9.8
85.06501	1.8
91.03941	2.7
91.05459	25.9
93.07027	58.6
95.04945	9.1
95.08588	41.2
97.02863	5.8
97.06506	4.5
97.10143	5.2
99.04421	2.6
99.08092	1.3
103.05442	1.0
105.06334	1.1
105.07012	20.5
106.07300	0.6
107.04939	6.9
107.08573	32.1
109.02838	0.6
109.06493	7.8
109.10136	17.4
111.04405	2.0
111.08059	3.1
111.11687	0.7
111.65717	0.7
112.57750	0.5
113.09576	0.9
115.05441	1.1
117.06264	0.9
117.06999	10.9
119.07727	1.2
119.08557	18.6
121.06500	3.9
121.10126	20.7
123.07226	1.0
123.08044	9.5
123.11698	5.8
125.05957	1.4
125.09599	3.5
129.06955	2.6
130.07729	2.2
131.04900	0.7
131.08542	12.9
133.10094	10.5
135.08018	2.2
135.11668	20.9
137.09566	2.0
137.13235	0.9
139.07509	0.8
139.11145	0.9
143.08517	1.6
145.06476	1.2
145.08955	1.1
145.10100	21.3
147.08011	2.5
147.11656	5.1
149.09547	1.3
149.13219	6.9
153.12724	3.8
155.08492	2.0
157.10074	0.9
159.08109	0.6
159.11646	6.0
161.13235	5.1
163.11156	26.0
163.14799	3.2
171.11705	1.0
173.09612	3.5
173.11792	0.8
173.13232	4.9
175.14738	1.6
177.16357	1.1
181.12163	3.4
183.11610	0.7
185.13182	0.7
187.14745	2.9
189.11205	1.7
191.10622	3.1
191.84729	0.6
193.12225	1.4
199.14935	0.8
201.16347	1.6
209.11658	7.3
209.13303	0.9
211.13333	0.9
219.17525	0.7
227.10617	1.2
227.12714	9.9
233.22697	0.8
243.20978	5.5
243.25459	0.5
259.20541	2.1
261.22089	19.1
267.15863	1.2
277.21500	0.9
278.52933	0.6
279.23218	0.9
283.15347	93.1
284.15634	1.2
297.22064	0.6
299.23599	3.5
299.77554	0.7
315.22998	0.6
317.24744	4.2
333.24338	1.1
335.25739	100.0
336.26135	2.0
433.31064	1.4
449.80725	0.6
451.31912	2.4
469.33029	1.8
487.33710	1.3
515.37506	1.2
525.35651	3.9
543.36731	66.6
544.36755	2.8
561.37921	2.3
589.54333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.7
55.01854	3.1
55.05502	14.7
57.03438	13.1
57.07052	3.9
61.02911	2.5
65.03921	2.4
67.05138	2.8
67.05493	51.1
69.03431	2.3
69.07056	16.2
69.68269	3.0
69.68667	9.6
70.46442	1.4
71.04967	4.5
74.03015	1.2
79.05480	44.8
81.03398	4.3
81.07043	46.8
83.04956	5.4
83.08595	12.6
85.02876	3.6
85.06516	1.7
91.05467	20.0
93.07032	62.3
94.07385	1.6
95.04961	10.1
95.08589	62.8
97.02854	5.2
97.06499	4.4
97.10160	3.1
99.04438	3.5
99.08063	1.5
102.53809	1.3
105.07018	14.0
107.04953	9.0
107.08577	38.8
109.06499	3.6
109.07233	1.3
109.10126	16.2
111.04393	2.6
111.08071	2.6
117.06985	13.7
119.08575	15.0
120.08903	1.3
121.06451	4.5
121.10117	23.9
123.08033	2.3
123.11700	3.9
125.05968	2.3
125.09640	2.0
131.08557	6.4
133.10153	7.7
135.08034	2.9
135.11670	57.0
135.44759	1.2
137.13309	2.0
139.07521	2.5
143.08507	1.7
145.10100	33.4
147.11624	3.8
149.13231	4.2
159.11682	2.8
163.11157	63.0
163.14775	2.6
173.13232	3.3
181.12201	10.5
209.11604	2.9
225.91333	1.5
227.12753	86.0
228.12975	1.6
239.82578	1.3
243.20947	3.3
261.22110	8.5
283.15359	100.0
284.15546	2.0
317.24579	3.2
335.25757	99.8
336.25995	3.3
353.01746	1.4
469.32947	1.3
543.36774	87.8
544.37067	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	740.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	3.2
55.01866	6.9
55.05502	18.7
57.03430	14.9
57.07066	1.8
59.04979	2.6
60.08154	1.4
61.02913	5.3
65.03911	2.2
67.05495	42.5
69.03403	2.9
69.07057	10.8
70.10038	0.7
70.28104	1.6
70.28526	2.4
71.04968	3.0
71.07323	0.7
73.02894	2.0
74.58905	0.8
77.03910	1.2
79.05028	1.7
79.05484	38.0
81.03402	10.9
81.07043	48.2
83.01326	6.3
83.04512	1.0
83.04970	12.8
83.08610	13.0
85.02891	7.7
85.06502	1.7
86.09686	7.5
87.10007	1.8
91.03938	1.8
91.05468	23.9
93.07029	48.1
94.07319	0.8
94.64169	0.7
95.04961	8.9
95.08591	33.8
97.02872	3.7
97.06516	5.1
97.07063	0.9
97.10146	4.6
99.04426	2.8
99.08035	1.7
105.04499	0.8
105.07011	17.3
107.04944	7.7
107.08578	24.6
109.06490	7.9
109.10141	14.8
111.04416	2.5
111.08051	2.6
117.07006	10.4
119.08570	14.7
121.06460	2.7
121.10130	19.5
123.08049	6.7
123.11704	5.7
124.99988	5.5
125.05958	1.2
125.09589	3.3
127.03929	0.7
129.06973	3.0
130.07719	2.0
131.08554	9.6
133.09282	0.8
133.10130	7.4
135.08026	2.8
135.11670	17.1
137.09639	1.9
137.13255	1.2
143.08545	2.0
145.06438	0.8
145.10101	18.5
147.07974	1.6
147.11693	5.1
149.09598	1.1
149.13251	4.1
153.12723	3.7
155.08531	1.8
159.11687	5.7
161.13228	3.4
163.09760	1.3
163.11159	22.4
163.14798	3.0
173.09566	3.3
173.11914	1.0
173.13190	4.3
175.14775	1.2
181.12213	3.3
184.05673	1.6
184.07321	24.0
184.70930	0.8
185.07697	5.1
185.13228	1.1
186.07784	2.1
187.14746	2.3
189.11192	2.2
191.10571	3.8
193.12239	1.6
209.11710	6.7
227.12790	11.7
243.21046	4.3
259.20428	1.1
261.22089	13.4
267.15942	1.5
277.21579	0.9
283.15356	100.0
284.15677	2.3
299.23761	2.8
317.24698	2.6
333.24219	1.6
335.25751	72.5
336.26065	2.4
449.03494	0.8
451.31958	2.9
469.32886	2.0
487.33926	0.7
496.16965	0.8
525.35565	3.3
543.36761	40.2
544.36920	2.4
561.38080	1.2
724.49493	0.8
773.88037	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.01862	2.1
55.05502	28.9
57.03419	3.3
57.07064	12.5
67.05495	18.6
69.07054	38.1
69.67390	14.8
71.08631	9.9
79.05484	14.3
81.07041	26.4
81.14288	1.6
83.04937	1.8
83.08604	30.7
85.06475	2.2
85.10160	3.8
87.01604	1.8
91.05466	26.9
93.07027	21.3
95.04939	4.1
95.08581	21.3
95.30420	2.0
97.06472	3.5
97.10155	19.6
97.80856	2.0
98.21381	3.6
98.98448	10.2
105.07013	28.7
107.08573	13.1
109.10132	9.0
111.11694	5.4
117.07007	7.8
119.08550	26.9
121.10122	12.5
123.11690	2.9
129.06979	5.5
131.08549	17.7
133.10107	20.7
135.11668	7.4
137.13210	2.9
143.08543	6.3
145.10034	9.9
147.11673	18.5
149.13242	5.0
155.00914	1.9
155.08524	2.1
157.10164	9.1
159.11673	13.7
161.13185	16.0
163.14688	2.3
169.10127	2.2
171.11691	10.1
173.13254	11.5
175.14792	7.6
183.11664	2.1
185.13252	7.1
187.14804	3.8
197.13216	2.0
199.14720	4.8
213.16161	1.9
215.17955	4.5
217.19522	7.9
231.21024	4.8
239.17917	4.2
241.19441	33.3
243.21202	2.5
257.18863	2.3
259.20590	16.4
273.18140	1.7
291.19608	1.9
297.22287	2.4
311.25757	51.4
313.21664	11.4
313.27188	5.1
315.23166	16.9
331.22470	2.0
333.24258	8.7
365.26682	3.1
415.27823	1.9
477.40527	2.6
495.41318	2.6
507.78458	1.9
569.45599	100.0
570.45862	7.3
629.47827	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	742.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.01870	8.2
55.05506	18.4
57.03437	15.3
59.04996	1.2
60.04509	1.8
61.02913	2.0
65.03941	1.9
67.05497	29.9
68.05824	1.6
69.03426	7.3
69.07060	10.1
69.72362	6.5
69.72779	2.5
70.06586	2.9
71.04985	9.7
77.03938	1.4
79.05019	1.9
79.05482	32.5
81.03407	68.1
81.07043	31.9
81.07439	0.8
82.03739	1.6
83.04970	10.0
83.08608	20.7
85.02901	8.8
85.06529	4.8
91.05469	24.2
93.07030	28.7
95.04961	29.7
95.08582	17.3
97.02879	6.2
97.06540	5.9
97.10158	20.6
98.21339	1.8
99.04433	1.8
99.08086	1.9
103.05449	4.0
105.07018	20.6
106.07330	2.0
107.04947	22.2
107.08591	16.8
108.08945	1.1
109.02863	3.0
109.06503	19.6
109.10129	8.7
111.04420	5.4
111.08058	7.9
115.05450	3.2
117.03342	1.9
117.06984	7.3
119.04962	3.4
119.08568	17.1
121.02869	2.6
121.06490	17.1
121.09335	2.2
121.10131	14.6
123.04433	2.9
123.08042	7.6
125.05995	1.8
125.09618	20.0
127.03915	2.1
129.05489	1.3
129.06987	11.1
130.05006	1.4
131.04915	7.8
131.08551	17.3
133.06511	6.2
133.10126	10.0
133.75510	1.2
135.04385	5.8
135.08029	10.7
135.11693	3.6
137.05965	10.3
137.09584	2.5
139.07512	1.6
139.11191	3.5
141.06946	2.0
142.07831	2.1
143.08537	3.5
145.02809	3.5
145.06453	8.0
145.10106	8.5
146.10579	1.4
147.04388	11.8
147.08018	9.6
147.11655	9.0
149.05965	1.9
149.09615	7.7
151.03912	3.3
151.07593	2.4
153.09102	3.3
153.12732	1.8
155.08521	3.4
157.06424	2.0
157.10120	9.4
159.08046	3.3
159.11624	3.4
161.05927	1.9
161.09560	2.7
163.03859	11.7
163.07520	2.1
163.11169	7.2
164.04131	1.5
165.05550	1.4
165.09145	1.5
165.12721	2.1
167.07028	5.2
167.08443	1.5
167.10611	2.2
169.10156	3.1
171.08087	2.4
171.10216	1.8
171.11626	2.4
173.09644	2.8
173.13248	3.7
175.07526	1.7
175.11183	9.2
175.14827	1.3
177.05414	8.2
177.12732	3.3
181.04994	2.2
184.07346	1.4
185.09540	2.0
185.13205	1.5
187.11128	2.9
189.09210	1.5
189.11201	6.1
189.12714	2.0
191.07018	1.3
191.10637	2.1
191.14293	4.6
193.12212	21.5
193.13921	0.9
195.11592	2.3
196.08487	1.4
197.09584	1.6
199.07481	1.6
199.11151	1.7
205.12062	1.9
207.06535	1.5
208.06151	1.4
209.11652	1.9
211.13258	3.6
215.14246	2.2
217.12123	1.5
219.13773	14.9
223.13138	2.6
227.12669	3.7
231.13612	1.5
233.15363	4.8
237.12740	1.4
255.06610	1.6
255.13841	2.2
257.04361	3.6
259.15469	8.5
267.15875	46.9
273.14597	5.8
286.04272	1.6
291.15677	2.1
293.17493	7.0
301.16510	1.9
339.23083	2.5
349.21573	5.0
357.24170	2.1
361.34769	1.4
367.22684	12.9
385.23611	27.0
386.24124	1.4
403.24738	9.3
441.26440	7.4
451.26746	3.3
459.27390	100.0
460.27682	5.2
477.28418	91.0
478.29025	5.9
491.30585	7.4
495.12851	7.7
495.29587	7.1
501.28381	2.3
526.40936	1.6
567.29828	2.2
661.37372	1.5
675.84637	1.5
742.40546	1.8
743.23846	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	742.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96021	0.1
55.05490	0.1
56.05031	0.7
58.06623	0.4
59.07386	0.3
60.08155	7.0
65.91523	0.1
67.05482	0.4
70.06584	0.1
70.15396	0.5
70.15824	0.2
71.06992	0.2
71.07365	3.4
79.05484	0.3
81.07049	0.3
86.09695	32.3
87.10026	0.2
87.57297	0.1
89.06019	0.2
91.05468	0.3
92.39607	0.1
93.07025	0.3
95.08549	0.2
98.98460	3.0
104.10726	2.6
105.06951	0.1
107.08575	0.2
119.08574	0.1
124.99987	21.2
130.80286	0.1
143.01035	0.2
184.07320	100.0
185.07680	0.8
227.19995	0.5
228.20462	0.2
320.62473	0.1
369.23248	0.1
500.31152	0.2
518.31830	0.1
724.45355	5.6
725.44421	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.0
55.01852	3.1
55.05503	23.7
57.03158	1.4
57.03427	19.4
57.07066	2.5
61.02909	6.6
65.03922	3.6
67.05492	66.2
68.05790	0.9
69.03429	5.5
69.07053	16.6
69.67323	7.9
71.04976	5.9
73.02901	2.4
79.05481	48.4
81.03404	59.0
81.07043	66.9
82.07384	1.4
83.04964	12.8
83.08605	24.1
85.02894	25.1
85.06532	2.7
86.09677	1.7
91.05464	46.3
93.07026	53.7
95.04951	27.8
95.08590	42.2
95.09105	0.6
97.02876	5.4
97.06496	5.5
97.10142	5.8
99.08085	2.5
105.07011	31.7
107.04957	6.2
107.08578	23.5
109.06491	5.3
109.10137	17.4
111.04465	1.6
111.08065	10.4
113.05995	2.6
113.09792	0.9
115.05434	2.4
117.07030	7.5
119.08571	24.8
121.06483	1.5
121.10123	23.3
123.08058	4.0
123.11684	6.5
125.09583	2.0
129.06990	9.4
131.08542	17.7
133.06480	2.5
133.10112	14.7
135.11667	8.7
137.09593	2.2
142.07759	2.1
143.08495	1.2
143.56598	1.0
145.10109	8.7
147.08054	2.3
147.11653	14.2
149.09604	5.5
149.13231	4.7
150.44672	1.0
157.10089	11.5
159.11656	4.7
161.13258	4.2
163.14771	2.0
165.12714	3.8
171.82266	0.9
173.13235	4.2
175.11165	12.8
175.14726	2.1
183.11578	1.2
184.05881	0.9
184.07219	5.1
185.07613	2.4
185.13210	1.1
187.14717	2.4
193.12215	38.1
193.13988	1.9
209.59332	1.0
211.13261	53.4
243.20944	1.7
245.82829	1.0
259.20627	0.9
261.22104	12.7
267.15860	12.0
285.16913	54.2
286.17383	1.2
313.26825	1.1
317.24673	1.8
335.25748	94.4
336.26016	3.6
387.47397	1.1
433.72476	1.2
435.32242	1.3
453.33322	1.9
471.34622	1.5
527.37292	12.8
545.38300	100.0
546.38849	6.1
571.59198	1.2
588.05780	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
55.01863	5.0
55.05239	1.3
55.05505	23.1
57.03434	21.8
57.07079	1.7
61.02924	5.8
65.03941	3.7
67.05499	68.4
67.74538	1.1
69.03424	7.1
69.07066	17.5
70.42919	5.4
71.04994	6.6
71.55408	1.0
73.02902	2.1
79.05489	55.6
80.05823	1.2
81.03409	72.4
81.07048	68.8
82.07374	2.0
83.04974	20.5
83.08610	27.3
83.09074	2.1
85.02895	32.6
85.06539	2.2
91.03972	1.8
91.05470	46.1
91.06044	2.3
91.34045	1.2
93.07035	48.6
95.04958	30.7
95.08600	41.9
95.09093	0.6
97.02901	7.0
97.06525	7.0
97.10158	6.0
99.04538	1.2
99.08126	2.3
103.03943	1.1
105.04509	1.2
105.07023	36.4
107.04936	8.9
107.08576	25.2
107.09241	1.9
109.06502	7.4
109.10157	16.9
110.10482	1.1
111.04439	4.5
111.08075	13.4
113.06008	2.4
115.05471	2.2
117.07029	6.0
119.08572	28.6
121.06519	3.2
121.10139	25.9
123.08064	3.6
123.11703	5.9
125.09642	2.3
129.07001	13.1
131.08549	19.4
131.09471	2.0
133.06500	3.6
133.10117	21.7
135.08022	1.3
135.11671	11.2
137.09637	3.9
137.13246	2.6
142.07814	3.0
145.10147	7.7
147.08049	3.7
147.11693	21.7
149.09608	8.8
149.13264	5.4
157.10124	17.5
159.11665	5.4
161.13277	5.6
163.11238	1.6
163.14780	2.1
165.12776	4.1
173.13287	4.3
175.11159	16.9
175.14828	1.5
177.16386	1.4
178.62518	1.1
187.14870	2.0
188.77885	1.1
193.12228	59.6
207.94017	1.2
211.13278	89.4
212.13744	2.0
221.13234	1.1
227.12779	1.5
237.51260	1.2
243.21153	2.8
261.22110	14.5
267.15900	19.4
285.16937	92.1
286.17258	1.9
301.25223	1.3
317.24609	2.9
335.25775	89.5
336.26166	4.1
402.98154	1.1
435.32526	2.6
452.63516	1.2
527.37323	13.3
528.37140	1.6
545.38342	100.0
546.38959	7.5
589.66455	1.3
735.97327	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68800	1.0
53.03939	1.1
54.00380	0.9
55.05499	1.8
55.05912	1.1
57.03428	2.2
61.02926	6.9
67.05495	6.4
69.03420	4.1
69.07059	1.5
69.68766	8.7
71.08639	0.9
73.02904	3.7
79.05481	6.5
81.03396	2.2
81.07050	9.8
83.04966	1.2
83.08588	0.9
85.02881	7.2
91.03941	3.6
91.05477	4.2
93.07037	7.5
95.04968	2.4
95.08625	7.1
97.02898	4.3
98.20737	1.9
99.99323	1.0
101.02375	1.7
105.07048	3.2
107.08594	3.3
109.02898	1.4
109.10123	2.3
119.08586	1.7
121.10136	1.5
133.10104	1.6
135.11691	1.9
140.69827	1.1
147.11707	1.8
170.18193	1.0
243.08395	2.4
243.56433	1.0
247.12949	2.1
465.20898	5.6
513.35413	1.2
519.28992	7.0
537.94794	1.1
545.38361	2.6
698.16339	1.2
715.75574	1.1
743.43280	100.0
744.43317	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	744.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.3
55.01873	1.5
55.05238	1.0
55.05503	14.6
57.03432	8.8
57.07059	1.9
58.02980	0.9
59.04986	1.6
61.02906	3.2
65.03924	3.9
67.05496	74.2
69.03421	1.8
69.07062	14.0
71.04982	19.2
71.17361	2.6
73.02872	1.1
79.05482	30.6
81.03397	3.5
81.07044	36.3
83.04977	4.6
83.08618	8.2
85.02889	3.8
85.06531	2.4
86.09679	0.9
91.04926	1.5
91.05470	22.0
93.07030	36.8
94.07326	1.0
95.04972	4.9
95.08591	26.7
97.02892	1.6
97.06513	4.2
97.10165	2.5
105.07011	11.5
107.08576	18.7
109.06507	1.5
109.10142	51.7
111.08070	3.0
117.07008	3.9
119.08573	12.4
119.17014	1.1
121.10130	13.4
123.08066	1.7
123.11681	3.1
125.09572	1.6
131.08533	6.4
133.10127	5.4
134.43260	1.0
135.11667	12.0
137.09576	7.1
143.08505	1.1
143.52126	0.8
145.10126	6.2
147.11630	5.6
149.13222	2.5
155.10686	2.7
155.26678	1.0
159.11685	3.9
161.13245	2.4
163.11157	3.5
173.11722	6.7
173.13240	2.7
181.12088	1.4
184.07312	2.2
193.12231	1.2
211.13271	3.5
213.14743	1.2
227.12796	1.6
243.15919	1.6
255.15825	5.7
258.03833	1.0
259.41656	1.0
261.22092	2.8
283.15375	2.1
285.16934	3.4
287.18466	15.2
297.21988	0.9
317.24738	1.2
335.25757	26.3
337.27277	3.5
360.55319	0.9
397.30942	1.5
471.34457	2.7
489.35709	100.0
490.36063	3.7
503.37216	2.6
515.37231	12.3
547.39862	81.9
548.32068	1.0
548.40088	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	744.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28119	1.3
53.03943	3.2
55.01853	5.4
55.05503	24.8
57.03417	12.0
57.07055	6.9
59.04994	2.2
59.06121	2.7
61.02913	4.9
67.05494	21.6
69.03399	2.1
69.07056	27.1
70.19992	5.3
70.20405	2.7
71.04972	2.8
71.08599	2.3
73.02916	1.6
79.05476	16.7
79.23813	1.6
80.45320	1.6
81.03419	8.4
81.07049	24.8
83.01333	6.6
83.04965	7.5
83.08598	21.7
84.33567	1.7
85.02887	5.8
91.05473	10.8
93.07029	19.1
95.04942	5.5
95.08585	20.1
97.02868	3.1
97.06497	5.1
97.10162	8.2
99.04440	2.8
101.07171	2.1
105.06999	5.9
105.09451	1.6
107.04939	6.4
107.08572	9.8
109.06512	4.9
109.10148	9.5
111.11707	2.2
117.06999	3.9
119.08554	6.1
121.06413	1.5
121.10109	7.1
123.08051	2.7
135.11678	11.0
145.10103	7.3
153.12698	2.3
163.11154	16.8
173.09740	1.9
184.07320	1.5
191.10765	1.8
206.76361	1.8
209.11688	3.6
227.12820	3.8
258.44232	1.7
265.25494	2.4
283.15366	100.0
284.15839	2.0
339.28891	74.6
422.80286	1.8
547.39935	46.9
548.40735	2.8
685.31177	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.05507	1.7
57.03424	2.3
61.02915	6.7
67.05495	7.5
69.03422	4.0
69.07066	1.9
70.89507	0.8
70.89853	1.8
73.02905	4.5
79.05475	4.3
81.03423	2.6
81.07037	5.8
83.08607	1.6
85.02897	4.8
87.04457	0.7
91.03933	3.9
91.05482	2.3
93.07018	5.6
95.04962	1.5
95.08585	4.9
97.02871	6.1
99.04453	1.6
101.02377	1.7
104.21540	0.6
105.07008	1.1
107.08598	2.6
109.02914	1.0
109.10164	1.6
117.06987	0.8
119.08567	1.7
121.10157	2.1
127.03904	1.4
131.08519	0.9
133.10172	0.9
135.11691	1.3
145.10100	1.6
147.11674	0.8
159.11697	1.0
163.11176	1.1
163.86206	0.6
243.08450	1.9
429.22769	0.7
467.18823	3.5
519.29230	12.5
745.41205	100.0
746.41656	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	746.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47302	0.1
55.05485	0.2
56.05027	0.5
57.03405	0.2
58.06607	0.4
60.08155	6.4
67.05489	0.5
69.07050	0.3
69.56570	1.6
70.06578	0.2
71.04975	0.2
71.07363	3.4
77.79801	0.1
79.05478	0.4
81.03385	0.2
81.07052	0.7
83.08601	0.2
85.02882	0.2
86.09692	31.9
87.09998	0.2
91.05465	0.7
93.07033	0.5
95.04921	0.3
95.08581	0.5
96.37353	0.2
98.98451	2.9
104.10729	2.8
105.07037	0.4
107.08575	0.2
109.10142	0.3
117.07053	0.3
124.99984	21.1
126.00349	0.2
129.06947	0.2
143.01044	0.4
184.07315	100.0
184.53995	0.2
185.07686	1.2
185.09172	0.2
195.01643	0.2
203.07712	0.2
282.82794	0.2
343.90137	0.2
347.26166	0.2
467.21353	0.2
620.38550	0.2
728.44751	7.6
729.44623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29808	0.1
55.05489	0.2
55.33339	0.1
56.05017	0.7
57.39219	0.1
58.06622	0.5
60.08157	6.2
60.51387	0.1
67.05499	0.7
69.07071	0.3
71.05001	0.1
71.07361	3.3
77.83678	0.1
78.23206	0.1
79.05475	0.6
81.03400	0.2
81.07066	0.5
83.08638	0.2
84.51425	0.1
85.02889	0.2
86.09694	30.8
87.10022	0.3
91.05436	0.6
93.07028	0.5
95.04993	0.2
95.08578	0.2
98.98448	3.4
98.99074	0.2
104.10725	2.3
105.07006	0.3
107.08596	0.4
109.10135	0.2
119.08530	0.1
124.99985	20.7
125.56392	0.1
126.00319	0.1
131.08510	0.2
143.01021	0.4
168.75702	0.1
184.07317	100.0
185.07669	1.1
229.40672	0.1
236.69028	0.1
239.16315	0.1
275.19986	0.2
468.23340	0.2
525.91064	0.1
712.00354	0.1
728.44800	6.6
729.44641	0.4
769.42773	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	747.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83715	0.3
57.71479	0.4
66.45557	0.4
69.82712	2.8
98.21430	0.7
117.26303	0.4
220.49438	0.4
223.18932	0.4
368.34589	0.5
412.53055	0.4
477.13660	0.4
512.61725	0.5
687.20508	0.6
747.23071	100.0
748.23328	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	749.413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.4
55.01862	5.1
55.05505	21.8
57.03424	16.3
57.06794	3.2
57.07066	48.3
65.15005	2.3
67.05489	41.4
68.09719	2.7
69.03423	7.5
69.07054	17.4
71.04967	2.8
71.08623	35.8
71.71441	3.2
73.02914	3.8
79.05481	28.2
81.03407	97.5
81.07044	49.4
83.04962	17.5
83.08162	3.8
83.08613	30.9
85.02888	14.5
85.10159	18.6
91.05463	31.0
93.07024	15.8
94.04164	3.1
95.04960	31.3
95.08593	37.8
97.02898	6.8
97.06506	5.8
97.10155	11.9
99.04430	4.2
102.10839	2.4
105.07021	24.5
107.04942	8.2
107.08578	13.4
109.02858	15.1
109.06513	3.3
109.10137	20.2
110.03682	5.3
111.04436	11.1
111.08074	12.4
115.05441	3.8
117.07006	6.7
119.08566	24.1
121.06472	4.9
121.10145	12.3
123.11703	4.7
127.03901	5.9
129.07004	12.3
131.08551	14.7
133.10106	8.7
135.11649	4.1
145.10077	6.7
147.08061	4.8
147.11665	16.6
149.09584	8.9
157.10092	14.9
159.11633	7.0
163.11163	3.3
165.12746	4.8
175.00641	6.8
175.11137	16.7
181.12209	3.5
184.07384	3.1
191.00056	6.1
191.10710	4.1
193.12215	43.4
211.13277	49.6
227.12753	6.8
235.13353	3.2
239.23711	10.2
249.14810	3.5
255.96324	2.7
257.18945	6.0
257.24622	2.8
267.15854	61.4
275.20084	8.9
285.16919	11.1
313.27322	100.0
335.92731	2.7
493.17233	19.3
505.38846	44.8
507.39716	3.3
523.39960	53.1
533.06177	2.7
539.28766	6.0
547.40002	4.8
587.46399	11.1
629.49536	3.1
679.40863	3.2
731.51715	3.2
749.41101	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	751.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01855	0.9
57.03421	1.9
67.05494	1.5
69.03413	3.6
70.06593	1.6
71.04996	5.6
71.70203	1.9
79.05467	2.1
81.03408	4.2
81.07063	1.8
83.04971	1.7
83.08562	1.0
85.02893	10.8
89.03918	3.1
90.95412	1.0
91.05479	4.0
93.07027	1.4
94.91360	1.0
95.04968	2.0
97.02877	8.2
97.06504	1.9
98.07199	1.8
98.08962	1.0
99.04437	1.5
99.05569	2.7
105.07014	1.5
107.04945	2.9
107.08557	1.1
111.04446	1.4
117.03361	4.7
117.06950	1.0
119.08596	2.4
121.02883	1.2
121.10130	1.7
123.04428	2.8
123.08093	1.4
124.63160	0.9
125.06010	1.7
127.03893	2.2
129.05521	1.6
133.06448	1.7
133.10181	1.4
135.04401	11.1
137.05957	2.9
137.84190	1.0
143.38286	1.0
145.02820	13.0
145.10075	1.7
147.04413	3.0
149.05981	1.6
151.03873	1.8
153.05447	73.4
154.05833	1.6
159.08104	1.1
163.03885	100.0
164.04179	4.8
165.05443	1.4
166.06190	1.5
167.07043	3.2
173.09555	1.2
173.48032	1.2
177.05453	7.8
181.04955	2.8
183.06534	5.5
184.07286	65.6
201.09041	1.5
215.10527	1.0
219.10147	3.0
226.69542	1.0
245.11581	1.1
262.14490	1.2
263.12683	5.7
280.15375	2.9
281.15884	2.4
283.05875	2.4
325.09134	19.5
326.09503	1.9
414.69888	1.2
508.15582	9.1
605.22656	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33538	0.9
53.03930	1.2
57.03411	1.6
67.05482	1.4
69.03403	4.3
69.63291	2.6
69.63694	5.9
71.04975	6.2
78.33325	1.0
81.03410	2.7
81.07031	1.7
81.83261	1.1
83.95235	1.0
85.02901	8.8
88.45583	1.1
89.03891	3.4
91.05492	1.6
95.04926	2.1
96.85300	1.0
97.02882	7.8
97.06516	2.5
98.07181	1.1
99.04411	1.6
99.05513	1.2
105.06992	1.2
107.04934	2.3
107.08582	1.7
111.04420	2.6
117.03354	4.2
119.04934	1.4
121.06499	1.4
121.10154	1.2
123.04368	3.5
125.05978	2.6
127.03900	1.7
133.06517	2.2
133.10033	1.1
135.04381	8.7
135.72119	1.0
137.05933	1.8
145.02783	8.9
147.04388	2.2
153.05446	70.5
154.05798	2.5
163.03883	100.0
164.04271	2.3
167.06992	4.4
177.05431	4.4
179.07072	1.2
181.04901	3.8
183.06511	8.4
184.07288	72.3
185.07651	2.1
187.07521	1.5
205.08372	2.0
217.12300	1.1
219.10155	2.9
245.11652	2.4
263.12671	6.7
280.15524	2.6
281.15915	1.4
324.02802	1.0
325.09140	20.2
508.15659	10.2
763.76862	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	8.9
55.01864	11.0
55.05235	3.0
55.05500	53.1
57.03415	10.8
57.07060	4.3
61.02896	3.2
65.03924	6.2
67.05142	5.3
67.05495	100.0
68.05856	2.5
69.03414	24.7
69.07059	38.8
71.04954	8.2
71.71716	3.5
73.02914	2.1
73.30450	2.2
77.03912	2.2
79.05016	4.9
79.05478	96.6
80.05782	2.2
81.02931	4.3
81.03400	52.7
81.07040	90.0
83.04968	21.3
83.08610	26.6
85.02883	17.8
85.06512	6.6
91.05460	85.0
92.05755	2.2
93.07027	86.6
95.04950	55.7
95.08588	50.6
97.02891	17.6
97.06527	13.2
97.10150	24.0
99.04429	2.5
103.05448	4.3
105.04535	3.3
105.06328	4.5
105.07010	70.2
107.04941	17.9
107.08568	41.6
109.02835	9.4
109.06514	12.4
109.10126	22.1
111.04419	8.6
111.08039	8.0
115.05421	6.3
117.07014	29.4
119.04937	3.1
119.08564	48.6
121.06503	13.3
121.10120	17.4
123.04421	4.4
123.08052	33.2
123.11700	7.4
125.09573	15.3
127.03887	7.5
127.07603	2.4
128.06209	6.4
129.06982	30.2
130.07642	2.5
131.04921	4.2
131.08556	28.1
132.05725	2.8
133.06470	11.0
133.10112	27.4
135.08009	8.4
135.11673	8.6
137.09576	6.1
141.06944	7.4
142.07721	2.9
143.08524	23.6
145.06459	5.4
145.10107	27.0
147.08028	17.8
147.11647	32.7
149.09586	7.7
149.13152	2.9
151.11081	2.4
153.06927	3.2
155.08499	11.6
156.09218	3.5
157.10110	17.0
159.08040	5.2
159.11646	12.3
161.09587	9.4
161.13235	13.1
163.11133	10.1
165.06992	4.0
165.09055	8.8
165.12700	3.0
167.08542	5.3
169.10088	10.1
169.12155	5.2
170.07306	2.4
171.08035	6.3
171.10316	4.0
171.11671	29.1
173.04520	2.6
173.09654	3.7
173.13269	5.7
175.11110	8.4
177.12730	3.3
179.08536	3.6
179.14342	4.6
181.10060	5.6
181.12325	2.6
183.11635	9.4
185.09581	4.2
185.13194	7.9
187.11183	4.8
187.13243	9.2
187.14780	3.7
189.11143	9.7
189.12740	10.6
193.10455	2.8
193.12183	13.0
195.11667	5.8
197.13260	4.4
199.14851	2.8
205.10068	3.4
205.12076	4.6
207.11865	4.4
207.13742	29.7
209.13278	3.8
211.11487	2.8
211.13181	12.7
213.12741	4.4
213.16388	2.9
223.11360	3.2
223.13104	14.1
225.14703	4.5
227.12675	17.8
233.15317	2.7
235.14890	2.7
237.16415	3.8
245.13658	3.3
249.14682	4.3
255.17372	3.2
267.15845	10.4
269.15173	3.6
273.18488	32.5
275.19995	5.8
281.17432	63.4
284.21298	2.2
285.16977	4.5
287.16379	6.7
291.19495	80.9
292.19885	4.5
300.41647	2.7
305.17514	3.7
305.68558	2.6
321.22116	3.1
327.23380	2.9
347.22125	6.7
347.97336	2.4
349.23877	3.3
365.23291	33.8
367.22498	3.9
383.24130	3.9
385.22772	2.7
406.68192	2.3
451.26437	3.1
467.20676	2.7
473.29022	21.9
491.29752	6.7
553.34521	6.7
571.36200	65.7
572.36591	6.5
589.37152	5.5
715.44263	7.6
733.45374	7.6
751.33289	3.8
751.46887	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	751.5337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.7
55.01844	2.6
55.05505	14.4
57.03422	11.6
57.06803	2.0
57.07068	35.5
57.32161	1.9
57.61214	1.7
61.02908	7.9
65.03959	2.0
67.05493	37.3
69.03406	2.2
69.07054	17.2
69.50309	15.8
71.04955	4.0
71.08620	25.3
73.02876	2.7
74.09711	1.8
79.05477	30.7
81.03405	4.6
81.07038	38.7
83.04942	2.1
83.08607	15.9
83.27689	2.2
85.02882	6.9
85.06524	2.5
85.10160	12.3
87.04452	2.1
91.05464	36.9
93.07024	35.4
94.07325	2.0
95.04951	5.7
95.08589	37.7
97.02865	5.2
97.06522	3.6
97.10150	5.8
105.07012	45.3
107.08577	20.4
109.06497	5.1
109.10136	19.3
115.05414	2.7
117.07014	12.5
119.08566	36.2
121.10121	14.0
123.08044	2.5
123.11662	5.6
128.06268	2.1
129.06970	10.0
130.07751	2.1
131.04900	1.9
131.08545	20.7
133.10101	28.6
135.08018	2.5
135.11667	13.6
141.06993	2.4
142.07764	2.0
143.08528	6.8
145.10091	20.7
146.10785	2.1
146.97662	2.0
147.11670	32.5
149.09630	2.0
149.13237	9.9
155.08507	3.9
156.09219	1.8
157.10106	11.2
159.11668	17.6
161.13242	26.2
163.11118	2.1
163.14796	2.5
167.08615	2.0
169.10121	5.2
171.11630	11.6
173.13266	13.4
175.14798	11.1
181.10013	2.6
183.11646	4.3
185.13271	12.4
187.14775	5.4
197.13292	2.2
199.14827	6.6
201.16522	3.3
213.16309	3.5
223.14771	2.2
231.21097	5.0
239.23607	4.2
241.19473	33.4
257.18933	3.9
259.20538	77.1
261.22501	2.4
271.20474	2.3
273.22086	2.1
301.21732	2.5
313.27307	100.0
314.27670	4.0
315.23099	3.7
319.22308	2.2
333.24185	39.2
343.22485	2.6
349.21539	4.2
367.22604	8.9
385.23599	6.3
403.24753	3.2
421.25436	3.5
441.26111	3.1
545.97095	2.1
571.46997	12.1
587.46234	2.7
589.48120	33.4
601.47900	5.1
613.48108	3.7
673.51874	2.2
679.49084	4.2
697.50055	5.5
715.51080	3.2
733.52173	2.8
774.75867	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.2
55.01864	10.3
55.05503	9.0
57.03423	1.7
63.02710	1.0
65.03922	1.4
67.05494	21.6
69.03438	1.2
69.07055	13.0
70.96938	2.6
71.04971	1.7
79.05482	26.2
81.03404	5.5
81.07040	27.4
83.04975	5.2
83.08616	3.8
85.06523	1.9
91.05465	28.5
93.07027	25.8
95.01302	2.7
95.04947	10.4
95.08588	15.2
97.06513	21.6
105.07011	33.2
107.04942	8.6
107.08577	9.3
109.06512	2.8
109.10126	3.5
111.08073	1.1
117.07000	7.2
119.08553	20.1
121.06456	1.8
121.10125	3.7
123.08028	3.2
123.11680	1.0
129.06985	5.4
131.08537	8.7
133.10098	17.7
133.17279	0.9
135.07999	1.5
135.11678	3.0
137.09592	1.3
138.40385	0.9
143.08536	3.4
145.10127	8.1
147.08046	1.0
147.11671	15.3
149.09607	4.1
149.13179	1.3
155.08452	1.1
157.10165	1.6
159.11703	4.1
161.09587	2.2
161.13234	6.1
163.11162	2.8
169.10016	1.0
171.11659	6.6
173.13245	1.5
177.12717	1.8
179.14297	5.2
187.11063	1.9
189.12737	2.2
204.13022	0.9
207.13741	6.4
225.74527	0.9
247.20514	1.0
257.18982	2.7
259.20563	1.2
275.20007	45.9
276.20404	1.5
279.15823	2.8
281.17435	33.3
293.21033	4.7
299.83765	0.9
349.23721	17.5
513.25616	0.9
526.08136	1.0
555.36719	100.0
556.36951	4.3
573.37787	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.05498	6.1
57.03433	12.9
57.07070	31.0
57.94192	1.4
58.37925	1.5
64.25491	1.3
67.05499	15.0
69.07059	9.5
69.93036	9.8
71.04986	1.7
71.08630	18.6
75.51645	1.5
76.21308	1.5
79.05484	8.9
81.02944	3.7
81.03410	56.5
81.07044	17.6
83.04979	3.2
83.08614	21.3
85.10178	12.3
91.05461	11.0
93.07024	6.8
95.04967	15.7
95.08598	16.3
97.10159	5.3
105.07008	8.9
107.04948	5.1
107.08596	2.4
109.06505	1.7
109.10149	7.7
111.08087	4.3
117.06953	2.1
119.08562	10.0
121.06490	2.1
121.10136	6.0
123.11713	3.8
129.06998	6.5
131.08519	5.3
133.06505	2.1
133.10132	3.1
147.11678	5.0
149.09605	4.8
157.10106	5.7
163.11243	1.7
165.12706	1.5
175.11102	5.3
193.12225	24.2
203.87650	1.6
219.27338	1.5
249.14842	2.0
267.15881	92.9
268.16263	2.8
310.09674	1.5
313.27319	100.0
314.27573	2.4
437.29376	1.5
445.33102	1.6
505.38834	81.0
506.38995	2.1
547.39496	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	753.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.5
55.01867	13.1
55.05503	33.2
57.03437	16.6
57.07061	4.2
59.04987	4.7
65.03923	4.0
67.05497	81.1
69.03421	23.6
69.07048	11.5
71.01324	5.0
71.04977	9.5
71.31599	1.9
71.31924	2.8
73.02901	3.8
79.05480	36.6
81.03408	100.0
81.07047	44.3
83.01338	2.5
83.04968	21.4
83.08610	28.8
85.02392	2.0
85.02894	31.9
85.06520	6.1
87.04445	2.2
91.05467	37.6
93.07033	28.0
95.04958	31.6
95.08604	21.7
97.02325	1.8
97.02888	19.9
97.06509	8.5
97.10152	14.7
99.04440	4.2
101.02350	2.8
103.03916	2.0
105.07028	22.6
107.04942	12.8
107.08578	15.6
109.02869	17.6
109.06505	7.6
109.10146	47.4
111.04429	10.5
111.08080	8.5
113.06036	2.1
117.07012	8.7
119.04947	3.3
119.08567	23.6
121.06482	4.7
121.10098	9.1
123.04420	4.2
123.08055	4.5
125.05938	2.4
125.09626	14.0
127.03889	10.6
127.11263	1.9
128.06268	1.7
129.05499	2.3
129.06987	11.5
131.04892	2.2
131.08524	12.7
133.06480	4.3
133.10112	12.0
135.08015	3.5
135.11646	6.0
137.05978	1.8
137.09593	3.5
139.03786	1.9
141.07001	2.0
142.07732	2.3
143.08546	2.7
143.10568	1.7
145.06479	3.1
145.10100	7.0
147.04431	2.0
147.08046	5.4
147.11673	14.1
149.05965	2.3
149.09602	5.8
151.03880	1.6
153.12726	4.8
155.10693	1.7
157.04985	3.2
157.10138	9.7
157.88142	1.5
159.07988	2.0
159.11635	2.9
161.05994	2.1
161.09665	2.3
161.13356	1.8
163.11143	8.1
165.12709	4.8
171.11662	3.0
173.04449	14.3
173.09589	2.0
173.11723	12.6
173.13129	2.3
175.11148	10.4
181.12233	3.3
183.06613	3.0
184.07303	4.2
189.11217	3.2
189.12743	2.4
191.10674	4.4
193.12238	37.0
199.13211	3.6
209.11746	4.6
211.05867	1.8
211.13260	35.4
217.12317	1.9
227.12781	8.7
229.14316	17.4
235.13234	3.7
249.14882	1.8
259.51083	1.4
267.15860	17.4
269.12207	3.5
273.18945	1.7
283.15454	2.8
285.16940	4.6
309.17078	5.5
337.16241	2.0
355.17770	2.0
367.17255	1.9
393.60455	1.7
411.20389	2.2
421.25830	3.4
439.21063	1.8
439.26926	34.9
493.27899	3.5
603.00116	1.8
637.31708	2.1
674.25433	2.0
753.40472	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	753.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.9
53.96768	2.6
55.01854	5.4
55.05502	17.5
57.03423	7.1
58.73580	2.9
65.03917	2.7
67.05500	22.2
69.03423	22.8
69.07061	19.6
71.04976	11.2
71.71229	4.7
73.02905	3.8
74.19711	2.6
79.05487	19.1
81.03400	21.6
81.06602	4.1
81.07045	48.6
83.04975	48.6
83.08614	12.3
85.02898	59.9
85.06537	7.9
87.00819	13.6
87.38759	2.7
91.05455	24.8
93.07036	49.0
95.04971	16.4
95.08594	58.4
97.02897	21.1
97.06515	7.3
97.10146	5.3
99.04442	9.0
101.97910	3.2
105.01842	17.7
105.06339	3.9
105.07023	64.8
107.04972	5.2
107.08577	64.5
109.02858	17.2
109.06496	12.7
109.10141	35.7
111.04427	5.7
111.08061	8.7
117.07003	9.1
119.08570	84.8
121.06513	7.1
121.10129	36.6
123.08064	10.1
123.11675	13.4
125.09637	16.8
127.03899	29.1
128.06287	4.2
129.05420	4.0
129.06993	5.2
131.04901	6.1
131.08557	36.4
133.10114	63.2
135.04393	6.7
135.08057	5.5
135.11674	19.3
137.05971	12.9
137.09584	4.8
137.13263	4.7
140.19730	2.9
142.07817	5.4
143.08542	17.1
145.02832	6.0
145.04948	6.5
145.10110	65.5
147.04425	10.4
147.08054	3.5
147.11658	38.0
149.09605	4.9
149.13277	21.5
151.11160	4.3
155.08522	5.9
156.09381	4.2
157.10153	21.2
159.11685	46.0
161.09637	6.8
161.13231	38.2
163.03867	28.5
163.07463	4.8
163.11137	6.7
163.14752	17.4
164.04205	5.1
165.12749	4.9
166.08511	3.0
170.10841	3.3
171.11697	18.1
173.05952	3.2
173.13243	41.1
175.07536	3.7
175.11188	6.8
175.14812	38.1
177.05466	9.6
177.12633	4.8
177.16406	18.4
183.11650	4.7
185.13254	34.4
187.14799	60.2
187.16364	5.1
189.09148	3.9
189.12653	3.7
189.16360	29.6
191.14261	19.0
191.17935	11.3
197.13260	9.3
199.14819	28.5
201.12639	4.9
201.16371	75.6
203.14308	15.6
203.17938	33.8
205.15877	33.5
207.13809	3.7
211.14796	7.0
213.16394	19.7
215.17987	12.9
217.15887	19.2
219.17422	13.1
221.15417	15.4
227.17929	6.0
229.15926	4.7
229.19441	5.0
231.04994	4.8
231.17409	6.0
235.16934	4.4
239.17883	5.9
241.19469	4.0
245.15369	5.1
247.16936	32.5
249.14845	8.1
253.19698	4.5
259.16904	3.6
285.18631	3.3
325.09067	3.9
347.27075	4.0
369.27917	4.8
375.55588	3.2
377.32117	3.1
387.29666	8.5
389.31863	3.2
393.27505	4.8
395.33032	4.2
405.31458	30.3
407.33121	13.8
411.28806	8.9
421.31076	4.1
423.32571	37.6
425.34116	6.0
433.31189	14.8
439.31976	5.5
441.33969	13.7
451.31995	52.0
469.33087	100.0
470.33417	4.1
487.33990	8.5
543.38165	3.6
736.43439	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	754.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
53.12468	0.3
53.67430	0.3
55.01864	0.7
55.05500	7.2
57.03433	2.3
59.04988	0.4
61.02910	0.8
65.03932	0.8
67.05492	4.7
69.03415	1.2
69.07054	1.3
70.06580	0.4
71.01334	0.5
71.04979	0.7
71.70786	0.4
71.71172	0.3
71.82504	0.3
79.05476	1.9
81.03394	4.2
81.07044	2.0
83.04965	47.8
83.08588	0.8
84.05259	0.4
84.08910	0.3
85.02888	98.5
86.03241	0.6
87.04452	1.1
89.03901	0.9
90.47282	0.3
91.05466	2.3
93.07043	1.9
95.04959	1.8
95.08579	1.2
97.02867	1.0
97.06538	0.7
97.10152	0.5
99.04458	0.5
101.06001	0.4
105.06988	1.6
107.04928	0.9
107.08573	1.6
109.02866	0.6
109.10138	1.1
111.04420	27.1
111.08068	0.4
117.03358	1.8
117.07025	0.9
119.08566	1.7
121.06478	0.4
121.10118	0.7
123.08048	0.7
125.09548	0.4
127.03889	6.8
129.05453	14.3
129.06987	0.9
131.08562	0.7
133.10083	0.8
135.04379	0.8
135.11664	0.6
137.06041	0.5
145.02824	6.7
145.10048	0.6
147.04387	0.5
147.07970	0.4
147.11653	0.8
149.05933	0.9
149.09624	0.6
151.07501	0.7
153.05380	0.5
157.10072	0.6
161.09479	0.3
163.03893	1.6
163.11162	0.8
171.06491	100.0
172.06821	1.5
173.09529	0.5
175.11041	0.4
177.05434	20.6
178.05713	0.5
193.12163	1.1
203.17912	0.5
205.15768	0.6
211.13184	1.2
219.13470	0.3
223.13219	0.3
231.08592	10.8
262.93039	0.4
267.15829	2.3
268.16052	0.6
283.15430	0.7
285.16739	0.9
314.93915	0.4
315.17810	0.4
324.22849	0.4
339.10693	4.2
457.25629	1.1
475.26776	2.4
493.27496	1.5
507.29449	0.9
541.35034	0.4
569.17841	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
55.01868	8.1
55.05271	1.0
55.05503	11.2
57.03418	3.2
57.07061	1.5
58.27374	0.8
59.04974	1.2
65.03905	1.7
67.05499	17.1
69.07057	12.3
69.67485	6.1
71.04968	2.6
71.35547	0.9
79.05481	17.4
81.03415	7.6
81.07042	26.9
83.01308	1.8
83.04962	6.4
83.08617	6.3
85.02869	1.8
85.06520	1.6
87.04449	1.8
89.06006	5.5
91.05469	28.7
91.06039	1.6
93.07029	20.9
95.01340	4.9
95.04945	7.2
95.08588	16.2
97.06518	10.3
97.10149	2.1
98.21500	1.9
99.04411	1.1
103.05400	0.9
105.07014	40.2
107.04945	9.0
107.08581	9.8
109.06510	4.1
109.10133	4.5
111.04413	1.6
111.08060	1.4
115.05443	1.0
117.06998	9.9
119.07728	1.4
119.08562	21.2
121.06493	2.1
121.10107	6.3
123.08036	3.9
125.09611	1.6
129.06987	2.1
131.08557	10.7
133.08554	2.6
133.09108	1.1
133.10101	21.4
135.08000	3.5
135.11671	6.7
139.07466	1.0
141.07013	0.9
143.08556	2.2
145.06499	1.3
145.10112	10.6
147.07997	1.1
147.11662	7.6
149.09618	2.9
149.13245	1.6
151.11107	1.6
157.10152	0.9
159.11636	5.0
161.13260	2.3
163.11151	8.3
165.09030	1.5
171.11653	1.1
173.09685	1.2
173.13271	1.2
177.11221	1.2
177.12646	1.8
179.14273	6.2
181.12227	1.0
183.11719	1.2
184.07312	3.1
187.11119	1.0
209.11803	1.2
227.12733	1.3
227.20042	11.0
257.18903	2.5
267.15961	1.0
275.20026	36.4
279.15646	0.9
283.15338	21.0
293.20819	2.2
321.21051	1.0
349.23724	13.3
352.98853	1.0
516.75867	1.0
539.33429	3.0
557.34662	100.0
558.35046	4.5
575.34967	1.7
584.27618	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.6
55.01870	4.6
55.05501	24.8
57.03429	12.1
57.07058	4.6
65.03931	4.5
67.05494	72.5
69.07061	15.3
70.69357	8.2
71.04998	5.4
76.15417	2.2
79.05481	91.7
81.03394	7.0
81.07043	66.7
83.04973	12.3
83.08613	10.5
85.06528	6.8
86.09684	2.5
91.05466	85.6
92.05765	3.6
93.07028	100.0
94.07363	2.4
95.04953	26.6
95.08593	41.3
97.02870	3.3
97.06501	6.5
97.10151	5.6
99.08073	3.4
105.04518	2.8
105.07016	90.0
105.07721	5.4
107.04938	10.0
107.08574	36.0
109.06512	7.4
109.10151	13.4
111.08098	2.8
115.05443	3.7
117.07011	23.0
119.08559	61.3
121.06466	4.9
121.10119	19.4
123.08063	7.1
125.09650	3.6
128.06206	4.2
129.06975	22.5
131.08549	26.0
133.06502	2.5
133.10097	43.5
134.10492	2.4
135.11664	16.2
137.09578	3.3
143.08510	17.6
145.10092	27.1
147.08063	2.9
147.11659	60.0
149.13197	8.0
155.08533	4.2
157.10088	13.0
159.11676	20.9
160.18939	2.4
161.09654	4.0
161.13235	32.5
163.11176	3.4
163.14748	2.9
167.04073	2.2
169.10019	4.2
171.11667	33.2
173.13170	13.0
175.14758	17.0
177.12671	3.4
179.14090	2.9
184.07352	3.8
185.13228	10.1
187.11163	3.9
189.12727	10.1
189.16257	2.4
199.14812	9.1
207.13760	16.7
213.16351	4.5
217.19366	2.3
231.21063	4.5
241.19502	27.1
257.18896	3.3
259.20544	57.9
260.20746	3.2
261.22226	3.0
275.20035	4.9
279.15897	20.7
281.17416	72.3
283.18811	3.1
297.22049	2.2
315.23233	5.7
331.22449	3.3
333.24194	34.3
447.32632	8.5
465.33578	7.1
485.70029	2.5
503.37061	3.0
521.36066	5.6
529.38794	3.3
539.37238	54.2
540.37549	3.2
557.38409	26.8
755.39380	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.6
53.84605	2.4
55.05506	24.1
56.66504	2.8
57.03420	9.4
57.07084	2.7
60.20518	2.7
65.03936	3.6
66.03267	2.6
67.05497	78.0
67.62836	2.5
69.07053	18.0
69.28487	2.7
71.04971	4.6
71.22386	6.3
71.22768	5.2
72.63670	2.3
73.38521	2.7
79.05485	97.7
81.03397	7.2
81.07049	76.0
83.04963	14.2
83.08604	9.4
85.06532	4.8
91.05466	100.0
93.07032	93.0
95.04945	22.5
95.08588	55.6
97.06493	9.0
97.10146	6.9
103.05403	3.1
105.06329	5.9
105.07012	88.3
107.04938	6.5
107.08578	43.2
109.06487	5.2
109.10158	14.0
111.08051	5.1
117.07024	25.8
117.99394	2.9
119.08566	60.0
121.06474	5.6
121.10130	19.4
123.08075	7.6
128.06255	3.8
129.06978	24.0
131.08542	30.5
133.10107	51.4
135.11676	20.2
137.09650	2.6
140.97722	2.8
143.08522	17.5
145.10130	23.3
147.11667	67.7
149.13226	7.5
155.08453	3.1
157.10139	10.4
159.11671	19.3
161.09621	6.4
161.13249	41.7
163.11153	4.5
163.14798	4.1
169.10208	3.5
171.11653	35.5
173.13252	11.6
175.14792	13.8
177.12708	5.3
183.11682	4.6
184.07106	2.8
185.13217	8.3
189.12735	12.6
199.14761	5.6
207.13821	17.6
213.16412	4.5
231.21097	3.6
236.32610	2.6
241.19473	31.8
257.19031	3.5
259.20572	53.9
279.15930	17.2
281.17447	69.6
282.17770	4.0
315.23163	6.2
333.24219	49.8
334.24643	3.5
370.30984	3.0
437.34579	2.9
447.32660	4.1
465.33408	6.5
471.96780	3.5
483.34686	5.7
539.37280	70.4
540.37183	3.1
557.38318	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	756.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19549	0.7
55.01860	4.2
55.05503	17.1
57.03431	8.8
67.05496	21.8
69.03412	3.1
69.07057	5.8
71.04981	3.6
79.05479	20.6
81.03406	52.8
81.06606	1.5
81.07043	20.4
83.04989	5.1
83.08163	1.5
83.08608	16.9
85.02917	1.5
91.04922	1.5
91.05467	17.3
93.07032	16.7
95.04951	22.1
95.08597	8.5
97.02886	1.7
97.06506	3.3
97.10151	16.2
98.20657	1.7
105.07014	13.0
107.04942	15.2
107.08579	12.8
109.06500	11.1
109.10130	4.8
111.04433	1.1
111.08078	5.5
115.05410	1.5
117.06990	6.4
119.08579	12.5
121.06490	9.4
121.10125	8.5
123.04383	2.0
123.08032	4.9
123.11678	1.1
125.06016	0.9
125.09612	14.6
129.06973	8.2
131.04909	2.4
131.08554	8.9
133.06474	4.9
133.10094	4.1
135.08061	5.2
135.11653	1.8
137.05917	1.2
137.09583	1.1
139.07539	1.1
141.06937	1.7
142.07785	1.0
143.08504	2.0
145.06429	6.1
145.10091	5.0
147.04396	2.7
147.08020	5.5
147.11685	7.7
149.09612	5.6
153.09087	3.4
153.12621	1.1
155.08510	1.0
157.06456	2.2
157.10115	7.2
159.08002	2.8
159.11702	1.2
161.05959	1.8
161.09654	2.4
163.03891	1.1
163.11143	2.7
165.12743	1.6
171.11652	1.5
173.09601	1.7
173.13173	1.6
175.11154	6.2
177.05434	1.1
177.12727	1.4
185.09563	2.0
187.11218	1.6
187.14784	1.8
189.09604	1.2
189.11218	7.2
189.12714	1.6
191.14203	1.3
193.12228	15.8
195.08072	1.1
195.11678	1.7
197.13274	1.6
199.11238	2.3
205.12155	1.4
211.13164	1.7
213.12679	1.7
215.14299	2.8
217.12123	1.0
219.11778	1.1
219.13821	3.7
221.15367	0.9
223.13182	2.1
227.12753	3.4
233.15312	4.5
235.13214	1.2
237.12756	1.1
245.15318	1.2
255.13853	2.2
259.13272	1.4
267.15884	38.6
268.16241	2.2
273.14752	5.8
287.16379	1.3
311.16068	0.9
339.23044	2.3
349.21625	4.1
357.24231	1.3
367.22684	17.1
368.23148	1.0
385.23712	27.8
386.24060	2.4
403.24686	9.5
405.24152	1.4
408.77792	1.3
441.26181	8.3
442.27039	0.9
459.27371	100.0
460.27774	7.6
477.28427	88.9
478.28705	7.2
491.29916	12.3
501.27948	1.5
509.31082	4.0
541.33636	2.2
567.29303	1.9
585.29865	1.3
587.16833	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.8
54.54758	2.0
55.01852	13.9
55.05504	42.5
57.03430	14.0
57.04622	2.1
57.07060	4.6
59.04980	2.7
61.02916	4.3
67.05498	45.4
69.03397	5.1
69.07058	20.3
69.42753	27.3
71.01337	2.8
71.04971	6.9
79.05483	69.1
81.03408	16.9
81.06601	4.3
81.07047	58.9
83.01337	12.1
83.04960	19.2
83.08613	23.0
85.02876	9.9
85.06523	3.0
91.04916	4.8
91.05469	71.7
93.07029	80.0
95.04955	19.4
95.08589	36.0
97.02863	7.8
97.06507	9.8
97.10154	7.4
99.08035	4.0
103.05473	2.9
105.07015	76.2
106.07313	2.4
107.04929	10.5
107.08576	47.6
109.06487	12.8
109.10145	9.7
111.08066	6.6
112.91163	2.2
115.05412	2.5
116.06281	2.3
117.07000	32.6
117.07774	3.3
119.07732	4.4
119.08568	65.8
121.06460	6.4
121.10112	28.5
123.08066	13.7
125.00017	3.3
125.09633	6.5
128.06226	2.8
129.06978	12.0
130.07741	4.5
131.08543	29.1
133.06502	3.0
133.10112	49.8
135.08044	7.0
135.11673	34.5
137.09575	3.0
142.07767	3.1
143.08568	13.7
143.29826	2.6
145.06522	3.4
145.10110	43.5
147.07999	4.5
147.11650	38.1
148.11952	3.1
149.09604	5.0
149.13242	9.4
153.12727	3.9
155.08627	6.1
157.10126	13.2
159.11700	17.5
161.13271	23.8
163.11156	36.0
163.14827	3.4
163.46642	2.7
169.10031	2.5
170.84436	2.6
171.11641	15.7
173.09492	2.6
173.13225	10.3
175.14789	9.6
177.12721	3.4
181.12183	8.7
183.11661	5.1
184.07310	8.9
185.13246	13.1
187.14780	2.7
189.11212	6.5
191.10652	4.4
199.14728	7.7
209.11655	11.8
211.13222	3.4
211.14935	2.5
213.16141	3.3
217.15796	2.3
217.19614	2.8
221.94789	2.3
227.12755	24.5
231.21034	6.2
241.19498	28.6
257.19095	5.9
259.20541	77.9
260.20877	2.8
275.19989	5.3
283.15356	100.0
297.22134	8.3
315.23047	12.5
331.22733	2.9
333.24246	54.1
421.30542	2.6
431.29501	4.9
449.30435	9.4
467.31552	9.3
485.32492	3.5
523.34259	6.6
528.97626	2.5
531.37109	2.5
541.35181	84.9
542.35297	3.5
559.36163	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01864	0.9
55.05509	1.9
57.03421	1.5
61.02921	3.4
67.05489	6.3
69.03417	2.9
69.07050	3.4
71.01353	0.5
71.04984	0.5
71.70846	0.7
73.02907	3.2
79.05480	7.1
81.03399	2.5
81.07042	7.0
83.04971	1.9
83.08600	1.1
85.02897	4.4
90.12235	0.4
91.03937	2.2
91.05469	6.2
91.06021	0.6
93.07030	5.3
95.01278	0.5
95.04936	2.4
95.08601	4.6
95.16683	0.4
97.02875	4.3
97.06504	0.9
97.10159	0.5
99.04446	0.6
101.02373	1.9
105.07018	5.7
107.04926	1.8
107.08569	2.5
108.43469	0.4
109.02864	0.6
109.06509	0.8
109.10158	1.4
117.07005	1.2
119.04923	0.5
119.08557	4.1
121.06520	0.7
121.10139	0.9
123.08060	1.0
125.09620	0.4
127.03916	1.4
129.05464	0.5
129.06987	1.4
131.08585	1.2
133.10123	2.8
135.11731	0.8
143.08551	0.8
145.10156	1.3
147.11690	2.3
149.09608	0.7
151.11203	0.4
156.73724	0.5
157.10141	0.6
159.11734	0.8
161.13231	0.6
163.11211	1.1
171.11684	1.7
177.12752	0.5
179.14320	0.7
180.51892	0.4
207.13815	0.5
214.96864	0.3
239.41759	0.3
243.08321	3.4
247.13133	1.4
251.96446	0.4
275.02515	0.4
275.20300	0.5
277.21411	0.5
285.18298	0.4
299.14828	0.5
303.15680	0.6
315.19315	4.0
371.22083	1.1
377.97968	0.4
385.39328	0.4
452.68756	0.4
465.20886	11.3
533.27191	7.9
757.41193	100.0
758.41516	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	758.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.8
55.01859	8.1
55.05497	25.9
57.03431	16.5
57.07065	3.7
60.08162	5.8
61.02909	4.3
63.52176	3.0
67.05496	85.7
69.03425	5.2
69.07069	29.0
71.04989	12.4
71.07373	4.8
71.70408	6.6
73.02914	4.1
79.05476	56.7
81.03416	23.7
81.07045	100.0
83.04978	13.4
83.08604	19.0
85.02899	13.4
85.06583	3.7
86.09696	27.1
91.05458	51.5
93.07031	75.5
93.36974	3.9
95.04946	16.7
95.08591	37.7
97.02903	4.3
97.06513	15.9
97.10175	9.6
104.10751	3.6
105.07018	43.9
107.04934	9.0
107.08574	49.3
109.06473	8.5
109.10164	16.6
111.08089	5.7
117.06982	17.2
118.41608	3.4
119.08580	29.6
121.10114	30.0
123.11694	5.5
124.99997	16.0
125.09657	7.0
127.03955	4.4
129.06996	9.9
131.08559	30.7
133.10100	33.0
135.08018	7.2
135.11678	14.6
137.09599	3.8
143.08604	7.6
145.10078	17.9
147.08000	4.0
147.11687	15.4
149.09647	8.9
149.13260	25.4
157.10107	8.4
159.11694	20.7
161.13249	12.9
163.11200	10.6
173.13316	5.1
175.11198	4.1
177.12796	5.1
179.34227	3.3
184.07321	85.6
185.13271	4.6
193.12253	6.0
195.13774	8.6
199.16827	3.5
211.13283	14.4
227.12773	10.7
241.19479	3.6
253.14421	3.6
255.15927	4.5
257.19046	6.2
259.20599	15.6
267.15903	6.9
269.17410	61.1
271.07950	3.5
275.20078	21.3
285.16891	16.4
331.22601	4.2
333.24063	17.9
334.24124	3.4
349.23514	18.4
449.28937	19.9
463.30530	61.7
525.35541	9.6
543.36700	60.5
561.37323	10.1
717.97729	4.4
758.37756	4.4
759.38434	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	758.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	9.3
55.01860	7.9
55.05500	33.1
57.03424	22.6
57.07054	2.3
60.08160	4.9
60.23182	1.9
61.02909	4.6
65.03926	3.1
67.05492	73.7
69.03408	6.2
69.07047	19.2
70.96342	3.1
70.96700	5.3
71.04980	7.6
74.84925	2.3
77.03894	2.2
79.05476	78.9
81.03399	66.0
81.03875	2.6
81.07038	74.0
81.90152	2.3
83.04966	22.0
83.08604	30.2
85.02895	29.4
85.06513	4.3
86.09695	25.5
89.61224	2.2
91.05462	100.0
93.07026	77.1
95.04948	34.4
95.08591	43.2
97.02881	4.6
97.06526	5.7
97.10148	7.3
98.98427	2.6
99.08028	4.1
103.05476	2.2
105.07011	85.3
107.04945	13.4
107.08569	36.6
109.06499	10.1
109.10137	12.7
111.04419	2.9
111.08080	8.3
115.05454	3.7
117.06998	21.8
119.08557	83.2
121.06452	3.1
121.10111	26.4
123.08044	4.0
123.11656	5.2
124.99991	16.3
125.09631	4.8
128.06242	3.4
129.05518	2.2
129.06973	27.9
131.08549	38.0
133.06506	4.9
133.10104	50.1
135.08005	2.4
135.11667	20.2
137.09610	4.4
142.07761	5.5
143.08554	10.1
145.10109	24.3
147.08002	3.4
147.11653	47.7
149.09605	8.4
149.13232	8.5
155.08609	4.0
157.10121	27.0
158.10542	2.2
159.11676	19.8
161.13252	21.6
163.11223	3.6
163.14731	3.1
165.12770	2.9
169.10104	5.7
171.11644	13.0
173.09598	2.4
173.11838	2.8
173.13226	12.4
175.11116	15.7
175.14799	10.6
178.08708	2.0
183.11661	4.8
184.07309	81.9
184.08907	4.3
185.13228	10.3
187.14700	2.2
189.11214	2.7
189.16365	2.5
190.03256	1.9
193.12219	49.5
195.11667	3.9
197.13243	3.8
199.14780	6.1
201.16292	2.2
211.13254	54.5
215.18002	2.7
225.16243	2.6
227.12712	4.5
231.21043	4.0
241.19467	24.6
257.19055	3.8
259.20526	65.8
259.23288	4.0
261.12357	1.9
267.15781	20.0
283.15372	4.7
285.16895	66.5
299.23654	2.7
315.23169	9.5
333.24179	60.1
339.22839	2.6
345.62149	2.0
353.18875	2.4
371.26163	2.8
415.29922	2.5
433.30991	7.2
451.32013	9.4
469.33487	3.3
515.37085	3.8
525.35712	27.3
543.36719	67.1
544.36737	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	758.5028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
53.65805	2.6
55.05505	18.3
57.03422	6.6
59.68679	2.2
61.02904	4.3
65.03904	2.9
67.05495	86.8
69.07047	18.0
69.57316	22.2
71.04980	21.7
78.86426	2.5
79.05485	39.3
80.90063	2.8
81.03418	3.5
81.07043	100.0
83.04953	3.0
83.08601	10.1
85.02879	2.4
85.06532	6.8
89.69092	2.3
91.05453	32.8
93.07027	43.7
95.04955	4.6
95.08594	37.4
97.06509	7.7
105.07015	21.9
107.08578	24.5
109.10148	14.5
117.06994	6.1
119.08567	10.1
121.10085	15.3
123.11707	16.7
129.07175	2.5
131.08566	10.3
133.10118	23.9
135.11679	10.5
145.10127	8.6
147.11688	4.1
149.13239	6.8
151.11163	6.6
159.11708	5.5
169.12109	2.7
173.13301	3.1
183.13686	4.9
184.07333	3.1
187.13245	6.6
269.17554	4.1
301.19928	21.0
335.25763	27.5
345.75961	2.9
354.81152	2.7
485.36169	3.9
503.37225	98.9
504.37445	8.8
507.63580	3.3
517.38867	4.9
529.38879	18.1
561.33270	4.4
561.41541	75.0
562.41565	6.0
586.44904	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	4.4
57.07047	3.7
57.91116	2.6
62.32947	2.8
67.05512	4.3
69.07043	4.0
70.40633	13.6
79.05486	2.8
83.08602	2.6
93.07036	4.3
95.04933	3.8
98.20728	3.1
105.07028	3.4
107.08608	3.1
109.59882	3.6
145.95815	2.8
147.31874	2.8
188.56543	3.1
210.70158	3.1
384.26733	2.7
587.46143	9.4
619.40430	3.6
699.27930	7.3
727.27057	14.2
759.29346	20.6
759.40363	100.0
760.41174	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01862	0.7
55.05495	2.0
57.03424	2.4
61.02922	6.6
61.07952	0.4
65.03898	0.4
67.05495	6.6
69.03426	4.3
69.07054	1.7
71.04990	0.8
73.02903	3.9
79.05483	7.8
81.03421	3.3
81.07050	5.9
83.04964	1.2
83.08609	1.1
85.02895	5.8
87.04472	0.6
91.03946	2.9
91.05462	6.4
93.07031	8.2
95.04966	1.4
95.08588	4.4
97.02887	5.7
97.06528	1.1
99.04457	1.3
101.02361	2.0
103.03943	0.7
104.43175	0.4
105.07018	5.9
107.04982	0.6
107.08563	3.4
109.02891	0.6
109.06494	0.7
109.10145	1.0
113.09624	0.5
115.03887	0.4
117.07004	1.6
119.08559	4.6
121.06482	0.5
121.10131	1.6
127.03928	1.4
129.05486	0.4
129.07002	1.4
131.08571	1.3
133.10162	2.7
135.11711	2.2
143.08598	1.2
145.05006	0.5
145.10136	1.8
147.11653	3.0
149.13278	0.5
159.11659	0.5
161.13264	1.3
171.11699	1.8
173.13260	0.4
179.58797	0.4
184.07266	0.4
185.04263	1.5
203.05257	0.8
207.13817	0.7
226.62505	0.4
229.44380	0.5
243.08392	4.3
247.13020	2.7
259.20490	0.8
281.17560	0.6
301.08923	2.0
303.15717	0.5
315.10486	0.7
317.20972	0.6
341.12122	0.4
371.17188	0.5
373.11099	1.0
387.12723	0.5
397.17792	0.4
429.17273	0.5
435.19717	0.6
465.20956	12.8
478.19934	0.4
481.20480	0.6
495.22116	1.0
535.28772	6.1
537.23041	1.8
565.26263	0.5
621.32184	0.8
635.83264	0.4
709.31750	0.4
759.42804	100.0
760.43079	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	761.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01865	0.8
55.05507	1.1
57.03434	2.2
59.04986	1.1
61.02916	5.2
65.03939	0.5
65.18769	0.4
67.05502	3.1
69.03417	3.7
69.07064	1.4
70.06572	0.7
70.43461	1.6
71.01360	0.5
71.04981	3.3
73.02907	4.0
75.56211	0.4
75.98888	0.3
79.05479	4.6
81.03407	8.5
81.07047	5.2
83.04990	1.4
83.08616	1.6
85.02894	5.9
85.06523	0.8
86.09699	0.6
87.04455	1.0
91.03954	2.8
91.05466	5.7
93.07020	4.3
95.04940	3.1
95.08598	2.8
97.02884	4.6
97.06540	1.8
99.04475	1.2
101.02361	2.0
103.03939	0.5
103.05434	0.4
105.06995	3.1
107.04966	0.4
107.08569	2.8
109.02884	1.5
109.06525	1.1
109.10151	1.1
111.08089	0.8
117.07024	0.8
119.04888	0.4
119.08566	2.6
121.06548	0.7
121.10129	3.7
123.08063	0.8
123.11744	0.6
127.03902	2.1
129.07011	1.5
130.82445	0.4
131.08549	2.9
133.06453	0.6
133.10136	2.5
135.08073	0.5
135.11653	0.4
137.06004	0.9
145.04922	0.5
145.06546	0.6
145.10141	0.8
147.04446	1.0
147.11673	2.6
149.09587	3.4
151.23108	0.4
157.10110	2.3
163.03912	1.4
163.07565	0.5
163.11122	0.4
165.12787	0.6
167.07101	0.6
175.11148	2.2
184.07310	0.8
185.04320	0.7
193.12201	3.2
197.15356	0.8
203.05350	0.5
211.13403	0.5
225.14847	1.4
227.12328	0.4
243.08382	2.8
253.14183	0.6
267.15805	2.2
283.06351	0.5
283.15155	6.6
337.26218	0.5
339.17673	2.3
441.21045	0.4
469.20599	1.3
501.23047	29.2
502.23386	1.2
599.34442	0.9
606.77979	0.5
621.01288	0.4
683.36224	0.4
761.39233	100.0
762.39703	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	761.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01862	1.0
55.05501	1.9
57.03428	2.1
57.52011	0.5
57.63410	0.5
61.02920	6.0
67.05495	4.9
69.03417	3.7
69.07063	2.2
70.02985	1.0
70.03396	2.1
71.01340	0.7
71.04979	0.7
73.02908	3.4
74.10394	0.5
79.05480	5.2
81.03416	2.6
81.03820	0.5
81.07040	4.0
83.01368	0.7
83.04974	1.2
83.08591	1.3
85.02889	6.4
86.09698	0.8
91.03944	2.8
91.05473	5.2
93.07026	6.1
95.04968	1.8
95.08601	2.5
97.02882	4.9
97.06551	0.6
99.04447	1.5
99.42466	0.5
101.02379	2.2
105.07012	4.6
107.05008	0.6
107.08605	3.2
109.02866	0.8
109.06481	0.9
109.10184	0.7
117.07044	1.7
119.08572	2.6
121.10104	2.5
123.08077	0.7
127.03933	1.3
127.41371	0.4
130.84145	0.5
131.08582	1.5
133.10141	2.2
135.11697	2.1
138.88828	0.5
138.90079	0.5
143.08594	1.0
145.10098	2.4
147.11723	1.2
149.13304	0.6
159.11734	0.7
163.11111	2.5
175.14967	0.6
184.07349	1.4
185.04187	1.2
209.11702	0.8
243.08348	3.3
259.20514	0.5
283.15366	1.1
301.09033	1.8
313.09177	0.5
315.10544	0.8
465.20770	0.7
467.18900	12.7
469.20139	0.6
535.28638	5.0
761.40674	100.0
762.41034	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	763.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01869	0.9
55.05489	1.9
55.05730	0.5
57.03431	2.6
61.02924	5.4
61.19052	0.4
65.03946	0.5
67.05493	4.7
69.03416	3.3
69.07056	1.7
71.04958	0.7
73.02904	3.7
79.05478	6.5
81.03406	2.8
81.07037	3.7
83.08613	1.3
85.02901	6.0
86.09693	1.7
87.04478	0.7
89.06034	0.8
91.03949	3.8
91.05474	4.7
93.07035	5.9
95.04940	2.0
95.08595	3.6
97.02881	4.6
97.10177	0.5
99.04436	1.1
101.02376	2.0
104.75748	0.4
105.07021	4.1
105.71590	0.5
107.04964	1.0
107.08575	3.4
109.02859	0.8
109.06501	0.6
109.10142	1.2
111.08035	0.5
115.03915	0.6
117.07024	0.9
119.08577	3.6
121.06529	0.5
121.10137	1.3
123.07996	0.6
125.00000	1.2
127.03936	1.3
129.07062	0.8
131.08554	1.8
132.81467	0.5
133.10097	2.2
135.11688	1.2
141.07118	0.4
143.08607	0.9
145.10132	1.3
147.11676	1.5
149.09576	0.9
149.13235	0.6
157.10078	1.0
161.13232	0.5
164.67711	0.4
175.11272	0.7
175.14810	0.5
184.07300	5.8
185.04240	1.4
185.07663	1.0
193.12300	1.1
199.16956	1.3
210.15182	0.5
216.01089	0.5
243.08356	2.5
251.12668	1.7
259.20645	0.9
301.09018	1.3
307.15131	0.7
315.10358	0.6
363.97931	0.4
373.10696	0.7
465.21545	0.6
469.20508	5.8
492.83572	0.5
535.28711	9.3
541.22522	1.1
763.42242	100.0
764.42603	5.8
775.47009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01866	0.7
55.05507	1.9
57.03433	1.5
57.11199	0.4
60.08129	0.4
61.02916	5.3
67.05503	4.0
69.03421	3.3
69.07065	1.6
71.01350	0.8
71.04984	0.6
73.02910	3.3
79.05492	4.7
81.03408	3.5
81.07048	4.7
83.04980	0.9
83.08607	1.2
85.02895	6.0
86.09715	2.1
91.03940	3.1
91.05471	4.6
93.07042	5.6
95.04978	1.5
95.08598	3.2
97.02880	5.1
97.06504	0.5
98.98476	0.6
99.04455	0.9
101.02360	1.8
105.07024	4.6
107.08571	2.7
109.02895	0.8
111.04511	0.4
111.08081	0.5
117.07010	0.9
119.08580	3.5
121.10144	2.1
125.00050	1.5
127.03921	1.5
129.06996	0.9
131.08586	1.6
133.10109	2.2
135.11696	1.2
145.04988	0.5
145.10153	0.9
147.11736	1.7
149.13316	0.8
157.10085	0.7
159.11668	0.6
161.13292	0.7
175.11130	0.6
175.14911	0.5
184.07347	6.9
185.04224	1.1
185.07651	1.0
193.12244	0.6
203.05275	0.5
211.13278	0.6
243.08324	2.7
251.12579	1.2
259.20645	0.8
301.09055	1.4
307.15094	0.5
315.10544	0.6
333.24423	0.5
349.16150	0.6
385.18289	0.5
395.17059	0.4
397.18420	0.5
443.19107	0.6
465.21225	1.0
469.20395	6.2
535.28741	9.1
535.36444	0.7
538.12421	0.4
541.22382	1.2
583.27197	0.5
649.06152	0.4
763.42291	100.0
764.42365	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	766.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
55.05503	3.1
56.05016	0.4
57.03423	1.6
57.07065	0.5
60.04522	0.5
61.02917	1.3
62.06074	0.4
67.05498	5.1
69.03419	8.5
69.07056	1.5
70.06578	1.7
70.75214	0.9
71.04983	2.1
71.07366	0.5
71.08624	8.1
71.95231	0.3
72.08141	3.6
73.02908	1.5
79.05489	2.6
80.74846	0.3
81.03406	3.7
81.07047	11.2
82.02283	0.4
83.04963	1.0
83.08601	1.7
84.08152	2.2
85.02892	10.7
85.06528	1.0
86.06062	31.5
86.09658	0.5
87.04453	1.2
91.03950	0.6
91.05476	4.1
93.07030	3.7
94.06542	0.5
95.04945	1.4
95.08613	2.6
96.08110	3.4
97.02885	5.8
97.06542	2.5
98.06051	1.6
98.09682	9.6
98.46873	0.4
99.04447	1.4
99.08083	12.0
105.07012	4.1
107.04916	0.7
107.08595	2.3
108.08104	2.5
109.02874	2.9
109.06523	1.7
109.10136	1.2
110.09644	0.9
111.08066	0.5
112.07582	0.5
114.09171	0.8
116.10717	69.4
117.06992	0.6
117.09119	0.5
119.04880	0.7
119.08564	3.9
120.08080	0.5
120.17507	0.4
121.10131	3.1
122.09673	1.7
123.08107	0.7
123.11686	2.5
124.07584	1.7
126.09142	0.5
127.03889	5.8
129.07008	1.3
131.04874	0.5
131.08562	0.8
133.06526	0.4
133.10114	2.4
135.04425	0.8
135.11638	0.5
136.11192	0.7
137.05988	0.5
137.09656	0.6
140.10675	1.2
142.08644	2.1
142.12248	0.9
143.10649	3.2
145.02852	0.7
145.04942	2.0
145.10132	0.5
147.04344	0.6
147.08141	0.5
147.11665	6.5
149.09619	0.8
152.10637	0.8
157.10098	2.1
161.13153	0.5
163.03896	4.0
164.04315	0.4
165.12772	2.4
175.11151	2.8
181.12183	0.4
187.11322	0.4
187.13292	0.8
189.16302	0.4
193.12234	1.2
196.16960	0.6
205.08447	0.6
211.16905	0.7
213.14722	0.6
214.17996	9.1
225.11128	0.4
229.14378	1.1
236.16470	0.5
237.14848	1.2
243.12326	1.0
248.20049	0.9
255.15854	1.1
259.09564	0.5
260.21011	0.4
261.13312	4.6
262.21680	0.4
263.12759	0.9
264.23199	1.1
266.21246	2.0
282.24252	7.4
284.22128	4.2
290.21078	0.6
308.22183	6.9
326.19693	0.8
326.23227	8.4
330.52460	0.4
344.24283	100.0
345.24664	1.8
376.23358	1.5
424.30560	2.0
434.77966	0.4
442.31601	22.5
443.31787	0.7
488.28720	2.2
506.29587	28.9
507.29837	0.8
586.35583	0.9
604.36908	17.5
668.23883	0.8
668.34808	14.3
766.42194	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	766.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.0
55.05504	3.2
55.75636	0.3
56.05006	0.3
56.28499	0.3
57.03431	1.5
57.07061	0.3
61.02908	1.1
62.06080	0.6
67.05490	4.3
68.06380	0.3
69.03418	9.8
69.07055	2.6
69.99477	1.9
70.06592	1.9
70.66197	0.3
71.04983	1.5
71.07352	0.7
71.08619	7.7
72.08144	2.9
73.02899	1.1
79.05474	3.4
81.03401	4.2
81.07043	10.7
82.06588	0.3
83.01316	0.4
83.04957	1.2
83.07308	0.5
83.08601	1.6
84.04506	0.4
84.08124	1.4
85.02376	0.7
85.02890	11.0
85.06522	1.0
86.06054	29.8
87.04453	1.3
91.03918	0.3
91.05459	4.3
93.07021	3.7
94.06544	0.4
95.04937	1.2
95.08582	3.2
96.08111	3.5
97.02299	0.6
97.02866	5.2
97.06493	1.8
98.06036	1.2
98.09678	8.8
98.20753	0.4
99.04442	2.2
99.07426	0.7
99.08078	13.0
100.07604	0.7
105.07011	3.7
107.04914	0.8
107.08574	2.5
108.08105	2.6
109.02859	3.4
109.06496	1.9
109.10133	1.2
110.09644	0.5
111.04374	0.3
112.07561	0.6
113.06029	0.5
114.09138	1.1
115.03915	0.4
116.10708	68.7
117.07007	0.4
117.11111	0.5
119.08568	2.8
121.10103	2.6
122.09663	1.6
122.10421	0.5
123.08074	0.7
123.11698	2.9
124.07574	1.4
125.06014	0.4
126.09135	0.8
127.03893	6.2
127.07536	0.4
129.06961	1.2
131.08560	1.1
131.24437	0.3
133.06436	0.5
133.10060	1.7
134.09634	0.5
135.04390	0.4
136.11192	0.4
137.05856	0.5
138.09157	0.7
140.10683	1.2
142.07695	0.4
142.08618	2.2
142.12262	0.9
143.10631	2.4
145.04927	2.1
145.10072	0.5
147.04401	0.8
147.11658	7.3
149.09590	0.7
152.10632	0.6
157.10071	2.2
159.11592	0.4
163.03853	1.9
165.12704	2.2
171.98779	0.3
175.11107	2.9
177.05408	0.5
183.10143	0.5
187.13263	0.5
187.60120	0.3
193.12201	1.5
196.16945	0.8
205.08511	0.8
211.16861	0.6
213.14810	0.5
214.17969	9.5
222.22110	0.8
225.11191	0.7
229.14290	0.7
234.22180	0.4
236.16415	0.4
236.20128	0.7
237.14839	1.4
238.21782	0.4
242.10310	0.4
243.12260	1.2
246.22076	0.3
246.51668	0.3
248.19983	0.6
255.15878	1.2
261.13275	5.1
262.21860	0.3
263.12622	0.7
264.12970	0.6
264.23209	1.7
266.10712	0.3
266.20953	1.5
282.24225	8.5
284.22150	4.1
290.21030	0.7
296.22214	0.4
308.22137	6.7
326.23209	8.3
344.24255	100.0
345.24698	2.3
376.23251	1.4
385.81378	0.3
424.30640	2.0
442.31598	23.2
443.31702	0.9
470.27200	0.7
488.28644	1.9
506.29541	29.1
507.30139	0.6
586.35480	1.0
604.36810	19.0
650.32831	0.4
668.34698	14.2
669.33960	0.4
766.29736	0.5
766.42072	6.1
781.02832	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	6.4
55.05499	23.9
57.03429	6.3
57.07056	1.6
59.04982	1.0
61.02909	0.7
65.03926	1.9
67.05492	43.5
69.03416	8.0
69.07056	30.0
69.58127	5.3
71.04996	3.3
73.06527	1.2
77.03902	1.1
79.05480	55.2
81.03401	11.2
81.03867	0.9
81.07042	40.5
83.04962	10.9
83.08601	8.9
85.02885	2.2
85.06521	2.0
87.04491	1.3
89.06022	1.4
91.05465	45.3
93.07028	45.4
95.01317	0.8
95.04950	19.1
95.08587	20.9
97.02882	6.9
97.06513	5.6
97.10137	9.9
99.04421	0.9
99.08080	0.7
103.05466	1.0
105.04490	1.5
105.07008	33.0
106.07347	1.0
107.04936	10.3
107.08566	18.8
109.02865	1.5
109.06499	5.4
109.10133	8.3
111.04418	1.1
111.08075	3.5
115.05434	2.1
117.07002	10.3
119.04926	1.3
119.08557	22.1
121.06487	6.3
121.10106	6.3
123.08035	5.7
123.11660	1.2
125.09609	6.2
127.03867	1.2
127.79148	0.8
128.06219	2.7
129.06966	11.8
130.07816	1.2
131.08554	8.8
133.06491	3.3
133.10095	11.2
134.07217	1.1
135.07162	0.6
135.07994	3.8
135.11661	3.6
137.06003	1.0
137.09563	1.6
141.06950	0.7
141.09140	0.8
142.07770	1.1
143.08533	8.1
145.06482	1.4
145.10085	8.4
146.10609	0.7
147.08018	7.6
147.11658	20.9
149.09627	2.6
149.13255	2.2
151.11168	2.0
153.09113	1.3
156.09406	0.7
157.10109	3.0
159.08075	0.9
159.11694	2.9
161.09639	4.3
161.13222	5.2
162.10362	1.3
163.11180	2.2
165.09085	2.0
169.10143	2.0
169.12209	0.9
171.08060	0.8
171.11667	15.4
173.13242	1.2
175.11176	2.1
177.09032	0.8
177.12767	2.0
179.10574	0.7
181.10130	0.7
183.11662	0.9
185.13284	1.2
189.11154	2.6
189.12724	6.1
195.11938	0.9
195.13770	1.1
197.13330	0.9
207.13754	14.4
223.11256	1.3
223.13239	9.7
223.15012	0.9
225.14893	2.1
227.12729	4.7
227.20039	3.0
229.07187	0.9
237.16383	0.8
245.18985	1.8
249.14737	3.8
253.14345	3.2
255.17328	1.2
263.16602	1.0
267.15912	1.4
270.27341	0.9
273.18469	16.9
275.19980	1.3
281.17422	47.8
283.15234	1.1
291.19492	79.8
292.20001	1.4
299.23553	0.8
336.20908	0.9
347.22287	2.7
365.23163	30.6
366.23734	1.1
451.26801	1.5
461.30600	0.8
473.28946	5.1
477.28207	1.2
491.30258	1.0
553.35120	3.0
571.36224	100.0
572.36462	3.1
607.43652	1.2
689.44586	0.8
768.45813	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.3
55.05499	26.8
57.03428	7.9
57.07077	2.0
65.03936	7.1
65.16161	1.3
67.05494	91.0
68.23319	1.4
69.03415	5.8
69.07058	22.9
70.06950	9.4
71.04981	5.4
73.06546	2.5
73.85204	1.5
79.05479	94.9
81.03406	14.3
81.07043	87.5
83.04968	21.2
83.08591	12.9
85.02860	2.1
85.06522	8.2
91.05464	92.4
92.05807	1.8
93.07030	100.0
95.04948	28.3
95.08591	38.3
96.30276	1.3
97.02879	2.6
97.06514	8.3
97.10159	5.2
98.21454	2.0
99.04453	3.0
99.08091	2.3
103.05437	3.4
105.04465	1.6
105.07013	82.8
107.04944	15.8
107.08575	45.3
107.89889	1.3
109.02880	1.9
109.06493	14.3
109.10133	46.5
111.04503	1.9
111.08047	5.1
113.05997	2.7
115.05449	3.4
117.06996	16.0
119.08553	35.3
121.06493	12.3
121.10126	13.6
123.04472	1.6
123.08014	9.2
123.11674	7.1
125.09595	2.0
127.07539	3.6
128.06219	5.6
129.06990	20.1
131.08545	17.8
132.37518	1.4
133.06464	6.3
133.10107	65.2
134.10434	2.0
135.08055	9.7
135.11674	8.1
137.09593	3.9
142.07773	2.0
143.08537	15.8
145.10097	18.6
147.08025	6.8
147.11658	34.7
149.09567	8.7
149.13260	2.4
151.11159	28.2
152.11462	1.8
155.08510	2.4
157.10112	4.6
159.08038	3.2
159.11674	6.3
161.09592	12.9
161.13213	12.3
163.11180	3.5
169.10165	2.0
169.12218	5.3
171.11670	29.8
173.09543	2.0
173.13206	2.6
175.11201	4.6
177.09103	4.3
177.12807	1.7
179.10652	2.9
179.14368	2.9
187.11156	2.4
189.12685	12.1
207.13757	27.2
215.12631	1.8
225.14789	2.3
227.17984	3.6
237.16307	2.5
245.19092	4.7
251.12799	5.4
253.14316	98.9
254.14714	2.9
255.17467	3.8
263.20035	4.4
273.18466	42.7
275.20062	2.0
281.17432	61.5
282.17899	2.2
291.19522	41.1
301.21881	2.5
309.20544	3.6
329.21085	2.8
347.22147	15.4
365.23172	34.8
383.24237	2.4
475.26816	2.9
477.28406	33.5
478.28674	2.6
553.35181	18.9
554.35510	1.8
571.36230	90.0
572.36536	6.3
609.45056	5.9
641.90717	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	10.0
55.05503	37.6
57.03429	16.3
57.07058	3.9
61.02913	15.0
65.03930	10.6
67.05493	80.6
69.03419	34.9
69.07058	29.5
69.38376	6.5
69.38799	14.0
71.01345	4.4
71.04974	13.0
71.08620	2.7
73.02894	8.3
77.03919	2.3
79.05478	61.6
81.03408	55.4
81.07044	75.5
83.04967	14.9
83.08612	16.4
85.02892	23.8
85.06538	4.8
90.70531	2.2
91.03942	5.2
91.05463	67.5
93.07029	67.2
94.07427	1.6
95.04951	17.1
95.08588	59.1
97.02879	27.5
97.06506	6.4
97.10135	7.1
99.04432	7.1
99.08070	2.8
99.13581	1.8
101.02353	4.7
103.05442	4.1
105.04514	3.9
105.07010	60.5
107.04959	10.5
107.08579	43.8
109.02856	10.4
109.06488	9.6
109.10136	26.8
111.04411	3.1
111.08046	5.4
115.03909	2.0
115.05439	6.3
116.06194	2.5
117.07007	33.9
119.08555	49.7
119.09401	2.8
121.06487	7.1
121.10129	22.2
123.08063	5.6
123.11693	7.7
125.09589	5.6
127.03899	13.6
128.06200	9.3
129.05460	6.4
129.06976	25.3
130.07741	4.7
131.04939	2.7
131.08539	45.5
131.09453	3.4
132.00711	1.9
133.06474	3.1
133.10114	35.0
135.08035	8.2
135.11674	13.5
137.09631	3.0
137.13298	2.0
139.03893	2.1
141.06969	14.7
142.07768	4.5
143.08539	28.8
144.09274	2.5
145.04858	2.4
145.06517	3.3
145.10091	34.7
147.08002	5.2
147.11639	21.3
149.02322	50.4
149.03389	2.1
149.09598	7.5
149.12048	1.8
149.13243	6.4
150.02693	3.8
151.11172	3.0
153.06984	4.9
154.07733	3.8
155.08537	27.1
156.09373	4.2
157.10095	30.0
159.08014	4.8
159.11655	24.9
161.09590	5.6
161.13261	11.4
163.11209	4.6
165.06979	5.3
166.07765	3.5
167.08513	17.4
168.09314	5.1
169.10110	29.2
171.08046	5.2
171.11673	21.5
173.04440	20.3
173.09589	4.7
173.13194	18.1
175.11227	4.1
175.14873	4.5
177.12718	2.4
178.07671	2.3
179.08554	8.8
181.10085	17.6
182.10832	5.0
183.11671	23.6
185.09564	4.6
185.13260	13.7
187.11287	2.8
187.14777	6.7
189.11273	2.8
191.10823	1.9
192.09323	2.6
193.03189	3.5
193.04942	50.2
193.06644	3.9
193.10168	9.6
193.12077	1.8
194.10788	2.3
195.11746	16.8
196.12503	2.5
197.13222	17.6
199.11134	2.9
199.14838	10.6
201.12735	3.3
201.16412	4.3
205.10110	4.6
206.10896	2.5
207.11665	8.2
209.09517	2.8
209.13229	14.9
211.11261	2.5
211.14758	8.4
213.16367	4.4
215.14313	3.1
215.17842	2.8
219.11674	4.7
221.13179	10.6
223.11273	2.9
223.14825	10.5
225.12796	3.3
225.16411	5.9
233.13336	4.2
233.15411	2.0
235.14873	4.7
236.15633	2.0
237.16356	4.9
239.14285	3.1
239.17863	5.0
241.19539	4.4
247.14784	4.0
247.17078	2.2
247.20467	2.3
249.16318	2.8
251.17880	3.9
257.18973	3.5
259.14938	2.0
259.20602	5.3
263.17874	2.9
265.19400	2.7
267.11932	2.1
271.20709	3.1
273.18661	3.3
275.20029	20.7
279.20996	2.9
281.18994	2.5
283.11572	2.2
287.20163	2.5
297.22015	3.6
307.20297	3.0
313.21609	2.4
315.23083	5.0
321.21622	2.4
325.21570	2.6
331.22546	4.0
339.23111	3.8
349.24152	3.8
351.22961	2.8
363.26736	2.5
367.22556	5.2
385.08765	2.2
385.23621	5.7
403.25146	2.6
441.26282	2.3
502.42111	1.9
513.35638	3.6
515.38666	9.6
521.35254	2.0
527.37183	2.4
533.39673	5.6
589.42145	6.6
605.41327	2.7
607.43481	100.0
608.43707	7.0
609.43781	2.4
625.44342	5.7
635.40051	2.5
649.44897	3.1
671.40802	5.3
715.45984	3.7
733.46472	5.8
751.47583	10.5
769.17621	5.4
769.48828	42.4
770.49188	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	769.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.8
55.05503	23.8
57.03193	1.2
57.03428	11.5
57.07058	3.3
59.04984	1.5
61.02919	18.2
65.03928	3.8
67.05492	52.3
69.03420	19.3
69.07053	21.0
71.01347	2.6
71.04975	5.7
73.02903	12.7
79.05015	2.0
79.05480	41.5
81.03407	22.4
81.07041	45.8
82.07375	1.3
83.01348	1.3
83.04955	8.7
83.08603	12.4
85.02889	20.6
85.06539	2.8
87.04463	1.5
91.03944	9.5
91.05465	38.8
93.07026	35.5
95.04942	9.4
95.08587	32.4
97.02871	19.2
97.06509	5.9
97.10163	7.6
99.04440	3.7
99.08077	1.5
101.02367	3.4
103.05448	3.4
105.04508	1.3
105.07011	32.3
107.04929	5.7
107.08575	23.6
109.02843	4.9
109.06491	5.0
109.10136	18.4
111.04415	3.4
111.08067	3.6
115.03928	1.1
115.05433	4.2
116.06236	1.3
117.06997	19.7
119.08559	25.8
121.06516	2.4
121.10125	14.1
123.08024	5.1
123.11662	4.7
125.09590	5.1
127.03910	7.0
128.06171	4.9
129.05453	2.7
129.06987	17.1
130.07724	2.1
131.08545	24.6
133.06488	2.1
133.10109	18.8
135.08047	3.7
135.11674	9.3
136.64778	1.0
137.05951	1.6
137.09554	1.7
137.13272	1.0
139.11153	1.6
141.06961	10.6
142.07742	4.8
142.61540	1.0
143.08539	17.9
144.09303	1.4
145.04892	1.3
145.06485	2.5
145.10098	21.3
147.08008	2.8
147.11656	12.4
149.06044	1.1
149.09627	3.6
149.13211	3.1
151.11276	1.4
152.06258	1.0
153.06996	2.2
153.09027	1.0
154.07745	2.3
155.08521	19.0
156.09277	2.3
157.06438	1.8
157.10092	18.6
159.08064	3.0
159.11684	15.7
161.09590	2.5
161.13225	4.4
163.11189	5.2
163.14798	1.6
165.07002	3.9
165.09143	1.2
165.12704	1.2
166.07742	3.1
167.08525	12.6
168.09286	3.8
169.10104	21.9
170.10748	1.7
171.08043	1.2
171.11668	14.5
173.04430	3.9
173.09622	1.5
173.11824	2.2
173.13269	8.1
175.11156	1.8
175.14801	2.9
177.12741	1.4
178.07765	2.3
179.08495	6.7
179.82071	1.0
180.09326	2.6
181.10092	16.0
181.11830	1.2
182.10854	3.1
183.11639	18.8
185.09540	2.0
185.13234	9.1
187.11227	2.0
187.14760	5.3
189.11246	2.2
189.16475	1.2
191.08539	2.7
192.09254	2.0
193.10115	9.0
194.10791	1.3
195.11652	14.2
196.12447	1.8
197.09587	1.7
197.13231	14.1
198.13712	1.0
199.14854	5.5
201.12737	1.8
201.16354	1.6
205.10091	3.1
205.15938	1.1
206.10825	1.8
207.11670	9.4
207.13707	1.6
208.12404	1.8
209.09624	1.4
209.13263	13.0
211.11243	2.1
211.14838	7.5
212.15506	1.2
213.12784	1.7
213.16411	2.1
215.14359	1.4
215.17998	1.6
217.10104	1.8
219.11612	3.8
220.12469	1.2
221.13193	7.4
222.13947	1.5
223.11137	1.5
223.14796	8.9
224.15717	1.2
225.12648	1.7
225.16330	4.9
227.12602	2.0
227.17981	1.8
229.14224	2.0
233.13310	4.6
235.14793	7.0
235.16812	1.2
237.16335	7.7
239.17903	3.7
241.19649	2.0
245.13292	1.1
247.14748	2.7
249.16383	3.0
251.14125	1.5
251.17918	3.8
257.18912	2.4
259.20645	2.3
260.15686	1.3
261.16348	1.0
263.17972	3.0
265.19443	3.0
267.21072	1.9
271.20432	1.3
273.18637	1.8
275.20084	8.6
277.19611	2.2
279.17691	1.1
279.21002	1.2
283.15381	2.7
283.20596	1.5
291.19470	5.1
295.20602	1.7
297.05505	0.9
297.18570	1.1
297.22076	1.1
301.21494	1.1
305.18683	1.1
305.22568	1.2
307.20602	1.2
313.21613	1.6
321.22232	3.0
323.20267	1.4
325.21698	2.1
327.23175	1.0
331.23071	1.3
335.19952	1.0
335.23679	2.1
337.21509	1.9
339.23016	2.8
349.25037	2.8
363.22855	1.4
365.23404	3.0
367.22455	1.9
377.24222	1.2
377.28659	2.3
387.27124	1.0
389.28531	1.5
391.30109	1.5
422.04559	1.1
441.26303	1.3
445.30972	2.4
461.44592	1.0
487.33728	1.3
497.38025	1.2
513.35931	2.2
515.38715	7.5
525.35675	2.0
533.39777	4.5
537.35577	3.6
538.36548	1.9
539.37213	1.6
551.40961	1.3
563.98895	1.2
565.38416	1.3
573.34222	3.6
589.42633	7.4
605.41351	3.5
607.43463	100.0
608.43878	9.4
609.44611	1.5
619.42865	1.4
625.44086	2.3
649.44537	1.9
673.44330	1.2
715.45105	2.3
733.45972	4.8
751.48486	5.7
751.60620	1.0
769.48785	31.8
770.48560	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	770.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01629	1.1
55.01866	10.9
55.05502	34.6
57.03426	12.2
57.07068	1.0
59.04997	4.5
60.92067	0.9
61.02928	6.3
65.03918	2.4
67.05494	45.7
68.05811	1.8
69.03420	12.1
69.07060	27.7
69.47198	8.2
71.01328	0.9
71.04982	5.6
73.02902	3.9
79.05482	46.5
80.05820	1.5
81.03405	19.2
81.07044	43.3
82.07382	0.9
83.01324	7.2
83.04967	13.9
83.08604	18.7
85.02891	6.7
85.06528	2.0
87.04438	1.0
91.03934	2.7
91.05466	36.3
91.06042	1.7
93.07029	43.3
94.07369	1.4
95.04947	15.3
95.08597	24.3
96.08928	1.0
97.02879	13.7
97.06516	8.1
97.10159	13.7
98.20714	1.5
99.04434	2.5
99.08067	1.8
101.02380	1.0
103.05459	1.7
105.07019	30.3
105.07724	1.8
107.04940	14.7
107.08576	27.6
109.02875	2.4
109.06504	9.2
109.10145	11.1
111.04404	2.2
111.08060	3.0
111.11726	0.7
115.05431	1.5
117.06995	15.8
118.07263	0.9
119.04919	1.9
119.08562	24.4
120.08843	1.4
121.06506	4.7
121.10123	11.1
123.04428	1.7
123.08039	10.0
123.11692	2.1
125.05965	1.0
125.09587	8.2
127.03886	2.0
128.06177	2.4
129.05515	1.3
129.06973	8.8
130.07802	1.8
131.08543	14.9
133.06458	3.6
133.10114	13.1
134.07268	1.3
135.08054	5.9
135.11661	10.7
137.09621	3.4
139.07567	1.0
139.11166	1.2
141.06960	2.9
142.07732	1.6
143.08549	7.0
144.08923	0.9
145.06409	1.8
145.10112	20.0
147.08032	8.0
147.11662	9.9
149.09573	4.7
149.13251	3.6
151.11189	1.3
153.09038	0.9
153.12698	1.9
155.08565	5.2
156.09053	1.1
157.10086	6.3
158.10515	0.8
159.08041	1.4
159.11687	7.7
161.09592	3.2
161.13239	3.2
162.10371	1.4
163.11156	17.4
165.09091	2.3
167.08507	2.0
169.10092	4.9
169.12212	1.3
170.10461	1.4
171.11668	7.4
173.09602	4.0
173.13263	3.1
175.11208	1.3
177.12749	1.5
179.08528	0.9
179.14259	1.3
180.09299	0.8
181.10091	2.6
181.12234	2.6
182.10532	1.2
183.11639	4.8
184.12103	1.0
185.09583	1.4
185.13199	3.2
187.14821	0.9
189.11191	5.1
189.12733	2.0
191.08548	0.8
191.10657	2.9
193.10072	2.3
193.12199	1.8
194.10715	1.1
195.11710	1.7
196.12117	1.9
197.13307	2.9
198.13710	1.0
199.14799	2.0
205.12248	2.0
207.11797	1.8
207.13794	3.1
209.11488	6.1
209.13280	2.8
210.13647	1.3
211.13148	1.5
221.13263	1.5
223.13164	16.6
224.15248	0.9
227.12730	9.2
229.19408	1.0
237.16280	1.6
239.17914	1.7
245.18950	1.1
249.14807	3.0
253.14339	2.8
255.17517	1.3
257.19016	2.8
263.20139	1.2
265.14362	1.2
273.18466	13.9
274.18585	0.8
275.19986	8.2
276.20184	1.3
281.17401	10.8
283.15369	74.2
284.15735	2.2
291.19498	100.0
292.19962	2.5
309.20636	1.5
326.22003	1.1
347.22214	2.4
349.23801	3.6
365.23184	50.3
366.23288	1.7
451.27136	1.4
453.24600	1.1
461.28741	2.4
475.31088	4.9
491.27118	0.8
493.27820	3.0
516.38904	2.0
537.35834	1.7
541.35168	1.3
555.37549	7.0
573.34131	95.2
574.34540	4.0
607.43524	5.6
608.43805	21.5
770.49103	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	770.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	7.1
55.05505	27.2
57.03431	12.3
57.07064	2.6
61.02910	2.3
61.61324	1.3
65.03919	5.9
67.05496	78.5
68.05816	3.5
68.08839	1.4
69.03416	5.4
69.07056	28.3
69.58746	4.1
69.59172	6.3
71.04974	6.1
71.08604	1.9
73.02875	2.3
73.06552	2.6
77.03923	1.7
79.05482	99.2
80.05833	2.3
81.03401	13.0
81.07044	75.5
82.07363	2.3
83.04964	17.9
83.08611	15.8
85.02876	5.5
85.06531	4.5
91.05468	86.0
92.05812	5.0
93.07031	100.0
94.07367	3.7
95.04954	24.8
95.08000	2.6
95.08594	46.9
97.02873	6.2
97.06528	10.5
97.10168	5.1
99.04431	2.2
99.08068	3.3
103.05447	1.9
103.63500	1.2
105.04515	1.6
105.07015	67.6
106.07323	3.3
107.04945	11.1
107.08578	38.9
108.08886	2.9
109.02835	1.4
109.06488	9.0
109.10133	12.1
110.10495	1.8
111.08073	4.8
115.05463	2.9
116.61173	1.3
117.07015	22.5
117.55904	1.2
119.07725	2.9
119.08565	46.8
121.06473	6.3
121.10120	16.5
123.08065	7.7
123.11687	3.7
125.09637	2.8
127.03886	2.9
128.06223	5.1
129.07001	21.5
130.07816	2.5
131.08548	23.7
133.10110	32.1
134.10457	4.2
135.08060	3.3
135.11679	10.4
137.09584	3.3
141.06970	3.3
143.08536	13.1
144.37750	1.3
145.06516	1.8
145.09001	1.5
145.10112	21.6
147.08029	5.0
147.11668	55.8
148.12000	3.8
149.09592	9.5
149.13263	10.9
151.11140	3.7
155.08504	2.9
157.10132	6.7
159.11658	15.6
161.09610	6.1
161.13242	25.4
163.11165	5.2
163.14819	1.6
167.08578	1.2
169.10124	2.2
171.11662	33.6
171.13072	2.5
172.12204	3.1
173.13231	6.8
175.14778	5.3
177.12726	5.1
179.14296	1.9
179.77589	1.3
181.10104	1.4
183.11633	2.8
184.07341	1.7
185.13214	6.2
187.14836	2.1
189.11256	2.1
189.12759	12.7
192.73601	1.3
195.11725	2.0
195.13748	3.1
197.13301	1.5
199.14766	2.0
207.13765	22.0
208.14156	1.8
211.14731	1.7
213.16466	3.1
217.15897	1.5
227.12746	2.1
229.19551	1.6
231.20987	2.1
239.17830	2.4
241.19438	9.9
253.14322	5.3
254.14691	3.4
255.14667	1.5
257.18866	7.6
259.20551	17.1
269.17456	12.4
274.18820	1.8
275.20047	11.7
276.20309	1.4
279.15964	6.7
281.17426	54.8
282.17807	5.6
291.19415	2.7
292.19815	2.3
293.20969	8.8
315.23254	2.8
333.24182	15.5
349.23825	5.2
366.23566	2.2
367.23929	3.7
465.33643	2.6
475.30499	30.7
477.28470	1.6
478.28436	1.7
479.29004	3.3
483.33942	1.9
539.30090	2.2
539.37317	24.1
555.36310	4.7
557.38165	5.6
571.36206	2.1
572.36212	2.3
573.37262	13.3
608.43951	3.2
733.37946	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	9.2
55.05235	2.0
55.05504	37.5
57.03429	7.8
57.07062	1.7
59.04988	1.1
59.25580	0.9
65.03922	3.0
67.05494	57.9
68.05810	1.0
69.03424	6.4
69.07058	19.9
69.55971	7.8
71.04976	3.8
73.02894	1.5
73.06557	1.6
77.03889	1.9
79.05480	84.7
80.05807	1.2
81.03399	11.3
81.07043	46.1
83.04970	11.8
83.08608	18.7
85.02880	1.9
85.06515	3.0
91.05465	62.2
92.05766	0.9
93.07028	75.0
95.04955	23.3
95.08595	29.4
96.08926	1.0
97.02886	4.4
97.06516	9.4
97.10152	28.4
99.04475	1.1
103.05447	1.8
105.04476	1.2
105.07014	52.2
106.07351	1.4
107.04933	13.5
107.08576	54.4
109.02850	2.4
109.06488	7.1
109.10141	14.5
111.08046	2.2
114.87769	0.8
117.06998	14.8
119.08563	30.6
121.06497	4.8
121.10129	11.1
123.08035	5.3
123.11677	2.0
125.09619	24.0
127.03896	2.1
127.07539	1.2
128.06218	2.9
129.06992	15.6
131.08560	10.5
133.06483	1.5
133.10115	22.8
133.11115	1.1
135.08031	5.9
135.11670	11.1
137.09550	1.5
141.06950	1.8
143.08546	8.9
143.10649	1.3
145.06476	1.0
145.10106	24.6
147.08028	4.3
147.11662	38.7
149.09596	11.5
149.13277	0.9
153.09102	1.7
153.12624	1.2
155.08557	1.6
157.10088	1.5
159.11673	5.8
161.09587	4.8
161.13264	9.8
163.11139	10.2
165.12645	1.0
167.16357	0.9
169.10121	1.8
171.10196	2.9
171.11641	22.6
171.13063	1.9
173.11830	1.1
173.13200	2.1
175.11227	1.3
177.12804	1.8
177.32732	0.9
179.03537	1.0
179.14330	1.4
181.12218	1.6
183.11638	2.5
185.13318	1.9
187.11142	1.2
187.14722	1.1
189.11186	11.9
189.12743	10.0
197.13148	2.3
201.12691	1.1
207.11795	1.5
207.13770	27.2
208.14185	1.0
223.13275	2.8
225.14795	1.1
227.12743	59.5
228.13058	1.2
229.19379	1.4
239.17906	3.3
257.18982	9.2
259.20279	1.1
273.18427	2.1
275.20023	41.9
276.20386	1.2
279.15891	2.2
281.17435	71.2
282.17795	2.1
283.15335	12.1
284.45786	0.9
291.19556	16.9
293.21191	1.1
331.22607	6.7
349.23730	30.3
350.23767	1.5
365.23172	10.6
389.18106	1.6
445.31119	1.4
451.26877	32.8
452.26874	2.0
463.31769	1.8
481.32800	1.0
537.35870	6.9
555.36755	100.0
556.37073	6.0
573.33765	18.5
595.30792	3.7
793.55267	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03537	1.3
55.01867	9.5
55.05504	28.5
57.03430	11.5
57.07072	2.5
59.04983	1.7
61.02907	2.5
65.03925	4.0
67.05497	76.2
69.03415	6.7
69.07060	28.4
69.59042	10.8
71.04976	4.7
73.02907	1.8
73.06526	1.4
76.28546	1.0
77.03908	1.8
79.05483	98.7
80.05839	1.3
81.03419	13.3
81.07045	79.5
83.04971	19.9
83.08598	12.5
85.02895	4.0
85.06523	4.8
91.05468	79.8
93.07033	83.7
95.04960	23.7
95.08595	37.0
97.02862	4.2
97.06513	16.8
97.10149	8.3
98.20692	2.4
99.04470	1.7
99.08069	2.3
103.05442	2.4
105.04459	1.3
105.07016	57.6
107.04944	13.0
107.08578	38.3
109.02851	3.3
109.06513	10.4
109.10117	11.1
111.08056	5.1
113.09614	1.6
115.05455	1.8
117.07005	20.3
119.08572	36.3
121.06522	6.0
121.10141	12.9
123.08065	8.7
123.11711	2.8
125.09587	5.8
127.03913	1.8
128.06239	2.7
129.06990	17.1
130.07765	1.4
131.08554	16.3
133.06454	2.1
133.10120	22.9
135.08037	3.6
135.11681	10.7
137.09602	2.8
141.06956	2.0
142.07620	1.1
143.08530	9.5
145.10100	20.4
147.08067	2.6
147.11668	37.9
149.09602	15.7
149.13216	7.4
151.11131	2.2
155.08537	2.8
157.10106	2.7
159.11676	12.3
161.09579	4.9
161.13248	12.8
163.11157	9.8
169.10118	2.0
171.10222	2.2
171.11653	23.6
173.04420	2.9
173.13268	4.3
177.12746	2.3
179.14310	2.8
183.11662	1.7
185.13234	2.1
187.11108	1.7
189.11205	2.6
189.12749	9.0
195.13803	3.1
197.13301	1.4
207.13779	30.9
207.15628	2.2
212.16530	1.3
225.14815	2.1
227.12762	10.8
229.14276	2.5
229.19548	1.5
239.17986	2.3
247.20598	1.8
253.14064	1.5
255.15936	4.6
257.18933	7.6
267.16107	1.3
269.17426	14.1
275.20044	38.1
276.20358	1.4
279.15955	2.2
281.17435	80.5
282.17941	2.9
293.21115	3.8
331.22598	1.8
349.23727	21.8
367.24667	2.3
435.27402	2.6
451.26852	3.3
457.29413	1.8
459.31226	2.3
461.28915	27.3
462.29153	2.8
475.30533	100.0
476.30612	6.6
515.33563	1.8
527.37250	1.3
537.35754	3.4
555.36774	47.7
556.37030	5.2
573.37909	6.6
619.34552	2.1
786.73218	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	10.8
55.05503	34.1
57.03432	15.5
57.07055	2.9
58.43736	1.3
59.04997	1.4
61.02903	3.8
65.03922	5.9
67.05496	76.8
69.03418	8.8
69.07058	30.6
70.84109	4.8
71.04979	5.0
73.02895	1.8
79.05482	100.0
80.05795	1.4
81.03407	16.0
81.07043	79.8
82.07365	2.5
83.04968	20.6
83.08606	15.5
85.02892	6.6
85.06525	6.2
87.04451	1.9
88.78004	1.6
91.03941	1.9
91.05468	85.5
92.05776	3.7
93.07032	92.3
94.07378	2.0
95.04958	24.5
95.08593	42.6
97.02878	7.1
97.06517	16.5
97.10150	7.7
99.04403	1.8
99.08076	2.7
103.05450	2.9
105.04503	2.9
105.07019	59.7
106.07348	2.4
107.04935	12.5
107.08578	34.6
109.06484	9.8
109.10157	13.5
110.60470	1.4
111.04395	2.2
111.08050	2.7
115.05407	4.0
117.07006	19.2
119.08565	36.6
120.08807	1.4
121.06462	6.5
121.10139	13.5
123.08063	10.1
123.11729	2.2
125.09645	6.8
127.03925	2.6
128.06174	3.8
129.06979	23.1
130.07755	1.9
131.08548	22.2
133.06459	3.2
133.10109	22.5
134.10457	1.5
135.08025	4.0
135.11690	12.4
137.09590	4.2
141.06953	3.3
142.07707	2.2
143.08554	13.1
145.06387	2.6
145.10104	21.0
146.10422	1.8
147.08005	4.2
147.11667	36.0
148.12045	1.7
149.09587	6.1
149.13225	5.3
151.11217	2.2
155.08524	5.9
157.10094	7.3
159.11632	10.6
161.09608	4.1
161.13240	10.6
163.09825	1.6
163.11162	10.1
165.12711	1.8
167.08546	4.1
169.10095	4.5
171.11674	23.5
173.13304	3.2
177.12738	2.5
181.10117	2.0
181.12253	1.5
182.10687	1.4
183.11676	4.0
184.07376	1.8
185.13341	2.4
187.11099	2.1
189.12682	6.7
195.13763	2.2
196.12172	1.3
197.13223	3.4
199.14803	3.4
207.13765	23.3
209.13240	1.8
211.14810	2.1
213.16286	1.8
217.15804	2.1
223.13168	3.1
227.12793	6.2
229.19469	1.6
239.17764	2.3
253.14325	2.6
255.15746	3.2
257.18896	9.3
267.15854	2.1
269.17593	8.9
273.18515	3.2
275.20065	24.0
281.17429	56.2
283.15329	11.2
291.19446	16.3
291.77255	1.5
293.20920	3.4
331.22635	2.8
349.23721	14.0
365.23166	5.2
435.28082	1.4
459.31207	1.3
460.79767	1.6
461.28946	21.2
469.69620	1.4
475.30554	51.4
476.30869	3.1
491.29544	1.5
515.33203	2.5
537.35522	2.7
555.36823	30.9
573.33630	11.5
604.33331	1.8
607.43134	2.3
608.43823	13.0
770.48627	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	770.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	7.3
55.05236	1.0
55.05500	18.2
56.87080	0.8
57.03424	7.9
57.07056	1.6
57.38638	0.8
61.02899	1.6
65.03917	2.7
67.05494	53.8
67.27366	0.9
69.03400	4.1
69.07058	19.8
70.81837	2.9
71.01350	1.1
71.04962	4.1
73.02908	1.0
73.06542	1.0
77.03893	1.0
79.05482	65.6
81.03407	11.9
81.07043	60.5
81.07423	0.8
81.07545	1.7
82.07393	0.8
83.04966	13.1
83.08610	11.2
83.13477	0.8
85.02885	2.2
85.06522	3.0
91.05464	52.3
93.07028	65.8
95.04961	18.2
95.08591	24.6
97.02877	2.9
97.06513	10.5
97.10138	3.7
99.04440	1.7
99.08060	1.3
103.05433	1.6
105.04461	1.1
105.07010	38.7
107.04941	9.3
107.08572	26.2
109.06496	8.1
109.10130	9.1
111.08064	2.9
113.09618	1.7
115.05357	1.4
117.06998	13.3
119.07725	1.9
119.08560	27.3
121.06486	3.6
121.10113	9.2
123.08054	4.4
123.11674	2.9
125.06008	0.9
125.09590	1.8
127.03901	1.8
128.06203	2.7
129.06984	13.5
131.08549	10.3
133.06573	1.1
133.10110	19.4
135.08037	3.3
135.11679	8.9
137.09642	1.3
141.06956	1.5
143.08524	7.4
145.10097	14.1
147.08029	2.7
147.11662	28.4
149.09590	6.7
149.13245	6.7
151.11160	4.6
153.86642	0.9
155.08450	1.4
156.09250	1.1
157.10115	2.1
159.11629	6.6
161.09546	3.1
161.13223	8.2
163.11137	4.0
169.10127	2.5
171.11656	16.8
173.13228	2.1
177.12753	2.5
179.14253	1.5
183.11665	1.0
189.12668	7.1
195.13770	4.4
196.12263	1.0
200.91031	1.0
207.13786	19.8
225.14761	1.8
227.12737	2.2
229.19592	1.8
239.17844	1.3
247.20642	1.3
253.14316	8.5
255.15887	5.2
257.18982	3.7
268.02625	1.0
269.17419	15.5
273.18408	1.3
275.20023	14.8
279.15829	1.2
281.17426	43.5
283.15421	2.3
293.21082	1.2
331.22668	1.2
347.85486	0.9
349.23590	10.4
367.24677	2.7
435.27490	1.4
459.31155	0.9
461.28940	21.9
462.29416	1.1
475.30487	100.0
476.30853	6.7
555.36768	19.0
556.36700	1.5
573.37866	5.1
619.34186	2.4
645.67798	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99172	0.1
54.28978	0.1
55.01853	0.3
55.05492	0.3
57.03426	1.8
61.02874	0.5
65.20512	0.1
68.99761	0.3
69.03417	1.0
70.06542	0.2
71.01321	0.1
71.04981	7.9
71.45578	0.3
71.45916	0.2
73.02869	0.4
73.55576	0.1
75.04432	0.4
81.03376	0.5
83.04925	0.4
84.03018	0.1
84.47076	0.1
85.02892	12.3
87.04453	0.3
88.59539	0.1
91.03935	0.2
97.02876	1.2
99.04404	0.3
105.03351	0.2
107.04915	0.1
109.02830	0.5
111.00756	0.4
111.04385	0.4
121.02061	0.2
121.02842	2.1
127.03892	0.7
129.05450	2.5
131.04886	0.1
133.02797	0.3
135.04373	0.2
137.02327	0.6
141.50943	0.1
145.04889	0.4
145.06427	0.2
147.04356	0.4
147.06476	0.6
153.01790	2.2
157.06410	0.3
163.03856	0.5
165.01828	1.5
170.90140	0.1
171.02966	0.1
171.04422	0.2
183.02885	0.8
185.06004	0.3
203.06909	0.1
213.05469	1.2
231.06563	0.6
241.04922	0.9
258.05130	0.8
259.05911	0.4
269.04489	0.3
271.05911	0.2
287.05447	100.0
288.05765	3.2
290.03046	0.1
299.05612	0.2
311.21112	0.1
329.06540	0.2
341.59430	0.1
449.11011	0.2
463.08655	36.0
464.09079	1.4
777.76984	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	771.5025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.6
55.05502	10.8
55.23652	0.6
57.03426	4.8
57.07059	2.1
61.02915	16.3
61.83352	0.7
65.03926	1.7
67.05495	24.7
69.03422	9.4
69.07056	10.5
69.44212	3.4
69.44637	2.2
71.01326	1.6
71.04977	2.4
73.02907	8.3
73.74030	0.6
79.05480	17.1
81.03406	4.1
81.07046	21.1
83.04964	1.9
83.08614	5.1
84.44580	0.7
84.80157	0.6
85.02894	12.7
85.06516	1.4
89.01406	0.5
91.03951	6.0
91.05462	12.8
93.07033	16.2
95.04960	2.6
95.08590	18.4
97.02876	11.4
97.06515	1.8
97.10134	2.8
99.04427	1.4
99.08057	1.1
101.02365	1.9
103.03901	0.6
103.05431	0.9
105.07011	12.9
107.04943	1.4
107.08573	9.5
107.94624	0.8
109.02840	0.9
109.06510	1.4
109.10130	7.0
111.04459	0.8
111.08064	0.9
115.05430	1.9
117.07005	7.6
119.08569	14.1
121.06438	1.1
121.10124	6.3
123.08018	1.4
123.11687	1.9
125.09634	1.1
127.03900	2.9
128.06190	3.1
129.06982	8.3
130.07751	0.6
131.08553	10.7
133.10107	10.0
134.05510	0.6
135.08067	1.4
135.11638	4.8
141.06973	4.6
142.07755	2.4
143.08537	11.6
144.09300	1.1
145.04926	0.8
145.10092	10.4
145.11220	0.8
147.11658	5.9
149.09564	1.0
149.13229	1.7
151.11244	0.6
153.06996	2.2
154.07733	1.5
155.08530	10.0
156.09319	2.0
157.06575	0.5
157.10112	11.9
158.10809	0.7
159.11652	8.9
161.09711	0.8
161.13220	2.7
163.11188	1.8
163.14746	0.7
163.70088	0.6
165.06927	1.0
166.07767	1.2
167.08528	5.4
167.10568	0.6
168.09344	2.2
169.08691	1.1
169.10094	11.5
170.10774	0.6
171.11679	8.0
173.13222	5.4
175.14798	1.9
177.12753	1.1
179.08549	2.1
180.09409	0.6
181.10101	7.1
182.10909	1.7
183.11676	10.2
184.12425	0.7
185.11684	1.1
185.13228	8.2
187.11060	0.7
187.14761	2.8
189.16432	1.3
193.10136	2.9
193.15782	0.6
194.10811	1.2
195.11665	7.9
197.13216	8.3
199.14816	4.8
201.16394	1.6
203.17802	0.8
205.10123	1.4
207.11653	3.3
208.12346	0.7
209.13275	5.6
211.14819	5.8
213.14627	0.7
213.16385	3.1
215.17929	1.2
219.11728	1.2
221.13171	2.3
223.14818	4.3
225.16313	3.2
227.17958	2.5
231.11713	0.7
233.13324	0.9
235.14824	2.6
236.40804	0.6
237.16353	3.0
239.17937	2.0
241.19673	1.2
247.14818	1.0
249.16579	1.3
251.18004	2.2
257.18982	0.7
265.19754	1.4
269.23190	0.6
273.16055	0.6
275.20212	0.8
279.21039	1.3
299.23596	0.9
309.21893	0.7
323.23669	0.8
325.25262	0.7
335.26007	1.3
337.21619	0.9
337.25159	1.4
348.18909	0.7
351.26859	1.7
353.24796	0.8
357.24060	0.7
363.26788	0.9
365.24500	0.8
365.28458	1.3
369.27539	0.6
379.30109	0.8
395.29504	0.7
421.30618	0.7
429.31393	0.8
447.32358	1.5
461.33801	0.8
475.35156	0.8
499.39554	1.2
501.35577	1.2
515.37628	1.3
517.40283	6.6
521.36194	0.7
523.37750	0.9
525.35791	0.9
527.37439	1.0
535.41656	3.0
539.37146	1.7
540.37799	0.9
541.38861	1.7
543.36615	1.0
553.39117	0.7
555.41180	0.6
573.43585	0.7
575.39886	1.2
591.44098	5.8
607.43445	1.8
609.45026	100.0
610.45349	4.0
611.46973	1.1
621.45154	1.2
717.47510	0.9
735.48187	0.8
753.48718	1.8
771.50256	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	771.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.4
55.05505	13.1
57.03422	4.4
57.07058	1.4
60.47911	0.7
61.02916	15.9
62.22234	0.7
65.03924	1.4
67.05493	22.3
69.03415	9.8
69.07059	11.6
70.12787	2.8
71.01328	1.6
71.04978	2.3
71.08647	0.8
73.02579	0.9
73.02908	9.6
79.05482	13.3
81.03393	3.0
81.07047	18.2
83.04947	1.9
83.08608	5.6
85.02888	13.1
85.06536	0.9
91.03941	8.2
91.05466	13.3
92.12635	0.8
93.07023	12.5
95.04935	2.4
95.08587	16.5
97.02873	12.0
97.06501	1.6
97.10126	3.0
99.04429	1.8
101.02356	1.9
105.07008	12.7
106.07424	0.8
107.08577	8.8
109.02869	1.1
109.06454	1.5
109.10127	7.6
115.05442	1.4
117.07014	7.2
119.08563	11.9
121.10137	6.3
123.08113	0.9
123.11697	2.6
125.09595	1.5
127.03888	4.2
128.06190	3.3
129.06982	9.1
130.07703	0.9
131.08554	11.7
133.10095	7.0
135.11655	4.9
141.06987	4.8
142.07750	2.8
143.08531	12.2
145.04927	0.8
145.10143	10.5
147.11626	6.3
149.09673	1.2
149.13229	1.1
153.07014	1.1
154.07785	1.0
155.08524	8.4
156.09320	1.0
157.10117	11.6
159.11684	8.1
161.13168	3.8
165.06969	2.1
167.08519	4.1
168.09273	1.2
169.10104	12.6
170.10799	1.3
171.11670	10.7
173.13255	5.2
175.14728	2.2
179.08549	1.9
180.09317	1.2
181.10085	6.8
182.10797	1.0
183.11679	10.3
184.12308	0.9
185.13219	7.8
187.14803	3.2
189.16275	0.9
193.10074	2.8
195.11642	7.4
197.13214	10.3
199.14844	5.4
201.16364	0.9
207.11671	1.7
209.13197	6.4
211.11185	0.9
211.14764	5.9
213.16394	3.7
215.17957	1.3
219.11703	0.9
219.17291	0.9
221.13225	2.4
223.14798	5.0
225.16296	4.0
227.17899	2.5
233.13249	1.3
234.83781	0.7
235.14775	2.5
237.16347	2.8
239.17888	2.7
241.19543	1.9
249.16451	1.7
251.17885	2.4
253.19574	1.5
257.13312	0.8
263.17978	1.3
265.19611	1.3
267.21252	1.0
271.20654	0.8
279.20728	1.0
281.18875	0.8
281.22546	1.1
311.23645	1.0
325.24969	1.0
335.23621	1.0
337.25046	1.0
347.23422	1.5
351.26755	1.4
365.28308	1.5
369.27094	0.7
379.30219	1.0
403.29575	0.8
447.32263	0.8
449.34030	0.9
461.33530	0.9
475.34671	0.8
499.39478	1.2
501.35788	1.3
517.40668	6.8
535.41302	2.0
539.37128	0.9
541.39227	1.4
553.38831	1.1
591.43927	6.9
607.43054	2.2
609.45032	100.0
610.45337	7.0
621.44867	1.6
651.45459	1.4
699.45801	0.9
717.48102	0.9
735.47992	0.9
753.48932	1.9
771.50116	16.3
772.49237	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01796	1.6
55.05440	9.3
55.05729	1.0
55.97550	0.4
57.03361	4.7
57.06998	1.6
59.04931	0.6
59.95716	0.4
61.02850	13.1
61.03184	1.3
65.03868	1.5
66.80401	0.4
67.05423	20.8
67.05820	1.8
68.05784	0.4
69.03345	7.1
69.06986	8.7
70.01652	2.4
71.01290	0.8
71.04901	1.5
71.08563	0.4
73.02834	7.6
73.03275	0.5
75.04399	0.5
79.05402	14.0
79.05907	1.0
81.03407	4.0
81.07045	18.9
81.07475	1.2
83.04900	1.7
83.08608	5.4
85.02893	11.7
85.06474	1.0
87.04396	0.5
91.03948	7.4
91.05466	13.7
91.06006	0.7
93.07032	15.9
95.04952	3.0
95.08591	16.5
97.02883	11.1
97.06510	1.9
97.10153	2.6
98.20742	0.5
99.04359	1.3
99.08028	0.6
100.32028	0.5
101.02294	1.8
105.07016	13.5
107.04910	2.1
107.08576	10.4
107.09245	0.4
109.02766	1.3
109.06393	1.5
109.10141	7.3
111.07992	1.2
115.03817	1.1
115.05331	1.3
117.07001	8.0
119.08562	11.4
121.06416	0.7
121.10121	6.9
123.07970	1.1
123.11712	2.5
125.09509	1.3
127.03881	2.6
128.06200	2.0
129.06985	8.8
130.07715	0.5
131.08545	11.8
132.08832	0.4
133.06386	0.6
133.10109	8.8
135.07924	1.2
135.11688	4.4
137.09503	0.6
137.13130	1.1
139.11093	0.5
141.06967	4.6
142.07753	2.2
143.08540	12.8
144.09224	0.8
145.04889	0.8
145.06393	0.4
145.10110	11.8
147.08011	0.4
147.10606	0.4
147.11655	5.4
149.09456	1.0
149.13135	1.8
153.06889	1.2
153.09077	0.5
154.07626	1.1
154.38960	0.4
155.07343	0.6
155.08524	9.1
156.09210	1.7
157.08896	0.7
157.10098	10.6
158.10730	0.5
159.11670	8.1
161.09479	0.6
161.13252	2.8
163.11115	1.0
163.14711	1.4
163.16011	0.4
165.06886	1.1
166.07736	0.9
167.08548	5.0
168.09181	1.4
169.10107	11.7
170.10698	0.7
171.11662	10.3
172.12225	0.4
173.09682	0.7
173.11844	0.5
173.13214	5.4
175.11179	0.5
175.14705	1.7
177.12709	0.5
177.16307	0.5
178.07849	0.5
179.08455	1.8
180.09268	0.8
181.08624	0.7
181.10078	6.9
182.10814	0.9
182.59386	0.4
183.11665	12.4
184.12195	0.4
185.13240	7.6
187.11113	0.4
187.14818	3.3
189.16257	0.9
191.08472	0.9
193.10136	3.1
194.10768	0.9
195.11693	7.0
196.12408	1.0
197.13223	9.3
199.11086	0.6
199.13113	0.5
199.14795	5.5
201.16264	1.5
203.17856	0.5
205.10057	1.1
206.10693	0.6
207.11694	3.7
208.12268	0.6
209.13214	6.9
210.13847	0.7
211.14789	5.7
213.16408	3.4
215.17853	0.9
219.11552	1.2
221.13248	2.8
223.14769	5.2
224.15320	0.6
225.16374	3.7
227.14241	0.5
227.18152	2.0
228.90388	0.5
229.16092	0.5
229.19472	0.4
231.13763	0.6
231.17427	0.5
235.14900	2.2
237.16348	2.8
239.14197	0.6
239.18033	2.4
241.19391	1.1
247.14696	1.4
249.16418	2.1
251.17995	2.3
253.19421	1.3
257.18933	1.0
259.14722	0.7
259.20544	0.8
263.17798	1.7
265.19397	1.7
267.17233	0.5
267.20969	0.7
271.20529	0.5
275.17807	1.0
277.19376	1.0
279.17505	0.5
279.20956	0.7
281.22528	0.7
283.20190	0.6
293.18964	0.7
293.22366	0.4
297.21902	0.8
299.19922	0.7
307.20514	0.7
307.24045	0.5
309.22025	1.0
309.25830	0.5
311.20053	0.6
311.23523	0.7
313.21439	0.5
321.21890	1.0
323.23550	1.0
325.21408	0.6
325.25183	0.6
327.23035	0.8
335.22934	0.5
335.26364	0.6
337.25122	0.9
339.26865	0.8
341.24622	0.7
347.23355	0.6
349.25055	1.3
351.22864	0.7
351.26715	1.7
353.24628	0.8
363.26727	1.1
365.28299	1.0
377.28354	0.9
379.25748	0.6
379.30042	1.0
381.27866	0.8
391.29987	1.1
393.31656	0.9
395.29593	0.7
405.31198	0.8
417.31366	0.5
419.33481	0.5
433.30322	0.5
447.32300	0.7
449.34549	0.5
452.58755	0.4
459.31094	0.5
461.33908	0.7
473.32886	0.5
475.35678	0.6
494.92474	0.5
499.39417	1.0
501.35858	0.6
503.35681	0.5
507.33609	0.5
511.33966	0.6
513.36151	0.7
515.37927	1.3
517.40411	6.2
521.36023	0.9
523.37579	0.7
525.35394	0.9
527.37268	0.7
529.39764	0.6
535.41724	3.4
539.37134	2.3
540.37872	0.9
541.38934	0.7
553.41809	0.6
555.40436	0.9
567.40216	0.7
573.42908	0.9
591.43939	7.2
607.43781	3.3
609.45038	100.0
610.45685	4.3
621.45111	1.5
633.44940	0.5
645.43738	0.5
651.46045	1.1
699.45734	1.0
717.47137	1.7
735.47382	1.1
753.48767	1.7
754.48938	0.7
771.50244	19.2
772.49915	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99181	1.7
55.01865	12.0
55.05271	3.0
55.05503	33.0
56.96539	1.5
57.03429	24.7
59.04715	2.0
59.04990	30.4
61.02915	2.5
63.07516	1.7
65.03945	4.0
67.05495	100.0
67.69805	1.8
69.03432	9.9
69.07053	16.5
70.03769	1.9
71.01336	2.4
71.04985	20.9
71.70831	2.4
73.02888	2.1
76.89507	1.6
78.55195	1.6
79.05479	60.3
81.03406	99.6
81.07043	53.8
81.07449	1.1
83.04967	16.2
83.08605	29.9
84.08138	2.2
85.02895	10.4
85.06513	6.6
86.09695	2.1
87.04449	29.8
91.04916	3.5
91.05463	55.1
92.05751	1.6
93.06435	1.8
93.07026	33.5
95.04393	3.2
95.04957	42.1
95.08591	21.3
97.02870	12.1
97.06516	12.3
97.10159	20.4
99.04423	11.9
99.08017	2.6
103.05450	20.3
105.07011	32.9
107.04919	17.8
107.08585	29.0
109.02881	2.1
109.06488	8.9
109.10141	48.4
110.09659	3.7
111.04432	8.7
111.08071	13.5
113.05920	2.7
115.05419	4.0
117.07041	12.4
119.08557	27.2
121.02795	3.1
121.06450	11.2
121.10120	22.6
123.04404	6.7
123.08041	6.8
123.11658	1.9
125.05930	3.1
125.09577	14.7
127.03915	2.5
127.07565	2.2
128.06224	3.4
129.06984	18.1
131.04916	27.1
131.08537	23.4
133.06465	8.3
133.10115	13.7
135.04433	10.1
135.08023	6.9
135.11705	8.7
137.05965	15.3
137.09602	4.3
141.06979	2.8
142.07750	2.8
143.08507	4.9
145.06442	4.0
145.10097	10.6
147.04413	7.4
147.08005	7.2
147.11642	18.6
149.05949	3.8
149.09592	27.3
151.07614	2.2
153.05440	2.2
153.09087	5.9
153.12762	9.4
155.08490	3.5
155.10684	2.2
157.10083	17.5
159.11685	4.3
161.05963	21.8
161.09512	3.3
163.03888	4.9
163.07510	3.0
163.11163	16.3
165.12735	4.9
167.07172	1.9
167.08533	2.8
167.10602	2.7
168.10176	2.4
171.11627	2.3
173.02257	2.0
173.05969	2.8
173.09518	4.0
173.11768	11.2
173.13028	3.0
175.11125	20.3
176.11610	1.9
177.05458	3.1
181.12151	9.0
183.11736	2.6
184.07256	4.4
185.13272	3.5
187.11160	2.9
189.09639	2.1
189.11200	10.2
189.12708	3.1
191.06854	1.9
191.10620	7.6
193.12196	59.8
195.11691	2.0
197.15417	1.8
199.13278	8.1
201.12801	3.0
203.14273	3.4
205.12247	2.5
207.13763	4.0
209.11650	13.4
209.13290	1.8
211.11215	4.3
211.13237	46.8
213.12677	3.6
215.10660	2.1
217.12233	3.5
219.13669	2.2
221.15350	2.9
223.13063	3.3
225.14803	12.8
227.12740	20.1
229.12294	3.5
229.14297	37.9
231.13774	4.2
233.11768	2.0
235.13231	3.6
241.14351	4.5
247.13251	9.5
249.14784	15.4
251.12804	1.9
259.13196	3.9
263.16479	2.5
267.15872	65.1
271.13666	1.9
273.14807	3.6
283.15347	16.8
289.14276	2.3
295.15500	2.4
299.18622	2.5
301.14175	3.2
315.18213	3.6
323.10828	5.7
323.61151	2.6
337.21561	6.4
355.22504	11.7
365.20996	12.8
367.83057	2.0
373.23697	6.1
383.22073	34.1
401.23157	21.5
415.24728	5.7
419.24036	2.2
421.25864	23.4
433.25766	7.9
436.16486	4.0
447.27063	2.2
457.25439	5.6
475.26920	25.6
489.28171	3.2
493.27780	6.7
507.29459	17.7
525.30450	5.7
529.27155	2.3
610.35095	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	772.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	10.3
55.05503	38.6
57.01638	1.1
57.03429	22.0
57.07070	1.9
57.81172	1.1
59.04988	23.8
60.34217	1.3
65.03931	3.7
67.05495	89.0
67.22819	1.4
69.03420	8.2
69.07055	16.9
69.39115	1.2
70.06519	1.3
71.01343	2.3
71.04981	22.5
71.70756	2.0
73.02896	2.3
74.24421	1.5
77.30943	1.3
79.05482	52.7
80.05808	1.4
81.03403	100.0
81.07043	51.0
83.04964	19.6
83.08603	31.5
84.08103	1.7
85.02890	10.4
85.06518	7.5
87.04446	27.5
89.00166	1.1
91.05464	49.7
93.07027	33.8
93.07585	2.7
95.04954	42.3
95.08588	20.0
97.02876	8.8
97.06522	11.1
97.10158	20.6
99.04446	12.1
99.08090	1.8
103.05430	2.6
105.03352	1.8
105.07014	29.8
107.04939	21.2
107.08577	25.5
109.02882	4.5
109.06493	12.5
109.10142	48.9
110.09681	2.7
111.04432	10.7
111.08053	11.7
115.03917	2.3
115.05424	2.7
117.06994	11.3
119.04929	1.8
119.08565	29.6
121.02842	1.7
121.06473	10.4
121.10119	22.7
123.04410	5.8
123.08039	6.8
123.11620	2.0
125.05987	2.3
125.09613	13.7
127.03908	1.3
128.06158	2.3
129.05457	2.3
129.06978	17.0
131.04893	2.1
131.08545	22.2
133.06470	7.0
133.10120	16.3
135.04399	7.6
135.08047	9.1
135.11671	9.0
136.07626	1.4
137.05956	6.7
137.09610	5.6
139.07472	1.6
139.11172	1.4
141.06989	1.3
142.07771	4.8
143.08525	4.7
143.10658	1.3
145.06444	4.4
145.10101	12.9
147.04404	5.7
147.08002	8.2
147.11653	20.4
147.30531	1.2
149.02382	1.2
149.05986	3.4
149.09605	21.3
151.07542	2.5
151.11122	1.7
153.09108	5.3
153.12680	9.5
155.08568	3.1
155.10678	2.7
157.06476	2.5
157.10118	17.3
159.08018	2.6
159.11662	3.5
161.05980	7.0
161.09660	2.6
161.13246	1.8
163.03886	4.2
163.07545	2.1
163.11163	17.0
165.12744	3.8
166.82849	1.4
167.10658	2.5
169.10088	3.1
171.08078	2.8
171.10211	1.3
171.11696	3.3
173.05942	2.2
173.09636	5.3
173.11754	10.4
173.13170	2.8
175.07556	2.0
175.11150	18.0
177.05579	2.7
177.12762	2.3
179.07059	1.5
179.10620	1.4
181.10036	1.8
181.12256	7.5
183.11650	1.9
184.07315	1.5
185.09741	1.6
185.13300	2.8
187.11256	1.7
189.09454	1.7
189.11217	8.2
189.12711	1.8
191.10616	7.7
193.12210	52.6
195.11819	1.7
197.09663	1.7
197.15349	3.0
199.11476	1.8
199.13191	8.4
201.12697	3.0
203.14302	4.0
205.12349	2.5
207.13815	1.6
208.36420	1.3
209.11681	12.3
211.11226	3.2
211.13240	40.5
211.15140	2.9
213.12749	1.8
217.14319	1.5
219.13843	4.0
221.15366	3.2
223.13213	4.0
225.14786	14.3
227.12694	18.8
229.12242	2.1
229.14297	34.8
231.13817	6.7
235.13222	6.0
241.14304	2.8
247.13213	7.0
249.14871	12.2
259.13138	3.1
263.16342	2.3
267.15878	59.5
273.14725	3.1
275.12799	1.9
277.14105	2.8
283.15405	9.8
289.14252	3.0
295.15668	1.7
299.18533	1.9
301.14255	2.4
309.17072	2.3
315.17972	4.0
319.20517	2.2
321.17078	1.8
337.21643	3.1
347.19867	2.0
355.22635	8.0
365.20975	8.6
373.23727	4.6
375.98959	1.4
383.22061	26.1
391.24786	1.4
401.23160	16.9
402.83563	1.3
403.24609	1.9
409.25729	2.3
415.24701	3.2
421.25830	23.3
433.25616	3.9
447.27539	3.3
457.25522	7.8
475.26849	18.8
489.28308	2.6
493.27759	5.7
507.29446	16.0
525.30939	6.3
668.08453	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	17.1
55.05503	44.1
57.03160	1.9
57.03425	26.9
57.07059	5.5
57.67194	1.4
59.04981	6.3
61.02911	11.9
61.30983	1.5
65.03912	5.3
67.05492	73.0
68.05817	4.4
68.93692	1.5
69.03405	12.9
69.07053	34.1
71.01318	3.8
71.04967	14.0
71.08601	3.5
73.02902	6.3
77.03912	1.9
79.05479	84.9
80.05789	3.6
81.03401	29.6
81.07040	89.8
82.07372	2.7
83.01318	11.3
83.04962	31.8
83.08602	30.9
85.02879	21.2
85.06526	5.7
85.21222	1.7
86.09666	3.0
91.03935	4.1
91.05461	81.9
91.06039	3.9
92.05781	3.3
93.07027	100.0
94.07365	4.3
95.04949	27.6
95.08586	41.9
96.05265	1.6
97.02879	17.6
97.06506	21.2
97.10143	7.7
98.09664	2.7
99.04406	6.0
99.08072	7.6
103.05422	3.5
105.04469	2.4
105.07009	77.5
107.04935	20.5
107.08569	53.1
108.08920	2.8
109.02861	3.7
109.06510	16.7
109.10150	21.1
111.04409	6.5
111.08070	9.5
115.05444	4.8
117.06998	31.3
119.07741	3.3
119.08559	55.3
120.08886	2.4
121.06461	10.8
121.10125	28.9
123.04427	2.6
123.08046	18.7
123.11674	3.6
124.99966	2.1
125.05965	2.7
125.09585	9.8
127.03894	5.6
128.06204	3.8
129.05441	4.7
129.06993	14.4
131.08545	31.5
132.09044	1.8
133.06512	3.1
133.10095	48.0
134.10483	4.7
134.51045	1.7
135.08061	9.1
135.11665	33.7
137.09596	6.2
140.18765	1.6
141.06921	2.3
143.08517	12.8
145.06444	3.7
145.10097	40.3
146.10414	2.7
147.08017	6.2
147.11653	26.7
149.09596	11.8
149.13225	13.2
151.11163	5.8
153.12706	4.8
155.08530	5.2
157.10118	8.9
159.11673	20.0
161.09645	5.0
161.13240	16.2
163.11154	38.1
163.14801	2.2
165.08997	2.2
169.10104	3.4
169.12114	1.9
171.11597	8.8
173.09589	4.6
173.13252	7.6
175.11151	2.9
175.14775	5.3
177.12692	5.4
179.14284	2.3
181.10001	2.0
181.12224	6.8
183.11646	3.0
184.07318	7.4
185.13206	7.5
189.11156	4.7
189.12698	2.1
191.10674	4.1
191.14247	1.7
193.12193	2.6
195.13768	5.5
197.13213	3.5
199.14803	3.7
207.13881	2.9
209.11649	16.9
213.16344	2.3
227.12718	14.7
231.20940	2.9
241.19437	12.1
253.14360	7.8
254.14658	4.3
257.18970	7.3
259.20526	33.6
267.15610	2.4
269.17386	12.5
272.18689	1.6
273.18417	2.1
274.18558	2.3
275.20029	19.5
277.21579	2.8
281.17386	3.7
283.15344	94.0
284.15689	6.4
291.19601	3.4
293.17935	3.0
293.21030	20.1
297.21979	4.0
315.23099	4.0
331.22885	2.1
333.24188	25.5
334.24414	1.9
349.23685	9.0
366.23328	2.9
367.24564	5.6
431.29312	1.8
441.45563	2.4
449.30170	3.7
467.31372	2.5
477.28326	34.4
478.28851	2.8
481.26813	2.9
489.28104	2.8
515.33160	1.9
523.34009	2.6
541.35126	28.5
542.35510	2.9
543.36237	2.5
557.34424	7.4
559.35815	6.4
574.34204	2.4
575.35303	16.7
610.45215	3.1
772.39087	7.7
773.40161	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	772.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.2
55.05501	20.5
57.03424	10.1
57.07050	1.4
61.02921	2.9
65.03930	3.1
67.05495	55.1
69.03427	8.6
69.07056	19.6
71.04967	6.7
71.70391	2.2
73.02889	1.4
79.05485	47.3
80.05828	1.6
81.03407	43.8
81.07043	62.0
82.07378	1.4
83.04967	20.3
83.08611	18.9
83.57722	1.5
85.02901	12.4
85.06534	6.9
86.09696	4.3
91.05466	61.7
93.07030	43.5
95.04956	25.0
95.08599	22.1
97.02876	5.3
97.06506	8.8
97.10149	6.4
99.04489	1.8
99.08060	1.8
101.06017	1.6
103.05482	3.0
105.07016	55.9
107.04948	14.8
107.07012	1.4
107.08043	0.9
107.08581	35.6
109.06516	9.8
109.10139	38.1
111.04427	2.4
111.08053	9.8
113.05988	2.9
115.05497	1.8
117.07010	13.3
119.04943	1.6
119.08555	27.5
121.06487	8.3
121.10130	13.0
123.04427	2.2
123.08055	6.3
123.11680	7.7
124.99996	3.8
125.09610	5.2
127.07578	2.1
128.06232	2.0
129.06972	10.3
131.08549	22.6
133.06454	6.1
133.10117	58.8
135.08018	8.0
135.11690	5.5
136.62364	1.3
137.09590	3.7
141.06963	1.1
142.07730	3.5
143.08543	6.7
145.06471	2.3
145.10080	12.5
146.10481	1.9
147.08055	6.0
147.11673	13.5
149.09612	10.4
151.11159	20.0
157.10118	13.1
159.08080	2.6
159.11676	5.3
161.09589	7.2
161.13271	3.1
163.11145	3.9
165.12743	2.3
169.10179	2.0
169.12233	4.4
171.11699	4.5
173.09587	1.4
173.13211	2.5
175.11125	13.7
175.14786	1.9
177.09113	2.7
177.12706	2.5
179.10617	1.8
181.10086	1.7
184.07350	15.1
185.13240	3.4
191.10638	2.0
193.12227	29.2
195.11787	1.5
197.13280	1.6
199.11134	1.6
209.11636	2.0
211.11241	2.2
211.13260	44.5
212.13628	1.2
215.12712	1.7
223.13210	2.5
227.12769	3.7
227.17926	1.8
228.63582	1.4
245.18944	4.2
249.14850	2.1
251.12837	4.2
253.14320	100.0
254.14691	1.7
255.17386	2.5
259.20523	1.3
263.20050	3.1
267.15878	16.4
271.15439	2.1
273.18451	22.4
275.20123	4.7
276.20438	1.4
283.15424	4.7
285.16916	30.3
291.19525	31.4
292.19797	1.9
309.20407	2.0
329.20901	1.7
333.24246	1.7
347.22101	8.5
349.23547	3.5
365.23178	28.4
366.23297	1.6
433.31192	2.5
463.26822	15.1
477.27902	2.2
481.27725	6.8
525.35516	5.6
539.33313	2.3
543.37030	8.7
556.36761	1.4
557.34540	25.2
558.34729	1.9
575.35608	41.5
576.35333	2.0
729.47919	1.4
767.82202	1.4
773.40240	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	15.1
55.05503	46.0
57.03420	20.7
59.04988	3.3
61.02908	4.7
65.03913	3.6
67.05138	3.8
67.05492	68.6
69.03423	14.2
69.07059	35.6
69.61270	13.3
69.61672	2.6
71.04972	8.6
78.25634	1.7
79.05015	3.7
79.05479	70.1
81.03405	36.2
81.07042	76.7
82.07365	3.4
83.01326	7.6
83.04959	25.3
83.08611	28.0
85.02889	16.2
85.06534	5.6
91.05465	61.8
93.07026	68.6
95.04953	18.7
95.08596	34.4
97.02880	10.8
97.06519	19.3
97.10152	18.5
98.21441	2.3
99.04443	5.6
99.08056	2.7
105.07011	46.2
107.04930	18.9
107.08570	52.4
108.08928	1.9
109.02852	3.7
109.06498	16.0
109.10130	13.9
111.04400	4.8
111.08055	7.2
115.05467	2.6
117.06988	24.4
119.08557	34.8
121.06480	8.8
121.10126	23.9
123.08058	12.2
123.11714	3.8
125.09596	14.5
127.03876	3.2
129.06969	7.3
130.07750	3.9
131.08551	21.5
133.10098	20.4
135.08066	9.9
135.11681	23.1
137.09590	5.2
142.07672	2.6
143.08507	4.2
145.06415	2.8
145.10097	31.1
147.08028	5.5
147.11700	13.8
149.09601	15.5
149.13242	7.3
151.11133	3.0
153.09200	2.0
153.12714	4.4
155.08516	5.8
157.10088	4.6
159.11678	11.4
161.13295	3.3
163.11165	36.3
167.05424	2.0
171.11633	1.9
173.04413	2.9
173.09560	5.1
173.13202	6.1
175.11143	2.7
175.83820	2.1
177.12730	4.9
179.14314	3.4
181.12184	5.7
183.11705	2.3
185.13234	2.6
187.11150	2.3
189.11194	8.5
191.10622	4.4
193.12213	5.8
195.13779	4.1
197.13290	3.0
209.11708	9.6
211.13202	12.6
223.13287	5.5
227.10654	3.8
227.12717	33.0
229.19432	2.1
239.17937	3.3
255.15887	8.0
257.18890	9.7
267.15936	7.0
269.17471	15.3
273.18387	2.6
275.20053	33.8
283.15332	100.0
284.15829	3.9
285.16901	10.4
291.19461	24.9
293.21130	3.2
331.22598	2.9
349.23682	34.5
365.23090	7.8
367.24887	2.5
395.20959	2.5
437.25168	4.9
453.24585	7.3
461.28946	2.6
463.26877	22.9
464.27573	2.2
477.28372	75.5
478.28714	3.5
539.33807	4.5
557.34601	45.2
558.34900	5.5
575.35620	19.2
621.32397	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	772.447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	11.6
55.05503	44.9
57.03203	1.2
57.03432	12.3
57.07060	1.6
59.04980	3.1
60.08143	1.4
61.02906	3.7
61.65004	1.0
65.03923	2.1
67.05498	39.6
69.03422	7.8
69.07058	13.0
71.01337	1.8
71.04974	4.6
71.44535	2.6
79.05481	51.9
81.03410	16.1
81.07047	37.6
81.07534	1.9
83.01325	4.5
83.04962	11.1
83.08608	26.0
85.02888	6.2
85.06536	1.5
86.09694	1.6
89.06001	1.3
90.10738	1.0
91.05468	32.5
93.06436	1.5
93.07033	38.6
95.04979	8.3
95.08589	16.7
97.02877	5.8
97.06525	7.9
97.10160	44.1
98.20744	1.2
99.04443	3.0
101.09671	1.5
105.06331	1.9
105.07018	33.1
107.04955	10.7
107.08579	61.1
109.02893	1.4
109.06520	8.6
109.10131	11.2
111.04433	3.5
111.08070	4.2
115.05443	1.2
117.07007	15.8
119.08565	20.3
121.06468	3.4
121.10120	13.9
123.08044	7.4
123.11650	3.4
124.99994	2.5
125.05904	1.4
125.09616	41.8
127.03897	4.7
128.06148	1.4
129.06982	3.2
130.07767	1.4
131.08553	14.6
133.10104	16.5
135.08034	8.4
135.11678	15.1
140.99683	1.1
141.06969	1.2
143.08533	3.6
143.10707	1.7
144.64255	1.3
145.06487	2.3
145.10103	29.6
146.74602	1.2
147.08008	3.2
147.11691	9.6
149.09625	6.7
149.13242	2.0
151.11156	1.8
153.09087	2.6
153.12698	3.0
155.08508	2.3
157.10112	2.7
159.11694	5.8
161.13245	2.6
163.11150	25.1
169.10092	1.1
171.10146	2.1
171.11586	2.4
173.09576	4.4
173.11812	1.2
173.13260	2.3
181.12209	4.5
183.11687	1.9
184.07272	6.2
187.11125	2.0
189.11203	21.2
191.10721	3.0
197.13231	2.4
199.16895	1.4
209.11661	7.0
227.12752	100.0
228.13028	1.6
229.19377	2.3
239.17924	3.0
255.15874	1.6
257.18985	9.2
259.20523	2.5
269.17349	2.9
272.17184	1.3
275.20029	40.0
275.23059	2.1
283.15369	72.4
293.21167	1.4
295.20700	1.9
299.14801	1.1
313.21585	3.2
331.22626	4.7
349.23669	37.0
352.65967	1.2
389.17914	4.4
453.24756	25.1
463.26703	3.6
477.28323	6.5
483.30927	1.8
524.02893	1.3
539.33521	8.4
557.34686	64.2
558.34717	3.4
575.35614	5.1
597.28674	2.9
652.24432	1.2
668.00531	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	14.6
55.05233	1.8
55.05500	30.2
57.03426	18.3
57.07060	4.0
59.04978	4.4
59.76244	1.2
61.02903	4.6
65.03912	3.1
67.05492	54.7
69.03416	8.9
69.07058	23.9
69.43770	4.6
69.44188	8.6
71.01313	1.1
71.04978	7.9
73.02884	1.4
79.05482	64.1
81.03407	23.4
81.07040	71.6
83.01327	8.4
83.04965	20.7
83.08605	22.8
85.02886	9.1
85.06512	4.7
91.05469	47.9
93.07029	70.1
95.04953	18.4
95.08592	28.0
97.02858	7.5
97.06519	15.9
97.10147	4.8
98.20654	2.6
99.04411	4.4
99.08057	4.4
103.05464	1.6
105.06333	2.1
105.07017	34.6
107.04942	15.9
107.08578	38.0
109.02857	2.1
109.06509	12.9
109.10125	11.5
111.04402	2.8
111.08075	7.4
113.62956	1.3
115.05443	1.4
117.07007	17.5
119.08557	26.1
121.06490	7.1
121.10120	20.6
123.08052	11.7
123.11710	1.9
125.05913	1.5
125.09605	4.9
127.03949	2.6
128.06265	1.3
129.05443	2.1
129.06969	5.0
130.07713	1.3
131.08553	17.1
133.10118	22.1
135.08037	3.4
135.11662	24.8
137.09642	2.7
139.07576	1.6
143.08514	4.3
145.10112	24.1
147.08049	3.3
147.11635	6.9
149.09610	8.4
149.13234	13.2
151.11162	3.9
152.71004	1.2
153.12747	3.4
155.08498	2.4
157.10147	3.2
159.07961	1.5
159.11668	11.0
161.09587	2.5
161.13206	2.2
163.11150	28.3
169.10095	2.4
171.11646	1.7
173.04428	1.5
173.09567	4.2
173.13191	3.5
175.11101	2.1
177.12741	4.6
181.12196	3.8
183.11725	2.3
184.07355	3.1
187.14842	1.4
189.11182	1.8
191.10695	3.7
193.12178	2.3
195.13870	6.0
195.15358	1.4
209.11688	5.8
211.13211	3.0
227.12712	8.2
233.15373	1.4
239.17905	2.0
253.14476	2.7
255.15849	10.1
257.18927	4.1
267.15869	3.1
269.17413	26.6
273.18417	2.3
275.19965	12.2
283.15347	74.7
284.15717	2.0
285.16919	1.4
291.19495	3.6
349.23578	13.0
365.23221	1.4
367.24857	3.4
416.34879	1.6
458.47098	1.5
459.27402	2.0
463.26785	21.3
464.26645	1.5
477.28412	100.0
478.28778	7.2
557.34558	15.8
565.31909	1.7
567.48535	1.5
575.35773	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	772.5472
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49984	0.3
55.05502	0.5
56.05032	0.6
57.07089	0.4
58.69759	0.3
60.08156	6.2
62.78324	0.4
66.09001	0.3
67.05468	0.6
69.07050	0.5
71.07367	2.9
71.48779	0.7
78.53337	0.3
79.05464	0.3
79.73762	0.3
81.07073	0.6
86.09693	29.4
93.07033	0.4
97.10087	0.3
98.98452	2.7
104.10729	2.2
107.08568	0.5
112.75546	0.3
124.99986	20.1
134.47914	0.4
149.84471	0.3
184.07314	100.0
185.06209	0.3
185.07715	1.3
190.12503	0.3
194.60739	0.3
244.95096	0.4
289.18472	0.3
430.11548	0.4
439.07764	0.3
492.61792	0.5
546.53723	0.4
601.44263	0.8
751.31213	0.3
754.53802	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	773.5179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.6
55.05502	17.3
57.03415	11.8
57.07049	4.8
57.60588	2.9
61.02901	12.1
65.03923	3.6
67.05189	4.3
67.05500	53.4
69.03410	6.5
69.07066	18.7
70.13775	6.7
70.14191	12.5
71.04986	3.6
73.02895	5.4
73.97843	3.5
79.05482	46.5
81.07044	67.8
83.04946	4.4
83.08602	9.5
85.02886	13.2
91.03926	4.2
91.05463	49.3
93.07038	48.7
95.04946	8.0
95.08591	47.9
97.02875	8.2
97.06506	5.6
97.10118	5.4
103.69076	3.2
105.07018	39.0
107.08587	37.1
109.06509	5.6
109.10159	24.6
111.08092	4.4
117.06996	19.9
119.08566	39.6
121.10136	22.1
123.11705	5.6
129.06993	13.5
130.07912	3.4
131.08528	27.6
133.10107	29.4
135.11635	15.6
141.06927	4.5
143.08548	11.3
145.10086	29.3
147.11656	31.4
149.09528	3.4
149.13246	10.9
155.08519	3.9
157.10118	11.2
159.11674	21.4
161.13226	24.2
163.14790	4.2
169.10085	9.2
171.11664	16.6
173.13202	16.7
175.14813	9.7
183.11586	4.8
184.07362	4.9
185.13235	12.3
187.14792	7.1
189.12662	3.2
195.11697	4.6
197.13245	8.0
199.14822	6.9
201.16393	4.1
215.17844	4.1
216.94881	3.6
239.18079	4.5
241.19475	21.4
243.21046	3.5
257.18912	3.8
259.20541	44.5
261.22104	8.7
271.20502	4.4
273.18250	3.9
301.21515	3.7
315.23038	4.2
333.24139	26.3
335.25720	50.6
345.23703	3.2
375.83749	3.2
449.60007	3.3
519.41931	6.4
576.76294	3.8
593.45428	10.0
611.46606	100.0
612.46802	7.7
719.49164	4.9
755.50446	6.2
773.51099	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	773.5187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.8
55.05274	1.8
55.05508	25.7
57.03434	13.1
57.07071	3.9
61.02917	16.3
65.03925	5.0
67.05496	86.1
69.03421	10.3
69.07055	24.8
69.49194	16.8
71.01344	1.9
71.04981	4.5
71.08633	1.9
73.02901	6.3
79.05023	2.0
79.05486	56.6
81.03391	6.3
81.07047	81.0
82.07372	1.8
83.04986	3.9
83.08620	11.5
85.02891	13.5
85.06534	3.8
91.03929	6.0
91.05464	57.8
93.07034	67.6
95.04960	9.4
95.08592	60.7
97.02872	10.9
97.06522	4.4
97.10155	4.7
99.08080	2.7
101.02335	1.9
105.07017	60.7
105.07716	3.8
107.04961	2.1
107.08582	36.4
109.02862	2.1
109.06506	4.4
109.10143	22.7
111.08048	2.2
117.07010	21.6
119.08563	44.4
119.09411	2.6
121.06509	3.0
121.10136	31.0
123.08056	3.2
123.11675	7.4
125.09578	2.5
127.03886	3.9
128.06186	3.0
129.05450	2.0
129.06978	12.9
130.07755	2.4
131.08548	31.0
133.10109	34.5
135.08034	3.8
135.11661	22.5
137.13284	2.7
141.06943	4.3
141.14354	1.9
142.07750	2.6
143.08556	15.3
144.09358	1.7
145.10101	32.7
147.08012	2.3
147.11655	33.3
149.09628	3.8
149.13229	9.9
151.11122	2.1
153.12840	1.7
155.08543	7.3
157.10123	16.6
159.11671	28.1
161.09618	1.9
161.13232	25.3
163.11183	3.4
163.14828	6.3
167.08492	2.2
168.09334	2.5
169.10150	9.6
171.08054	1.6
171.11673	16.4
173.13243	20.8
175.11250	1.9
175.14790	14.9
177.16121	1.8
181.10080	4.4
183.11696	11.3
185.13268	11.4
187.14774	8.5
189.12755	1.8
191.14287	1.8
193.10052	1.9
195.11688	4.6
197.13248	9.0
199.11125	1.7
199.14801	9.8
200.15303	1.8
201.16347	2.9
209.13255	3.9
211.14848	7.2
213.12766	1.7
213.16444	4.6
215.17961	2.6
223.14877	2.0
225.16393	2.8
227.17938	3.3
229.19484	3.1
231.20940	3.9
241.19571	22.2
243.21013	3.1
257.18912	7.8
259.20532	38.8
260.20938	1.7
261.22134	8.7
299.23682	1.6
301.21432	4.9
311.23752	1.9
313.21588	1.7
315.23160	2.3
325.21710	2.3
331.22806	2.8
333.24225	27.6
335.25775	72.0
336.26044	2.4
337.27582	4.0
343.22485	2.4
351.25525	2.4
363.25534	2.1
367.22629	4.9
375.25073	1.8
385.23773	3.3
403.24509	2.8
417.25708	1.7
441.26514	1.8
459.27240	1.8
477.27924	1.9
519.41797	5.9
537.43390	3.2
593.45276	10.7
609.44623	5.0
611.46582	100.0
612.47406	7.4
623.46771	4.1
635.46619	2.3
701.47119	6.4
719.48389	3.4
737.49579	4.6
755.50311	5.1
773.53149	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	773.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	1.2
55.05504	8.5
57.03426	4.0
57.07064	2.2
59.46453	0.4
60.24210	0.4
61.02915	13.7
61.50565	0.3
61.58941	0.4
65.03900	1.4
67.05493	18.3
69.03416	7.5
69.07055	8.6
70.02094	1.7
71.01314	1.0
71.04951	1.6
71.08588	0.8
73.02904	8.2
79.05037	0.5
79.05480	12.6
81.03403	3.2
81.07043	19.0
83.04935	1.4
83.08607	4.8
85.02383	0.6
85.02891	11.6
85.06496	0.8
86.09658	0.5
87.04424	0.6
91.03941	6.8
91.05463	11.7
93.07030	12.2
95.04911	1.9
95.08015	0.9
95.08590	14.0
97.02240	0.6
97.02869	11.0
97.06481	1.6
97.10144	2.7
99.04408	1.2
99.08056	0.7
101.02347	2.3
105.06342	0.7
105.07010	10.2
107.04856	0.4
107.08572	8.3
109.02846	0.9
109.06428	0.8
109.10141	6.2
111.08041	1.0
111.11686	0.5
115.03863	0.6
115.05407	1.0
117.06996	7.1
119.08556	8.7
121.10118	5.3
123.08045	0.7
123.11669	1.5
125.09553	1.0
127.03872	1.9
128.06175	1.8
129.06976	6.9
130.07722	0.5
131.08543	12.5
133.09189	0.4
133.10110	6.5
135.11667	3.0
135.22676	0.4
137.05878	0.5
137.09679	0.5
137.13251	0.6
141.06944	2.5
142.07727	1.6
143.08530	10.3
144.09264	0.5
145.04924	1.0
145.10100	9.4
147.11662	4.7
148.54349	0.4
149.13199	1.9
153.06956	0.8
154.07759	0.9
155.08525	5.9
156.09058	0.4
157.08871	0.6
157.10100	9.4
159.11662	7.7
161.13232	2.0
163.11165	0.7
163.14813	1.0
165.16321	0.4
166.07706	0.5
167.08566	2.3
168.09210	0.7
169.10098	6.9
171.10185	0.5
171.11658	7.6
173.13239	4.3
175.11137	0.6
175.14792	1.3
177.16328	0.6
179.08505	0.8
181.10049	3.3
182.10912	0.6
183.11659	6.6
184.07330	0.9
184.12372	0.5
185.13213	6.1
187.14795	2.2
189.16290	1.0
193.10040	1.1
195.11685	3.3
197.13252	4.9
199.13280	0.6
199.14821	4.2
201.16335	1.6
203.17892	0.9
207.11742	1.2
209.13258	2.2
211.14786	3.3
213.16371	3.7
215.17941	1.4
215.97098	0.5
221.13106	0.9
223.14804	1.9
225.16429	2.8
227.17960	2.5
229.19496	1.3
231.21109	0.6
233.13263	0.5
235.14743	0.8
236.29192	0.4
237.16338	1.2
239.17865	2.0
241.19504	1.7
243.11623	0.5
243.21013	1.0
247.14850	0.6
249.16283	1.0
251.17929	1.0
253.19469	1.0
255.21103	1.0
257.18872	0.7
257.22668	0.5
267.20975	1.2
269.18945	0.5
269.22607	0.9
277.19522	0.4
279.20889	0.6
281.22604	0.6
283.20459	0.5
285.22079	0.5
287.20062	0.5
295.23972	0.6
297.21985	1.2
309.22083	0.8
323.23798	0.6
325.25305	0.8
327.23099	0.6
327.26834	0.5
337.25156	0.4
339.26663	0.8
351.26685	0.5
353.24341	0.6
353.28336	1.1
367.29971	0.6
381.31677	0.8
383.29846	0.4
393.31534	0.7
395.28754	0.7
405.31805	0.5
407.29053	0.6
409.30713	0.5
421.30151	0.6
440.30011	0.4
449.33835	0.9
451.35306	0.6
475.34256	0.5
501.41174	1.1
515.37402	0.9
519.42053	5.0
527.37622	0.8
529.39502	0.6
537.43066	2.8
541.38660	1.0
569.42200	0.4
575.44354	0.8
593.45532	6.4
606.47491	0.5
609.44922	1.9
611.46600	100.0
612.46967	8.3
623.46448	1.0
665.47461	0.5
701.48584	0.5
725.34412	0.5
737.49567	1.1
752.83331	0.6
755.50653	1.3
773.51715	14.0
774.51947	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.9
55.05504	19.8
57.03434	11.5
57.07053	4.4
61.02918	12.2
65.03940	2.9
67.05493	54.9
69.03419	8.1
69.07056	19.3
70.13632	3.6
70.14050	7.7
71.04978	4.3
73.02894	7.7
79.05478	45.7
81.03399	9.3
81.07045	53.2
83.04961	3.7
83.08592	8.9
85.02895	13.7
85.06537	2.3
91.03936	7.4
91.05465	43.2
93.07032	62.2
95.04950	7.8
95.08600	39.4
97.02852	9.6
97.06495	4.6
97.10148	4.9
98.21390	3.0
99.08089	2.9
105.07014	39.8
107.04967	2.7
107.08581	29.9
109.02890	3.1
109.06512	2.5
109.10136	12.6
117.07004	12.8
119.08559	37.9
121.10125	22.5
122.91429	2.0
123.11709	6.6
127.03898	5.2
128.06187	3.9
129.06979	9.2
131.08533	26.4
133.10126	28.6
135.11674	17.3
142.07738	2.3
143.08562	12.4
144.16925	2.1
145.10114	28.8
147.11653	23.9
149.13226	10.9
155.08531	6.7
157.10086	13.4
159.11659	21.4
161.13242	14.6
163.14767	2.9
169.10062	8.1
171.11656	13.4
173.09502	2.1
173.13232	15.2
175.14767	12.2
177.12628	3.3
181.10130	3.1
183.11708	7.9
185.13206	7.7
187.14801	7.9
189.16408	2.9
195.11731	4.3
197.13310	7.1
199.11264	2.8
199.14841	7.6
201.16406	2.8
203.14398	2.3
209.13284	3.7
211.14838	4.4
215.17963	2.4
223.14706	2.8
231.21078	2.8
239.17934	2.6
241.19521	16.4
257.18951	6.5
259.20532	27.0
261.22067	6.8
275.19974	3.1
301.21445	3.8
306.21393	2.4
308.56982	1.9
333.24146	22.1
335.25690	35.2
343.22403	2.4
357.23807	2.4
367.22610	4.5
375.25516	3.2
385.23792	2.8
519.42029	4.7
537.42975	3.0
541.38782	3.3
593.45459	7.9
609.44781	3.2
611.46521	100.0
612.46869	7.3
677.46289	2.6
719.48340	3.0
737.49237	2.6
755.50574	3.7
773.50885	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	773.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01794	1.9
55.05440	10.4
55.05725	1.0
57.03360	5.4
57.03668	1.1
57.07004	3.1
61.02850	12.6
61.03188	1.0
61.91030	0.5
65.03873	1.4
67.05423	25.0
67.05817	1.8
69.03345	7.7
69.06986	11.2
69.07389	0.8
69.76998	1.3
69.77428	2.2
71.01275	1.5
71.04910	2.2
71.08553	1.3
73.02898	6.5
77.03853	0.6
79.05479	15.4
81.03410	10.2
81.07041	28.1
81.07471	1.5
83.04896	1.8
83.08610	8.3
85.02888	11.5
85.06465	1.3
87.04423	0.6
91.03941	7.3
91.05460	15.4
93.07030	18.6
95.04951	5.3
95.08588	19.9
96.08897	0.7
97.02880	11.0
97.06515	2.6
97.10143	3.4
98.20692	0.9
99.04411	1.2
101.02275	1.9
103.05402	0.7
105.07011	15.0
107.04855	2.1
107.08582	12.1
107.09244	0.5
109.02850	0.9
109.06411	1.8
109.10139	10.2
111.04360	0.9
111.07970	2.0
115.03882	0.5
115.05353	1.6
117.07009	8.6
119.08560	13.3
121.06415	1.1
121.10136	8.0
121.23105	0.5
123.04381	0.5
123.07961	1.8
123.11611	2.3
124.99889	0.6
125.09509	1.5
127.03796	1.9
128.06186	2.5
129.06984	7.7
130.07695	0.8
131.08543	14.9
133.06398	0.7
133.10107	9.9
135.07956	1.2
135.11665	5.4
137.09517	0.8
139.11017	0.8
141.06952	3.6
142.07680	1.5
142.56601	0.5
143.08548	10.8
144.09171	0.6
145.04863	0.6
145.10106	14.2
147.11668	5.2
149.09459	1.2
149.13144	2.1
151.11052	0.5
153.07019	0.5
154.07678	1.2
155.08508	6.7
156.09290	1.0
157.06407	0.5
157.10098	10.9
159.10403	0.7
159.11653	10.0
160.46785	0.6
161.13240	3.5
163.11063	1.2
163.14729	0.9
165.12704	0.8
166.07637	0.5
167.08487	2.6
167.17824	0.5
169.08856	0.6
169.10098	8.8
170.10838	0.5
171.10429	0.7
171.11667	9.2
173.09535	0.5
173.11850	0.7
173.13222	6.3
175.11038	1.1
175.14720	2.1
177.12712	0.7
177.16299	1.4
179.08481	1.2
181.10078	4.3
183.10181	0.6
183.11659	8.5
184.07224	1.7
185.09602	0.6
185.13243	5.7
187.14804	3.3
189.16275	1.8
191.17885	0.6
193.10037	1.7
193.12132	2.1
195.11641	3.8
197.13217	5.5
199.13152	0.8
199.14763	4.8
201.16296	2.3
207.11621	1.2
209.13162	2.8
211.14793	4.5
213.16396	3.2
215.14316	0.6
215.17816	1.7
219.11601	0.6
221.13089	1.7
221.15131	0.7
223.14819	3.0
225.16336	2.5
227.12540	1.2
227.17987	3.0
229.19423	2.0
231.21156	0.7
233.18991	0.6
235.14723	1.4
236.71552	0.5
237.16246	1.8
239.17853	2.2
241.19440	1.7
243.20992	1.3
249.16347	0.9
251.17911	0.9
253.19395	1.6
255.21164	1.2
257.18774	0.6
261.22061	1.9
265.19467	1.0
267.15796	7.3
267.20782	0.7
269.18762	0.6
269.22687	0.6
273.18243	0.6
279.20889	0.8
281.18994	0.6
281.22620	1.2
295.20477	0.7
295.24179	0.6
297.22198	0.9
299.20093	0.7
299.23492	0.8
306.33496	0.5
309.21573	0.6
311.23456	0.9
313.21817	0.7
313.49594	0.5
325.24951	0.7
335.25851	7.7
337.24872	0.9
339.26834	1.3
339.43045	0.5
343.26218	0.8
365.28366	0.7
375.26523	0.6
379.29962	0.6
381.31558	0.7
393.31610	0.6
419.27872	0.6
421.31030	0.8
433.29993	0.7
435.32513	1.0
449.34097	0.8
453.33517	0.6
501.41052	1.1
515.37482	0.7
517.39581	0.9
519.41882	6.4
523.38617	0.6
527.37402	4.2
529.39423	1.1
537.42761	3.1
541.38373	0.9
543.40002	0.7
545.38165	3.1
557.43201	1.0
565.42291	0.6
575.44202	0.9
593.45520	5.5
609.45068	3.0
611.46588	100.0
612.46991	5.5
621.83264	0.7
653.47137	1.0
677.47766	0.7
719.48322	0.8
737.50189	1.5
755.50635	2.1
773.51776	17.2
774.52765	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	8.0
55.05503	35.2
57.03428	25.3
57.07053	3.5
59.05006	1.8
59.33552	1.3
60.51535	1.5
61.02908	4.9
62.36410	1.3
64.00123	1.4
65.03917	4.7
67.05495	81.6
67.86411	1.4
69.02924	1.1
69.03064	1.5
69.03419	13.2
69.06689	1.8
69.07055	30.8
69.88258	1.3
70.82974	4.4
71.04984	10.0
74.64703	1.3
76.45332	1.4
79.05482	70.5
80.05804	2.3
81.03404	85.6
81.07040	100.0
82.07368	1.6
83.04963	27.8
83.08607	36.4
85.02892	35.1
85.06506	5.5
86.09676	3.4
91.03931	1.9
91.05466	78.5
92.05796	1.6
93.07027	68.5
95.04951	38.9
95.08589	36.6
97.02329	1.5
97.02879	9.6
97.06504	17.5
97.10163	9.8
99.08080	4.7
103.05427	2.2
105.07006	55.0
107.04941	14.7
107.08575	37.6
109.02863	2.0
109.06493	12.9
109.10112	11.9
111.04395	4.8
111.08064	13.7
113.06009	2.9
115.05438	2.7
117.07001	18.4
119.08553	41.2
121.06485	4.3
121.10118	24.7
123.08029	5.7
123.11674	6.7
124.99972	2.1
125.09583	5.2
127.03831	3.1
129.06996	19.3
131.04877	1.6
131.08536	28.6
133.06436	5.0
133.09167	2.3
133.10101	29.6
135.08006	5.9
135.11664	15.4
137.09563	4.7
139.11098	1.9
141.06958	2.1
142.07764	5.4
143.08505	5.5
145.06444	1.5
145.10085	11.7
147.08006	4.9
147.11664	26.0
149.09608	17.8
149.13213	12.3
151.11137	2.7
155.08527	3.0
157.10089	19.7
159.11639	14.1
161.13232	2.9
163.11122	7.3
165.12700	5.5
169.10080	2.9
171.11627	2.6
173.04427	2.9
173.13191	4.3
175.11157	16.7
177.12669	4.0
179.14371	1.4
181.12177	1.5
184.07295	8.5
188.75542	1.6
189.11220	2.3
193.12207	50.5
195.13808	8.4
211.13254	75.2
225.12302	1.6
227.12700	4.0
229.14301	2.2
247.20618	2.0
249.14748	1.6
255.15878	11.6
257.18927	5.7
258.84241	1.5
267.15878	34.0
269.17444	37.3
275.20010	19.9
285.16916	65.8
286.17252	2.0
331.22568	2.5
349.23709	19.3
367.24637	4.6
369.24286	1.7
430.78415	1.5
443.27658	2.9
447.27472	9.2
461.28922	34.9
465.28381	15.5
479.29974	90.5
480.30215	2.6
541.35095	9.3
557.90125	1.6
559.36066	17.3
577.36908	3.3
623.34021	1.8
775.37744	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	774.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	14.9
55.05500	45.2
57.03424	24.4
57.07067	2.4
61.02910	6.3
64.90514	2.3
65.03915	5.1
67.05492	73.2
67.09656	2.0
69.03424	10.3
69.07057	35.7
71.04973	9.5
71.16274	5.8
73.02888	3.4
79.05023	4.7
79.05477	84.0
81.03402	89.7
81.07039	100.0
83.04973	34.6
83.08598	36.0
85.02882	34.8
85.06522	5.4
91.05458	90.1
93.07024	71.0
95.04953	42.5
95.08584	45.6
97.02885	8.5
97.06513	24.6
97.10155	16.2
97.94392	2.1
99.08054	3.3
103.59306	2.2
105.04449	2.3
105.07011	69.5
107.04917	19.1
107.08569	45.9
109.02878	2.6
109.06516	10.3
109.10134	15.6
111.04429	4.9
111.08060	15.7
113.06034	3.6
115.05484	3.6
117.06994	18.9
119.08552	50.3
121.06506	5.1
121.10108	22.6
123.08081	6.0
123.11711	5.2
125.09612	12.2
127.03935	5.3
129.05493	2.7
129.07002	15.4
131.08545	36.7
133.06490	4.5
133.10110	38.8
135.08041	5.6
135.11693	13.8
137.09601	4.2
141.06995	3.7
142.07748	4.3
143.08530	4.0
145.10098	24.2
147.08028	6.2
147.11655	32.3
147.12729	3.2
149.09598	24.2
149.13222	11.2
155.08534	5.3
157.10121	25.7
159.11644	15.6
161.09578	2.8
161.13237	5.4
161.19450	2.1
163.11148	11.4
165.12752	5.9
169.10205	2.6
171.11646	3.3
173.13232	3.5
173.60713	2.5
175.11162	20.9
177.12656	2.7
179.14313	4.5
183.11646	3.3
183.13591	2.2
185.13432	2.9
187.11115	3.9
189.11179	8.3
193.12206	62.7
194.12645	2.3
195.13730	4.5
211.13245	95.8
227.12677	20.2
228.13118	2.4
229.19524	4.6
239.17874	5.1
255.15924	7.8
257.18924	13.4
267.15817	31.5
269.17368	21.6
275.20035	46.0
283.15399	2.4
285.16904	85.1
286.17349	3.6
293.21069	3.9
331.22699	2.8
349.23624	36.1
356.24567	2.6
367.24567	3.0
413.21722	3.6
437.25076	6.2
439.26971	3.3
447.27313	9.9
455.26523	4.9
460.68396	2.1
461.28873	19.7
465.28427	13.0
478.13498	2.5
479.29922	59.0
480.30307	4.7
541.35144	17.9
559.36139	49.0
560.36462	3.8
577.37146	7.4
607.58838	2.3
623.33923	3.8
663.39819	2.4
705.06915	2.7
790.56421	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	774.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	9.2
55.05499	39.1
56.32782	1.4
57.03422	21.4
57.07064	2.4
61.02908	7.5
65.03926	5.2
67.05489	74.9
69.03410	16.9
69.07051	30.8
69.97442	9.8
71.04973	14.0
71.08587	1.8
71.97945	1.8
73.02892	4.9
73.67953	1.9
74.09715	2.0
77.03918	1.6
79.05478	77.9
80.05820	2.7
81.03402	65.2
81.07040	88.5
83.04967	25.9
83.08601	33.5
85.02895	35.5
85.06527	4.3
86.09681	4.4
90.46629	1.9
91.03934	3.8
91.05463	100.0
92.05801	3.3
93.07025	70.3
95.04953	38.2
95.08589	42.0
97.02879	14.5
97.06506	15.8
97.10155	11.5
99.04456	3.4
99.08067	6.1
103.05441	3.0
103.68867	1.9
105.04519	2.5
105.07010	81.4
106.07393	2.1
107.04926	13.6
107.08569	38.1
107.09238	3.1
107.68568	1.5
109.02861	3.1
109.06505	13.9
109.10155	15.3
111.04430	5.6
111.08074	17.3
112.53019	1.8
113.06001	3.2
115.05443	4.3
117.06989	19.3
119.08554	58.5
121.06483	5.2
121.10112	33.0
123.08039	8.7
123.11713	6.0
125.00020	2.3
125.09593	9.0
127.03876	5.3
128.06133	3.9
129.05515	7.9
129.06975	20.5
131.08545	35.6
131.09554	2.0
133.06505	6.0
133.10103	46.4
134.10448	1.7
135.08029	5.9
135.11662	15.4
137.09612	4.1
141.07034	2.1
142.07773	4.9
143.08517	8.9
143.21538	1.5
145.10107	21.9
146.76831	1.9
147.08029	3.8
147.11664	40.3
147.12854	2.1
149.02391	1.6
149.09615	15.9
149.13203	14.6
151.11172	4.1
155.08542	3.3
157.10074	22.3
159.11642	20.2
159.86395	1.8
161.09624	2.7
161.13261	17.1
163.03911	3.1
163.11113	11.6
165.12737	5.6
169.10103	5.3
171.10423	2.1
171.11629	10.5
173.13223	12.2
175.11183	19.9
175.14772	4.0
179.14232	3.0
181.12299	2.4
183.11601	3.4
184.07283	8.9
185.13219	7.0
187.11169	2.7
189.11215	3.5
189.12706	2.3
189.16393	2.2
193.12206	58.2
195.13762	3.4
199.14749	4.7
201.12827	2.2
211.13249	58.0
211.15103	4.0
213.16580	1.9
217.15846	2.5
227.12834	5.5
231.21075	4.8
239.17889	2.2
241.19440	13.0
243.08363	3.1
257.18954	6.3
259.20529	35.2
261.22144	2.0
267.15839	25.9
269.17435	13.5
275.20001	15.3
281.17163	2.1
283.15335	8.6
285.16913	53.9
291.19400	2.4
293.21082	4.5
301.16513	3.8
315.23141	5.8
333.20428	2.2
333.24185	26.9
349.23682	7.5
433.30875	2.5
461.28940	5.7
465.20789	5.0
477.28635	2.5
479.29834	18.5
525.35590	10.9
541.35229	3.0
543.36707	26.1
551.27740	7.6
559.36285	11.2
577.37085	4.5
770.42816	2.0
774.41571	1.9
775.29260	2.8
775.42358	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.2
55.05267	1.7
55.05506	18.5
57.03431	18.4
57.07061	3.0
61.02908	3.6
65.03925	2.2
66.04679	1.2
67.05497	64.9
69.03429	5.1
69.07065	18.5
70.96760	2.7
71.04962	4.8
73.02902	2.8
73.75285	0.9
79.05021	2.1
79.05484	44.5
81.03408	87.8
81.07045	68.4
81.07548	1.6
81.43629	1.0
82.07365	1.5
83.04966	7.0
83.08611	25.8
85.02890	4.7
85.06545	3.1
91.03963	1.2
91.05466	38.3
92.06583	1.0
93.07031	53.3
95.04955	31.8
95.08594	50.9
96.08933	2.0
97.02885	4.7
97.06526	4.7
97.10152	9.7
99.04451	1.2
99.08087	2.0
103.05434	1.1
105.07014	28.9
106.06680	1.0
106.07349	1.3
107.04915	6.4
107.08575	30.3
109.06509	5.5
109.10147	20.2
111.04448	2.5
111.08074	7.6
115.05424	2.2
117.07013	9.4
119.08562	29.3
121.06494	3.5
121.10130	25.5
123.04408	1.5
123.08028	5.4
123.11691	8.9
125.09598	5.2
128.06247	1.4
129.06981	13.2
131.08543	23.5
133.06474	3.4
133.10109	17.1
135.08067	2.8
135.11670	14.2
137.09647	2.4
137.13208	2.0
142.07750	3.3
143.08536	4.4
145.10121	13.1
147.08014	3.1
147.11676	15.5
149.08585	1.0
149.09578	6.0
149.13225	7.7
151.11240	1.5
155.08536	2.4
157.10109	13.3
158.10579	1.1
159.11684	9.7
161.09573	1.7
161.13214	6.0
163.11156	3.2
163.14809	3.5
165.12761	3.7
169.10107	3.0
171.11644	3.8
173.11934	1.4
173.13245	7.1
175.11189	8.6
175.14827	2.8
177.12744	1.2
177.16377	1.7
183.11623	2.9
184.07301	1.9
185.13231	3.0
187.14804	3.7
189.11237	3.7
189.16350	1.7
193.12230	19.9
195.11499	1.0
197.13223	2.7
199.14847	2.0
200.15289	1.1
201.16364	1.9
205.12164	1.5
209.13245	1.3
211.13243	2.2
227.12717	6.5
235.13272	2.6
243.20988	6.7
249.14769	2.7
259.13330	1.5
259.20554	1.1
261.22116	20.6
267.15875	100.0
268.16330	3.0
279.23163	1.4
297.28296	1.1
301.25256	6.2
303.23120	1.3
309.16959	3.6
317.24792	4.2
335.25769	92.3
336.26129	4.6
359.25778	1.1
403.24524	1.6
421.25412	1.7
435.27563	1.9
435.32434	5.8
453.33539	6.4
471.34659	3.6
509.36218	2.0
527.37256	59.2
528.37628	3.0
545.38336	41.7
546.38641	3.2
559.39746	1.6
569.38013	4.4
569.75568	1.1
577.40582	1.4
611.46478	3.1
612.46948	18.1
635.39069	1.3
774.51373	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.8
57.03412	0.7
61.02915	0.8
65.03931	3.6
67.05475	1.8
69.03423	4.5
70.06566	1.2
71.04964	1.0
71.70474	0.5
73.02855	0.8
77.03896	0.6
78.04709	3.0
79.05482	2.5
81.03390	1.7
81.07031	0.9
82.04182	1.1
85.02452	0.5
85.02893	6.3
87.04439	0.8
89.03887	0.4
91.04916	0.6
91.05465	6.9
93.03356	0.9
93.07042	0.6
94.04131	0.5
95.04961	2.1
97.02894	2.1
97.06516	1.1
98.60355	0.4
99.04420	0.7
103.05460	2.7
105.07010	0.6
106.04167	1.0
107.04938	2.8
108.02069	1.0
109.02863	1.8
110.03623	1.8
111.04412	1.5
115.05445	6.6
117.03322	0.5
117.07007	9.6
119.04925	6.1
121.02845	0.7
121.06470	0.6
122.03644	1.1
123.04417	9.2
124.05210	2.7
125.05961	2.3
125.07173	0.4
127.03888	0.9
127.05414	1.7
130.04089	0.7
131.04868	2.0
132.05637	0.6
133.02827	1.2
133.06416	0.7
134.03612	0.9
135.04369	1.5
137.02319	0.7
137.05965	11.0
138.03107	0.8
142.02599	1.7
143.04916	1.5
144.05693	0.9
145.02789	0.9
145.06468	15.6
147.04385	6.8
147.08063	1.2
149.05949	1.1
151.03885	5.0
151.07504	1.6
152.04663	3.0
153.05421	1.2
154.06093	0.5
155.06012	3.8
155.07089	0.5
160.05156	1.4
161.05946	1.3
163.03876	3.4
163.07597	0.8
165.05452	1.8
167.07021	100.0
168.07333	1.2
171.04384	0.5
171.06488	3.4
173.05968	21.2
174.06561	0.5
175.07520	2.4
177.05443	0.6
179.06998	3.1
181.04935	63.5
182.05240	0.6
183.06508	0.7
188.04604	0.8
189.05426	0.7
191.07010	2.0
201.05455	1.5
203.06992	3.9
205.08601	6.6
207.06415	0.6
207.08282	0.7
207.10217	0.8
217.08575	0.9
219.06535	1.2
221.08005	1.0
222.06711	0.5
231.06396	0.8
233.08023	7.1
234.06657	0.8
234.08847	0.8
235.07460	0.7
235.09610	6.9
236.08250	0.6
250.06212	0.8
251.06934	0.6
255.10043	0.4
263.06958	0.6
265.08676	0.8
278.05453	0.6
279.06357	0.8
281.08246	0.5
282.08737	0.7
283.09616	0.6
293.08102	1.6
295.06363	0.5
295.09662	0.9
297.11084	2.1
299.09067	0.8
310.08405	1.2
314.11511	0.6
315.12570	0.6
325.10724	2.9
326.11536	1.1
327.08630	0.8
329.13702	0.8
342.10922	0.7
353.10370	1.4
355.11765	0.9
357.13300	6.7
367.11612	0.7
369.13287	0.7
385.12781	32.7
386.13361	1.7
387.14337	5.5
397.12830	1.9
399.14447	0.9
403.13931	1.5
415.13739	3.5
416.14551	1.1
417.15375	10.2
515.16638	0.6
565.20746	1.2
613.12756	0.7
613.22748	14.5
614.23175	0.9
775.27911	20.6
776.28180	1.0
803.93762	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.8
57.03412	0.7
61.02915	0.8
65.03931	3.6
67.05475	1.8
69.03423	4.5
70.06566	1.2
71.04964	1.0
71.70474	0.5
73.02855	0.8
77.03896	0.6
78.04709	3.0
79.05482	2.5
81.03390	1.7
81.07031	0.9
82.04182	1.1
85.02452	0.5
85.02893	6.3
87.04439	0.8
89.03887	0.4
91.04916	0.6
91.05465	6.9
93.03356	0.9
93.07042	0.6
94.04131	0.5
95.04961	2.1
97.02894	2.1
97.06516	1.1
98.60355	0.4
99.04420	0.7
103.05460	2.7
105.07010	0.6
106.04167	1.0
107.04938	2.8
108.02069	1.0
109.02863	1.8
110.03623	1.8
111.04412	1.5
115.05445	6.6
117.03322	0.5
117.07007	9.6
119.04925	6.1
121.02845	0.7
121.06470	0.6
122.03644	1.1
123.04417	9.2
124.05210	2.7
125.05961	2.3
125.07173	0.4
127.03888	0.9
127.05414	1.7
130.04089	0.7
131.04868	2.0
132.05637	0.6
133.02827	1.2
133.06416	0.7
134.03612	0.9
135.04369	1.5
137.02319	0.7
137.05965	11.0
138.03107	0.8
142.02599	1.7
143.04916	1.5
144.05693	0.9
145.02789	0.9
145.06468	15.6
147.04385	6.8
147.08063	1.2
149.05949	1.1
151.03885	5.0
151.07504	1.6
152.04663	3.0
153.05421	1.2
154.06093	0.5
155.06012	3.8
155.07089	0.5
160.05156	1.4
161.05946	1.3
163.03876	3.4
163.07597	0.8
165.05452	1.8
167.07021	100.0
168.07333	1.2
171.04384	0.5
171.06488	3.4
173.05968	21.2
174.06561	0.5
175.07520	2.4
177.05443	0.6
179.06998	3.1
181.04935	63.5
182.05240	0.6
183.06508	0.7
188.04604	0.8
189.05426	0.7
191.07010	2.0
201.05455	1.5
203.06992	3.9
205.08601	6.6
207.06415	0.6
207.08282	0.7
207.10217	0.8
217.08575	0.9
219.06535	1.2
221.08005	1.0
222.06711	0.5
231.06396	0.8
233.08023	7.1
234.06657	0.8
234.08847	0.8
235.07460	0.7
235.09610	6.9
236.08250	0.6
250.06212	0.8
251.06934	0.6
255.10043	0.4
263.06958	0.6
265.08676	0.8
278.05453	0.6
279.06357	0.8
281.08246	0.5
282.08737	0.7
283.09616	0.6
293.08102	1.6
295.06363	0.5
295.09662	0.9
297.11084	2.1
299.09067	0.8
310.08405	1.2
314.11511	0.6
315.12570	0.6
325.10724	2.9
326.11536	1.1
327.08630	0.8
329.13702	0.8
342.10922	0.7
353.10370	1.4
355.11765	0.9
357.13300	6.7
367.11612	0.7
369.13287	0.7
385.12781	32.7
386.13361	1.7
387.14337	5.5
397.12830	1.9
399.14447	0.9
403.13931	1.5
415.13739	3.5
416.14551	1.1
417.15375	10.2
515.16638	0.6
565.20746	1.2
613.12756	0.7
613.22748	14.5
614.23175	0.9
775.27911	20.6
776.28180	1.0
803.93762	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.7
57.03402	0.7
61.02880	0.4
65.03940	3.3
67.05453	1.2
67.35859	0.4
67.54873	0.4
68.68356	0.5
69.03422	3.0
71.04959	0.8
71.70852	0.8
73.02879	0.5
78.04324	0.4
78.04695	3.9
79.05481	2.6
79.05847	0.5
80.32756	0.4
81.03394	1.7
81.07030	1.1
82.04160	1.6
85.02886	6.3
87.04458	0.6
91.05463	6.0
93.07003	0.7
95.04941	1.5
96.38205	0.4
97.02877	2.4
97.06486	1.1
99.04427	0.5
99.22854	0.4
103.05448	2.8
105.03345	0.4
106.04170	2.2
107.04942	2.9
109.02829	0.6
110.03642	1.7
111.04408	1.3
115.05431	6.0
117.07000	10.2
119.04948	4.2
121.02807	0.5
121.06445	0.4
122.03606	0.5
123.03513	0.6
123.04411	9.1
124.05199	2.8
125.05956	1.9
127.03888	1.0
127.05411	1.8
130.04102	0.5
131.04904	1.3
133.02737	0.6
133.06462	0.8
135.04382	1.2
137.05954	7.0
138.03073	0.9
142.02600	1.8
144.05701	0.6
145.06468	15.8
145.14915	0.4
147.04395	5.8
147.08047	1.2
149.05988	0.5
151.03885	2.6
151.07521	1.4
152.04683	2.5
152.30698	0.5
153.05412	1.0
155.06015	4.0
157.06583	0.5
159.04428	0.4
160.05217	0.6
161.05951	1.4
163.03867	3.2
163.07492	0.7
165.05472	1.3
165.06795	0.5
167.07013	100.0
168.07344	1.4
171.06487	3.1
172.05156	0.6
173.05956	23.6
175.03818	0.5
175.07498	1.7
179.06975	2.4
181.04930	58.1
182.05289	1.0
189.05444	0.5
190.06198	0.7
191.07005	1.3
194.07166	0.8
201.05463	1.4
203.06989	3.2
205.08565	6.8
217.08687	0.5
219.06467	1.1
221.05966	0.5
221.08075	1.2
222.06668	0.7
231.06483	1.1
233.08066	6.7
235.07520	0.8
235.09604	7.4
250.06268	0.8
265.08630	1.2
267.10019	0.6
271.06091	0.6
280.07288	0.6
282.08902	0.6
283.09610	1.1
292.07333	0.6
293.08173	0.9
297.11218	1.4
310.08347	1.7
315.12650	0.6
325.10742	2.5
326.11310	0.5
327.08676	0.6
342.11029	0.8
353.10074	0.9
354.10941	0.6
357.13312	6.8
366.71323	0.4
367.11969	0.7
385.12766	33.9
386.13443	1.7
387.14383	6.0
397.12881	1.8
399.14197	1.2
399.28687	0.5
403.13977	3.0
415.13849	3.4
416.14658	1.2
417.15387	20.1
418.15530	0.5
565.20966	0.8
595.21423	0.7
613.22760	14.7
775.27948	21.0
776.28595	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	1.3
71.71626	0.8
79.05492	0.8
81.07073	0.5
85.58780	0.5
93.07031	0.8
95.62984	0.5
105.07007	0.7
107.08601	0.6
109.10162	0.7
133.10135	0.5
143.63512	0.5
481.18814	1.2
551.25812	0.9
775.40143	100.0
776.40289	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	775.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72456	0.4
55.01867	1.0
55.05275	0.5
55.05500	2.8
57.03426	2.1
61.02915	5.8
64.04247	0.4
65.03947	0.5
67.05498	6.9
69.03417	2.8
69.07050	2.2
71.01344	0.6
71.04986	0.7
71.71452	0.5
73.02901	3.8
79.05479	7.4
81.03399	2.6
81.07041	7.1
83.04977	1.7
83.08609	1.1
85.02896	4.5
85.06534	0.6
91.03946	3.1
91.05460	6.4
93.07026	7.0
95.04967	1.4
95.08596	4.1
97.02860	4.7
97.06553	1.1
97.10148	0.7
99.04424	0.9
101.02386	1.5
105.07018	4.9
107.04961	1.3
107.08559	2.5
109.02885	0.8
109.06533	1.3
109.10155	1.5
117.06995	1.2
119.08550	3.4
121.10154	1.4
123.08095	0.6
127.03934	1.7
129.07037	0.9
131.08578	1.4
132.36935	0.5
133.10109	1.8
135.11754	1.0
137.09584	0.4
143.08575	0.7
145.10139	1.3
147.11638	2.5
149.09618	0.5
149.13208	0.7
151.11229	0.5
159.11722	1.1
161.13339	0.7
163.11179	0.6
171.11711	1.3
173.13240	0.5
184.07382	0.5
185.04279	0.6
195.13940	0.5
203.05370	0.5
243.08342	4.1
245.39587	0.6
247.13138	1.7
276.20303	0.4
292.27325	0.5
297.69632	0.5
303.15576	1.0
333.20374	1.6
389.23004	0.6
439.19431	1.0
453.21127	1.3
461.13544	0.5
465.20877	9.2
466.21411	0.8
467.18848	0.6
480.29437	0.5
549.33929	0.5
551.28320	7.1
613.37354	0.5
677.35535	0.7
753.86359	0.6
757.36792	0.6
775.42163	100.0
776.42401	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	775.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.5
55.05505	2.6
57.03424	2.5
61.02914	6.2
61.97303	0.5
67.05493	9.0
69.03423	4.7
69.07057	4.2
70.77130	0.8
70.77471	1.4
71.01353	0.6
71.04984	1.5
73.02898	4.6
79.05486	8.5
81.03413	3.6
81.07045	8.3
83.04982	1.7
83.08626	2.6
85.02883	5.2
85.06555	1.0
86.09700	1.8
91.03941	3.6
91.05466	7.6
92.05812	0.6
93.07028	8.5
93.07583	0.7
95.04959	2.4
95.08578	4.2
97.02887	4.8
97.06534	1.4
97.10172	0.9
99.04449	1.5
101.02372	2.2
103.03957	0.8
103.33387	0.6
105.07014	5.8
107.04922	0.9
107.08578	3.7
109.02835	0.6
109.06534	1.3
109.10159	1.8
111.08057	0.6
117.07005	1.7
119.08560	3.9
121.06540	0.9
121.10165	1.8
125.00028	0.7
127.03922	1.9
129.07034	2.8
131.08591	1.9
133.10149	2.3
135.11693	2.0
137.09651	0.6
142.07733	0.8
143.08560	1.2
145.10104	2.2
146.10431	0.7
147.11685	3.2
149.09615	0.9
157.10117	0.6
163.11162	0.7
171.11722	1.9
184.07271	3.9
185.07732	0.7
242.67743	0.6
243.08284	3.7
243.10622	0.6
247.13118	2.0
291.19528	0.7
297.34235	0.5
333.20340	1.3
342.83002	0.5
381.75735	0.6
388.21085	0.6
423.13171	0.6
439.19250	1.1
452.97604	0.6
465.20908	9.6
551.28107	6.0
775.42181	100.0
776.42499	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	775.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
55.05501	1.6
57.03428	2.7
61.02917	4.6
61.88079	0.4
67.05494	5.8
69.03423	3.3
69.07058	2.7
69.67948	2.0
69.68362	1.1
71.01330	0.4
71.04977	0.9
72.61208	0.3
72.88184	0.4
73.02898	3.4
79.05482	6.2
81.03397	2.9
81.07046	5.4
83.04969	0.9
83.08595	1.2
83.49105	0.3
85.02892	4.6
86.09678	0.5
87.04472	0.3
91.03932	2.2
91.05470	5.8
93.07027	5.6
93.07587	0.5
95.04952	2.3
95.08596	3.2
97.02884	4.9
97.06541	1.1
97.10145	0.7
98.21422	0.6
99.04443	0.8
101.02363	2.7
105.07001	4.0
107.04974	0.8
107.08578	2.3
109.02872	0.6
109.06505	1.1
109.10146	0.9
117.07006	1.2
119.08540	3.2
121.10148	1.1
123.08093	0.7
125.09637	0.5
127.03903	1.3
128.06248	0.4
129.07013	1.3
131.08556	0.7
132.15616	0.4
133.10150	1.3
135.11676	1.1
137.09586	0.4
143.08553	0.9
145.04962	0.4
145.10107	0.9
147.11653	2.3
159.11633	0.4
161.13266	0.5
163.11177	0.4
171.11710	1.0
184.07373	0.8
185.04182	0.6
189.12781	0.5
243.08379	2.9
247.13139	1.6
303.15677	0.7
333.20258	2.1
335.69183	0.5
389.23065	0.5
439.19299	0.7
453.20975	1.2
465.20868	10.6
469.20154	0.4
498.95621	0.4
551.28198	5.6
775.42249	100.0
776.42664	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	775.5342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19636	0.9
55.01850	0.9
55.05510	6.9
57.03425	4.1
57.07055	2.8
61.02913	10.2
67.05192	1.1
67.05499	16.4
69.03417	5.8
69.07061	9.8
69.37717	10.5
71.04966	1.3
71.08604	1.9
73.02911	5.5
73.03278	0.9
74.45332	1.0
79.05479	10.3
81.03394	2.7
81.07042	19.1
83.08601	5.1
85.02884	9.1
85.06543	1.0
88.95619	0.8
91.03951	5.4
91.05459	7.3
93.07027	10.9
95.04938	2.4
95.08591	12.1
97.02876	7.5
97.06521	1.7
97.10144	2.5
99.04396	1.0
101.02361	1.5
104.87651	0.9
105.07013	10.7
107.08581	7.4
109.10136	5.2
117.06994	4.6
119.08547	11.2
121.10131	4.1
123.11626	0.9
127.03931	2.0
128.06235	0.9
129.06978	3.6
131.08560	11.3
133.10101	5.8
135.11661	2.4
141.06914	1.2
143.08534	5.6
145.10110	10.6
147.11694	4.2
155.08528	3.2
157.10081	4.3
159.11661	4.5
161.13196	3.2
165.09052	0.9
169.10127	2.8
171.11697	2.9
173.13297	4.4
175.14822	3.5
181.10080	2.0
183.11736	2.0
184.07367	1.6
185.13283	2.8
187.14810	3.3
195.11671	1.4
197.13219	2.3
199.14796	3.9
201.16283	2.7
209.13176	2.5
211.14850	1.4
213.16380	1.4
215.17813	1.1
225.16325	1.1
245.22693	0.8
249.08774	0.9
254.49792	0.9
255.21059	1.3
269.22736	0.9
307.19858	1.0
409.35406	1.0
521.43848	4.2
539.44086	1.6
548.52661	1.0
585.44928	1.1
595.47455	4.2
611.46234	1.5
613.48175	100.0
614.48633	5.6
739.51276	1.3
775.53564	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	777.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
55.05498	2.0
57.03429	1.7
60.08168	0.4
61.02925	4.4
66.11203	0.3
67.05500	5.4
69.03424	3.3
69.07060	2.2
69.91482	1.7
71.01342	0.8
71.04990	1.1
73.02906	3.0
73.09781	0.3
79.05485	4.8
81.03405	2.5
81.07045	5.6
83.01358	0.4
83.04980	1.3
83.08617	1.2
85.02903	4.4
85.06544	0.5
85.14368	0.4
86.09710	1.4
88.85390	0.3
90.79412	0.4
91.03952	2.7
91.05466	3.5
93.07036	4.6
93.07582	0.4
95.04952	1.5
95.08597	2.8
97.02882	4.2
97.06512	0.9
97.10183	0.7
99.04461	0.8
101.02346	1.7
105.07021	2.7
105.44337	0.3
107.04974	0.7
107.08588	2.8
109.02881	0.4
109.06501	0.7
109.10178	1.4
111.08077	0.5
115.03941	0.3
117.07034	1.1
119.08563	2.3
121.06547	0.7
121.10175	1.2
123.08127	0.9
123.11678	0.4
124.85717	0.3
125.00008	0.9
125.09633	0.4
127.03921	1.1
129.07031	0.4
131.08589	1.1
133.10085	1.6
135.08017	0.3
135.11653	1.8
137.09645	0.5
145.10094	1.8
147.08083	0.5
147.11670	0.8
149.09634	0.5
155.08586	0.4
157.10072	0.5
159.11691	0.4
161.13318	0.4
163.11165	1.8
184.07326	5.0
185.07697	0.5
243.08377	2.8
249.11057	0.3
275.20139	0.6
283.15536	0.4
291.19504	0.4
333.20422	1.4
369.15704	0.3
439.19406	0.6
453.20862	0.4
467.18839	8.2
468.18866	0.4
469.20206	1.8
504.34119	0.5
549.27161	0.4
551.28125	4.8
551.35870	0.4
777.40210	100.0
778.40509	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	777.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
55.05498	2.0
57.03429	1.7
60.08168	0.4
61.02925	4.4
66.11203	0.3
67.05500	5.4
69.03424	3.3
69.07060	2.2
69.91482	1.7
71.01342	0.8
71.04990	1.1
73.02906	3.0
73.09781	0.3
79.05485	4.8
81.03405	2.5
81.07045	5.6
83.01358	0.4
83.04980	1.3
83.08617	1.2
85.02903	4.4
85.06544	0.5
85.14368	0.4
86.09710	1.4
88.85390	0.3
90.79412	0.4
91.03952	2.7
91.05466	3.5
93.07036	4.6
93.07582	0.4
95.04952	1.5
95.08597	2.8
97.02882	4.2
97.06512	0.9
97.10183	0.7
99.04461	0.8
101.02346	1.7
105.07021	2.7
105.44337	0.3
107.04974	0.7
107.08588	2.8
109.02881	0.4
109.06501	0.7
109.10178	1.4
111.08077	0.5
115.03941	0.3
117.07034	1.1
119.08563	2.3
121.06547	0.7
121.10175	1.2
123.08127	0.9
123.11678	0.4
124.85717	0.3
125.00008	0.9
125.09633	0.4
127.03921	1.1
129.07031	0.4
131.08589	1.1
133.10085	1.6
135.08017	0.3
135.11653	1.8
137.09645	0.5
145.10094	1.8
147.08083	0.5
147.11670	0.8
149.09634	0.5
155.08586	0.4
157.10072	0.5
159.11691	0.4
161.13318	0.4
163.11165	1.8
184.07326	5.0
185.07697	0.5
243.08377	2.8
249.11057	0.3
275.20139	0.6
283.15536	0.4
291.19504	0.4
333.20422	1.4
369.15704	0.3
439.19406	0.6
453.20862	0.4
467.18839	8.2
468.18866	0.4
469.20206	1.8
504.34119	0.5
549.27161	0.4
551.28125	4.8
551.35870	0.4
777.40210	100.0
778.40509	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	778.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.4
55.10262	0.4
57.03434	3.0
65.03928	0.8
67.05501	0.8
69.03421	12.4
70.99363	1.0
71.04980	0.7
73.02911	0.7
75.04475	1.0
79.05480	12.0
80.44449	0.4
81.03403	10.1
81.07047	2.3
85.02888	7.9
87.04449	3.3
91.05475	9.5
93.07030	52.0
94.07377	1.3
95.04958	3.4
95.08605	1.6
97.02882	7.5
97.06506	0.6
99.04455	1.6
103.03960	0.5
103.05444	1.2
105.07013	9.6
107.04932	1.0
107.08575	9.0
109.02857	5.4
109.06488	1.2
111.04437	1.9
111.08069	1.4
111.26077	0.4
115.03915	2.1
116.06187	0.9
119.08563	11.5
121.06547	2.5
121.10126	86.2
122.10465	1.1
123.08051	2.1
123.11715	0.6
124.07610	0.5
125.05959	0.5
127.03894	3.7
129.05437	1.1
129.06956	0.6
131.08560	7.4
133.04926	1.3
133.06496	0.8
133.07501	0.6
135.04349	0.5
137.02370	0.6
137.05962	0.6
139.03874	1.7
139.11159	2.6
145.04951	2.3
145.10110	0.5
147.04391	0.7
149.09595	100.0
150.09953	1.5
163.03909	3.9
165.09062	0.7
167.06976	0.8
167.10657	22.0
177.05440	0.6
179.64545	0.4
182.83594	0.5
216.54840	0.5
274.34030	0.5
275.12680	0.8
283.15305	1.5
293.13803	12.1
311.14841	37.8
312.15033	0.8
449.18167	3.4
524.02277	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.0
55.05503	2.2
57.03431	3.8
59.04979	0.7
60.04514	0.8
61.02919	0.8
65.03915	0.6
67.05495	1.6
69.03418	25.2
70.03735	0.3
70.06567	0.4
71.01328	0.4
71.04987	1.6
71.70234	0.4
71.70614	0.5
73.02904	1.0
73.30097	0.3
75.04463	2.1
77.03917	0.6
79.05479	15.5
81.03405	14.5
81.07041	4.5
81.07474	0.4
83.04973	1.2
85.02892	13.3
85.95448	0.3
86.09705	0.3
87.04452	5.5
91.03924	0.3
91.05463	13.4
93.07029	70.0
94.07371	0.9
95.01294	0.3
95.04957	5.6
95.08589	2.0
97.02879	15.4
97.06493	0.8
99.04438	3.4
100.11275	0.5
103.03959	0.5
103.05447	1.0
105.04494	0.6
105.07004	10.0
106.07840	0.5
107.04967	0.8
107.08574	12.7
109.02864	7.1
109.03612	0.3
109.06507	1.5
109.99680	0.3
111.04417	2.0
111.08051	2.1
115.03914	7.4
115.05432	0.6
116.06210	0.9
117.07004	0.8
119.04934	0.5
119.08560	15.1
120.96595	0.3
121.02867	2.7
121.06532	2.7
121.10123	100.0
122.06846	0.3
122.09687	0.3
122.10413	1.4
123.04432	0.5
123.08054	2.7
123.11679	1.5
125.06001	0.9
127.03893	5.8
128.69237	0.3
129.05482	1.7
129.07001	0.9
131.08542	9.3
133.04950	4.7
133.06506	0.6
133.07590	0.9
133.10095	1.0
135.04390	0.6
135.07967	0.4
135.11734	0.3
137.05945	0.7
139.03889	0.6
139.07545	0.3
139.11160	3.9
143.08549	0.4
145.04932	3.7
145.10097	1.4
147.04439	1.4
147.06503	0.7
147.07990	0.6
149.09592	54.8
150.07590	0.8
150.09914	1.0
151.03873	0.6
151.11176	0.4
157.10135	0.5
159.11620	0.5
161.09575	0.5
163.03857	1.1
163.06004	0.4
163.11147	0.5
165.05408	0.3
165.09108	0.7
167.07002	0.6
167.10655	24.0
169.10048	0.4
174.51260	0.3
177.05392	0.5
185.13313	0.3
187.11212	0.4
189.08983	0.5
191.10583	1.8
210.14958	0.3
211.11063	0.3
212.09157	0.6
215.10789	0.4
229.12244	0.4
233.11601	0.4
241.06993	0.5
245.11763	0.8
247.13281	0.7
263.12518	0.3
265.14383	0.4
275.12747	1.2
281.13876	1.6
283.15323	2.3
293.13773	13.4
311.14841	40.1
312.15167	1.1
407.16861	0.9
425.17899	0.5
431.16946	0.5
437.17905	0.6
443.18890	0.9
641.90955	0.3
778.60583	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.7
55.05266	0.4
55.05492	1.7
57.03425	2.3
60.87489	0.3
61.02914	4.2
61.46459	0.3
65.03927	0.3
67.05495	4.6
69.03416	3.2
69.07053	1.8
71.01343	0.3
71.04980	1.3
71.71476	0.4
73.02904	3.9
79.05480	4.0
81.03402	4.9
81.07037	4.1
83.04959	1.5
83.08632	1.2
85.02889	5.9
85.06525	0.5
86.09711	0.9
91.03933	3.0
91.05463	3.9
93.07030	3.3
95.04964	2.3
95.08587	2.9
97.02872	4.8
97.06542	0.6
97.10173	0.6
99.04476	0.6
101.02357	1.6
101.90038	0.3
105.07006	3.8
107.04972	0.8
107.08565	2.3
109.02879	1.0
109.06551	0.9
109.10165	1.3
109.64889	0.3
111.08055	0.7
115.03925	0.3
116.90253	0.3
117.06992	0.5
119.08576	2.5
120.34144	0.3
121.10131	1.3
123.08047	0.7
124.99982	0.6
125.09675	0.5
127.03883	1.6
129.07014	1.0
131.08548	1.7
133.06522	0.4
133.10092	1.7
135.08086	0.6
135.11703	0.9
145.04936	0.3
145.10129	0.7
147.11664	1.6
149.09621	0.7
149.13258	0.4
157.10098	0.8
159.11775	0.3
163.03879	0.5
163.11206	0.7
163.84450	0.3
175.11266	1.0
184.07318	4.0
185.04248	0.5
185.07722	0.7
193.12262	1.3
211.13359	1.0
243.08371	3.5
251.12561	1.0
285.16882	0.3
301.09045	0.5
307.15198	0.5
331.67847	0.3
333.20355	2.4
369.15640	0.3
387.29102	0.4
433.80371	0.3
439.19028	0.8
453.21045	0.5
469.20367	10.1
470.20880	0.4
551.28259	3.3
572.29602	0.4
594.14313	0.4
625.02527	0.4
681.34668	0.5
779.41730	100.0
780.42126	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	779.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.7
55.05266	0.4
55.05492	1.7
57.03425	2.3
60.87489	0.3
61.02914	4.2
61.46459	0.3
65.03927	0.3
67.05495	4.6
69.03416	3.2
69.07053	1.8
71.01343	0.3
71.04980	1.3
71.71476	0.4
73.02904	3.9
79.05480	4.0
81.03402	4.9
81.07037	4.1
83.04959	1.5
83.08632	1.2
85.02889	5.9
85.06525	0.5
86.09711	0.9
91.03933	3.0
91.05463	3.9
93.07030	3.3
95.04964	2.3
95.08587	2.9
97.02872	4.8
97.06542	0.6
97.10173	0.6
99.04476	0.6
101.02357	1.6
101.90038	0.3
105.07006	3.8
107.04972	0.8
107.08565	2.3
109.02879	1.0
109.06551	0.9
109.10165	1.3
109.64889	0.3
111.08055	0.7
115.03925	0.3
116.90253	0.3
117.06992	0.5
119.08576	2.5
120.34144	0.3
121.10131	1.3
123.08047	0.7
124.99982	0.6
125.09675	0.5
127.03883	1.6
129.07014	1.0
131.08548	1.7
133.06522	0.4
133.10092	1.7
135.08086	0.6
135.11703	0.9
145.04936	0.3
145.10129	0.7
147.11664	1.6
149.09621	0.7
149.13258	0.4
157.10098	0.8
159.11775	0.3
163.03879	0.5
163.11206	0.7
163.84450	0.3
175.11266	1.0
184.07318	4.0
185.04248	0.5
185.07722	0.7
193.12262	1.3
211.13359	1.0
243.08371	3.5
251.12561	1.0
285.16882	0.3
301.09045	0.5
307.15198	0.5
331.67847	0.3
333.20355	2.4
369.15640	0.3
387.29102	0.4
433.80371	0.3
439.19028	0.8
453.21045	0.5
469.20367	10.1
470.20880	0.4
551.28259	3.3
572.29602	0.4
594.14313	0.4
625.02527	0.4
681.34668	0.5
779.41730	100.0
780.42126	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	780.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
55.05503	10.5
56.05857	0.6
57.03434	3.4
57.07059	2.9
59.05002	1.4
61.02921	0.7
65.03935	1.2
67.05492	19.2
69.03417	10.7
69.07067	4.5
69.60366	5.4
71.04980	12.7
71.08622	0.8
73.02901	0.8
74.94337	0.6
79.05470	7.2
81.03410	9.1
81.07043	100.0
82.07379	2.2
83.04978	0.9
83.08609	3.1
85.02890	13.8
85.06537	5.7
87.04480	2.5
89.03880	1.0
89.06018	2.5
91.05444	3.4
93.07027	11.6
95.04948	9.1
95.08587	19.9
97.02882	10.9
97.06509	1.3
97.10154	9.6
99.04450	3.0
99.08075	2.5
105.07001	3.9
107.08572	5.0
109.02862	8.8
109.06524	3.6
109.10123	3.6
111.04437	4.0
111.08075	3.8
113.05957	1.4
115.03902	3.8
117.03384	1.1
119.04950	1.1
119.08585	1.2
121.06528	0.9
121.10126	3.8
122.10402	0.7
123.04430	0.8
123.08072	1.4
123.11686	79.8
124.12058	1.5
127.03893	10.3
128.74745	0.6
129.05450	0.8
131.08563	0.7
133.04964	2.1
133.10112	6.4
135.04442	2.6
137.05946	1.1
139.03857	3.4
139.11188	1.0
141.09023	1.1
141.12714	2.0
144.46706	0.8
145.02846	2.9
145.04913	1.6
147.04355	3.3
149.09595	1.3
151.11166	15.5
163.03871	25.4
167.07024	1.0
169.10748	1.6
169.12215	33.7
177.02309	0.8
177.05463	1.3
178.03198	5.1
187.13269	44.3
188.13620	1.3
190.03233	2.2
208.04253	13.3
209.04991	0.7
229.14326	3.3
246.11241	1.1
249.14932	1.7
254.04915	1.8
265.06375	1.2
277.14319	5.2
295.15347	19.9
296.15817	1.4
311.06885	19.4
311.10300	1.1
313.16422	8.2
325.09167	3.7
331.17459	65.0
332.17764	4.9
433.18219	1.1
451.19614	27.2
452.20160	2.0
469.21216	0.8
570.20239	1.1
749.26251	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.7
55.05502	12.4
57.03428	7.5
59.04990	0.9
61.02912	0.8
65.03928	1.5
67.05495	19.9
69.03039	1.3
69.03418	27.3
69.07051	5.8
70.06554	0.9
71.01337	1.4
71.04987	7.1
71.70166	1.2
73.02917	1.7
79.05477	20.6
79.05927	1.3
81.03403	100.0
81.07039	21.9
82.03719	1.0
83.01350	0.9
83.04964	17.7
83.08606	16.0
83.09080	1.3
85.02896	18.8
85.06522	2.1
91.05465	27.6
93.07031	16.9
93.07588	1.3
95.04953	21.9
95.08589	10.6
95.82610	0.6
97.02880	26.5
97.06516	5.3
97.10148	4.7
99.04440	7.7
99.08087	1.2
101.02353	1.1
103.05381	0.9
105.07011	20.0
107.04939	8.5
107.08584	8.2
109.02864	23.6
109.06477	4.2
109.10134	3.8
111.04430	14.2
111.05158	1.2
111.08059	8.9
113.05980	1.9
115.05431	2.8
116.06223	0.9
117.06993	3.9
119.04939	2.9
119.08567	14.3
121.02856	1.3
121.06466	4.1
121.10128	7.6
123.04419	3.6
123.08058	2.3
123.11694	2.8
125.09616	3.6
127.03897	17.2
128.06207	1.8
129.05473	4.0
129.06989	10.1
131.04951	1.2
131.08553	10.3
133.06464	3.3
133.10115	8.6
135.04411	1.7
135.08012	1.7
135.11668	2.3
137.05949	1.3
137.09592	1.7
139.03920	0.8
139.07507	1.0
141.06990	1.7
142.07750	2.3
143.08565	2.4
145.04967	1.3
145.06480	2.2
145.10115	4.0
147.04430	2.7
147.08018	2.9
147.11664	14.5
147.12727	1.2
149.05951	2.1
149.09605	5.8
151.03877	1.5
151.11212	0.9
153.12769	2.6
155.08511	1.7
157.06500	0.9
157.10081	8.2
159.07983	0.8
159.11618	1.1
161.05977	2.0
162.82750	0.8
163.03893	4.9
163.07536	0.7
163.11179	4.6
165.05476	0.7
165.12772	5.2
167.07091	1.3
167.08531	1.1
169.05034	1.0
171.08067	1.0
171.11617	1.6
173.04437	9.5
173.09598	1.5
175.11171	11.9
177.05457	0.9
181.12267	3.8
183.06488	1.5
183.11772	0.8
183.13757	1.2
185.09573	1.1
187.11256	0.9
189.05559	0.9
189.11194	1.6
189.12715	0.9
191.10707	2.7
193.12207	33.9
195.13763	1.7
205.12329	1.1
211.13263	54.7
212.13701	1.4
213.13010	0.9
213.14845	1.2
227.12706	7.1
229.14343	4.7
231.13861	1.0
235.13260	1.9
249.14738	3.8
253.07072	2.6
255.13829	0.8
267.15866	12.6
271.08139	0.9
273.14874	3.2
277.14413	1.6
283.15436	1.9
285.16919	10.0
289.14413	0.9
291.15958	1.0
296.09219	1.6
301.14206	6.2
309.16977	0.9
314.10205	1.0
319.15280	3.8
337.16409	5.0
355.17554	8.3
375.18076	2.6
385.23679	1.0
393.19113	2.5
403.24564	0.8
411.20151	8.3
429.21240	2.4
459.27286	4.8
477.28445	6.0
495.29349	5.5
499.21716	1.1
501.29208	0.8
524.15094	0.8
557.31219	1.0
567.29541	0.8
585.30817	2.5
603.31219	2.7
621.32324	7.0
639.33228	5.4
701.36420	0.8
729.35419	1.0
747.35004	1.4
765.36646	2.5
783.25299	1.1
783.37988	15.8
784.38464	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.0
55.05500	9.9
56.05017	3.8
57.03430	3.2
57.07066	2.8
58.99578	9.3
59.04988	1.6
61.02918	3.1
65.03926	1.6
67.05505	13.8
69.03420	12.4
69.07063	11.3
70.06587	3.4
71.04970	3.4
71.70462	2.0
73.02911	2.6
74.00645	3.1
75.13135	1.5
76.02200	6.2
79.05484	14.2
81.03398	6.2
81.07046	28.8
83.04943	2.2
83.08598	6.7
85.02898	24.6
86.00640	4.8
86.99049	3.4
87.04462	1.3
88.02184	3.6
88.03983	3.6
91.04980	2.3
91.05465	17.5
93.07034	29.2
95.04965	7.1
95.08598	39.5
97.02889	11.4
97.10126	1.6
98.09725	1.7
99.04444	3.3
99.08086	3.8
103.05431	1.9
105.00063	4.2
105.07012	42.9
105.07716	2.3
107.04958	1.8
107.08582	42.6
109.02840	3.7
109.06495	4.5
109.10141	16.1
111.04411	2.0
111.08092	1.5
114.03746	2.9
115.04005	1.2
115.05441	1.5
117.06992	9.0
119.04901	1.4
119.08563	87.4
120.01137	5.7
121.06487	2.3
121.10128	31.8
122.01893	2.4
122.02718	34.7
122.09651	1.8
123.08037	2.6
123.11680	5.1
125.04183	2.4
127.03888	6.0
128.06163	2.0
128.48988	1.5
129.06990	6.0
130.07793	3.1
131.08553	44.6
132.01158	7.1
133.10114	36.0
135.04387	4.8
135.08037	5.5
135.11682	14.2
135.14722	1.4
137.04163	2.9
137.05936	2.0
137.09636	1.6
139.05745	3.0
141.06989	1.9
142.06680	1.3
142.07745	5.4
143.08560	21.7
144.09286	3.2
145.02849	2.2
145.04886	3.1
145.10106	79.8
147.04372	2.3
147.08069	1.9
147.11667	23.2
149.05977	1.9
149.09581	2.0
149.13232	8.5
151.05685	6.7
155.08542	6.2
156.09282	5.3
157.10123	30.2
158.02721	2.2
158.10902	6.7
159.10355	2.8
159.11678	42.5
160.04257	6.0
161.09598	2.4
161.13249	20.5
163.03886	19.1
163.05237	2.0
163.05769	1.4
163.07503	5.4
163.11089	2.2
163.14836	11.7
164.04210	3.5
168.09283	1.6
169.10117	11.3
170.10866	9.9
171.11667	19.1
172.12468	3.4
173.09529	2.4
173.13246	71.0
175.05782	2.0
175.07527	1.6
175.14792	32.7
177.05501	2.1
177.07375	3.3
177.09050	2.2
177.12643	1.7
177.16374	13.6
181.10141	2.7
182.10953	2.7
183.11691	10.8
184.12372	2.2
185.09607	1.6
185.13240	48.2
186.13940	3.0
187.14799	72.2
189.09039	3.4
189.12657	3.1
189.16362	18.3
191.14287	23.3
191.17946	4.6
193.10278	1.6
195.11662	5.5
196.12308	1.5
197.13245	10.5
199.14796	32.3
201.12672	3.1
201.16371	39.4
203.08862	2.5
203.14296	21.6
203.17923	13.4
205.10440	3.0
205.15889	1.6
207.11737	2.3
209.13338	6.4
211.14720	6.7
213.16356	13.5
214.08859	1.7
215.14279	2.6
215.17937	3.7
217.10367	3.5
217.12279	4.4
217.15819	2.1
219.11926	2.7
219.13834	3.2
219.17392	2.6
221.13292	1.8
223.14780	4.4
225.16328	5.0
226.08850	2.4
227.17926	3.9
229.19507	1.6
231.13870	3.3
231.17349	2.1
233.15419	5.6
237.16348	5.0
239.17879	3.6
240.10620	2.0
241.19353	2.2
245.15366	4.4
247.16887	5.2
249.14888	8.5
251.17889	3.2
253.19514	3.6
259.17090	1.7
265.19562	1.7
267.20941	3.1
305.22748	1.6
307.20313	1.4
307.23941	2.2
308.16849	2.0
319.24176	2.6
370.16718	3.5
373.28775	4.9
375.30634	7.6
377.32190	1.7
391.29742	6.0
393.31277	2.0
401.28348	2.1
407.27573	2.5
409.30585	2.2
419.29395	20.4
421.30762	6.1
437.30597	12.6
447.29041	3.1
451.26157	2.0
455.31152	3.1
465.29840	9.2
468.13437	1.5
469.27597	2.5
471.29282	1.9
472.07852	1.4
494.30453	4.5
496.32187	6.0
522.30304	2.9
524.31573	2.0
540.31329	18.7
541.30762	1.7
542.32837	12.7
543.31470	1.5
558.32349	29.6
559.32196	2.4
560.33966	21.3
568.30609	3.2
586.31970	42.2
587.31567	3.3
600.02277	1.5
604.32965	100.0
605.33191	3.9
622.33929	2.4
720.37103	5.3
738.38190	1.7
748.36224	2.5
766.38269	54.9
767.37366	2.6
784.39368	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	784.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	5.9
55.05505	7.6
57.03419	3.5
57.07052	1.9
61.02915	3.5
66.95177	1.1
67.05493	11.4
68.99770	2.1
69.03426	16.9
69.07048	6.4
70.43121	2.8
70.43516	2.4
71.04980	6.5
73.02904	3.9
79.05486	9.0
81.03412	24.8
81.07046	20.4
83.08619	7.3
85.02892	36.2
85.06540	3.4
87.00814	14.6
87.04460	1.4
91.05457	13.5
93.07024	19.7
95.04971	3.9
95.08593	28.4
97.02877	23.6
97.06508	2.6
97.10127	1.4
99.04430	6.7
99.08081	11.4
105.01842	14.4
105.06320	2.6
105.07012	32.8
107.08582	38.6
109.02162	2.0
109.02861	25.0
109.06498	4.9
109.10139	22.5
111.04410	1.6
111.08088	3.9
113.06026	1.6
117.01874	1.4
117.06994	3.9
119.08566	63.2
121.06472	5.3
121.10129	25.3
123.08037	4.4
123.11677	5.3
125.09644	1.8
127.03008	2.3
127.03899	30.0
128.06274	1.7
129.01828	2.0
129.06976	2.9
131.08546	31.7
133.09174	1.9
133.10118	30.4
135.08070	5.8
135.11671	14.6
137.05939	1.6
137.09587	4.6
137.13226	2.5
141.07030	1.4
142.07712	2.0
143.08536	13.5
145.04994	10.4
145.10114	37.0
147.02892	1.4
147.04437	2.8
147.08086	2.7
147.11667	32.7
149.09589	2.8
149.13202	7.9
151.07552	1.5
153.09065	1.8
155.08553	2.5
156.09315	2.2
157.10136	19.1
158.10834	2.9
159.02858	7.7
159.10379	1.5
159.11679	28.4
161.09598	6.4
161.13240	23.2
163.03902	3.8
163.07495	2.5
163.11182	4.4
163.14799	12.9
165.12820	1.6
169.10120	5.2
170.10910	1.9
171.11693	16.5
173.09544	1.6
173.13232	36.7
175.11354	2.5
175.14809	38.0
177.05556	2.6
177.09068	2.7
177.12692	3.2
177.16347	5.3
179.10722	1.3
179.14246	5.9
181.10059	1.9
183.11664	11.1
184.12334	1.4
185.13229	26.6
187.14803	50.6
188.15067	1.9
189.12730	9.4
189.16368	8.8
190.44833	1.2
191.14297	19.5
193.15833	3.1
195.11726	1.7
195.13751	2.4
197.13278	7.5
199.12888	1.7
199.14789	30.6
200.15160	1.6
201.12720	1.8
201.16367	46.4
203.14278	15.4
203.17920	4.4
205.15813	8.0
207.13695	1.9
209.13254	3.1
211.14757	9.2
213.03896	4.5
213.16333	24.0
213.18259	1.9
215.14278	6.4
215.17860	2.2
217.12231	2.8
217.15854	5.4
219.13840	5.0
219.17355	6.2
221.02292	1.4
221.15306	2.9
223.14818	2.7
223.16942	3.6
225.16383	3.8
227.17932	6.1
229.15884	4.2
229.19472	1.9
231.04955	5.9
231.13847	2.2
231.17419	4.4
233.15358	3.6
235.13107	7.2
237.14629	2.4
237.16637	1.9
239.17892	3.9
241.15877	1.6
241.19499	3.3
243.11238	3.2
243.17400	2.2
245.15384	10.3
245.18990	1.7
247.16910	8.2
249.14870	10.6
251.18105	2.3
253.19574	4.2
255.21043	1.9
259.16858	15.4
261.18695	1.3
267.21097	4.2
273.18500	3.0
279.21075	1.9
285.12238	2.3
291.20978	1.4
303.23267	2.0
305.22702	1.6
307.24219	3.8
321.22177	1.3
335.23605	2.0
353.24677	4.1
365.24585	1.8
371.25916	1.6
373.28760	6.3
375.30246	6.5
381.27820	1.5
391.29959	28.2
393.31363	10.4
401.28351	2.2
409.31055	23.7
411.32556	2.2
419.29413	20.6
421.31046	4.3
427.31967	2.8
437.30463	65.0
438.31168	2.7
439.32089	2.9
447.28903	1.5
455.31519	100.0
456.31750	4.1
465.29941	10.5
473.32596	49.8
483.31049	32.3
483.36911	0.9
501.32043	35.5
519.32867	4.5
619.98907	1.2
649.33856	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	12.3
55.05502	27.2
57.03429	9.9
57.07062	1.5
58.25052	1.1
59.05013	1.3
61.02919	2.2
65.03935	4.0
67.05492	87.7
69.03419	6.4
69.07052	32.6
71.04984	15.4
71.08633	1.8
71.26175	2.0
71.26500	1.2
73.06543	3.0
74.15347	1.0
77.03936	2.1
78.50526	1.3
79.05479	100.0
81.03405	19.7
81.07040	90.8
83.04968	19.9
83.05423	2.0
83.08611	16.9
85.02883	5.0
85.06523	4.9
87.04453	1.5
89.06017	2.8
91.05463	90.2
93.07027	86.5
95.04334	1.3
95.04451	0.7
95.04951	30.9
95.08588	41.3
97.02879	5.0
97.06524	20.7
97.10157	3.7
99.04433	2.1
99.08067	4.7
103.05450	3.5
105.04501	2.7
105.07012	62.4
106.07253	1.3
107.04932	18.6
107.08571	37.9
109.02877	1.3
109.06506	9.2
109.10158	9.4
111.04414	1.5
111.08058	4.7
113.09627	3.2
115.05463	3.1
117.06995	21.9
118.18251	1.0
119.04950	1.3
119.08558	36.8
121.06493	6.5
121.10126	15.1
123.04413	1.5
123.08015	7.1
123.11664	3.2
125.09658	2.7
127.03914	2.3
127.07449	1.9
128.06204	4.2
129.05550	1.5
129.06985	16.8
130.07799	2.5
131.08545	20.0
133.06459	1.9
133.08546	2.4
133.10121	25.1
135.08028	4.1
135.11676	8.9
137.09595	3.1
141.06950	2.2
142.07710	1.9
143.08542	11.8
145.06491	2.3
145.10092	20.7
147.07967	2.6
147.11664	35.8
149.09581	13.9
149.13220	8.0
151.11198	3.8
155.08559	1.8
157.10101	5.2
159.08057	1.5
159.11641	11.2
161.09607	4.1
161.13220	11.0
163.11145	8.2
165.09077	1.7
169.10107	3.1
171.11661	22.0
173.04468	3.8
173.09563	2.0
173.13222	6.0
175.11156	1.3
177.12732	3.8
179.14317	5.9
183.11662	1.3
184.07372	1.7
189.11212	1.6
189.12743	6.6
195.11884	1.2
195.13806	1.5
197.13269	1.5
205.12170	1.3
207.13779	18.0
219.13759	1.3
225.14966	1.5
227.12784	2.0
229.19490	2.0
239.17978	2.9
247.20483	2.4
251.86887	1.4
257.18988	10.1
269.17383	4.3
273.18491	1.3
275.20016	28.9
277.21533	2.4
279.15985	1.6
281.17432	40.9
281.20602	2.2
331.22403	1.8
349.23737	17.3
351.25052	1.2
377.23239	2.1
392.18768	1.2
413.21783	2.6
435.27502	4.0
459.31125	1.8
461.28952	16.1
475.30490	80.9
476.30392	1.5
527.37006	1.8
537.35284	3.2
545.37927	2.0
555.36700	42.0
573.37738	4.0
587.39038	2.4
619.34393	3.3
625.43933	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	785.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.6
55.05500	8.4
57.03415	3.8
57.07051	1.1
65.03931	7.2
67.05496	61.1
68.05843	0.8
69.03412	1.2
69.07054	6.7
71.04962	1.7
71.71547	1.3
79.05485	17.4
81.03390	2.9
81.07043	18.8
83.04933	2.0
83.08605	3.2
85.06516	1.3
91.05469	18.9
93.07027	17.7
93.98605	0.9
95.04955	100.0
95.08588	11.0
96.05293	1.6
97.06514	4.3
105.04472	0.9
105.07019	16.9
107.04948	8.2
107.08580	9.2
109.06496	5.4
109.10124	3.6
111.08067	3.5
112.13403	0.8
117.06988	7.9
119.08565	12.1
121.06481	4.4
121.10147	5.1
123.08054	2.4
128.06187	1.4
128.40021	0.9
129.07016	4.4
131.08554	14.7
133.06477	2.0
133.10092	8.2
135.08073	2.3
135.11667	5.0
137.05962	2.6
137.09622	1.0
141.06960	1.2
143.08543	8.1
145.06482	1.6
145.10094	7.9
147.08026	5.2
147.11652	5.1
149.09648	2.0
149.13258	1.7
155.76825	0.9
157.10110	3.3
159.08078	1.4
159.11685	4.6
161.09612	2.6
161.13216	3.7
163.11124	2.7
169.10088	2.3
171.11655	4.0
173.13208	2.0
175.14709	1.7
177.12762	2.5
183.11684	1.0
185.13216	2.5
187.11127	2.6
187.14806	1.2
205.12222	1.5
211.14813	1.0
212.40555	1.0
237.16336	1.2
241.19490	3.6
245.18985	2.1
249.16190	0.9
255.17271	1.1
259.20526	4.0
273.18454	31.0
274.18915	1.4
275.20047	1.3
279.16010	1.3
291.19629	4.7
315.23077	1.7
333.24207	13.9
335.22858	0.9
347.22083	17.2
391.86230	1.0
513.36108	1.0
549.39429	1.2
558.61963	1.1
605.41986	20.6
606.42023	2.1
623.42767	3.1
660.63538	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	13.1
55.05242	3.5
55.05501	63.2
57.02815	1.7
57.03420	15.1
57.07054	3.5
59.04973	3.1
61.02918	13.9
65.03923	5.4
67.05491	88.3
69.03078	2.7
69.03418	25.2
69.07052	33.9
70.96210	5.1
71.04964	8.6
71.08601	2.1
73.02886	7.5
79.05017	3.2
79.05479	61.4
81.03407	18.2
81.07043	60.8
83.04964	12.0
83.08604	27.4
85.02898	16.2
85.06502	4.6
91.03931	7.6
91.05463	56.5
93.07028	53.1
94.33167	1.9
95.04964	13.1
95.08000	3.4
95.08588	48.8
97.02888	17.1
97.06513	9.3
97.10152	34.0
99.04423	3.5
103.05435	2.9
105.06338	2.6
105.07012	46.1
107.04928	10.9
107.08570	34.1
109.02836	5.6
109.06510	8.1
109.10143	23.8
111.04416	2.2
111.08060	4.6
115.03934	2.0
115.05415	7.4
117.07013	28.5
119.08562	35.9
119.20480	1.7
121.06483	5.9
121.10121	18.4
123.04349	2.4
123.08042	6.9
123.11672	4.1
125.09604	28.7
127.03883	9.3
128.06232	8.1
129.06966	28.4
130.07703	2.8
131.04912	1.6
131.07541	2.0
131.08540	37.8
131.53273	1.6
133.06406	3.7
133.10103	27.9
135.08020	11.1
135.11646	6.5
137.09547	3.4
137.13148	2.1
141.06958	16.0
142.07738	9.4
143.08546	28.6
145.06439	6.2
145.10115	28.3
147.08014	7.0
147.11685	15.0
149.09575	4.6
149.13248	4.3
153.06960	4.2
153.09061	3.4
154.07730	5.5
155.08527	24.9
156.09309	4.3
157.06532	2.2
157.10098	23.5
159.08041	3.2
159.11662	17.4
161.09575	5.1
161.13205	5.6
163.11179	3.2
165.06966	4.8
166.07753	4.9
167.08522	13.2
168.09303	4.9
169.10101	28.3
171.08012	4.1
171.10213	3.2
171.11613	16.9
173.04399	4.3
173.09592	5.0
173.11882	2.5
173.13185	9.2
175.11086	3.2
177.12761	2.0
178.07770	3.5
179.08557	9.7
180.09283	3.6
181.10106	17.2
182.10806	4.1
183.07928	2.8
183.11665	23.1
185.09563	3.6
185.13184	10.4
187.11211	2.7
187.14775	4.2
189.11191	17.3
189.12691	2.8
191.08453	2.1
192.09189	3.1
193.10092	6.6
193.12175	2.8
194.10934	2.1
195.11691	15.6
197.09554	4.9
197.13249	16.2
199.11125	3.7
199.14807	9.8
201.12622	3.5
201.16275	3.3
205.10257	4.2
207.11612	10.4
209.09674	3.0
209.13248	11.2
211.11237	3.2
211.14786	9.0
213.12761	3.9
213.16324	4.4
218.48045	1.7
219.11678	3.1
221.13203	8.1
223.14793	7.6
225.12788	2.6
225.16399	5.9
227.12660	14.5
227.17870	2.3
229.16080	2.9
233.13174	2.9
235.14764	6.5
237.16304	5.2
239.14244	2.9
239.17848	4.8
241.19510	4.6
245.13733	2.3
247.14752	3.2
249.16353	3.5
251.17921	4.9
253.15858	2.8
253.19478	3.2
257.18887	5.0
259.20435	4.5
263.17862	3.4
265.19632	2.1
267.21036	1.8
273.18488	6.3
275.20029	8.0
277.19272	2.4
279.21063	3.1
283.20316	2.0
287.20148	2.9
291.19485	16.5
295.20425	2.1
297.21918	3.4
309.22180	3.8
313.21558	3.8
321.21878	3.2
347.22495	2.4
365.23773	2.7
367.22437	4.0
379.29996	14.5
391.25668	2.2
405.27008	2.3
407.29831	2.7
461.30264	2.4
513.36755	5.9
515.33362	2.2
529.35120	5.7
531.38068	8.5
536.34491	2.6
543.36249	2.1
549.39136	7.3
553.34894	2.5
554.35272	5.3
595.44366	2.1
605.42023	35.3
606.42407	2.8
623.42950	100.0
624.43286	8.2
716.41101	2.4
731.44824	3.9
736.13745	1.9
749.46948	2.5
767.46729	7.8
785.48206	25.0
786.47443	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	786.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	20.1
55.05502	27.1
56.99229	1.5
57.03431	13.9
57.07067	2.3
59.04985	3.5
61.02906	4.9
63.85088	1.7
65.03929	5.7
67.05495	100.0
69.03410	7.9
69.07060	49.7
70.31228	8.2
71.04975	9.4
71.08622	1.5
73.02904	2.7
73.06539	2.7
74.95263	1.5
77.03890	2.1
79.05482	87.1
81.03411	19.2
81.07045	75.2
81.07538	2.2
83.04961	18.5
83.08603	16.6
85.02885	8.0
85.06538	7.0
87.04463	1.7
91.05466	86.9
93.07034	92.4
94.07370	3.3
95.04955	29.1
95.08595	57.3
97.02874	4.7
97.06516	29.1
97.10173	6.1
97.80349	1.5
98.20858	2.3
99.04477	2.7
99.08057	3.5
103.05438	2.3
105.04551	3.0
105.07016	65.4
105.07726	3.4
107.04941	19.8
107.08578	38.6
109.02859	4.5
109.06497	13.4
109.10143	31.7
109.10865	2.3
111.04428	4.0
111.08059	6.5
115.05424	3.7
117.06992	21.5
119.04941	2.4
119.08565	46.9
121.06483	7.5
121.10120	19.9
121.16386	2.0
123.04456	2.4
123.08074	8.5
123.11688	3.7
125.09611	7.5
127.03888	3.7
127.07524	3.5
128.06215	3.0
129.05502	1.7
129.07002	15.8
130.07832	1.9
131.08540	17.8
133.06467	3.7
133.10101	25.1
133.84268	1.6
135.08064	4.9
135.11693	13.7
137.05965	2.0
137.09599	16.9
139.07442	1.6
139.11212	1.9
141.06973	4.5
143.08539	14.0
145.10107	32.4
147.08003	5.9
147.11665	41.4
147.12839	2.3
149.09601	23.8
149.13226	3.1
151.11136	2.6
155.08537	4.1
155.10625	2.0
156.09357	2.4
157.10150	9.6
159.08098	2.1
159.11652	11.5
161.09622	6.6
161.13231	18.4
163.11169	17.4
165.09134	2.6
167.08623	1.7
169.10117	4.6
171.11655	30.7
173.09615	2.3
173.11726	10.0
173.13249	5.2
175.11201	3.6
177.12726	3.5
179.14268	7.1
181.12328	1.8
183.11696	2.2
184.07333	1.7
185.13229	3.5
187.11176	2.5
189.12680	10.8
197.13216	2.6
205.12199	2.4
207.13762	25.1
225.14857	2.0
227.12679	9.2
227.20067	2.0
229.14331	7.3
239.17947	3.3
247.20520	3.0
257.18933	11.1
269.17422	2.2
273.18533	3.4
275.20038	39.5
276.20279	3.2
279.15793	2.2
281.17453	48.0
281.20575	2.7
282.17749	2.1
283.15341	9.0
291.19540	5.6
293.21127	4.5
315.18149	2.1
331.22757	2.5
349.23627	28.5
377.23322	3.1
435.27325	35.6
449.28683	2.3
459.31064	8.0
477.28366	6.9
537.35815	1.7
539.33759	3.4
555.36652	44.8
556.36597	3.0
557.34369	9.1
571.36359	3.2
589.37140	7.2
607.43896	3.3
624.42889	4.0
625.44366	5.2
693.05658	2.1
786.47601	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1914
Annotation	Quercetin 3-rutinoside-7-glucuronide
Peak:m/z	Relative Intensity
55.01844	0.3
57.03427	1.6
60.87465	0.1
61.02880	0.4
65.03905	0.2
67.64824	0.1
68.99761	0.3
69.03420	1.1
70.54337	0.5
70.54671	0.1
71.01318	0.2
71.04981	8.7
73.02872	0.5
75.04425	0.4
79.15167	0.1
81.03364	0.6
83.04932	0.6
85.02892	13.2
87.04425	0.3
91.03917	0.1
95.04935	0.3
97.02869	1.1
98.95464	0.1
99.04391	0.4
107.49410	0.1
109.02867	0.7
111.00749	0.7
111.04386	0.2
121.02863	0.8
123.04381	0.2
127.03897	0.7
129.04584	0.2
129.05461	2.6
135.04395	0.2
137.02316	2.9
145.04909	0.5
145.06458	0.1
147.06479	0.6
149.02283	0.4
153.01791	2.7
155.04863	0.2
161.05934	0.3
163.03860	0.6
165.01811	1.8
166.02473	0.2
173.05902	0.3
183.02922	0.8
183.04326	0.2
187.03905	0.2
189.05246	0.2
195.02863	0.2
201.05453	1.1
205.04926	0.1
215.03488	0.2
219.06503	0.3
229.04922	3.7
235.42441	0.2
247.05890	0.7
257.04407	2.6
271.05963	0.6
272.06290	0.3
273.06683	0.2
274.04703	0.6
275.05429	0.2
285.03897	1.3
303.04941	100.0
304.05255	2.0
345.05936	0.3
479.08151	38.8
480.08606	0.8
641.13361	0.2
723.84711	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	787.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.1
67.05500	1.0
69.03433	1.2
69.55525	2.1
69.55933	0.7
78.04263	0.3
79.05470	1.6
80.05017	0.7
81.03407	3.1
81.07042	0.7
82.06573	0.8
85.02905	1.4
89.03901	0.4
91.05459	1.9
92.05006	0.7
93.05778	2.0
93.07030	1.7
94.06557	7.4
95.04965	0.8
95.07366	1.5
95.08563	0.4
95.48400	0.3
96.08119	4.0
97.02866	0.7
97.06540	0.4
103.05428	0.7
105.06992	0.6
106.06525	1.5
107.07320	2.2
108.04455	2.3
108.08104	11.5
109.02878	0.9
110.09662	4.5
110.10342	0.4
116.04997	1.4
117.05778	0.7
118.06566	1.6
120.04456	4.7
120.08084	8.2
121.10204	0.4
122.06004	6.4
122.06804	0.4
122.09634	3.7
124.07577	3.2
127.03898	0.7
129.06992	0.3
130.06482	0.8
132.04466	1.0
132.08105	0.7
134.06001	2.6
134.09615	0.4
135.30742	0.3
136.07558	11.7
138.05531	1.2
138.09120	6.9
144.04449	2.4
144.08121	0.7
146.05989	11.0
146.09647	0.4
148.07547	6.4
148.08620	0.5
150.05452	0.3
150.09102	2.7
152.07106	1.1
156.08145	0.4
158.06035	0.7
158.09587	0.4
160.03917	2.9
160.07645	1.0
162.05492	2.0
162.09143	0.4
163.03926	1.0
164.07094	1.4
166.08621	4.5
167.07248	0.9
168.08134	0.4
172.03908	8.0
172.07620	1.4
174.05486	3.7
174.09229	0.7
176.07108	1.4
180.10312	0.5
182.08336	0.4
182.09717	0.7
183.09229	1.0
184.07570	0.6
184.09921	0.7
185.07117	0.4
185.10780	0.4
186.05531	1.2
186.09225	0.5
188.07114	0.7
190.04959	10.0
194.09633	0.5
195.09090	0.7
196.07832	0.5
196.09929	1.3
197.10692	1.8
198.09334	0.4
198.11467	0.7
199.08713	1.0
199.12303	2.7
204.06619	1.4
206.09752	0.4
207.09286	0.5
208.09833	0.5
209.10736	1.5
210.09196	1.7
210.11591	1.0
211.08630	2.7
211.12373	1.4
212.09355	1.9
213.10233	0.6
213.13771	0.5
216.10155	0.4
221.10625	0.8
222.11337	0.4
223.08716	1.3
223.12329	1.4
224.09505	1.4
225.10199	7.8
225.12257	0.5
226.08890	0.6
226.11060	1.3
227.11754	16.8
228.10231	0.6
228.12411	0.4
229.13420	1.0
232.09683	0.5
233.10748	0.5
235.08693	1.0
236.09547	1.5
237.10164	4.8
238.10953	2.0
239.11758	4.3
240.12538	0.5
241.09743	0.7
241.13235	1.7
245.12932	0.7
246.11392	0.6
248.09323	0.5
249.10301	2.1
250.10896	0.8
251.08252	1.2
251.11777	4.0
252.08939	0.8
252.12572	1.0
253.09676	5.1
253.13292	1.8
255.11311	3.3
257.12848	1.0
258.11340	0.3
261.10443	0.9
262.08667	0.5
262.11154	0.5
263.08246	2.4
263.11850	0.6
264.08813	2.2
265.09631	3.6
266.10443	0.9
267.11215	4.9
269.12848	5.0
271.10724	4.3
271.13864	0.5
273.12277	2.2
277.09689	2.3
277.12509	0.3
278.10468	0.8
279.11212	7.8
279.14172	0.4
281.09540	0.6
281.12930	2.0
283.10672	1.6
284.11713	0.7
285.12326	3.0
287.13992	0.7
289.13501	0.4
291.11273	0.8
293.09262	0.8
293.12628	0.8
295.10730	2.1
297.12256	5.0
297.14969	0.3
298.13382	0.8
299.14209	2.0
300.11606	0.8
300.15085	0.7
301.12427	0.7
302.13016	1.2
303.13947	0.4
305.09366	1.4
307.10812	3.0
309.12439	0.7
311.14209	0.4
312.11414	0.6
312.15054	1.0
313.12451	1.6
314.12833	2.5
314.16339	0.5
315.13815	1.3
316.10977	1.0
316.14514	2.0
317.15329	0.5
318.15961	0.7
319.10583	0.5
321.12305	1.1
323.10297	2.0
323.13773	0.4
324.11389	0.5
325.11771	4.4
325.15192	0.5
326.13052	0.9
326.16660	0.8
327.13852	1.1
328.11200	2.2
328.13925	2.3
329.11667	2.4
329.15323	1.2
330.12296	1.4
330.16107	2.7
331.13278	0.6
331.16953	0.9
332.17722	0.4
337.12109	0.4
338.12909	0.9
339.13800	1.5
340.10928	0.6
340.14575	1.4
341.11292	1.6
341.15237	1.2
342.12473	6.8
342.16232	1.7
343.13077	4.6
343.16452	0.3
344.14011	2.5
344.17630	0.8
345.14813	0.7
346.15594	0.7
351.13391	0.5
352.14655	1.3
353.15656	0.8
354.12317	1.2
354.16141	2.4
355.12796	2.2
355.17239	0.8
356.13867	5.7
356.17636	0.7
357.14612	2.2
358.15472	7.0
360.17114	0.7
365.11441	1.2
365.15698	0.6
366.12213	0.5
366.16003	1.9
367.13281	1.0
368.13916	0.7
368.17963	0.7
369.14822	1.7
370.11603	1.0
370.15616	4.4
370.19360	0.4
371.16489	1.0
372.13278	0.7
372.17200	2.1
379.13049	0.4
380.13910	1.7
381.14725	1.0
382.11365	2.0
382.16083	0.7
383.12659	1.5
384.13049	1.9
384.17337	1.0
385.14148	1.4
386.14697	3.9
386.19302	0.6
387.16110	0.8
388.16565	0.9
390.18198	0.8
394.15591	1.7
395.16263	1.2
396.12976	0.5
396.17615	0.8
397.14374	1.1
398.14923	12.8
399.15689	7.5
400.16605	3.2
401.17221	0.6
402.14563	0.9
402.19116	0.5
404.16068	1.5
410.14963	0.6
411.15802	0.5
412.16376	1.8
413.17252	0.5
414.18314	2.6
415.14893	0.5
416.15820	4.2
417.16608	1.9
418.17697	1.2
421.14166	0.5
422.15158	1.3
425.12912	0.6
427.15204	0.5
428.16171	1.5
429.16464	0.7
430.17831	1.2
431.18271	0.6
435.18268	0.6
439.15030	0.6
440.16003	3.2
441.16544	1.2
446.17047	1.1
447.16412	0.4
457.16220	0.5
458.16589	2.4
459.17886	0.8
460.18729	0.6
467.14172	0.6
470.17133	0.5
472.18768	1.0
474.20166	0.5
475.77646	0.4
482.17282	1.0
484.18524	0.8
486.20248	0.8
488.18381	0.9
492.21436	0.6
496.18088	0.4
498.20502	0.4
500.18137	1.5
502.19769	0.7
505.22757	0.6
514.19611	0.8
516.21204	0.7
518.18860	0.6
522.21863	0.4
523.23431	0.7
524.18170	0.6
530.19720	1.0
532.20612	0.9
533.21661	0.8
534.22504	0.8
538.20245	0.5
540.20978	0.4
542.19287	1.3
544.20618	0.5
548.19946	1.6
551.22675	0.5
554.18964	1.6
556.20465	0.6
558.22302	0.9
560.20197	6.4
565.24408	0.6
566.18976	1.9
572.19806	1.8
584.20081	2.7
590.21277	2.7
592.23035	0.5
593.23987	1.2
602.21252	8.8
611.25238	1.0
620.22601	0.8
625.26691	0.5
634.23511	0.6
653.25574	1.1
668.28333	0.5
673.26660	1.4
683.30817	0.4
685.28198	0.8
691.27795	2.1
693.29834	0.4
695.27087	0.5
701.26111	0.7
709.29065	1.8
711.30341	5.2
713.28052	7.3
714.28827	0.6
719.26672	2.9
727.29645	4.3
737.28052	5.9
755.29089	100.0
756.29236	4.3
787.31384	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	787.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.9
65.03950	1.1
67.05483	2.5
67.58295	0.5
69.03429	2.1
69.07069	0.8
70.06591	1.2
71.04993	1.4
73.02908	0.7
79.05494	2.7
80.05025	0.6
81.03419	3.1
81.07061	2.2
82.06570	0.5
83.04970	0.9
85.02899	3.5
86.09723	0.8
89.03914	0.6
91.05465	3.8
92.05021	0.7
92.05718	0.5
93.05791	1.4
93.07029	2.9
94.06552	5.4
95.04980	1.3
95.07347	0.8
95.08620	1.8
96.08133	2.2
97.02919	1.4
97.06538	1.8
99.04450	0.8
103.05470	1.0
105.07037	2.3
106.06568	1.0
107.07352	1.0
107.08620	1.6
108.04470	1.6
108.08096	9.1
109.02910	1.1
109.10162	1.4
110.09675	3.9
116.04978	2.0
118.06570	1.4
119.04893	0.7
119.08591	1.7
120.04438	3.5
120.08089	6.6
121.06454	0.5
121.10151	1.9
122.06017	6.5
122.09621	2.5
124.07569	2.8
127.03926	1.4
129.05403	0.8
129.06993	0.6
131.04903	0.5
131.08629	0.6
132.04364	0.6
133.10162	1.1
134.05995	2.5
134.09657	0.8
135.04463	1.3
135.08066	1.2
135.11726	1.0
136.07565	10.0
137.05956	0.6
138.05484	1.0
138.09122	5.7
144.04416	3.1
145.05118	0.5
145.10139	1.2
145.23137	0.6
146.05981	10.0
146.09572	0.6
147.04465	1.1
147.11761	0.6
148.07564	4.8
148.08481	0.5
150.05608	0.6
150.09126	2.9
152.07047	1.0
158.06032	0.8
159.11723	1.0
160.03882	2.7
160.07574	0.9
161.09769	0.6
162.05521	2.1
163.03894	4.8
164.07088	1.8
165.09131	0.8
166.08597	4.8
167.07240	1.2
168.08052	0.7
172.03918	9.1
172.07567	1.3
173.13248	0.9
174.05513	3.8
176.07111	1.6
177.05531	1.1
182.09674	1.5
184.09906	1.0
186.05556	0.7
190.04962	8.9
194.18108	0.6
196.09846	0.7
197.10793	1.7
198.09309	0.7
198.11481	0.8
199.12285	4.6
200.10712	0.6
201.16496	0.8
204.06566	5.4
205.15953	1.1
209.10779	1.2
210.09250	1.2
210.11403	0.5
211.08705	2.4
211.12379	1.7
212.09512	1.8
213.10300	1.0
221.10741	0.5
222.11421	0.6
223.08606	1.2
223.12379	0.9
225.10220	6.4
226.11057	1.4
227.11755	20.9
234.09276	0.8
236.09575	2.0
237.10179	3.6
238.11009	1.5
239.11751	3.1
241.13391	1.6
245.12817	1.0
249.10341	1.0
250.10966	0.8
251.08157	0.8
251.09302	0.5
251.11772	4.3
253.09792	4.5
253.13382	1.1
255.11256	3.0
257.13010	0.9
261.10333	1.2
263.08392	1.3
263.11923	1.4
264.09012	2.0
265.09665	3.3
266.10571	0.8
267.11240	4.1
269.12805	5.1
271.10675	4.1
273.12415	1.8
277.09875	1.6
278.10477	0.9
279.11270	6.6
280.12131	0.8
281.12933	1.4
283.10883	1.6
285.12448	2.0
287.14044	2.2
291.11182	0.9
292.08453	0.7
293.09222	1.1
295.10785	1.3
296.11560	0.6
297.12314	4.5
299.13989	2.2
302.13110	1.1
305.09106	0.8
307.10745	3.3
309.12335	0.8
311.14044	0.7
312.11615	0.6
312.15039	0.9
313.12637	1.0
314.13007	1.2
315.13715	1.0
316.11069	0.7
316.14542	1.4
317.15332	0.6
321.12256	0.7
323.10263	0.7
325.11951	3.2
326.16641	0.9
327.13641	1.7
328.11179	1.2
328.14612	2.3
329.11649	1.9
329.15210	1.8
330.12454	1.1
330.16086	2.0
331.16663	0.8
335.13623	0.7
339.13434	1.8
340.14624	1.3
341.11865	0.8
342.12384	4.9
342.16107	1.1
343.12924	3.4
343.16806	0.7
344.13882	1.4
344.17612	0.9
352.14594	0.6
354.12262	1.2
354.16211	1.3
355.13074	2.6
356.13815	4.1
356.17599	0.6
357.14688	2.6
358.15549	4.5
366.16031	1.0
368.13834	1.1
369.14783	1.8
370.15549	3.1
371.16251	0.9
372.17160	2.2
379.12891	0.7
380.14081	1.1
382.11511	1.0
382.15921	0.9
383.12137	1.1
384.13428	1.6
385.14142	1.6
386.14639	2.9
387.15668	0.8
388.16769	0.9
394.15637	1.5
395.15994	1.8
397.14389	0.8
398.14941	9.9
398.19751	0.7
399.15671	7.3
400.16528	2.3
404.15869	0.8
412.16193	2.5
413.17126	2.7
414.18198	2.3
416.15732	2.6
417.16742	1.3
418.18155	0.6
421.14182	0.6
422.15204	1.7
423.14597	0.6
423.32776	1.2
425.13379	0.7
428.15930	1.2
430.17590	0.7
431.18268	2.4
440.16068	3.2
446.17218	1.0
458.16882	3.0
459.18155	0.6
467.14792	0.8
470.17239	0.7
472.18546	0.6
487.34210	2.8
488.18042	0.9
514.19971	0.7
522.21985	0.8
530.19763	0.8
532.20941	0.8
534.22162	1.2
542.19226	1.2
548.19904	1.6
554.19287	0.9
558.22308	0.7
560.20172	4.9
566.19641	1.5
572.20410	1.7
584.20270	2.4
590.21521	2.3
593.23798	1.5
594.24255	0.7
602.21216	7.3
673.26367	1.1
683.31030	0.7
691.27631	2.1
701.26361	0.9
709.28748	1.9
711.30109	5.2
713.27856	6.8
719.26978	2.7
727.29492	6.1
737.27826	6.5
755.29089	100.0
756.29608	6.2
786.53375	1.5
787.31555	5.5
787.53821	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
65.03931	1.0
67.05499	0.6
69.03428	1.2
69.69078	0.9
69.69488	2.3
79.05490	1.7
80.05015	1.0
81.03418	2.7
82.06593	0.6
85.02885	0.9
89.03886	0.5
91.05480	2.3
92.05002	0.5
93.05778	1.6
93.07037	1.7
94.06558	6.5
95.04951	0.8
95.07333	1.7
95.08582	0.5
96.08123	3.9
97.02897	0.9
97.43209	0.4
103.05479	0.8
106.06532	1.1
107.07328	1.7
108.04472	1.9
108.08109	11.9
108.08813	0.8
109.02973	0.5
110.09672	4.6
115.59211	0.4
116.04986	1.9
117.05787	0.5
118.06553	1.7
120.04439	3.6
120.08085	7.9
120.08862	0.6
122.06013	6.0
122.09647	3.2
124.07568	2.6
127.03871	0.6
132.04424	0.9
132.08063	0.8
134.05995	2.7
136.07555	11.0
138.05482	1.3
138.09114	6.6
144.04443	2.2
144.08087	1.4
146.05986	10.6
148.07556	5.3
150.05547	0.6
150.09125	3.0
152.07005	1.0
158.06004	1.0
158.09628	0.6
160.02808	0.4
160.03874	2.5
160.07579	0.7
162.05504	1.9
163.03934	0.5
164.07088	1.2
166.08617	5.3
172.03906	5.6
172.05116	0.5
172.07579	1.4
174.05490	3.2
176.07053	1.7
182.09726	1.3
183.09160	0.6
184.07611	0.6
184.09947	1.2
186.05510	0.8
188.07085	0.5
190.03320	0.8
190.04974	8.9
190.06671	0.7
195.09135	0.7
196.09911	1.0
197.07140	0.7
197.10782	1.9
198.09196	0.7
199.08691	0.9
199.12245	2.9
200.07011	0.8
203.12526	0.4
204.06575	1.9
208.09877	0.7
209.10735	1.7
210.09216	1.3
210.11458	0.8
211.08630	2.0
211.12337	1.5
212.07103	0.4
212.09282	2.0
213.10176	1.0
218.08275	0.5
221.10796	0.8
223.08768	0.7
223.12440	0.9
224.09520	1.3
224.13103	0.4
225.10229	7.2
226.11008	1.4
227.11768	12.5
229.13330	0.6
233.10841	0.6
235.08655	1.0
235.12410	0.8
236.09450	2.0
237.10170	4.2
238.11023	1.5
239.08266	0.4
239.11728	3.6
240.12425	0.7
241.09662	0.5
241.13348	0.7
245.12843	0.8
246.11343	0.6
247.08607	0.4
248.09521	0.6
249.10202	2.8
250.10852	1.1
251.08163	1.2
251.11760	4.4
253.09718	4.6
253.13379	1.8
255.11319	3.0
259.48212	0.4
260.09454	0.4
261.10318	1.2
262.10910	0.6
263.08301	2.2
263.11838	1.7
264.06619	0.5
264.08780	2.1
265.09708	3.6
266.10477	0.8
267.11246	3.8
268.11929	0.4
269.12784	4.0
271.10660	3.5
273.12277	2.9
275.11679	0.8
277.09781	2.0
278.10526	0.9
279.11234	6.3
280.11832	0.6
281.09705	0.6
281.12958	1.6
283.10663	2.0
284.11548	0.7
285.12372	2.3
287.14227	0.6
289.09702	0.7
290.10193	0.5
291.11508	1.4
292.12048	0.4
293.09198	0.8
293.12729	0.5
295.10858	1.3
296.11624	0.6
297.12268	5.1
298.13177	0.8
299.14090	1.4
300.11676	0.5
302.13065	0.7
305.09317	0.8
307.10648	2.4
309.12302	0.5
311.10889	0.5
311.14355	0.7
312.15042	0.7
312.54932	0.5
313.13058	1.4
314.13074	1.6
315.13806	1.7
316.11032	1.0
316.14526	1.4
317.15247	0.7
321.12469	1.1
323.10431	1.4
325.11703	3.5
326.13135	1.2
327.13885	2.0
328.10941	2.4
328.14612	1.8
329.11627	2.4
329.15289	1.2
330.12314	1.2
330.16116	2.4
331.16800	1.0
338.12888	1.0
339.13739	1.8
340.10825	0.8
340.14456	1.7
341.11865	1.3
341.15427	1.2
342.12338	6.0
342.16177	1.2
343.13110	4.3
343.16687	0.9
344.13959	1.5
344.17673	0.9
352.14456	1.7
354.12402	1.5
354.16153	1.4
355.12808	2.6
355.17184	0.8
356.13803	5.7
356.17511	0.8
357.14407	2.2
358.15488	5.7
358.19431	0.7
360.17343	0.7
365.11130	0.7
365.15311	0.7
366.16095	0.9
367.13382	1.1
368.14008	1.1
369.14923	1.4
370.11719	0.5
370.15549	4.5
371.16223	1.4
372.17163	1.7
373.14172	0.6
380.14090	1.5
382.11954	1.5
383.12668	1.8
384.13361	1.2
384.17480	1.0
385.14447	1.6
386.14929	2.9
388.16727	0.7
390.18283	0.8
394.15625	1.7
395.16476	1.0
396.12756	0.6
396.17337	1.1
397.13950	0.7
398.14972	11.0
398.19754	0.8
399.15723	5.6
400.16803	3.0
401.13345	0.5
402.14203	0.6
404.15909	1.2
410.14856	0.7
411.16013	0.7
412.16351	2.5
413.17310	0.9
414.18204	1.7
416.15909	2.9
417.16638	1.3
418.17862	0.8
422.15070	1.4
428.15833	1.1
431.18195	0.7
439.15088	0.9
440.16214	2.7
441.16443	0.7
442.17725	0.9
446.16977	1.2
447.15854	0.5
456.19299	0.7
458.16696	2.4
459.18390	0.7
470.17004	0.9
472.18335	0.9
484.18524	0.5
488.18268	1.1
500.18222	2.2
502.20181	0.5
505.22000	0.6
506.18329	0.5
518.18652	0.9
519.19415	0.6
530.19360	0.9
534.22388	1.3
536.17804	0.8
538.19940	0.9
542.19073	1.2
548.20001	1.6
551.22577	0.5
554.19403	2.0
558.22351	0.7
560.20251	6.1
565.24243	0.7
566.19550	1.4
572.20325	3.1
574.21082	0.8
575.23547	0.8
584.19659	3.2
590.21191	3.2
592.23431	0.5
593.23682	1.6
602.21198	10.3
603.21155	0.7
604.22357	0.5
611.25854	0.6
617.23608	0.5
620.22400	1.3
634.24255	0.5
653.26025	1.7
664.24982	1.1
667.28088	0.6
673.26642	1.7
683.31433	0.6
685.28485	1.0
691.27673	2.4
695.27551	0.6
701.26593	1.3
709.28339	2.6
711.30389	5.7
712.30444	0.5
713.28009	10.5
713.39557	0.7
719.26959	4.0
727.29535	4.4
737.27960	8.2
752.28320	0.6
755.29114	100.0
756.29572	6.5
770.28754	1.5
787.31879	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.6
57.03421	1.0
57.23338	0.4
60.04496	0.4
61.02906	0.5
65.03918	1.4
67.05483	1.5
68.04985	0.5
69.03406	1.7
70.06573	0.6
71.04968	1.2
71.70200	0.6
71.70644	0.7
73.02885	0.8
79.05485	1.8
80.05011	1.4
81.03408	3.1
81.07048	1.8
85.02894	3.0
85.06549	0.5
89.03925	1.0
89.06006	0.7
91.05470	2.9
92.04991	1.1
93.05778	2.1
93.07033	2.5
94.06548	7.1
95.04959	1.3
95.07347	1.4
95.08603	0.7
96.08109	3.6
97.02886	1.5
97.06564	0.4
99.04444	0.7
103.05405	1.1
105.05756	0.5
105.07001	0.7
106.06557	1.9
107.07333	1.2
107.08600	1.0
108.04488	2.4
108.08104	12.7
109.02866	1.7
109.10159	0.5
110.06047	0.6
110.09665	5.5
111.04449	0.6
116.04963	1.4
117.03366	0.9
117.05798	0.5
118.06542	2.1
119.04897	0.7
119.08617	0.7
120.04478	4.3
120.08095	9.2
121.10156	1.0
122.06014	6.9
122.09659	3.9
124.07584	3.2
127.03979	0.9
131.04942	0.7
132.04454	0.7
132.08118	0.6
133.10132	0.5
134.05994	3.1
135.04404	1.0
135.08070	0.7
136.07559	12.4
137.05940	1.1
138.05467	1.0
138.09117	6.7
144.04417	2.1
145.02840	1.1
146.05995	10.9
147.04419	1.9
148.07539	6.0
150.09109	3.0
152.07045	1.1
153.05450	0.6
157.10013	0.5
158.06050	0.8
158.09642	0.5
160.03908	2.8
160.07539	0.7
161.07167	0.5
162.05486	2.8
163.03886	7.9
163.07503	0.7
164.04332	0.8
164.07065	1.8
166.08629	5.7
167.07118	0.8
172.03912	6.7
172.07571	1.2
174.05464	3.7
174.09094	0.9
176.07040	2.1
177.05463	1.0
181.08847	0.8
182.09660	1.4
183.09160	0.9
184.09911	1.1
184.11328	0.6
186.05518	1.4
186.09094	0.5
188.07152	0.8
190.04979	9.0
190.08667	0.7
191.03423	0.5
196.09947	1.4
197.10747	2.1
198.11520	0.9
199.08620	0.8
199.12350	2.6
200.07152	0.7
204.06583	1.8
207.09282	0.7
208.09921	0.5
209.10677	2.0
210.09233	1.4
210.11316	0.5
211.08531	2.0
211.12363	1.7
212.09306	2.1
213.10355	1.1
213.13820	0.5
214.08621	0.5
221.10745	1.1
222.11649	0.4
223.08751	1.1
223.12315	1.4
224.09355	1.0
225.10201	8.3
226.10976	1.1
227.11772	13.9
228.06602	0.5
229.05069	0.5
229.13437	1.0
235.08714	1.0
236.09477	1.6
237.10223	3.7
238.11116	2.1
239.11768	4.0
240.12479	0.6
241.09789	0.7
241.13446	1.4
245.12923	1.2
246.11360	0.8
249.10115	2.9
250.10959	1.2
251.08153	1.3
251.11797	4.2
252.09010	0.6
252.12489	0.9
253.09692	4.3
253.13467	1.3
254.10370	0.7
255.11279	3.2
257.04443	1.8
258.07672	0.5
261.10297	1.2
262.11008	0.7
263.08151	2.2
263.11877	1.9
264.08997	1.9
265.09723	3.5
265.13132	0.4
266.10587	1.0
267.11301	3.8
269.12836	4.6
271.10739	4.6
272.05655	0.6
273.12173	2.3
277.09741	1.7
278.10526	1.4
279.11264	8.4
280.11899	0.5
281.09439	0.9
281.12909	2.5
283.10861	2.0
284.11664	1.3
285.12473	1.7
286.04639	0.7
286.07184	3.0
289.09906	0.6
291.11426	1.0
293.09378	0.5
293.13010	0.7
295.10611	2.4
297.12341	3.8
298.13373	0.7
299.14166	2.2
300.11826	0.6
301.12436	0.5
302.12906	1.0
305.09219	1.0
307.10858	2.6
309.12399	1.3
311.14236	1.1
312.11664	0.5
312.14987	1.1
313.12485	1.7
314.12970	2.2
314.16360	0.5
315.13733	1.3
316.11105	0.6
316.14459	1.3
318.09787	1.2
319.10748	0.5
321.12329	1.2
322.12955	0.5
323.10516	1.1
324.11301	0.5
325.11859	4.0
326.13019	1.1
326.16663	0.8
327.13797	1.5
328.10867	2.3
328.14545	3.1
329.11765	2.5
329.15320	1.3
330.12631	2.1
330.15601	2.1
331.16983	1.2
332.17703	0.5
337.11841	0.7
337.15585	0.6
338.13000	1.2
338.16724	0.8
339.13684	1.9
340.14569	1.8
341.11765	1.5
341.15417	1.3
342.12460	5.9
342.16116	1.6
343.13098	5.2
344.13901	2.1
344.17780	0.9
345.14795	0.6
346.15854	0.5
351.13712	0.7
352.14542	1.7
353.15408	0.7
354.12268	1.0
354.16083	1.9
355.13156	2.5
355.17020	0.8
356.13873	5.1
356.17700	0.9
357.14703	2.7
358.15509	6.1
359.16208	0.5
360.17255	0.5
365.15506	0.6
366.12228	0.5
366.16101	1.3
367.13388	0.9
368.14044	1.3
369.14529	1.8
370.11539	0.7
370.15509	4.2
370.19424	0.6
371.16318	0.8
372.17087	2.0
379.13098	0.7
380.13953	1.7
381.14877	0.8
382.11987	1.8
382.16202	0.7
383.12527	1.3
384.13275	1.7
384.17224	1.3
385.13925	1.2
386.14758	3.8
386.19360	0.7
387.15765	0.8
388.16629	1.3
390.18341	0.7
394.15509	2.0
395.16336	1.0
396.17453	0.8
397.14874	0.8
398.14990	13.3
399.15778	6.4
400.16620	3.4
402.14215	0.9
404.16055	1.6
410.14926	0.9
412.16571	2.0
413.17413	1.0
414.18307	2.1
415.14658	0.8
416.15814	3.5
417.16922	2.0
418.17899	1.0
422.15314	1.5
427.15140	0.9
428.16153	1.9
430.18005	0.9
431.18289	1.0
432.08401	0.5
432.19485	0.6
435.18311	0.5
439.15115	0.8
440.16101	3.5
441.16669	1.0
445.16672	0.5
446.17172	1.1
447.10822	1.1
458.16855	2.7
459.18228	0.6
460.18564	0.8
465.11734	3.4
467.14386	0.8
470.16971	0.9
472.18857	0.8
482.17017	1.2
488.18512	1.6
490.20151	0.7
500.18192	1.9
505.22473	0.8
514.20081	0.6
520.19995	0.6
526.19214	0.6
530.19110	0.7
532.20697	0.6
534.22522	1.1
536.17999	0.7
538.19855	0.6
542.19611	1.1
548.19940	1.7
551.23090	0.9
554.19275	1.9
556.20898	0.7
558.22412	0.7
560.20300	6.5
565.24707	1.2
566.19550	1.9
572.20117	2.9
575.22906	0.8
584.20435	3.4
590.21161	3.7
592.22711	0.9
593.23767	1.9
602.21271	9.9
603.21484	0.7
607.25439	0.6
611.24725	0.7
620.22040	1.2
634.23462	0.7
653.26062	1.6
673.26489	1.6
683.29913	0.7
685.28143	0.6
691.27789	2.4
709.28400	3.1
711.30170	6.0
713.28149	10.0
719.26813	3.2
727.29889	5.8
737.28064	9.3
755.29126	100.0
756.29504	5.9
770.29340	1.3
787.30493	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.4
67.05508	1.1
69.03417	1.9
70.62846	2.2
71.04981	1.4
79.05488	1.9
80.05013	1.5
81.03410	4.2
81.07064	1.6
81.79403	0.6
85.02881	3.1
85.06538	0.6
87.04475	0.6
89.03936	1.0
91.05475	2.7
93.05781	2.2
93.07054	2.4
94.06555	7.5
95.04938	1.2
95.07365	1.2
95.08592	1.3
96.08117	4.4
97.02885	2.3
103.05521	0.7
105.07025	1.5
106.06541	1.8
107.04966	0.8
107.07346	1.7
107.08568	0.7
108.04469	2.4
108.08109	13.6
108.08823	1.0
109.02867	1.0
110.09647	4.8
116.04987	1.5
117.03407	1.0
118.06528	1.6
120.04459	4.9
120.08092	9.1
121.02871	0.8
122.06016	8.1
122.09673	3.6
124.07553	2.8
127.03909	1.1
130.06509	0.6
134.05995	3.1
135.04405	1.3
136.07556	12.4
137.05954	1.2
138.05502	1.6
138.09131	7.0
144.04472	2.4
145.02795	0.8
145.10152	0.8
146.05994	12.1
147.04417	2.4
148.07549	5.8
150.09164	3.1
152.07050	0.8
158.06012	1.1
158.09637	0.9
160.03967	2.5
160.07585	1.0
162.05507	2.1
163.03883	8.4
164.04199	1.0
164.07091	1.7
166.08606	5.4
167.07181	1.2
172.03915	7.1
172.07556	1.0
174.05475	4.3
175.62982	0.6
176.07104	1.9
177.05525	1.7
182.08366	0.8
182.09727	1.2
184.09964	1.0
186.05534	1.8
186.09200	1.0
188.07127	1.3
190.04964	8.4
191.03496	0.6
192.06596	0.6
193.08617	0.7
196.07640	0.8
196.09955	1.6
197.10805	2.5
199.12248	3.2
200.07082	1.1
204.06577	2.1
209.10780	1.9
210.09189	1.6
211.08704	2.5
211.12274	1.8
212.09445	2.0
221.10759	1.1
222.11484	0.7
223.08687	1.6
223.12350	1.2
224.09470	1.6
225.10217	7.9
225.13828	0.7
226.10977	1.2
227.11766	15.2
228.06606	1.0
229.13445	0.7
235.08800	0.9
235.12465	0.8
236.09483	1.9
237.10289	4.0
238.11090	2.3
239.11812	3.6
240.12540	0.8
241.09793	0.8
241.13385	1.9
245.12930	0.9
249.10342	2.5
250.11058	1.0
251.11745	4.5
252.12486	0.7
253.09731	5.4
253.13452	1.5
255.11182	3.5
257.04559	1.5
257.12909	0.8
261.10175	0.9
262.10959	0.8
263.08231	2.7
263.11832	1.1
264.08969	2.7
265.09641	3.1
265.13550	0.9
266.10620	0.8
267.11301	4.2
269.12787	4.7
271.10580	3.3
272.05612	0.9
273.12329	3.2
275.11823	1.0
277.09738	2.2
278.10449	1.1
279.11261	8.6
281.12897	2.1
283.10822	2.0
285.12366	2.5
286.07050	3.9
287.13919	0.9
289.09756	0.9
291.11343	1.2
295.10861	2.0
297.12238	5.1
298.13431	1.1
299.14029	2.2
302.12878	1.3
303.59879	0.6
307.10870	2.7
309.12607	1.0
311.14426	1.1
312.15161	1.5
313.12628	2.0
314.12994	2.2
315.13809	1.0
316.11020	0.8
316.14514	1.5
318.09750	1.2
318.16415	0.6
321.12354	1.1
323.10315	1.5
325.11935	4.3
326.12799	1.8
326.16516	0.9
327.13977	1.5
328.10910	2.4
328.14532	2.3
329.11557	3.0
329.15039	1.1
330.12439	1.7
330.16077	2.6
331.17041	1.4
339.13925	1.1
340.10815	0.8
340.14548	2.4
341.11798	1.3
341.15598	1.2
342.12445	6.3
342.16129	2.2
343.13120	5.9
343.16681	0.8
344.13998	2.2
344.17636	0.9
346.15503	0.9
351.14130	0.7
352.14441	1.7
354.12344	1.2
354.16129	2.0
355.12915	2.9
356.13873	5.8
357.14728	2.6
358.15500	6.9
360.17056	0.7
365.11322	0.9
366.16266	1.3
367.13272	1.0
368.17764	0.8
369.14783	1.6
370.11707	0.8
370.15533	4.4
372.17221	2.8
380.13837	1.9
382.11819	2.3
382.15997	1.1
383.12949	1.8
384.13501	2.2
385.14090	1.5
386.14798	3.5
387.15799	1.0
388.16452	1.4
390.18143	0.8
394.15616	1.6
395.16428	1.0
397.14343	1.4
398.14908	13.4
399.15738	7.1
400.16547	4.0
404.16058	1.7
407.13080	0.8
410.14804	0.9
412.16476	3.1
413.17145	1.7
414.18207	2.0
416.15848	4.7
417.16776	2.4
418.17697	1.1
422.14984	1.9
423.14432	0.9
428.16202	1.6
430.17490	1.0
440.16074	3.3
441.16583	1.1
442.17419	0.9
446.17386	1.3
458.17169	4.4
459.17661	0.8
465.11389	2.8
467.14270	1.2
488.18356	1.1
500.18442	2.1
502.19543	0.9
505.22427	1.0
518.18335	0.7
523.23486	1.0
532.20959	1.0
534.22400	1.4
542.19550	1.5
547.23401	0.9
548.19244	1.4
551.22858	0.8
554.19122	1.8
556.21179	1.0
558.22144	1.3
560.20331	5.8
566.19330	1.8
572.20239	2.7
574.21527	1.0
584.20392	3.8
590.21143	3.0
593.24182	2.0
602.21307	11.2
611.25159	0.9
620.22083	1.3
653.25714	1.7
673.26483	2.4
687.30377	0.8
691.27338	2.7
701.26465	1.4
709.28754	4.2
711.30347	5.9
713.28046	12.5
714.27832	1.4
719.26923	4.9
727.29535	6.4
728.29712	1.0
737.28064	7.1
738.27838	1.0
755.29108	100.0
756.29285	6.8
770.28961	1.3
787.30511	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	23.1
55.05502	39.8
57.03427	13.8
57.07063	3.8
59.04986	3.8
61.02919	15.6
65.03925	4.9
66.91515	1.8
67.05498	96.9
69.03422	18.3
69.07061	37.0
71.04968	8.4
73.02924	9.2
77.03909	2.2
78.85713	1.9
79.05479	63.3
81.03403	31.6
81.07043	87.3
83.04951	11.9
83.08597	20.3
85.02888	17.9
85.06541	4.1
86.09693	1.8
89.24411	1.7
91.03928	6.6
91.05470	69.4
93.07033	64.1
95.01329	2.1
95.04951	18.2
95.08592	54.7
96.08916	2.8
97.02875	20.2
97.06512	25.2
97.10154	14.5
99.04441	3.1
99.08083	3.6
99.42296	2.1
103.05428	2.4
105.06331	3.4
105.07014	66.9
107.04949	14.4
107.08578	45.0
109.02843	4.3
109.06485	7.4
109.10143	36.9
111.08067	9.9
112.18538	1.8
115.05462	3.7
116.06236	2.1
117.07005	31.9
119.08568	50.8
121.06477	7.5
121.10146	27.5
122.04736	2.0
123.08030	6.5
123.11691	9.1
125.09607	8.3
127.03899	8.0
128.06210	5.9
129.05505	2.1
129.06995	26.1
131.08542	48.9
133.06477	6.0
133.09186	1.6
133.10109	41.5
135.08032	5.8
135.11681	12.4
137.09596	7.4
139.11136	2.2
141.06960	7.8
142.07730	4.9
143.08534	26.6
145.06436	4.1
145.10088	35.9
147.08035	5.5
147.11659	26.5
149.09599	12.4
149.13249	8.9
151.11180	3.4
154.07721	3.3
155.08521	18.4
157.10115	33.4
159.08096	5.3
159.11673	29.2
161.09613	3.5
161.13222	13.9
163.11139	5.6
163.14812	2.5
165.06970	3.4
165.12740	2.3
167.08519	6.8
169.10118	22.0
170.10786	2.4
171.08026	3.0
171.10338	2.9
171.11665	21.9
173.04463	3.3
173.09598	4.8
173.11801	3.9
173.13232	14.9
175.11183	4.6
175.14734	4.5
177.12711	2.3
179.08565	3.3
179.14291	3.0
181.10117	9.5
182.10884	2.5
183.11638	22.6
185.09599	3.1
185.13252	16.3
187.11102	3.0
187.14763	8.6
189.11180	3.0
189.12759	3.0
189.16364	2.3
192.09158	2.0
193.10080	4.4
193.12228	3.7
194.10883	2.2
195.11623	10.4
197.13292	16.2
199.11151	3.1
199.13071	1.9
199.14798	8.1
201.12798	3.2
201.16376	2.3
205.12102	2.6
207.11661	5.9
207.13611	3.0
209.13228	8.6
211.14862	9.9
213.12627	2.0
213.16429	4.0
215.17900	3.1
219.11575	2.2
221.13162	6.0
223.14789	8.6
225.12608	2.6
225.16415	2.3
227.12685	5.2
227.17967	4.7
229.14275	6.0
229.19394	3.6
229.44424	2.6
233.13239	3.6
235.14740	5.0
237.16377	4.8
239.17935	6.0
241.19464	4.9
251.17987	2.5
253.19542	2.3
257.18906	9.3
259.20557	7.8
265.19489	2.2
267.15854	14.5
271.20544	2.2
273.18619	1.8
273.22095	2.5
275.17236	3.1
275.20053	33.3
276.20456	3.9
277.21786	2.8
292.18851	3.5
295.20694	2.5
301.21677	3.3
313.21426	3.6
321.22040	3.3
327.23114	2.3
331.22897	3.2
333.24472	9.4
349.23749	17.5
365.28561	2.6
375.25278	2.2
379.29938	4.4
383.29205	2.6
385.23596	3.3
421.30835	4.8
441.25983	2.6
445.30249	2.2
477.34799	2.3
481.33676	2.3
489.69254	2.4
495.34644	4.6
513.35651	39.9
515.38678	4.9
527.36963	5.5
533.39825	7.2
537.35699	2.3
541.35236	30.6
551.40674	4.7
555.36914	3.3
589.41711	2.7
607.43457	47.9
608.43347	5.3
625.44580	100.0
626.45020	6.1
733.46582	4.5
769.48102	7.7
787.50201	14.1
788.48749	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	787.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	14.5
55.05501	30.6
57.03431	15.1
57.07063	3.7
61.02924	14.2
61.74886	1.6
64.15337	1.6
65.03919	5.4
67.05495	66.2
69.03413	20.0
69.07057	29.8
69.41024	20.1
71.04994	8.9
73.02896	7.6
76.52232	1.7
78.71462	1.7
79.05481	55.9
81.03407	32.1
81.07043	68.8
83.01275	1.7
83.04966	11.9
83.08610	15.8
85.02890	17.5
85.06506	4.9
85.10255	1.9
91.03923	5.4
91.04920	3.5
91.05464	54.7
93.07030	54.4
95.04959	14.5
95.08008	2.5
95.08591	42.9
96.31156	1.7
97.02870	18.0
97.06516	17.0
97.10161	12.5
99.04435	4.9
99.08078	2.5
99.42558	1.9
101.02356	2.1
103.05402	2.0
103.40491	2.3
105.06334	3.5
105.07011	48.5
106.07327	3.2
107.04900	8.1
107.07901	2.8
107.08576	34.9
108.08958	1.8
109.02868	5.0
109.06498	8.5
109.10149	26.7
111.04452	2.3
111.08038	4.7
113.09649	2.5
115.05435	5.1
116.06195	2.6
117.07009	25.7
119.08556	37.6
120.08802	1.8
121.06490	4.6
121.10129	24.1
123.08038	7.2
123.11671	6.6
125.09613	7.2
127.03922	9.3
128.06180	6.9
129.05484	3.4
129.06979	18.4
131.08545	32.7
133.06433	3.3
133.10104	26.6
135.08015	6.6
135.11653	14.8
137.09616	3.6
139.11159	2.6
141.06943	7.3
142.07753	5.4
143.08536	24.6
144.09221	1.9
145.06476	2.0
145.10092	34.2
147.08000	4.1
147.11664	20.6
149.09613	10.9
149.13220	5.9
151.11172	2.6
155.08521	18.2
157.10114	21.1
159.08055	2.7
159.11655	22.0
161.13193	11.9
163.11147	7.6
163.14790	2.3
167.08530	5.8
168.09326	3.3
169.10081	20.2
171.08107	2.9
171.11671	22.0
173.04474	13.3
173.09674	3.5
173.11780	3.0
173.13203	14.2
175.11143	4.4
175.14832	5.2
177.12682	4.4
177.16409	1.8
179.08484	4.3
181.10143	8.9
183.11687	17.1
184.12241	1.9
185.13225	14.3
187.11127	2.8
187.14778	6.0
189.11099	4.2
189.12657	2.6
189.16408	2.2
193.10017	4.4
195.11684	8.3
197.13219	16.3
199.14801	7.4
201.16335	3.3
207.11772	4.4
209.13202	10.3
211.11095	2.1
211.14818	8.2
213.16333	4.7
217.15913	2.6
219.11775	2.1
221.13228	6.2
223.14807	6.1
225.12784	2.6
225.16318	4.8
227.12740	5.7
227.17834	5.8
229.14240	4.3
229.19588	2.9
233.15434	2.5
235.14796	3.0
235.16959	2.0
237.16264	1.9
239.14099	1.9
239.17871	4.2
241.19495	6.6
247.20482	2.3
249.16435	2.7
257.18985	5.8
259.20578	11.8
261.21817	3.2
267.15942	4.0
267.21097	3.1
271.20520	2.9
273.18481	2.9
275.17596	2.1
275.20123	20.7
276.20349	2.8
279.21057	2.2
283.20520	3.2
289.21609	2.4
291.19397	3.2
299.20245	1.9
301.21701	2.7
309.22018	2.1
313.21600	2.6
333.24506	8.8
335.25879	2.6
339.22723	2.0
349.23761	10.5
365.28336	3.0
367.22583	2.7
379.30328	2.1
403.29532	2.0
407.29688	2.3
421.30927	2.3
435.32220	3.7
437.34418	2.1
439.31903	4.2
487.34042	2.2
495.34360	5.0
513.28491	3.5
513.35608	30.1
515.38153	6.9
527.37183	8.7
531.36865	2.2
533.39642	5.9
543.36456	2.2
551.40399	5.9
589.42072	2.9
597.45178	2.3
607.43530	46.2
608.43634	3.9
625.44568	100.0
626.44763	6.8
689.41858	5.0
715.44543	2.4
733.45349	3.6
751.47394	3.6
769.48041	5.3
787.49579	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	13.8
55.05501	32.9
57.03427	8.5
57.07067	2.7
59.04978	2.5
61.02917	13.4
65.03935	2.9
67.05490	53.5
69.03416	10.5
69.07058	23.0
69.47064	11.3
71.04971	5.9
73.02900	5.6
77.03922	1.1
79.05477	44.6
80.05808	1.2
81.03399	7.7
81.07040	51.2
83.04971	6.7
83.08602	17.8
85.02886	11.8
85.06532	3.8
91.03930	5.7
91.05460	42.3
93.07028	40.3
95.04932	8.0
95.08586	34.0
97.02866	12.4
97.06506	11.8
97.10155	17.5
99.04434	1.3
99.08081	2.8
99.85497	1.1
100.10647	1.3
103.05442	1.3
105.04542	1.2
105.07008	38.0
105.07722	2.2
107.04955	5.5
107.08573	30.2
109.02860	2.4
109.06496	4.9
109.10141	17.8
111.08062	4.6
115.05437	2.3
117.06988	20.2
119.08557	29.4
119.23861	1.2
121.06534	2.3
121.10116	13.2
123.08039	4.2
123.11684	9.7
125.09589	14.0
127.03876	2.3
128.06177	6.6
129.06982	20.9
131.08542	26.5
133.10110	22.3
135.08035	3.3
135.11679	8.9
137.09579	2.3
139.11134	1.4
141.06970	6.9
142.07758	3.7
143.08543	20.0
145.10089	24.2
147.08078	1.8
147.11674	13.6
149.09544	6.9
149.13235	4.3
151.11177	3.4
153.06960	2.6
154.07755	2.3
155.08504	13.3
156.09309	2.3
157.10098	19.8
159.11664	18.6
161.09615	2.3
161.13240	7.3
163.11186	3.9
166.07738	1.4
167.08568	4.2
168.09326	2.6
169.10098	15.3
171.11647	16.8
173.09598	1.8
173.11838	1.7
173.13200	9.1
175.11230	2.1
175.14839	3.7
177.12675	1.7
179.08594	2.0
179.14250	1.9
181.10072	8.6
182.10910	2.2
183.11661	19.3
184.07355	1.4
185.13251	13.3
187.11192	1.8
187.13242	2.9
187.14810	5.4
189.11188	6.3
189.12669	1.5
191.14352	1.9
193.10080	3.7
194.10715	1.5
195.11629	9.3
197.09489	1.3
197.13231	12.8
199.11191	1.6
199.14781	9.2
201.16397	2.7
203.14140	1.3
205.10269	1.3
205.12236	1.3
207.11688	4.4
209.13281	6.7
211.14775	7.7
213.12782	1.6
213.16409	5.2
215.17897	2.7
219.11536	1.5
221.13274	3.8
222.14050	1.9
223.14772	4.2
225.16360	4.7
227.12692	7.9
227.17867	3.9
229.19476	1.2
235.14778	2.3
237.16360	3.7
239.17836	5.5
241.19505	4.3
243.15953	4.4
249.16197	1.6
251.17975	4.4
253.19374	3.3
257.18961	5.0
259.20511	9.5
263.17896	1.5
267.21069	2.7
269.18790	1.5
274.59848	1.3
275.20035	9.4
295.20483	1.8
297.21957	2.3
309.21893	2.1
315.23166	2.4
323.23645	1.7
327.23013	1.4
333.24326	7.2
335.25986	1.7
337.25275	1.7
349.23700	8.0
351.25119	1.7
357.24380	1.5
365.28320	8.6
367.26266	1.4
381.31519	4.7
383.29507	3.2
403.29608	1.4
419.58734	1.4
421.30936	5.1
439.32117	4.1
463.31647	1.7
495.34293	4.1
499.33914	1.4
513.35663	27.7
514.36096	1.9
515.38654	4.7
517.35516	1.5
527.37231	2.1
533.39948	6.5
543.36615	2.5
551.40448	3.6
553.39410	1.3
555.36536	3.0
589.42194	1.5
607.43488	34.6
608.43909	1.5
610.45441	2.8
623.42291	2.1
625.44495	100.0
626.44659	4.7
733.46051	1.6
763.40735	1.2
769.48523	3.6
787.50128	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	18.9
55.05507	40.5
57.03424	19.6
57.07069	4.9
61.02920	17.7
65.03916	7.3
67.05495	83.0
69.03422	19.1
69.07054	32.9
71.01345	3.4
71.04986	10.8
71.08619	4.7
73.02896	10.5
79.05483	58.2
81.03413	21.4
81.07046	93.2
83.04958	11.0
83.08617	21.0
85.02892	19.0
85.06517	5.3
91.03934	5.0
91.05470	60.4
93.07028	66.6
94.07327	2.1
95.04951	24.2
95.08595	50.8
96.08917	2.3
97.02883	17.2
97.06527	20.4
97.10136	10.1
98.21464	3.9
99.04443	5.2
99.08067	6.3
103.05418	4.2
105.04462	2.9
105.06327	4.3
105.07016	57.9
107.04939	10.8
107.08571	41.6
109.02849	4.8
109.06498	10.7
109.10158	22.5
111.04404	5.1
111.08072	6.5
115.05417	5.2
117.06994	31.2
119.08567	40.9
121.06486	5.0
121.10137	24.4
122.56386	1.8
123.08036	9.1
123.11663	9.3
125.09617	9.0
127.03919	5.5
128.06198	7.6
129.05496	3.5
129.07004	24.9
130.07788	4.2
131.08539	41.6
132.08913	2.3
133.06471	5.2
133.10109	37.0
135.08055	7.6
135.11682	14.7
137.09566	2.8
141.06966	8.0
142.07735	5.6
143.08539	30.2
145.06445	3.1
145.10103	41.1
147.08022	4.6
147.11658	22.6
149.02281	3.5
149.09592	8.6
149.13234	8.1
151.11192	3.4
153.06975	3.8
153.09029	2.0
154.07697	2.5
155.08530	19.2
156.09305	3.8
157.10109	29.4
159.08043	3.0
159.11681	19.4
160.76575	2.1
161.09570	4.6
161.13254	10.3
163.11163	5.8
163.14841	4.1
165.06973	2.8
165.12816	2.9
167.08586	9.5
168.09396	3.3
169.10129	21.8
171.08009	2.3
171.11665	23.1
173.04402	2.4
173.09592	3.4
173.11894	3.4
173.13249	13.0
175.11143	3.5
175.14847	3.5
177.12718	4.7
179.08575	4.2
180.09399	2.7
181.10106	12.8
183.11691	23.7
185.13220	14.6
187.11087	3.4
187.14786	6.8
189.11185	4.9
193.05000	3.7
193.10117	5.6
195.11703	11.7
197.13222	16.2
199.14786	10.9
201.16263	3.6
207.11705	5.8
209.13144	11.1
211.14795	9.9
213.12840	2.6
213.16344	7.1
219.11678	2.7
221.13211	6.0
221.83916	2.4
223.14740	9.3
225.16376	4.6
227.12743	4.6
227.17943	4.5
227.20000	9.0
228.20322	6.8
229.14395	3.9
235.14799	3.8
237.16339	6.2
239.17973	6.0
241.19417	5.5
245.13171	2.7
247.14752	3.1
251.18079	3.2
257.18982	5.4
259.20557	7.9
271.20563	2.1
273.18466	7.0
275.20047	18.5
277.21674	2.4
283.20599	2.7
291.19467	4.1
297.22104	3.3
301.21466	3.1
313.21735	3.2
315.23074	2.7
325.21487	3.1
333.24091	9.3
335.25800	2.9
337.25241	2.3
339.23083	4.2
347.22269	3.2
349.23590	9.9
365.28311	3.9
379.26105	2.6
385.23575	2.5
421.30914	5.5
435.07858	2.4
445.30774	2.4
447.32434	2.4
495.34628	3.7
496.31888	2.2
511.33817	2.4
513.35730	32.8
515.38403	7.5
525.35632	3.7
527.37567	3.5
533.39716	7.7
543.37158	2.3
551.40424	6.9
553.38611	4.2
571.39850	2.8
589.42035	4.9
597.44330	2.8
601.74078	2.2
607.43567	48.8
608.43860	3.8
625.44568	100.0
626.44757	8.7
668.15387	2.2
733.45801	4.7
769.48419	9.6
787.49707	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	17.9
55.05505	39.8
57.03429	14.3
57.07067	3.6
59.04987	2.1
61.02920	18.1
61.91633	1.6
64.95338	1.8
65.03934	3.2
67.05496	76.9
69.03423	16.1
69.07059	32.4
70.23862	1.7
71.01359	2.0
71.04983	8.8
73.02898	9.5
77.03902	1.6
79.05484	63.5
80.05807	1.9
81.03410	25.9
81.07047	73.0
83.04959	11.9
83.08598	20.0
85.02893	19.1
85.06554	4.3
91.03943	7.2
91.05469	62.2
91.06042	3.3
93.06430	2.8
93.07030	58.6
95.04955	15.3
95.08592	51.1
97.02871	18.5
97.06515	16.4
97.10157	15.1
97.95852	1.8
98.21438	4.6
99.04435	5.5
99.08065	2.5
101.02361	2.5
103.05430	3.5
105.07013	55.0
106.07300	2.1
107.04933	11.3
107.08582	39.5
109.02865	6.8
109.06480	8.6
109.10135	26.4
111.08069	5.1
115.05505	2.0
117.07011	25.8
117.88677	1.9
119.08559	38.4
121.06500	5.4
121.10130	22.9
123.08060	7.8
123.11702	8.2
125.09642	8.4
127.03906	7.0
128.06207	7.0
129.06976	24.0
131.08551	43.2
133.06448	3.2
133.10114	38.9
135.08066	6.8
135.11673	11.4
137.09590	4.4
141.06982	9.7
141.07936	1.8
142.07767	8.1
143.08540	28.3
145.04990	2.0
145.06474	3.0
145.10100	34.7
146.10437	2.1
147.08052	4.9
147.11668	22.8
149.02386	4.1
149.09586	7.0
149.13226	7.2
151.11154	2.7
153.06996	2.9
154.07748	2.3
155.08531	19.5
156.09311	3.1
157.06549	2.4
157.10117	28.4
159.11659	27.6
161.09605	4.7
161.13213	15.8
163.11200	5.1
165.12779	2.2
166.07765	1.9
167.08549	7.9
168.09288	2.9
169.10120	20.6
171.11656	23.9
173.04497	5.9
173.09613	2.6
173.11771	2.5
173.13257	15.9
175.11205	3.9
175.14795	4.4
177.12767	3.3
179.08598	4.6
181.10129	12.0
183.11649	17.9
185.09634	3.2
185.13217	15.7
187.11220	2.1
187.13319	2.8
187.14847	5.3
189.11180	4.6
189.16304	2.3
193.04929	2.3
193.10205	4.0
195.11676	11.9
195.32027	1.9
197.09636	2.4
197.13206	17.6
199.11197	2.3
199.14787	9.7
201.16365	3.9
205.10185	2.6
206.10870	2.1
207.11671	3.7
209.13217	10.5
211.11238	2.2
211.14865	9.1
213.16415	5.9
221.13297	3.8
223.14786	6.6
225.12730	2.4
225.16394	6.4
227.12584	8.7
227.17987	3.3
229.14273	2.8
229.19510	2.8
235.14818	5.0
237.16432	5.5
239.18007	5.0
241.19598	3.0
251.17947	3.3
253.19536	2.3
257.18948	4.2
259.20605	9.7
261.22028	2.3
265.19412	2.9
267.20966	2.9
273.18466	3.0
273.22000	1.8
275.20139	16.1
291.19629	2.4
297.18701	2.0
297.21918	2.9
313.21625	2.0
315.22971	2.4
325.21680	2.1
333.24231	12.6
335.25870	2.7
349.23788	6.1
365.28238	3.3
367.22559	2.3
377.14798	1.9
379.30084	3.2
421.30994	5.1
435.32190	2.8
439.32147	2.1
487.34122	2.0
493.28247	1.9
495.34705	3.2
501.35294	2.1
509.36191	2.0
513.35675	29.3
515.37817	6.8
527.37091	7.7
533.39795	8.1
551.40619	5.1
597.45276	4.4
607.43408	52.0
608.43610	4.7
625.44580	100.0
626.44672	7.8
689.42297	3.1
733.46521	3.7
769.47919	6.2
787.49713	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	787.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	27.3
55.05505	37.1
55.91055	2.2
57.03434	17.3
57.07065	3.2
61.02922	11.2
65.03946	3.9
67.05499	82.5
69.03425	20.3
69.07064	44.9
69.71132	16.8
71.01342	2.7
71.04984	9.6
71.44182	1.9
73.02905	6.0
79.05487	73.2
79.13121	2.2
81.03414	51.9
81.07047	100.0
81.42964	2.1
83.04971	16.4
83.08609	20.2
85.02897	15.6
85.06548	5.1
91.03934	5.1
91.05468	78.7
92.05778	2.4
93.07035	74.2
93.26794	2.1
95.01328	3.8
95.04971	19.8
95.08598	58.9
97.02872	18.8
97.06520	31.1
97.10164	7.6
99.04453	6.9
99.08092	5.6
103.05434	5.1
105.07018	86.5
106.07362	3.2
107.04961	13.6
107.08581	42.2
108.00958	2.1
109.02858	6.5
109.06512	11.1
109.10149	23.0
110.81664	2.3
110.88400	2.2
111.04383	2.3
111.08063	8.8
115.05436	3.3
117.07000	28.1
119.08572	56.2
121.06498	6.9
121.10138	27.4
123.04382	2.1
123.08037	7.5
123.11714	9.4
125.09675	2.5
127.03888	8.6
128.06224	7.2
129.05467	3.1
129.06998	20.0
129.89041	1.8
130.07727	2.1
131.08559	46.2
133.06483	3.8
133.10120	50.1
135.08072	9.1
135.11667	18.7
137.09624	6.0
139.11163	3.9
141.06960	5.3
142.07835	2.5
143.08542	20.8
145.06467	5.1
145.10120	34.9
147.07983	5.1
147.11674	28.9
149.09608	9.2
149.13242	10.8
151.11137	7.1
155.08554	14.4
157.10104	22.5
159.08109	2.6
159.11671	27.1
161.09644	4.1
161.13252	17.3
163.11179	6.1
163.14737	2.5
165.06976	3.0
165.12695	5.9
167.08548	8.2
169.10112	19.8
171.08076	4.1
171.11624	16.9
173.04449	15.0
173.05843	3.3
173.09555	3.4
173.13242	18.5
175.11194	3.4
175.14851	7.5
176.60507	2.0
177.12737	5.8
179.08516	2.8
179.14305	6.2
180.09154	2.6
181.10112	8.1
182.10841	2.6
183.11632	14.7
184.07233	2.4
184.73994	2.2
185.09607	2.4
185.13190	10.6
187.11203	5.0
187.14825	6.5
189.12677	5.2
193.10153	5.4
193.12155	2.8
195.11703	10.0
195.13554	3.3
197.13220	13.7
199.11172	3.9
199.14821	7.9
200.15413	2.5
201.12903	2.3
201.16389	3.4
205.10155	2.9
207.11786	3.7
209.13339	4.3
211.14891	6.4
213.12781	3.2
213.16405	3.3
215.17921	2.7
221.13309	5.0
223.14803	4.7
225.12724	2.2
225.16376	5.7
229.14256	3.0
229.19447	2.3
231.21037	3.7
233.13284	2.8
235.14789	2.8
237.16354	4.9
239.17969	3.1
241.19493	13.1
251.17978	3.0
253.14305	3.7
257.19046	7.7
259.20557	18.1
261.22070	4.3
267.15860	7.2
269.17426	5.0
271.20633	2.7
273.18613	3.9
275.20059	38.7
301.21689	5.0
311.23648	2.6
315.23138	7.5
333.24347	20.1
335.25665	6.7
349.23804	17.6
357.24518	2.1
367.22495	3.9
413.21661	3.3
421.30719	3.0
435.32718	3.0
511.37531	2.6
513.35339	11.5
515.38446	2.5
527.37476	14.9
529.38269	2.9
533.39581	5.9
545.38068	4.2
551.40601	6.2
579.69977	2.7
589.41827	2.4
597.45111	3.4
607.43610	48.0
608.44110	2.9
625.44598	60.1
626.45087	4.8
671.41162	4.7
689.42804	10.4
751.47864	3.7
769.48047	6.6
787.49554	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	787.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	40.1
55.05501	26.6
57.03436	11.1
57.07059	5.7
61.02908	7.0
65.03926	3.2
67.05495	62.6
69.03413	5.6
69.06687	3.1
69.07056	51.7
71.04978	4.7
73.02897	4.4
74.72386	2.1
79.05481	57.8
81.03401	16.8
81.07043	81.1
83.04949	9.8
83.08588	12.7
85.02889	8.8
85.06518	5.1
91.03937	3.7
91.05462	89.9
93.07029	64.7
95.01312	9.1
95.04956	18.4
95.08589	56.0
97.02867	7.3
97.06517	58.9
97.10168	6.3
99.08076	2.8
105.04542	2.4
105.07011	100.0
107.04942	20.8
107.08578	38.4
109.06493	5.5
109.10116	16.2
111.04403	2.1
111.08079	6.5
115.05424	4.3
117.07012	27.5
119.08562	61.6
121.06506	5.4
121.10119	16.7
123.04405	3.7
123.08051	8.2
123.11705	4.4
125.09592	4.8
128.06218	2.7
129.06981	11.8
130.07722	2.5
131.08549	39.0
133.06462	3.1
133.08580	2.5
133.10109	62.9
133.11160	3.0
135.08022	7.5
135.11687	12.8
137.09615	6.9
139.07526	2.0
141.06984	5.6
142.07764	2.0
143.08583	12.6
145.06430	3.7
145.10094	36.3
147.08014	3.1
147.11668	28.8
149.09639	10.1
149.13217	9.8
151.11241	3.2
155.08522	6.9
157.10118	14.3
159.07933	2.4
159.11656	22.6
161.09583	2.2
161.13203	17.4
163.11166	6.9
163.14761	2.6
167.08598	2.9
169.10085	9.6
171.10422	2.4
171.11655	14.6
173.13252	12.3
175.14804	9.4
177.12711	5.1
179.14262	10.9
181.10081	6.1
183.11594	10.0
185.13226	8.1
187.11185	3.4
187.14758	5.1
195.11696	4.5
197.13220	6.4
197.67918	2.0
199.14806	4.8
209.13210	3.9
210.83017	1.9
211.14799	4.7
223.14861	3.7
241.19363	17.7
247.20444	3.9
257.18964	11.4
259.20544	24.0
275.20029	73.8
277.21609	2.4
279.15775	2.9
293.21304	3.0
315.23145	11.4
333.24152	38.4
335.25943	2.7
339.23083	3.8
349.23703	41.0
351.25476	3.2
410.18845	2.3
437.34253	5.0
511.37640	5.5
513.35687	7.2
533.39923	5.2
551.40454	3.7
554.27185	2.1
607.43542	58.3
625.44543	40.1
787.49231	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	787.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	19.8
55.05502	39.7
57.03433	17.2
57.07068	5.6
58.57650	1.9
61.02917	14.8
65.03935	6.3
67.05496	95.9
69.03423	22.9
69.07061	40.9
71.04978	8.6
73.02930	10.4
79.05482	67.4
81.03407	33.1
81.07046	87.8
83.04983	13.4
83.08609	24.7
85.02897	25.4
85.06512	6.0
91.03934	10.1
91.05466	72.3
93.07034	65.6
95.04958	16.1
95.08592	62.4
97.02883	18.4
97.06527	20.7
97.07117	3.2
97.10165	13.8
99.04442	4.0
99.08060	4.2
101.02384	4.3
103.05453	3.5
105.07014	57.8
107.04933	11.9
107.07900	3.9
107.08582	45.1
109.02873	5.5
109.06506	9.5
109.10130	33.5
111.04470	2.5
111.08060	7.0
115.05458	5.2
115.07692	2.4
117.06998	32.4
119.08568	52.6
121.06522	5.0
121.10123	21.8
123.04523	3.2
123.08067	8.5
123.11665	9.0
125.09583	9.8
127.03899	6.2
128.06223	6.9
129.05487	2.9
129.06989	29.8
130.07704	3.5
131.04897	2.1
131.08546	46.9
132.08992	2.2
133.06476	4.7
133.10107	34.8
135.08028	8.9
135.11684	19.0
137.09596	6.7
139.11188	2.4
141.06900	10.9
142.07774	7.2
143.08548	30.4
144.09225	2.7
145.04929	2.9
145.06425	3.3
145.10100	38.5
147.08020	3.4
147.11676	26.8
149.09612	10.0
149.13232	6.3
151.11186	2.7
153.07076	2.8
153.09099	2.8
154.07718	3.2
155.08540	20.6
156.09352	2.9
157.10112	29.0
159.08002	3.7
159.11656	30.7
161.09557	3.1
161.13232	14.2
163.11185	7.2
165.07007	4.2
165.12698	2.4
167.08559	7.5
168.09325	2.5
169.10117	18.8
171.11679	27.1
173.04440	6.3
173.09660	5.7
173.11800	4.5
173.13246	16.0
175.11168	5.7
175.14754	7.5
177.12750	4.9
179.08574	4.2
181.10135	12.3
183.11656	19.4
185.09645	3.1
185.13213	17.0
187.11206	5.3
187.14758	8.7
189.11215	2.6
189.12775	3.0
189.16336	2.5
193.10063	5.1
195.11681	8.6
197.13255	16.3
199.14746	10.7
201.12668	3.0
201.16383	4.6
203.17934	2.7
205.10033	2.7
207.11685	6.4
209.13211	11.4
211.14792	9.3
213.12556	3.1
213.16409	7.9
215.14232	2.4
215.17812	2.4
219.11653	5.1
221.13278	5.6
223.14825	7.3
225.16452	5.3
227.12740	8.5
227.17931	4.3
229.14293	7.0
229.19481	3.4
235.14798	4.0
236.26591	2.4
237.16457	4.6
239.18056	5.3
241.19453	6.4
251.18002	4.5
253.19370	3.8
257.19034	7.5
259.20532	12.4
261.22061	2.7
267.15900	2.5
271.16919	2.5
271.20422	3.3
273.18390	4.1
275.20108	17.9
281.19318	2.2
283.20499	3.2
299.20227	2.8
315.23215	4.1
321.22009	2.7
323.23865	4.0
327.23105	2.5
333.24182	5.6
335.25760	4.6
341.24445	2.5
347.22855	2.6
349.23596	8.2
365.28491	2.6
379.30219	4.2
381.31586	3.5
408.28735	2.8
421.31104	4.2
435.32477	3.8
487.33798	3.7
501.35251	3.6
513.35706	24.7
515.38348	9.9
527.37048	11.4
531.36444	2.9
533.39667	8.2
545.38275	2.6
551.40381	6.1
555.36853	3.9
589.42651	3.2
607.43506	53.7
608.43652	4.6
609.44867	4.4
625.44611	100.0
626.44482	9.5
697.43219	2.6
769.48053	7.2
787.49689	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	787.497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	45.4
55.05501	35.9
55.92590	2.4
57.03433	15.8
57.07058	5.3
60.05632	2.4
61.02917	19.0
65.03921	7.4
67.05493	100.0
67.76439	2.7
68.99814	2.3
69.03423	16.0
69.07058	42.7
71.04971	7.4
71.08622	3.7
71.17301	4.8
73.02884	10.6
79.05480	76.6
81.03414	13.9
81.07040	72.4
83.04965	11.7
83.08602	15.7
85.02876	19.2
85.06503	5.6
91.05461	76.3
93.07026	68.5
95.04949	33.2
95.08585	49.6
97.02861	15.9
97.06509	65.8
97.10159	13.6
99.08081	3.8
101.02330	4.5
103.05479	3.0
103.09878	2.4
105.07006	69.0
107.04930	16.4
107.08565	42.8
109.06448	13.0
109.10138	25.8
111.08054	7.8
115.05379	3.3
117.07001	33.8
119.08561	51.4
120.81841	2.8
121.06499	5.6
121.10130	22.8
123.08038	6.9
123.11689	6.2
125.09605	9.0
127.03905	5.3
128.06206	4.6
129.06961	22.8
130.07733	3.6
131.08549	37.0
133.06418	3.9
133.10123	35.3
135.08028	6.1
135.11691	17.9
137.09599	5.5
141.06953	10.1
142.07779	3.7
143.08536	25.1
145.04927	3.8
145.06429	4.7
145.10091	38.5
147.08017	6.5
147.11652	21.7
149.09592	17.1
149.13216	9.9
151.11179	3.4
155.08528	17.4
156.09297	2.8
157.10100	27.2
159.07959	5.3
159.11668	27.7
161.09546	3.7
161.13232	16.1
163.11163	11.0
163.14851	4.1
167.08543	8.5
168.09331	3.0
169.10081	23.4
171.11662	20.7
173.04404	3.0
173.13217	15.2
175.11203	5.3
175.14713	6.1
177.12714	5.8
179.08514	5.2
179.14154	2.7
181.10115	10.3
183.11699	17.0
184.07295	7.4
185.13197	14.5
187.11230	3.4
187.14825	7.5
189.11179	3.0
193.10051	4.6
195.11661	9.1
197.13109	13.6
199.14784	7.3
201.12682	3.6
207.11700	4.9
209.13249	8.6
211.14801	6.5
213.16408	5.5
221.13261	3.8
223.14804	7.3
225.16364	6.4
235.14870	3.1
241.19542	8.2
257.18945	6.0
259.20535	15.3
273.18436	14.5
275.20020	37.9
287.19971	2.8
291.19455	5.7
293.20987	3.6
299.20087	3.4
315.23141	6.3
321.22162	3.2
333.24246	16.5
335.25900	12.4
337.25229	3.0
347.22250	4.2
349.23816	15.7
401.18451	2.7
421.30945	7.6
439.31467	4.0
495.34653	4.6
501.35999	3.4
513.35693	64.2
514.35999	5.6
515.38489	4.3
527.37628	4.8
533.39703	6.3
537.36005	3.0
568.25427	2.9
597.45087	2.6
607.43500	64.9
608.43085	5.4
623.04620	2.6
625.44525	92.5
626.44434	3.5
715.45892	4.0
769.47827	6.3
787.50079	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	787.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	15.5
55.05502	38.7
56.93200	1.9
57.03423	15.1
57.07062	3.9
59.04993	2.5
61.02919	11.1
65.03931	6.9
66.15248	1.9
67.05495	100.0
68.05820	3.3
69.03414	20.4
69.07059	35.1
69.38359	3.5
69.38760	20.2
71.01331	2.1
71.04969	13.4
73.02913	7.8
79.05479	79.4
80.05819	4.3
81.03407	31.1
81.07043	85.3
82.07388	4.1
83.04971	14.8
83.08610	19.4
85.02885	15.5
85.06532	7.7
86.09714	2.0
91.03931	5.7
91.05468	78.0
92.05787	3.6
93.07033	74.9
94.07369	3.6
95.04960	21.4
95.08596	50.0
96.08936	2.8
96.90172	1.6
97.02869	15.4
97.06519	22.4
97.10142	14.8
98.21541	1.9
99.04438	3.8
101.02341	3.1
105.07017	69.1
106.07367	3.1
107.04947	15.9
107.08575	44.4
108.08901	3.3
109.02875	4.8
109.06529	10.0
109.10131	32.0
111.04427	4.8
111.08062	8.6
113.09638	2.4
115.05463	5.2
115.07590	2.8
116.06237	2.2
117.07000	28.6
119.08567	49.3
120.08819	2.1
121.06497	7.6
121.10118	23.3
123.08041	10.5
123.11698	8.4
125.09611	13.8
127.03924	6.9
127.07465	2.0
128.06207	5.5
129.06995	22.6
130.07787	2.8
131.04901	2.4
131.08551	43.3
133.06465	6.0
133.10109	38.2
135.08060	7.9
135.11690	15.5
137.09599	6.2
139.11279	2.6
141.06966	12.3
142.07738	6.8
143.08553	27.0
144.09209	2.8
145.06500	3.4
145.10100	36.6
147.08055	5.5
147.11687	22.8
149.09627	11.6
149.13213	6.7
151.07440	2.4
151.11212	4.8
153.06953	3.2
154.07794	3.9
155.08528	13.7
157.10123	23.7
158.10561	3.8
159.08049	6.2
159.11667	22.0
161.09592	6.0
161.13271	9.4
163.11206	7.6
165.06932	2.9
165.12761	2.6
167.08554	8.3
168.09290	2.9
169.10127	18.6
171.08023	2.4
171.11656	23.5
173.04382	3.6
173.09622	5.4
173.11749	5.4
173.13266	16.6
174.04913	1.9
175.11197	5.2
175.14836	4.5
177.12788	2.4
178.07820	1.9
179.08444	3.8
181.10129	8.7
182.10828	2.5
183.11667	19.5
184.07306	5.4
185.13248	12.9
187.11134	5.4
187.14799	6.6
189.11235	5.9
189.12695	4.0
193.10051	5.1
193.12094	2.1
195.11586	10.7
197.09610	2.3
197.13203	13.1
199.11288	2.9
199.14870	8.9
201.16388	3.6
207.11763	4.7
207.13814	3.7
209.13240	7.3
211.11267	2.5
211.14833	8.7
213.12784	2.6
213.16360	5.8
215.18066	2.4
219.11642	2.8
221.13274	4.6
223.14903	3.7
225.16386	5.5
227.12686	11.2
229.14294	5.7
229.19540	3.3
235.14758	4.5
237.16310	2.6
239.17970	6.0
241.19496	4.5
245.19058	2.0
253.19630	3.1
255.17494	2.5
257.19022	6.4
259.20584	10.1
267.16153	2.4
273.18512	5.0
275.20062	20.5
276.20374	2.4
281.17480	4.0
283.15240	2.7
291.19431	5.2
297.22058	2.1
313.21512	3.5
321.21658	2.3
323.23782	2.6
333.24161	8.4
339.23273	3.1
349.23926	12.4
349.45706	2.3
365.28418	5.1
367.23511	2.1
379.30020	4.4
381.31610	3.2
405.31613	2.2
421.31067	3.9
441.26477	2.2
476.30591	3.2
513.35657	15.1
515.38336	4.0
527.37042	2.7
533.39795	7.5
541.35992	1.8
543.36438	3.2
551.41113	4.6
555.36078	2.0
573.33826	2.4
607.43506	36.6
625.44519	71.3
626.44720	4.4
632.89526	2.0
769.48022	6.3
787.49762	12.0
793.65912	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	24.0
55.05504	54.4
57.03428	25.8
57.07058	2.7
59.04991	5.0
61.02918	9.7
65.03919	5.7
67.05499	100.0
69.03414	13.1
69.07059	79.3
71.01344	3.0
71.04977	12.0
71.70664	1.7
73.02898	6.2
79.05484	80.8
80.05830	1.8
81.03408	33.5
81.07044	89.2
82.07380	2.3
83.01332	16.1
83.04510	2.1
83.04971	29.2
83.08608	30.7
85.02898	16.6
85.06525	6.1
86.09696	3.6
86.64857	1.2
91.03925	3.4
91.05467	79.6
92.05777	2.4
93.07032	84.4
94.07371	1.7
95.01329	2.0
95.04957	26.6
95.08595	58.8
96.08900	2.2
97.02868	13.3
97.06519	27.5
97.10155	14.4
97.76979	1.2
99.04450	5.8
99.08067	4.1
101.83147	1.4
103.05459	3.3
105.04487	1.6
105.07016	65.4
107.04942	25.0
107.08577	52.1
107.09328	1.9
108.08884	1.5
109.02856	3.8
109.05837	1.7
109.06517	19.3
109.09401	2.3
109.10134	41.0
111.04424	5.6
111.08075	12.2
113.05969	1.5
115.05435	2.9
116.04682	2.3
117.07009	30.8
119.04885	1.7
119.08565	48.6
120.05746	1.4
121.06496	11.6
121.10117	24.9
123.04450	2.0
123.08060	21.7
123.11659	4.0
124.99963	2.8
125.05978	4.1
125.09600	12.9
127.03890	4.0
128.06215	2.3
129.05450	4.9
129.06979	11.1
130.07739	4.3
131.04912	2.2
131.08549	26.6
132.08910	2.0
133.06456	4.0
133.10098	28.2
135.04411	2.6
135.08051	9.8
135.11670	25.1
137.09605	19.9
139.07538	2.9
139.11195	1.7
141.06985	1.5
142.07773	2.4
143.07574	1.3
143.08521	8.3
145.06419	3.6
145.10106	42.5
147.08002	5.8
147.11674	16.2
149.09607	24.5
149.13228	5.0
151.11148	5.8
153.12680	4.4
155.08566	6.3
155.10631	1.8
157.08685	1.4
157.10057	7.1
159.08005	1.7
159.11703	10.4
161.09573	5.7
161.13245	6.7
163.11171	48.3
165.09114	2.9
169.10110	4.2
169.12187	1.6
171.10257	2.0
171.11649	7.1
173.04373	1.9
173.09579	6.0
173.11713	9.1
173.13248	5.5
175.11194	4.5
177.12715	4.3
179.14270	7.0
181.12213	6.1
183.11679	4.8
184.07332	11.9
184.13260	1.5
185.13237	1.9
187.11183	3.5
189.11143	3.9
189.12686	2.5
191.10617	5.3
193.12189	3.5
195.13777	3.3
197.13155	2.1
199.13216	1.5
199.14958	1.3
203.14439	1.2
205.12158	1.6
209.11691	13.3
211.13318	4.0
213.16356	1.6
215.14249	1.7
221.76735	1.4
223.13246	7.5
224.13637	1.8
227.12772	14.9
229.14305	8.7
229.19537	2.8
239.17998	3.9
247.20610	3.5
249.14731	1.5
253.14355	4.3
255.15804	1.6
257.18930	11.9
259.20676	1.4
263.20010	1.5
265.14221	1.6
267.15933	3.0
269.17480	1.9
273.18533	7.5
275.20026	41.0
276.20313	2.7
283.15378	90.0
291.19504	23.6
293.20889	5.8
297.16864	3.5
301.16345	4.5
331.22549	2.1
333.24213	1.2
349.23718	47.9
350.24005	2.0
365.23199	9.4
379.21088	11.8
405.34598	1.4
437.25284	25.5
451.26465	3.4
461.28934	14.5
477.28476	2.9
493.30334	1.5
505.27969	2.0
539.33612	3.1
541.35364	1.8
557.34656	45.3
558.34937	2.0
573.34625	4.7
575.35675	7.8
591.35095	5.2
641.31616	1.7
756.59558	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	19.6
55.05235	1.8
55.05502	35.7
57.03430	28.3
59.04984	6.6
61.02912	6.4
65.03928	5.7
67.05495	81.6
69.03418	24.2
69.07062	46.3
71.01339	4.7
71.04987	31.2
71.70308	1.7
73.02901	6.8
77.03876	2.2
79.05484	83.0
81.03406	43.9
81.07045	78.9
81.07538	2.4
83.01334	9.6
83.04969	28.2
83.08608	24.8
85.02892	21.4
85.06527	5.2
86.09692	3.3
91.05469	77.2
93.07032	74.6
95.04955	38.6
95.08601	32.4
97.02880	16.2
97.06516	100.0
97.10150	8.5
99.04449	8.9
99.08079	6.4
103.05437	2.6
105.04532	2.5
105.07011	50.9
107.04946	21.8
107.08580	44.2
109.02892	8.0
109.06505	27.2
109.10124	17.8
110.34368	1.4
111.04436	5.4
111.08057	14.6
113.02316	1.7
113.05967	5.4
115.05440	4.9
115.07560	22.2
117.07002	28.8
119.04923	3.4
119.08561	41.1
121.06492	12.5
121.10122	19.2
123.04411	2.9
123.08047	13.8
123.11700	4.7
124.99960	2.3
125.05972	2.7
125.09638	10.3
127.03892	7.4
127.07512	1.8
128.06203	4.1
129.05446	2.5
129.06981	15.1
130.07739	2.7
131.04948	2.4
131.07034	1.6
131.08542	25.5
133.06464	7.6
133.10110	28.2
135.04388	3.0
135.08040	19.2
135.10747	2.3
135.11678	20.5
137.05943	2.3
137.09618	4.3
139.07454	3.1
140.27837	1.5
141.06963	2.9
142.07738	2.5
143.08551	12.4
145.04875	2.3
145.06549	7.2
145.10101	26.9
147.08038	12.9
147.11659	8.7
149.06042	1.5
149.09564	9.2
149.13245	6.5
149.90475	1.5
151.07541	2.7
151.11147	7.8
153.12738	2.5
155.08504	7.1
157.10092	11.8
159.08038	4.8
159.11668	10.3
161.05972	2.1
161.09589	9.9
163.03929	3.1
163.11177	31.8
167.08484	2.0
169.10124	4.3
169.12190	2.1
171.11641	7.0
173.04434	8.4
173.09515	8.3
173.13251	4.8
175.07509	2.3
175.11169	7.7
177.09166	2.9
177.12697	4.4
181.12247	5.4
183.11710	2.7
184.07336	5.4
185.09691	2.7
185.13229	4.2
187.11275	1.6
189.11205	4.3
189.12700	2.0
191.10658	5.5
193.12267	12.6
195.11833	1.7
195.13756	3.2
197.13322	2.4
199.11243	1.7
201.12669	2.2
209.11662	10.8
211.13228	8.2
217.15811	9.4
219.13707	2.5
227.12758	15.7
233.15363	6.6
245.13828	2.3
245.18967	3.0
253.14235	11.2
255.17509	4.8
261.18597	2.4
263.20044	2.4
267.15912	5.6
269.17426	17.3
271.16870	4.9
273.18457	37.8
275.20084	4.2
283.15372	86.2
285.17075	7.8
289.17957	9.3
291.19510	19.0
295.05939	1.5
295.19125	3.2
299.14981	4.8
303.19537	2.2
307.19012	7.5
311.12628	2.4
329.21213	1.8
339.18301	2.2
347.22061	12.2
349.23480	2.1
355.15311	8.3
363.21747	4.3
365.23291	10.5
381.22601	4.9
383.24222	1.9
463.27036	4.6
477.28403	35.4
479.25821	1.7
493.27896	5.4
499.30844	1.7
503.30017	1.8
505.27863	4.2
515.29980	5.1
555.33099	10.7
573.34064	23.7
574.34760	1.8
591.35175	9.9
625.82599	2.0
735.39807	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	8.2
55.05503	28.9
57.03428	16.8
57.07061	1.3
58.20422	1.0
59.04991	16.0
61.02903	2.2
65.03926	3.0
67.05493	45.5
68.05841	1.2
69.03422	6.7
69.07063	9.7
70.28132	3.0
71.01340	2.4
71.04987	12.1
73.02898	1.2
75.01834	1.0
79.05479	35.3
79.50789	0.9
81.03406	48.7
81.07040	38.0
83.01320	4.9
83.04504	1.6
83.04972	20.7
83.08607	28.8
85.02890	23.9
85.06525	2.7
85.50281	1.0
86.62961	1.0
87.04458	12.1
91.05466	30.9
93.07031	27.4
93.07588	2.0
95.04951	25.4
95.08588	16.2
97.02872	6.5
97.06510	8.2
97.10157	14.6
99.04445	7.7
99.08082	2.3
103.05449	2.4
105.04516	1.2
105.07016	21.8
107.04942	11.0
107.08571	19.3
109.02789	1.7
109.06494	9.4
109.10137	21.5
111.04433	9.9
111.08056	10.0
113.05984	2.3
115.05453	2.0
117.07007	10.3
119.04938	2.2
119.08559	25.8
121.06451	5.1
121.10125	12.6
123.04423	1.5
123.08026	6.6
123.11685	1.9
125.05972	1.8
125.09628	13.0
128.06192	1.8
129.05458	1.1
129.07005	11.7
131.04935	1.7
131.08553	10.6
133.06503	5.0
133.10101	9.7
135.04329	1.6
135.08046	6.2
135.11685	8.6
137.05931	2.1
137.09595	5.7
142.07745	2.5
143.08556	2.6
145.06424	4.2
145.10103	15.0
147.04446	1.8
147.08034	4.9
147.11674	11.7
149.02306	1.3
149.09604	6.6
151.07594	1.2
151.11269	1.1
153.12770	5.1
155.08585	2.1
157.10109	9.9
159.08041	5.4
161.09624	1.3
163.03877	2.9
163.07545	1.2
163.11159	19.0
165.12772	1.7
173.09552	5.7
173.11705	7.6
175.11186	10.1
175.80638	1.0
178.90356	1.1
178.91888	1.1
179.10597	1.1
181.12196	5.1
184.07390	1.7
187.88712	1.0
189.08971	1.1
189.11205	2.6
191.10687	4.5
193.12219	31.7
199.13232	3.3
209.11676	9.5
211.11220	2.3
211.13263	45.7
220.16934	1.0
223.13223	1.8
227.12747	14.2
229.14278	14.3
231.13802	1.0
267.15881	21.7
271.16968	3.5
283.15372	27.9
284.15768	1.5
285.16919	46.6
289.17938	13.7
307.18964	7.5
333.19299	1.5
350.99026	1.0
355.15286	1.5
363.21616	4.7
371.23917	1.6
381.22705	20.2
383.24503	4.9
401.23184	1.3
457.25586	4.1
475.26898	21.8
493.27887	100.0
494.28253	4.3
555.33252	7.4
573.34100	17.1
591.35193	22.9
592.35736	2.1
756.28766	1.6
788.25201	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.7
55.05504	27.4
57.03428	10.6
65.03923	3.3
67.05498	85.0
69.03412	5.1
69.07059	30.4
69.56547	13.7
71.04977	6.7
73.06525	2.1
77.03928	1.6
79.05486	92.0
81.03400	13.2
81.07048	83.9
81.07536	3.1
83.04976	15.9
83.08607	17.0
85.02918	2.5
85.06520	4.7
86.09669	1.6
91.05471	72.7
92.05803	1.7
93.07035	85.5
95.04965	25.8
95.08598	46.1
96.26334	1.6
97.02888	2.8
97.06525	14.6
97.10149	7.3
98.20640	2.7
99.04422	1.7
99.08049	3.2
103.90369	1.5
105.06333	3.2
105.07019	54.8
107.04926	12.2
107.08581	40.5
109.06516	13.7
109.09497	2.4
109.10155	26.0
110.04973	1.6
111.08059	6.5
115.05418	1.9
117.07012	16.0
119.08565	36.2
121.06478	5.7
121.10142	15.4
123.08051	10.2
123.11688	5.1
124.99963	2.5
125.09581	3.3
127.03938	1.8
127.07491	1.8
128.06223	2.1
129.06990	17.1
131.08549	16.4
133.06482	2.6
133.10117	25.1
135.08037	3.6
135.11668	7.3
137.09607	4.3
141.09044	1.6
143.08534	11.4
145.10115	18.6
147.08014	4.0
147.11676	42.4
149.09584	8.9
149.13232	9.4
151.11163	2.7
155.08563	1.6
157.10141	4.0
159.11644	8.1
161.09575	5.4
161.13283	11.9
163.03862	1.9
163.11139	7.5
169.10107	3.9
171.11673	23.0
173.11700	4.9
173.13155	1.5
175.11098	2.0
177.12776	4.1
183.11797	2.1
184.07289	8.8
185.44556	1.6
189.11215	3.1
189.12694	5.8
193.12267	2.0
195.13835	2.5
207.13788	22.3
211.13243	1.7
225.14899	1.6
227.12753	6.2
229.14374	9.4
229.19762	1.7
239.17902	2.6
257.19006	6.0
269.17459	14.2
275.20029	34.7
281.17441	69.1
281.67361	1.6
283.15561	1.9
293.21030	1.9
331.22571	1.8
349.23752	16.9
361.19092	1.7
367.24738	5.9
435.21326	2.1
435.27374	44.0
451.26663	1.6
457.28906	3.2
475.30524	100.0
476.30737	4.6
493.27863	1.9
537.35358	3.2
555.36835	51.2
556.36804	2.2
573.38196	18.9
619.34863	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	788.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.6
56.25369	0.1
57.07071	0.2
58.06616	0.5
59.07373	0.1
60.08155	5.5
67.05499	0.3
69.55681	0.9
69.56086	0.3
71.07360	3.3
74.39805	0.1
86.09693	28.1
86.30618	0.1
87.10017	0.3
91.05503	0.2
98.21517	0.2
98.98457	3.1
104.10724	2.6
116.99497	0.2
124.99986	19.4
143.01028	0.5
174.39378	0.1
184.07317	100.0
185.07639	0.8
274.60461	0.1
478.32956	0.2
496.33932	0.3
666.75861	0.2
690.47211	0.9
732.13831	0.1
763.78235	0.2
770.52588	0.5
788.54297	2.5
789.53680	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	789.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
57.03420	2.0
57.72203	1.0
62.67004	1.0
65.03926	2.2
67.05484	3.7
69.03405	3.0
69.07069	1.3
69.59840	6.9
69.60253	2.2
71.04968	1.9
77.03909	1.0
79.05479	5.8
80.05004	3.0
81.03410	7.3
81.05804	1.4
81.07040	3.3
82.06555	1.2
83.04962	1.6
85.02892	4.5
87.04464	1.3
89.03879	1.3
91.05471	7.3
92.04967	1.3
93.05767	2.7
93.07023	9.2
94.06550	12.7
95.04948	4.2
95.07323	4.5
95.08567	2.2
96.08100	9.9
97.02903	2.0
97.06535	1.9
98.20639	2.0
100.62003	1.1
103.05460	2.3
105.07008	2.5
106.06521	5.1
107.04903	1.9
107.07314	4.3
107.08547	1.4
108.04453	2.8
108.08099	36.7
109.02835	2.0
110.09655	18.0
116.04924	1.7
117.05770	1.0
118.06535	2.8
119.04943	1.4
120.04429	4.9
120.08082	21.3
121.06480	1.2
122.06001	24.2
122.09634	11.7
124.07569	6.1
127.03921	1.7
130.06483	1.5
131.07352	1.1
132.08067	3.8
133.10114	1.7
134.05997	3.9
135.11633	1.0
136.07547	49.2
137.05966	2.2
138.05542	2.7
138.09113	31.3
144.04428	2.8
144.08037	2.2
146.05978	10.7
146.09567	1.6
147.04395	3.2
147.07979	1.1
148.07549	24.3
148.08745	1.2
149.08005	1.3
150.05486	1.9
150.09131	13.6
151.03978	1.3
152.07039	19.0
156.08005	1.6
160.03946	2.7
160.07545	5.9
162.05464	4.6
162.09114	3.8
163.03889	4.3
164.07047	8.5
166.08600	27.3
167.07054	3.8
172.03915	13.5
172.07611	2.4
174.05464	4.8
174.09129	2.4
176.07085	3.7
177.05394	1.5
178.08562	1.4
180.06448	1.1
180.07968	1.2
180.10106	2.3
181.04988	1.7
184.09840	1.3
186.05452	1.4
190.04965	10.6
190.08527	1.6
192.06493	1.5
194.08141	1.8
196.09901	1.7
197.10744	3.6
198.09081	1.6
198.11511	4.5
199.12329	2.5
200.07076	1.7
202.08531	2.2
204.06520	13.6
208.09668	3.2
209.10753	4.2
209.36095	1.2
210.09288	1.3
210.11505	4.2
211.08740	1.9
211.12289	15.7
212.09247	2.5
212.13037	3.6
213.10213	4.6
213.13789	2.5
215.11771	1.3
220.09842	1.5
221.10684	3.7
221.53104	1.0
222.11388	2.1
223.08672	1.8
223.12256	8.7
224.09286	2.3
224.12994	3.8
225.10179	18.1
225.13618	5.3
226.10872	9.6
227.11746	15.3
229.13348	1.9
232.09627	1.7
233.10605	2.9
234.11339	1.8
235.08656	4.0
235.12294	4.5
236.09448	3.5
236.13031	2.5
237.10184	18.4
237.13943	3.0
238.10902	13.9
239.11743	34.6
240.12453	9.2
241.09663	3.2
241.13293	5.4
243.11313	3.0
246.11259	1.8
248.09425	3.3
249.10136	15.9
250.10854	10.3
251.08145	2.7
251.11751	48.7
252.08833	2.7
252.12529	15.8
253.09666	7.7
253.13318	15.6
254.13940	2.3
255.11264	11.4
255.14862	1.7
256.11774	1.3
257.12918	2.1
261.10211	2.9
262.10983	5.0
263.08771	2.3
263.11737	35.1
264.08954	4.1
264.12537	8.5
265.09683	14.2
265.13315	15.9
266.10547	13.1
266.13904	9.8
267.11237	38.9
267.14349	2.3
268.11896	4.4
269.10126	1.2
269.12778	6.6
271.10724	2.1
271.14297	2.2
273.12326	2.5
275.11688	2.9
276.12561	2.8
277.09698	10.5
277.13287	6.2
278.10522	10.2
278.13528	1.9
279.11234	57.8
280.11957	13.7
281.09586	1.8
281.12787	22.2
282.13586	1.6
283.10712	7.2
283.14163	2.1
284.11353	3.3
285.09335	1.5
285.12320	26.7
287.13925	2.5
289.09714	1.9
291.11191	20.6
292.11920	7.8
293.09222	2.7
293.12750	21.2
294.09854	1.8
295.10730	9.6
295.14352	3.2
296.11606	3.6
297.12277	34.4
298.12994	3.9
299.13837	12.7
299.16760	1.3
301.15436	1.5
303.11118	1.7
304.08554	1.2
305.09268	2.5
305.12860	3.1
307.10712	7.9
308.11481	1.5
309.12292	10.5
310.12894	6.2
311.10339	3.7
311.13815	44.7
312.10944	1.2
312.14560	3.3
313.11908	1.7
313.15411	4.2
315.13968	1.3
316.14536	1.4
317.12515	1.5
318.09875	1.8
319.10736	14.7
321.12314	15.2
322.12961	4.9
323.10199	9.4
323.13849	4.2
325.11798	9.6
325.15436	1.9
326.12115	1.9
327.13333	10.2
328.14297	3.1
329.15323	2.2
330.15909	3.9
331.16608	1.3
332.17578	2.3
333.12134	1.5
335.14056	1.2
336.11130	1.6
337.11752	9.5
338.12427	1.7
339.13364	12.2
340.14093	3.4
341.14999	3.5
342.15997	3.2
343.16876	2.3
344.13916	1.7
344.17557	4.3
345.18637	1.5
347.13785	1.2
351.13385	4.5
353.15045	5.3
354.15799	1.7
355.12866	5.4
355.16702	1.8
356.13855	3.4
356.17648	2.1
357.14478	5.1
358.15311	3.2
358.19263	2.2
359.15970	1.8
363.13348	3.3
365.15082	3.0
366.16028	1.4
367.12601	2.3
367.16751	1.7
368.13641	1.7
369.14343	8.0
370.15311	5.4
371.15909	3.9
372.16977	4.3
374.18634	2.2
379.12628	5.1
381.14227	5.7
382.15100	2.2
383.16354	5.2
384.17099	2.5
386.14404	2.8
386.18582	3.6
387.15485	1.6
388.16330	2.5
388.20786	1.6
389.15094	1.9
390.18030	2.3
393.14438	4.8
394.15088	1.9
395.16010	3.5
396.16925	1.8
397.13782	1.9
399.15463	4.9
400.16364	9.6
401.16904	2.1
402.17944	4.1
403.18716	2.1
404.19434	3.3
405.14362	2.6
407.15942	3.3
409.13757	2.0
411.15451	14.9
412.16388	6.4
413.17032	3.2
414.18033	4.4
416.20172	2.5
417.14703	1.7
418.21350	4.2
423.15530	6.0
424.16547	2.4
425.17191	2.0
427.14807	3.7
428.20096	1.9
429.16437	17.4
430.17395	9.6
431.18127	2.8
432.19284	5.2
435.15524	5.5
439.14838	5.4
441.16501	13.8
442.17386	4.1
444.19034	2.8
446.20801	7.9
448.18280	1.7
450.20221	3.7
451.14734	2.0
453.16376	10.2
455.18463	2.1
459.17490	6.1
460.18488	1.9
462.19687	2.0
463.14890	5.6
465.16287	2.6
467.14536	4.7
469.16226	5.6
471.17542	17.6
472.18494	6.3
473.19550	1.7
474.20248	2.8
481.16025	19.8
483.17130	1.6
490.19415	1.7
492.21216	1.9
499.17093	1.9
501.18442	2.2
502.19659	1.6
516.21527	1.7
518.23029	1.8
530.23193	2.2
532.20612	2.9
534.22150	2.1
546.22211	2.1
556.20514	3.6
558.22278	3.3
562.21649	4.5
566.24841	4.9
568.20715	2.9
574.21783	8.4
575.22357	1.4
576.23022	2.4
578.24646	5.8
580.22900	5.1
581.23761	1.2
586.21582	4.0
588.23126	3.3
590.24670	4.5
592.22589	9.5
593.23529	53.7
594.24329	45.1
594.32990	1.0
595.25171	3.8
598.21515	2.8
599.22833	1.2
604.23010	6.7
606.24347	49.6
607.24731	2.7
616.22693	4.9
618.24414	13.5
620.22333	29.8
621.22931	18.2
622.23712	14.9
634.23846	100.0
635.24567	17.2
636.25409	10.2
652.24738	7.8
655.27161	2.1
666.26440	63.1
667.27222	14.9
668.27948	2.2
675.27563	3.0
693.28552	3.0
703.27344	1.9
711.29919	3.8
713.30908	1.3
715.29816	2.1
721.28412	7.7
729.30780	4.8
739.29639	20.6
740.29608	1.6
757.30615	84.4
758.31531	5.6
789.33417	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	789.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	3.0
69.03407	3.9
69.36748	14.2
69.37155	2.7
79.05479	5.4
81.03419	5.1
81.07048	2.0
85.02902	2.0
91.05465	6.0
93.05759	3.4
93.07046	5.5
94.06561	9.7
95.04949	2.9
95.07323	4.1
95.08604	2.8
96.08124	6.8
97.02879	1.7
102.35613	1.4
105.07055	1.5
106.06545	4.8
107.07320	3.9
107.08586	1.8
108.04486	3.0
108.08105	31.2
109.02895	1.9
110.09654	17.7
116.04952	1.9
118.06520	3.3
120.04431	2.4
120.08087	18.0
122.05999	22.5
122.09628	9.8
124.07573	6.3
127.03870	2.0
132.08070	3.4
134.05978	4.8
136.07556	38.4
136.08594	2.1
138.05472	2.9
138.09126	22.1
146.05952	7.7
147.04419	2.1
148.07556	21.9
150.09097	11.1
152.07050	13.4
160.03969	1.9
160.07561	4.4
162.05527	2.2
162.09111	2.2
163.03922	2.7
164.07065	5.8
166.08611	23.7
167.07109	3.2
172.03894	11.3
174.05467	3.9
174.09100	1.7
176.07092	3.2
183.09109	1.6
190.04967	8.8
195.09172	2.0
195.77011	1.6
197.10757	3.6
198.11513	3.2
199.12344	2.8
204.06560	12.1
206.08142	2.6
208.09818	3.5
209.10648	2.3
210.11441	2.6
211.08708	1.5
211.12238	11.8
212.12904	2.5
213.10262	2.8
214.08702	1.4
221.10841	2.9
223.08725	2.4
223.12173	7.5
225.10194	12.6
225.13832	4.7
226.08922	2.0
226.10922	8.7
227.11763	12.9
229.13379	2.3
235.08723	2.5
235.12396	2.5
236.09439	3.2
237.10208	17.6
237.13863	2.7
238.10930	10.1
239.11781	30.6
240.12494	8.7
241.13281	3.9
243.11559	1.7
245.12746	2.1
248.09311	2.1
249.10185	13.2
250.10912	7.9
251.08083	3.1
251.11803	36.4
252.08769	1.7
252.12550	14.4
253.09691	6.3
253.13332	13.7
254.10367	2.0
254.14114	3.3
255.11224	8.5
261.10495	2.3
262.11014	4.1
263.11771	29.5
264.08823	3.7
264.12393	6.8
265.09787	13.1
265.13290	16.7
266.10373	9.5
266.14133	7.1
267.11237	31.2
267.14349	2.1
268.11981	2.3
269.12866	5.8
271.10428	1.6
271.14493	3.4
273.12338	3.5
275.11819	2.0
277.09726	7.4
277.13339	5.7
278.10403	8.6
279.11246	47.6
280.12048	9.5
281.12781	19.7
282.13354	2.4
283.10840	3.2
284.11490	2.3
285.12326	22.9
287.14059	2.0
291.11273	18.8
292.11795	4.1
293.09482	2.7
293.12762	17.7
294.10162	1.7
294.13419	2.2
295.10733	4.9
295.14105	2.9
296.11664	3.1
297.12314	27.6
298.13052	3.0
299.13995	12.5
304.11728	1.6
305.09262	1.9
307.10742	8.6
309.12228	9.8
310.12872	4.9
311.10452	1.6
311.13818	35.7
312.14371	3.3
313.11890	1.7
313.15466	3.2
315.13821	1.9
319.10764	12.2
321.12299	12.7
322.12997	4.0
323.10135	6.0
323.13913	3.8
325.11945	7.3
326.12811	1.6
327.13275	7.6
328.14325	2.5
330.15961	3.0
337.11798	8.4
339.13333	11.8
340.14175	3.0
341.14908	2.3
344.14023	1.8
344.17697	1.8
351.13498	3.6
353.15021	3.3
355.12946	3.7
356.13867	3.3
357.14355	5.5
357.18369	1.9
358.15414	3.6
363.13318	3.6
364.14230	1.7
365.14932	3.0
367.12714	1.7
369.14435	5.0
370.15280	3.9
371.16040	3.0
372.17133	4.1
374.18707	2.2
379.12836	4.2
381.14468	3.9
382.15219	2.0
383.16162	5.2
384.17029	2.7
385.17813	2.0
386.18585	4.0
387.15460	1.9
388.16083	2.5
393.14600	3.0
395.16138	2.1
399.15549	4.1
400.16284	8.5
401.17316	4.0
402.18463	2.4
404.19781	3.6
405.14395	1.7
409.13730	2.1
411.15414	14.5
412.16199	5.0
413.17020	2.7
414.17935	5.0
416.19598	3.4
417.14786	1.8
418.21402	5.2
423.15298	3.9
424.16260	2.7
425.17343	2.0
427.14868	1.8
428.19937	2.4
429.16464	10.2
430.17697	6.9
432.19354	4.0
435.15479	6.0
439.15002	6.8
441.16528	10.8
442.17300	2.9
443.18298	2.2
444.19086	2.3
445.14539	2.4
446.20761	6.3
450.20142	2.6
451.14993	2.4
453.16660	9.1
454.17258	1.7
459.17700	6.5
460.18576	1.9
463.14868	4.7
467.14301	3.1
469.16174	4.7
471.17618	17.2
472.18591	4.9
481.15976	19.4
490.19861	1.6
499.16962	2.1
516.20911	1.9
530.22540	3.1
546.22516	2.4
548.23859	2.2
556.20386	3.9
558.21899	2.1
562.21594	2.3
566.24786	5.2
574.21619	6.0
578.24493	4.3
580.22668	5.6
586.21893	3.4
588.22815	3.4
590.24982	4.0
592.23151	7.8
593.23651	45.1
594.24353	41.6
595.24768	4.2
598.21991	2.2
604.22510	5.8
606.24414	45.0
607.24634	5.2
616.22461	5.9
618.24554	11.3
619.25128	2.3
620.22314	24.6
621.23206	16.5
622.23993	13.8
634.23895	100.0
635.24640	18.6
636.25470	7.6
637.26556	1.9
648.24585	1.9
652.24780	6.3
655.26990	2.5
666.26495	56.0
667.27045	14.4
668.27393	2.4
675.28015	2.8
693.29541	2.3
711.30078	3.6
721.28381	7.1
729.30743	5.1
739.29529	19.5
757.30627	82.1
758.30676	5.1
789.32581	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	790.457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	15.8
55.05501	40.3
56.49287	1.6
57.03428	33.3
57.07064	2.9
59.04979	5.0
61.02908	5.7
65.03924	4.5
67.05492	100.0
67.14934	1.5
69.03418	17.5
69.07054	51.2
69.95712	3.7
69.96132	7.4
71.04980	24.1
73.02896	6.4
73.06531	1.7
79.05482	94.1
81.03403	72.3
81.07042	100.0
83.01349	4.6
83.04967	31.8
83.08607	38.8
84.08126	1.7
85.02883	27.5
85.06515	7.9
86.09655	2.4
87.58538	1.5
91.05463	82.0
93.07030	91.3
95.04954	38.3
95.08003	2.9
95.08588	47.2
97.02875	15.3
97.06516	70.4
97.10151	12.4
98.21346	2.1
99.04430	5.2
99.08076	9.3
103.05445	2.9
105.04478	2.0
105.07009	60.0
106.07345	2.2
107.04930	24.8
107.08574	44.2
109.02834	3.2
109.06496	24.7
109.10130	33.6
111.04418	6.5
111.08062	17.4
113.05967	2.9
115.05436	5.3
115.07530	15.6
117.07001	27.8
119.08552	42.3
121.06503	8.7
121.10120	29.7
123.04362	2.4
123.08041	12.7
123.11697	7.6
124.99983	2.2
125.05962	2.4
125.09587	8.4
127.03883	5.9
127.07513	3.3
128.06161	4.2
129.05452	4.0
129.06973	23.2
130.07787	2.1
131.08540	37.3
133.06480	5.6
133.10100	36.3
135.08037	15.4
135.11650	19.5
135.51218	1.7
137.09589	6.4
139.07458	1.9
141.06937	3.3
142.07738	3.1
143.08545	8.6
145.04904	1.9
145.06464	4.1
145.10098	32.7
147.08032	11.0
147.11655	19.4
149.09608	13.8
149.13271	12.0
151.07494	2.4
151.11191	5.1
153.12689	3.2
155.08524	4.9
157.10117	21.8
159.08011	3.9
159.11679	13.0
161.09586	5.6
161.13228	4.5
163.03845	4.4
163.11153	23.5
165.09068	2.1
165.12727	4.2
169.10149	3.9
169.12236	2.5
171.08026	2.0
171.11633	4.4
173.04416	4.7
173.09586	5.9
173.11682	5.7
173.13171	5.1
175.11136	15.5
177.12698	6.2
179.14368	1.6
181.10033	1.8
181.12210	5.0
183.11589	3.6
184.07269	9.5
185.13213	2.6
187.11125	2.9
189.11131	4.8
189.12692	3.5
191.10632	3.4
193.12202	38.2
195.13757	6.9
199.14874	2.5
201.07520	2.1
201.12663	3.3
209.11681	5.2
211.13245	48.1
217.15868	9.7
219.13702	2.2
227.12729	14.8
229.14296	15.7
233.15416	3.3
239.17973	1.7
245.18916	5.1
253.14249	3.6
257.18985	6.5
261.77701	1.6
265.14240	1.9
267.15842	15.4
269.17444	29.8
273.18457	31.4
274.18567	1.8
275.20035	26.2
283.15359	73.3
285.16934	40.6
291.19467	17.7
293.20999	3.8
307.18765	2.8
338.63715	1.8
341.19644	2.0
347.22177	9.5
349.23706	19.3
365.23236	8.9
367.24637	10.3
437.25281	28.5
443.28009	2.1
453.24500	2.8
459.27420	3.8
461.28958	9.5
465.28604	4.6
477.28409	73.4
478.28470	4.5
479.29904	19.3
483.31110	2.0
507.29388	2.2
517.31042	2.8
539.33350	4.9
557.34656	45.4
558.34558	3.9
575.35608	31.6
576.35645	2.0
593.36237	3.7
621.32159	2.1
731.31500	1.8
737.40094	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	17.0
55.05503	37.3
57.03431	24.7
57.07059	3.1
59.04995	2.3
61.02918	5.1
64.88212	1.1
65.03931	5.2
67.05495	100.0
69.03423	13.8
69.07060	49.3
71.01335	6.0
71.04985	9.2
71.70251	1.6
73.02908	4.9
77.03898	2.1
79.05484	79.8
80.05811	2.3
81.03407	58.5
81.07043	84.5
81.56578	1.1
82.04179	1.3
82.07337	1.5
83.01313	2.0
83.04505	1.6
83.04969	23.9
83.08608	30.4
85.02895	24.1
85.06519	5.0
86.09708	6.8
87.04450	2.0
89.43317	1.0
91.05468	88.0
93.07030	68.6
93.32494	1.0
94.04186	1.2
94.79093	1.1
95.04954	33.9
95.08590	45.8
97.02887	9.9
97.06518	22.1
97.10159	16.4
98.98413	1.2
99.04440	2.7
99.08078	2.5
101.06005	1.4
103.05435	1.8
105.04502	1.2
105.07012	68.3
105.91939	1.2
107.04939	20.0
107.08578	38.5
108.08938	1.0
109.02864	3.2
109.06497	10.4
109.10140	31.4
111.04387	5.3
111.08066	16.1
113.06013	1.8
113.09608	2.7
115.05435	4.3
115.07572	1.4
116.04690	2.4
117.06996	18.8
119.04928	2.0
119.05982	1.0
119.08562	49.6
121.06451	5.8
121.09259	1.3
121.10130	24.4
123.04450	1.3
123.08043	8.6
123.11696	4.4
124.99998	3.9
125.05995	1.3
125.09614	13.0
127.03893	3.1
127.07607	1.1
127.11157	1.8
128.06189	1.6
129.05499	10.7
129.06985	17.6
130.07744	2.7
131.04898	1.8
131.07648	2.3
131.08559	31.2
131.49385	1.1
133.06477	6.8
133.10103	40.4
134.10435	2.0
135.04471	1.1
135.08003	6.8
135.11668	16.0
137.09593	13.8
139.07460	1.2
139.11127	1.3
141.06963	2.9
142.07767	3.4
143.08553	7.0
145.06432	3.0
145.10109	21.3
147.08035	4.6
147.11662	30.2
148.12079	1.2
149.09602	23.5
149.13237	7.4
151.11163	4.8
153.09137	2.0
153.12737	3.2
155.08543	3.4
155.10600	2.0
157.08737	1.9
157.10114	15.8
159.08119	1.5
159.11693	12.7
161.09557	2.8
161.13243	11.3
163.11143	14.8
163.14798	1.3
165.12733	3.1
169.10120	2.4
171.10178	2.6
171.11671	5.9
173.09590	3.4
173.11716	6.0
173.13271	5.5
175.11153	14.6
175.14833	1.8
177.12740	3.6
179.10568	1.2
179.14276	5.0
181.12251	1.7
183.11685	4.4
184.07335	23.8
185.13246	5.0
187.11061	1.7
187.14769	1.9
189.11218	6.7
189.12682	1.6
191.10611	2.3
193.12189	33.8
195.13795	2.4
197.13228	2.4
199.11209	1.5
199.13277	3.1
201.12660	2.1
205.12253	1.8
207.13716	1.5
209.11749	3.4
211.13240	33.4
211.15125	2.2
223.13303	2.9
225.11205	3.4
227.12720	12.4
229.14288	7.2
229.19379	1.6
231.21126	2.4
239.17903	2.0
241.19398	7.2
247.20589	2.3
253.14337	4.0
253.18018	2.2
255.15886	3.0
257.19000	6.4
259.20517	18.0
263.56516	1.3
265.14178	2.0
267.15848	19.7
269.17508	6.8
273.18454	4.1
275.20020	35.7
283.15430	7.4
285.16904	24.2
291.19513	6.2
293.20996	2.4
299.14847	21.6
301.16412	14.8
313.21838	1.3
331.22635	1.3
333.24295	12.0
347.21924	1.3
349.19556	2.2
349.23734	35.6
350.24194	1.5
365.23053	3.1
367.24509	1.2
381.22580	2.1
397.22153	1.3
421.25797	1.8
435.97662	1.2
437.25119	1.4
439.27017	8.2
447.28210	1.8
449.29364	1.2
461.28671	1.3
463.30801	2.0
477.28238	5.8
479.29541	1.6
481.27896	2.4
483.30896	1.5
495.29758	5.1
539.33667	2.5
541.35083	7.6
557.34723	11.4
559.36218	18.5
562.19788	1.3
575.35767	14.3
576.35822	1.4
577.37097	3.0
745.54016	1.2
791.40411	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	790.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	5.2
55.05505	25.1
56.82175	1.6
57.03423	13.2
57.07067	2.5
67.05494	42.9
67.26292	1.6
69.03418	3.3
69.07050	13.0
71.04973	6.0
77.03916	1.7
79.05483	46.4
81.03404	42.7
81.07040	45.7
83.04967	7.6
83.08603	13.7
85.02899	2.1
85.06501	3.3
86.82249	1.8
91.04926	2.7
91.05467	46.2
93.07029	45.6
95.04945	21.2
95.08593	27.6
97.02859	4.1
97.06494	5.6
97.10183	9.0
98.21470	3.0
99.08042	2.2
105.07011	45.0
107.04934	6.6
107.08580	24.6
107.82595	1.7
109.06497	7.0
109.10134	15.3
111.04382	2.4
111.08057	5.2
115.05428	3.8
117.07013	14.1
119.08568	39.6
121.06470	5.0
121.10124	22.8
123.08057	4.8
123.11673	3.0
125.09621	8.9
128.06241	2.6
129.06976	12.5
131.08553	27.4
133.10109	24.4
135.08006	5.6
135.11719	8.0
137.09586	3.6
141.06995	2.6
142.07759	2.4
143.08537	10.9
144.48985	1.6
145.06470	2.2
145.10110	16.4
147.08034	4.4
147.11661	19.1
148.52151	1.6
149.09618	7.0
149.13223	4.3
154.07770	1.6
155.08490	5.8
157.10100	17.1
159.11641	15.8
161.09599	2.3
161.13274	8.8
163.11200	3.8
163.14803	2.3
165.07077	2.2
167.08566	2.2
169.10095	6.5
171.11646	12.3
173.13286	10.2
175.11157	6.9
175.14740	2.8
181.10104	2.2
183.11688	7.7
184.07294	3.5
185.13234	7.7
187.14777	4.0
189.11171	5.3
193.12201	7.3
195.11697	2.9
197.13264	5.6
199.14777	5.4
201.16360	1.9
203.14214	1.6
209.13345	2.9
211.14752	4.0
223.13094	2.1
223.14917	2.3
225.16286	1.8
227.12741	9.1
241.19496	6.2
259.20532	14.5
265.19614	1.8
267.15808	21.0
283.20541	2.8
295.20551	1.8
299.20175	2.3
299.23621	7.0
301.21841	1.9
315.23001	2.4
333.24268	11.9
391.48407	1.9
407.23532	2.0
415.29828	3.8
421.25690	9.5
431.27740	1.9
433.31134	11.8
435.27252	6.5
437.28247	1.9
451.31995	15.4
461.28156	2.1
469.33023	5.1
507.34473	5.8
517.34882	4.1
525.35663	54.0
526.36047	2.3
543.36749	100.0
544.36884	3.1
557.37653	8.7
575.39343	14.7
647.96820	1.8
705.41425	2.0
790.39581	4.7
791.39337	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	790.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.4
56.05024	0.8
58.06593	0.5
60.08157	6.6
67.05492	0.5
67.30548	0.3
68.17156	0.4
69.07043	0.5
71.07362	3.7
81.07043	0.4
81.45258	0.3
86.09695	28.4
98.21434	0.8
98.98465	3.5
104.10717	2.9
124.99987	19.9
169.99109	0.4
173.21312	0.3
184.07321	100.0
185.07666	1.0
227.20042	0.4
229.35977	0.3
265.66510	0.4
324.13678	0.3
352.35739	0.3
397.90689	0.3
690.46564	1.2
772.54242	0.9
790.55621	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	8.3
55.05502	34.1
57.03424	20.2
58.85522	1.6
59.04994	3.6
61.02909	3.1
65.03922	3.7
65.52207	1.9
66.83250	1.6
67.05493	100.0
69.03403	6.9
69.07053	23.8
70.13326	8.4
71.04977	14.0
73.02876	1.8
73.06554	1.8
77.55346	1.7
79.05477	48.0
81.03403	74.9
81.07041	74.7
83.04970	17.5
83.08602	39.8
85.02892	34.8
85.06522	6.4
86.09661	2.1
91.05464	61.6
93.07027	45.4
95.04956	30.7
95.08582	36.0
97.02866	7.8
97.06501	13.8
97.10159	11.2
98.21375	2.2
99.04467	3.2
99.08012	2.2
105.07014	45.8
105.96066	1.8
106.61272	1.6
107.04955	13.3
107.08572	35.5
109.02856	2.2
109.06499	11.4
109.09398	3.5
109.10131	52.5
111.04427	3.4
111.08057	16.1
113.05933	2.6
115.05441	2.4
117.06997	11.2
119.08566	38.0
121.06474	5.9
121.10122	21.6
123.08029	7.2
123.11666	4.2
125.05955	2.1
125.09605	7.8
127.03912	3.7
129.06985	13.9
130.06503	10.9
131.04877	3.8
131.08551	25.6
133.06456	3.8
133.10110	23.9
135.04391	6.0
135.08040	5.3
135.11670	5.6
137.06010	2.2
137.09584	6.9
142.07741	2.2
143.08531	4.0
145.02789	4.2
145.10104	13.2
146.10446	2.0
147.08035	3.9
147.11664	20.1
149.09607	14.4
149.13210	6.2
151.11195	1.9
155.10541	2.4
157.10115	18.7
159.11676	6.4
161.09560	1.8
161.13220	2.6
163.03885	34.7
163.11148	3.8
165.12727	5.0
169.10129	3.3
171.11621	2.3
173.09503	1.9
173.11691	10.0
173.13173	3.9
174.05469	5.6
175.06212	5.8
175.11179	15.8
176.07062	5.1
177.12743	3.2
184.07326	3.3
188.07133	2.6
189.11237	4.4
193.12204	43.6
195.13811	2.2
206.08084	58.4
211.13248	59.4
227.12762	8.2
229.14316	31.7
239.17905	2.6
239.46539	2.0
257.18912	5.9
267.15860	25.6
269.17459	16.1
275.19989	29.6
285.16904	55.0
285.20090	2.8
290.10632	1.7
293.21176	3.7
305.12704	2.1
323.13858	54.8
325.09088	4.7
332.17825	1.9
349.23734	20.0
365.14536	2.1
367.24719	12.0
403.24219	1.9
421.26047	12.9
439.26855	83.6
440.71091	1.9
443.27930	2.7
449.29990	2.6
461.28870	20.9
479.29974	54.8
541.35193	17.3
559.36230	39.9
577.37231	15.6
583.30817	3.4
623.33923	4.7
647.22253	4.7
689.31274	2.1
735.84595	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	792.5603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
55.05503	14.6
57.03162	0.6
57.03430	9.6
57.07047	2.1
61.02902	2.0
61.10669	0.5
65.03909	1.9
67.05496	57.5
68.05821	0.6
69.03403	1.0
69.07059	14.0
69.36417	4.8
69.36826	0.7
71.04964	1.9
71.08613	0.7
74.09693	0.7
79.05483	36.2
80.05812	0.5
81.03423	0.6
81.07045	59.4
82.07343	0.6
83.04955	1.7
83.08609	7.6
85.02881	1.8
85.06522	1.4
91.03933	1.3
91.05466	22.8
91.06037	1.1
93.07031	40.9
94.07349	0.7
95.04958	4.0
95.08593	47.6
96.08927	0.9
97.02881	1.1
97.06516	2.7
97.10136	3.1
99.08055	1.0
103.05465	0.6
105.04476	0.4
105.07015	17.3
107.08580	22.8
108.43015	0.4
109.06472	1.4
109.09399	1.1
109.10141	19.0
111.08037	1.7
111.11674	0.9
113.09572	0.7
117.06997	7.2
119.08566	13.4
121.10125	19.5
122.10453	0.7
123.08063	0.7
123.11685	7.9
125.09572	1.2
129.06990	1.6
131.08543	12.5
133.09158	0.9
133.10120	12.3
134.27170	0.5
135.08122	0.7
135.11682	15.1
137.09593	0.9
137.13251	2.1
139.11130	0.9
141.07010	0.8
143.08527	1.5
145.10100	9.9
147.10562	0.8
147.11684	10.2
149.09576	0.9
149.13232	8.5
151.14809	1.0
153.12695	0.7
155.08575	0.9
157.10112	1.6
159.11687	7.7
161.09482	0.5
161.13235	7.6
163.11205	1.0
163.14819	4.6
163.65308	0.5
169.10114	0.6
171.11700	2.7
173.13237	7.7
175.14786	4.1
177.16365	1.2
185.13214	2.1
187.14803	3.5
189.16391	1.5
199.14841	1.9
201.16357	1.7
213.16447	0.7
215.17839	1.4
217.19492	0.6
231.21114	0.6
233.22659	1.3
239.17923	0.6
241.19630	3.4
243.21037	4.7
245.22649	0.9
257.19122	0.5
259.20526	9.2
261.22122	18.7
262.22516	0.8
263.23648	1.9
273.22128	0.7
277.21561	0.6
279.23154	0.7
298.60098	0.5
301.25269	0.8
313.25198	0.6
315.23236	0.7
315.88147	0.6
317.24722	3.5
333.24200	4.1
334.07416	0.5
335.25754	100.0
336.26172	4.7
337.27414	8.5
355.29971	0.6
503.36697	0.8
521.43433	1.9
539.44257	0.6
543.40582	0.9
590.01752	0.5
595.47101	13.3
596.47052	1.5
613.48041	7.4
614.48267	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
57.03428	1.4
57.67139	0.2
63.02369	0.5
67.05475	0.8
69.03420	2.5
69.07026	0.5
71.01333	0.5
71.04608	0.6
71.04981	7.2
71.70223	0.5
73.02917	0.3
79.05477	0.9
81.03409	1.6
81.07043	0.7
83.04963	0.6
85.02890	8.3
89.03899	3.5
91.05463	1.1
93.07011	0.8
95.04925	0.7
95.08577	0.7
97.02883	5.6
98.10581	0.2
99.04462	0.6
101.02325	0.3
103.05446	0.4
105.07004	0.7
107.04932	1.4
107.08601	0.5
109.02863	0.6
109.06490	0.4
109.10103	0.4
111.04427	0.5
111.79991	0.3
115.05405	0.6
117.03361	3.8
117.05746	0.3
117.10399	0.3
118.06490	0.4
119.04895	0.4
121.10107	0.3
127.03918	0.6
129.05446	0.9
130.06506	30.7
131.04948	0.4
131.06026	0.9
131.06885	0.4
132.04437	0.4
133.10081	0.5
134.06012	0.3
135.04391	10.0
135.11655	0.3
137.05975	0.5
142.06496	0.7
144.04417	0.9
145.02829	8.6
146.06017	1.6
147.04359	0.3
148.07536	0.7
149.05997	0.3
152.07024	0.6
155.06027	1.0
156.06734	0.4
158.05969	0.5
160.03935	0.8
160.07497	0.4
163.03879	65.4
164.04230	0.6
164.06920	0.5
166.08643	0.4
174.05460	3.3
175.06238	4.0
176.07042	7.1
177.05452	0.3
181.04942	1.7
182.08159	0.8
183.49699	0.3
184.07388	0.3
185.13266	0.4
186.05453	0.3
188.07057	1.5
192.58501	0.3
194.08151	0.7
206.08098	21.8
207.08882	0.8
218.09642	0.4
219.09161	0.8
220.09811	0.3
221.10724	0.4
225.36946	0.3
232.09930	0.5
233.10757	1.1
235.08661	0.8
245.10617	1.9
246.11491	0.5
247.08597	0.6
248.09451	1.2
249.10216	0.9
260.09302	0.3
261.10114	2.0
262.11032	1.3
263.08115	0.9
263.11746	1.9
273.10202	2.4
274.10995	2.5
275.08163	2.0
275.11691	0.7
276.10074	0.4
276.12698	0.4
277.09665	1.2
277.12967	1.3
278.10306	4.1
279.11227	0.4
287.11859	0.5
289.09592	2.6
290.10464	7.8
291.11252	2.3
292.11932	1.2
294.11218	3.5
295.14383	1.1
304.12024	0.4
305.12787	14.1
306.10913	0.4
307.07928	0.7
321.12280	0.8
322.13025	1.6
323.13846	100.0
324.14224	2.0
325.09122	9.7
329.12933	0.4
335.13788	0.5
365.14877	1.3
449.17136	0.5
469.19424	1.7
485.18872	1.5
500.38208	0.3
530.16559	2.5
566.08588	0.3
646.21075	0.4
647.22272	22.5
648.22321	0.9
793.27570	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.5
60.08186	0.3
61.02917	5.0
67.05496	8.2
67.05846	0.6
69.03416	3.7
69.07063	3.3
69.46079	0.7
69.46484	3.1
71.01333	0.4
71.04975	1.0
73.02908	3.4
79.05483	7.6
80.05778	0.4
81.03408	3.5
81.07047	8.3
83.04980	1.7
83.08598	1.9
85.02895	5.8
86.09702	1.2
87.04470	0.3
91.03936	2.8
91.05462	6.7
91.51468	0.3
92.05795	0.5
93.06494	0.2
93.07029	7.1
95.04970	2.8
95.08598	3.8
97.02879	4.7
97.06549	1.3
97.10163	1.4
99.04493	0.6
99.08060	0.3
101.02359	1.8
103.03897	0.5
105.07011	3.5
107.04948	0.7
107.08570	3.5
109.02886	1.6
109.06537	1.2
109.10156	2.2
115.03914	0.5
116.23311	0.4
117.07034	1.4
119.08578	3.4
121.06491	0.7
121.10143	1.3
123.08089	0.5
124.99991	0.7
125.09650	0.9
127.03905	1.5
129.05472	0.5
129.06999	1.7
131.08574	1.3
133.10091	1.9
135.11713	0.9
143.08563	0.9
145.10121	1.2
147.08009	0.4
147.11662	2.7
149.13309	0.6
157.10062	0.5
159.11732	0.7
161.13269	1.1
171.11662	1.8
173.13226	0.5
173.34529	0.4
184.07298	3.3
185.04266	1.0
189.12737	0.5
192.31770	0.4
193.12285	0.4
195.13969	0.4
207.13725	0.5
243.08434	3.5
247.13199	1.2
281.17450	0.8
293.99445	0.4
303.15723	0.4
307.07959	0.4
315.10428	0.6
316.53391	0.4
338.90924	0.4
351.21515	2.6
407.24161	0.6
413.17978	0.4
465.20874	10.3
569.29193	6.6
570.29462	0.6
612.06763	0.5
614.40198	0.5
721.10291	0.4
793.43323	100.0
794.43610	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	794.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	4.1
59.04994	0.7
61.02903	1.0
64.86997	0.6
65.03914	1.1
67.05495	1.8
69.03421	21.8
70.06563	0.9
71.04970	2.4
71.70413	0.7
73.02916	0.9
75.04462	2.7
79.05482	16.4
81.02942	1.2
81.03407	15.1
81.07043	4.8
83.04961	1.8
85.02889	16.3
85.06510	0.8
87.04446	6.2
91.04926	0.8
91.05467	13.0
91.72951	0.6
93.07030	77.2
94.07372	0.9
95.04951	5.4
95.08604	3.2
97.02879	17.7
97.06537	1.1
99.04427	3.7
103.05463	1.0
105.04462	1.2
105.07021	8.6
107.04902	0.9
107.08579	15.2
109.02859	7.9
109.06505	0.7
109.10175	1.0
111.04431	2.4
111.08041	2.0
115.03906	5.8
116.06243	1.1
117.07000	0.9
119.04938	1.1
119.08561	14.7
121.02858	1.0
121.06545	2.9
121.10123	100.0
122.10421	1.6
123.04429	0.8
123.08055	2.9
123.11697	1.3
125.05963	1.0
127.03889	7.4
129.05466	1.6
131.04901	1.5
131.08537	9.7
133.04967	5.0
133.06497	1.0
133.10143	1.3
135.08026	1.2
137.02307	1.0
137.05962	0.8
139.03894	0.7
139.11150	3.8
145.02835	0.8
145.04903	3.8
145.10118	1.3
147.04391	2.5
149.09598	45.1
150.07613	1.0
151.03912	1.3
157.10136	0.6
163.03879	7.7
163.07562	0.7
163.11183	0.9
165.09079	1.0
167.03366	6.0
167.06926	0.7
167.10649	24.8
168.11020	0.6
169.10013	0.7
177.05455	0.9
189.05484	2.2
191.10623	1.6
203.06908	0.7
207.06482	2.1
207.09828	0.7
229.08620	3.6
247.09622	1.9
247.13499	0.8
257.11621	3.5
263.12622	0.9
275.12732	2.3
283.15369	1.8
283.83109	0.7
285.11240	1.6
289.11383	0.7
293.13785	10.8
303.12238	1.5
307.85132	0.7
311.14841	41.3
312.15146	1.3
318.98334	0.7
321.13428	1.4
429.15387	3.0
447.16388	1.8
465.17462	1.8
469.13318	0.7
648.26904	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	6.3
59.04974	2.0
59.34986	0.9
65.03904	1.1
67.05499	4.3
69.03419	23.3
70.06565	1.3
71.04973	3.2
71.55269	1.9
73.02888	1.3
75.04459	3.5
77.03908	1.0
79.05474	23.5
81.03401	18.1
81.07030	8.2
83.01273	0.9
83.04962	1.3
85.02889	17.2
87.04459	6.4
91.05459	21.4
91.06033	1.2
93.07028	96.9
95.04952	9.4
95.08585	8.3
97.02247	1.0
97.02874	19.7
97.06505	1.3
99.04436	2.7
103.05444	1.7
105.07003	11.4
107.04896	1.0
107.08572	22.8
109.02857	10.0
109.06503	3.5
109.10137	7.1
111.04408	1.8
111.08062	2.6
115.03933	6.3
115.05450	1.0
116.06174	1.3
117.06953	2.4
119.04916	3.7
119.08559	11.7
121.06497	7.0
121.10121	100.0
122.10549	1.0
123.04431	2.4
123.08049	2.9
123.11667	1.7
125.06036	0.9
127.03888	8.5
129.06976	2.1
131.04878	1.1
131.08551	8.1
133.04965	5.8
133.06454	1.5
133.10075	1.8
135.08026	2.0
137.05952	20.6
137.09583	2.2
139.11168	3.9
143.08525	3.0
145.04942	3.6
145.06483	2.4
145.10088	2.1
147.04387	2.7
147.07968	2.1
149.05952	19.8
149.07040	1.7
149.09593	34.1
150.07588	1.1
151.07492	7.1
155.08583	1.2
157.06512	1.2
157.10083	1.0
159.08041	2.5
161.05920	4.5
163.03874	4.7
163.07515	4.4
163.11147	1.9
165.05441	7.1
167.07010	13.1
167.08380	1.6
167.10649	28.8
169.06464	1.3
171.08102	2.0
173.05956	2.8
173.09599	1.9
175.07497	2.4
177.05428	1.4
179.07007	1.9
183.08035	2.7
185.09508	1.4
187.07544	4.0
187.11259	1.0
189.09073	16.8
191.07030	3.3
191.10596	4.4
201.09125	4.2
203.07024	2.4
203.10701	1.6
205.08566	2.4
207.10121	8.1
207.11835	1.2
209.11760	1.7
211.07487	1.1
211.11084	1.3
215.10678	1.8
217.08525	1.8
219.10161	1.6
221.08046	1.9
223.09660	0.9
227.06978	1.5
227.10680	1.4
229.08626	8.4
229.12148	8.3
229.58995	0.8
231.10066	1.4
239.10716	1.0
239.14218	2.2
245.08058	4.8
245.11661	1.7
247.13165	1.2
257.08044	2.5
257.15338	7.9
263.09143	3.7
267.13733	3.2
275.13089	1.5
275.16330	14.2
281.13855	2.7
283.15433	2.5
285.14795	20.3
293.13776	11.5
299.14865	1.7
303.15851	47.9
309.14929	1.4
311.14832	48.5
327.15738	3.2
329.16248	1.2
331.15359	2.5
345.79675	1.0
346.13202	1.0
369.16949	2.4
389.15506	1.0
393.16779	4.5
395.35077	0.9
407.16974	2.3
411.17920	10.3
415.56387	1.1
429.19019	10.9
443.19138	1.3
447.20056	22.6
448.20572	1.2
455.18658	1.3
465.21140	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	795.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	2.4
59.04992	0.8
61.02916	4.5
67.05486	4.1
69.03419	3.0
69.07056	1.0
69.67772	3.1
71.01379	0.5
71.04991	0.9
72.98318	0.4
73.02907	3.8
79.05479	5.4
81.03403	3.9
81.07047	3.6
83.04975	0.4
83.08608	1.1
85.02893	4.7
85.06508	0.6
86.09712	0.6
87.04465	0.6
91.03927	1.9
91.05460	4.4
93.07034	4.8
95.04976	1.7
95.08587	2.2
96.23219	0.4
97.02882	4.5
97.06529	0.8
97.10213	0.5
99.04473	0.9
101.02390	1.2
103.03967	0.6
105.07018	3.7
107.04941	0.6
107.08582	2.9
109.02859	1.2
109.06498	0.7
109.10172	0.8
111.08070	0.7
117.07016	1.1
119.08557	3.5
121.10135	2.7
123.08049	0.5
125.00023	0.7
127.03921	1.4
127.07739	0.3
129.07022	0.7
131.08539	2.0
133.10120	2.6
135.11670	0.9
137.09599	0.4
145.10126	0.7
147.11679	1.9
149.09642	1.6
151.76404	0.4
157.10152	1.1
159.11722	0.8
171.11699	0.9
175.11235	0.6
184.07326	3.0
185.04260	1.0
191.85156	0.4
193.12222	1.1
197.15353	0.5
201.03751	0.5
223.13400	0.4
225.05707	0.5
225.14906	0.7
243.08374	3.4
259.20709	0.5
267.15891	1.0
283.15094	5.2
301.09052	1.5
313.09167	0.5
315.10596	0.6
317.20865	0.5
339.17865	0.7
381.18909	0.7
399.20303	0.5
469.20404	0.8
501.23083	12.7
529.22717	0.4
535.28735	7.4
573.24805	2.2
584.27124	0.5
587.26666	0.5
601.28882	0.5
633.39441	0.5
689.50000	0.4
709.31689	4.6
725.35980	0.5
783.43732	0.4
795.44922	100.0
796.45569	3.9
814.23041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.0
59.05008	0.2
61.02912	0.8
65.03938	0.4
67.05495	2.7
69.03429	0.8
70.28349	0.7
71.01334	0.3
71.04980	0.5
73.02905	0.2
79.05476	0.3
81.03410	0.5
81.07040	0.3
83.04968	46.7
83.08603	0.1
84.05307	0.3
85.02892	100.0
86.03224	0.5
86.09718	0.2
87.04449	1.2
89.03909	0.9
91.05473	0.7
93.07024	0.2
97.02884	0.4
99.04472	0.4
101.06001	0.4
105.07036	0.2
109.02856	1.7
111.04426	25.3
112.04748	0.3
117.03360	2.8
119.08578	0.2
121.06476	0.2
121.10089	0.2
125.00027	0.2
127.03893	5.5
127.04830	0.3
129.05458	13.0
130.05766	0.1
131.08578	0.2
134.03595	0.2
135.04427	0.3
137.06064	0.2
139.03851	0.2
145.02829	8.8
146.03160	0.2
147.04391	0.4
149.05980	1.2
151.07544	0.5
153.05498	0.5
159.08093	0.2
161.13168	0.2
163.03908	0.5
171.06497	79.1
172.06888	0.8
177.05447	22.4
178.05801	0.3
179.07028	0.3
182.82570	0.2
186.05505	0.4
187.07504	0.2
193.08574	0.2
195.06459	0.2
231.08604	4.4
241.08533	0.2
259.09702	0.8
277.10623	0.4
285.07477	0.2
340.11768	0.2
381.11765	4.3
407.13220	0.5
413.12491	0.2
611.19611	1.3
795.40698	0.3
796.41351	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.9
57.07063	3.7
59.04994	2.3
61.02929	0.7
65.03925	1.0
65.49510	0.4
67.05493	18.0
69.03418	13.8
69.07053	4.5
70.06592	1.0
71.04975	10.9
71.08623	0.5
71.70750	0.6
72.64733	0.4
73.02901	0.5
75.59830	0.4
79.05475	5.7
81.03403	8.7
81.07040	100.0
82.07371	1.5
83.04962	0.8
83.08606	2.7
85.02887	15.2
85.06519	6.7
87.04448	3.7
89.06015	3.1
91.05473	2.6
91.76360	0.5
93.07028	12.0
95.04957	6.8
95.08588	19.2
97.02876	9.4
97.06524	0.7
97.10147	12.2
99.04440	2.9
99.08084	1.7
105.07016	3.4
107.01259	0.5
107.08558	6.0
109.02857	10.9
109.06490	4.2
109.10123	3.8
111.04424	1.3
111.08061	3.6
113.06008	1.4
115.03914	4.3
119.04926	1.0
119.08557	0.5
121.10152	3.2
123.04457	0.6
123.08083	1.2
123.11681	90.2
124.12032	1.1
127.03889	12.8
133.04051	0.4
133.04893	2.3
133.10117	5.0
135.04381	0.9
135.11752	0.6
137.05965	5.9
139.11174	1.0
141.12688	3.2
145.04907	1.2
147.04367	1.0
147.67859	0.5
149.05969	0.5
149.09662	0.5
151.07523	0.6
151.11147	16.4
161.05992	0.9
162.41945	0.5
163.03865	3.5
165.05476	1.1
167.07057	0.7
169.12213	38.0
170.12567	0.6
173.13100	0.4
179.06943	0.9
187.13264	48.1
187.49925	0.4
188.13611	0.7
191.06944	0.6
203.06995	0.7
214.33243	0.4
221.08081	0.6
227.07095	0.6
229.14304	4.6
231.13847	0.5
245.08067	2.2
249.14842	2.1
263.09082	1.6
265.14355	0.8
271.15332	2.1
271.18005	0.5
277.14258	5.4
295.15353	25.9
296.15723	1.0
301.16379	0.9
313.16415	11.1
325.09113	0.8
331.17450	97.8
332.17746	2.4
445.20886	0.9
449.21716	0.9
467.22556	1.8
580.34204	0.7
599.17291	0.6
732.41205	0.6
733.42175	0.9
742.39471	0.6
765.51270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	11.7
57.07057	2.5
59.04984	4.1
65.03918	5.7
67.05495	100.0
68.43008	1.5
69.03403	4.1
69.07053	18.9
69.94434	4.0
69.94850	7.2
71.01361	1.6
71.04985	4.9
73.02870	2.2
73.06525	2.9
77.55748	1.8
79.05484	70.2
81.03413	13.5
81.07043	52.7
83.04971	17.8
83.08605	12.4
85.02890	6.2
85.06520	4.9
87.04420	2.4
91.05468	58.5
93.07027	55.8
95.04953	26.2
95.08595	26.9
97.02885	3.2
97.06506	8.1
97.10146	13.4
98.20768	2.7
105.07018	37.3
106.07322	1.7
107.04945	9.0
107.08573	21.1
109.06474	7.9
109.10133	41.9
111.04368	1.8
111.08067	4.2
115.05471	2.7
115.28615	1.6
117.07002	13.2
119.08556	30.0
121.06480	5.2
121.10139	7.7
123.08057	9.2
125.09583	4.3
128.06227	3.6
129.05508	1.7
129.06969	15.6
131.08543	9.2
133.10101	10.7
135.08038	3.1
135.11658	4.5
137.09650	2.4
143.07272	1.6
143.08531	6.8
145.10101	10.1
147.08052	2.2
147.11681	29.3
149.09505	1.9
153.12718	2.7
155.10677	2.1
157.10153	2.0
159.11577	2.3
161.09625	3.6
161.13226	7.8
163.11133	6.5
169.10228	2.1
171.11659	18.9
173.09497	2.1
173.11723	7.2
179.11975	1.8
184.07333	5.6
189.11203	1.8
189.12726	7.3
191.10655	2.5
199.13232	3.9
207.13809	17.8
209.11617	4.1
209.37228	1.9
225.14844	2.1
227.12749	8.6
229.14297	25.8
265.14307	2.3
267.15875	3.6
275.20020	4.5
276.20395	1.6
277.19077	1.8
281.17450	41.1
283.15411	5.1
291.19595	1.9
301.16367	4.6
349.23926	2.5
389.15225	1.9
399.23660	7.3
423.27509	2.3
435.27362	50.9
473.28967	3.3
489.28525	2.0
507.29279	7.9
525.30597	2.0
565.05334	1.8
605.36865	22.8
677.02130	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	8.0
65.03925	3.1
67.05499	61.9
68.05856	1.5
69.03416	5.3
69.07057	16.5
69.44959	6.3
69.45389	5.5
69.72016	1.0
71.04971	7.0
73.02906	1.2
79.05484	59.2
79.68282	1.2
81.03415	12.7
81.07048	53.6
82.07386	1.1
83.04964	13.8
83.08615	11.3
85.02902	3.4
85.06528	4.6
91.05468	50.3
93.07034	58.7
95.04958	19.1
95.08595	26.2
97.02871	3.7
97.06512	12.5
97.10162	5.1
98.33691	1.2
99.08050	1.9
105.04517	2.3
105.07017	35.7
105.07722	2.0
106.07359	1.6
107.04945	8.4
107.07903	1.9
107.08582	22.8
109.06492	7.3
109.10154	19.3
111.04453	2.2
111.08061	4.3
115.05415	1.5
116.28447	1.2
117.07005	14.3
119.08574	24.3
121.06483	4.9
121.10131	11.3
123.08053	6.1
123.11703	2.3
125.09603	2.5
127.03887	1.5
128.06204	1.9
129.05490	1.2
129.06970	12.6
130.07765	1.2
131.08546	12.5
133.06493	1.4
133.10098	15.4
135.08054	3.8
135.11678	5.8
137.09587	2.0
142.07756	1.5
143.08537	8.8
145.06378	1.3
145.10127	14.6
147.08037	2.8
147.11667	23.4
149.09628	5.3
149.13217	7.4
151.11174	2.2
155.08540	2.0
155.10701	1.4
157.10095	2.0
159.11667	10.0
161.09587	4.6
161.13251	7.3
163.03984	1.5
163.11192	4.5
169.10046	2.4
171.11670	18.1
173.04446	2.2
173.11729	3.9
173.13237	3.4
177.12712	1.7
184.07350	1.9
189.12704	6.4
195.13806	1.8
207.13776	16.9
219.02188	1.3
225.14859	1.9
227.12776	4.0
229.14264	9.7
239.17979	2.5
247.20357	1.3
257.18912	5.9
269.17499	2.8
275.20013	17.7
276.20343	2.0
281.17432	48.2
282.18011	1.4
291.19537	1.5
293.21060	2.7
297.11230	1.1
331.22656	1.9
349.23743	11.0
413.21695	3.3
435.27377	39.2
436.28021	1.5
451.26691	1.5
475.30530	100.0
476.30801	3.3
527.36945	2.8
537.35840	3.0
555.36774	31.3
556.36957	1.6
573.37439	3.0
587.39105	7.2
601.33167	1.5
607.42645	2.4
619.34753	16.5
623.42798	2.3
625.44659	1.6
640.43719	1.3
651.39093	1.3
668.48212	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.6
63.79958	0.6
65.03919	1.0
67.05481	2.5
69.03420	2.9
69.07019	0.8
69.53711	0.8
69.54111	5.0
70.06580	0.6
71.04972	1.0
78.29713	0.5
79.05466	2.5
80.04990	0.9
81.03403	5.8
81.07037	1.9
82.06564	1.2
82.65854	0.6
83.04942	0.8
83.08602	0.6
85.02885	2.2
89.03907	0.8
91.05479	3.8
92.04977	0.7
93.05767	1.1
93.07048	4.2
94.06561	5.8
95.04922	2.2
95.07317	2.1
95.08566	1.6
96.08130	6.1
97.02865	1.9
97.06463	0.8
98.21460	0.6
99.04426	0.8
103.05450	0.9
104.04926	0.6
105.06954	1.2
106.06510	2.0
107.07287	0.9
107.08577	1.2
108.04452	1.4
108.08105	10.9
109.02869	4.7
109.10098	1.0
109.87608	0.6
110.09656	7.3
115.05379	0.7
116.04952	2.9
117.05697	0.9
117.07024	0.6
118.06501	1.7
119.08591	1.0
119.43408	0.5
120.04436	3.2
120.08087	7.6
121.10155	1.1
122.06022	9.1
122.09636	2.5
124.07569	6.9
127.03886	2.4
128.11803	0.6
129.06993	1.0
130.06433	0.6
131.04892	0.6
132.04314	0.7
132.08075	0.9
133.06421	0.7
134.05971	2.4
134.09612	0.7
135.04434	0.8
136.07567	18.9
137.05931	0.7
138.09137	11.7
139.15584	0.5
143.08521	1.2
144.04457	4.5
144.08072	1.0
146.04889	1.2
146.05994	17.4
146.09650	0.7
147.04385	2.2
148.03888	0.7
148.07545	5.5
150.05460	2.5
150.09128	5.2
152.07024	1.9
153.06883	1.0
154.06477	0.9
155.07249	1.1
155.08524	1.2
156.08064	1.2
157.08788	0.8
157.10016	0.8
158.05913	1.3
158.09622	1.4
159.06898	0.5
159.11729	0.8
160.03918	2.4
160.07591	2.4
161.08141	0.7
162.05489	7.9
163.03867	1.8
163.11235	0.6
164.07050	3.4
165.05551	0.8
166.08630	14.4
167.07065	1.3
168.08098	0.8
169.08772	0.6
169.10162	0.7
170.09618	6.0
171.09131	0.7
172.03926	22.2
172.07545	1.9
172.09866	1.3
172.11192	2.3
173.07068	0.7
174.05484	7.7
174.09077	1.1
175.08664	1.1
176.07104	1.0
177.05447	1.1
178.04924	0.9
180.06606	0.8
181.08858	1.0
182.09654	1.5
183.06714	1.2
183.09181	1.0
184.07477	1.8
184.11224	1.9
185.08347	1.0
185.10735	1.0
186.05424	1.0
186.09105	2.5
187.08601	1.2
187.12297	5.9
188.06992	1.2
188.10612	0.9
190.04971	10.6
192.06474	1.0
194.08174	0.8
196.07571	1.1
196.09810	1.5
197.08424	0.7
197.10742	1.0
198.09157	26.6
199.08466	1.0
199.12279	2.3
200.09109	2.9
200.10756	2.1
201.06483	0.9
201.10143	0.9
202.08630	1.3
204.06538	30.3
206.08138	1.9
207.09128	1.0
208.09811	1.2
209.10768	0.8
210.09084	2.2
210.11198	0.8
211.08678	1.2
211.12299	2.0
212.10658	5.2
213.10176	5.4
213.13864	1.1
214.08685	1.1
215.08308	1.0
215.11784	22.5
216.10315	2.7
216.11995	0.7
223.08638	1.2
223.12263	1.3
224.07263	0.7
225.10194	2.5
226.08945	5.9
226.10875	1.1
227.08142	2.7
227.11761	10.3
228.08896	1.6
229.13455	2.7
231.11243	1.0
232.09840	1.1
234.09143	1.1
234.11273	0.7
235.08691	1.1
236.09470	2.2
237.10236	2.3
238.08594	1.5
239.08148	0.9
239.11856	3.0
240.08801	2.1
240.10298	2.6
241.09721	15.4
241.13326	3.0
242.10318	3.0
243.11261	100.0
244.09619	2.2
244.11731	1.5
246.11249	1.0
249.10226	1.2
250.10945	1.0
251.08096	1.0
251.11696	3.3
253.09737	4.1
253.13287	1.7
254.10318	1.0
255.11269	38.0
256.11884	2.5
257.12811	9.2
259.10669	0.7
263.08221	0.7
264.08896	2.2
265.09857	1.2
267.11267	3.1
268.09531	1.0
269.09180	6.1
269.12772	2.0
271.14194	0.7
273.12320	1.1
277.09613	0.9
279.07993	1.0
279.11252	6.5
281.09308	1.2
281.12640	1.4
283.10751	22.2
284.11484	2.9
285.12299	98.0
286.12659	1.6
292.08331	1.4
293.09210	1.8
295.10703	2.7
297.12234	5.7
299.10284	0.8
299.14059	0.8
301.11853	5.5
302.12531	1.7
303.13358	9.8
305.09109	0.8
307.10806	5.8
309.12241	2.8
311.10260	2.5
311.13892	0.8
313.11969	1.8
321.08685	2.4
325.11768	13.3
329.11179	1.3
329.14752	0.9
337.11728	1.3
339.13220	1.8
341.14883	1.0
343.12912	3.8
345.14462	2.3
357.14560	7.2
358.15326	1.7
359.16180	3.5
370.15475	0.8
371.13580	1.4
375.15054	1.0
386.14807	0.8
391.12775	0.7
393.14392	2.3
396.13516	0.8
398.14587	0.9
400.16577	1.2
403.15067	1.1
409.13693	2.7
410.15121	0.8
411.15540	6.6
414.14548	2.1
416.16245	1.0
427.14951	11.7
428.15585	1.1
429.16501	11.7
430.16934	0.9
439.14633	0.6
444.15448	1.5
445.16043	7.6
447.17630	11.9
456.15631	5.1
457.16217	1.5
458.16812	1.2
462.16919	1.0
474.16647	3.1
475.16656	0.7
544.20398	1.9
546.22021	1.1
556.21948	0.7
562.21490	1.7
570.18457	2.5
574.21570	1.6
576.19336	0.9
581.24048	1.3
582.18713	1.8
588.19470	4.3
592.22089	0.7
598.23639	1.5
600.19226	2.2
606.20599	2.6
609.23175	4.4
610.23230	0.9
618.20563	2.7
620.22241	1.0
627.24469	1.2
641.26672	0.7
669.25061	1.2
689.25977	3.1
691.28351	1.3
707.27209	4.0
709.28284	1.4
717.25024	1.7
721.28406	0.7
725.27856	1.6
727.29169	1.6
735.26721	8.6
739.29034	1.0
743.28827	2.0
753.27472	7.7
767.28802	1.3
771.28528	15.9
785.29266	1.6
803.29993	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.312
Annotation	Unknow
Peak:m/z	Relative Intensity
62.68903	0.6
65.03909	1.7
67.05460	1.9
69.03381	2.2
69.87974	3.0
69.88391	0.9
70.06576	0.7
71.04944	1.2
79.05473	2.8
80.04984	1.5
81.03394	3.5
81.07023	1.3
82.06534	1.0
83.04955	0.9
83.08570	0.6
84.08131	0.6
85.02856	1.8
89.03881	1.1
91.05473	2.9
92.04995	0.7
93.05735	1.3
93.07005	2.5
94.06544	6.3
95.04951	1.1
95.07301	2.1
95.08576	0.9
96.08112	4.8
97.02882	2.8
97.06487	1.3
99.04382	0.8
103.05462	1.0
104.05000	0.7
105.06990	1.6
106.06519	3.0
107.07305	1.1
107.08513	0.9
108.04420	1.0
108.08101	11.1
109.02869	3.3
110.09669	5.8
111.04419	0.6
116.04922	2.3
117.05711	0.7
118.06498	1.9
119.04868	1.0
119.08575	0.8
120.04414	2.0
120.08083	6.7
121.10106	0.7
122.06007	10.6
122.09621	2.9
124.07571	6.6
127.03850	1.8
128.06155	0.9
128.60162	0.5
129.07011	0.8
132.08014	1.0
134.05963	2.4
135.04352	0.7
136.06581	1.2
136.07555	18.5
136.08598	1.0
138.05470	0.9
138.09111	9.8
143.08441	0.8
144.04404	5.8
144.08008	0.6
145.02785	1.2
145.08842	0.7
145.10025	0.8
146.05978	16.6
146.09621	1.3
147.04398	3.8
148.03838	0.7
148.07536	5.3
150.05466	2.0
150.09122	3.5
152.07019	1.9
153.06958	0.9
154.05023	0.7
155.07378	0.7
155.08498	1.0
156.08031	1.2
157.10062	0.8
158.05951	1.1
158.09602	0.8
160.03923	1.7
160.07510	1.9
161.07030	1.1
162.05458	6.4
162.09145	0.7
163.03885	1.8
164.06999	2.9
165.09090	1.7
166.08614	12.6
167.07178	1.2
168.07965	0.9
169.08878	0.9
170.08253	0.9
170.09569	4.0
172.03914	24.8
172.07510	2.6
172.09839	1.0
172.11151	1.4
173.04298	0.8
173.06996	1.0
173.08316	0.7
174.05464	6.3
174.09047	1.9
175.08644	1.6
177.05585	1.0
180.06528	1.2
182.09639	0.9
183.06750	0.9
183.09151	0.6
184.07538	1.3
184.11201	1.4
185.10686	1.1
186.09114	1.9
187.08687	1.1
187.12233	5.6
188.07008	0.8
189.10204	0.9
190.04945	9.3
192.06497	1.4
194.08125	1.5
196.09816	1.2
197.06903	0.9
197.08472	1.4
197.10619	1.3
198.09134	26.9
198.11092	1.0
199.08598	0.9
199.12254	1.4
200.09378	2.5
200.10760	2.0
201.10164	0.7
202.08638	1.3
204.06531	36.5
205.07001	0.8
205.12177	0.7
206.08006	3.2
207.09024	1.0
208.09914	1.0
209.10898	0.9
210.09106	2.1
211.08615	2.1
211.12241	2.3
212.07141	1.2
212.09154	2.4
212.10678	6.4
213.10072	3.7
213.13773	0.8
214.08704	1.3
214.10732	0.9
215.08394	1.2
215.11761	21.0
216.10126	2.5
216.12004	0.7
221.10774	0.9
223.08600	1.5
223.12253	1.0
224.06995	0.6
225.10202	3.8
226.08871	6.7
226.10893	1.3
227.08174	1.6
227.11737	9.7
228.08830	1.7
229.09663	1.8
229.13336	2.2
231.11299	1.9
232.09642	0.8
233.46442	0.7
234.09009	1.2
235.08623	1.3
236.09422	2.3
237.10216	2.1
238.08615	1.6
238.10866	0.8
239.08020	1.1
239.11714	2.2
240.08665	1.9
240.10172	3.0
241.09688	15.3
241.13264	3.1
242.10249	2.9
243.11247	100.0
244.09567	2.0
244.11650	1.5
246.11235	0.8
249.10124	1.3
250.10985	0.9
251.11771	3.0
253.09628	4.2
253.13345	1.4
254.10440	0.9
255.11243	35.1
256.11945	3.4
257.12799	9.0
260.36487	0.6
263.08163	1.3
264.08929	2.6
265.09686	1.4
266.10635	0.8
267.11194	3.1
269.09167	4.2
269.12726	1.1
273.12338	0.7
277.09644	0.9
279.11139	4.5
281.09351	0.8
281.12781	2.0
283.10733	21.0
284.11368	2.9
285.12283	96.1
286.12628	2.1
287.10419	0.9
291.07730	0.7
292.08368	0.7
293.09134	2.2
295.10739	2.6
297.12265	5.3
301.11874	4.7
302.12540	1.7
303.13367	11.9
307.10696	4.9
309.12280	1.3
311.10214	1.8
313.11777	1.2
321.08582	2.1
325.08243	1.0
325.11780	11.7
327.13583	1.3
329.14877	1.1
337.11969	1.2
339.09778	0.8
339.13458	2.2
341.14993	2.4
343.12848	3.5
345.14331	1.8
356.13779	0.7
357.14334	8.6
358.15280	1.7
359.16043	3.8
365.14685	0.6
368.14090	0.9
370.15347	0.9
371.13593	0.6
375.15417	1.2
382.15793	0.9
385.14621	0.7
386.14661	1.3
393.14471	2.2
396.13263	0.9
409.13797	2.2
411.15515	7.1
412.16696	1.0
414.14438	1.1
416.16000	0.9
422.38708	0.6
427.14938	11.5
428.15762	1.4
429.11209	0.5
429.16483	13.3
430.17480	1.4
438.14297	1.3
444.15524	1.0
445.16000	7.4
446.16864	0.9
447.17542	11.9
448.17862	1.0
453.11856	0.6
456.15588	2.6
474.16537	2.2
475.17197	0.8
476.18137	1.1
483.13797	0.9
544.20471	1.3
546.22620	1.2
548.32159	0.7
556.20734	0.7
562.21857	1.9
565.24652	0.8
570.18317	1.2
574.21576	1.2
580.22760	1.1
581.24677	0.7
582.18170	1.5
583.25098	0.9
588.19678	3.4
591.22107	0.9
598.23505	1.4
600.19696	2.0
602.21747	0.7
606.20422	1.3
609.23157	3.5
610.23846	1.2
618.20544	1.6
620.21899	1.1
627.24451	0.8
641.26294	1.4
648.21729	1.4
650.23932	0.7
680.23871	0.9
689.25897	2.8
691.26874	1.5
707.27069	3.5
709.28455	1.0
717.25153	1.9
725.27930	1.7
727.29297	1.7
735.26233	7.7
739.30188	0.9
743.29340	1.3
753.27600	7.6
767.29291	0.8
771.28583	16.6
772.27905	1.1
785.31177	0.9
803.31293	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.312
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	0.5
63.79642	0.5
65.03929	0.8
67.05473	1.7
69.03403	1.8
70.00712	2.3
70.06528	0.7
71.04968	1.4
79.05458	1.6
80.04986	0.5
81.03406	3.9
81.07053	1.1
83.04934	0.6
85.02896	2.2
89.03904	1.0
91.05469	2.3
92.04986	0.6
93.05746	0.7
93.07027	2.1
94.06548	3.5
95.04939	1.2
95.07348	1.1
95.08591	1.1
96.08117	3.8
97.02865	2.0
97.06492	1.5
98.21394	0.7
99.04462	0.8
102.66772	0.5
105.06995	1.3
106.06513	1.1
107.04933	0.6
107.07317	1.1
107.08563	0.9
108.04433	1.2
108.08112	7.3
109.02856	3.6
109.10174	0.6
110.05959	0.5
110.09655	5.0
116.04946	1.5
118.06524	0.6
119.04890	0.4
119.08538	1.0
120.04456	2.1
120.08092	5.1
121.06453	0.6
122.06017	6.4
122.09643	2.0
124.07581	5.1
127.03899	0.9
128.06175	0.7
129.07008	0.8
131.04927	0.6
131.08543	0.8
132.08047	1.1
133.10068	0.6
134.05962	1.7
135.04324	0.6
136.07558	12.7
137.05940	1.2
138.09106	6.6
143.08470	0.7
144.04433	3.9
144.08057	1.4
145.02821	0.6
146.05978	9.0
146.09578	0.6
147.04384	2.9
147.06396	0.6
148.03842	0.6
148.07539	3.7
150.05507	1.4
150.09093	2.1
152.07024	1.7
154.05023	1.1
154.06451	0.6
155.07324	0.8
155.08521	0.9
157.10109	0.9
158.05981	1.4
158.09613	1.2
160.03905	1.9
160.07556	1.9
161.07100	0.8
162.05498	5.5
162.09045	0.5
163.03824	1.6
164.07066	2.2
165.09102	1.5
166.08615	7.9
167.07106	0.9
168.08009	0.6
169.08842	1.3
170.08330	0.7
170.09628	4.6
172.03911	21.3
172.07521	1.8
172.09904	0.9
172.11237	1.5
173.07082	0.5
174.05457	3.8
174.09085	1.5
175.08687	1.4
177.05505	0.7
178.04959	0.9
178.08563	0.6
181.04935	0.8
182.09613	1.1
183.06731	1.0
184.07599	0.9
184.09808	0.6
184.11203	1.0
185.07004	0.6
185.10806	0.7
186.09123	1.9
187.08643	1.0
187.12276	5.2
188.07040	1.0
188.10690	0.8
189.10210	0.6
190.04964	6.6
192.06540	0.8
194.08141	0.7
196.07527	0.5
196.09824	0.6
197.08241	0.6
197.10710	1.1
198.09137	24.3
199.08675	0.7
199.12282	1.0
200.07036	1.0
200.09375	2.8
200.10756	1.6
201.10152	0.9
202.08568	0.9
204.06537	34.9
206.08122	1.4
210.09108	1.8
211.08624	1.0
211.12273	1.7
212.07324	0.8
212.10863	6.5
213.06493	0.7
213.10103	3.0
213.13770	0.8
214.08640	1.1
214.10579	0.6
215.11768	21.0
216.10191	2.0
221.10629	0.9
223.08667	1.1
223.12238	0.6
225.10126	2.5
226.08775	6.9
227.08150	1.6
227.11795	6.0
229.09636	1.0
229.13322	1.5
231.11203	1.4
232.09668	1.4
235.08759	0.7
236.09436	1.0
237.10187	1.4
238.08675	1.1
239.08150	1.4
239.11778	1.5
240.08446	0.8
240.10109	3.2
241.09688	10.6
241.13316	2.1
242.10335	3.4
243.11255	95.6
244.09447	2.4
244.11754	2.8
246.11220	0.7
249.10330	0.5
251.08067	1.0
251.11768	1.8
253.09764	2.4
254.10437	0.7
255.11259	24.2
256.11948	2.7
257.12842	6.7
258.13080	0.6
264.08853	1.3
265.09705	1.0
267.11191	1.8
269.09164	3.6
269.12607	1.0
277.09659	0.9
279.07828	1.0
279.11282	2.9
281.09067	0.8
281.12759	0.9
283.10730	13.7
284.11487	2.2
285.12289	100.0
286.12604	2.9
287.10236	1.7
292.08267	0.9
293.09247	0.7
295.10706	1.4
297.12164	3.9
299.10519	0.5
299.13953	0.8
301.11725	4.5
302.12518	2.0
303.13345	11.2
305.11279	1.3
307.10815	3.3
309.12427	0.8
311.10205	1.5
313.11792	1.1
321.08511	0.8
323.13889	0.5
325.11813	9.2
339.13226	1.3
341.15073	0.7
342.15796	0.6
343.12897	2.9
345.14420	4.7
355.13110	0.5
356.13995	0.7
357.14398	7.0
358.15256	0.8
359.15778	2.0
368.13547	0.5
370.15591	0.9
375.15671	1.1
393.14389	1.5
409.14072	1.4
410.14355	0.7
411.15500	8.0
412.16400	0.9
416.15704	0.8
426.14493	0.6
427.14929	5.7
428.15564	1.1
429.16531	13.0
430.16891	0.8
444.15564	1.1
445.15958	3.4
447.17538	12.5
448.18085	0.9
456.15454	2.2
458.16711	0.5
461.29544	0.5
473.16245	0.6
474.16574	1.1
476.18341	0.7
481.61508	0.5
506.19116	0.7
534.45386	0.5
544.20380	0.9
546.21277	0.6
552.24207	0.7
562.21558	1.6
565.24005	0.6
576.19110	0.8
581.23511	0.8
588.19720	2.1
600.19470	1.2
602.21155	0.8
606.20618	1.0
609.23340	4.0
618.20648	1.9
620.22302	1.0
632.21686	0.6
641.25244	0.5
648.21173	0.5
650.22968	1.0
669.24774	1.1
689.25739	1.5
691.27673	0.9
707.26721	2.3
709.27332	0.7
717.24976	1.6
725.28033	1.0
735.26324	5.3
743.28632	0.9
753.27490	4.4
767.28821	1.3
771.28369	7.5
772.29327	0.9
785.29877	1.4
803.32568	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10760	0.5
56.50458	0.6
57.03412	0.7
65.03925	1.4
67.05477	2.6
69.03405	2.4
69.07039	0.6
71.04972	1.2
79.05468	2.6
80.04997	1.3
81.03410	4.9
81.05777	0.8
81.07036	1.8
83.04953	1.1
85.02889	1.8
89.03905	1.0
91.05444	2.9
92.04990	0.8
93.05762	1.5
93.07029	3.2
94.06570	5.8
95.04931	2.6
95.07311	2.0
95.08586	0.8
96.08109	6.3
97.02874	1.7
97.06499	1.5
99.04436	0.6
103.05435	1.2
105.06984	1.4
106.06528	1.4
107.07315	1.9
107.08519	0.7
108.04439	1.7
108.08110	12.0
109.02865	3.8
110.09660	9.0
111.76006	0.6
115.05412	0.8
116.04957	3.3
118.06499	1.6
119.08546	0.9
120.04451	2.7
120.08093	8.1
121.10090	1.0
122.06011	10.3
122.09651	2.9
124.07584	6.0
127.03884	2.0
129.06978	1.1
130.06503	0.9
131.08551	1.0
132.04478	0.7
133.10130	1.2
134.05978	2.0
136.07549	17.8
138.05605	0.7
138.09106	11.2
138.10107	0.6
143.08568	0.8
144.04420	4.9
144.08084	1.4
146.05991	14.1
147.04388	1.4
147.11589	0.6
148.07541	4.6
150.05476	1.3
150.09134	5.3
152.07059	2.4
154.06564	0.8
155.07256	0.8
155.08481	1.0
157.10104	0.8
158.06020	1.4
158.09639	1.0
160.03928	2.7
160.07510	1.9
161.07118	1.0
162.05473	7.8
162.09094	0.7
163.03853	1.4
164.07040	2.8
166.08618	14.8
167.07228	1.3
168.08060	0.9
170.06010	0.7
170.09595	4.4
172.03905	21.2
172.07559	1.6
172.09897	1.0
172.11200	1.5
173.08304	0.8
174.05504	6.9
174.09090	1.4
175.08586	1.4
176.07117	1.4
180.10225	0.7
181.08864	1.2
182.09663	1.2
183.06778	1.5
183.09212	1.0
184.07549	0.7
184.11217	1.6
185.10776	0.8
186.09172	2.9
187.08615	1.0
187.12227	5.8
188.07129	1.4
188.10666	1.6
190.04944	9.2
192.06497	1.3
194.08165	1.0
196.09807	1.3
197.08348	1.2
197.10738	1.8
198.09140	28.1
199.12192	1.5
200.09401	2.9
200.10785	2.1
201.06407	0.8
201.10175	1.5
202.08507	1.1
204.06532	30.0
205.06888	0.9
206.08154	2.2
208.09763	0.9
209.10707	1.0
210.09126	2.8
210.11295	0.9
211.08601	1.1
211.12323	2.1
212.09169	1.9
212.11034	5.4
213.10109	4.7
214.08696	1.4
214.10832	0.7
215.11768	19.7
216.10150	2.9
218.08173	0.8
221.10619	0.8
223.08658	1.1
223.12230	1.4
225.10036	3.5
226.08850	6.8
227.08110	2.0
227.11748	9.8
228.08791	0.9
229.09628	1.4
229.13385	1.9
231.11319	1.4
232.09700	1.9
234.11317	0.8
235.08574	0.8
236.09360	1.8
237.10220	1.9
238.08694	1.0
238.10916	0.9
239.08087	1.3
239.11748	2.7
240.08835	2.3
240.10275	2.5
241.09705	13.1
241.13359	3.3
242.10426	3.8
243.11256	100.0
244.09659	2.6
244.11606	2.3
246.11224	1.8
249.10315	1.3
250.10948	0.8
251.08105	0.7
251.11801	2.6
252.10081	1.2
253.09747	3.6
253.13193	1.1
254.10358	1.0
255.11250	34.7
256.11902	2.1
257.12802	7.7
260.09027	0.7
264.09036	0.8
265.09708	1.1
266.10559	0.8
267.11237	3.2
269.09222	3.8
269.12848	1.2
277.09659	1.3
279.11249	5.1
281.12817	1.2
283.10715	18.1
284.11395	1.9
285.12292	95.0
286.12546	2.3
291.10934	1.0
292.08411	1.1
293.09201	1.3
295.10724	1.8
297.12238	4.8
299.10251	0.9
301.11813	3.3
302.12521	2.1
303.13376	8.8
307.10733	5.6
309.12405	0.9
311.10291	1.8
313.11774	1.5
321.08667	1.3
325.11761	11.3
326.12399	0.6
329.11624	0.7
339.13602	2.1
341.15027	1.0
342.12466	0.6
343.12701	3.0
345.14368	3.0
357.14764	5.6
358.15414	1.4
359.15878	2.0
367.14056	1.1
368.13968	0.8
370.15582	1.2
371.13626	0.6
375.15521	1.2
393.14355	2.0
397.14536	0.9
400.16391	0.9
403.14996	1.1
409.13885	1.7
410.14764	1.1
411.15588	5.7
415.15646	0.9
427.14819	6.9
428.15814	1.5
429.16577	10.4
430.17093	1.0
438.14761	0.9
444.15271	1.3
445.16156	5.6
447.17578	13.5
456.15524	2.6
457.15881	0.8
458.17233	1.1
470.17102	4.5
474.16507	2.1
488.18109	1.4
544.20728	2.3
556.20618	0.8
562.21655	2.2
563.22937	0.9
565.23865	1.0
570.18414	1.5
574.21375	1.2
576.19543	1.4
580.22614	1.6
581.24158	0.9
582.18268	1.1
588.19708	5.1
591.22064	1.7
595.25165	1.2
598.24091	1.3
600.19348	1.9
606.20428	2.1
609.23145	4.7
618.20819	2.6
620.22107	0.9
623.24969	2.0
632.22498	0.9
669.25482	0.8
689.26202	3.0
691.27472	0.8
707.27124	4.7
717.25476	1.7
721.28815	0.9
725.27405	2.1
727.29327	1.0
735.26276	6.3
739.28967	1.2
743.29230	1.6
753.27576	5.8
757.30048	1.0
767.29175	1.4
771.28406	9.8
785.30133	24.5
786.30701	0.9
803.30969	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	1.1
67.05475	1.8
69.03397	1.8
69.07058	0.7
71.71204	0.9
79.05461	1.8
80.04990	0.8
81.03403	3.6
81.05776	0.5
81.07027	1.5
82.06532	0.7
82.90314	0.5
83.04988	0.9
85.02898	1.4
89.03891	1.0
91.05456	2.2
93.05754	0.8
93.07015	2.2
94.06543	5.6
95.04926	1.5
95.07321	1.4
95.08609	0.6
96.08115	4.0
97.02878	1.4
97.06495	1.5
99.04453	0.6
103.88520	0.5
105.07026	0.6
106.06522	1.6
107.07302	1.7
108.04470	1.0
108.08102	11.6
109.02866	3.7
110.09068	0.5
110.09673	5.6
116.04966	2.6
118.06507	1.5
120.04456	2.9
120.07412	0.6
120.08102	5.9
122.05209	0.8
122.06016	9.1
122.09629	2.3
123.04276	0.6
124.07574	7.5
127.03883	1.1
128.06192	0.7
129.06979	0.8
132.04379	0.6
132.07999	0.9
134.05989	2.7
135.11641	0.5
136.07553	18.0
138.09123	12.5
142.26434	0.5
143.08467	0.8
144.04431	4.6
144.08017	1.2
146.04886	1.0
146.05986	14.3
146.09598	0.5
147.04422	1.0
148.03896	1.0
148.07539	4.2
150.05463	2.0
150.09123	5.3
152.07042	1.5
154.06516	0.6
155.07271	1.0
155.08450	1.0
156.08044	1.1
157.08862	0.7
158.06039	0.8
158.09642	1.0
160.03903	2.7
160.07559	2.4
161.07053	1.3
161.08319	0.6
162.05487	6.2
163.03854	1.8
164.07095	2.9
166.07266	0.8
166.08618	12.0
167.07210	1.1
168.07961	0.8
169.08832	1.1
170.05983	0.6
170.08383	0.7
170.09641	5.6
172.03911	23.0
172.07492	2.4
172.11203	1.9
173.07112	0.6
173.08397	0.6
174.05478	8.5
174.09102	1.9
175.08655	2.2
176.07042	0.9
177.05420	0.6
178.08635	0.9
180.06581	0.9
182.09673	1.0
183.06778	1.2
183.09067	0.8
184.07509	1.2
184.09824	0.9
184.11220	1.5
185.08328	0.6
186.09122	2.1
186.11546	0.9
187.08696	0.9
187.12242	5.0
188.07089	0.7
188.10718	1.2
189.10219	0.9
190.04965	8.6
191.05348	0.6
192.06529	2.2
194.08098	1.4
196.07565	1.0
196.09766	1.1
197.08372	1.6
197.10786	1.3
198.09140	26.4
199.08595	0.7
199.12289	1.6
200.07036	0.9
200.09401	1.8
200.10768	1.7
201.06606	0.8
201.10124	0.9
202.08614	1.0
204.06537	32.6
206.08119	1.9
207.09093	0.9
208.09758	0.8
210.09128	2.6
210.11235	0.9
211.08653	1.9
211.12332	1.7
212.07083	1.3
212.09142	2.2
212.11020	6.2
212.12918	0.8
213.10155	5.4
213.13782	1.0
214.08705	0.8
215.11769	20.3
216.10194	2.4
222.07639	0.6
223.08601	0.9
223.12267	1.3
225.10190	4.2
226.08943	6.0
226.10878	1.1
227.08295	2.7
227.11765	9.7
228.08736	1.2
229.09688	1.9
229.13298	1.9
231.11227	1.2
232.09671	0.7
234.09102	0.8
235.08635	0.8
236.09441	2.0
237.10162	2.2
238.08640	1.2
238.10979	0.5
239.08186	1.5
239.11760	2.6
240.08832	2.8
240.10286	2.1
241.09663	14.2
241.13237	3.5
242.10390	3.1
243.11253	100.0
244.09598	1.8
244.11597	1.9
246.11252	1.2
249.10071	0.7
250.10826	0.9
251.08163	1.3
251.11765	2.4
253.09618	3.0
253.13341	1.3
254.10365	1.0
255.11252	38.6
256.12012	2.4
257.12769	8.9
263.08038	0.8
263.11649	0.5
264.08865	1.4
265.09717	1.4
266.10376	0.7
267.07568	0.6
267.11227	2.2
269.09183	5.6
269.12775	1.0
271.10721	0.7
271.14352	0.6
277.09500	1.1
278.10489	0.9
279.08035	1.1
279.11258	4.4
281.09525	1.1
281.12878	1.8
281.61401	0.5
282.10004	0.6
283.10724	23.8
284.11426	2.8
285.12289	95.8
286.12616	1.9
292.08475	1.1
293.09180	1.7
295.10767	1.5
296.11404	0.7
297.12289	5.5
299.13782	0.8
301.11813	4.9
302.12558	1.2
303.13391	10.2
307.10709	4.7
309.12286	1.7
311.10187	2.4
311.13867	0.9
313.11816	1.9
321.08749	1.6
325.11734	11.7
327.13562	1.3
329.14984	0.8
339.13443	1.7
341.15109	1.4
343.12866	3.0
345.14481	1.8
357.14426	7.6
358.15466	1.1
359.15939	4.6
370.15497	0.8
371.13620	1.0
375.15894	0.6
381.10648	0.6
386.14813	1.6
393.14444	2.2
396.13382	1.1
400.16656	0.7
403.15707	0.8
409.13803	2.3
411.15460	7.6
414.14529	1.4
416.16141	0.7
420.16931	0.6
427.15018	10.6
428.15927	2.0
429.16519	14.2
430.17258	1.0
438.14273	0.6
439.14700	0.7
444.15530	1.0
445.16064	6.8
447.17575	13.0
448.18332	1.1
456.15472	4.6
473.15729	0.7
474.16629	2.7
532.03357	0.6
544.20660	0.7
562.21704	1.6
565.23920	0.8
570.18335	1.4
574.21667	0.8
576.19623	0.9
580.22882	1.7
581.23297	1.0
582.18646	1.6
588.19556	3.8
591.21753	0.9
592.22186	1.0
598.23523	0.9
600.19800	1.6
602.20935	0.9
606.20679	2.3
609.23517	3.1
610.23877	0.8
618.20496	1.5
627.24451	0.8
641.26074	0.9
689.25775	2.3
691.27393	1.3
707.27045	3.1
709.28406	1.9
717.24915	1.6
725.27679	2.0
727.29535	1.2
735.26398	8.7
739.29205	0.7
743.29211	1.5
753.27588	9.5
767.28369	1.0
771.28528	17.9
772.28424	1.0
785.29926	1.0
803.31238	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59300	1.8
57.03429	12.2
57.07059	4.0
57.36446	2.4
61.02907	8.2
65.03913	7.8
67.05495	86.0
69.03422	22.5
69.07058	40.5
69.48325	8.0
69.48757	11.1
71.04993	9.7
73.02918	4.4
79.05483	74.1
81.03407	40.1
81.07044	100.0
83.04973	17.7
83.08601	21.7
85.02884	15.8
85.06500	4.8
91.03938	3.5
91.04925	3.7
91.05471	72.3
92.05769	3.5
93.07032	71.4
95.04958	21.4
95.08590	63.5
96.05252	2.3
97.02868	14.0
97.06509	31.8
97.10141	9.5
99.04422	6.7
99.08060	4.9
103.05450	3.6
104.69382	2.1
105.07015	76.6
106.07295	3.1
107.04946	18.4
107.07910	3.4
107.08583	51.7
109.02876	7.0
109.06494	16.4
109.10137	29.6
111.04433	4.2
111.08047	9.5
115.05422	4.2
116.06253	2.3
117.06999	28.4
119.08563	53.4
120.08862	2.6
121.06496	11.1
121.10123	28.5
123.08031	11.2
123.11650	6.1
125.09601	12.5
127.03896	11.8
128.06175	6.0
129.05466	4.2
129.06979	16.0
131.04875	3.7
131.08545	40.3
133.06419	4.5
133.09166	3.5
133.10107	46.8
135.08032	12.9
135.11655	17.6
137.05974	3.8
137.09615	8.1
141.06958	7.5
142.07701	2.9
143.08545	18.2
145.06500	4.2
145.10091	32.6
147.08028	8.8
147.11665	28.0
149.09567	21.1
149.13197	10.1
151.11111	7.0
155.08557	5.6
156.09204	2.5
157.10109	16.5
159.08040	5.8
159.11681	26.6
161.09621	4.0
161.13257	9.8
163.11157	11.6
165.09152	3.0
165.12715	5.9
167.08505	3.9
169.10139	10.1
171.08072	2.4
171.11647	16.3
173.04466	12.7
173.09599	6.2
173.11819	3.2
173.13211	10.4
175.11145	9.1
175.14766	2.9
177.09067	2.2
177.12657	7.0
179.08444	2.3
179.14296	3.6
181.10097	4.0
183.11696	9.6
185.09557	4.2
185.13231	7.9
187.11179	4.7
187.14726	4.6
189.11157	5.6
189.12756	4.2
191.14345	2.8
195.11630	5.1
197.13229	6.9
199.11130	3.2
199.14835	4.0
201.12709	5.7
207.24203	2.1
211.14783	5.5
223.14674	2.5
227.12755	14.1
227.17886	3.4
229.14220	3.8
229.19498	4.9
231.13759	2.4
239.17906	5.3
241.19420	2.7
245.13658	2.3
247.20605	6.0
257.18961	16.7
259.20453	4.9
269.17355	6.6
273.18478	4.9
275.20032	83.2
275.23029	4.4
276.20355	5.3
285.22043	2.2
291.19592	3.9
293.21042	7.0
313.21680	2.3
323.25616	2.2
331.22684	4.8
333.24594	2.4
349.23718	44.0
349.33752	2.3
351.56888	2.3
367.24469	3.0
413.21283	3.3
435.32507	2.8
525.35614	4.5
529.35614	4.1
542.62506	2.5
543.36664	22.1
595.43164	2.7
605.42084	4.9
613.44153	2.8
622.16602	2.4
623.33954	3.8
623.42926	25.8
641.44019	19.5
665.44037	2.8
705.42267	3.9
785.48260	4.4
803.48578	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	803.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	15.1
57.07067	7.7
61.02913	11.6
65.03916	5.1
67.05496	91.0
69.03423	25.8
69.07061	47.3
71.04977	9.8
71.71124	5.4
73.02895	6.0
79.05476	80.4
79.41677	3.7
81.03405	44.0
81.07049	100.0
83.04969	19.3
83.08605	39.2
85.02882	22.2
85.06550	4.6
86.09667	3.3
91.04927	5.1
91.05468	80.2
93.07034	87.1
95.04955	37.6
95.08589	54.6
97.02893	15.4
97.06525	21.2
97.10153	42.2
99.04438	3.6
99.08072	3.7
103.05450	4.9
105.04472	3.6
105.07013	80.3
107.04961	18.0
107.08566	47.6
109.02824	3.9
109.06502	11.6
109.10121	25.7
111.04403	9.2
111.08058	11.9
115.05434	6.5
117.06998	45.6
119.08566	64.1
121.06502	10.2
121.10105	34.8
123.08037	13.9
123.11685	7.2
125.09595	25.1
127.03918	6.3
128.06194	4.8
129.06996	29.2
131.08549	43.5
133.06473	9.8
133.10123	46.4
135.08018	12.1
135.11684	16.0
137.09624	5.4
141.06967	9.1
142.07724	6.3
143.08540	26.5
145.06427	3.9
145.10089	47.1
147.08022	11.1
147.11685	32.7
149.09616	9.1
149.13277	8.5
153.09087	7.1
153.12781	3.7
154.07750	3.3
155.08485	17.6
157.10086	25.5
159.08058	8.5
159.11696	28.2
161.09615	9.1
161.13257	22.7
163.11145	8.5
163.14772	4.1
165.07005	4.4
167.08525	8.7
168.09433	4.0
169.10110	21.8
171.11636	20.5
173.09612	4.9
173.11887	3.6
173.13181	18.5
175.11145	8.4
175.14748	7.2
175.34033	3.1
177.12704	7.9
179.08524	3.6
181.10100	13.3
182.11000	4.3
183.11649	15.9
184.07468	4.6
185.09569	4.3
185.13176	17.7
187.11230	5.7
187.13235	3.5
187.14801	8.5
189.11269	23.1
189.16307	3.6
193.10268	4.0
193.12213	8.7
195.11697	7.6
197.13210	13.8
199.14825	9.7
201.12666	5.5
201.16310	7.2
202.81160	4.2
207.11760	3.6
209.13206	10.5
211.13167	8.4
211.14919	7.7
213.12766	4.3
213.16373	4.2
219.11610	5.5
223.13138	7.9
223.15079	3.8
227.12721	34.4
235.14760	3.7
241.19501	11.1
245.13651	5.9
247.13144	3.6
253.19568	3.9
257.19012	10.7
259.20508	27.7
267.15897	9.3
273.18466	13.5
275.19934	21.4
285.17072	5.0
285.22076	5.4
291.19495	60.0
301.21631	7.6
325.21619	4.3
333.24307	19.4
347.22168	4.0
349.23886	9.8
365.23328	20.0
379.29947	9.0
511.33615	4.2
513.36389	5.5
525.35468	15.6
529.34991	10.1
531.37726	7.5
543.36639	31.8
549.39893	6.1
584.70844	4.1
605.42841	15.9
623.42993	86.7
624.42816	7.5
641.43738	38.9
675.77222	4.5
749.45459	4.8
785.47754	11.2
803.49219	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	803.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	17.5
57.07063	3.6
59.04988	2.8
61.02913	9.1
65.03926	7.2
65.08749	2.3
67.05498	100.0
68.05830	2.4
68.48155	2.0
69.03421	26.3
69.07059	46.5
69.59947	5.8
69.60346	18.1
71.01349	3.0
71.04980	12.6
73.02902	6.0
79.05483	94.5
81.03411	40.7
81.07045	100.0
83.04974	23.1
83.08598	23.8
85.02879	15.2
85.06532	6.2
91.05467	88.5
92.05807	3.0
93.07034	80.8
95.04955	26.2
95.08598	57.2
97.02873	21.8
97.06522	45.2
97.10146	18.8
98.21516	4.3
99.04449	6.5
99.08082	3.9
101.02292	2.7
103.05418	3.4
105.07021	83.8
107.04943	29.8
107.08577	66.9
107.09321	2.5
109.02827	8.7
109.06479	12.8
109.10137	37.0
111.04412	4.3
111.08062	11.6
115.05431	5.4
117.07014	34.1
119.08565	60.8
121.06472	7.8
121.10140	26.5
123.04429	3.0
123.08038	8.0
123.11718	8.0
125.09616	16.7
127.03904	10.5
128.06183	4.9
129.05464	3.7
129.06995	19.4
131.04901	3.6
131.08553	48.3
131.90263	2.1
133.06471	6.4
133.10118	46.4
134.10480	2.3
135.08038	17.4
135.11668	16.1
137.09578	8.0
139.07545	3.2
141.06961	12.2
143.08531	15.2
145.04962	2.8
145.06424	7.2
145.10106	40.4
147.08037	3.7
147.11668	31.1
149.05865	2.4
149.09575	29.7
149.13235	7.4
151.11127	8.7
155.08540	10.6
157.10104	16.2
159.08054	5.6
159.11708	23.9
161.09578	7.1
161.13255	12.0
163.11102	16.0
167.08525	5.2
169.10150	15.8
171.10269	4.9
171.11667	16.2
173.04443	11.5
173.09592	4.9
173.11813	4.2
173.13251	15.4
175.11162	5.7
175.14894	2.7
177.12737	5.2
179.10672	2.7
179.14236	7.7
181.10034	2.9
183.11642	9.4
185.13240	6.7
187.11177	5.8
187.14807	6.0
189.09492	2.5
189.11177	11.2
189.12689	4.5
191.14314	2.5
193.10147	3.1
195.11836	3.1
195.13695	2.7
197.13226	9.8
199.11290	3.3
199.14787	3.7
201.16354	3.3
205.12141	3.0
207.11659	2.7
209.13300	3.8
211.14815	4.7
213.16405	3.9
219.11876	2.6
223.14879	3.7
227.12749	25.2
229.14244	6.9
229.19470	5.7
239.17828	7.0
245.19038	3.0
247.20482	5.7
253.18144	3.5
257.18985	20.0
259.20676	4.4
269.17352	4.1
273.18384	5.8
273.22104	2.7
275.20032	99.0
276.20319	3.0
287.19794	2.5
291.19458	5.3
293.21146	7.0
297.22235	3.0
331.22614	7.8
349.23694	63.2
365.81934	3.2
367.24493	5.8
383.22244	3.5
419.24127	3.2
453.70688	2.7
481.14432	2.7
513.36786	3.9
519.33435	5.7
525.35632	3.3
527.37378	3.9
529.35284	7.0
531.37909	4.8
543.36713	21.5
571.35651	2.5
605.42078	3.1
623.43121	40.6
641.44122	28.2
642.44403	3.6
687.40594	6.5
705.41632	3.0
785.48444	4.1
803.48486	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	803.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	25.6
57.07072	3.9
61.02907	7.1
65.03928	6.7
67.05492	100.0
69.03417	9.0
69.07055	26.7
69.13120	1.5
70.95927	3.9
70.96276	1.9
71.04967	6.7
71.08624	2.0
73.02905	4.8
79.05478	72.1
81.03405	16.8
81.07042	82.8
83.04961	8.8
83.08595	12.5
85.02901	10.9
85.06535	13.7
91.03944	2.7
91.05462	77.0
93.07025	65.0
95.04951	61.7
95.05576	1.6
95.08591	47.8
96.05326	1.5
97.02874	10.1
97.06516	14.2
97.10156	6.5
98.06848	1.7
99.04450	2.9
99.08060	2.7
105.07011	69.0
107.04930	25.1
107.08574	39.5
109.02853	2.1
109.06501	64.5
109.10130	15.2
111.04408	2.3
111.08064	5.6
113.05992	35.6
115.05436	3.9
117.06994	39.8
119.08564	43.1
121.06494	8.4
121.10128	20.4
123.04409	3.2
123.08025	12.7
123.11713	3.4
125.09621	5.0
127.03939	2.6
128.06203	7.2
129.05537	2.7
129.06992	22.1
130.07834	1.9
131.08543	44.8
131.22668	1.9
133.06467	6.9
133.10106	31.5
135.08031	43.3
135.11671	20.2
137.05891	3.2
137.09607	4.5
141.06956	9.4
141.09099	3.3
142.07747	3.6
142.52998	1.7
143.08542	23.4
144.09308	3.0
145.06454	8.0
145.10095	37.2
147.08046	8.6
147.11661	21.0
149.09615	10.9
149.13228	8.2
154.96074	1.7
155.08586	9.0
157.06445	1.9
157.10094	18.9
159.08049	8.3
159.11644	28.5
161.09599	8.9
161.13229	12.2
163.11166	4.7
165.06934	2.2
165.12688	1.6
167.08527	2.4
169.10074	11.7
171.11623	16.1
173.09595	3.6
173.11932	2.6
173.13219	11.4
174.41368	1.9
175.11176	4.8
175.14848	6.1
177.12698	8.5
179.14236	2.9
181.10063	6.8
183.11641	7.9
184.07326	1.7
185.09515	1.8
185.13257	10.3
187.11165	6.5
187.14745	8.4
189.12730	2.8
189.16396	2.2
193.10199	1.7
194.80333	1.8
195.11688	6.5
195.13596	2.4
197.13284	6.9
199.11169	2.3
199.14789	8.7
201.12711	4.9
201.16365	5.0
203.14299	2.0
205.12323	2.2
207.11745	1.8
209.13271	2.9
211.14795	3.9
213.16351	3.0
215.14291	2.2
215.17923	2.9
217.15865	10.4
227.17972	2.4
231.21048	2.2
233.15364	1.9
235.14734	2.4
237.16362	3.5
239.17882	3.4
241.14264	4.6
241.19466	10.8
255.17667	3.8
257.19034	4.4
259.20526	15.6
273.18433	26.9
275.20001	10.6
279.15866	26.6
291.19489	53.3
292.19611	2.8
297.16928	3.8
301.21237	2.0
315.23157	6.0
327.26755	7.1
330.05457	1.8
333.24252	33.4
347.22125	6.3
349.23792	7.5
365.23221	9.6
398.66058	1.6
448.94238	1.7
503.38962	2.7
513.36774	2.3
527.33472	3.0
531.38031	4.8
541.35272	2.1
543.37036	7.7
549.39240	2.6
565.39014	3.7
567.40112	3.1
605.41901	16.0
623.42963	89.8
624.43079	6.3
641.44012	34.6
642.44434	2.9
785.48560	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	804.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	4.9
59.04994	0.9
60.04520	0.4
61.02911	0.6
65.03916	0.5
67.05497	1.5
69.03420	18.9
69.56962	3.6
71.01347	0.5
71.04982	1.6
73.02900	0.9
75.04477	2.7
77.03931	0.4
79.05483	15.4
81.03405	12.4
81.07047	4.8
83.04965	0.7
85.02381	0.9
85.02894	12.1
87.04459	4.5
91.05472	15.1
93.07033	71.4
94.07359	0.6
95.04968	4.6
95.08590	3.2
97.02883	14.0
97.06506	0.5
99.04458	2.8
103.03954	0.7
103.05473	0.8
105.04498	0.8
105.07020	9.0
107.04908	2.7
107.08583	14.3
109.02867	7.0
109.06506	1.5
109.10159	0.9
111.04436	2.2
111.08086	2.2
113.85263	0.4
115.03931	3.9
115.05421	0.6
116.06235	0.8
117.06996	1.3
117.58633	0.4
119.04945	3.3
119.08572	17.9
120.41989	0.5
121.06515	3.4
121.10131	100.0
122.10467	1.1
123.04436	0.8
123.08053	2.0
123.11713	1.0
125.05977	1.0
127.03907	6.1
129.05498	2.1
129.06975	1.3
131.04938	0.6
131.08554	9.1
133.04944	2.9
133.06483	2.3
133.07471	0.5
133.10118	1.6
137.05923	0.8
139.11150	4.2
143.08603	0.7
145.02835	0.5
145.04945	4.3
145.10129	1.1
147.04390	16.6
147.08044	0.5
147.11681	0.7
149.09599	45.7
150.07614	1.1
150.09909	0.5
158.07280	0.5
159.04419	0.9
159.08084	0.5
159.11679	0.7
161.09653	0.6
163.03868	2.7
163.11209	0.9
165.09122	1.8
167.10658	40.1
170.59924	0.4
171.04413	0.6
173.06004	0.5
173.09561	0.6
175.11150	0.6
175.14827	0.5
177.05470	2.0
181.04988	0.6
187.11154	0.8
191.10648	1.5
197.06018	0.5
199.07556	1.2
207.10358	0.5
217.12076	0.4
229.08478	0.5
233.11812	0.9
239.10539	0.9
241.06914	0.6
247.13290	1.1
257.11700	1.0
265.14319	0.9
267.13766	1.3
269.15286	0.7
273.07654	0.5
275.12769	2.5
281.13855	1.3
283.15353	3.5
291.08661	0.5
293.13788	14.3
295.13177	2.1
309.09747	0.6
311.14847	59.9
312.15118	1.1
313.14355	1.8
331.15091	0.8
334.16580	0.6
407.16980	1.3
408.90216	0.5
415.05136	0.5
419.76608	0.5
421.16577	1.0
439.17697	1.3
443.19025	0.8
457.18466	8.3
475.19278	0.7
658.24597	1.1
760.87158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	13.3
57.07057	1.4
59.04988	3.2
61.02908	3.5
62.21162	1.0
64.85799	0.8
65.03926	2.0
67.05495	51.9
68.05816	1.2
69.03414	3.6
69.07063	9.5
71.01335	2.1
71.04976	3.6
71.08621	1.0
73.02905	2.4
79.05482	25.2
81.03404	14.6
81.07044	26.5
82.72071	0.8
83.01338	9.4
83.04967	13.0
83.08604	14.6
85.02888	14.0
85.06517	2.8
87.04455	3.5
91.03925	1.1
91.05466	20.0
92.05779	1.0
93.07034	26.1
95.04401	1.0
95.04955	10.5
95.08008	0.9
95.08595	13.5
97.02890	6.9
97.06515	5.6
97.10149	9.3
99.04414	1.0
99.08094	1.5
105.07023	12.9
105.30724	1.0
107.04932	6.9
107.07903	1.6
107.08573	17.3
109.02866	1.5
109.06512	9.3
109.10142	32.9
110.69350	0.9
111.04442	3.0
111.08079	4.3
113.05983	1.4
115.05466	1.0
117.06998	8.7
117.19247	1.0
119.08564	13.4
121.06481	3.3
121.10112	9.2
123.04396	1.3
123.08067	7.9
123.11642	0.9
125.05994	2.1
125.09608	11.5
129.05492	1.2
129.06992	3.4
130.07762	1.2
131.08542	7.2
133.10112	4.0
135.08038	2.8
135.11664	12.6
137.09586	3.2
140.02821	0.9
143.08553	1.6
143.10680	2.4
145.06441	1.3
145.10109	15.8
147.08020	2.4
147.11748	1.6
149.09595	2.0
151.11165	1.2
153.12675	5.9
155.08514	2.0
155.10612	2.0
157.10083	1.0
159.11702	1.0
163.11171	24.7
165.09023	1.0
173.09586	3.6
173.11720	14.1
173.13095	1.7
177.12637	0.9
181.12206	5.5
189.11273	1.3
191.10634	5.4
193.12198	1.6
194.72237	1.0
196.49544	0.8
199.13255	6.7
209.11713	16.6
211.13388	1.2
227.12721	12.8
229.14314	41.1
264.97177	0.9
267.15918	3.8
275.19922	1.5
283.15356	100.0
284.15732	2.2
291.19666	1.2
292.19821	1.2
301.16418	12.6
311.14896	1.2
354.16479	0.9
383.22025	1.1
399.23730	12.8
407.24097	2.3
425.25366	7.4
436.47717	1.0
437.25287	35.0
438.25665	2.3
475.26239	1.3
477.29138	1.2
491.26218	2.4
493.27695	1.5
509.27429	7.7
527.28424	2.2
607.34619	23.9
608.34515	0.9
623.42377	1.1
624.43427	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	12.9
65.03926	1.7
67.05132	2.4
67.05492	42.1
68.94436	1.0
69.03413	11.7
69.06689	1.4
69.07055	26.7
71.04987	6.1
79.05480	35.3
80.18231	1.3
81.03407	68.4
81.06608	2.1
81.07043	30.9
83.04976	10.1
83.08610	24.6
85.02892	5.0
85.06506	1.7
87.04482	1.3
91.05461	31.0
92.05757	1.4
93.07024	29.8
95.04393	2.1
95.04955	27.0
95.08578	13.1
97.02868	11.8
97.06513	6.4
97.10136	14.5
98.52176	1.2
99.08102	1.3
103.05480	1.4
105.07011	26.8
105.62081	1.1
107.04948	13.5
107.08582	18.8
109.02859	1.7
109.06503	6.6
109.10151	14.8
111.04414	1.6
111.08088	6.0
115.05360	1.5
117.06995	8.5
119.04936	1.6
119.08557	22.5
121.06472	6.1
121.10114	12.5
123.08049	4.4
123.11717	2.3
125.09606	11.9
128.06206	1.7
129.05508	1.5
129.06995	9.2
131.08548	15.3
133.06462	3.8
133.10098	12.8
134.07265	1.5
135.08020	5.2
135.11674	3.3
137.09573	2.8
142.07817	1.5
143.08549	3.8
145.10139	10.3
147.08022	7.4
147.11632	8.6
149.09567	5.8
149.13219	2.9
151.11040	1.3
153.09047	1.3
155.08540	1.9
157.10077	11.5
159.08067	1.9
159.11656	3.7
161.09596	2.8
163.11143	4.7
171.11606	1.9
173.09541	1.9
173.11757	2.0
173.13159	2.0
175.11172	8.0
177.12674	2.4
181.10100	1.3
185.13297	1.7
187.11255	1.2
189.11168	4.9
193.12210	17.3
205.12143	3.1
209.11653	1.4
211.13274	1.6
219.13684	5.6
220.41011	1.2
223.13248	18.4
227.12740	8.5
229.14331	3.9
245.18750	1.3
249.14853	6.2
253.14253	2.8
255.17331	1.5
267.15863	75.5
268.16162	1.5
273.18408	9.6
275.20059	2.3
278.45056	1.1
283.15436	8.8
291.19495	83.2
292.19781	2.4
313.21396	1.8
347.22046	2.4
365.18857	2.5
365.23169	41.4
385.23648	1.9
437.25119	4.0
445.25754	6.6
459.27527	5.6
465.30093	1.9
477.28967	4.9
483.31104	2.9
527.37042	2.5
539.33807	8.0
545.04681	1.2
557.34650	100.0
558.35010	4.6
575.35516	2.4
698.23322	1.2
753.77979	1.5
816.02374	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.9
57.04613	0.5
58.10905	0.5
61.02918	0.6
65.03930	1.5
67.05487	1.7
69.03423	3.2
69.07062	0.5
71.04999	1.1
71.70803	0.8
73.02892	0.7
73.44612	0.6
79.05486	2.9
80.04987	0.5
81.03391	2.5
81.07039	1.2
82.06564	1.2
83.04984	0.7
85.02895	4.3
85.06517	0.9
89.03898	1.3
91.05469	2.4
92.04980	0.8
93.05772	0.7
93.07034	2.9
94.06562	6.2
95.04959	1.5
95.07339	2.1
95.08605	0.8
96.08122	5.8
97.02864	2.4
97.06485	1.0
99.04421	0.6
103.05489	0.6
105.07036	1.0
106.06516	1.4
107.04933	1.1
107.07299	1.6
107.08556	0.8
108.04487	2.5
108.08102	10.4
109.02856	1.4
109.10162	0.7
110.06123	0.8
110.09665	8.1
115.05445	0.6
116.04985	2.8
117.03334	0.7
117.05735	0.6
118.06551	0.9
119.04926	0.6
120.04458	4.8
120.08092	9.2
122.06004	6.5
122.09668	1.3
124.07578	6.1
127.03879	0.8
131.04970	0.8
132.04353	0.6
133.06421	0.7
134.05998	2.4
135.04395	0.6
136.07558	12.4
137.05972	0.8
138.05496	1.0
138.09123	10.1
143.08473	0.6
144.04425	5.3
145.02832	1.0
146.05984	8.7
147.04416	2.3
148.07521	5.1
150.05524	0.7
150.09142	2.1
152.07037	2.2
160.03889	4.4
162.05466	4.3
163.03880	3.3
164.07063	1.7
166.08618	18.4
167.07053	3.9
170.09639	0.7
170.49814	0.6
172.03917	26.6
172.07495	0.8
173.04303	1.3
174.05493	2.4
176.07086	4.1
177.05414	2.5
178.04994	0.7
181.04967	2.8
182.09743	0.8
184.09827	0.7
186.05528	0.9
186.09203	1.0
188.07097	1.0
190.04979	18.3
196.09804	1.2
197.07068	0.7
197.10718	2.5
198.09177	1.8
199.08926	0.9
199.12329	1.9
204.06544	45.5
205.06865	2.0
205.08601	0.8
208.07620	0.6
208.09666	0.8
209.10779	2.4
210.09161	2.0
210.11484	1.1
211.08620	3.5
211.12219	0.7
212.09459	2.3
213.10175	2.5
215.11728	1.5
221.10797	0.8
223.08585	1.3
223.12192	1.0
224.09337	1.1
225.10208	10.1
226.10893	1.5
227.11765	14.6
228.12274	0.8
229.13345	0.8
233.10591	0.5
235.08678	0.9
236.09288	2.5
237.10144	4.7
238.10960	1.8
239.08133	0.5
239.11774	4.3
241.09712	3.0
241.13423	1.6
243.11211	4.1
244.11563	2.8
248.09460	0.8
249.10262	3.2
250.11035	1.4
251.09296	0.8
251.11798	5.2
252.09016	1.2
253.09706	6.9
253.13466	0.9
254.10161	0.7
255.11258	3.6
256.11639	1.2
257.12866	1.3
261.10306	1.1
262.10989	0.9
263.08252	1.9
263.11743	3.0
264.06528	0.6
264.08878	3.1
264.12253	0.5
265.09674	3.6
266.10538	0.9
267.11185	3.0
269.09787	0.9
269.12820	16.1
270.10031	0.9
271.10760	9.8
272.10928	0.6
273.12320	4.2
277.09668	3.1
278.10291	1.0
279.11227	7.2
280.12079	1.2
281.09259	1.1
281.12875	3.0
283.10767	6.4
284.11444	6.1
285.12302	10.0
286.12848	3.0
287.13898	14.4
288.14337	0.6
289.13358	1.2
291.11218	1.7
293.09161	0.6
293.12891	0.6
294.09903	1.0
295.10739	2.7
296.11511	0.8
297.12332	10.4
299.13889	4.3
300.14667	0.8
301.07028	1.2
302.12805	0.8
303.13770	0.9
305.09180	0.8
307.10687	3.5
309.12485	2.4
311.14172	1.4
312.14932	1.6
313.12546	1.7
314.12833	2.9
315.13696	2.0
316.10815	1.1
316.14389	1.3
318.15692	0.7
319.10596	1.1
321.08804	0.7
321.12207	0.8
323.10229	8.6
323.13748	1.2
325.11819	19.5
326.12518	1.5
326.16437	1.2
327.13470	3.1
327.17200	1.0
328.10779	3.2
328.14502	3.6
329.11560	1.1
329.15112	2.5
330.12485	1.2
330.16058	2.9
331.13232	0.8
331.16794	1.6
337.11810	3.6
338.12744	0.7
339.13461	2.1
340.14444	0.8
341.11700	1.0
341.15555	0.7
342.12408	6.2
342.16147	1.5
343.12866	8.6
344.13754	1.3
344.17615	0.9
352.14438	0.8
354.12213	1.2
354.16071	1.9
355.12860	3.0
356.13824	6.1
356.17535	0.9
357.14435	23.1
358.15369	5.9
359.15738	0.9
360.17084	0.8
365.11374	1.3
366.16031	1.0
367.13116	2.3
368.13937	1.1
369.10727	0.8
369.14871	1.5
370.11615	1.4
370.15585	4.9
371.16391	1.7
372.17090	1.1
373.14645	0.7
374.18924	0.7
378.18179	1.8
380.13745	1.2
382.11823	4.5
383.12350	2.7
384.13245	4.6
385.13895	3.1
386.14822	2.3
386.19269	3.8
387.15344	0.7
388.16559	1.5
390.18353	3.5
394.15417	1.8
396.17438	0.8
397.14102	0.9
398.14920	19.7
399.15698	34.0
400.16217	4.5
401.13626	0.9
402.18115	1.6
404.15939	6.0
412.16614	2.4
414.18182	4.6
416.15985	19.8
417.16772	2.5
422.16995	2.6
428.15900	4.3
429.16449	1.1
430.17331	4.6
431.17996	1.0
440.15982	7.0
441.16479	0.9
442.18173	0.6
446.17120	10.8
447.17715	1.5
448.18390	1.4
458.17078	31.8
459.17551	2.4
460.18616	0.9
469.15668	1.0
478.19754	3.3
487.17102	7.2
488.17422	1.0
490.19708	11.8
519.19257	0.8
520.20648	4.0
522.22394	7.7
541.24255	0.8
551.22540	1.0
565.24316	1.8
567.25818	1.8
569.23938	3.8
575.22577	0.8
583.25555	2.4
593.23932	5.8
594.23926	0.7
611.24927	100.0
612.25269	10.1
620.22314	1.3
625.26868	1.2
643.27545	12.0
644.28021	1.3
650.23547	1.1
682.25653	0.7
737.27429	1.0
745.29956	1.3
755.28796	2.5
773.30127	21.8
774.30011	2.3
805.31305	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23495	1.8
65.03938	4.2
67.05477	5.9
69.03422	4.9
69.07034	2.5
71.00005	5.8
71.04963	3.3
79.05486	6.6
81.03399	7.1
81.07033	8.1
82.06539	2.5
85.02884	7.7
86.86883	2.3
89.03889	3.6
91.05468	4.4
93.07034	11.5
94.06545	15.2
95.04961	6.8
95.07332	5.6
95.08593	2.5
96.08112	18.9
97.02891	4.6
97.06513	3.8
101.36974	2.0
105.07014	4.6
106.06514	3.0
107.08577	4.6
108.04456	5.8
108.08102	29.0
109.02866	4.4
109.10148	3.9
110.09664	25.7
116.04938	5.9
119.04920	4.9
119.08548	5.1
120.04440	8.5
120.08073	18.2
120.08884	2.8
121.06470	2.0
121.08422	2.1
121.10133	4.9
122.06025	12.0
122.09560	2.1
124.07558	15.8
124.79802	1.9
127.03905	6.2
132.04378	2.4
133.10130	3.4
134.05980	9.4
136.07570	22.8
137.05968	2.4
137.09630	2.2
138.05464	2.7
138.09097	31.2
143.74033	2.1
144.04491	10.8
145.02863	2.8
145.10043	3.3
146.05968	16.1
147.04391	9.1
148.07544	10.1
152.07040	3.1
160.03909	10.8
162.05475	9.4
163.03929	11.5
164.06995	5.1
166.08624	26.7
167.07076	4.7
172.03922	41.4
172.07544	3.9
174.05481	8.1
175.14806	3.7
176.07007	5.3
178.04922	3.3
181.04918	3.0
182.09669	2.6
184.07472	2.4
184.09888	4.1
184.17496	1.9
190.04955	32.8
196.09941	2.8
197.10684	4.5
198.09244	2.0
198.11409	2.7
199.08699	2.8
199.12216	10.5
201.91521	2.0
204.06529	62.7
205.06796	3.0
211.08633	6.9
212.09340	6.7
213.10211	2.6
222.07532	2.5
224.09422	4.8
225.10204	24.9
226.10925	6.0
227.11760	68.6
228.12173	2.5
235.08582	4.1
236.09271	3.0
237.10242	10.3
238.10872	4.3
239.11702	10.3
240.12569	3.8
241.09775	2.6
241.13277	5.9
243.11319	3.0
249.10152	6.0
250.10913	1.9
251.08096	2.9
251.11798	8.6
252.08742	2.5
253.09721	15.2
253.13298	2.9
255.11201	5.6
257.12927	2.9
263.08029	8.5
264.08859	6.9
265.09564	13.4
266.10297	2.7
267.11206	9.2
269.12781	29.3
271.10699	20.8
273.12253	8.2
274.10483	2.4
277.09720	6.3
278.10547	2.8
279.11179	12.0
281.09213	3.6
283.10800	6.5
284.11346	5.1
285.12344	14.3
286.12717	4.5
287.13916	10.6
289.13132	2.9
293.09393	2.2
293.12698	2.1
295.10675	5.4
297.12259	15.8
298.13373	2.6
299.13980	14.7
302.12802	3.3
305.09048	3.9
307.10626	3.7
312.92776	2.2
313.11676	4.7
315.13806	4.6
316.10931	2.9
316.14468	6.6
323.10278	4.2
325.11816	24.9
326.12854	4.4
326.16513	3.1
327.13556	6.2
328.10800	3.5
328.14316	7.6
329.11496	3.2
329.14957	14.5
330.12405	3.7
330.15912	11.3
331.16833	7.1
339.13431	7.8
340.14365	5.5
341.11743	3.8
342.12363	14.0
342.16055	8.6
343.12860	14.0
344.13773	7.4
344.17499	4.7
345.14459	2.7
352.14148	2.6
353.15051	3.2
354.12164	4.7
354.15942	5.4
355.12976	7.0
356.13843	16.5
356.17636	3.7
357.14557	18.9
358.15384	15.7
359.15829	4.4
368.13797	4.0
369.14792	4.2
370.11475	2.7
370.15625	15.4
371.16028	8.5
372.16910	7.4
380.13831	5.3
382.11636	10.8
383.12347	8.9
384.13168	13.1
384.17609	2.9
385.14218	6.7
386.14496	9.5
386.18933	2.9
387.15555	3.4
388.16238	3.9
390.18207	3.2
394.15506	3.0
395.16068	13.3
397.14148	3.5
398.14941	62.4
399.15701	70.8
400.16348	11.8
401.16772	4.0
402.17838	3.1
404.15991	5.3
412.16443	8.1
413.16977	16.2
414.18170	4.5
416.15778	10.7
417.16089	2.5
420.19247	2.4
422.14880	4.0
428.15414	3.1
429.16901	2.5
430.17377	6.8
431.18185	19.0
432.18628	2.7
440.15869	8.1
441.16479	4.0
446.17166	3.9
447.16217	2.8
449.19199	4.2
456.18954	2.4
458.16782	18.6
459.17264	3.1
470.16620	2.4
472.18314	3.9
488.17480	2.5
490.19662	4.9
500.18002	10.4
502.19653	2.4
518.19391	3.2
520.20581	2.9
522.21930	2.6
532.20471	2.7
534.22076	4.3
548.19458	4.1
558.22089	5.5
560.20355	13.1
566.19702	3.3
572.20056	7.2
576.23004	6.1
578.21228	3.1
584.19781	6.9
590.21069	25.7
592.22534	2.9
593.23737	4.9
602.11981	3.7
602.21295	63.2
603.21399	4.9
608.22186	16.3
611.24884	27.9
612.24640	3.3
620.12518	3.9
620.22314	63.8
620.32275	4.4
621.22314	6.9
622.23590	3.4
634.23303	5.1
640.25287	3.3
643.27502	4.5
652.24866	10.2
653.25854	7.5
691.26855	3.8
693.29553	3.1
709.27612	4.4
711.30072	3.2
713.26953	3.3
719.26495	7.9
727.29266	8.3
729.30634	8.9
737.27899	18.2
755.29022	100.0
756.29279	9.8
773.29993	43.4
774.29999	5.9
787.30682	7.5
805.31952	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	805.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
64.54438	0.5
65.03936	0.8
69.03426	0.7
70.43310	2.1
71.04956	0.5
76.18079	0.5
79.05483	0.6
82.06538	1.0
85.02898	1.4
89.03936	0.6
91.05480	0.9
92.05014	0.7
92.43882	0.4
93.05768	0.7
93.07043	1.7
94.06562	4.0
95.07327	1.2
96.08119	4.3
96.44192	0.5
106.06555	1.3
107.07301	0.5
108.04456	2.4
108.08098	6.7
109.08930	0.5
110.09664	7.4
116.04967	1.9
120.04464	3.5
120.08073	6.1
122.06013	3.3
124.07565	4.7
127.03905	0.6
134.06018	2.3
136.07544	7.4
138.09114	7.6
144.04402	3.1
146.05962	3.6
148.07545	2.5
152.07048	1.7
158.09654	0.6
160.03923	2.6
162.05547	2.8
164.07097	1.8
166.08606	9.7
172.03897	14.8
172.07587	0.9
174.05548	2.1
176.07010	2.7
178.05049	0.6
182.17039	0.6
183.09097	0.8
190.04944	13.1
195.09036	0.6
197.07106	0.6
197.10730	2.0
198.09174	0.6
199.08717	0.7
199.12340	2.1
204.06528	27.9
209.10747	0.7
210.09303	0.8
210.11374	1.0
211.08670	2.4
211.12390	0.8
212.09406	1.7
213.10277	0.5
221.10640	0.6
223.08806	0.5
223.12157	0.6
224.09268	1.2
225.10178	7.6
226.10899	0.8
227.11746	13.5
227.13811	0.9
229.13412	0.6
235.08725	0.7
236.09520	1.0
237.10216	2.6
238.11021	1.7
239.11751	3.6
241.09714	1.2
241.13394	1.7
243.11267	0.9
245.12975	0.6
245.46263	0.6
249.10309	1.7
251.08107	0.8
251.11819	2.8
252.08897	1.1
253.09724	3.9
255.11346	1.6
257.12903	0.7
263.08176	0.7
264.06418	0.6
264.08850	2.5
265.09729	1.7
266.10315	0.6
267.11273	2.0
269.12790	14.8
271.10724	7.6
273.12302	3.6
277.09689	1.4
279.11319	2.8
281.12881	1.4
282.09930	0.6
283.10770	4.5
284.11469	3.8
285.12335	4.3
286.13150	1.4
287.13849	14.2
295.10849	1.4
297.12338	7.9
299.13876	4.4
302.13065	1.0
305.09222	0.7
307.10840	1.2
309.12268	1.1
312.15094	0.9
313.12503	1.6
314.12790	1.9
315.13992	1.0
316.11084	0.9
316.14490	1.6
321.12439	1.0
323.10233	5.1
324.10788	0.8
325.11783	17.1
326.12723	0.7
326.16464	0.8
327.13513	2.9
327.17151	1.0
328.10794	2.5
328.14279	1.2
329.11496	0.6
329.15054	1.9
330.12378	0.9
330.16031	1.9
331.16745	1.9
339.13797	1.2
340.14554	1.0
341.11783	1.7
342.12448	5.7
342.15817	0.7
343.12912	5.7
344.17429	0.7
352.14328	1.2
354.12354	0.7
355.13452	1.4
356.13879	5.0
357.14423	13.0
358.15402	3.8
365.11063	0.9
367.13434	0.6
368.14084	0.7
369.15305	0.8
370.11612	1.1
370.15561	4.1
371.16226	1.2
372.17160	1.4
378.17969	1.0
380.13843	0.9
382.11685	2.8
383.12274	2.6
384.13141	4.7
385.14258	2.0
386.14740	1.6
386.19141	2.4
387.15811	0.6
388.16403	0.8
390.18182	2.0
394.15414	1.0
398.14938	15.5
399.15704	24.0
400.16324	2.6
401.13431	0.7
402.18243	0.9
404.15997	5.3
412.16528	1.7
413.17230	1.1
414.18082	3.3
415.15363	0.7
416.15994	14.3
417.16446	1.2
422.16760	2.1
428.15878	3.0
430.17590	2.2
431.18198	1.7
440.15976	4.6
446.17020	9.0
448.18677	0.8
458.17065	22.9
458.23630	1.1
459.17496	1.3
476.18173	0.7
478.19452	2.3
487.16901	3.1
490.19678	8.7
551.23242	0.7
565.23718	1.0
567.25922	1.6
569.23828	3.5
583.25311	1.7
584.19965	0.7
590.21222	1.5
593.23773	4.1
602.21521	3.2
608.22089	1.5
611.24896	100.0
612.25214	5.4
620.22345	5.1
643.27484	13.1
709.29736	0.7
737.27557	1.2
755.29071	6.2
773.30042	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	805.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.0
61.02909	0.7
65.03931	1.0
67.05500	1.3
69.03423	3.1
69.07048	0.8
70.06577	0.6
70.10529	2.9
71.04975	0.9
79.05473	3.1
80.04998	1.2
81.03400	2.6
81.05786	0.7
81.07066	1.4
82.06569	1.2
82.50220	0.5
85.02885	3.9
89.03891	1.2
91.05448	2.8
92.04964	0.9
93.05766	1.0
93.07034	4.3
94.06548	6.8
95.07333	2.2
95.08614	0.9
96.08121	7.6
97.02877	2.3
97.06525	1.7
103.05486	0.9
105.06995	0.6
106.06535	1.9
107.07339	1.0
108.04460	2.9
108.08104	12.2
108.08816	0.9
109.02879	1.6
110.05988	0.6
110.09663	11.3
116.04949	3.2
118.06519	1.0
119.04924	0.8
120.04433	5.0
120.08081	9.6
121.10091	0.6
122.06012	7.1
122.09643	2.2
124.07574	9.1
127.03890	1.0
134.05951	3.1
136.07553	13.2
137.06027	0.7
138.05544	1.0
138.09123	13.9
144.04425	6.0
146.05980	8.0
147.04379	1.8
148.07526	4.9
149.09727	0.7
150.05486	0.8
150.09135	1.2
152.07060	2.7
158.06010	0.8
160.03932	4.4
160.07625	0.7
162.05460	4.8
163.03902	1.6
164.07007	3.3
166.08617	21.2
167.07068	2.4
167.08821	0.5
170.09679	0.7
172.03912	29.3
172.07539	0.9
173.04317	1.2
174.05513	3.7
176.07004	2.8
177.05440	0.9
178.04973	1.5
180.08040	0.7
181.05011	1.1
182.08253	0.8
182.09554	1.2
183.09143	0.9
184.09914	1.2
186.05478	0.8
186.09125	0.8
189.29872	0.6
190.04955	22.4
194.09679	0.7
195.09183	0.8
196.09946	0.7
197.10674	2.8
198.09308	1.5
199.08772	1.6
199.12265	2.7
200.10828	0.7
204.06534	53.7
205.06886	1.4
207.09241	1.0
209.10741	1.8
210.09386	1.3
211.08589	4.0
211.12268	1.1
212.09299	3.2
213.13887	0.6
215.11710	0.8
221.10750	1.2
223.08762	1.3
223.12396	0.6
224.09245	1.4
225.10197	11.3
226.10867	1.6
227.11745	20.1
228.12163	0.7
235.08611	1.2
236.09337	3.6
237.10265	4.3
238.07436	0.8
238.10815	3.2
239.08076	0.6
239.11722	5.7
241.09723	2.1
241.13441	1.4
243.11259	2.9
244.11598	1.0
248.09523	0.7
249.10185	2.7
250.11024	1.0
251.08105	1.4
251.11790	4.8
252.09114	1.6
252.12440	0.6
253.09744	7.8
253.13272	1.3
255.11339	3.4
257.12900	0.8
262.08521	0.8
262.11005	0.7
263.08194	3.1
263.11765	1.4
264.08926	3.9
265.09619	3.6
266.10382	1.4
267.08447	0.8
267.11194	4.3
268.12009	0.7
269.09879	0.6
269.12808	18.3
270.10059	0.6
271.10730	10.4
273.09689	0.9
273.12326	5.6
277.09573	3.5
278.10468	1.1
279.11230	6.5
280.12079	0.9
281.09674	0.7
281.12933	2.3
282.09805	0.8
283.10724	7.0
284.11459	5.6
285.12308	9.0
286.12933	3.0
287.13861	15.8
291.11130	1.3
292.12134	0.6
293.09219	0.9
294.09885	1.0
295.10834	2.5
297.12305	11.1
298.13293	0.8
299.13910	5.9
300.11356	1.0
305.08954	1.1
307.10773	3.0
309.12399	2.0
311.10541	0.8
311.14377	1.6
312.11700	0.8
312.15048	1.7
313.12384	2.6
314.12949	2.2
315.13776	1.9
316.11096	1.0
316.14490	2.3
317.15195	1.3
319.10678	1.0
321.12311	1.2
323.10269	7.3
323.13763	1.0
325.11743	23.3
326.12680	1.8
326.16525	1.4
327.13535	4.0
327.17139	1.1
328.11462	3.2
328.14001	3.3
329.11575	1.1
329.15109	2.7
330.12646	0.9
330.15765	3.1
331.16806	1.7
334.09293	0.7
337.11609	1.5
339.13629	2.3
340.10638	0.9
340.14481	1.2
341.11703	2.5
341.15399	1.0
342.12238	7.7
342.15997	1.1
343.12958	9.7
343.16357	0.5
344.13953	1.8
344.17712	0.9
345.14615	0.7
346.15637	0.7
352.14526	1.3
353.12488	0.8
354.12515	1.8
354.16043	1.6
355.13083	2.8
355.17358	0.8
356.13889	7.3
356.17682	0.8
357.14435	19.4
358.15396	6.2
365.11456	1.3
366.16025	1.0
367.13400	2.2
368.14008	0.9
369.15176	1.1
370.11649	1.3
370.15601	6.7
371.16138	2.1
372.17014	1.7
378.18161	1.8
380.13892	1.7
382.11621	4.8
383.12506	3.1
384.13071	4.8
384.16797	0.9
385.14108	2.6
386.14346	2.8
386.19159	2.7
388.16611	1.5
390.18094	4.3
394.15488	1.7
395.15509	0.8
397.14682	2.7
398.09689	0.9
398.14960	22.7
399.15726	35.3
400.16370	4.7
401.13327	0.7
402.18225	1.6
404.15842	6.0
407.12512	0.6
412.16379	2.9
413.16901	1.8
414.18100	5.5
416.15979	19.2
417.16138	1.6
422.17432	2.6
428.15674	4.8
429.15823	0.7
430.17471	3.8
431.18057	2.2
432.18991	0.9
440.16019	8.6
441.14764	1.8
446.17004	13.4
446.22684	0.9
447.17642	1.6
448.18484	1.4
449.18759	0.9
458.17044	34.2
459.17511	1.9
460.18777	0.9
469.15430	0.6
478.19601	2.9
487.17099	8.3
488.18289	0.9
490.19614	11.1
491.20667	0.8
519.19861	0.9
520.20245	1.3
522.22369	1.2
523.23267	0.9
537.20715	0.6
551.22803	1.6
565.24420	1.6
567.26001	1.6
569.23627	4.6
575.22919	0.7
576.23285	0.7
583.25513	2.3
584.20001	0.9
590.21423	1.5
593.23914	8.1
594.23383	1.0
602.21234	3.7
608.21979	2.0
611.24908	100.0
612.25214	6.1
620.22357	8.0
626.24902	2.0
643.27533	9.3
650.23230	1.2
652.24792	0.6
682.25989	0.8
701.25238	0.6
719.26917	1.5
727.29694	0.8
729.30615	0.7
731.29504	0.7
737.27728	2.4
745.30219	1.1
755.28986	6.8
773.30115	18.0
774.30554	1.3
787.30774	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	18.4
57.07054	3.8
61.02907	7.6
65.03928	3.7
67.05493	100.0
69.03403	12.4
69.07055	34.1
71.04986	6.7
73.02898	3.1
79.05026	3.4
79.05479	65.3
81.03403	27.2
81.07043	90.3
82.07376	4.8
83.04980	12.2
83.08614	22.9
85.02885	9.9
85.06547	4.4
91.05464	77.4
92.05804	4.5
93.07027	68.2
93.07587	5.2
94.07356	4.2
95.04951	28.4
95.08592	57.0
97.02858	6.8
97.06508	13.2
97.10124	14.2
99.08062	4.8
105.07017	71.3
105.13469	2.6
106.07327	2.8
107.04927	12.3
107.08580	49.6
109.06493	16.1
109.10131	36.2
110.06841	2.7
111.04491	3.3
111.08089	6.7
115.05430	2.5
117.07010	30.8
119.08562	48.9
121.06470	4.7
121.10126	33.5
123.04362	2.8
123.08053	9.8
123.11685	8.9
125.09616	7.4
127.03928	2.9
127.07516	2.5
128.06265	3.9
129.06972	17.3
130.07719	3.2
131.08540	46.3
133.06471	2.8
133.10109	45.6
134.10425	4.6
135.08028	12.4
135.11636	15.0
137.09595	8.3
139.07533	2.7
140.90314	2.4
141.06958	8.3
143.08545	24.7
145.06517	4.6
145.10127	32.0
147.08005	7.4
147.11659	30.2
149.06065	2.8
149.09608	8.1
149.13243	9.8
151.11101	5.4
155.08553	10.1
156.09383	3.8
157.10106	22.4
159.08018	3.5
159.11674	28.5
161.09665	4.6
161.13240	18.7
163.11177	9.3
163.14854	3.5
167.07124	2.3
167.08546	5.6
169.10130	13.1
171.10428	2.8
171.11644	17.1
173.09514	4.1
173.11803	4.5
173.13249	16.0
175.11136	6.7
175.14830	7.9
177.12616	2.5
181.10139	7.9
183.11594	11.7
185.13170	12.0
187.14793	9.1
189.11223	3.4
193.10190	3.0
193.12143	4.4
195.11703	11.0
197.13268	9.8
199.11194	3.2
199.14833	8.8
201.12662	5.1
209.13269	6.9
211.14853	3.8
213.16206	2.4
223.14850	3.9
225.16496	3.1
227.12801	3.7
229.14301	8.5
239.17908	6.1
241.19499	9.8
247.20464	3.3
253.14285	7.3
254.14632	4.6
257.18884	7.9
258.19482	3.2
259.20636	16.8
267.15796	15.2
268.16135	3.5
273.18481	8.9
275.19946	34.3
276.20544	2.9
277.21646	3.6
283.15384	5.1
283.20273	2.9
284.15747	4.7
291.19519	8.1
292.19904	3.9
313.21527	3.5
331.22925	3.6
333.24167	18.4
335.25958	3.4
347.22040	5.3
349.23987	14.5
365.23157	3.0
367.24921	12.9
464.27191	5.2
497.36069	3.7
513.35486	10.1
515.37488	22.0
527.37061	7.3
533.39606	4.8
543.36835	4.5
551.40656	4.5
555.36243	2.6
557.34882	3.3
558.34729	8.8
607.43475	30.6
608.43726	4.9
625.44458	46.1
643.45636	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02129	0.5
57.03424	3.5
57.07061	3.4
59.04977	1.5
61.02925	0.8
65.03936	1.0
67.05489	16.1
69.03043	0.7
69.03416	12.6
69.07050	4.7
70.06573	0.7
71.04978	10.2
71.69991	0.8
79.05473	6.5
81.03411	7.8
81.07041	100.0
82.07383	1.2
83.04963	0.9
83.08604	2.9
85.02888	12.5
85.06532	6.1
85.19410	0.6
87.04446	4.7
89.06030	2.7
89.06528	0.6
91.05489	3.3
93.07030	10.6
95.04959	5.5
95.08588	20.2
97.02877	9.4
97.10153	10.6
99.04433	2.3
99.08080	2.0
104.07065	0.9
105.07010	2.5
107.04967	1.1
107.08565	4.6
108.08121	0.7
109.02856	10.1
109.06512	3.3
109.10121	3.6
111.04414	1.7
111.08061	4.0
113.05999	1.2
115.03883	2.7
119.04939	3.8
119.08578	1.0
121.10146	3.4
123.04340	0.8
123.08076	1.4
123.11684	86.3
124.12024	1.6
127.03888	13.6
131.08569	0.8
133.04941	2.1
133.10097	5.2
135.13559	0.6
136.07562	2.5
137.05898	0.7
138.09126	0.9
139.11157	1.1
141.12718	2.6
145.02859	1.2
145.04895	1.6
147.04384	22.5
148.04774	0.8
149.09683	0.7
151.11142	13.6
163.03873	2.7
163.07521	0.6
164.07045	3.4
165.07353	0.8
166.08598	0.7
167.07039	1.3
169.12213	37.7
170.12515	0.7
172.03870	2.1
177.05424	2.0
178.68082	0.6
182.08176	0.7
187.13264	54.7
188.13692	0.6
190.04950	0.7
200.61696	0.6
204.06516	2.6
205.06888	1.1
205.74707	0.6
229.14375	4.3
231.13808	1.1
249.14853	2.2
256.02591	0.6
271.15222	0.8
277.14331	6.5
295.15359	24.4
313.16409	11.0
325.11661	0.7
326.12094	0.9
331.17450	97.0
332.17743	2.2
358.14883	0.7
541.24341	0.6
774.29828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53245	0.9
57.03429	28.2
57.07073	2.7
58.53243	0.9
59.05004	5.7
61.02922	4.9
65.03921	3.6
67.05497	100.0
68.05836	1.2
69.03414	8.5
69.07059	19.4
69.48984	1.0
69.98646	1.8
69.99059	4.9
71.01335	2.6
71.04977	9.4
73.02905	4.6
79.05486	47.3
80.05801	1.5
81.03407	83.0
81.07045	61.6
82.07390	1.4
83.01362	1.6
83.04500	2.1
83.04969	27.8
83.08608	34.8
85.02893	40.2
85.06542	5.3
86.09707	1.4
87.04456	4.7
91.03944	1.4
91.05470	57.5
93.07035	31.6
94.07364	1.4
95.04955	37.2
95.08593	24.4
97.02883	8.4
97.06514	11.7
97.10149	18.2
98.10478	1.0
98.21350	1.7
98.47412	1.0
99.04419	0.9
99.08083	2.3
100.06983	1.0
105.07015	31.5
107.04943	15.4
107.08581	18.5
107.52878	0.9
109.06499	8.7
109.10143	65.2
111.04428	5.0
111.08070	13.7
113.05994	3.2
115.05467	2.0
117.07012	7.3
119.04919	1.4
119.08570	28.2
121.06494	4.4
121.10131	14.5
123.08089	6.0
123.11716	3.0
125.05968	1.6
125.09611	13.8
129.05461	4.4
129.06981	15.6
130.07733	1.0
131.08557	19.3
133.06487	3.8
133.10104	17.1
135.08017	2.3
135.11655	5.2
137.09602	6.3
142.07799	3.1
143.08565	1.4
143.10677	2.3
145.10107	4.9
147.08044	4.9
147.11664	16.9
149.09581	8.0
151.11150	1.6
153.11319	1.0
153.12724	3.4
155.10638	3.4
157.10107	18.1
157.11255	1.9
163.11166	11.7
164.11548	1.1
165.12759	4.1
165.54669	1.1
171.11589	1.3
173.09607	2.1
173.11729	20.0
173.13094	0.7
175.11159	17.5
181.12224	3.7
184.07242	1.6
189.11127	1.2
191.10701	3.9
193.12216	66.1
194.12502	1.5
199.13313	8.8
209.11641	6.6
211.13271	95.1
212.13678	1.7
217.14412	1.6
227.12756	7.5
229.14313	61.2
253.14243	1.8
257.13779	1.9
265.14413	2.6
267.15894	30.5
268.16443	1.1
283.15308	8.0
285.16925	64.9
301.16422	13.8
324.65521	1.1
362.79050	1.1
391.24527	1.3
399.23712	26.5
409.25687	5.1
413.26453	1.1
421.25790	16.5
427.26886	3.1
439.26865	48.4
440.26801	1.6
459.27557	1.6
475.26675	1.9
476.27328	1.3
477.28204	1.7
493.27893	4.1
511.28897	8.7
529.29926	2.3
557.34735	1.5
581.12103	1.2
591.35071	2.5
609.36285	39.7
610.36090	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	24.8
57.07053	2.0
59.04992	5.3
59.26928	1.1
61.02911	5.7
65.03931	3.4
67.05493	100.0
68.05817	1.4
69.03416	10.5
69.07060	16.7
70.05790	5.2
71.01328	1.6
71.04984	10.2
73.02898	3.4
76.06741	0.9
79.05482	53.5
81.03406	83.6
81.07043	58.7
83.01316	1.4
83.04965	26.6
83.08604	34.0
85.02893	36.3
85.06532	6.0
86.09679	1.1
87.04464	5.2
91.03957	2.4
91.05466	57.2
93.07027	32.8
95.04951	35.1
95.08586	23.6
97.02856	8.1
97.06512	9.0
97.10146	17.2
99.04438	1.9
99.08086	2.5
103.03957	1.6
105.07015	34.4
107.04942	13.7
107.08574	19.9
109.02857	1.4
109.06504	7.8
109.10139	64.7
110.10471	1.5
111.04420	4.4
111.08061	14.1
113.04810	1.2
113.05969	3.7
115.05439	3.2
116.04676	1.1
117.06981	6.9
119.08569	30.6
121.06474	3.3
121.10124	13.3
123.08071	6.5
123.11665	1.9
125.05963	1.5
125.09602	15.5
129.05458	4.5
129.06973	16.1
131.04965	1.3
131.08543	18.4
133.06476	4.9
133.10112	16.0
135.08037	3.2
135.11626	5.9
137.09607	4.7
139.56636	1.2
142.07759	4.7
143.10686	2.6
145.10114	8.4
147.07993	5.9
147.11656	20.2
149.09621	9.0
151.07573	1.2
151.11201	1.5
153.12718	3.6
155.10677	2.9
157.08817	2.3
157.10088	16.9
159.11697	1.3
163.11147	11.9
165.12714	3.2
173.09546	1.8
173.10262	1.7
173.11713	19.8
175.11159	18.0
181.12213	4.2
184.07338	2.2
189.11290	1.4
191.10725	2.6
193.12210	63.7
199.13220	7.9
209.11710	7.0
211.13257	87.1
212.13654	1.4
227.12769	8.8
229.14323	59.5
249.14629	1.4
265.14316	1.3
267.15881	29.3
268.16135	1.2
283.15363	6.4
285.16919	56.3
301.16431	11.8
399.23718	23.5
409.25708	4.2
421.25742	15.6
427.26712	3.3
434.71109	1.1
439.26840	42.6
440.27393	1.7
475.26743	2.3
477.28317	1.7
493.27768	5.2
511.28983	9.4
529.29852	1.9
591.34644	1.3
609.36230	36.5
610.36493	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	24.6
57.07055	5.2
59.04986	8.0
59.97770	2.0
61.02910	5.7
65.03928	3.4
67.05493	100.0
68.05815	4.3
69.03420	10.1
69.07053	34.8
69.50477	1.6
69.63828	16.8
71.04991	12.1
71.08612	2.4
73.33016	1.7
77.36021	1.6
79.05480	81.3
80.05830	3.0
81.03402	81.2
81.07042	88.4
82.03757	2.3
82.07356	3.2
83.04963	16.2
83.08608	28.8
85.02879	7.5
85.06532	5.4
86.25911	1.8
87.04440	8.8
91.05462	89.3
91.06036	4.3
92.05795	4.5
93.07025	69.5
94.07345	2.3
95.04949	39.3
95.08588	43.8
96.08905	3.9
97.02876	10.2
97.06520	15.2
97.10159	16.3
98.21661	1.7
98.87689	1.7
99.08074	3.0
101.19640	1.8
103.05458	2.7
105.04478	1.5
105.07014	68.7
105.07724	3.8
106.07343	2.6
107.04947	14.4
107.08573	40.8
108.05212	1.7
109.02885	2.2
109.06483	14.9
109.10133	39.7
111.04464	2.2
111.08057	10.4
113.09605	1.7
115.05429	4.7
117.05558	1.8
117.06989	30.0
119.08555	55.2
120.08865	4.1
121.06461	6.9
121.10133	24.8
122.10462	1.8
123.08051	9.3
123.11694	6.6
125.09589	13.0
127.03916	2.4
128.06198	5.8
129.06975	20.7
131.08540	38.8
132.08879	2.1
133.06447	5.6
133.10107	40.6
134.10431	2.4
135.08032	7.3
135.11650	14.7
137.09622	8.8
141.06993	6.0
142.07738	5.6
143.08527	16.5
144.09219	1.9
145.06479	4.3
145.10092	25.1
146.10460	3.1
147.08038	9.4
147.11664	25.4
149.09628	10.2
149.13234	9.2
151.11174	4.6
153.09023	3.1
155.08522	8.8
156.09158	2.4
157.10088	21.0
159.08003	3.0
159.11655	20.9
161.09584	3.9
161.13202	10.3
163.11179	9.8
165.12749	2.7
169.10135	10.6
171.11678	10.3
172.12138	2.2
173.09680	3.3
173.11696	6.1
173.13248	8.6
175.11125	12.4
175.14821	3.4
176.11334	1.7
177.12746	5.7
179.14256	2.5
181.10046	3.0
183.11688	5.5
184.07289	3.0
185.13216	9.8
186.13574	2.9
187.11111	3.1
187.14801	3.5
189.11198	7.0
191.10703	2.5
193.12204	19.5
195.11725	4.8
197.13239	5.1
199.14896	3.1
201.12695	2.7
209.13232	4.8
211.13235	6.9
211.14978	2.7
215.14320	2.7
223.14899	2.5
227.12773	9.2
229.14264	16.1
239.17795	2.6
241.19556	6.9
257.19180	4.8
259.20557	11.8
260.20984	2.1
267.15860	43.1
268.16168	2.3
269.17441	8.6
271.20670	2.1
273.18500	2.7
275.20001	9.4
284.15738	2.5
285.16919	3.5
285.22189	2.2
287.19937	2.6
293.21057	7.3
313.21835	2.9
315.22919	2.4
329.21323	2.1
333.24307	11.9
334.24319	2.7
349.23761	6.9
351.23413	2.8
367.24805	3.1
368.25046	2.2
369.24146	4.3
387.25549	2.9
421.25778	6.4
433.30750	3.8
439.27017	2.8
443.27692	2.4
451.32150	4.5
461.28864	17.9
504.34335	2.1
525.35760	14.3
528.37408	2.3
541.35272	9.1
543.36761	29.4
557.38092	3.7
559.35718	7.2
575.39429	4.1
608.43427	5.3
609.37134	2.2
626.44751	11.0
644.45129	3.7
734.47192	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	806.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	24.6
57.07055	5.2
59.04986	8.0
59.97770	2.0
61.02910	5.7
65.03928	3.4
67.05493	100.0
68.05815	4.3
69.03420	10.1
69.07053	34.8
69.50477	1.6
69.63828	16.8
71.04991	12.1
71.08612	2.4
73.33016	1.7
77.36021	1.6
79.05480	81.3
80.05830	3.0
81.03402	81.2
81.07042	88.4
82.03757	2.3
82.07356	3.2
83.04963	16.2
83.08608	28.8
85.02879	7.5
85.06532	5.4
86.25911	1.8
87.04440	8.8
91.05462	89.3
91.06036	4.3
92.05795	4.5
93.07025	69.5
94.07345	2.3
95.04949	39.3
95.08588	43.8
96.08905	3.9
97.02876	10.2
97.06520	15.2
97.10159	16.3
98.21661	1.7
98.87689	1.7
99.08074	3.0
101.19640	1.8
103.05458	2.7
105.04478	1.5
105.07014	68.7
105.07724	3.8
106.07343	2.6
107.04947	14.4
107.08573	40.8
108.05212	1.7
109.02885	2.2
109.06483	14.9
109.10133	39.7
111.04464	2.2
111.08057	10.4
113.09605	1.7
115.05429	4.7
117.05558	1.8
117.06989	30.0
119.08555	55.2
120.08865	4.1
121.06461	6.9
121.10133	24.8
122.10462	1.8
123.08051	9.3
123.11694	6.6
125.09589	13.0
127.03916	2.4
128.06198	5.8
129.06975	20.7
131.08540	38.8
132.08879	2.1
133.06447	5.6
133.10107	40.6
134.10431	2.4
135.08032	7.3
135.11650	14.7
137.09622	8.8
141.06993	6.0
142.07738	5.6
143.08527	16.5
144.09219	1.9
145.06479	4.3
145.10092	25.1
146.10460	3.1
147.08038	9.4
147.11664	25.4
149.09628	10.2
149.13234	9.2
151.11174	4.6
153.09023	3.1
155.08522	8.8
156.09158	2.4
157.10088	21.0
159.08003	3.0
159.11655	20.9
161.09584	3.9
161.13202	10.3
163.11179	9.8
165.12749	2.7
169.10135	10.6
171.11678	10.3
172.12138	2.2
173.09680	3.3
173.11696	6.1
173.13248	8.6
175.11125	12.4
175.14821	3.4
176.11334	1.7
177.12746	5.7
179.14256	2.5
181.10046	3.0
183.11688	5.5
184.07289	3.0
185.13216	9.8
186.13574	2.9
187.11111	3.1
187.14801	3.5
189.11198	7.0
191.10703	2.5
193.12204	19.5
195.11725	4.8
197.13239	5.1
199.14896	3.1
201.12695	2.7
209.13232	4.8
211.13235	6.9
211.14978	2.7
215.14320	2.7
223.14899	2.5
227.12773	9.2
229.14264	16.1
239.17795	2.6
241.19556	6.9
257.19180	4.8
259.20557	11.8
260.20984	2.1
267.15860	43.1
268.16168	2.3
269.17441	8.6
271.20670	2.1
273.18500	2.7
275.20001	9.4
284.15738	2.5
285.16919	3.5
285.22189	2.2
287.19937	2.6
293.21057	7.3
313.21835	2.9
315.22919	2.4
329.21323	2.1
333.24307	11.9
334.24319	2.7
349.23761	6.9
351.23413	2.8
367.24805	3.1
368.25046	2.2
369.24146	4.3
387.25549	2.9
421.25778	6.4
433.30750	3.8
439.27017	2.8
443.27692	2.4
451.32150	4.5
461.28864	17.9
504.34335	2.1
525.35760	14.3
528.37408	2.3
541.35272	9.1
543.36761	29.4
557.38092	3.7
559.35718	7.2
575.39429	4.1
608.43427	5.3
609.37134	2.2
626.44751	11.0
644.45129	3.7
734.47192	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	806.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03203	1.8
57.03431	24.0
59.04982	1.9
61.02883	1.8
65.03912	3.9
67.05138	3.5
67.05492	64.7
69.03417	11.0
69.07056	29.4
71.04985	8.3
71.07138	4.8
73.02892	2.4
77.03896	1.6
79.05022	2.8
79.05480	60.7
81.03403	100.0
81.07039	76.3
83.04967	14.2
83.08599	30.8
85.02898	8.0
85.06524	5.9
86.09707	1.8
91.05461	64.1
93.07027	50.7
93.27103	1.7
95.04955	39.9
95.08585	29.9
97.02865	6.1
97.06514	15.0
97.10143	16.6
99.04410	2.5
99.08054	3.0
103.05451	2.2
105.07007	50.6
107.04939	17.1
107.08569	39.0
109.02867	2.2
109.06486	11.7
109.10134	18.8
111.04428	2.0
111.08044	13.4
114.03935	1.5
115.05428	4.5
117.07000	19.0
119.07726	2.8
119.08564	38.5
121.06487	10.1
121.10117	19.5
123.04400	2.2
123.08035	6.7
123.11671	3.3
125.09610	18.3
127.03870	2.3
128.06183	2.4
128.58356	1.6
129.05475	1.9
129.06960	21.7
131.08556	27.6
133.06441	5.4
133.10106	22.9
135.08012	7.2
135.11691	15.8
137.09592	5.8
141.06987	3.3
142.07741	4.0
143.08568	8.5
145.06442	4.0
145.10097	14.2
147.08026	7.7
147.11658	18.5
149.09547	16.0
149.13249	8.3
151.11069	2.0
153.09102	3.1
155.08508	5.3
157.06506	2.1
157.10089	16.5
159.08000	2.1
159.11639	10.5
161.09593	3.9
161.13249	3.9
163.11150	11.2
165.09169	1.9
165.12758	3.0
169.10080	4.3
171.08020	2.0
171.11656	6.3
173.04359	2.0
173.09599	4.2
173.11864	2.0
173.13269	6.1
175.11150	10.4
177.12704	2.6
181.10257	2.2
181.12141	2.1
183.11642	3.7
184.07382	2.4
185.13315	3.0
187.11180	2.0
189.11197	10.2
193.12193	25.1
195.13751	4.2
197.13193	3.0
199.14784	3.1
201.12810	1.9
205.12105	2.7
211.13188	3.7
223.13135	1.6
227.12723	16.8
229.14297	4.7
243.82074	1.6
245.13625	2.0
249.14833	2.9
255.15817	10.1
257.18985	6.0
267.15866	88.6
268.16122	1.9
269.17349	16.4
273.18549	1.9
275.19995	22.2
287.16418	1.8
291.19534	2.0
293.21201	2.1
297.21915	2.0
301.14291	2.3
315.23343	2.5
317.20911	1.8
331.22595	1.8
349.23608	22.0
351.23074	2.8
355.22568	3.0
367.24579	4.4
369.24130	5.2
373.23499	2.2
403.24652	2.2
412.48337	1.8
421.25668	5.5
435.27271	2.2
437.25116	5.1
443.27997	8.2
447.27301	26.3
449.30322	3.6
459.27115	4.4
461.28937	74.9
462.29230	2.9
467.31155	3.3
477.28192	2.4
482.99594	2.0
485.32916	2.3
493.31335	9.3
523.34387	2.3
541.35144	58.3
542.35626	4.4
559.36353	22.3
582.91321	2.0
591.38702	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	807.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	7.6
57.03425	2.4
61.02924	2.0
67.05493	3.3
69.03419	12.0
71.04984	3.4
73.02904	3.1
79.05493	11.1
81.03408	12.8
81.07050	7.2
83.04968	2.9
84.96032	2.9
85.02893	17.8
86.51969	1.1
87.04477	1.8
91.03938	1.3
91.05472	9.1
93.06988	1.3
95.04948	13.1
97.02882	10.8
97.06467	1.5
98.92195	1.2
98.97555	12.4
99.04478	1.4
101.00861	4.9
105.00362	1.6
105.07043	1.6
107.04939	9.6
109.02876	3.9
109.06482	3.9
111.04438	7.3
116.98598	8.2
119.01906	23.5
119.04946	6.0
121.06519	1.4
123.04413	18.4
127.03898	4.1
128.98615	4.3
131.01868	10.0
131.04900	2.8
134.99641	4.9
135.04399	6.3
137.02917	6.2
137.05960	2.8
143.00174	1.8
143.01855	24.7
145.03462	6.9
145.04971	2.6
146.99614	3.1
147.01393	1.3
147.04373	7.3
149.02957	2.1
149.05971	2.6
152.05722	1.3
153.03899	1.5
155.01808	7.3
156.02660	1.8
157.03459	7.8
158.99654	4.9
161.02939	77.0
162.03133	1.7
163.03839	1.3
163.72325	1.2
165.04192	1.3
165.05505	3.9
167.06975	2.0
169.03462	5.0
169.04857	1.1
171.05046	2.4
173.02921	16.0
175.02541	1.4
175.04514	5.9
177.00703	5.4
179.03938	2.5
181.03458	3.3
182.94594	1.2
183.05045	9.4
183.06534	4.3
184.04472	3.9
185.01445	1.6
185.02826	6.6
185.06709	1.4
187.04538	3.9
189.00612	1.8
191.03972	1.6
193.03456	7.6
195.05006	3.6
197.01273	2.4
197.02954	6.6
199.02843	1.6
199.04500	5.9
201.06018	2.9
203.02185	1.0
203.03984	30.0
205.03502	3.6
207.05035	5.7
209.03000	3.1
211.04503	13.6
213.00629	1.9
213.05992	1.5
215.04028	1.6
217.03514	4.1
219.01604	6.6
219.05000	1.7
221.03098	1.7
221.04973	27.5
223.02742	2.7
223.04558	12.3
225.06018	4.1
227.04068	1.6
229.05579	1.7
231.03494	2.0
235.04515	22.5
237.02776	7.5
237.06134	5.3
239.04089	2.5
241.05600	5.4
245.03084	1.4
245.05106	9.7
247.04459	8.9
249.06207	2.4
253.05579	8.6
255.07115	1.6
257.05090	8.4
259.06790	1.6
261.06061	1.7
263.06158	7.8
265.05524	13.9
266.05798	1.3
271.04230	1.2
271.06656	10.2
273.08215	2.8
277.05515	2.4
279.03922	2.1
283.06653	9.4
287.05948	1.5
295.06522	1.8
299.06375	1.7
301.07809	1.7
305.07922	1.6
307.06570	4.1
309.08090	5.4
311.06165	1.6
323.05975	3.0
325.07678	9.1
328.92404	1.5
337.07571	6.2
347.08163	2.6
349.07648	2.7
355.08817	6.7
357.32574	1.5
364.10150	1.7
367.08786	5.4
372.09021	3.4
373.09781	2.8
385.09671	7.2
403.10800	9.1
415.10852	10.5
425.00836	1.5
426.06116	1.5
427.10883	6.4
445.11990	100.0
445.61926	4.2
446.07315	4.5
446.12579	2.3
461.09827	1.7
463.12222	1.4
507.13315	5.0
519.13586	4.6
519.23413	1.4
525.14569	1.7
699.19574	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	808.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	4.3
59.04983	0.6
60.04508	0.4
61.02916	0.9
62.56290	0.3
65.03929	0.6
67.05492	2.0
69.03420	20.6
70.06579	0.5
70.40524	0.3
71.01330	0.5
71.04974	2.0
73.02908	1.1
73.70241	0.4
74.33190	0.3
75.04465	2.7
77.03921	0.8
79.05481	18.1
80.22746	0.3
81.03407	14.5
81.07043	4.6
83.04971	1.7
83.72404	0.3
85.02892	11.7
87.04456	4.7
91.05466	16.1
93.07029	81.2
94.07385	1.5
95.04957	7.0
95.08595	3.2
97.00765	0.3
97.02876	15.8
97.06499	0.6
97.85217	0.3
99.04436	2.7
103.03906	0.6
103.05440	1.1
105.04504	0.9
105.07012	10.5
107.04945	1.3
107.08577	16.4
108.08964	0.3
109.02863	6.5
109.06491	1.4
109.10130	0.5
111.04443	1.7
111.08047	2.2
115.03898	4.5
115.05391	0.4
116.06220	1.0
117.06995	1.3
119.08565	12.0
120.08877	0.4
121.06544	3.0
121.10125	100.0
122.10436	1.8
123.04390	0.6
123.08035	2.3
123.11661	1.2
125.05966	0.8
127.03902	7.3
128.04156	0.4
129.05484	0.7
129.06993	1.1
131.08543	9.9
133.04951	3.7
133.06487	0.6
133.07588	0.7
133.10114	1.2
135.04404	0.5
135.08006	0.6
135.11713	0.5
137.05902	1.5
137.09613	0.5
139.11150	3.8
143.08537	0.7
145.04919	3.6
145.10112	1.3
147.04378	0.7
147.06859	0.3
147.08035	1.4
149.09595	42.4
150.07616	0.6
150.09958	1.0
151.03883	2.5
151.11215	0.6
157.10042	0.4
159.11659	0.4
161.09641	0.8
163.03880	2.1
163.07498	0.6
163.11160	1.0
165.09074	0.6
167.10657	27.7
169.04924	0.8
173.09605	0.4
177.05492	0.4
181.04959	0.4
187.11113	0.6
189.09068	0.7
191.10687	1.9
199.11154	0.6
201.09114	0.4
205.12143	0.5
207.10141	0.6
209.11638	0.4
209.15321	0.5
213.07623	0.4
215.10669	0.6
217.12212	0.9
225.11140	0.7
227.10355	0.5
229.12257	0.8
233.11670	0.9
237.11070	0.4
241.07158	0.5
245.11729	0.5
247.13219	1.3
257.11743	0.6
263.12885	0.5
265.14285	0.8
275.12738	1.9
281.13806	1.3
283.15347	2.0
293.13803	13.2
294.14188	0.8
299.12543	1.6
311.14832	40.7
312.15225	1.4
317.13568	0.5
329.16016	0.4
357.63110	0.3
389.15726	0.4
392.08545	0.3
407.16693	1.0
425.17914	1.0
437.18005	0.8
443.18652	0.9
455.18982	0.5
473.20078	0.6
563.82031	0.3
598.96204	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	16.2
67.05493	61.5
68.27467	10.8
69.07064	24.4
69.43957	28.1
69.44363	100.0
79.05485	77.3
81.07034	70.1
83.67261	13.1
91.05481	59.6
93.07048	70.2
95.08592	35.8
98.20659	21.6
105.07008	51.4
107.08569	32.3
116.11594	13.5
117.06999	19.4
119.08544	48.1
121.10107	25.5
123.08131	10.4
126.78310	10.5
129.06984	13.3
131.08580	29.4
133.10083	28.5
135.11667	21.8
145.10207	13.1
147.11604	29.9
147.44650	11.5
159.11729	14.6
161.13206	15.6
164.57019	11.8
169.23840	10.7
173.13287	14.8
199.12073	12.2
201.10701	13.1
230.37637	13.2
241.19392	12.4
246.90588	12.0
259.20587	45.1
283.60513	11.9
333.24265	39.7
335.25787	67.4
611.46002	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30570	0.1
58.06625	0.5
59.07371	0.1
60.08153	6.0
67.05498	0.2
69.57102	0.8
70.06599	0.1
70.73589	0.1
71.07359	3.8
71.07752	0.2
79.05470	0.2
80.97414	0.1
81.07047	0.2
86.09691	30.0
87.10030	0.4
89.06001	0.1
91.05476	0.3
95.04954	0.1
95.08579	0.2
98.98450	3.3
104.10738	2.0
105.07031	0.2
124.99981	20.9
128.85190	0.1
131.08511	0.1
134.87961	0.1
143.01024	0.4
147.11690	0.2
166.02621	0.2
184.07310	100.0
185.07678	0.8
462.88712	0.1
516.30414	0.2
575.60657	0.1
585.65027	0.1
739.16180	0.1
774.37189	0.2
774.50482	3.6
775.50574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	7.4
61.02912	6.9
63.70869	1.6
65.03913	2.0
67.05492	24.9
68.21822	1.6
69.03421	11.3
69.07065	8.3
71.01362	1.3
71.04977	3.5
71.32755	3.0
72.74348	1.4
73.02036	1.3
73.02901	4.1
74.90072	1.3
79.05482	38.2
81.03411	20.5
81.07044	26.2
81.07487	2.4
83.04961	9.2
83.08625	3.8
85.02904	12.8
91.03952	3.8
91.05473	34.2
93.07031	32.6
95.04960	12.6
95.08601	15.1
97.02873	9.2
97.06529	3.4
97.10160	2.8
99.04460	3.1
101.02362	2.5
103.05461	2.0
105.07012	27.7
107.04961	7.7
107.08571	11.2
109.02899	4.1
109.06496	3.9
109.10166	2.3
111.08036	1.6
115.05513	2.3
117.07012	7.6
118.47182	1.4
119.08584	16.5
121.06506	2.8
121.10142	5.3
123.08069	2.3
127.03925	4.3
128.06210	4.2
129.06992	13.7
131.08565	10.4
133.06503	2.4
133.10132	7.9
135.08102	2.5
135.11748	2.7
137.09630	1.9
141.07024	2.7
143.08473	6.7
145.06520	4.2
145.10117	8.9
147.08080	3.0
147.11678	15.8
149.09676	2.1
155.08691	1.9
157.10161	4.0
159.08043	1.9
159.11775	1.8
161.09691	2.2
161.13260	5.8
163.11258	1.7
167.08611	1.6
169.10146	2.1
171.08061	2.5
171.11668	14.1
173.04466	5.5
175.11247	1.7
183.11710	1.8
184.07358	2.7
185.09584	1.5
189.12769	6.5
193.12276	1.5
207.13773	13.8
209.13231	2.1
225.14822	3.6
233.93991	1.4
241.16040	3.0
243.08475	5.2
269.15414	4.4
281.17456	28.3
283.15143	3.9
287.16513	4.0
322.82013	1.4
425.21664	3.5
439.19864	1.8
469.20471	1.5
487.30429	31.2
501.23117	15.0
501.32108	4.3
529.31158	1.5
549.86298	1.9
551.28314	10.4
567.33026	5.7
631.34723	3.6
811.44434	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.9
61.02917	5.6
65.43275	0.6
67.05497	10.1
69.03413	4.6
69.07062	3.1
71.04983	2.0
71.69997	0.9
71.70346	1.1
73.02905	3.7
79.05476	9.9
81.03394	8.7
81.07047	10.3
83.04973	3.2
83.08598	2.1
85.02890	5.8
85.06543	1.0
85.19489	0.6
87.04477	0.7
91.03973	2.0
91.05473	9.9
93.07029	8.6
95.04948	4.5
95.08595	4.7
97.02885	6.1
97.06501	1.3
97.10158	1.3
99.04431	1.6
101.02406	1.9
105.07018	7.0
107.04976	1.0
107.08566	4.0
109.02902	1.4
109.06509	1.4
109.10123	1.4
110.53880	0.7
111.08112	1.3
111.26488	0.7
117.07019	2.4
117.90543	0.7
119.08595	4.6
121.06492	1.3
121.10124	3.3
123.08074	1.4
127.03940	2.1
129.07037	2.4
131.08604	2.9
133.06447	0.9
133.10130	2.6
135.11668	1.2
143.08536	1.7
145.10120	1.7
147.11688	4.4
149.09607	1.5
157.10133	2.1
161.09586	1.1
161.13246	1.0
165.12717	1.0
171.11674	3.3
173.04460	1.0
184.07362	3.0
189.12776	1.0
193.12195	1.4
207.13867	2.3
225.14702	1.3
243.08513	2.9
267.16165	1.1
281.17484	3.8
283.15125	3.2
287.16397	0.9
333.20462	2.1
339.17694	1.0
439.19519	1.6
453.21075	0.9
469.20605	0.9
487.30737	3.1
501.22925	14.3
551.28107	6.9
585.34406	0.7
631.35712	0.7
751.98242	0.9
811.44366	100.0
812.44556	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	812.542
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06623	0.3
59.07389	0.2
60.08155	6.2
67.05495	0.2
69.07037	0.1
69.33907	0.1
70.06579	0.1
70.30556	0.4
71.07365	3.3
79.05501	0.2
80.97405	0.1
81.07030	0.1
86.09694	31.0
87.10029	0.3
91.05470	0.2
93.07046	0.1
94.83669	0.1
95.08627	0.1
96.14156	0.1
98.98450	3.4
104.10731	2.0
105.07016	0.2
108.24189	0.1
116.99473	0.1
119.08510	0.1
121.24261	0.1
124.99984	20.9
134.48630	0.1
143.01013	0.3
166.02657	0.2
169.72797	0.1
184.07317	100.0
185.07666	1.1
269.52676	0.1
282.08026	0.1
354.35840	0.1
444.96890	0.1
467.51312	0.1
518.32312	0.2
646.02783	0.1
747.63086	0.1
776.52161	4.3
777.52924	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.6
61.25533	0.5
65.03901	1.0
67.05479	1.8
69.03417	2.7
69.07063	0.7
70.62523	2.5
71.04967	0.8
72.66357	0.5
79.05468	2.0
80.04999	0.7
81.03395	2.4
81.07037	2.4
82.06577	0.7
85.02879	3.7
89.03917	1.1
91.05447	1.9
93.07025	2.5
94.06544	4.2
95.04934	1.2
95.07346	1.3
95.08568	0.8
96.08124	3.1
97.02859	1.1
97.06537	1.1
105.07055	0.7
106.06538	1.5
107.07358	0.8
108.04444	2.0
108.08094	6.2
109.10136	0.6
110.09672	5.6
111.04338	0.6
116.04958	2.5
119.08581	0.9
120.04435	3.7
120.08100	5.2
121.10009	0.7
122.05998	3.9
122.09673	1.0
124.07555	3.4
127.03896	0.7
134.06003	1.9
136.07553	6.3
137.05923	0.7
138.09106	6.5
143.08603	0.8
144.04384	4.6
146.05988	3.1
147.04375	1.0
147.11615	0.7
148.07565	2.5
150.09084	1.4
152.07025	1.4
160.03914	2.4
162.05481	3.1
163.03835	4.4
164.07156	1.1
166.08611	7.9
172.03912	19.8
172.05341	1.1
172.07555	1.4
173.04436	0.7
174.05507	1.8
176.07118	2.8
180.08017	0.7
182.08377	0.7
190.04958	8.1
196.09943	0.8
197.10735	3.3
198.09131	1.0
199.12457	0.7
204.06535	17.1
204.08357	1.1
209.10732	1.5
210.07779	1.1
211.08633	3.1
212.09264	1.4
212.31183	0.6
223.08690	2.0
225.10170	13.7
226.11099	0.7
227.11736	6.9
235.08711	0.7
236.09358	1.3
237.10225	3.7
238.11008	1.2
239.08206	0.8
239.11821	3.5
241.09743	1.3
248.84247	0.6
249.10278	2.9
251.08240	1.0
251.11818	1.8
252.08817	1.1
253.09715	7.5
255.11301	2.0
257.12848	1.3
263.08182	1.3
264.08856	1.2
265.09711	3.3
266.10406	2.1
267.11246	3.2
269.12909	1.3
271.10803	2.8
273.12277	5.2
277.09723	2.3
279.11389	2.6
281.12878	1.2
284.11679	0.7
285.12302	18.5
293.09341	0.7
294.09921	1.2
297.12366	6.3
298.13116	4.2
299.13858	5.5
300.11652	0.8
300.14853	1.7
301.15421	9.2
302.13040	0.8
305.09360	0.8
307.10580	1.0
309.12323	1.6
311.13907	5.0
312.14932	1.2
313.12918	1.3
314.12897	2.1
315.13614	1.8
316.11102	0.9
316.14545	1.8
325.11765	9.5
325.15369	1.1
326.12735	0.8
327.13614	3.7
327.16855	0.8
328.10730	2.6
328.14532	2.9
329.11404	1.0
329.15323	0.9
330.12433	1.4
330.16013	2.8
331.16754	2.3
335.10349	0.9
337.11697	4.2
339.09808	3.4
339.13498	1.0
340.10849	1.1
340.14581	0.9
341.11728	2.4
341.15314	0.9
342.12354	6.2
342.16019	1.4
343.13040	5.7
344.13928	1.7
352.14429	1.7
353.15298	0.9
354.12256	1.3
354.16171	1.5
355.13324	1.9
356.13815	6.7
357.14420	9.3
358.15390	4.0
366.16046	1.1
368.10397	0.8
369.14905	1.1
370.11539	1.0
370.15518	4.9
371.16226	1.7
380.14035	1.7
382.11682	4.6
383.12595	3.5
383.16989	0.7
384.13281	3.9
384.17712	1.4
385.14194	1.4
386.14902	2.5
387.15845	0.9
392.19739	1.0
398.14914	20.6
398.19803	1.1
399.15710	25.4
400.16403	2.3
400.20337	2.0
401.17209	1.0
402.17920	0.7
404.20074	3.1
412.16464	1.5
414.17813	0.8
416.19937	1.5
418.17511	5.4
422.15149	1.2
426.18417	1.2
428.19769	3.3
430.17551	16.8
431.18005	1.3
436.18771	2.7
440.16055	2.4
442.17557	4.6
444.19266	3.4
454.17612	3.7
460.18530	11.3
461.19077	1.0
469.16068	0.9
472.11942	1.5
472.18643	29.0
473.19177	1.3
474.20306	0.8
487.17181	3.8
492.21359	2.3
504.21298	9.9
555.26416	1.0
579.25751	1.4
583.25378	4.2
597.26862	2.6
607.25482	5.9
625.26471	100.0
626.27057	4.9
657.29071	11.8
658.29456	0.9
670.33398	0.8
743.32385	1.1
745.30890	1.1
751.29535	0.9
759.30945	0.8
769.30621	0.8
787.31763	22.3
788.31067	1.7
819.33295	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60980	0.5
65.53881	0.5
67.05489	0.6
70.06642	0.7
70.85436	0.5
70.85768	1.3
79.05491	0.8
80.05015	0.6
81.03409	1.7
81.07047	1.0
85.02892	1.1
91.05453	1.6
93.05780	1.0
93.07039	1.6
94.06554	2.0
96.08099	1.6
97.02877	0.7
97.06535	0.7
103.05465	0.9
107.07330	1.0
107.08584	0.7
108.08099	5.7
109.02932	0.7
110.09688	2.1
119.08602	0.6
120.04410	0.5
120.08089	3.9
121.10106	1.1
122.06005	2.6
122.09674	2.4
127.03916	0.7
132.08034	0.9
136.07545	7.8
138.09117	4.3
146.06029	0.9
147.04457	1.6
148.07541	4.0
150.09126	2.7
152.07114	0.7
163.03961	0.7
164.07063	1.6
166.08603	4.4
172.03969	1.1
180.10214	0.8
190.04956	0.6
197.10698	1.1
199.12244	0.7
204.06631	0.8
211.08705	1.1
212.09435	0.8
213.10236	0.6
222.07855	0.9
223.08659	0.9
223.12289	0.7
225.10199	3.9
226.11031	1.3
227.11865	2.0
235.08742	1.5
236.09396	0.9
237.10199	5.4
238.11055	1.4
239.08122	0.9
239.11728	3.7
240.12584	0.5
241.09721	1.7
241.13287	0.6
249.10269	4.8
250.11009	2.0
251.08209	1.3
251.11752	5.2
252.12587	1.2
253.09654	3.6
253.13420	1.8
254.10551	0.9
254.13962	0.6
255.11218	3.4
261.10245	1.4
263.08066	0.8
263.11755	3.0
264.08990	1.3
264.12485	0.7
265.09747	6.5
265.12836	0.8
266.10507	2.0
267.11264	8.9
268.12082	0.9
269.12927	1.5
271.10910	0.6
277.09711	3.1
278.10532	3.1
279.08096	1.2
279.11206	8.0
280.12024	1.5
281.09305	1.5
281.12921	4.5
282.10156	0.7
283.10828	2.1
285.12308	2.0
287.10092	0.9
287.13834	0.8
289.09735	1.5
291.11310	2.4
292.08511	0.9
293.09225	2.3
293.12888	5.6
294.10007	1.6
295.10815	2.6
295.14413	0.9
296.11481	1.4
297.12137	2.8
299.14087	0.8
305.09091	0.9
306.10309	0.6
307.10712	4.5
308.11639	1.1
309.09186	0.8
309.12234	3.5
311.10208	1.4
311.14041	1.9
312.11151	1.0
313.11847	1.5
314.12592	0.7
315.13693	1.1
319.10840	1.0
321.12460	1.7
323.13934	1.7
325.12061	2.5
326.12732	1.7
327.13565	2.5
328.14618	1.1
329.15060	0.8
335.10175	0.9
337.11774	1.3
339.13391	6.0
340.14044	0.7
341.14899	6.0
342.16034	1.1
353.11276	0.8
353.15350	0.9
355.13147	1.3
356.13770	0.8
357.14728	1.2
358.15463	0.7
367.12976	1.1
368.13773	1.2
369.14539	1.2
370.15491	1.3
371.16550	0.9
372.17148	1.5
381.14444	3.8
383.16098	1.2
384.17322	0.8
385.13910	0.7
386.14584	0.7
395.16428	0.7
397.14078	1.0
398.14914	1.1
399.15857	0.8
400.16568	0.9
409.14124	1.5
411.15796	2.0
413.17566	0.8
414.18115	1.1
415.15100	0.8
416.15894	1.1
423.15591	0.7
427.15030	1.0
429.16571	1.0
430.17224	0.8
433.13928	1.0
435.15912	0.6
437.13345	0.7
439.15582	0.8
441.16583	4.0
445.16122	1.4
448.22678	0.7
451.15033	1.3
457.16266	1.0
460.18674	1.6
461.13245	1.1
461.19479	0.9
465.16531	0.8
467.14212	0.8
469.15930	3.6
470.16891	0.7
471.17905	1.3
474.20178	0.7
476.22021	0.6
479.14670	2.6
483.17529	2.1
499.17294	0.9
501.18588	6.1
511.17111	1.8
516.21765	1.5
529.18219	2.1
548.23584	0.9
576.23395	2.2
586.21069	0.8
593.23273	0.7
604.22955	2.5
608.25989	0.8
621.23218	2.5
623.24994	1.7
624.25885	1.2
632.22552	2.0
636.25476	9.0
637.26288	0.6
664.24915	54.3
665.25555	3.2
682.26160	2.9
696.27509	100.0
697.27826	5.4
755.29175	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	819.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	31.6
65.03908	8.1
67.05491	100.0
69.03419	16.3
69.07043	40.3
71.04974	7.2
71.71858	9.5
79.05483	77.2
79.70604	5.4
81.03414	32.1
81.07046	91.4
83.04974	22.8
83.08588	21.8
85.02898	11.7
85.06503	7.4
91.05466	90.9
93.07029	82.5
95.04964	66.6
95.08590	60.1
97.02859	14.9
97.06498	12.1
97.10159	13.9
105.07011	81.8
107.04940	44.7
107.08577	43.9
108.18491	6.4
109.02923	6.7
109.06490	36.8
109.10126	35.0
111.04424	8.1
112.05141	6.8
113.05977	12.1
115.05428	12.1
117.06996	45.7
119.08580	57.0
121.06487	17.4
121.10104	17.3
122.07312	7.5
124.63985	6.2
125.09608	17.6
129.06982	19.5
131.08551	46.7
133.06474	21.4
133.10104	43.1
135.08029	25.7
135.11658	22.2
143.08543	24.2
145.06415	10.4
145.10152	32.9
145.11116	5.4
147.08014	24.6
147.11659	23.2
149.09579	7.5
149.13255	10.2
155.08548	11.2
157.10129	15.8
159.08057	9.5
159.11646	22.7
161.09598	17.7
161.13277	13.0
167.45056	5.8
169.10127	20.1
170.08534	6.3
171.11710	13.5
173.13182	13.7
177.12778	8.9
185.13222	11.5
187.14934	6.6
217.15892	8.6
227.12646	7.9
229.14384	7.1
233.15361	8.5
241.19466	7.7
243.13892	6.8
259.20648	10.2
273.18466	32.4
275.20078	21.0
290.18839	9.2
291.19427	42.7
315.23087	8.3
333.24268	26.2
347.21936	10.8
349.23572	14.0
381.22601	11.3
504.71988	6.9
593.37695	7.0
621.40869	12.8
639.42340	31.8
657.43311	14.9
660.13953	8.4
739.14923	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	819.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	19.4
57.07076	4.6
59.04982	5.5
61.02903	7.0
65.03932	7.2
67.05497	100.0
69.03413	37.4
69.07059	30.2
69.38629	43.0
71.01353	4.7
71.04963	15.6
73.02893	5.4
75.94868	3.6
79.05484	67.2
81.03405	62.8
81.07049	64.9
83.04959	19.8
83.08614	22.8
85.02884	22.9
87.04459	3.8
91.05465	69.8
93.07029	67.3
95.04955	18.5
95.08602	43.6
97.02875	27.1
97.06503	31.1
97.10157	19.9
99.04427	9.3
103.05447	5.9
105.07016	58.2
107.04933	15.1
107.08575	33.9
109.02865	12.4
109.06499	8.8
109.10129	51.2
111.04429	7.4
111.08086	5.4
115.05448	5.9
117.06998	32.8
119.08567	42.4
121.06483	5.7
121.10097	18.5
123.08028	7.5
125.09605	23.9
127.03913	13.4
128.06242	8.1
129.06973	25.1
131.08548	38.9
133.06461	5.9
133.10127	29.2
135.08018	9.4
135.11656	12.5
137.09593	6.4
141.05711	2.9
141.06947	9.5
142.07747	4.5
143.08553	19.4
145.06412	6.2
145.10130	32.3
147.07999	4.1
147.11650	20.4
149.09576	7.0
149.13283	6.9
155.08530	14.5
157.10078	21.1
159.08012	4.0
159.11658	19.0
161.09602	6.2
161.13234	11.7
163.11179	12.8
165.07062	4.4
167.08475	4.5
169.10101	9.1
171.11670	11.8
173.04414	23.6
173.05734	4.5
173.11679	14.7
173.13219	11.6
175.11148	5.8
175.14825	4.3
179.08546	4.9
179.14233	3.9
181.10161	8.2
183.11676	9.4
184.07306	11.0
185.13217	12.9
187.11110	3.8
187.14854	4.4
193.12192	4.2
195.11629	6.8
195.83342	3.8
197.13214	10.0
199.11223	4.6
199.14867	7.3
209.11612	5.1
211.13234	4.6
213.12755	4.4
217.15894	4.1
219.11649	3.8
225.16475	4.1
227.12714	12.0
229.14214	24.0
241.19531	6.2
257.18982	4.3
259.20560	14.6
267.15927	7.2
273.18399	4.4
275.20071	41.7
283.20679	4.1
291.19495	9.9
295.20480	3.8
301.21616	5.7
313.21570	7.3
325.21582	5.5
337.21732	4.8
349.23669	14.0
365.23199	5.4
367.22543	6.1
385.23990	4.3
400.63165	4.1
525.36230	5.3
528.20386	4.0
541.35162	23.2
542.35388	3.9
559.35681	7.2
595.36584	5.3
621.41138	4.2
639.42432	18.9
657.42841	7.5
703.39417	4.5
819.49329	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	820.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.8
65.03916	1.4
67.05495	18.7
69.07055	16.7
70.44299	1.9
70.44723	2.0
71.04965	1.3
71.08622	0.8
79.05484	15.4
81.03414	3.9
81.07047	25.4
83.04953	3.9
83.08627	4.1
86.09684	3.3
88.71638	0.8
91.05467	24.0
93.07030	17.4
95.01305	5.7
95.04961	5.0
95.08584	14.2
97.06517	34.4
97.10159	1.8
105.07014	41.0
106.07347	0.9
107.04933	10.7
107.08575	8.0
109.06502	1.6
109.10143	4.4
111.04386	0.9
111.08057	1.5
117.06998	8.2
119.08556	20.9
119.09402	1.0
121.06509	1.2
121.10119	3.9
123.04393	1.2
123.08028	2.7
123.11675	1.4
124.99972	1.8
125.09564	1.1
128.32533	0.8
129.06946	1.5
131.08557	11.1
133.10107	20.1
134.10321	1.1
135.08028	2.2
135.11639	4.1
137.09656	1.5
139.07520	1.6
141.06937	0.9
143.08556	2.1
145.06479	1.2
145.10127	9.3
147.11661	9.5
149.09618	6.7
149.13205	2.0
153.82057	0.8
155.08562	1.1
157.10004	1.6
159.11720	6.0
161.13231	2.5
163.11140	4.2
165.09094	1.4
171.11562	1.3
173.13263	2.1
177.12669	2.1
179.14291	9.2
183.11668	1.8
184.07335	10.4
187.11259	1.9
211.94261	0.7
229.19576	1.4
239.18044	1.3
247.16936	1.1
247.20543	1.8
257.18878	5.1
275.20020	74.9
276.20325	2.8
279.15927	1.0
293.21085	4.4
331.22745	0.9
349.23691	45.6
350.23901	2.1
623.42975	100.0
624.43323	6.8
628.88226	0.9
641.44165	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	18.1
57.07060	2.0
61.02919	72.0
65.03937	1.2
67.05499	26.7
68.99830	0.8
69.03421	22.6
69.07058	6.2
69.52150	7.6
70.06547	1.4
71.01336	1.6
71.04988	5.2
73.02522	1.1
73.02907	18.0
73.19106	0.7
75.04468	1.4
79.05482	18.9
81.03406	21.2
81.07047	29.4
83.01315	1.4
83.04977	4.7
83.08613	4.1
85.02895	100.0
85.06538	0.8
87.04446	2.5
88.07626	1.5
91.03944	52.4
91.05465	14.0
93.07037	19.2
95.04945	3.9
95.08588	23.1
97.02880	67.7
97.06512	2.4
97.10157	1.8
98.03194	1.1
99.04442	10.5
101.02362	4.2
102.09158	1.3
103.03939	10.6
105.07006	10.9
107.05032	1.0
107.08575	11.6
109.02859	10.6
109.06532	1.9
109.09499	1.1
109.10153	11.8
111.04420	3.4
115.03899	6.8
117.05473	2.3
117.07003	5.4
119.08565	8.7
121.10134	11.2
123.08076	1.3
123.11677	5.1
127.03896	34.5
129.05441	3.9
129.06985	2.6
131.08572	7.4
133.04984	1.0
133.06551	1.2
133.10095	8.3
135.08043	1.1
135.11665	6.5
137.05936	0.9
137.09610	1.4
137.13232	1.4
143.08533	2.0
145.04941	30.2
145.10098	7.4
147.08063	1.2
147.11703	5.5
149.02325	4.3
149.09576	1.1
149.13284	6.3
157.10118	2.1
159.06505	2.9
159.07912	0.8
159.11668	6.6
161.13220	3.4
163.03929	1.3
163.05998	19.5
163.11151	1.3
163.14783	3.3
165.12843	1.2
167.08388	1.1
169.10074	2.0
171.06525	1.6
171.11591	1.8
173.13225	5.7
175.11116	1.0
175.14796	1.4
179.14230	1.2
183.06529	9.0
183.11668	1.2
185.13211	1.2
187.14781	1.9
189.12874	0.9
191.14302	0.9
193.04958	1.9
195.11853	1.3
197.13165	1.4
201.07565	5.9
223.14711	1.0
228.23210	2.3
241.19496	1.5
243.21085	4.0
257.18979	1.0
259.20471	2.9
261.22134	16.6
264.39136	0.9
273.21997	1.1
285.22092	1.4
299.23444	0.9
301.21408	1.0
303.23145	3.6
313.21701	0.8
315.23120	2.7
321.24274	0.8
327.23087	1.9
333.24069	1.1
335.25769	49.9
336.26022	1.8
345.24188	1.1
349.23798	1.0
351.23254	2.6
353.26727	1.3
363.25153	3.3
369.24191	4.6
377.26865	3.8
387.24948	2.0
389.26959	1.2
405.26474	1.4
419.27762	1.0
423.80869	0.9
425.26904	1.0
443.28006	5.0
444.01581	1.0
461.28690	4.0
479.30115	7.0
497.30753	3.2
571.91931	0.9
822.36438	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03193	1.7
57.03427	16.5
57.07043	2.2
59.04987	16.0
61.02911	4.6
65.03917	3.9
66.91265	1.5
67.05495	100.0
69.03411	8.3
69.07059	36.3
71.01329	1.5
71.04980	11.5
71.08604	1.4
71.70814	1.4
73.02892	2.1
77.96165	1.1
79.05479	55.1
80.05798	1.7
81.02942	2.0
81.03407	44.6
81.07046	64.7
82.07365	2.4
83.04965	13.9
83.08611	22.0
84.08948	1.5
85.02902	8.6
85.06535	4.8
87.04449	11.7
91.05468	48.0
92.05780	2.5
93.07029	46.2
94.07330	1.5
95.04953	22.5
95.08592	28.3
96.08908	1.3
97.02867	8.0
97.06521	14.1
97.10154	20.1
99.04442	7.4
99.08064	3.5
103.05399	2.0
105.06338	2.1
105.07016	37.5
106.07339	1.5
107.04935	13.5
107.08572	30.5
109.02841	2.6
109.06506	8.5
109.09400	2.6
109.10141	50.4
110.10472	1.6
111.04436	4.2
111.08058	9.6
111.80138	1.2
115.05420	2.5
117.07008	17.8
119.08559	33.3
120.08871	1.5
121.05722	1.3
121.06475	7.9
121.10124	13.6
123.04407	1.9
123.08088	6.5
123.11643	3.1
124.11938	1.5
125.05970	1.7
125.09617	12.4
127.03884	3.5
128.06192	2.3
129.05478	1.7
129.06987	11.4
129.29639	1.3
131.04861	2.0
131.08545	22.7
132.08797	1.5
133.06467	4.1
133.10104	22.9
135.08026	5.0
135.11668	12.5
137.05910	1.7
137.09622	6.9
137.10567	1.6
139.11171	2.2
141.06990	3.5
143.08524	5.0
145.06462	3.7
145.10083	18.2
147.08035	2.8
147.11655	9.8
149.09592	16.6
149.13229	6.6
151.11131	4.5
153.12672	2.1
155.08517	4.0
155.10657	2.8
157.10085	10.0
159.08002	2.0
159.11670	12.2
160.11990	1.9
161.09579	3.2
161.13231	4.4
163.11148	15.6
163.14777	1.6
165.09094	1.6
165.12712	3.5
167.08521	1.4
167.10648	1.4
169.10030	2.1
171.11638	4.4
173.04436	2.3
173.09608	3.3
173.11696	15.4
173.13257	5.4
175.11093	7.1
177.12706	3.5
179.14284	2.1
181.12167	1.9
183.11601	2.8
184.07245	2.2
185.09653	1.7
185.13269	3.8
187.11147	2.4
187.14737	2.1
189.11168	5.1
189.12668	1.5
191.10623	3.4
193.12219	13.4
195.11861	1.6
195.13779	4.5
197.13159	2.3
199.13239	4.2
203.14218	1.3
205.12262	1.6
209.11678	3.3
211.13171	3.1
219.13745	1.6
223.13147	2.6
225.14789	2.6
227.12770	12.6
229.14316	41.1
229.19408	2.0
239.18057	1.6
241.14307	2.9
255.15843	3.8
257.18948	3.9
265.14267	1.5
267.15881	26.8
269.17404	10.0
273.18674	1.9
275.20047	21.4
276.20444	5.0
277.21545	1.5
283.15381	8.8
291.19455	3.3
293.21466	1.9
301.16617	3.3
315.17963	2.2
329.21054	1.3
347.21982	1.9
349.23737	15.1
350.23901	3.7
355.22629	1.4
361.23096	1.5
365.23248	1.5
367.24982	2.3
368.25122	1.5
388.01602	1.2
409.25708	5.2
421.25674	10.7
423.27405	10.8
435.27167	1.4
437.25110	2.5
445.29288	1.4
447.27417	7.2
470.39313	1.5
477.28687	1.5
503.33490	5.6
509.30850	3.7
527.31915	1.7
541.35120	10.7
544.36542	2.4
545.38306	3.5
559.35913	4.3
575.35547	1.5
607.34467	2.9
624.42944	2.5
642.44427	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	5.5
65.03927	4.1
67.05498	44.5
69.07063	31.4
70.30795	5.9
71.04961	2.6
73.02875	1.6
76.30947	1.4
79.05482	42.4
81.03403	6.4
81.07046	57.3
83.04961	6.3
83.08612	7.1
85.06543	3.2
89.61695	1.6
90.35520	1.5
91.05466	73.4
91.06039	3.6
93.07031	48.9
95.01301	7.7
95.04962	9.2
95.08596	35.5
97.06516	21.3
97.10146	2.8
99.08053	2.0
101.57660	1.8
103.05425	1.9
105.07014	100.0
107.04943	14.8
107.07899	2.5
107.08583	26.3
109.06493	4.6
109.10148	9.2
111.08054	2.6
115.05419	2.7
116.42651	1.9
117.07010	20.9
119.08566	53.8
121.06455	2.7
121.10139	15.9
123.04440	2.0
123.08050	3.3
123.11719	1.7
125.09618	2.0
129.06981	6.7
131.08548	30.4
133.10114	51.1
135.08006	2.3
135.11687	13.0
137.09636	2.2
141.06909	2.3
143.08542	7.7
145.10117	20.3
147.11665	26.4
149.09599	5.3
149.13234	6.5
151.11174	2.4
157.10129	6.2
159.11676	15.9
161.13234	16.6
163.11215	4.3
169.10149	3.1
171.11696	8.5
173.13246	8.4
175.14833	6.2
177.12738	2.9
179.14294	12.8
183.11674	2.9
185.13280	4.5
187.11159	2.4
187.14763	2.8
197.13290	2.1
199.14821	4.7
201.16370	1.8
215.18071	2.3
231.21056	1.8
239.17957	2.0
241.19499	17.1
257.18942	5.4
259.20547	22.3
275.20023	62.2
277.22034	1.7
279.15668	2.1
293.20956	4.3
315.23059	9.2
333.20236	2.6
333.24191	51.0
334.24323	2.5
349.23688	46.4
350.23981	3.2
351.25388	2.1
398.68073	1.4
437.33963	1.6
455.76480	1.6
485.70264	1.5
513.35724	3.3
607.43512	84.9
608.43176	4.8
625.44763	9.3
724.92450	1.9
835.96118	1.9
836.12701	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.217
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30001	0.5
61.02921	0.7
67.05492	1.2
69.03417	2.9
69.65368	3.7
71.04966	0.5
71.95254	0.9
72.15754	0.5
72.95817	0.4
73.02911	0.7
74.36664	0.5
74.97594	1.1
79.05479	1.5
81.03404	1.9
81.07039	1.1
83.04994	1.2
84.96026	10.4
85.02894	5.1
87.04478	0.6
91.05460	1.5
94.16853	0.5
95.04977	2.0
97.02870	2.1
97.96806	0.8
98.20692	0.9
98.97569	33.7
99.04527	0.5
102.97046	2.2
107.04926	1.8
109.02863	0.8
109.06461	1.0
109.53065	0.4
110.97551	5.7
111.04419	1.0
112.99118	0.7
113.36082	0.5
115.97841	0.9
116.98606	31.7
119.01906	1.6
119.04975	1.0
120.98035	0.8
123.04415	3.3
124.22260	0.5
127.03909	1.4
128.98595	13.2
131.00154	1.8
131.04926	1.9
134.02464	0.6
134.99635	16.5
135.04419	1.3
137.06024	0.6
140.00203	1.8
143.00136	2.6
143.01836	0.6
144.98000	0.5
145.05002	1.0
146.99635	12.4
147.04320	0.6
149.01205	1.6
149.05980	1.0
153.00723	1.5
155.00162	2.2
155.01817	0.5
158.01236	1.1
158.99626	10.6
161.01222	5.4
161.02962	1.9
162.99139	1.2
165.00720	1.5
165.02254	1.3
165.05434	1.0
165.99393	0.6
167.00153	1.3
169.01877	0.8
170.01262	0.8
170.96095	0.5
170.99634	3.4
173.01256	2.9
173.02646	0.6
177.00702	15.0
177.02229	1.0
179.00128	1.3
179.02220	1.4
181.00269	0.5
181.01714	2.7
182.89894	0.5
182.99702	1.0
183.03252	1.2
183.06509	1.0
184.00412	1.0
185.01154	3.9
185.02687	0.7
187.02827	1.0
189.00691	3.7
190.98608	0.7
191.00166	0.9
191.02330	0.5
193.01732	2.1
193.03296	0.5
194.99727	1.1
195.01776	1.2
195.03360	0.9
197.01257	3.9
197.02913	0.7
199.02760	3.7
199.04530	0.8
200.02307	1.0
201.00620	2.3
203.00188	0.8
203.02209	0.8
205.01721	1.1
206.99936	0.6
207.01741	0.9
209.01196	7.3
211.02744	5.2
213.00694	2.9
215.02257	0.9
217.03857	1.2
219.01741	17.9
220.02386	0.7
221.01175	8.6
221.03096	0.9
221.04877	0.7
223.02805	3.6
223.04726	0.8
223.99896	0.5
225.00684	0.7
227.02237	12.5
229.03813	1.4
231.01782	0.5
233.01176	6.8
235.02769	1.4
235.04823	0.6
237.00748	1.2
237.02782	34.5
239.02238	19.5
240.02646	0.6
241.03862	1.1
242.03329	1.0
243.01753	0.5
244.02684	0.6
245.01199	2.6
245.03360	1.9
250.03955	0.7
251.02223	10.0
255.03882	3.0
257.03290	6.0
260.04425	1.7
261.02740	0.5
262.03857	0.7
263.02222	11.8
269.03217	2.9
271.06595	0.5
273.02841	2.0
274.03668	0.8
275.04474	0.8
279.04019	1.1
280.04938	0.6
281.03268	14.8
282.03738	0.8
287.04523	1.1
293.03162	1.4
299.04257	6.9
304.04950	0.8
311.04358	1.2
322.05957	1.2
323.04324	3.4
327.03552	0.7
329.05405	1.3
341.05627	1.5
353.05350	0.6
367.40936	0.6
371.06332	0.8
372.05292	0.6
383.06494	1.6
389.07523	2.0
399.21274	0.5
401.07452	2.7
404.54382	0.5
419.08542	10.4
431.08530	6.5
442.10837	0.8
443.08582	2.2
460.09244	0.9
460.59393	0.6
461.09619	100.0
462.10013	3.6
535.10901	0.7
552.98401	0.5
715.17010	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5501
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10166	2.4
61.02908	4.6
65.03914	3.3
65.95873	2.4
67.05493	95.9
69.03415	7.7
69.07058	30.7
69.41155	22.8
71.04979	3.6
76.89328	2.1
79.05482	75.7
81.03399	11.4
81.07042	100.0
83.04970	10.0
83.08604	13.4
85.02897	6.7
85.06532	6.2
91.05461	55.6
93.07028	77.2
94.25195	2.0
95.04947	12.3
95.08591	62.1
95.09200	3.4
96.85292	2.0
97.02883	6.3
97.06522	9.6
97.10153	8.2
99.04435	3.1
99.08084	3.7
105.07009	46.6
107.04955	7.2
107.08578	45.3
109.02898	3.1
109.06494	6.4
109.10129	23.6
111.08085	4.2
116.74273	2.7
117.07008	15.5
119.08540	27.4
121.06504	3.5
121.10120	27.3
123.08000	3.2
123.11681	6.6
125.09547	5.7
127.03911	2.6
128.06195	2.4
129.06998	5.5
131.08534	22.7
133.10106	24.0
135.08080	4.5
135.11649	20.6
137.09570	2.6
137.13315	2.2
143.08533	4.9
145.10091	20.5
147.08099	3.2
147.11636	15.0
149.09615	5.3
149.13249	15.4
157.10121	5.6
159.11662	15.8
161.09564	2.8
161.13254	7.0
163.11162	6.4
163.14871	4.5
165.12822	2.5
169.10129	2.7
172.91098	2.4
173.13258	8.6
177.12680	2.9
184.07362	3.4
187.14790	5.0
189.11220	4.1
213.22087	2.3
227.12686	5.8
229.14401	6.3
243.21089	2.6
255.15863	3.1
257.19031	6.1
261.22165	12.7
267.16006	2.5
269.17474	16.2
275.20087	27.8
286.04794	2.1
293.21124	3.6
293.24255	2.2
317.24664	3.5
335.25735	93.0
349.23734	23.1
359.84518	2.5
367.24890	2.8
489.35394	4.6
515.37262	17.3
529.38800	51.8
561.98517	2.5
569.41547	4.4
609.44836	27.9
616.97345	2.6
627.45715	8.2
714.61578	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	824.5502
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	3.8
65.03918	4.3
65.12434	2.0
67.05492	59.5
69.03410	3.4
69.07047	17.2
71.04959	2.5
79.05480	51.3
81.03387	3.8
81.07041	47.7
83.04970	2.2
83.08605	9.6
85.02902	3.3
85.06467	1.9
91.05464	56.6
93.07036	51.0
95.04961	8.1
95.08592	42.5
97.02879	2.4
97.10140	6.0
99.08092	2.2
105.07014	51.3
107.04915	4.0
107.08575	31.9
109.10179	11.6
109.10836	3.3
111.08023	2.7
115.05450	4.0
117.07003	24.9
119.08553	36.2
121.10115	19.4
123.08099	2.7
123.11723	2.8
128.06236	4.0
129.06979	16.0
131.08546	29.2
133.10117	28.6
135.11659	11.9
137.13219	3.2
141.06956	6.6
142.07805	4.3
143.08530	21.5
145.10117	32.2
147.11681	20.7
149.13248	6.5
155.08521	13.3
157.10107	16.3
159.11670	22.8
160.86316	1.9
161.13197	11.3
163.14839	2.2
169.10121	13.2
171.11638	14.7
173.13261	12.0
175.14774	3.2
180.09381	1.9
181.10155	7.0
183.11694	13.8
184.07292	3.4
185.13222	11.7
187.14784	6.1
189.16380	5.0
193.10120	3.1
195.11678	7.3
197.13225	12.2
199.14798	7.4
201.16293	2.9
207.11774	3.3
209.13237	8.4
211.14825	8.8
213.16417	4.9
215.17947	2.5
221.13333	3.4
223.14792	3.4
225.16354	3.6
239.18089	5.0
241.19577	3.8
251.17888	2.2
257.18994	4.9
259.20572	6.2
275.19983	2.9
305.22104	2.1
309.86490	2.1
333.24167	6.0
335.26178	3.0
337.25177	4.3
351.26794	3.0
365.28296	3.0
379.30283	3.2
501.35324	3.2
517.40149	12.3
527.36847	3.6
535.41150	6.7
539.37012	5.0
591.43732	7.5
607.43561	2.3
609.45038	100.0
610.45178	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	826.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	2.7
61.02921	9.7
65.03925	1.1
67.05497	58.0
67.99256	0.5
68.05784	0.9
69.03417	2.2
69.07068	6.1
69.44765	0.5
69.52550	4.5
69.52962	0.7
70.74702	0.6
71.04970	2.1
71.08622	18.7
73.02905	3.8
74.05661	0.5
76.02787	0.5
79.05450	1.6
81.03380	1.1
81.06608	0.8
81.07048	13.8
83.04945	0.7
83.08607	8.1
85.02898	12.5
85.06512	2.3
85.10175	9.1
85.10675	0.9
89.06004	1.4
91.03953	7.4
91.05473	4.2
93.07015	1.5
95.07996	1.0
95.08596	15.0
96.04488	0.7
97.02878	5.2
97.10153	3.1
98.20726	1.3
99.04436	0.8
99.11721	0.5
103.03930	0.9
103.07540	1.0
107.08569	1.2
109.10143	63.3
110.10460	1.4
111.08055	2.4
119.08555	4.5
123.11678	2.0
127.03875	3.3
137.09567	2.6
145.04947	2.7
155.10669	3.5
163.06041	3.7
173.11722	19.7
174.12097	0.6
184.07251	0.9
228.86694	0.6
229.14325	100.0
230.14644	2.9
239.23717	1.8
257.24738	1.8
309.83316	0.5
313.27328	75.5
314.27591	3.6
467.37296	63.2
468.37631	5.0
542.66449	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	4.0
65.84167	0.5
67.05492	5.9
69.03412	2.6
69.07050	3.2
69.72011	3.6
71.04993	1.4
71.08621	1.0
73.02911	3.5
74.46440	0.5
74.82506	0.6
79.05484	5.6
81.03415	3.9
81.07044	5.5
83.04990	0.7
83.08599	1.1
85.02900	5.3
91.03938	2.1
91.05469	6.1
93.07040	5.5
95.04966	1.5
95.08585	3.7
97.02882	4.3
99.04493	0.7
101.02381	1.6
105.07009	5.0
107.04961	1.4
107.08595	2.9
109.02885	1.2
109.10162	2.0
109.83790	0.6
117.07043	2.2
119.08556	3.7
121.10152	1.4
127.03923	2.0
129.05487	0.6
129.07048	0.8
131.08574	1.6
133.10156	2.0
135.11707	1.4
137.09715	0.6
145.10110	1.6
147.11719	2.5
159.11865	0.6
161.13258	0.8
179.14264	0.7
184.07291	0.9
220.62352	0.7
229.14340	1.2
243.08372	3.3
260.66916	0.6
301.09000	1.2
313.27493	1.8
315.10574	1.4
315.19168	5.2
371.22028	1.0
393.28180	0.6
467.22580	0.7
467.37640	0.6
495.22247	1.0
533.27112	9.6
533.34723	0.7
535.28760	7.9
605.29224	1.0
665.44202	0.8
827.49017	100.0
828.49432	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	828.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94853	0.1
68.03230	0.1
69.03417	1.2
71.70190	0.2
79.05476	1.9
80.53566	0.1
81.03384	0.5
81.06989	0.2
83.04993	0.1
85.02890	0.8
87.04434	0.4
88.16983	0.1
91.05003	0.1
91.05470	1.2
92.81412	0.1
93.07026	5.7
93.79179	0.1
94.07352	0.1
95.04971	0.6
95.08564	0.1
97.02884	0.6
103.05427	0.2
104.04950	0.1
105.03370	0.4
105.07008	1.1
107.04909	0.1
107.08574	1.3
109.02814	0.1
109.06492	0.2
115.03883	0.3
116.06229	0.1
119.08550	0.4
121.06464	0.4
121.10122	6.4
122.10478	0.2
123.08017	0.2
127.03856	0.2
129.07011	0.1
131.08539	0.8
132.04420	0.3
133.04886	0.2
133.07568	0.1
149.09589	9.4
150.05479	0.6
150.09886	0.2
160.03773	0.6
163.03763	0.1
178.04958	70.2
179.05324	1.4
180.05171	0.1
201.06552	0.2
206.04446	100.0
207.04779	2.0
293.13812	0.2
311.14868	0.1
323.93491	0.1
368.09695	2.5
516.18561	46.2
517.18903	2.5
534.19635	5.9
535.19971	0.4
648.22241	0.2
696.24646	0.4
857.81671	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	829.456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04979	1.1
61.02908	3.5
67.05497	8.0
69.03416	7.1
69.07043	5.5
71.04984	2.9
73.02896	1.7
79.05487	7.6
81.03398	3.4
81.07043	24.1
83.04968	38.1
83.08612	7.6
85.02891	37.3
86.03199	1.0
87.04471	0.9
91.03933	1.3
91.05456	13.0
93.07030	28.0
95.04968	6.7
95.08588	33.8
97.02866	9.3
97.06516	2.1
97.10121	1.7
99.04420	2.3
99.08061	5.1
105.07012	28.0
107.04916	1.0
107.08573	46.6
109.02840	2.9
109.06503	3.6
109.10149	17.7
111.08072	4.8
117.07002	3.7
119.08560	45.4
121.10130	22.3
123.08035	5.9
123.11678	7.6
125.09605	19.0
127.03873	8.4
129.06985	1.9
130.07730	1.4
131.08545	20.4
131.09416	0.7
133.10107	27.7
135.08009	1.6
135.11673	10.8
137.05934	0.9
137.09604	3.2
139.07504	1.0
143.08551	10.8
145.04942	11.0
145.10104	30.9
147.11659	23.3
149.09544	1.5
149.13246	9.2
151.07524	1.5
151.11183	2.6
155.08519	2.6
156.09297	1.7
156.37939	1.0
157.10092	15.3
158.10855	2.2
159.08095	1.3
159.11673	28.8
161.09579	2.1
161.13242	18.6
161.17677	1.0
163.03925	1.6
163.06017	3.6
163.07542	3.9
163.14778	4.7
169.10106	4.7
170.10872	1.4
171.11667	15.0
173.13217	22.2
175.14790	21.0
177.09109	1.7
177.12766	1.6
177.16374	6.4
179.14316	1.3
181.10100	1.4
182.10957	1.1
183.11649	5.7
184.12491	1.0
185.13222	20.6
187.14806	31.0
189.12747	1.5
189.16351	9.6
191.14305	3.5
191.17990	1.7
193.15927	1.2
195.11609	1.9
196.12444	1.1
197.11551	0.9
197.13155	5.3
199.14792	26.1
201.12778	1.9
201.16359	29.1
202.16708	1.5
203.14281	11.1
203.17972	3.3
205.15840	10.4
207.11662	1.3
207.17342	1.6
209.13289	2.6
211.14790	6.2
213.16336	18.0
215.14354	2.7
215.17953	4.1
217.15834	6.7
219.13800	1.2
219.17404	4.6
221.15283	1.4
223.14813	2.3
225.16382	4.2
227.17952	4.7
229.15855	1.0
229.19467	1.1
230.10553	1.1
231.13812	1.3
231.17444	5.2
233.15352	4.4
237.16367	2.7
239.17926	3.2
241.15535	1.0
241.19482	3.5
243.13847	1.1
245.15404	7.5
247.16951	4.0
249.14790	10.2
251.17873	2.1
253.19510	3.8
255.21042	2.2
259.16891	6.4
265.19589	1.7
267.21146	4.4
269.22461	1.7
273.18399	1.5
279.21054	1.3
281.22614	1.2
291.21069	1.6
295.24121	1.5
299.20154	1.3
299.23611	1.8
313.21771	1.7
323.27341	1.7
339.23340	2.4
341.24579	2.5
341.28418	5.9
345.41977	1.0
347.27347	1.9
351.27084	1.2
355.26340	2.6
365.28314	1.5
369.27835	2.3
377.24496	1.0
377.31973	1.0
387.30478	7.1
393.27664	5.5
405.31470	32.4
406.31876	2.0
407.33066	4.3
411.28809	2.2
421.31064	3.9
423.32553	11.0
424.32669	1.2
433.30942	15.6
439.31790	1.3
441.33545	2.0
451.32037	55.2
452.32349	3.3
469.33093	100.0
470.33490	4.2
487.34274	7.4
505.34854	1.3
631.37836	2.8
767.46606	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	5.6
67.05123	0.6
67.05485	5.7
69.03424	3.8
69.07059	2.8
69.40063	4.8
71.04977	0.9
73.02901	4.0
79.05478	6.3
81.03409	2.3
81.07034	5.6
83.04969	0.6
83.08608	0.7
85.02878	5.7
87.04474	0.6
91.03925	3.1
91.05468	5.4
93.07021	8.6
95.04971	1.5
95.08580	4.1
97.02874	4.9
97.06548	0.6
97.10207	0.6
99.04443	0.9
101.02367	2.2
103.03952	0.6
105.07008	4.9
106.18810	0.4
107.08574	3.4
109.02905	1.1
109.06528	0.5
109.10165	1.0
117.07008	1.7
119.08560	3.8
121.10107	2.8
127.03924	1.6
127.18362	0.4
129.05486	0.9
129.07022	0.7
131.08568	2.1
133.10117	2.4
135.11691	1.5
143.08534	0.8
145.10124	1.2
147.11684	1.9
149.09639	0.5
149.13216	0.9
152.83937	0.4
157.10081	0.8
159.11728	0.8
161.13239	1.2
169.02614	0.4
171.11636	0.7
173.13283	0.6
175.14842	0.5
184.07278	0.6
185.04253	1.7
185.13280	0.5
201.03773	0.8
203.05345	0.5
234.73123	0.6
243.08362	4.5
259.07837	0.6
259.20682	1.0
271.92661	0.4
278.29248	0.4
295.52090	0.4
299.19812	0.5
301.08917	2.4
313.09067	0.9
313.27371	0.7
315.10532	1.3
317.20932	1.2
322.89813	0.4
341.11963	0.7
343.13821	0.5
371.17081	0.6
373.10852	0.5
383.16455	0.4
385.18521	0.7
387.12418	0.5
397.18213	0.5
418.12271	0.5
429.17151	0.6
465.20874	2.3
493.91483	0.4
495.22202	0.6
525.23035	1.7
530.66516	0.4
535.28668	17.7
536.29602	1.0
607.31012	1.6
621.32159	0.6
635.33905	0.7
649.34894	0.6
667.44257	0.4
759.42670	0.6
829.50525	100.0
830.50757	10.7
830.66461	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04973	0.2
62.19580	0.1
63.60049	0.1
67.05495	1.3
69.03102	0.1
69.03418	1.6
69.07045	0.3
71.02087	0.2
71.04988	0.8
72.51812	0.1
79.05486	0.6
81.03384	0.5
81.07040	6.8
83.04941	0.2
85.02454	0.1
85.02893	1.6
85.06512	0.4
87.04414	0.5
87.48288	0.1
91.05444	0.2
93.07032	0.9
95.04934	0.5
95.08574	1.1
97.02879	1.0
97.10131	0.5
98.73356	0.1
99.04395	0.1
105.03366	0.4
105.07011	0.3
107.08607	0.3
109.02856	0.3
109.06466	0.2
109.10148	0.1
111.04422	0.2
111.08088	0.2
115.03879	0.5
121.02763	0.1
121.10149	0.2
123.11678	3.7
127.03919	0.2
132.04416	0.3
133.04909	0.3
133.10117	0.2
138.09071	0.1
150.05452	0.6
151.11176	0.6
160.03943	0.4
161.04669	0.1
163.03870	0.5
169.12254	0.4
178.04959	71.9
179.05296	1.2
180.05394	0.2
187.13261	0.4
201.06639	0.2
206.04448	100.0
207.04764	1.4
276.83963	0.1
312.97720	0.1
313.16464	0.3
368.09702	3.8
536.21179	51.5
537.21484	2.5
698.26697	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04511	0.9
61.02921	9.5
65.03947	0.6
67.05492	4.6
69.03417	17.5
69.07062	4.6
70.06576	1.6
71.04990	3.9
71.08595	0.7
71.70370	0.8
73.02917	3.8
77.03902	0.7
78.46026	0.6
79.05476	5.2
81.03410	7.6
81.07048	9.8
83.01319	0.7
83.04985	1.4
83.08596	2.6
85.02893	100.0
85.06538	1.0
87.04455	2.5
88.42873	0.6
91.03931	4.7
91.05453	6.2
93.07034	13.5
95.04948	1.1
95.08588	16.7
97.02879	26.3
97.10160	0.9
99.04433	5.0
99.08067	3.3
101.02391	0.7
103.03944	0.6
103.05482	0.8
105.07024	15.5
107.08578	23.0
109.02869	9.2
109.06529	1.6
109.10155	10.4
115.03903	1.3
117.03339	0.8
117.06998	2.5
119.04955	1.1
119.08562	32.1
121.02704	0.8
121.06500	1.4
121.10130	17.8
121.10976	1.5
123.08045	1.3
123.11669	3.9
123.83855	0.7
127.03899	23.7
129.07011	0.8
130.07675	1.0
131.08542	15.7
131.09453	1.2
133.10114	19.3
135.04393	1.2
135.08084	1.5
135.11682	11.0
137.05994	1.4
137.09645	1.1
137.13240	0.9
143.08551	2.8
145.03058	1.2
145.04939	38.6
145.10097	21.7
147.04420	2.2
147.11665	31.8
148.12074	0.9
149.09593	1.2
149.13225	5.8
151.11165	1.1
153.79523	0.6
155.08476	0.9
157.10115	3.9
158.10941	1.0
159.11671	19.6
161.13235	8.2
162.07639	1.2
163.03928	6.6
163.05998	12.6
163.11145	5.6
163.14799	5.2
167.07062	1.0
170.10880	1.0
171.11693	3.4
172.12401	1.0
173.13257	12.3
174.13817	0.8
175.14796	10.3
177.05460	2.5
177.12744	1.8
177.16377	11.6
180.08643	3.9
181.04887	0.7
183.11734	1.7
185.13199	3.9
187.14799	31.0
188.15208	1.1
189.16354	16.6
190.16711	0.7
191.14336	1.3
191.17940	2.0
195.13812	1.2
197.13264	0.9
198.13857	0.9
199.14819	3.5
201.16357	55.3
202.16728	2.0
203.17896	5.4
204.08696	0.7
205.15846	42.1
206.16118	1.3
207.17381	7.8
211.14821	1.4
213.16344	6.2
215.17982	2.8
217.15948	0.9
217.19507	1.1
219.17442	6.9
223.16846	10.3
223.18861	1.0
227.17952	3.0
229.15741	0.9
229.19496	1.5
231.17438	0.7
233.18907	0.9
239.17851	0.8
241.19604	0.9
245.18935	1.5
247.16830	6.0
253.19719	0.9
259.87228	0.7
265.17786	0.9
267.21194	0.9
283.20584	0.9
286.10904	0.9
289.09131	1.5
319.24319	0.7
325.11383	5.3
342.13849	6.2
353.28494	1.5
360.10712	5.8
389.32104	4.4
407.33038	30.7
408.33536	2.1
409.34726	1.4
425.34097	30.9
426.34457	1.6
435.32584	6.7
443.35037	3.2
453.33566	23.4
454.33652	1.3
471.34723	10.1
489.35959	1.0
532.33203	0.9
830.44202	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04511	0.9
61.02921	9.5
65.03947	0.6
67.05492	4.6
69.03417	17.5
69.07062	4.6
70.06576	1.6
71.04990	3.9
71.08595	0.7
71.70370	0.8
73.02917	3.8
77.03902	0.7
78.46026	0.6
79.05476	5.2
81.03410	7.6
81.07048	9.8
83.01319	0.7
83.04985	1.4
83.08596	2.6
85.02893	100.0
85.06538	1.0
87.04455	2.5
88.42873	0.6
91.03931	4.7
91.05453	6.2
93.07034	13.5
95.04948	1.1
95.08588	16.7
97.02879	26.3
97.10160	0.9
99.04433	5.0
99.08067	3.3
101.02391	0.7
103.03944	0.6
103.05482	0.8
105.07024	15.5
107.08578	23.0
109.02869	9.2
109.06529	1.6
109.10155	10.4
115.03903	1.3
117.03339	0.8
117.06998	2.5
119.04955	1.1
119.08562	32.1
121.02704	0.8
121.06500	1.4
121.10130	17.8
121.10976	1.5
123.08045	1.3
123.11669	3.9
123.83855	0.7
127.03899	23.7
129.07011	0.8
130.07675	1.0
131.08542	15.7
131.09453	1.2
133.10114	19.3
135.04393	1.2
135.08084	1.5
135.11682	11.0
137.05994	1.4
137.09645	1.1
137.13240	0.9
143.08551	2.8
145.03058	1.2
145.04939	38.6
145.10097	21.7
147.04420	2.2
147.11665	31.8
148.12074	0.9
149.09593	1.2
149.13225	5.8
151.11165	1.1
153.79523	0.6
155.08476	0.9
157.10115	3.9
158.10941	1.0
159.11671	19.6
161.13235	8.2
162.07639	1.2
163.03928	6.6
163.05998	12.6
163.11145	5.6
163.14799	5.2
167.07062	1.0
170.10880	1.0
171.11693	3.4
172.12401	1.0
173.13257	12.3
174.13817	0.8
175.14796	10.3
177.05460	2.5
177.12744	1.8
177.16377	11.6
180.08643	3.9
181.04887	0.7
183.11734	1.7
185.13199	3.9
187.14799	31.0
188.15208	1.1
189.16354	16.6
190.16711	0.7
191.14336	1.3
191.17940	2.0
195.13812	1.2
197.13264	0.9
198.13857	0.9
199.14819	3.5
201.16357	55.3
202.16728	2.0
203.17896	5.4
204.08696	0.7
205.15846	42.1
206.16118	1.3
207.17381	7.8
211.14821	1.4
213.16344	6.2
215.17982	2.8
217.15948	0.9
217.19507	1.1
219.17442	6.9
223.16846	10.3
223.18861	1.0
227.17952	3.0
229.15741	0.9
229.19496	1.5
231.17438	0.7
233.18907	0.9
239.17851	0.8
241.19604	0.9
245.18935	1.5
247.16830	6.0
253.19719	0.9
259.87228	0.7
265.17786	0.9
267.21194	0.9
283.20584	0.9
286.10904	0.9
289.09131	1.5
319.24319	0.7
325.11383	5.3
342.13849	6.2
353.28494	1.5
360.10712	5.8
389.32104	4.4
407.33038	30.7
408.33536	2.1
409.34726	1.4
425.34097	30.9
426.34457	1.6
435.32584	6.7
443.35037	3.2
453.33566	23.4
454.33652	1.3
471.34723	10.1
489.35959	1.0
532.33203	0.9
830.44202	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04508	1.4
61.02919	7.8
65.03921	0.9
65.95245	0.9
67.05490	5.9
69.03412	16.8
69.07045	5.3
70.06579	2.5
71.04967	3.6
73.02908	4.3
79.05470	5.2
81.03399	9.1
81.07039	11.2
83.04947	1.8
83.08596	3.0
85.02885	100.0
85.06506	1.3
86.03239	1.4
86.09694	0.9
87.04441	2.0
91.03942	3.0
91.05461	8.7
93.07025	12.8
95.04948	1.2
95.08592	14.5
97.02235	1.4
97.02867	25.9
97.03468	1.9
97.06510	1.5
98.61287	0.8
99.04434	4.6
99.08081	3.4
102.59734	0.9
105.07011	14.3
107.04922	0.9
107.08570	21.0
109.02859	10.3
109.06472	1.3
109.10126	10.7
111.04428	1.1
111.08041	1.7
117.03362	0.9
117.06985	2.1
119.04887	2.3
119.08557	31.7
120.08062	1.0
120.08852	0.9
121.06478	1.3
121.10113	16.9
121.11466	1.0
123.08016	1.8
123.11670	5.0
127.03896	27.3
129.06998	1.1
131.04967	0.9
131.07619	1.7
131.08536	14.1
133.06511	1.1
133.10092	18.5
135.04465	0.8
135.08064	1.8
135.11659	12.1
136.07544	1.2
137.05925	3.3
137.09589	1.4
143.08528	3.4
145.02869	2.6
145.04918	40.3
145.10089	21.1
147.04402	7.0
147.11662	29.4
148.04721	1.3
148.12094	0.9
149.05986	1.0
149.09590	2.2
149.13243	4.9
151.03821	1.2
157.10094	4.0
159.11661	18.6
161.09517	0.9
161.13231	8.6
163.03905	5.3
163.06012	13.5
163.07387	1.9
163.11124	6.2
163.14774	5.5
167.07045	1.4
169.10036	1.2
171.11707	4.6
173.13223	11.0
175.11076	1.2
175.14786	11.7
177.05444	3.1
177.12743	1.9
177.16370	10.9
179.14340	1.6
180.08604	4.6
183.11615	2.0
185.13194	4.7
187.14787	31.3
189.12883	1.2
189.16353	17.0
191.14302	2.1
191.17912	2.5
193.15869	1.0
195.13739	2.1
199.14789	4.0
201.16338	52.1
202.16731	2.8
203.14276	1.4
203.17908	6.0
204.49350	0.9
205.15837	42.1
206.16141	1.9
207.17418	10.0
211.14771	1.2
213.16385	4.8
215.17891	2.8
217.15785	1.6
217.19440	1.0
219.17401	8.2
223.16847	9.6
227.17897	4.0
229.19412	1.8
230.03580	1.2
231.17467	1.2
241.19499	1.0
247.16864	8.2
249.18356	1.4
253.19418	1.2
271.08231	1.1
325.11185	4.9
342.13882	7.5
388.72070	1.1
389.31882	5.1
407.27637	1.5
407.33008	30.0
408.33124	2.6
409.34476	2.0
425.34076	30.7
426.34604	2.0
435.32507	6.9
443.35306	4.9
453.27695	1.7
453.33594	23.4
454.33929	2.2
455.31543	2.0
471.34653	12.1
489.35947	1.8
646.23633	0.9
772.49164	1.1
782.68579	1.1
831.32727	1.1
854.94061	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02366	0.2
67.05482	0.6
69.03423	1.4
69.07041	0.9
71.01344	0.3
71.04980	5.4
71.05377	0.3
71.70762	0.1
71.71225	0.2
75.04453	0.3
79.05495	1.4
81.03407	1.0
81.07054	0.7
83.04980	1.0
83.08611	0.2
85.02894	7.3
89.03895	1.8
89.97289	0.1
91.05443	0.9
93.07029	0.4
95.04945	0.6
95.08572	0.2
97.02876	3.5
97.06518	5.7
99.04453	0.7
105.07012	0.2
107.04951	1.0
107.08548	0.2
109.02856	0.4
111.04425	1.5
117.03358	2.4
119.04861	0.4
119.08533	0.2
123.04392	0.3
127.03896	0.7
128.06270	0.1
129.04550	0.2
129.05469	2.4
129.06952	0.3
131.08539	0.2
135.04396	7.8
135.11656	0.3
137.05960	3.3
143.08543	0.3
145.02827	7.2
145.06416	0.3
147.04373	0.3
147.06497	0.6
149.05936	0.2
157.06384	0.2
157.10118	0.2
159.07991	0.2
161.02405	0.2
161.06017	0.3
161.09714	0.1
163.03880	100.0
164.04227	1.3
165.05458	0.2
169.06331	0.1
169.10092	0.3
171.08037	0.2
173.02356	0.3
173.09604	0.2
181.04941	1.9
182.21342	0.1
185.09647	0.3
186.05392	0.3
187.07494	0.3
187.11147	0.3
189.05360	0.2
189.09067	0.4
191.06975	0.3
197.09557	0.3
199.07509	0.2
201.09088	0.6
205.12143	0.2
213.09117	0.7
215.07111	0.9
215.10641	2.3
225.58875	0.1
229.08647	0.2
229.12138	0.2
231.10138	0.5
232.10826	0.2
233.11693	9.0
241.08609	0.4
253.12366	0.2
255.13605	0.2
259.09628	4.0
261.11188	0.4
267.15884	0.5
273.07553	0.3
283.15436	0.3
285.14816	0.5
287.12787	0.4
287.30023	0.1
289.14349	0.3
291.08560	0.4
293.15234	0.5
307.08093	0.9
309.09589	1.4
311.12762	0.1
311.16354	2.2
325.09137	19.7
326.09586	0.3
329.17447	7.7
343.15344	0.3
347.18619	0.7
421.15033	0.6
421.19803	0.2
439.21042	0.3
444.36050	0.1
457.22025	0.4
471.14963	0.3
475.27509	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
64.80599	0.7
67.05494	2.6
69.03415	2.1
70.92857	2.5
71.59958	0.7
79.05482	3.2
80.05002	2.3
80.06252	0.9
81.03393	5.1
81.05736	0.8
82.06574	1.2
85.02897	1.9
91.05463	4.2
92.99691	0.8
93.07023	4.6
94.06548	8.6
95.04967	1.6
95.07346	3.1
96.08108	8.1
97.02884	2.1
97.06489	1.2
103.05435	1.1
105.07035	1.0
106.06542	3.3
107.07339	1.8
108.04462	3.1
108.08100	13.1
109.02865	4.0
110.06011	0.9
110.09661	14.9
116.04920	1.2
118.06525	1.6
120.04476	2.0
120.08081	15.5
120.08872	1.5
121.06528	1.0
122.06013	7.1
122.09648	6.0
123.06803	3.8
124.07536	3.7
127.03916	1.5
132.08142	1.5
134.06003	3.0
134.09616	1.5
136.03917	1.8
136.07561	12.3
137.04779	1.7
137.05901	1.6
138.05540	1.2
138.09113	25.4
144.04451	2.8
144.08047	1.2
145.02823	0.8
146.06004	4.9
146.09645	1.0
147.04424	1.8
148.07552	7.4
150.05505	1.1
150.09119	6.5
151.06270	16.0
151.07489	1.3
152.07040	40.9
154.08607	0.9
158.09673	1.0
160.03908	1.9
160.07541	2.0
162.05511	3.4
162.09134	1.0
163.03879	1.7
164.07065	2.9
166.08609	100.0
172.03900	10.9
172.07518	1.3
174.05435	4.0
176.07022	1.3
177.05434	1.7
178.08670	1.3
180.10210	3.1
182.09708	0.8
186.05540	1.1
186.09135	2.6
188.06932	4.3
188.10725	1.4
190.05035	3.2
190.08691	1.1
194.08098	44.5
195.08630	0.8
198.09094	2.9
199.08719	1.0
204.06506	18.8
204.10234	0.9
208.09950	0.9
210.11357	0.9
211.08575	1.8
211.12321	1.2
212.09091	4.1
213.10223	2.1
214.08740	1.1
215.11877	1.0
216.10196	2.5
218.11705	1.1
221.10663	1.4
223.08588	1.3
223.12376	1.3
225.06653	1.4
225.10223	4.3
226.08792	1.5
227.08113	8.9
227.11819	2.2
229.05840	0.9
229.09822	1.0
235.08574	1.6
236.09464	1.8
237.10161	8.4
238.10896	1.0
239.08165	5.7
239.11852	3.6
240.08786	1.6
241.09682	3.5
243.11261	7.1
244.09586	2.0
246.11188	2.2
249.10280	2.3
251.08218	3.6
251.11818	2.9
252.08974	1.2
253.09656	8.8
254.10396	2.1
255.11293	3.7
257.12878	1.2
259.10736	1.8
261.65591	0.9
263.08249	2.0
264.08896	2.7
265.09644	12.9
266.10498	1.3
267.07654	2.9
267.11273	5.8
268.08228	0.8
269.09189	2.8
269.12735	1.2
273.12292	1.8
277.09653	2.2
278.10330	1.8
279.07666	2.5
279.11264	4.4
281.09164	10.6
283.10727	4.2
285.09424	0.9
285.12256	4.9
287.10315	2.8
293.09177	9.9
294.09787	2.1
295.10733	8.9
296.11447	1.3
297.12271	4.1
299.10245	2.7
301.11865	1.8
305.09323	2.2
307.10770	2.8
309.08771	3.0
309.12222	1.7
311.10269	5.7
313.11816	3.2
314.12494	1.0
321.08691	6.4
323.10254	9.2
324.10843	2.1
325.11880	6.4
327.09750	1.9
327.13391	1.7
335.10046	1.0
338.12350	3.6
339.09647	3.9
339.13257	1.8
341.11365	3.1
343.13089	1.5
344.14017	1.2
351.13553	1.3
353.11285	2.6
355.13068	1.7
356.13297	6.2
357.14584	5.6
359.12552	1.6
365.11282	2.3
366.12137	1.1
369.10889	1.0
371.12390	1.5
374.14923	0.9
381.10730	1.6
383.12350	1.7
386.14923	1.2
387.15405	1.1
395.12143	2.0
397.14331	1.2
409.13992	1.6
413.13412	1.9
414.14307	1.5
421.14102	1.1
425.13162	1.9
426.14560	0.9
427.14890	1.1
428.15750	1.6
429.16925	1.5
430.17874	1.1
434.17142	1.0
437.13303	2.5
439.14746	1.7
441.12451	1.6
446.17078	1.6
447.12103	1.4
447.17630	1.1
448.18741	1.5
449.13406	1.6
453.12570	4.5
455.14044	3.8
456.15933	1.2
465.12915	4.1
467.14197	6.1
471.14017	3.1
472.18439	0.8
473.15366	1.8
474.16394	2.8
483.13895	6.0
485.15433	7.3
488.18063	1.2
490.19357	1.5
497.15909	0.9
503.16553	1.8
506.18869	1.2
516.17493	1.0
520.73267	1.1
532.20923	1.1
534.19031	0.9
544.20319	1.1
548.19934	1.1
556.21478	1.4
557.18011	0.9
566.20880	1.4
572.20215	2.2
574.21887	1.2
582.18683	2.1
588.19800	1.4
590.21014	1.6
592.22443	1.9
596.22034	2.0
600.19543	7.8
604.22723	1.4
606.21265	1.5
608.22131	5.4
618.20630	10.5
620.22223	6.1
632.22369	4.5
636.21735	27.3
637.22034	1.3
638.23248	4.5
644.22375	1.6
650.23419	6.4
652.24823	14.8
653.24207	0.9
668.24347	8.7
669.24713	1.2
680.24347	11.3
682.25488	1.6
689.25360	1.3
707.26654	3.1
712.27075	1.9
717.25330	1.4
721.28314	1.3
725.27466	3.2
735.26215	2.8
739.30115	4.3
743.29559	4.0
753.27167	3.6
757.29791	2.8
771.28534	19.9
772.28601	1.0
775.31171	1.8
785.30090	1.9
789.28522	0.9
803.30872	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	838.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70726	0.6
59.64837	0.6
60.05624	0.7
62.76161	0.6
68.05006	1.1
69.03414	1.0
70.06582	57.7
70.85605	1.5
71.04971	1.8
71.06893	0.8
75.05591	11.5
81.07045	0.8
82.06547	0.6
82.81429	0.6
83.06081	2.1
84.04491	30.4
85.02891	1.6
85.07640	1.1
91.05479	7.4
93.07008	1.4
95.04968	0.6
95.06068	3.9
96.04465	1.8
97.02823	0.8
97.07648	2.0
98.21354	0.7
101.07114	13.3
102.05518	3.5
103.05476	1.5
105.06951	0.7
107.04958	1.6
107.08615	0.7
108.42380	0.6
109.06469	1.0
112.08709	24.5
113.07111	3.9
115.08682	10.4
118.06489	1.2
119.04943	5.4
120.08087	32.2
121.10156	0.7
124.03944	2.3
124.08675	1.1
125.07066	0.8
129.06577	4.8
131.04865	1.1
132.08063	2.5
133.10147	0.7
136.07558	86.9
137.07950	0.9
140.08183	2.3
141.06570	4.5
146.05998	0.8
147.04424	2.1
148.07564	3.2
148.08630	1.4
151.05017	0.7
152.03419	4.0
152.08150	1.9
157.10826	0.9
158.09219	0.8
160.07559	0.9
161.10722	0.8
163.03857	1.5
167.08127	1.8
167.09380	0.7
169.06070	7.9
172.11148	1.1
176.06989	0.7
177.10191	3.5
181.09714	1.9
186.08731	8.0
187.07111	4.0
187.08656	1.1
193.09708	17.8
195.07698	2.0
198.08846	0.8
199.12292	0.7
200.10660	0.8
203.08119	1.1
205.09691	3.6
212.10300	1.9
213.08694	2.3
215.08228	1.6
215.11836	0.9
216.14955	1.3
217.13303	1.3
221.09222	4.2
222.12363	2.4
223.07138	1.1
238.12259	0.7
240.09659	1.3
241.08159	4.2
242.12865	3.5
244.14479	4.9
259.15530	15.9
261.12286	1.0
270.10822	0.8
280.09372	1.3
281.07678	1.4
287.15051	1.8
288.13339	0.9
297.12036	1.2
298.10181	4.2
300.13651	0.8
302.14981	0.8
303.14438	5.1
304.12839	3.0
312.00635	0.6
315.12970	1.2
316.17484	0.8
332.12515	0.8
344.17041	0.9
355.12476	1.3
360.16556	1.4
361.20111	1.0
444.23605	1.4
471.20117	1.0
472.23306	0.9
573.27838	1.8
810.38153	1.1
821.35889	2.0
838.38293	100.0
839.38434	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	838.5293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08448	1.5
61.02918	2.6
65.03911	4.7
67.05492	77.7
69.03414	4.4
69.07053	26.6
71.01348	1.6
71.04971	6.5
71.16499	4.3
77.99786	1.6
79.05477	71.5
81.03395	10.6
81.07040	86.2
83.04974	9.4
83.08601	11.7
85.02907	3.2
85.06524	6.7
87.04428	2.6
91.05460	100.0
93.07024	76.0
95.04951	16.3
95.08588	46.4
97.02876	2.9
97.06525	9.2
97.10134	6.4
99.08064	4.3
101.05982	1.6
103.05495	2.8
105.07009	91.0
107.04940	9.5
107.08572	58.6
109.06522	13.4
109.09406	3.0
109.10139	53.4
111.04369	2.0
111.08076	8.3
113.05946	2.7
115.05426	3.4
115.51299	1.4
117.07005	25.1
119.07729	3.0
119.08556	56.5
121.06506	5.2
121.10128	23.2
123.08025	5.9
123.11696	10.3
124.13973	1.6
125.09608	2.5
128.06206	4.7
129.06984	16.0
131.08540	35.2
133.06458	4.5
133.10107	95.3
135.08035	9.5
135.11656	21.4
137.09564	4.2
141.06874	2.2
142.07774	3.8
143.08554	17.5
145.06499	2.6
145.10085	26.6
147.08011	3.0
147.11655	31.5
149.09596	7.8
149.13235	7.3
151.11148	29.8
152.11421	1.4
155.08525	5.3
156.09262	1.8
157.10117	13.0
159.08026	3.7
159.11641	17.4
161.09560	5.7
161.13226	19.6
163.11140	3.4
163.14751	1.8
165.12735	1.5
167.08511	2.7
169.10057	7.3
169.12219	4.2
171.11659	18.5
173.09583	2.4
173.13214	10.5
175.11183	4.4
175.14796	10.1
177.12701	2.5
179.10596	2.1
179.14217	2.4
181.10115	2.5
183.11670	5.8
184.07338	2.1
185.13213	9.6
187.11240	2.5
187.14790	4.2
189.12700	3.3
189.16338	1.8
195.11806	2.3
195.13736	2.2
197.13284	4.6
199.14752	5.5
201.12651	2.2
201.16353	2.5
203.14236	3.1
209.13228	3.8
210.52441	1.8
213.16307	4.3
215.12685	2.6
227.17935	2.9
229.14276	2.1
231.21017	5.4
237.16322	3.3
239.17953	2.8
241.19489	17.8
245.18951	3.4
253.14307	73.4
255.17601	2.6
257.18976	3.2
259.20511	53.1
263.20047	3.6
271.15268	2.7
271.20648	2.0
273.18515	14.9
275.20038	3.6
277.21472	2.7
289.17920	2.0
291.19455	20.3
313.21298	2.1
315.22946	9.8
319.66962	1.5
333.20227	2.4
333.24191	51.0
347.22116	4.1
349.23694	1.8
365.23163	25.4
382.75540	1.7
409.30804	3.2
419.29221	2.0
437.30542	4.4
455.31415	6.3
501.35471	4.7
504.02988	1.7
511.34042	15.9
513.36450	2.8
529.35284	22.9
531.38153	5.6
549.39380	3.5
581.25311	1.7
595.43445	1.7
605.41797	8.1
623.42981	36.0
624.43420	1.7
641.43903	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	838.5293
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	3.8
67.05492	58.9
67.23174	1.0
69.03423	12.0
69.06695	2.0
69.07057	36.3
69.61287	10.2
71.04974	4.0
71.53612	1.5
79.05021	2.9
79.05480	58.1
81.03410	8.2
81.07043	52.7
83.04980	6.3
83.08604	15.3
85.02880	1.8
85.06520	2.2
86.09674	1.8
87.04429	2.5
91.05463	66.3
93.07027	57.8
95.04951	16.7
95.08001	2.1
95.08589	33.8
97.02885	10.8
97.06506	7.6
97.10151	19.4
99.08025	2.7
103.05453	2.0
105.04453	1.9
105.07012	62.1
105.07722	3.0
107.04937	10.6
107.08571	34.5
109.06519	6.0
109.10138	18.9
111.08041	3.5
115.05451	2.7
116.06199	2.1
117.06995	23.0
118.44971	1.3
119.04910	2.0
119.08557	52.4
121.06473	4.8
121.10123	19.3
123.04396	1.3
123.08040	5.3
123.11678	3.9
125.09609	14.8
128.06210	4.6
129.06990	14.1
131.08546	29.8
133.06454	5.8
133.10103	36.3
135.08044	9.2
135.11676	15.0
137.09570	2.5
137.13115	1.3
139.11172	1.5
141.06941	3.6
142.07721	3.1
143.08528	14.1
145.06384	1.8
145.10083	21.2
147.08031	6.9
147.11652	27.8
149.09590	5.9
149.13243	6.4
155.08554	5.2
157.10098	14.7
159.11674	19.1
161.09602	2.7
161.13223	20.0
163.11148	3.5
163.14796	4.1
167.08507	3.0
169.10089	7.6
171.10289	2.1
171.11658	12.0
173.13231	8.8
175.11183	2.5
175.14787	9.7
177.12730	2.9
181.10004	1.8
183.11603	6.2
184.07269	3.7
185.13208	8.7
187.14781	3.4
189.11237	8.5
189.12671	2.0
189.16312	1.8
193.12248	1.5
195.11644	4.1
195.13785	1.3
197.13199	6.0
199.14835	7.3
205.12335	2.0
209.13350	2.4
211.14734	2.5
213.16370	2.6
215.17949	2.1
223.13188	20.2
223.14973	1.7
225.16338	1.9
227.12674	6.9
227.17902	2.7
231.21039	3.9
237.16197	1.4
239.17874	3.6
241.19455	20.0
245.19048	1.8
249.14729	3.5
257.18939	4.1
259.20541	42.3
269.89682	1.4
273.18512	9.9
275.20084	8.2
277.21448	2.0
279.21207	1.5
291.19495	100.0
292.19870	2.4
297.22198	1.9
299.23581	2.3
301.21616	1.5
302.21811	1.6
315.23196	9.3
333.24173	48.8
349.23633	3.1
365.23175	35.1
379.29807	4.0
469.32272	1.5
525.35718	7.6
529.34924	3.6
531.38226	2.0
543.36768	11.7
549.39349	2.4
605.41840	5.8
623.33087	2.7
623.42975	48.4
624.43427	2.7
641.43518	4.2
715.84900	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5294
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	3.0
66.29659	1.5
67.05136	3.1
67.05493	58.2
67.88451	1.3
69.03409	4.7
69.06682	2.5
69.07056	40.8
70.90554	3.8
71.04966	2.5
79.05479	55.2
81.03414	15.4
81.07044	76.1
83.04960	10.8
83.08603	13.3
85.02902	2.3
85.06506	2.8
87.04451	4.8
91.05465	63.5
93.06434	2.9
93.07027	53.9
95.01315	8.5
95.04962	14.8
95.08595	37.1
97.02879	2.9
97.06519	30.1
97.10151	5.5
99.70966	1.4
103.05449	3.2
105.07012	78.7
107.04944	17.8
107.08572	31.7
109.06504	7.7
109.10124	13.0
111.04414	1.3
111.08080	3.1
113.09645	1.5
115.05453	2.7
117.06989	21.0
119.07729	2.6
119.08565	43.7
121.06476	6.2
121.10110	15.6
123.04399	2.1
123.08050	4.1
123.11695	3.9
125.09605	4.4
129.07002	5.9
130.07771	2.4
131.08543	31.8
133.06415	1.9
133.10109	45.8
135.08035	4.6
135.11652	12.6
137.09601	3.1
142.07741	1.6
143.08528	6.0
145.06467	2.1
145.10081	21.6
146.10770	1.5
147.07990	2.6
147.11655	20.7
149.09610	12.0
149.13246	8.9
151.11160	3.1
155.08524	4.0
157.10100	5.5
159.08060	1.7
159.11646	19.3
161.09636	3.0
161.13223	8.0
163.11154	7.7
165.09146	2.2
169.10062	2.6
171.11670	5.4
173.13290	4.7
175.14781	3.1
177.12729	5.8
179.14291	12.4
183.11615	2.6
184.07260	2.1
185.13217	2.1
187.11206	2.7
189.11269	1.7
193.12193	1.5
195.13797	4.5
197.13252	2.2
201.12704	1.6
205.12183	1.7
223.13208	2.6
227.12723	2.2
229.19606	2.7
239.18011	2.3
241.19434	1.8
247.20547	2.6
251.16454	2.6
255.15936	6.3
257.18967	9.8
259.20493	6.9
269.17432	23.7
273.18484	1.5
275.20029	74.6
276.20374	2.0
291.19467	13.1
293.21118	5.5
331.22516	3.0
333.24203	5.0
349.23679	45.6
350.24060	2.0
365.23105	5.0
367.24664	4.4
413.21472	1.7
511.34619	2.0
529.35211	18.0
543.36725	100.0
544.36530	2.4
605.42889	2.3
623.43060	26.3
641.44220	7.3
687.41370	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	838.5294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04979	1.4
65.03922	3.0
67.05493	49.4
69.03406	3.6
69.07055	35.4
70.08965	6.5
71.04966	4.0
79.05476	48.1
81.03403	12.4
81.07040	68.8
83.04967	10.6
83.08604	10.8
85.06505	3.7
85.10181	1.3
87.04436	3.7
91.05462	62.6
92.05782	1.4
93.07025	43.0
95.01308	6.9
95.04951	12.2
95.08585	34.1
97.02904	2.2
97.06512	39.1
97.10162	7.4
98.20786	2.4
99.04453	1.3
99.08062	2.1
100.15553	1.1
103.05461	2.7
105.07010	84.3
105.76524	1.0
107.04937	18.6
107.05643	1.9
107.08571	30.8
109.02854	1.6
109.06500	6.3
109.10131	12.4
111.08048	4.1
115.05377	1.9
117.06998	17.8
119.07729	2.7
119.08559	46.5
121.06467	4.2
121.10121	11.9
123.04417	2.7
123.08047	4.6
123.11696	3.0
125.09591	4.9
127.03896	1.6
128.06161	1.3
129.06987	5.3
131.08539	31.9
133.10103	48.0
135.08047	6.1
135.11682	11.2
137.09579	3.1
139.07535	1.4
141.06970	2.0
143.08510	5.3
145.06441	1.4
145.10098	21.2
147.08057	1.4
147.11661	19.5
149.09615	11.0
149.13217	7.4
151.11147	3.1
155.08495	1.5
157.10036	5.4
159.11676	15.8
161.09567	1.6
161.13217	7.2
163.11174	5.9
165.09045	1.9
165.12758	1.5
169.10133	3.9
171.11655	3.7
173.13188	6.1
175.11224	1.7
177.12701	4.3
179.14302	14.7
183.11639	3.3
184.07214	1.3
185.13156	2.2
187.11067	2.9
187.14723	1.3
189.11142	2.2
189.12648	1.4
191.14227	1.7
195.13811	3.2
197.13177	2.6
201.12665	2.0
205.12209	1.2
219.17410	1.9
227.12758	8.5
229.19435	2.8
233.19104	1.1
239.17896	4.2
247.20633	3.7
255.15796	2.0
257.18936	12.6
269.17453	8.8
275.20010	100.0
276.20267	1.7
279.15897	1.8
291.19687	1.4
293.21039	6.4
316.60742	1.3
331.22525	2.9
349.23672	66.3
358.16449	1.3
503.33090	1.6
519.32794	1.6
529.35144	20.0
543.36737	70.4
544.36646	3.9
583.39484	1.9
595.43304	1.5
605.41577	1.4
623.42914	47.4
624.42621	1.9
641.43744	8.5
687.41223	3.1
778.02820	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.53
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	2.3
66.83420	1.4
67.05180	2.6
67.05502	28.5
69.07055	18.4
70.33799	5.7
70.34171	2.8
71.04993	1.5
79.05480	33.3
81.03407	5.8
81.06602	3.1
81.07044	39.4
83.04977	6.6
83.08600	7.7
85.02908	2.4
85.06491	1.8
86.09689	4.9
91.05473	34.3
93.07030	28.5
94.07330	1.7
95.01321	4.9
95.04952	8.7
95.08591	17.6
97.06516	24.6
97.10149	12.4
98.40617	2.0
103.05479	1.6
105.06326	3.6
105.07016	53.1
107.04962	12.7
107.08582	27.3
109.06564	3.6
109.10148	9.2
117.06989	12.7
119.08568	28.1
121.06451	2.9
121.10126	7.9
123.11732	1.7
125.09629	11.4
129.06993	2.4
131.08536	17.4
133.10107	30.4
135.08037	2.9
135.11676	6.1
137.09610	2.4
139.07491	2.2
143.08601	3.3
145.10103	14.3
147.11652	15.0
147.25308	1.6
149.09612	6.9
149.13264	2.5
155.08601	1.7
157.10117	4.3
159.11685	9.5
161.13234	3.3
163.11183	3.7
171.11678	1.8
173.13205	3.8
175.11133	2.0
177.12782	3.2
179.14244	12.2
183.11543	2.2
184.07323	11.0
187.11148	2.0
187.57071	1.7
189.11255	6.0
205.12291	1.8
227.12755	23.3
239.59854	1.8
257.19022	6.8
260.08591	1.5
275.20023	84.0
293.21078	5.5
331.22433	2.3
349.23709	54.8
480.63562	1.6
519.33142	9.1
541.69183	1.8
623.42999	100.0
624.43176	3.0
641.44202	3.0
663.37189	3.2
799.24036	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	1.1
67.05489	1.9
69.03423	4.3
69.07072	0.7
69.73222	1.1
69.73624	4.4
70.06575	0.8
71.05000	0.8
72.08131	1.5
79.05463	3.0
80.04990	1.5
81.03404	2.3
81.07045	1.3
82.06554	1.6
83.04952	1.3
84.04456	0.8
85.02892	7.1
86.09679	3.6
91.05464	2.6
93.07031	5.5
93.52824	0.6
94.06546	5.8
95.04984	1.5
95.07333	4.1
95.08617	1.6
96.08120	11.6
97.02895	2.6
97.06503	0.7
103.05472	1.7
105.07022	1.6
106.06557	2.0
107.04916	0.7
107.07315	3.3
107.08576	1.2
108.04482	4.8
108.08100	10.1
109.02853	1.8
109.08898	1.1
109.10147	0.9
110.06026	2.0
110.09660	19.5
111.96819	0.6
115.05424	0.5
119.08607	0.8
120.04461	5.7
120.07207	0.8
120.08076	15.6
121.06534	1.0
122.06007	6.6
122.09679	4.6
123.04424	0.9
123.06763	0.9
124.07578	2.3
126.05531	0.7
127.03913	2.1
132.08098	0.7
134.05984	2.1
136.07564	8.4
137.05991	0.9
137.08344	2.6
137.09293	0.7
138.05496	0.9
138.09119	27.0
139.09465	0.9
144.08083	0.8
146.05998	2.4
147.04428	1.8
147.08025	0.7
148.07536	5.5
150.09131	9.2
152.07079	1.3
154.05037	0.7
154.08510	0.6
156.08197	0.7
160.07576	1.0
163.03886	1.5
164.07043	1.7
166.08607	52.4
167.06969	0.8
168.10120	0.9
172.03946	2.1
172.07555	0.8
172.39937	0.6
174.09245	1.0
175.08696	0.7
176.06970	0.9
177.05492	1.6
184.07584	0.7
186.09274	0.6
190.04977	2.0
191.14310	1.0
197.10742	0.8
199.08681	2.4
200.09207	0.7
204.06563	3.2
207.09151	0.6
209.10693	0.9
210.11638	0.7
211.08655	1.9
212.09399	1.1
213.06595	1.6
213.10207	2.0
217.09758	1.0
221.10770	1.0
223.08688	1.9
223.12303	2.2
224.09428	1.1
225.06561	1.2
225.10136	4.5
226.10982	1.7
227.08177	1.2
227.11832	2.5
232.11783	0.7
235.08669	2.4
235.12413	0.7
236.09351	3.9
237.10172	6.3
238.11014	2.1
239.08188	1.7
239.11737	4.2
240.12465	0.9
241.09775	1.7
243.11284	1.6
248.09462	0.8
249.10190	11.6
250.10889	4.1
251.08189	1.9
251.11795	14.4
251.14314	1.2
252.12607	2.5
253.09726	2.8
253.13402	2.6
255.07664	0.8
255.11227	2.0
261.10217	1.4
263.07861	0.6
263.11777	5.9
264.08966	1.5
264.12515	1.8
265.09720	3.4
265.13107	3.3
266.10364	0.7
267.11301	3.2
269.09827	1.0
269.12793	12.3
269.15424	1.0
271.10806	0.7
273.12375	1.9
275.11707	1.0
277.09763	2.2
277.12860	0.6
278.10458	0.9
279.11227	4.3
280.12152	0.8
281.09393	0.9
281.12915	2.1
282.09851	1.0
283.10773	3.9
283.13486	0.7
284.11636	0.8
285.12155	3.2
291.11304	1.7
292.11609	1.0
293.09058	2.0
293.12616	1.5
295.10727	2.4
296.11566	0.7
297.12363	5.5
298.13318	1.3
299.14069	1.9
300.14926	1.6
302.12946	1.2
303.13837	0.7
307.10825	1.3
309.12344	3.6
310.12988	1.2
311.10321	1.2
311.13928	3.4
312.15216	0.8
314.13242	1.1
314.16583	3.4
315.13889	1.1
316.14444	2.2
318.12457	1.0
318.15903	1.2
323.10233	1.4
325.12048	1.2
326.12943	1.1
326.16675	1.0
327.10303	0.7
327.13519	3.1
328.14426	1.9
329.11765	0.8
329.15552	0.8
330.12463	2.6
330.15842	1.5
331.13226	1.1
332.13922	1.5
333.14944	0.7
337.11850	1.8
339.13763	0.8
340.14670	1.4
342.12363	2.7
342.16028	1.5
343.13229	1.7
343.17282	0.7
344.13953	5.8
345.14832	2.0
346.15555	2.4
353.11441	0.8
354.12051	0.9
354.16159	1.6
355.13666	0.8
356.13889	3.3
356.17685	1.6
357.14828	3.1
358.11755	1.3
358.15512	5.7
359.12415	0.9
359.16324	2.6
360.13293	1.4
360.17169	1.9
361.14719	0.8
362.15076	1.1
367.13266	1.1
368.13870	1.0
369.14392	1.5
370.15509	2.0
371.16235	2.6
372.13376	1.3
372.17120	4.1
373.14203	2.0
374.14868	2.7
374.18912	1.3
376.16443	1.1
378.14319	1.1
382.15659	1.8
383.12793	0.7
384.12964	0.9
384.17154	4.2
385.14453	0.8
386.14954	5.3
387.15936	3.9
388.12686	0.6
388.16739	5.3
389.13925	1.9
390.18066	2.1
392.15985	1.2
398.15012	1.8
399.15503	0.7
400.16623	7.9
401.14230	1.9
402.13739	1.1
402.18607	3.1
404.15784	1.2
406.17508	2.0
410.14987	0.7
412.16290	1.9
414.14304	1.1
415.15216	1.1
416.15945	17.3
417.16541	1.9
418.17584	4.6
420.15045	0.9
428.15967	9.2
428.21542	0.9
430.17538	3.3
432.15152	1.1
434.16998	17.8
436.18582	2.5
438.14682	1.7
444.15268	5.3
446.17041	35.1
447.16888	1.4
448.18744	2.8
452.17947	4.1
454.19485	1.5
456.15366	4.4
460.18631	1.4
462.16382	7.6
464.17880	5.7
466.19644	1.1
474.16391	8.0
480.17346	4.9
492.17398	3.5
494.19281	4.0
506.19312	4.7
508.20993	0.8
512.20221	15.9
524.20367	4.6
535.23126	0.9
553.24420	2.5
563.23126	0.9
581.23950	5.8
583.25568	1.6
587.26013	0.7
599.24890	19.7
601.26489	1.2
609.23199	5.2
617.25842	5.7
619.27448	5.3
627.24426	11.9
641.26514	3.1
645.25458	47.9
646.25861	2.3
659.26825	6.9
677.28033	100.0
678.28516	4.9
684.25983	1.0
771.28516	2.7
789.29840	4.1
807.30682	19.2
810.48004	0.8
821.34009	1.0
839.33167	6.7
867.49542	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	1.2
67.05486	1.1
69.03408	3.8
69.07067	1.0
69.52698	3.5
69.53123	5.6
71.04996	1.9
72.62908	1.0
79.05464	2.8
80.05003	2.1
81.03416	1.7
81.07034	2.0
83.04972	1.0
85.02884	6.7
85.07623	0.9
87.74651	1.0
88.46101	0.9
89.02409	1.0
91.05463	4.5
93.07029	6.3
94.06541	6.9
95.04952	1.8
95.07339	4.5
95.08585	1.9
96.08121	10.7
97.02868	3.7
97.06490	1.1
103.05427	1.1
106.06541	2.9
107.04929	1.1
107.07327	1.7
108.04461	4.6
108.08109	11.1
109.02888	1.9
110.06018	1.5
110.09669	18.4
118.06499	1.0
120.04420	5.0
120.08089	15.0
122.05961	5.4
122.09641	4.9
124.07507	1.2
127.03883	1.8
134.05896	1.8
136.07523	7.2
137.08313	2.3
138.09119	26.3
138.10156	2.0
146.05988	2.4
147.04361	2.1
148.07553	6.1
150.09113	8.6
152.07076	1.9
155.39764	1.0
163.03917	2.2
164.07028	1.3
166.08609	48.0
167.07031	1.3
167.08942	1.3
172.03920	2.0
183.15742	1.0
199.08707	2.5
200.06104	0.9
204.06546	2.8
208.09781	1.3
209.10660	1.2
211.08505	2.4
211.12389	1.1
212.09462	1.4
213.10184	2.8
219.26413	1.0
221.10725	1.0
223.12347	1.3
224.09294	1.5
225.06647	2.1
225.10178	4.4
225.99718	0.9
226.10771	1.7
227.08163	1.3
227.11729	2.2
229.01225	1.1
235.08585	2.6
236.09328	2.5
237.10161	7.5
238.10960	1.6
239.08101	1.5
239.11823	4.2
241.09630	2.0
249.10170	12.0
250.10950	4.2
251.08113	1.6
251.11772	15.4
252.12544	2.6
253.09665	3.5
253.13374	2.2
255.11263	2.0
263.11880	5.9
264.12552	1.1
265.09631	2.7
265.13345	4.0
266.10574	1.3
267.11179	2.2
269.12778	14.1
271.10712	1.4
273.12320	2.3
277.09729	1.3
279.11154	4.2
281.12823	2.2
283.10675	3.6
285.12439	3.4
289.13452	1.2
291.11276	1.3
293.09180	1.2
295.10733	2.3
297.12299	5.1
298.13452	1.1
299.14020	2.4
302.13214	1.5
303.13364	1.0
306.15262	1.0
309.12323	2.7
311.13892	2.8
313.15991	1.3
314.12921	2.5
314.16565	3.7
315.13724	1.6
315.17447	1.2
316.14398	2.8
323.10110	2.2
325.11887	1.5
325.15512	1.4
327.13382	4.2
328.14569	1.8
329.11520	1.7
329.15417	1.5
330.12378	2.5
330.15988	2.2
332.13907	1.8
339.13641	1.9
340.14545	1.5
342.12277	2.2
342.16003	2.2
343.13046	1.5
343.16974	1.4
344.13916	7.3
345.14621	1.9
346.15466	2.8
354.12137	1.3
354.16068	1.5
355.13287	1.3
356.13864	4.1
356.17709	1.5
356.95374	1.2
357.14505	4.0
358.15460	5.4
359.16116	3.5
360.17035	1.9
365.16025	1.1
369.14551	1.3
370.15253	1.2
371.12402	1.8
371.16724	1.2
372.17053	3.9
373.14551	1.5
374.14645	2.1
374.18695	2.5
382.15564	1.9
384.17029	4.3
385.14795	1.1
386.15051	4.5
387.15607	4.0
388.16556	2.7
389.13617	1.7
392.15738	1.5
400.16672	8.8
402.17987	3.9
404.15698	1.7
406.17407	1.3
410.15228	1.6
412.16406	1.3
416.15967	19.0
417.15823	2.2
418.17548	4.7
428.15958	10.3
430.17557	3.5
432.15305	1.4
434.17032	18.9
436.18445	2.8
444.15527	3.1
446.17056	32.4
447.16739	1.2
448.18750	4.6
452.18106	4.4
456.15363	5.0
460.18414	1.6
462.16415	5.4
464.18243	5.0
474.16782	5.0
480.17444	4.9
494.18781	2.3
506.19391	5.3
512.20160	14.2
515.29987	2.1
524.20032	5.6
553.24194	2.0
571.25275	1.4
581.23956	5.9
583.25275	1.7
599.16040	1.6
599.24878	21.1
601.25940	2.8
609.23010	3.9
617.25922	5.9
619.27368	4.5
627.24506	15.4
628.25452	1.0
641.25653	3.8
642.24847	1.2
645.25403	51.5
646.25763	3.4
659.27185	11.0
677.28040	100.0
678.28369	6.4
771.28265	2.0
789.29523	4.6
807.30804	12.2
839.33221	3.3
851.39435	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93446	0.6
61.02888	0.8
65.03914	0.9
67.05473	1.3
69.03410	3.4
70.06570	1.0
71.04974	1.0
79.05470	2.0
80.05009	1.5
80.25392	0.7
81.03395	3.2
81.06991	0.9
82.06575	1.6
85.02908	6.6
87.04456	0.7
91.05455	3.6
93.05750	1.3
93.07030	5.9
94.06540	7.3
95.04971	1.2
95.07318	4.8
95.08597	1.3
96.08109	12.2
97.02876	3.1
97.06529	1.2
98.20575	1.5
103.05438	1.1
104.40728	0.7
105.07008	1.3
106.06551	2.6
107.07327	2.9
108.04461	4.8
108.08098	12.7
109.02881	2.2
110.06024	2.0
110.09656	21.1
111.49142	0.7
118.06487	0.9
119.08582	0.9
120.04439	6.0
120.08080	17.0
120.85390	0.7
121.06481	1.0
122.06029	4.2
122.09660	4.8
122.10398	0.7
123.08147	0.7
124.07566	2.6
127.03936	1.7
129.62152	0.6
132.08105	0.9
134.05995	1.9
136.07535	6.9
137.08328	2.4
138.05525	0.9
138.09113	28.0
145.02812	0.9
146.06047	1.4
147.04327	1.4
148.07568	5.1
150.09117	11.4
152.07051	0.8
160.07561	1.6
161.05989	0.8
162.05518	0.9
163.03896	1.3
164.07027	1.0
166.08606	48.9
167.07072	0.9
172.03935	1.9
177.05472	1.2
178.08691	0.9
185.13278	0.8
190.05026	1.2
197.06981	0.8
197.10811	1.0
198.09264	0.8
199.08647	2.0
200.10939	0.7
204.06564	2.9
204.15359	0.7
208.55208	0.7
211.08693	2.0
211.12163	0.8
212.09389	0.9
213.06445	0.9
213.10225	2.5
221.10681	1.2
223.08524	1.4
223.12199	1.4
224.09361	1.5
225.06552	1.3
225.10159	3.7
226.10925	1.1
227.11786	2.2
230.09685	0.8
235.08620	2.5
236.09401	4.8
237.10185	5.4
238.11002	2.8
239.08247	1.3
239.11742	4.9
240.12727	1.4
241.09804	1.5
243.11234	1.4
245.12822	1.2
248.09386	1.6
249.10202	11.2
250.10966	4.9
251.11751	15.8
252.12521	3.8
253.09712	3.4
253.13402	2.9
254.10483	0.9
255.11314	1.5
261.10242	1.8
262.10889	1.4
263.11765	4.6
264.12589	1.5
265.09750	2.8
265.13269	3.7
266.10553	0.9
267.11267	2.5
269.09753	1.1
269.12814	13.7
273.12433	2.4
275.11832	0.9
277.09747	2.1
277.13147	1.2
278.10342	1.5
279.11295	3.7
281.09238	1.4
281.12930	1.5
283.10837	3.0
285.12137	3.7
289.13181	0.8
291.11237	1.0
292.12100	0.9
293.12741	1.3
295.10843	1.8
297.12247	5.4
298.13391	1.3
299.14017	2.0
300.14987	1.7
301.12265	1.6
302.13013	1.3
303.13593	1.9
309.12424	2.3
310.13168	1.1
311.10638	1.2
311.13821	3.2
312.15106	1.2
313.12250	1.0
314.13007	1.6
314.16498	3.2
315.13937	1.8
316.14581	2.8
318.12646	1.1
323.10364	2.1
324.11243	0.9
325.11948	2.6
326.12869	1.1
326.16537	1.1
327.13528	3.7
327.17279	1.3
328.14496	3.1
329.11832	1.4
329.15665	1.0
330.12491	3.2
330.16095	2.6
331.13263	1.3
331.16818	1.6
332.13962	2.0
337.15454	0.9
339.13776	1.0
340.14447	2.2
341.15295	1.4
342.12390	2.5
342.16040	1.5
343.13132	1.5
344.13904	6.1
344.17654	1.2
345.14838	2.4
346.15393	2.1
354.16037	2.1
355.13394	1.8
356.13803	3.2
356.17377	1.2
357.14786	3.8
358.11594	1.2
358.15543	5.0
359.16190	2.8
360.13144	1.4
360.17001	2.7
361.15027	0.8
362.15112	0.9
368.13748	0.8
370.15656	1.6
371.12405	1.1
371.16406	2.1
372.12918	1.0
372.17035	4.5
373.14484	2.3
374.14893	2.8
374.18945	1.6
382.15543	2.3
384.17117	4.0
385.14285	1.3
386.14972	4.7
387.15857	3.9
388.16647	4.6
389.13611	1.3
390.18521	1.7
391.15979	0.7
392.15808	0.8
398.14886	1.3
400.16626	8.2
401.14139	1.5
402.18329	3.8
403.15408	1.2
404.16083	1.3
406.17554	2.2
410.14792	1.4
412.16809	1.4
414.14423	0.9
415.15298	1.2
416.16006	18.8
417.16269	1.4
418.17770	4.4
420.15152	1.1
420.20178	1.0
428.15961	8.7
429.16333	0.9
430.17636	2.9
432.15201	1.5
434.17020	16.6
436.18668	1.4
438.14325	1.6
444.15463	1.9
446.17017	34.3
447.17480	1.1
448.18692	2.5
452.18121	3.8
454.19910	1.0
456.15329	3.7
462.16293	5.3
464.18079	5.7
466.19461	1.0
474.16235	4.7
480.17548	4.0
492.17700	1.4
494.19257	4.0
506.19150	6.0
512.20154	14.1
512.27069	1.2
513.21161	0.9
515.29932	1.7
524.20117	4.7
553.24384	1.8
563.23352	0.8
571.25348	1.6
581.23804	6.8
583.25092	2.4
599.24915	21.7
601.26599	2.0
609.23096	3.1
617.25946	8.1
619.27734	4.6
627.24451	12.1
628.24500	0.9
641.26123	2.8
645.25446	49.0
646.25677	1.4
659.26807	9.9
677.28033	100.0
678.28558	3.1
735.28052	0.8
771.28302	2.1
789.29895	3.9
807.30640	14.4
839.32654	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	840.545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	2.4
60.28949	2.0
61.02913	3.5
62.90804	2.2
65.03923	4.4
67.05495	88.1
69.03419	7.8
69.07063	37.3
69.37902	23.5
71.04990	5.9
73.02904	2.8
73.91426	2.1
79.05482	74.0
81.03400	11.5
81.07044	100.0
83.04967	11.6
83.08610	17.9
85.02890	5.5
85.06531	5.4
85.10177	2.0
91.05466	78.9
92.81504	2.5
93.07030	84.6
95.04945	16.2
95.08595	61.8
97.02862	8.9
97.06522	11.5
97.10157	9.7
98.20692	3.8
103.05484	3.9
105.07021	90.3
107.04949	6.2
107.08578	52.7
107.75249	2.2
109.06501	8.6
109.10146	25.3
111.08075	7.3
115.05405	5.6
117.07016	36.2
119.08566	57.2
121.06495	4.3
121.10137	30.3
123.08060	6.6
123.11700	7.7
125.09631	7.4
127.03935	2.3
128.06186	6.4
129.06972	18.5
131.08556	40.3
131.09457	3.3
132.08989	2.3
133.06479	2.9
133.10110	47.8
135.08051	6.4
135.11647	23.0
137.09642	2.8
141.06969	6.4
142.07805	2.8
143.08553	17.9
145.10088	38.2
147.08084	2.9
147.11679	32.7
147.12753	3.8
149.09618	10.8
149.13266	14.5
151.11284	3.7
153.06932	2.6
154.07758	2.5
155.08511	14.5
157.10097	23.6
159.11658	29.8
161.09621	4.8
161.13206	18.4
163.11214	6.7
163.14775	3.3
165.09125	2.6
167.08534	5.7
168.09352	4.8
169.10106	13.0
171.11685	18.0
173.04424	4.0
173.13277	12.7
175.14807	8.0
177.12733	3.1
179.08511	2.5
179.14302	3.6
181.10127	6.9
183.11629	12.8
184.07414	3.9
185.13223	13.5
187.14827	6.1
189.12793	3.3
195.11708	9.0
195.13773	3.3
197.13255	9.8
199.14766	7.1
209.13284	6.4
211.14751	6.5
213.16368	5.0
215.14371	2.5
221.13306	3.5
223.14746	5.0
224.51971	2.3
227.12770	3.9
229.14282	3.4
231.21077	5.2
235.14790	3.2
237.16374	2.8
239.17819	2.8
241.19423	14.7
243.20842	2.4
255.15894	7.8
257.19009	4.9
259.20529	41.8
260.21051	2.6
269.17508	15.7
275.20084	16.8
297.22028	2.5
315.23239	5.2
333.24286	44.5
335.26022	2.6
349.23862	11.0
421.31351	2.7
435.32364	6.4
473.33295	3.1
509.36227	2.6
513.35559	20.3
527.37225	39.1
530.78027	2.4
531.36340	4.0
533.40027	4.7
545.38489	5.6
607.43597	26.8
608.44037	2.6
614.21539	2.4
625.44586	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	840.5453
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	5.0
65.03940	7.3
67.05132	5.7
67.05494	95.4
68.05793	2.5
69.03419	7.8
69.07060	36.8
69.66863	21.5
71.04977	5.8
73.50025	2.4
79.05480	80.5
81.03407	10.3
81.07043	100.0
83.04959	13.1
83.08614	17.1
85.02900	8.4
85.06554	4.5
91.05464	93.3
93.06435	4.4
93.07030	87.1
95.04939	15.2
95.08590	61.9
97.02866	4.6
97.06516	13.4
97.10155	12.2
99.08051	4.2
103.05447	3.2
105.07017	88.0
107.04960	9.8
107.08578	59.9
109.06511	9.3
109.10145	27.1
110.52856	2.5
111.08070	6.2
115.05457	5.8
117.07004	37.9
119.08553	65.4
121.06493	5.6
121.10123	34.7
123.08047	4.7
123.11709	9.4
124.99967	3.1
125.09621	10.7
128.06229	7.5
129.06979	24.5
130.07716	2.9
131.08551	46.0
131.09456	3.7
133.10107	55.8
135.08070	5.5
135.11684	30.3
137.09587	4.9
141.06949	6.8
142.07837	4.4
143.08548	18.8
145.10103	45.4
147.08029	5.5
147.11679	33.2
149.09639	13.4
149.13268	18.8
151.11198	4.4
155.08571	9.8
156.09329	4.6
157.10118	23.6
159.11685	35.1
161.09590	3.6
161.13246	21.2
162.76976	2.4
163.11182	9.3
165.12798	4.2
167.08563	7.5
169.10109	12.7
171.11694	23.0
173.09708	5.1
173.11896	2.5
173.13245	14.2
175.11206	4.9
175.14807	10.3
177.12753	5.2
181.10107	4.0
183.11662	14.1
184.07379	18.4
185.13231	10.0
187.14796	5.8
189.12723	4.1
191.14275	2.4
195.11719	10.3
195.13808	4.8
197.13213	12.1
199.13248	3.6
199.14752	13.6
201.12573	2.6
207.11729	3.4
209.13281	7.6
211.14857	5.8
213.16489	5.7
221.13300	3.3
223.14691	3.5
227.12863	5.3
229.14198	3.6
229.19652	3.7
231.21048	5.2
237.16420	4.1
239.17888	6.3
241.19563	17.4
255.15936	12.1
257.19040	10.3
259.20541	48.4
261.22046	3.4
267.15796	3.8
269.17438	19.1
273.18509	5.2
275.20032	31.5
276.20313	6.1
277.21371	2.9
291.19745	5.4
293.21106	6.1
309.21838	2.6
313.21619	3.9
315.23248	7.1
331.22772	2.8
333.24268	41.2
335.25974	5.3
349.23792	18.6
350.24356	2.8
351.25073	3.6
365.28354	3.4
367.24963	4.0
403.29724	2.8
435.32401	8.7
439.31586	3.4
453.33411	5.3
471.33936	2.8
508.91638	2.8
513.35577	26.8
514.35791	2.8
515.38654	7.0
527.37219	32.1
528.37531	3.2
533.39697	3.4
567.40765	4.3
607.43323	31.4
608.43530	4.1
625.44336	36.3
626.44843	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	840.5452
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	3.5
61.16422	2.0
65.03936	6.3
66.80562	2.1
67.05495	97.6
69.03416	10.2
69.07055	37.2
71.04977	4.6
71.08609	3.0
77.03926	3.9
79.05483	87.5
81.03398	7.9
81.07046	100.0
82.07382	2.4
83.04959	13.7
83.08611	14.6
85.02883	10.5
85.06516	6.6
86.09662	3.4
91.03920	2.3
91.05468	85.2
93.07032	92.3
94.07349	2.4
95.04961	17.0
95.08588	54.4
96.08901	2.8
97.02891	7.4
97.06499	13.3
97.10149	11.5
98.21436	5.9
99.08084	5.9
103.05454	3.7
105.07016	90.7
105.07726	5.1
107.04944	5.2
107.08576	44.5
109.06504	8.0
109.10150	24.7
111.08073	9.1
115.05457	6.8
117.07011	40.8
119.08562	61.6
119.43509	2.0
121.06508	4.8
121.10120	33.9
123.08046	8.5
123.11693	6.4
124.99991	3.4
125.09629	5.0
126.34988	2.6
127.03902	4.8
128.06204	5.8
129.05489	3.1
129.06978	21.3
130.07796	2.9
131.08554	46.5
133.10123	51.3
135.08061	4.2
135.11693	16.5
137.09528	3.0
139.11186	3.0
141.06927	13.2
142.07745	5.3
143.08534	29.8
143.49333	2.5
145.04840	2.5
145.06470	2.6
145.10106	47.1
147.08046	3.5
147.11670	34.4
149.09607	6.7
149.13246	15.8
151.11205	2.6
155.08527	14.6
156.09305	5.1
157.10106	24.7
159.11722	26.8
161.13251	15.9
163.11162	6.0
163.14819	4.9
165.06946	3.2
167.08549	7.0
169.10123	19.1
171.11667	25.5
173.09546	2.7
173.11775	5.1
173.13254	14.3
175.11243	2.5
175.14873	5.1
177.12677	2.6
179.08420	3.1
181.10091	7.3
183.11642	14.7
184.07344	6.6
185.13254	14.2
187.14798	7.8
189.12628	3.2
189.16345	3.5
193.10123	3.0
195.11665	10.2
195.13779	3.2
197.13257	13.7
199.14783	11.3
201.16452	3.5
209.13243	8.3
211.14868	6.6
213.16359	5.5
215.17978	3.2
219.11588	2.6
221.13216	2.3
222.86945	2.0
223.14807	4.5
225.16418	4.4
227.12663	2.6
227.17856	2.5
229.14314	4.0
231.20996	3.0
235.14764	4.7
237.16362	7.6
239.17831	3.2
241.19460	8.8
253.19597	2.8
257.18961	4.9
259.20621	22.2
261.22092	3.3
269.17456	6.6
275.20056	7.6
293.21060	5.6
297.22110	5.1
315.23047	5.3
333.24277	21.7
335.25739	4.1
339.22906	3.1
349.23920	3.0
362.42572	2.6
435.32367	3.0
471.34567	4.2
487.33768	2.5
501.35599	2.8
515.37445	3.3
517.40192	3.4
527.37543	12.2
535.41376	2.4
545.38184	3.1
591.43665	4.0
607.43506	5.8
609.45129	42.0
610.45026	3.5
625.43909	6.6
797.61249	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	840.5455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	2.1
65.03925	4.2
67.05498	66.0
67.20509	1.4
69.03433	7.4
69.07060	27.4
71.04974	5.4
77.03918	1.9
79.05484	79.1
81.03388	4.9
81.07050	65.8
83.04966	6.8
83.08607	28.0
85.02884	4.4
85.06520	4.2
86.09692	4.8
91.05469	71.8
93.07033	63.2
95.04946	9.9
95.08594	40.2
97.02907	2.0
97.06525	7.1
97.10155	35.1
99.04384	1.8
99.08031	1.7
103.05445	3.5
105.07018	70.3
105.11640	1.6
107.04938	5.5
107.08578	66.8
109.06524	7.3
109.10139	23.8
111.08082	6.5
111.11670	1.7
115.05424	3.1
116.06181	1.6
117.07018	27.2
119.07729	3.4
119.08572	54.9
121.10132	22.9
123.08075	2.4
123.11677	14.1
124.99960	3.8
125.08720	2.0
125.09615	29.8
127.03963	1.8
128.06219	5.6
129.06998	20.8
130.07779	2.6
131.08559	32.3
133.10109	40.3
135.08054	4.7
135.11673	18.0
137.09673	2.5
141.06999	7.3
142.07750	4.9
143.08543	21.4
145.10109	36.9
147.11665	30.0
149.09625	8.0
149.13297	7.2
153.06941	2.0
153.09076	2.0
155.08534	13.2
156.09326	2.8
157.10085	20.8
159.11679	23.4
161.09619	2.3
161.13237	14.1
163.11160	3.1
163.14861	2.9
167.08559	4.3
169.10101	17.4
171.10202	3.2
171.11670	22.7
173.11807	2.6
173.13213	14.5
175.14812	5.7
177.12628	2.5
179.08592	1.9
181.10097	6.6
183.11646	15.5
184.07359	10.6
185.13263	18.7
187.13264	6.8
187.14845	6.1
189.11180	18.4
189.12712	2.0
189.16272	3.2
191.14258	1.6
193.10152	3.5
195.11713	9.6
196.12384	2.3
197.13228	13.4
199.14806	10.9
201.16370	3.3
203.14410	2.2
203.17982	1.7
206.10789	1.8
207.11594	2.6
209.13293	7.5
211.14929	7.4
211.16595	1.6
213.16373	5.0
215.17996	2.8
221.13248	2.8
223.14821	3.4
225.16379	5.5
227.12750	21.9
227.17928	3.9
229.19589	2.3
232.93095	1.7
235.14905	1.9
237.16418	4.4
239.17990	5.3
241.19452	13.6
243.15823	7.2
245.13879	4.7
251.17738	2.2
253.19463	3.7
257.18994	7.9
259.20544	25.2
269.18930	1.9
273.18570	1.9
275.20120	17.1
281.22711	1.9
287.20392	1.9
295.20517	3.2
301.21484	2.0
309.21866	1.9
313.21622	2.1
315.23010	3.7
327.23294	2.2
331.22742	2.8
333.24213	30.1
339.22818	1.6
349.23734	19.2
365.28397	13.9
381.31494	4.9
383.29498	4.2
389.18018	2.4
415.29303	2.0
421.31119	2.5
439.31976	5.6
499.34320	2.0
503.33588	6.3
513.35852	12.6
515.38782	10.4
517.35272	2.0
529.35162	2.4
531.37408	1.6
533.39581	10.1
537.35419	2.2
539.36761	1.9
551.40533	4.1
589.42395	3.3
607.33704	3.5
607.43536	66.9
608.43304	2.3
611.35931	2.4
625.44598	100.0
626.44696	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	842.561
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	2.4
67.05495	100.0
69.07050	23.7
71.04980	4.3
71.71790	5.4
79.05484	55.3
81.03423	3.8
81.07047	76.8
83.04958	7.0
83.08598	14.4
86.09691	8.7
91.05466	35.0
93.07031	62.3
93.07586	4.4
95.04939	13.0
95.08590	54.7
97.06523	9.1
97.10153	5.7
99.08050	2.8
105.07017	34.2
107.04930	5.3
107.08582	37.8
109.06487	6.5
109.10139	49.1
111.08105	6.6
111.08909	2.8
117.06999	13.2
119.08561	31.1
121.10137	31.0
123.08047	5.3
123.11687	7.2
125.09647	4.7
129.07005	5.5
131.08540	18.1
133.10107	22.1
134.11819	2.4
135.08072	3.1
135.11658	17.3
137.09560	4.4
143.08513	3.6
145.10097	17.4
147.11638	14.4
147.18672	2.2
149.09615	5.6
149.13232	10.7
155.08487	3.1
157.10036	4.4
159.11734	11.8
161.13278	6.4
163.11064	3.3
163.14696	3.0
169.10188	2.7
171.11671	2.5
172.60265	2.4
173.11745	8.0
173.13258	8.4
175.14809	2.9
184.07329	15.8
185.13283	5.8
187.14772	3.3
189.11197	2.4
227.12851	7.3
229.14290	34.4
243.21010	4.7
257.19009	5.3
259.20142	2.6
261.22189	14.4
269.17441	16.1
275.19980	25.1
317.24805	4.5
333.24197	2.8
335.25784	69.3
335.29773	4.3
336.26077	2.7
349.23682	18.8
367.24686	10.9
437.34036	3.7
489.35587	24.3
529.38843	34.3
569.42029	11.2
609.45190	25.2
627.46301	15.1
843.47656	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	843.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	5.3
69.75763	6.9
69.76192	6.1
79.05488	3.0
81.07060	4.3
85.02852	1.9
89.67712	1.7
90.47271	1.7
93.00729	1.4
93.07068	2.6
95.08624	2.1
107.08652	1.9
109.10118	1.7
119.08537	2.6
130.94376	1.7
179.14383	2.1
183.16014	1.5
256.74997	1.5
281.12704	1.6
307.27991	1.8
337.28296	1.8
352.25220	1.7
385.52805	1.7
465.21567	2.2
533.27887	2.3
551.26520	1.9
757.40930	15.4
843.46503	100.0
844.46625	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	843.485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	3.8
62.59717	0.5
67.05493	5.8
69.03426	3.1
69.07068	4.9
69.97841	3.4
73.02905	3.4
79.05481	4.9
81.03408	1.9
81.07056	6.6
83.04980	0.9
83.08613	0.8
85.02898	2.9
91.03956	1.6
91.05478	4.7
93.07042	3.7
95.04983	1.1
95.08609	3.0
95.09119	0.5
97.02895	3.6
97.06516	0.7
97.10155	0.6
98.21407	1.0
99.04454	0.8
101.02383	1.6
103.03902	0.5
105.07029	4.5
107.04960	1.0
107.08558	2.7
109.02871	0.8
109.06549	0.6
109.10189	0.9
117.07005	1.6
119.08595	2.7
121.06498	0.6
121.10181	1.2
125.00022	1.5
127.03923	1.1
131.08588	1.7
133.10162	2.3
135.11673	0.8
145.10161	1.2
147.11703	0.9
159.11710	0.9
163.11230	0.7
172.80183	0.6
179.14336	0.7
184.07306	3.1
185.04352	0.6
243.08351	3.4
315.19412	1.9
331.18829	0.9
333.20386	1.2
371.22195	0.8
439.19098	0.7
466.00790	0.6
533.27289	7.9
535.28888	2.4
549.26770	2.2
551.28436	3.1
730.27985	0.6
843.48541	100.0
844.48730	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	843.5085
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	6.0
61.05955	3.7
64.63760	3.3
67.05500	40.5
69.03423	29.2
69.07045	10.6
69.53637	33.5
71.04965	4.7
71.08611	21.8
73.02904	6.0
77.70256	3.6
79.05479	46.6
81.03403	42.9
81.07047	41.6
83.04964	11.5
83.08607	13.6
85.02885	23.8
85.10153	17.4
87.57465	3.7
91.05470	49.1
93.07032	52.4
95.04951	20.2
95.08591	38.5
97.02886	25.2
97.10158	6.9
99.04468	6.0
105.07012	32.2
107.04941	10.8
107.08557	8.5
109.02843	4.4
109.10163	8.0
117.06997	14.6
119.08533	20.7
121.06481	4.2
121.10155	5.9
127.03881	14.2
129.06992	22.0
131.04887	4.3
131.08569	11.0
133.06487	6.8
133.10130	9.1
135.11604	6.0
143.08514	11.9
145.04884	3.9
145.06462	9.3
145.10107	10.3
147.08125	4.8
147.11687	23.6
157.06514	5.0
161.13242	10.4
165.98692	3.5
166.92679	4.0
168.49521	3.6
171.11656	16.6
173.04439	7.7
185.13292	4.3
189.12720	6.8
207.13799	19.8
239.23767	5.2
241.15883	4.1
259.16858	7.2
269.15408	7.7
281.17401	37.3
287.16406	10.5
313.23880	6.3
313.27344	79.8
315.15375	4.9
323.18265	4.0
361.20090	4.4
363.98755	3.9
419.56430	3.6
425.21515	7.8
493.38654	5.4
519.40405	100.0
520.40625	5.4
533.41864	5.3
599.42664	11.6
663.44434	7.6
704.27142	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	845.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	1.3
69.19379	0.8
69.35921	3.7
69.36344	6.1
79.05473	1.2
81.03419	1.3
81.07048	1.0
91.05447	1.3
92.67146	1.0
93.07052	1.1
96.69695	0.7
101.08670	0.7
118.78426	0.7
175.31648	0.8
184.07422	1.2
317.58875	1.0
551.26013	1.8
845.47986	100.0
846.48145	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	4.4
65.03925	0.6
67.05499	5.0
69.03416	2.8
69.07060	3.3
71.04994	0.5
71.71971	0.7
73.02913	3.9
75.04506	0.4
79.05486	5.9
81.03403	1.9
81.07047	6.6
83.04944	0.7
83.08617	1.4
84.81941	0.4
85.02890	4.8
87.54279	0.5
88.87570	0.4
91.03951	3.1
91.05476	4.9
93.07033	6.5
95.04956	1.4
95.08588	4.3
97.02884	5.2
97.06545	1.1
97.10154	0.5
99.04440	0.7
101.02375	2.2
105.07021	4.0
107.08585	3.3
109.02859	0.7
109.06547	0.6
109.10165	1.3
112.99996	1.8
117.07018	1.4
119.08567	2.9
121.10143	1.5
123.97038	0.3
124.99966	0.4
127.03920	1.1
129.05443	0.5
129.07010	1.0
131.08588	1.3
133.10149	1.8
135.11720	1.5
143.08536	0.7
145.10159	0.7
147.11696	1.3
149.09604	0.5
149.13332	0.7
157.10175	0.7
159.11703	0.8
161.13313	1.0
163.11174	0.5
169.02565	2.8
171.11679	0.5
175.14774	0.5
184.07390	1.6
185.04266	1.2
185.13338	0.6
243.08377	3.4
301.08868	1.8
311.25900	1.3
313.08942	0.4
315.10538	0.9
333.20386	3.5
355.13733	0.5
371.16959	0.4
373.23184	0.7
389.23126	0.5
431.24179	0.5
439.19257	1.0
453.21332	0.7
465.21185	1.3
469.20480	0.4
527.50092	0.4
535.28821	8.1
541.22650	0.9
551.28217	6.9
623.30267	1.4
651.31866	0.4
775.42523	0.5
779.89026	0.4
845.50073	100.0
846.50372	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	846.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51722	0.6
61.02900	1.7
61.31002	0.6
65.03933	0.8
67.05491	20.5
69.07053	5.2
69.47129	6.3
71.04967	0.8
73.06545	1.0
79.05480	33.3
81.03413	4.5
81.07041	18.3
83.04971	6.3
83.08616	3.6
85.02865	2.4
85.06529	1.1
91.03942	1.5
91.05466	27.3
92.05756	0.5
93.07032	31.2
95.04958	10.7
95.05518	1.2
95.08597	11.1
96.82404	0.6
97.02860	1.6
97.06499	1.7
97.10158	1.7
97.84463	0.6
99.14439	0.5
104.78171	0.6
105.04521	1.6
105.07017	21.8
107.04953	3.5
107.08576	9.6
109.06495	3.4
109.10146	2.0
111.08047	1.1
117.06993	4.5
119.08562	11.8
121.06483	1.9
121.10127	2.1
123.08047	2.7
123.97564	0.5
127.07545	0.9
128.06190	1.4
129.06975	8.0
130.07768	0.8
131.08553	1.6
133.10101	5.2
135.11623	1.2
141.09058	0.6
141.59863	0.6
143.08528	4.4
145.10112	5.1
147.08051	1.5
147.11658	15.4
156.09261	0.9
161.09657	2.3
161.13245	6.2
163.11278	1.0
171.11661	15.6
171.13048	1.0
171.94948	0.6
181.04172	0.6
189.12743	5.3
207.13777	12.2
225.14815	1.4
263.16318	0.9
281.17441	38.4
282.17935	1.2
469.29489	3.0
487.30496	100.0
488.30740	5.5
567.33105	1.2
844.34540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04983	1.4
61.02921	3.6
65.03932	1.3
67.05135	1.1
67.05499	22.2
69.03404	1.7
69.07058	5.0
69.37207	0.5
71.01336	1.0
71.05000	2.8
73.02914	1.0
73.06534	1.4
79.05485	37.3
81.03407	9.2
81.07047	24.6
81.07532	0.9
83.01331	3.4
83.04974	10.1
83.08610	7.5
85.02901	6.3
85.06533	2.2
87.04485	0.5
91.03938	2.2
91.05469	29.6
93.07034	37.1
94.07367	0.8
95.04958	13.0
95.08596	12.7
97.02891	3.0
97.06521	3.7
97.10171	1.5
99.04459	1.1
103.05461	0.8
105.04507	0.7
105.07017	21.7
107.04933	6.8
107.05570	0.7
107.08575	12.1
109.02855	0.8
109.06505	5.2
109.10161	3.1
111.04430	0.9
111.08040	0.9
115.05441	0.6
117.07001	7.8
119.08572	14.6
121.06481	2.3
121.10143	4.3
123.08058	6.1
127.03912	0.6
127.07514	0.9
128.06218	2.0
129.06990	8.7
129.07854	0.8
130.07779	1.2
131.08549	2.3
133.06424	0.6
133.10138	4.6
135.08061	1.6
135.11658	5.2
139.07507	0.6
143.08536	4.6
145.02785	0.5
145.05008	0.7
145.10110	10.9
147.08031	2.6
147.11668	17.1
150.57657	0.5
153.12733	1.3
153.55821	0.5
155.08577	1.1
156.09340	0.7
161.09647	2.2
161.13231	5.1
163.03954	0.6
163.06053	0.9
163.11174	11.1
171.11673	10.9
173.09627	1.8
173.27800	0.6
177.05455	1.7
181.12233	0.8
189.12704	5.1
191.10672	1.2
207.13771	13.2
208.14148	0.5
209.11743	1.9
227.12798	1.7
265.14395	2.2
267.15912	0.7
281.17453	40.5
282.17630	0.8
283.15378	28.1
325.19946	0.5
427.19501	0.5
471.27347	7.2
489.28448	100.0
490.28589	4.5
633.32404	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	1.7
69.03416	2.0
69.07054	0.9
71.04990	1.1
73.71296	0.7
75.04485	0.8
79.05480	2.3
79.31195	0.5
80.05017	0.8
81.03387	3.4
81.07044	1.3
85.02894	2.8
91.05479	2.4
93.07057	2.5
94.06581	2.5
95.04959	1.2
95.08588	1.2
96.08138	0.7
97.02848	1.6
103.05425	1.4
105.07053	1.1
107.04930	0.7
107.07330	1.4
107.08590	1.3
108.04468	0.8
108.08109	5.5
109.02878	1.1
109.06480	0.7
109.10131	0.9
110.09702	1.7
110.99848	0.6
117.06998	0.7
118.06543	1.4
119.08566	0.9
120.04395	1.3
120.08072	3.3
121.10159	1.3
122.05986	3.7
122.09666	3.3
124.07558	0.7
127.03897	0.8
132.08051	0.7
133.10115	0.9
134.09645	1.8
135.04408	1.2
135.06787	0.7
136.07538	8.6
136.11185	1.1
137.05972	1.7
138.05508	1.5
138.09114	4.7
145.02832	1.0
146.06030	2.2
147.04364	1.2
147.11649	0.9
148.07576	2.7
150.09123	4.4
152.07036	1.6
152.10701	1.7
160.03972	1.0
160.07652	0.6
162.05569	2.1
162.09097	1.2
163.03926	2.9
164.07079	2.3
164.10666	0.8
166.08612	12.5
168.10152	1.6
172.03931	3.7
174.05444	0.9
177.05510	1.5
180.10207	2.4
182.11775	1.9
190.05011	2.1
194.08241	0.9
196.09895	1.1
204.06552	5.7
208.09778	0.8
210.11345	1.0
222.11375	1.1
223.08847	0.9
225.10216	3.3
227.11864	2.5
233.10670	0.7
235.08673	1.6
236.09352	1.6
237.10156	4.3
238.10843	0.8
239.08093	1.1
239.11853	1.6
241.09795	1.4
241.13275	0.7
249.10182	5.7
250.11018	1.3
251.08069	3.2
251.11850	2.6
252.08759	1.0
252.12552	0.8
253.09846	2.1
253.13315	1.1
255.11252	1.6
257.04434	1.5
258.05225	1.3
263.08267	2.4
263.11810	1.3
264.09058	2.9
265.09769	4.9
265.13382	1.0
267.08224	0.8
267.11362	2.1
269.12939	2.2
271.10785	0.7
277.09662	5.2
278.10504	1.9
279.07986	1.4
279.11353	4.3
281.09210	1.7
281.12823	1.0
283.10883	1.0
285.12442	1.1
286.04681	5.3
287.05426	1.5
287.14011	2.2
289.09967	0.8
291.07706	2.4
291.11090	1.6
292.08432	1.7
293.09265	6.3
293.12695	1.7
295.10721	1.4
297.12369	2.3
305.09213	3.7
307.10858	1.8
309.12360	0.8
311.10443	1.5
311.13754	1.2
313.12091	0.8
319.10840	0.7
323.10364	2.7
325.11823	2.9
327.13489	0.8
328.14505	1.0
333.08771	2.5
335.10037	0.7
337.07782	0.7
337.11658	3.1
338.12766	1.0
339.13583	2.0
341.15012	1.3
342.16043	1.0
351.09824	1.0
353.11261	0.7
353.15146	2.3
354.12219	1.4
354.16141	1.5
355.12897	1.1
356.13828	1.1
357.14514	0.9
365.11371	5.8
366.12024	0.9
367.13104	1.4
368.13690	0.9
369.14279	1.0
370.15594	1.8
371.16104	2.2
380.13721	2.0
381.14526	0.7
382.11353	0.9
382.15686	1.0
384.12970	1.3
384.17337	1.1
385.14340	1.0
396.13165	1.3
397.13800	3.1
398.14935	1.8
399.15820	2.0
400.16837	1.2
407.12369	0.8
410.14948	1.3
411.15540	1.1
414.18488	1.3
416.15881	1.0
425.14029	0.9
428.16187	1.0
430.17783	1.0
432.19437	0.9
438.14517	0.9
446.16843	1.3
452.16135	0.8
458.16977	1.8
468.15375	0.7
470.16974	2.1
472.18655	1.4
479.17120	3.1
490.19620	2.0
497.17984	5.6
502.20062	1.1
518.19312	1.2
527.16583	1.7
532.20813	0.8
533.21680	1.4
550.22058	2.0
560.20453	0.9
564.23529	1.4
565.24255	1.2
574.21893	0.8
590.21759	0.9
602.21100	1.6
616.22626	1.5
623.25653	0.9
634.23584	3.8
637.26385	0.9
644.22357	1.1
650.26898	1.2
655.27728	2.2
662.23438	6.0
664.25171	0.8
666.26587	0.9
694.25928	24.0
695.26770	3.4
712.27100	1.1
726.28546	100.0
727.29419	14.4
755.29401	1.0
785.30005	4.5
817.32159	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.5236
Annotation	Unknow
Peak:m/z	Relative Intensity
61.90139	0.2
67.05492	4.1
69.07055	3.5
70.17652	1.0
71.08617	11.2
75.04480	0.2
79.05466	0.6
81.07039	5.6
81.68525	0.3
83.04931	0.3
83.08602	3.7
85.06530	0.3
85.10165	7.5
88.18693	0.2
89.06010	0.7
91.05450	0.4
93.07034	0.7
95.08591	7.1
97.10136	2.0
98.78403	0.2
99.08069	0.4
99.11693	0.3
103.07542	0.6
105.06969	0.3
107.08601	0.3
109.10139	4.1
112.99994	70.2
113.32755	0.3
119.08469	0.3
123.11674	1.1
131.01016	0.7
135.11638	0.3
137.13281	0.3
147.11594	0.3
151.01550	0.3
154.02603	0.8
156.84398	0.2
169.02582	100.0
170.02945	0.7
184.07289	0.6
187.03625	2.3
239.23653	1.9
257.24747	0.5
268.16870	0.2
275.20145	0.2
288.22687	0.2
313.27307	48.9
314.27585	1.3
394.32559	0.2
407.25507	20.5
408.25616	0.5
520.92218	0.3
807.45898	0.3
849.52948	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
60.47028	0.5
65.03924	4.9
67.05479	1.2
68.05002	0.6
69.03403	0.9
69.07050	0.9
69.72034	2.9
70.06583	24.4
71.08617	3.7
72.08121	1.0
75.02351	0.7
79.05462	1.1
81.07050	1.0
82.07332	0.6
85.10184	0.8
88.07616	30.5
91.05458	0.8
93.03369	0.6
93.07015	0.9
95.04932	1.8
95.08572	0.6
100.07574	0.8
102.08501	1.1
102.09165	22.3
105.03366	0.9
109.10099	0.7
111.04449	0.7
119.08538	0.5
121.02834	3.4
122.29666	0.5
131.04877	1.2
133.02876	0.7
139.03893	3.7
139.06519	0.5
146.11748	0.5
147.04388	1.5
149.02321	100.0
149.03378	5.6
150.02704	1.0
175.03873	2.6
176.13974	0.5
177.05444	2.2
184.07372	1.0
190.32658	0.5
191.06989	1.2
193.04941	50.2
194.05293	0.8
212.23813	0.7
219.06607	2.8
237.07564	11.0
256.26315	76.1
257.26706	2.4
269.04565	1.2
297.03973	0.9
300.29123	2.2
313.07065	1.3
341.06476	4.7
343.08060	1.0
359.07626	1.9
385.09097	7.6
411.10739	0.9
429.11798	2.2
533.10864	1.3
577.13422	10.0
578.14307	0.6
621.06244	1.2
621.15955	16.2
622.16315	1.0
832.38855	2.0
850.39899	89.7
851.40198	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	850.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	1.8
59.22333	0.2
61.02920	5.7
61.03221	0.6
62.62014	0.2
64.08775	0.3
65.03911	0.3
66.60524	0.2
67.05495	7.8
69.03415	1.7
69.07053	2.3
69.50246	2.1
71.01336	1.2
71.04982	2.6
73.02892	2.1
77.03934	0.3
79.05480	12.4
81.03407	8.4
81.07042	11.8
81.81314	0.3
83.01326	6.8
83.04974	7.6
83.08604	7.7
85.02892	9.6
85.06499	0.7
87.04421	0.3
91.03938	4.5
91.05466	8.8
93.07030	16.1
95.04409	0.3
95.04951	4.8
95.08589	4.7
96.04447	0.3
96.34604	0.2
97.02325	0.4
97.02872	4.8
97.06511	3.6
97.10104	0.9
99.04427	1.9
99.08072	0.3
101.02338	0.3
103.05437	0.5
105.07018	6.8
107.04942	5.6
107.08575	9.2
107.32256	0.3
109.02831	0.4
109.06496	4.9
109.10126	1.4
111.04433	2.1
111.08057	1.2
115.03865	0.3
115.05407	0.4
117.06994	4.8
119.08566	6.3
121.06481	2.2
121.09279	0.3
121.10123	5.4
123.04402	0.5
123.08054	6.7
125.05965	1.3
125.09573	0.8
127.03888	1.8
129.05437	0.5
129.06941	1.1
130.07742	1.1
131.04901	0.3
131.08548	2.2
133.10104	1.8
135.04355	0.6
135.08054	1.3
135.10608	0.4
135.11668	9.0
137.09572	1.0
138.87170	0.3
138.88353	0.2
139.07515	0.4
143.08620	0.5
145.04919	1.6
145.06409	0.7
145.10098	12.0
147.07994	1.4
147.11632	0.4
149.05904	0.4
149.09550	0.9
153.12703	2.2
155.08578	1.3
163.03917	1.6
163.06015	2.0
163.11156	18.8
164.11461	0.4
173.09584	2.6
181.12189	2.4
191.10660	1.9
209.09872	0.5
209.11699	4.8
227.12738	3.1
259.09595	0.4
265.14410	0.4
268.85672	0.3
283.15356	100.0
284.15692	1.8
297.73230	0.3
473.25113	0.3
491.26343	55.8
492.26743	2.6
539.15363	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	6.6
65.03931	2.4
67.05495	38.6
69.03415	3.8
69.07057	10.8
69.96935	4.8
70.27044	1.0
71.04974	4.4
73.06524	1.3
76.16483	1.1
77.03906	1.3
79.05481	57.0
80.81056	1.1
81.03403	44.6
81.07046	41.9
81.07429	0.9
81.07531	1.5
83.04965	17.8
83.08616	19.4
85.02893	17.9
85.06533	3.3
91.03948	2.7
91.05465	51.5
91.06033	2.5
93.06427	2.7
93.07027	55.7
95.04958	29.5
95.05536	0.8
95.08588	22.4
95.72313	1.0
96.35328	1.1
97.02892	7.1
97.06513	5.9
97.10146	4.2
98.99886	1.2
99.08028	2.0
105.04523	1.5
105.07016	36.9
107.04927	9.0
107.08571	18.9
109.02843	1.4
109.06502	7.8
109.10149	4.0
111.04432	2.9
111.08057	4.5
113.06006	1.6
115.05413	2.3
117.06996	5.9
119.08559	24.9
121.06448	2.7
121.10117	8.1
123.08042	5.9
123.11661	1.4
125.09599	1.2
128.06230	1.6
129.06987	16.8
131.08565	7.5
132.21880	1.2
133.06459	2.4
133.10095	12.9
135.11674	2.7
142.07790	2.1
143.08572	8.2
145.10124	6.5
147.08032	5.7
147.11673	35.7
149.05898	1.5
149.09590	4.3
157.10095	8.3
159.11719	1.6
161.09622	3.9
161.13251	7.0
163.03903	4.2
163.11150	1.7
165.12686	2.2
171.11667	17.7
175.11115	7.8
189.12717	8.8
193.12221	22.7
207.13785	23.6
211.13260	26.8
211.15193	2.2
267.15884	35.4
268.16125	1.3
281.17432	90.8
285.16940	24.2
286.17267	1.5
292.91788	1.2
473.28928	100.0
474.29153	3.5
491.29971	88.2
492.30319	5.2
635.34088	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	850.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72964	0.8
61.02908	5.0
65.03926	2.8
66.77467	0.9
67.05493	46.6
69.03408	4.0
69.07058	12.6
69.71963	2.3
69.72368	3.2
71.04984	5.7
73.02893	2.2
73.06527	1.6
79.05479	63.5
81.03402	46.9
81.03812	0.8
81.07039	43.1
82.07345	0.9
83.04965	20.3
83.08603	16.0
85.02889	18.4
85.06532	3.4
87.04471	0.8
91.03934	3.5
91.05461	63.4
93.07027	59.8
95.04951	34.5
95.05585	1.4
95.07999	1.3
95.08591	21.0
97.02882	6.3
97.06515	7.3
97.10145	4.2
99.04431	0.9
99.08094	1.3
102.02908	0.9
103.05447	1.3
105.04488	2.0
105.07009	43.6
107.04921	11.6
107.08571	16.1
109.06505	8.3
109.10107	4.7
111.04460	1.1
111.08052	6.9
113.05978	1.6
114.73654	0.7
115.05427	1.6
116.94604	0.7
117.07001	7.7
119.08553	31.1
121.06474	3.4
121.10120	8.8
122.56260	0.7
123.08041	5.5
123.11653	1.7
123.65418	0.8
125.09594	1.2
127.03882	2.3
128.06187	3.0
129.06978	20.2
131.08524	9.0
133.06471	3.7
133.10094	16.1
133.11021	1.6
135.08133	0.8
135.11627	2.0
137.09569	1.7
141.06888	1.0
141.09082	1.0
142.07742	2.8
143.08507	7.4
145.04912	1.1
145.10098	8.3
147.08061	4.2
147.11655	35.5
149.09602	4.6
151.12798	0.7
157.10110	11.0
159.11754	0.9
161.09578	3.5
161.13226	8.0
163.03879	5.9
163.05983	1.2
163.11172	2.2
165.12727	2.4
171.11664	20.1
175.11150	8.3
189.12741	7.3
193.12215	25.3
207.13777	21.5
207.15367	0.5
211.13268	27.0
212.13551	1.0
225.14778	1.2
249.14902	1.9
259.09421	0.9
267.15863	34.7
268.16150	1.0
281.17426	95.7
282.17871	2.4
283.15445	1.0
285.16888	24.6
447.27142	1.7
455.27884	1.5
473.28925	100.0
474.29239	4.2
491.29968	84.3
492.30356	3.8
635.34088	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	6.4
65.03930	0.6
67.05491	3.9
69.03419	3.9
69.07056	0.9
71.01332	0.5
71.04977	0.5
73.02905	4.3
75.52924	0.3
77.07594	0.4
79.05482	5.3
81.03403	3.3
81.07049	3.8
83.04976	1.4
83.08614	0.7
85.02895	7.0
91.03941	3.4
91.05464	5.1
93.07027	4.9
95.04980	1.5
95.08574	2.4
97.02879	5.8
98.20724	0.7
99.04444	1.3
101.02367	1.9
102.68793	0.4
105.07009	3.8
107.04916	0.7
107.08590	1.7
109.02877	1.5
109.06538	0.7
109.10169	0.7
109.41319	0.4
117.07022	0.6
119.08568	1.7
121.10140	0.6
123.08076	0.6
125.09577	0.4
127.03910	1.6
129.07018	1.3
131.08540	0.5
133.10130	1.0
135.11638	0.4
143.08629	0.8
145.10132	1.1
147.08067	0.5
147.11650	3.1
161.13278	1.5
171.11665	2.4
176.06096	0.4
185.04279	0.7
189.12750	0.6
198.82193	0.4
203.05194	0.6
207.13803	0.9
215.72987	0.4
243.08415	2.5
247.13063	2.0
281.17456	0.6
303.15689	1.0
347.09445	2.7
363.08762	0.5
365.10693	1.0
405.13571	7.0
405.18280	0.7
465.20871	17.1
466.21405	0.6
586.98541	0.4
627.26141	12.4
628.26233	0.8
659.36200	0.5
689.35150	1.7
757.38446	0.4
851.40198	100.0
852.40295	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	852.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	6.5
65.03924	0.6
67.05490	12.1
69.03422	3.2
69.07051	3.8
70.06635	0.7
70.07026	1.5
71.01341	0.6
71.04975	3.3
73.02902	2.4
75.62112	0.3
77.03921	0.3
79.05476	16.3
81.03400	33.8
81.07039	17.8
83.01324	3.5
83.04962	11.0
83.08096	0.5
83.08602	15.4
85.02886	19.8
85.06519	1.1
86.14576	0.4
87.04420	0.4
91.03944	4.7
91.05460	18.2
93.07027	16.2
95.04949	15.3
95.08583	6.5
97.02875	6.4
97.06500	3.2
97.10146	2.2
98.21382	0.5
99.04432	1.7
99.08052	0.8
103.05447	0.6
105.07007	12.2
107.04946	5.9
107.08571	9.2
109.02869	0.6
109.06497	4.8
109.10129	2.0
111.04401	2.2
111.08054	5.0
113.06002	1.8
115.03908	0.5
115.05386	0.7
117.07012	4.1
119.04847	0.4
119.08556	11.9
121.06507	2.0
121.10120	7.3
121.90348	0.4
123.08037	4.5
123.11689	0.6
125.05965	0.8
125.09602	1.5
127.03876	1.7
129.06987	6.3
130.07758	1.0
131.04878	0.5
131.08545	5.5
133.06479	1.1
133.10109	6.3
135.08058	0.9
135.11646	5.7
137.09581	1.8
139.07507	0.4
142.07777	1.1
143.08461	0.5
145.04901	1.8
145.06480	0.5
145.10095	8.1
147.08017	2.2
147.11650	7.1
149.05981	0.3
149.09601	3.2
153.12743	1.6
155.08493	1.0
157.08841	0.7
157.10091	7.1
163.03893	2.3
163.05939	1.7
163.11150	11.7
163.66391	0.3
165.12741	1.7
173.09604	1.4
175.11163	7.0
181.12222	1.4
191.10670	1.6
193.12206	22.0
194.12636	0.4
197.01372	0.3
209.11681	2.8
211.13248	33.4
212.13670	0.6
223.66968	0.4
227.12698	2.3
238.89925	0.3
249.14955	0.5
259.09549	0.4
265.14243	0.6
265.50797	0.3
267.15833	8.0
283.15341	35.5
284.15683	0.9
285.16910	27.0
286.17255	0.8
320.78497	0.4
353.51614	0.3
359.02264	0.4
383.22000	2.0
401.23135	1.0
457.25781	4.1
458.26050	0.5
475.26846	15.3
493.27872	100.0
494.28183	4.7
637.31317	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	9.3
65.03932	2.9
67.05498	30.7
69.03419	7.2
69.07059	8.3
69.66769	3.8
69.67182	0.9
71.04988	7.2
73.02908	3.3
74.38167	0.6
79.05016	1.2
79.05485	32.3
81.03409	100.0
81.07046	36.6
82.03752	0.7
83.04971	21.3
83.08611	36.9
85.02895	46.8
85.06535	2.3
86.03261	0.6
87.04477	0.6
91.03942	6.0
91.05472	45.2
93.07033	22.8
93.07642	0.6
95.04956	40.8
95.08591	12.9
95.09571	0.6
97.02878	10.1
97.06523	6.7
97.10159	6.4
99.08089	1.8
105.07016	32.1
107.04951	9.9
107.08578	9.9
109.02879	1.1
109.06519	6.9
109.10136	4.3
111.04425	3.9
111.08070	14.5
113.06007	3.4
115.05454	2.7
117.06993	1.8
119.04881	1.0
119.08569	25.6
121.06490	2.6
121.10132	15.0
123.08056	4.4
123.11691	2.9
125.06003	1.1
125.09569	2.9
127.03901	2.1
127.07572	1.1
128.06221	1.0
129.06984	15.5
131.08548	18.4
133.06462	5.3
133.10110	17.2
135.08054	0.7
137.05997	0.7
137.09628	3.1
142.07762	4.8
145.04944	1.4
145.06419	1.0
145.10098	3.1
146.57092	0.6
147.08000	5.4
147.11665	24.1
149.09590	10.8
151.11165	1.0
155.08542	0.6
157.10110	22.1
158.10489	0.6
163.03931	1.6
163.06050	2.0
163.11186	1.6
165.12740	5.0
175.11168	23.8
176.11441	0.8
177.05461	0.6
193.12221	64.4
194.12613	1.5
211.13269	86.1
212.13617	1.4
216.15878	0.6
227.12679	0.7
249.14751	1.5
267.15887	43.8
268.16068	1.2
273.15033	0.8
285.16934	76.4
286.17392	2.6
367.22726	3.0
385.23618	4.9
403.24594	2.3
433.25879	2.4
441.26468	1.0
459.27414	29.2
460.27676	2.0
477.28424	30.4
478.28665	2.1
495.29492	83.5
496.29764	6.0
560.57715	0.7
639.33575	1.1
707.04956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5241
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	1.0
65.03927	3.0
67.05492	48.8
69.03418	10.9
69.07057	37.0
69.64593	8.1
71.04988	4.6
72.33781	0.9
73.69247	1.0
74.46498	0.8
75.75951	1.0
79.05476	39.2
81.03407	10.0
81.07042	51.3
83.04964	7.6
83.08605	10.9
85.02882	2.7
85.06535	3.6
91.05461	37.9
93.07025	37.4
95.01315	1.3
95.04948	14.8
95.08585	23.0
97.02878	9.5
97.06510	12.0
97.10149	14.9
98.20642	0.9
99.08031	1.7
103.05460	2.2
105.06328	2.1
105.07006	28.6
107.04935	8.7
107.08575	26.4
107.09278	1.0
107.14307	0.9
109.02852	1.9
109.06477	6.4
109.10134	11.4
111.04345	1.1
111.08084	4.7
115.05429	2.0
116.06196	1.4
117.07001	13.6
119.04906	2.0
119.08566	19.6
121.06489	5.1
121.10133	12.3
122.10519	1.0
123.04450	1.2
123.08056	4.9
123.11678	2.0
125.09612	11.2
128.99298	1.0
129.06981	5.9
131.08545	16.5
133.06433	4.5
133.10106	18.4
135.08047	5.4
135.11679	8.3
137.09628	3.0
141.07002	2.2
142.07693	2.0
143.08551	5.3
145.06421	1.6
145.10083	14.2
147.08025	5.5
147.11658	7.9
149.09570	8.9
149.13188	5.6
151.11166	2.6
153.09023	1.3
155.08537	2.1
157.10106	3.2
159.08052	1.6
159.11671	9.6
161.09583	3.5
161.13232	2.1
163.11159	7.0
165.09164	1.4
169.10101	2.6
171.11633	3.7
173.04469	1.2
173.13260	3.5
175.11162	2.3
177.12692	3.4
179.14349	1.6
181.12202	1.5
183.11668	2.5
184.07393	1.4
185.13222	1.1
187.11224	1.3
187.14787	1.6
189.11209	4.9
189.12691	1.3
193.12163	1.8
195.13870	4.7
197.13251	1.6
198.42601	0.9
201.12749	1.0
205.12190	1.2
211.13191	1.4
211.14923	1.1
223.13232	15.8
227.12718	9.6
229.14287	1.2
229.19455	1.9
229.98659	1.0
233.15202	1.3
239.17783	1.4
247.20508	1.1
249.14812	4.0
251.16342	1.2
253.14355	4.3
255.15735	6.0
257.19009	6.3
261.14676	0.9
263.19901	1.2
267.15866	2.3
269.17413	14.6
273.18423	15.3
275.19989	19.8
291.19479	100.0
292.19904	2.4
293.21051	2.3
309.20615	1.4
331.22690	2.4
347.22052	3.3
349.23672	16.5
350.24356	1.3
365.23178	40.6
365.27802	2.1
366.23401	1.1
367.24750	2.2
461.28918	1.9
541.34845	3.3
545.34601	15.0
559.36194	36.9
599.39764	1.6
621.41467	1.6
639.42462	20.1
657.43048	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	854.5243
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02880	1.0
63.79966	0.6
65.03912	2.8
67.05494	44.4
68.61862	0.6
69.03040	0.7
69.03410	9.6
69.07056	33.4
69.84056	1.0
69.84459	3.3
71.05002	3.7
77.03926	0.7
79.05479	42.9
80.05814	0.7
81.03403	8.7
81.07042	53.0
83.04968	7.2
83.08606	12.7
84.73953	0.7
85.02876	2.3
85.06516	2.6
86.09695	0.6
87.33236	0.6
91.05464	36.1
93.07028	39.9
94.07320	0.7
95.01321	0.6
95.04951	12.3
95.08588	20.7
97.02874	8.9
97.06514	9.7
97.10149	14.0
98.20697	1.3
99.04442	1.4
99.08053	2.2
103.03925	0.6
103.05429	1.1
105.07010	27.5
107.04931	9.7
107.08575	26.3
109.02876	1.1
109.06503	6.0
109.10143	13.8
111.04417	0.8
111.08060	4.4
115.05444	2.0
116.06183	0.9
117.06998	13.1
119.04936	1.1
119.07724	1.4
119.08557	19.3
121.06493	4.9
121.10123	12.6
123.04417	1.3
123.08057	4.0
123.11661	2.8
125.09613	10.3
127.03846	1.6
127.07510	0.9
128.06212	1.6
129.05472	0.8
129.06956	4.9
130.07773	1.7
131.08545	15.9
132.70964	0.8
133.06468	3.1
133.10104	20.9
134.07225	0.8
135.08037	5.8
135.11667	7.5
137.09560	3.4
139.07489	0.6
141.06935	1.4
143.08536	6.2
145.06464	1.9
145.10109	10.5
147.08020	5.5
147.11658	8.3
149.09587	7.3
149.13232	8.8
150.09904	0.7
151.11140	4.3
153.09100	1.0
155.08504	2.0
156.09244	0.6
157.10112	5.4
159.08037	1.4
159.11661	9.7
161.09558	3.9
161.13251	2.6
163.11200	5.5
165.09073	1.6
165.12712	0.7
169.10110	2.5
169.12198	1.0
171.10248	0.9
171.11664	3.7
173.04449	1.1
173.09541	1.3
173.11766	0.8
173.13261	2.6
175.11116	3.2
175.14819	0.9
177.12695	4.3
179.10654	0.8
179.14270	1.7
181.12181	1.2
183.11653	2.2
184.07349	1.9
185.09534	0.6
185.13153	1.5
187.11188	1.2
189.11194	5.7
189.12691	1.3
193.12169	1.2
195.13733	5.9
197.13112	1.5
201.16380	0.7
203.14359	0.9
205.12172	2.6
211.14922	0.8
213.14761	1.2
223.11055	1.0
223.13235	17.3
227.12753	8.8
229.19498	1.4
231.17392	0.7
233.15382	0.8
235.16829	0.7
235.60085	0.7
239.17952	1.5
245.18944	1.9
247.20638	1.3
249.14734	3.7
253.14258	9.5
255.15677	7.1
257.18970	5.4
263.20004	1.6
267.15891	2.5
269.17450	24.1
270.17838	0.8
273.18420	17.4
275.20004	16.6
291.19489	100.0
292.19720	3.2
293.21011	1.9
301.21671	0.8
309.20529	1.2
321.24146	0.9
331.22623	0.9
333.24170	0.6
347.22171	3.5
349.23660	12.0
365.23178	44.2
366.23386	1.4
367.24597	2.8
413.21411	1.3
461.29013	1.7
465.28406	1.3
477.28647	1.3
479.29858	0.8
485.32587	0.9
519.33246	1.0
527.33618	0.9
541.35132	3.8
545.34729	14.5
559.36206	62.4
560.36731	4.1
583.36200	0.8
621.41132	1.2
639.42462	12.9
640.42773	1.0
657.43195	3.1
703.40485	0.9
847.39191	0.8
854.47449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	1.0
65.03918	2.7
67.05495	44.2
69.03417	11.3
69.07056	35.0
70.77599	1.6
71.01344	1.0
71.04430	0.8
71.05005	4.3
79.05483	41.9
81.03396	9.8
81.07045	43.9
83.04958	7.9
83.08121	0.5
83.08607	13.7
85.02886	3.2
85.06534	1.9
91.05464	35.8
93.07029	35.9
95.04948	11.6
95.08589	22.6
97.02870	9.8
97.06517	13.5
97.10153	18.9
99.04433	0.8
103.05450	1.6
105.04565	0.8
105.07011	30.0
105.07714	1.8
107.04932	11.9
107.08571	28.9
109.02876	1.3
109.06508	5.7
109.10143	14.6
111.04432	1.5
111.08053	3.3
113.09620	1.0
115.05447	2.7
117.06994	12.8
119.04916	1.4
119.08559	24.3
121.06490	5.2
121.10130	10.0
123.08031	4.5
123.11705	3.1
125.09617	15.4
127.03889	1.8
128.06216	1.8
129.07016	5.6
130.07735	1.1
131.08549	16.8
131.09467	1.5
133.06477	3.5
133.10110	18.6
134.07234	1.0
135.08060	5.9
135.11659	6.5
137.09592	3.7
141.06976	1.5
143.08514	4.2
144.09389	1.0
145.06442	1.3
145.10094	13.5
147.08005	5.9
147.11662	8.7
149.09584	9.4
149.13231	6.6
151.11125	3.5
153.09077	1.7
154.07730	0.9
155.08565	1.8
157.10144	4.7
159.08023	0.8
159.11697	9.4
161.09619	3.0
161.13235	3.1
162.10350	1.1
163.11125	7.5
165.09100	2.2
165.12718	0.9
169.10117	2.4
171.10260	1.5
171.11684	3.7
173.04410	1.0
173.13293	2.9
175.11188	3.4
177.12750	4.2
179.14308	2.2
180.08698	0.7
181.10187	0.7
181.12209	1.2
183.11755	1.9
184.07359	1.1
185.13292	2.1
187.11067	1.2
187.14806	1.5
189.11201	8.8
189.12692	1.2
189.60376	0.8
193.12241	1.0
195.13817	2.9
197.13226	2.3
199.14830	1.4
201.12714	1.4
201.16335	0.7
203.14355	1.3
205.12233	1.8
215.14342	1.4
215.17998	1.3
219.55284	0.9
221.15395	1.0
223.13242	16.7
227.12747	21.5
227.17760	0.8
229.14281	0.9
229.19499	1.4
233.69150	0.8
239.17964	3.3
245.13643	0.9
245.18929	1.7
247.20671	1.3
249.14755	4.2
253.14374	6.2
253.18045	1.0
255.15869	3.4
257.18939	7.1
263.19995	1.5
267.15863	1.9
269.17395	10.9
273.18445	15.6
275.20007	27.7
276.20587	1.3
289.17880	1.2
291.19495	100.0
292.19864	2.8
293.21033	1.9
309.20792	1.1
331.22684	3.0
347.22159	3.0
349.19562	1.5
349.23703	23.9
365.23184	40.6
366.23355	1.5
367.24826	1.3
413.21683	1.3
423.23712	1.8
449.30023	0.8
461.28986	1.5
519.33069	2.3
535.32471	2.7
541.35181	2.1
543.37054	1.9
545.34619	9.4
559.36243	30.2
560.36578	1.5
621.41003	2.1
639.42432	31.2
640.42523	2.1
657.43402	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	6.4
65.03916	6.5
67.05497	100.0
69.03412	10.6
69.07063	42.0
71.04668	2.0
71.04990	21.6
73.06532	4.7
75.74136	1.8
77.03923	2.0
79.05482	92.5
81.03423	14.3
81.07043	94.6
83.04995	9.5
83.08600	17.4
85.02904	11.1
85.06519	6.3
91.05467	93.6
93.07032	92.3
95.04948	20.2
95.08591	62.6
97.02869	5.8
97.06512	16.7
97.10149	6.6
98.21498	3.3
99.08081	7.8
103.05460	4.9
105.04503	2.5
105.07013	89.1
107.04945	9.9
107.08577	49.9
109.02813	2.2
109.06491	9.2
109.10131	20.5
111.08053	6.7
113.09625	4.0
115.05435	6.1
117.06999	44.3
119.08562	64.3
121.06500	6.2
121.10134	29.0
123.08041	7.4
123.11686	6.3
125.09606	6.6
127.03875	3.4
128.06207	6.8
129.06984	27.2
130.07758	3.5
131.08554	47.5
131.39389	2.3
133.10112	45.1
135.08038	6.5
135.11662	17.3
137.09550	5.1
141.06949	8.1
141.79118	2.0
142.07748	7.6
143.08553	28.5
145.06415	3.2
145.10106	35.3
147.07996	3.9
147.11667	31.6
149.09613	12.8
149.13249	7.3
151.11136	4.3
154.07834	2.7
155.08522	15.5
156.09370	3.3
157.10091	26.3
159.08020	2.3
159.11671	27.9
161.09599	4.4
161.13213	12.7
163.11188	10.9
163.14880	2.1
165.06880	2.1
165.12733	2.7
167.08508	6.8
169.10115	16.1
171.11670	22.5
173.04407	4.6
173.13234	16.5
175.11166	5.9
175.14796	3.5
177.12788	3.4
179.08568	2.7
179.14256	2.6
181.10094	6.4
183.11708	14.2
185.09645	3.0
185.13240	16.0
187.11230	2.2
187.14812	5.9
189.12878	2.3
189.16475	2.7
193.10036	2.5
195.11710	8.8
195.13626	2.5
197.13263	13.1
199.14816	7.1
201.16394	3.5
203.14291	2.7
207.11691	5.5
209.13281	7.7
211.11194	2.2
211.14832	4.9
213.16389	3.3
221.13249	3.8
223.14816	5.5
225.16313	3.4
227.17976	2.5
237.16212	2.6
239.17966	3.6
241.19524	10.1
257.18915	5.5
259.20569	19.3
269.17340	2.8
275.20050	20.1
315.23175	5.3
319.22446	2.5
333.24289	21.7
349.23795	12.3
417.30841	2.5
421.30606	3.2
435.32477	7.1
487.32886	2.3
495.34216	2.9
509.36340	2.8
513.35730	22.1
515.38092	5.2
525.35565	2.9
527.37238	35.6
529.38727	2.5
533.39594	4.2
551.40814	2.7
607.34973	2.8
607.43671	28.6
625.44623	19.2
639.45850	6.9
689.42279	3.9
790.56769	2.6
816.23944	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	856.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	3.5
65.03925	7.5
67.05496	84.1
69.03416	9.6
69.07063	39.2
69.84260	19.4
71.04974	12.6
71.08625	3.1
79.05483	75.8
80.05824	4.3
81.03402	13.8
81.07044	100.0
83.04964	13.3
83.08607	17.8
85.02876	6.4
85.06543	8.0
86.09666	4.6
91.05470	77.8
93.07034	72.6
94.07367	3.2
95.04958	17.3
95.08594	52.1
97.02897	8.6
97.06522	17.9
97.10150	8.8
99.08090	4.7
105.07016	75.8
106.07367	5.3
107.04929	13.1
107.08583	55.4
109.06480	7.8
109.10133	26.0
111.08064	5.8
115.05490	3.7
117.06999	29.1
119.08557	43.8
121.06470	6.8
121.10127	30.3
123.08047	5.2
123.11689	7.2
124.99991	3.7
125.09575	7.6
129.06982	12.4
131.08551	36.7
133.06453	5.5
133.10118	49.1
135.08046	9.0
135.11710	23.7
137.09624	5.5
141.06938	4.0
142.07777	3.9
143.08566	16.3
145.10107	32.1
146.10370	3.5
147.11655	24.4
149.09631	15.7
149.13254	10.1
151.11176	6.2
157.10100	10.7
159.11671	21.3
161.13243	11.3
163.11133	12.5
166.93263	3.6
169.10117	12.0
171.11665	12.5
173.11894	4.6
173.13266	8.2
175.11151	4.4
175.14871	3.1
177.12740	4.5
181.10010	3.7
183.11623	9.3
184.07297	8.7
185.13243	11.2
189.11237	3.9
195.11694	3.4
195.13748	7.2
197.13231	6.0
199.14690	4.0
209.13336	3.4
211.14867	3.9
212.09253	3.0
213.16489	3.3
218.27187	2.9
227.12730	4.6
227.20099	3.7
237.16293	3.5
239.18045	4.1
241.19475	9.9
247.20662	4.1
253.14268	8.9
254.14638	5.0
255.15807	5.1
257.18973	11.4
259.20590	15.7
269.17358	21.5
273.18469	5.9
275.20084	28.8
291.19543	9.0
293.21161	6.4
333.24173	16.8
349.23938	16.8
351.24603	3.2
367.24463	3.9
435.32050	4.1
449.28928	5.8
463.30426	5.2
513.35345	12.4
527.36945	9.0
543.36462	7.3
607.43219	8.0
625.44824	8.3
856.49585	9.8
857.46698	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	856.54
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	3.5
61.56213	1.6
63.67472	1.6
65.03918	4.4
67.05497	91.8
69.03415	15.9
69.07062	42.0
70.08156	2.2
71.04979	8.3
73.02908	2.3
79.05485	100.0
81.03403	15.3
81.07046	98.8
83.04974	18.4
83.08607	38.3
85.02877	7.8
85.06521	6.1
86.09721	2.3
87.04439	1.7
91.03935	4.3
91.05468	71.4
93.03350	1.8
93.07034	75.6
95.04964	14.2
95.08592	37.7
97.02876	5.0
97.06523	17.8
97.10154	66.8
99.04443	2.1
105.04517	2.1
105.07017	72.2
105.07719	3.7
107.04959	17.4
107.08582	97.3
108.85954	1.5
109.02845	3.3
109.06500	9.7
109.10146	26.2
111.08075	5.6
115.05423	2.7
117.07001	27.2
119.04933	2.0
119.08569	44.7
120.08885	1.6
121.06470	6.2
121.10129	18.8
123.08048	4.2
123.11662	7.9
125.09611	51.3
127.03905	6.6
128.06197	3.7
129.06992	6.9
131.08556	34.4
133.06526	2.3
133.10112	36.1
135.08063	9.8
135.11676	18.7
137.09595	4.6
139.11136	1.8
141.06950	4.1
142.07730	2.1
143.08556	10.2
145.04918	2.1
145.06395	2.9
145.10104	39.1
147.08014	4.0
147.11678	20.6
149.09602	23.0
149.13205	12.1
151.11099	3.8
153.09079	5.5
155.08537	6.2
157.10094	10.0
159.08043	2.4
159.11671	23.2
161.09598	2.9
161.13219	9.1
163.11174	11.0
163.14738	2.2
165.08966	2.2
167.08588	1.7
169.10107	5.8
171.07977	1.9
171.10161	5.5
171.11668	9.3
173.09560	2.3
173.11806	2.9
173.13264	11.4
175.11183	3.4
175.14767	1.8
177.12782	4.7
179.14285	5.7
181.10016	2.5
181.12221	2.6
183.11629	4.8
184.07330	6.9
185.13271	3.7
187.11169	2.0
187.13202	2.6
187.14781	4.5
189.11203	38.1
189.12849	3.2
193.12294	1.8
195.11746	3.6
195.13771	5.2
197.13234	5.1
199.14693	1.6
201.12769	1.8
205.12181	1.7
209.13417	2.3
211.14836	3.9
213.16356	4.6
223.14807	2.1
227.12743	83.3
228.13150	1.7
229.14178	1.7
229.19455	3.3
239.17918	5.3
243.15732	1.7
245.13872	8.7
247.20596	3.9
255.15742	11.7
257.18954	19.8
261.22086	2.4
269.17438	19.7
275.20038	89.3
289.21735	1.7
293.21097	4.8
301.21616	2.1
313.21564	2.0
331.22641	6.4
349.23676	74.5
350.24069	2.0
367.24442	2.5
389.17847	2.9
397.22437	4.6
425.25372	2.8
427.86081	1.9
433.30667	3.0
439.26898	8.5
449.29056	2.4
451.31454	2.0
501.31918	3.1
503.33136	3.5
511.34396	2.3
519.33136	13.2
525.35315	5.3
529.35352	14.0
531.38422	1.7
543.36743	54.7
544.36847	2.3
561.37567	2.2
583.30884	2.6
605.41864	3.5
611.09973	2.0
623.34515	2.2
623.43140	30.4
624.42883	3.2
641.44299	12.5
663.36945	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	856.5396
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	3.4
65.03921	4.7
66.04736	1.3
67.05494	93.6
67.17705	1.2
69.03410	11.8
69.07058	48.3
70.15500	7.2
70.29732	1.2
71.04986	6.5
71.08620	1.9
72.57794	1.1
73.02892	2.3
77.03912	1.6
79.05481	78.1
80.05785	1.3
81.03403	16.8
81.07044	100.0
83.04971	13.1
83.08601	24.1
85.02866	7.8
85.06528	5.7
85.77423	1.3
86.09679	2.8
87.04420	3.9
89.06024	6.2
91.05467	78.9
93.07030	72.0
94.94382	1.2
95.04398	1.8
95.04951	21.4
95.08001	2.5
95.08594	49.1
97.02850	7.1
97.06509	24.9
97.10155	16.8
99.04427	2.6
99.08065	4.8
103.05437	2.9
105.04460	1.7
105.07014	69.5
107.04928	13.7
107.08576	58.0
109.02878	2.0
109.06508	10.6
109.10135	20.4
111.04440	2.3
111.08063	5.6
113.05957	1.4
113.09622	2.0
113.59415	1.3
115.05430	4.4
115.07539	2.0
117.06999	29.4
118.07809	1.7
119.08559	41.4
121.06482	6.2
121.10121	22.4
123.04371	1.4
123.08032	5.1
123.11691	7.2
125.06014	1.2
125.09608	17.0
127.03891	3.5
128.06184	3.0
129.05486	2.0
129.06993	11.1
130.07767	3.1
131.04932	1.4
131.08545	38.6
133.06468	3.9
133.08583	2.5
133.10103	35.4
135.08035	9.3
135.11673	20.6
137.09592	4.9
139.07529	1.5
139.11186	1.4
141.06964	4.8
142.07726	2.1
143.08545	12.1
145.06427	2.2
145.10095	30.2
147.08032	5.7
147.11659	22.7
149.09601	21.5
149.13219	13.3
151.11145	3.5
153.07036	1.3
153.09055	1.8
155.08504	6.3
157.10095	11.9
159.08035	2.7
159.11670	20.6
161.09602	3.7
161.13217	8.1
163.11148	12.7
165.09035	1.5
165.12744	3.9
167.08514	2.4
169.10136	8.3
171.10277	2.3
171.11650	9.0
173.09581	2.4
173.13239	9.8
175.11137	2.8
175.14854	1.9
177.11333	1.5
177.12732	5.9
179.08488	1.5
179.14247	3.8
181.10132	5.2
181.12137	3.2
183.11661	6.7
184.07358	6.0
185.13213	4.6
187.11185	3.9
187.14786	4.3
189.11172	10.8
189.12782	2.9
193.10097	1.7
193.12178	1.7
195.11774	2.8
195.13789	7.5
197.13208	6.1
199.14848	3.5
205.12151	1.4
209.13197	3.5
211.14839	2.8
217.15887	3.2
220.13223	1.4
221.13197	1.9
225.16437	1.7
227.12692	18.7
227.14761	1.5
227.17914	2.4
227.20067	10.4
229.14172	2.0
229.19458	4.7
239.17894	6.6
245.13858	2.6
247.20598	5.0
253.14221	2.0
255.15820	14.4
257.18958	16.4
258.19321	1.4
259.20514	2.0
267.15842	3.7
269.17413	31.9
273.18539	2.1
275.20029	58.0
275.23050	2.9
291.19476	2.5
293.20990	6.4
299.19864	1.4
301.21573	2.0
309.20627	1.6
311.20148	1.5
331.22546	4.5
333.24036	2.5
343.17053	1.3
349.23688	47.5
355.26239	1.5
365.23459	1.8
367.24637	4.6
423.28275	1.6
431.28064	2.6
433.49826	1.5
439.26566	1.8
445.29614	1.8
447.31036	1.8
449.28964	12.7
451.32355	1.6
463.30524	13.7
503.33972	2.4
519.33301	3.5
525.35535	4.7
527.36835	2.9
529.35455	11.3
543.29047	2.4
543.36768	30.3
547.36517	1.8
561.37512	3.5
583.39526	2.0
623.42993	11.4
628.56696	1.4
641.44080	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	856.5397
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65443	1.1
61.02919	2.1
65.03920	4.4
67.05495	82.7
68.05793	1.3
69.03422	10.2
69.07058	38.3
71.04987	6.8
73.02905	1.7
79.05481	71.4
81.03402	14.6
81.07043	100.0
82.07403	1.3
83.04966	13.9
83.08608	18.7
85.02895	6.4
85.06511	5.2
87.45250	1.1
91.05468	59.0
93.07030	75.9
95.04959	17.8
95.08588	42.0
97.02874	6.0
97.06517	19.7
97.10146	12.0
99.04431	3.7
99.08076	5.7
103.05449	2.0
105.07013	50.1
107.04944	10.2
107.08577	49.7
109.02864	2.7
109.06487	9.4
109.10129	19.1
111.04424	1.4
111.08048	11.0
113.09639	2.4
115.05406	2.5
116.06247	1.2
116.28146	1.2
117.07002	22.8
119.07725	2.1
119.08562	33.7
121.06507	7.4
121.10111	26.2
123.08018	7.7
123.11707	6.5
125.09624	10.4
127.03860	3.9
128.06212	3.1
129.05455	3.3
129.06963	8.8
130.07800	1.4
131.08549	28.0
133.06476	3.3
133.10104	37.6
135.08022	9.1
135.11676	27.8
137.09599	4.9
139.11143	1.7
141.06944	3.9
142.07797	1.8
143.08565	8.6
144.09315	1.8
145.06435	1.2
145.10091	23.7
147.08023	3.4
147.11671	16.7
149.09590	19.6
149.13223	23.3
151.11188	4.6
155.08516	4.1
157.10109	8.5
159.11684	20.3
161.09526	3.1
161.13242	8.0
163.11163	12.2
163.14856	1.7
165.12753	2.6
167.08513	1.3
169.10048	6.1
171.08017	1.1
171.10281	2.0
171.11668	6.4
173.04436	5.1
173.09549	2.0
173.13249	10.5
175.11143	3.5
175.14714	2.0
177.12738	6.9
179.14275	6.2
181.10132	2.1
181.12212	4.4
183.11705	3.2
184.07300	2.8
185.13222	4.3
187.11174	3.3
187.78700	1.5
189.11194	5.8
189.12715	2.1
195.11824	2.7
195.13785	11.6
197.13222	5.8
199.14883	2.0
201.12811	1.2
201.16319	1.1
203.14253	1.9
209.13243	2.6
213.14799	3.4
213.16547	1.4
215.17896	2.1
227.12740	14.5
229.14281	1.4
229.19498	2.7
231.17439	1.1
233.15431	1.9
235.16997	1.6
239.17984	4.2
242.60147	1.1
245.13704	2.5
247.20547	4.6
253.14311	2.3
255.15860	20.1
257.18948	14.5
259.20419	1.9
267.15906	4.2
269.17429	64.7
270.17807	2.5
273.18481	1.6
275.20029	65.1
277.21530	1.3
292.19800	2.0
293.20966	7.8
299.19992	1.5
303.15915	1.5
313.21576	1.4
321.24338	2.3
323.23505	1.3
331.22537	5.0
349.23685	50.4
350.23993	1.5
365.23465	2.2
367.24771	10.0
380.55920	1.3
413.21609	2.4
423.27762	1.2
431.28131	1.3
433.30734	3.2
435.27249	3.8
439.26825	1.5
445.29581	3.1
447.30927	1.5
449.28961	33.1
449.35260	2.2
463.30478	49.0
464.30914	1.4
497.35727	1.4
515.36621	1.7
525.28522	1.4
525.35553	8.6
527.37280	1.3
529.35425	11.5
543.36731	55.0
544.37140	2.7
547.36389	3.0
561.37762	9.4
568.27924	1.4
607.33789	2.3
623.43414	5.4
641.43585	4.1
643.81531	1.2
687.40131	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.7
65.03928	4.6
67.05497	84.2
68.05831	1.4
69.03419	11.2
69.07062	47.6
69.54978	7.3
71.01372	1.3
71.04990	7.8
73.02891	1.4
77.03927	2.0
79.05483	80.3
81.03407	14.5
81.07045	100.0
83.04976	17.1
83.08608	21.6
85.02897	7.2
85.06544	5.9
86.09712	2.1
88.56223	1.1
91.05469	67.9
93.07033	76.9
95.01325	1.8
95.04956	17.8
95.08593	46.3
97.02876	6.1
97.06515	23.2
97.10154	21.0
99.04408	1.8
99.08091	3.6
103.05465	2.7
105.07015	55.4
107.04945	14.5
107.08580	60.8
109.02865	3.8
109.06508	10.2
109.10141	22.7
111.04424	2.1
111.08087	8.7
113.05972	2.1
113.09622	3.0
115.05446	2.1
117.07007	29.1
119.04848	1.1
119.08567	38.0
120.05672	1.1
121.06492	6.3
121.10128	22.7
123.08048	7.2
123.11690	6.9
125.00008	1.7
125.09618	22.9
127.03906	4.7
128.06212	2.1
129.05505	2.5
129.06978	11.8
130.07790	2.0
131.04935	1.1
131.07785	0.6
131.08543	32.7
133.06487	3.6
133.10110	37.4
135.08051	7.3
135.11678	21.0
137.09576	5.4
139.07516	1.2
139.11208	2.5
141.06996	5.0
143.08536	10.0
145.06479	3.1
145.10107	29.5
147.08014	2.7
147.11670	20.7
149.09602	21.9
149.13229	17.5
151.11165	4.4
153.09125	2.2
155.08556	6.9
157.10100	10.0
159.08055	2.6
159.11676	24.1
161.09619	3.9
161.13205	7.6
163.11147	14.2
163.14845	1.8
165.12804	2.4
167.08583	1.4
168.09348	1.3
169.10129	7.4
169.12146	1.2
171.10176	3.0
171.11674	8.3
173.04428	3.3
173.09618	2.2
173.11801	1.8
173.13197	11.0
175.11194	3.7
175.14818	2.0
177.12698	6.1
179.10657	1.5
179.14291	6.3
181.10107	3.1
181.12274	3.7
183.11604	5.5
184.07391	5.5
185.13249	4.4
187.11200	3.6
187.14839	3.8
189.11198	13.5
189.12762	2.4
191.14389	1.7
195.11841	2.7
195.13823	8.6
197.13165	5.9
199.14847	2.4
201.12724	3.6
201.16304	1.4
204.36958	1.0
207.11728	1.3
209.13232	2.2
211.14906	2.4
213.12791	1.5
215.17987	1.4
217.15895	1.5
219.13821	1.5
221.13344	1.4
225.16292	1.4
226.07123	1.0
227.12756	31.6
229.14319	3.7
229.19495	3.8
233.15379	1.9
235.16910	1.4
239.17900	7.6
245.13826	4.2
247.20569	5.6
253.18063	2.2
255.15846	16.0
257.18997	17.2
267.15988	3.3
269.17435	42.8
273.18649	1.6
275.20026	72.1
276.20505	1.7
279.15933	1.2
293.21066	7.8
297.22110	1.2
313.21490	1.4
331.22598	5.1
349.23688	64.8
350.24106	1.7
367.24786	5.0
389.18341	1.2
413.21570	2.1
415.29678	1.6
423.27350	2.4
425.25363	1.3
427.26950	1.2
431.27798	2.7
433.30737	1.8
435.27454	1.9
439.26837	3.2
445.29504	3.8
449.29001	12.9
451.31799	3.6
461.28931	1.6
463.30508	20.3
469.33157	1.8
487.33948	2.0
499.34338	1.4
503.33536	3.3
511.34512	1.9
515.37415	1.3
519.32904	4.5
525.35699	4.9
527.37103	1.8
529.35254	12.5
543.36737	53.2
544.37354	2.9
547.36182	2.2
561.38019	7.4
593.42450	1.2
595.43378	1.7
605.41217	1.3
607.34650	1.5
623.43066	16.3
641.44086	9.0
687.40515	1.4
864.42651	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5397
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	4.7
65.03928	6.6
67.05495	85.4
68.05845	2.7
69.03426	10.3
69.07061	32.8
69.59201	13.2
71.01351	2.4
71.04964	8.9
71.08648	3.5
73.02904	4.2
79.05482	67.7
80.05807	1.6
81.03403	14.5
81.07042	100.0
82.07365	4.6
83.04965	14.6
83.08610	15.9
85.02894	7.0
85.06538	5.7
87.04428	1.9
88.53148	1.9
91.05469	70.2
93.07029	71.4
95.04955	17.9
95.08595	47.3
97.02882	7.1
97.06516	16.9
97.10155	8.1
99.04444	2.1
99.08079	6.7
103.05451	2.6
105.07011	55.7
107.04942	10.1
107.08579	42.9
109.02840	2.1
109.06504	7.6
109.10143	20.7
111.04414	3.1
111.08067	5.8
115.05435	4.0
117.07004	24.1
119.08556	41.4
121.06525	8.0
121.10128	22.7
123.08065	6.4
123.11669	5.8
125.09622	5.9
127.03901	3.4
128.06207	4.5
129.05460	2.3
129.06972	12.1
130.07759	1.7
131.08548	31.2
131.09468	2.9
133.06487	5.0
133.10106	41.3
134.10454	4.3
135.08028	7.8
135.11653	19.4
137.09615	6.3
139.11101	2.1
141.06969	4.0
142.07712	2.0
143.08568	16.3
145.10092	24.9
147.08040	3.2
147.11653	25.9
149.09607	15.5
149.13234	15.8
151.11168	7.2
152.11491	2.0
155.08545	5.7
157.10092	12.6
159.11664	20.1
161.09613	3.3
161.13228	8.3
163.11157	6.6
165.12694	2.5
167.08475	2.8
169.10117	7.6
171.11674	9.8
173.04468	1.8
173.13257	9.6
175.11160	4.1
175.14793	3.6
177.12688	8.8
179.14304	2.4
181.10149	1.7
181.12161	2.8
183.11659	5.7
184.07388	3.5
185.13255	3.9
187.11139	2.2
187.14771	3.5
195.11739	2.9
195.13834	7.1
197.13272	4.7
199.14836	4.4
201.16385	2.1
202.15877	3.4
203.14546	2.0
207.09811	1.8
209.13225	2.3
211.14774	3.0
213.16359	2.6
219.13834	2.1
227.12715	3.5
229.19498	3.7
231.17403	1.9
239.18011	3.2
241.19456	6.0
245.19029	1.8
247.20663	2.4
253.14339	11.6
254.14679	5.7
255.15782	7.8
257.18967	5.6
257.49323	1.7
259.20529	14.5
267.15781	3.5
269.17416	28.3
273.18353	2.8
275.20050	24.1
291.19537	3.4
293.21106	10.0
297.17133	2.0
299.20233	1.9
300.13464	4.2
315.23187	3.0
321.24261	2.0
333.24152	13.7
349.23758	12.3
365.23370	3.8
367.24786	6.3
421.30899	2.3
449.29086	4.3
463.30652	8.6
491.20642	1.9
501.35385	2.5
509.35568	2.2
513.35822	3.7
527.37146	14.1
543.36755	5.9
545.38165	3.0
547.35425	2.6
559.36102	2.8
560.36377	2.7
561.37378	6.7
607.43207	4.6
625.43903	3.2
641.43207	2.0
773.26324	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5397
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	4.2
65.03931	6.2
67.05492	100.0
69.03423	11.8
69.07052	46.4
69.53027	6.6
69.53455	12.2
69.84347	1.9
71.01332	3.0
71.04974	8.2
71.08620	3.4
74.39948	2.0
77.03890	2.4
79.05479	89.7
81.03403	17.5
81.07040	99.5
82.07385	2.4
83.04958	20.0
83.08613	19.9
85.02897	8.1
85.06515	6.8
86.09691	2.2
91.05463	94.9
91.06039	4.6
92.05804	3.2
93.07030	87.4
94.07355	2.5
95.04944	21.8
95.08585	58.3
96.08874	2.6
97.02882	10.1
97.06509	20.9
97.10151	14.2
99.04466	3.2
99.08076	6.4
103.05497	2.7
104.06221	2.1
105.07008	77.3
106.07349	2.5
107.04937	13.4
107.08575	47.0
109.06518	11.6
109.10138	28.8
111.04376	2.2
111.08076	9.8
111.63915	2.0
113.09631	4.2
115.05453	4.0
116.06239	2.5
117.06993	40.2
119.04952	2.6
119.08556	52.9
119.37237	2.0
119.46985	2.0
120.08887	2.4
121.06483	8.4
121.10117	28.8
123.08049	6.7
123.11681	5.7
125.08780	1.9
125.09577	9.7
127.03906	5.6
128.06197	2.8
129.05469	3.6
129.06967	24.0
131.08545	42.1
133.06503	4.4
133.10100	42.0
135.08026	9.0
135.11679	21.0
137.09590	8.4
139.11140	2.5
141.06967	6.6
142.07777	3.4
143.08525	18.2
144.09454	2.2
145.04967	2.6
145.10086	34.4
147.08035	5.4
147.11665	29.3
149.09599	13.5
149.13223	10.3
151.11180	6.4
155.08540	10.1
157.10100	16.4
159.11682	25.1
161.09581	4.6
161.13245	16.2
163.11172	10.6
163.14816	2.3
167.08551	4.5
168.09277	2.5
169.10109	10.8
171.07993	1.9
171.11644	16.6
173.09612	2.9
173.13234	12.9
175.11186	4.3
177.12659	3.2
179.14288	4.3
181.10146	3.3
183.11676	10.0
184.07359	7.3
185.13228	5.9
187.11166	2.6
187.14778	4.8
189.11208	5.8
195.11656	5.7
195.13786	6.0
197.13242	8.3
199.14803	6.2
207.11644	2.4
209.13268	3.8
211.14841	3.9
213.16469	3.4
225.16443	3.4
227.12700	8.3
229.14296	4.8
229.19527	3.4
239.17917	3.8
241.19569	5.1
247.20445	3.2
253.14352	5.5
254.14656	3.6
255.15860	3.2
257.15799	2.2
257.19025	6.7
259.20544	14.8
267.15881	2.6
269.17398	17.6
273.18564	2.7
275.20044	29.2
283.20239	2.1
291.19601	2.9
293.21130	8.6
297.22076	2.0
315.23154	3.1
331.22321	2.6
333.24197	14.7
349.23624	16.7
353.24582	2.1
367.25061	2.5
369.30435	2.1
449.28821	3.9
463.30692	2.9
503.33286	2.7
513.35400	11.6
515.37384	2.3
527.37292	11.0
543.36670	6.8
607.43292	6.7
625.44427	8.1
641.43542	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	858.5555
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08150	5.2
62.54603	1.8
65.03915	4.9
66.07961	1.9
67.05495	100.0
69.03405	4.9
69.07053	21.5
69.53456	18.6
71.04975	4.6
71.07355	4.1
74.59930	2.0
79.05483	62.6
81.03390	5.0
81.07041	62.1
83.04949	7.3
83.08610	15.6
85.02882	2.0
85.06503	4.3
86.09702	26.1
91.04921	3.6
91.05467	58.3
93.07027	64.8
95.04926	6.7
95.08593	36.9
97.06496	7.3
97.10151	9.8
98.44852	1.8
99.08167	1.9
103.05479	2.8
105.06332	3.9
105.07012	60.0
107.04930	6.8
107.08573	38.2
109.06473	2.9
109.10131	51.7
111.08016	3.5
117.07000	23.8
119.08559	49.2
121.06437	2.5
121.10117	25.0
123.08058	2.7
123.11645	4.9
125.00001	12.8
125.09628	9.6
127.03867	2.6
128.06169	2.8
129.06972	11.0
130.07779	2.3
131.08542	27.0
133.10109	42.0
135.08015	5.2
135.11682	13.2
137.09547	4.5
141.06917	4.2
142.07806	2.1
143.08517	12.5
145.10077	25.9
147.11661	32.2
149.09567	4.8
149.13255	10.3
155.08507	3.7
155.10612	2.3
157.10106	14.1
159.11653	19.4
161.13223	19.1
163.11154	4.5
163.14786	3.9
167.08478	3.0
169.10074	6.0
171.11647	12.1
173.11687	11.1
173.13249	10.6
175.14758	8.2
181.10098	2.8
183.11624	6.9
184.07306	70.3
185.13271	9.1
187.14729	4.4
189.11230	3.2
189.16376	2.3
195.02220	2.0
195.11703	2.4
197.13213	5.6
199.14833	7.7
201.16336	3.5
209.13249	2.6
211.14700	3.5
213.16508	2.1
223.14674	2.9
227.12784	9.7
229.14322	30.2
231.21072	3.8
239.17924	4.3
241.19559	17.3
243.21179	3.0
257.18787	4.8
259.20535	46.4
261.22104	3.0
263.55807	2.2
269.17462	8.3
273.18506	2.2
275.20010	18.0
293.20981	3.3
297.22040	2.4
300.62027	1.9
315.23096	4.5
325.97293	1.9
333.24213	44.7
335.25897	2.0
349.23694	9.9
351.25375	2.6
365.27859	2.2
367.24921	12.9
395.29233	2.8
435.32315	4.1
487.34128	11.7
505.35144	17.6
513.35339	4.5
515.38153	4.3
527.37341	23.1
533.40051	4.1
545.38525	5.1
551.40570	3.1
607.43439	19.4
625.44556	30.2
643.45184	4.6
729.59467	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	8.2
66.23344	0.6
67.05498	7.4
69.03419	17.9
69.07052	5.1
69.57291	4.7
71.04973	2.5
71.08641	0.5
71.28038	0.5
73.02903	2.6
79.05482	6.3
81.03404	8.8
81.07047	14.2
82.47473	0.6
83.01322	0.6
83.04982	1.0
83.08607	3.7
85.02892	100.0
85.06520	1.1
86.03226	1.2
87.04451	1.9
88.18092	0.5
91.03944	4.2
91.04456	0.6
91.05463	9.4
93.07031	15.7
95.04949	1.7
95.08595	25.8
97.02876	31.0
97.06516	0.7
97.10129	1.1
99.04435	4.3
99.08070	6.5
101.02386	1.2
103.03921	0.8
105.07014	24.4
107.08578	29.2
109.02869	8.0
109.06521	2.6
109.10140	18.2
111.08079	2.1
115.03923	1.5
115.05422	0.7
117.07008	3.2
119.08564	53.9
120.08945	0.8
121.06476	2.3
121.10126	20.2
123.08077	2.6
123.11697	4.8
125.09627	0.8
127.03896	20.4
128.06201	1.3
129.07008	2.1
131.07545	1.0
131.08537	24.4
133.10106	25.3
135.08022	4.2
135.11664	9.3
137.09581	3.7
137.13243	1.2
142.07739	1.5
143.08540	13.9
144.09293	1.1
145.04936	30.6
145.10101	32.0
146.10495	0.7
147.08006	1.9
147.11662	23.2
149.06004	0.9
149.09584	2.4
149.13237	4.9
151.07518	0.7
151.11134	0.7
151.14723	0.9
153.09091	1.2
154.07771	0.6
155.08568	2.5
156.09329	1.7
157.10106	15.3
157.45181	0.6
158.10889	2.0
159.08035	1.0
159.11676	20.1
161.09618	3.1
161.13225	17.7
162.07558	1.0
162.13560	0.5
163.03955	0.8
163.06050	12.3
163.07509	2.4
163.11183	3.1
163.14795	7.6
167.07048	0.7
169.10112	3.7
170.10895	2.1
171.11647	13.7
172.12450	1.4
173.09685	1.1
173.13239	24.2
174.13675	0.9
175.07603	0.6
175.11163	2.0
175.14798	23.9
176.15146	0.8
177.09032	0.8
177.12726	2.7
177.16328	5.3
179.10590	0.5
179.14253	3.5
180.08632	4.9
181.10114	1.4
182.10912	1.2
183.11656	8.1
184.12326	1.1
185.09705	0.7
185.13231	21.7
186.13872	0.5
187.11194	1.3
187.14798	33.4
188.15144	0.8
189.12732	4.5
189.16318	6.0
191.10602	0.7
191.14308	9.5
193.15881	1.8
195.11684	2.4
195.13765	1.4
197.13231	7.8
198.13832	0.7
199.11176	0.9
199.14781	25.2
200.15283	0.9
201.12666	1.4
201.16354	25.5
202.16818	1.0
203.10544	0.8
203.14287	10.2
203.17944	1.8
205.15796	5.5
207.13808	1.3
207.17606	0.6
209.13243	3.1
209.15244	1.3
211.14780	6.9
213.13020	0.8
213.16350	22.8
214.16830	1.2
215.14333	2.3
215.17813	3.1
217.15868	4.3
219.13799	3.0
219.17407	3.6
221.13289	1.0
221.15327	1.5
223.14763	2.3
223.16939	2.5
225.16267	3.5
227.14345	1.2
227.17847	4.2
229.15866	2.2
229.19492	1.1
231.13718	1.2
231.17459	2.3
233.15341	4.8
235.13217	1.7
235.16943	0.7
237.14490	1.1
237.16411	2.5
239.17896	4.3
241.19559	2.9
243.17430	1.1
245.15353	8.1
245.19093	0.8
247.16917	2.9
249.14764	10.4
249.16843	0.7
251.17917	2.4
253.19582	3.9
254.20204	0.8
255.17236	0.7
255.21059	1.9
257.15436	0.8
259.16898	18.2
265.19516	1.0
267.21085	7.1
269.19128	0.9
273.18613	1.4
275.20166	0.8
279.21124	1.5
289.09213	1.5
291.21240	0.7
297.18683	0.7
303.23184	1.8
305.22476	0.6
307.24191	4.2
309.25491	1.3
319.24283	1.6
321.22134	1.4
321.25574	1.0
323.23785	0.8
325.11261	4.5
325.21643	1.2
325.25055	1.0
333.25751	0.7
335.23703	0.8
337.25156	1.4
342.13971	4.2
353.24582	4.7
363.26669	1.2
365.24454	0.8
373.28839	5.5
375.30432	3.3
381.27795	2.5
391.29929	24.4
392.30316	1.6
393.31525	8.3
401.28281	1.5
409.31094	17.0
410.31067	1.3
411.32593	2.4
419.29373	19.1
420.29846	1.1
421.30975	2.1
427.32260	1.6
437.30466	57.8
438.30737	3.4
439.31863	1.6
455.31512	92.2
456.31638	5.1
465.29974	7.0
473.32544	51.4
474.32925	2.6
483.30978	18.3
501.32059	33.7
502.32126	1.6
519.33081	4.6
635.37445	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	8.4
65.03919	0.6
67.05490	6.8
69.03415	19.4
69.07051	5.5
69.59794	2.1
69.60222	1.7
71.04987	2.7
73.02891	2.9
79.05479	4.0
81.03398	8.7
81.07042	11.8
81.07526	0.5
83.04963	1.0
83.08612	3.5
85.02889	100.0
85.06509	0.9
86.03207	1.3
87.04471	1.8
91.03934	3.9
91.05456	7.3
93.07033	11.1
95.04951	1.8
95.08590	17.4
96.08907	0.5
97.02875	28.4
97.06514	1.3
97.10182	1.2
98.03197	0.5
99.04445	4.0
99.08084	1.6
100.08171	0.5
101.02363	0.6
105.07010	16.7
107.08574	23.5
109.02858	9.4
109.06494	2.2
109.10139	19.3
109.10738	0.4
111.04375	0.5
111.08064	2.2
115.03908	0.9
117.07005	1.7
117.40171	0.5
117.81073	0.6
119.08560	36.1
121.06488	1.7
121.10127	17.5
121.10966	1.0
123.04413	0.5
123.08045	2.1
123.11691	4.2
125.05950	0.7
125.09615	1.2
127.03893	22.7
127.07571	0.6
128.06194	0.8
129.06955	2.4
131.08542	16.7
133.06554	0.5
133.10104	22.8
135.08028	3.8
135.11676	8.6
137.05998	0.6
137.09547	3.1
137.13211	1.2
139.07507	0.7
141.06978	0.6
142.07742	0.8
143.08533	6.8
145.04933	34.7
145.10097	24.0
146.10526	0.7
147.04428	0.9
147.08020	1.7
147.11658	12.2
148.11954	0.5
149.09607	2.2
149.13229	6.8
151.07544	1.5
151.11212	1.2
151.14738	0.6
153.09088	1.9
155.08522	1.5
156.09352	1.4
157.10091	8.0
158.10872	2.0
159.08018	0.9
159.11664	15.4
159.12953	0.9
161.09641	2.3
161.13248	12.4
161.14528	1.0
162.07573	1.2
163.03915	0.9
163.06009	12.6
163.07477	1.6
163.11133	3.2
163.14766	7.2
164.88364	0.5
165.12781	1.0
167.10565	0.6
169.10083	2.6
170.10860	1.7
171.11659	6.6
172.12378	1.1
173.09636	1.0
173.13231	22.7
174.13596	0.8
175.07623	0.5
175.11211	1.3
175.14799	24.6
176.15224	1.1
177.09116	1.3
177.12758	5.4
177.16341	4.9
179.10672	0.6
179.14296	1.9
180.08623	4.7
180.09729	0.4
181.08667	0.7
181.10156	0.6
183.11638	4.0
185.13225	24.4
186.13753	0.7
187.11301	1.1
187.14786	30.8
188.15205	1.1
189.12714	4.8
189.16359	8.1
191.10637	0.6
191.14276	14.8
191.17941	1.8
193.15901	1.0
195.11746	2.0
195.13725	0.5
197.13289	3.5
199.11264	0.5
199.14783	13.4
200.15207	0.6
201.12764	1.5
201.16347	21.6
202.16742	0.8
203.14279	11.2
203.17957	5.3
204.14722	0.5
205.12444	0.5
205.15848	7.1
207.11874	0.6
207.13687	1.2
207.17458	0.9
209.13451	0.9
209.15367	1.8
211.14771	2.9
213.12851	0.7
213.16351	11.4
213.18263	0.9
215.14279	3.7
215.17929	1.9
217.12340	1.2
217.15865	4.8
219.13820	1.6
219.17352	2.4
221.13252	0.6
221.15308	1.2
223.14856	0.8
223.16876	1.6
225.16443	2.6
225.18379	0.5
227.14255	0.6
227.17941	3.9
229.12294	0.6
229.15810	1.5
229.19540	1.9
231.13722	1.5
231.17393	2.7
233.15399	1.7
235.13043	2.4
235.16933	1.0
237.14703	1.5
237.16685	0.8
239.17902	2.6
241.19469	2.7
243.13734	0.6
243.17354	0.7
245.15295	4.5
245.19035	0.5
247.16881	6.5
249.14798	18.6
251.18039	1.5
253.19435	3.4
255.17427	0.6
255.21094	1.0
257.15390	0.7
259.16895	7.1
261.14920	1.9
263.16238	2.9
267.21100	1.7
269.19357	0.7
269.22675	0.7
271.20462	0.5
273.18390	2.4
277.18005	1.5
279.21204	0.7
281.22644	1.0
285.18643	0.7
287.20148	0.6
289.09052	0.9
295.20709	0.9
299.20056	1.3
305.22607	0.8
307.24094	2.5
309.25735	1.1
319.24081	0.6
324.12747	0.6
325.11301	4.6
325.21640	0.6
325.25250	1.3
335.23700	1.1
342.13898	5.2
353.24588	2.5
363.26614	1.0
371.25766	6.8
373.28909	2.7
375.30328	3.4
381.27847	2.1
382.07755	0.5
391.29932	16.1
391.34839	1.1
392.30267	0.9
393.31461	4.0
399.29022	1.3
409.30994	17.7
410.31464	0.9
411.32623	1.9
419.29370	12.7
420.29773	0.8
421.30975	1.9
427.28183	2.5
427.32492	1.6
437.30460	36.3
438.30743	2.6
439.32086	3.8
455.31500	95.9
456.31641	6.6
457.33301	0.9
465.30164	4.1
473.32553	62.2
474.32864	3.7
483.31006	11.1
483.37057	0.4
484.31314	0.6
501.32037	36.9
502.31909	2.4
519.33051	5.9
635.37653	1.0
788.78522	0.6
893.04596	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08148	0.2
61.02916	3.9
65.03928	0.4
67.05495	5.0
69.03420	2.4
69.07058	3.2
70.16269	1.4
71.01350	0.6
71.04981	0.8
72.95414	0.2
73.02903	3.0
79.05482	4.1
81.03410	1.8
81.07041	6.3
83.04973	0.7
83.08620	1.0
85.02892	4.1
85.06509	0.3
86.09691	1.9
87.04442	0.3
91.03944	2.2
91.05473	3.8
93.07031	4.0
95.04959	1.7
95.08585	2.4
97.02881	3.8
97.06503	0.9
97.10156	0.5
99.04456	0.9
101.02348	1.6
103.03938	0.3
103.05453	0.3
105.07018	3.1
107.04962	0.3
107.08575	2.5
109.02865	0.6
109.06521	0.5
109.10151	0.9
115.03931	0.4
117.07021	1.0
119.08577	1.7
121.06526	0.5
121.10078	1.2
123.08045	0.3
123.11658	0.4
125.00008	1.0
125.09620	0.4
127.03909	1.2
129.05513	0.3
131.08548	1.1
133.10092	1.2
135.11693	1.0
145.04915	0.3
145.10144	0.9
147.11665	0.7
149.13304	0.3
159.11678	0.5
163.11185	0.3
177.12778	0.3
184.07312	5.9
184.08887	0.3
185.04190	0.5
185.07733	0.7
203.05180	0.5
241.06685	0.3
243.08366	3.6
259.08096	0.4
279.42151	0.3
301.08908	0.3
315.10519	0.3
327.10416	0.2
333.20334	3.4
349.19904	0.5
389.22900	1.1
439.19308	1.8
453.20752	1.5
469.20413	0.7
535.28955	0.3
551.28180	11.6
552.28760	0.5
567.27850	0.4
763.42114	0.6
861.49512	100.0
862.49786	6.2
883.61188	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	863.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08170	0.3
61.02917	3.4
67.05495	4.0
69.03425	2.5
69.07062	2.2
71.04978	0.6
73.02910	2.9
76.03231	0.3
79.05476	3.9
81.03398	1.8
81.07047	5.0
83.04996	0.8
83.08600	0.8
85.02900	3.7
86.09694	0.7
91.03935	2.1
91.05463	4.1
93.07023	4.2
95.04958	1.0
95.08585	2.8
97.02873	3.1
97.06516	0.7
97.10174	0.8
99.04423	0.7
101.02367	1.2
103.03965	0.4
105.07021	3.3
107.04942	0.3
107.08563	2.8
109.02868	0.7
109.10157	1.1
111.09566	0.3
115.03923	0.3
117.07029	1.0
119.08567	2.2
121.10148	1.8
125.09604	0.4
127.03915	1.0
129.05469	0.6
129.06978	0.6
131.08566	1.4
133.10123	1.9
135.11719	1.0
137.39676	0.2
141.07022	0.3
143.08545	0.5
145.10130	1.0
147.11708	1.2
149.09647	0.5
149.13272	1.0
155.08554	0.3
157.10149	0.3
159.11728	0.7
161.13290	0.6
163.11232	0.3
173.13255	0.5
175.14845	0.4
181.22409	0.3
184.07298	1.6
185.04219	0.8
199.14781	0.5
203.05220	0.6
243.08412	2.8
272.27017	0.3
272.69043	0.3
277.72922	0.3
301.08908	1.5
313.08984	0.4
315.10440	0.6
317.20856	0.4
351.21371	2.4
351.25104	0.3
385.18573	0.5
397.18259	0.4
407.24265	0.6
449.25381	0.4
465.21002	0.4
499.21570	0.4
535.28784	5.8
539.36853	0.3
541.22174	0.3
569.29187	6.5
641.31952	0.9
666.47083	0.7
805.75513	0.3
863.51093	100.0
864.51392	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	866.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	1.4
64.51550	0.6
65.03915	1.7
67.05486	9.9
69.03415	21.6
69.07045	3.2
70.06571	1.1
71.04959	2.6
71.71011	1.1
73.02911	0.9
75.04476	3.9
77.03883	1.3
79.05476	22.7
81.03398	9.8
81.07037	18.0
83.04958	7.9
83.08598	6.5
85.02885	13.4
85.06523	3.5
87.04438	7.9
91.05454	16.4
91.06028	0.8
93.07022	84.2
94.07314	1.1
95.04946	18.2
95.08584	8.1
97.02870	13.8
97.06514	5.0
97.10165	0.9
99.04420	4.2
99.08068	0.8
101.02328	0.7
103.05434	1.7
105.04517	0.8
105.07007	18.2
107.04932	2.0
107.08567	37.4
109.02856	5.1
109.06484	7.5
109.10128	20.4
110.10484	0.9
111.04407	2.8
111.08043	5.0
113.05975	2.0
115.03899	3.5
117.03342	1.0
117.06992	2.5
119.08549	16.2
121.06479	3.0
121.10114	100.0
122.10444	1.6
123.04363	0.7
123.08033	8.4
123.11684	8.6
125.05993	1.3
125.09583	2.0
127.03883	7.6
129.05453	1.2
129.07021	1.6
131.04935	1.1
131.08531	12.2
133.04953	4.6
133.06462	1.4
133.10101	29.1
135.04366	1.0
135.08015	4.8
135.11664	2.8
137.05949	3.1
137.09576	0.9
137.13242	1.7
137.58943	0.7
139.11145	5.3
143.08511	2.2
145.02831	2.5
145.04910	3.5
145.06346	0.7
145.10101	7.0
147.04393	2.8
147.08034	1.3
147.11646	5.3
149.05988	0.9
149.09587	30.0
149.13208	6.0
150.07553	1.2
151.07523	1.7
151.11145	9.4
152.07022	1.3
152.12721	0.7
153.09042	3.8
157.10066	0.8
158.10870	2.3
159.07797	0.8
159.11537	1.1
161.05943	1.4
161.09583	1.8
161.13181	1.0
163.03819	3.8
163.06001	0.7
163.07501	0.7
163.11104	2.2
163.14775	2.8
165.12723	6.1
166.08670	1.5
167.06860	0.9
167.10648	29.2
167.14293	9.5
169.12227	0.7
172.03865	1.4
173.09676	0.8
173.13219	18.8
175.07690	0.8
175.11113	0.9
175.14775	13.6
177.04141	0.6
177.05396	4.0
177.09091	0.8
187.11075	0.8
189.09171	0.9
189.12741	1.0
191.10622	3.8
191.14281	12.8
193.15825	2.6
194.08148	1.8
203.10619	0.7
204.06499	1.7
205.12042	0.9
209.15320	52.3
210.15857	0.7
215.10701	1.2
217.12048	0.8
226.10735	2.0
227.16426	1.5
229.12129	1.4
241.07031	0.8
245.11716	1.3
247.13100	1.2
257.11575	0.9
265.14383	0.9
275.12567	3.4
281.13635	1.2
283.15149	1.4
293.13779	8.8
300.52802	0.7
311.14825	51.5
329.15884	1.7
357.14389	1.1
389.15771	0.8
407.16949	1.1
425.12793	0.7
425.18301	1.1
437.17920	1.1
473.19666	0.9
519.29132	1.0
657.18420	0.7
866.41058	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	11.6
65.03920	2.7
67.05495	49.1
69.03418	10.2
69.07055	12.1
69.71974	2.6
69.72395	5.0
70.06564	1.2
71.01319	2.9
71.04983	9.0
73.02905	8.8
79.05481	43.5
80.49454	0.9
81.03404	83.3
81.07041	43.0
82.03749	1.3
82.04182	2.5
83.01315	1.1
83.04970	26.8
83.08604	33.0
85.02892	40.6
85.06510	3.1
87.04449	1.7
91.03944	9.1
91.05464	48.3
93.07027	33.7
95.04955	38.6
95.08588	17.4
97.02878	17.1
97.06502	10.8
97.10146	15.6
98.07284	3.8
99.04442	2.3
99.08042	3.1
101.05997	0.9
105.06335	1.7
105.07018	30.5
107.04938	16.1
107.07900	1.6
107.08577	18.2
108.46400	0.9
109.02837	3.3
109.06493	7.5
109.10138	16.2
109.24367	1.0
111.04428	6.9
111.08065	18.2
113.05972	3.8
115.05432	2.3
116.04703	8.0
117.07015	5.9
119.04910	1.3
119.07735	1.5
119.08563	26.6
121.06500	6.0
121.10132	14.7
123.04365	1.5
123.08050	7.8
123.11660	2.7
125.05951	1.4
125.09612	15.1
127.03874	6.0
127.07519	1.8
128.06177	1.2
129.05472	20.7
129.06964	14.9
131.04942	1.9
131.08543	19.2
133.06450	4.2
133.10107	16.8
135.04378	2.0
135.08029	4.0
135.11674	9.3
137.05946	2.0
137.09555	3.4
139.07533	1.6
141.06956	0.9
142.07768	3.6
143.07007	4.2
143.10649	1.8
145.02832	1.7
145.04936	3.9
145.10107	11.2
147.04384	3.4
147.08018	5.1
147.11679	18.5
149.09584	10.1
153.09070	1.3
153.12709	5.1
157.08571	11.0
157.10091	17.2
159.08067	1.7
163.03931	5.5
163.05988	4.2
163.11151	16.0
165.12706	6.3
167.06993	1.6
171.06488	2.3
171.10085	3.1
173.09595	3.0
173.11772	6.0
173.13019	1.6
175.11147	21.1
177.05408	1.7
181.12181	5.8
185.08154	1.0
185.11740	1.2
189.09575	1.3
189.11154	6.9
191.10635	5.3
193.12207	68.4
199.13242	17.5
199.71315	1.1
203.14441	1.0
208.12961	0.9
209.11667	11.8
210.12439	1.5
211.13254	100.0
212.13593	1.6
227.12743	17.6
229.14317	6.5
247.13242	3.1
249.14865	2.6
255.15863	2.9
259.09619	1.1
265.14325	3.4
267.15869	38.2
283.12283	1.5
283.15369	26.9
283.18570	1.3
284.15982	2.5
285.16925	68.2
286.17111	1.4
301.16418	51.9
339.17850	2.0
409.25806	7.3
421.25659	3.3
427.26797	7.9
430.08862	1.1
439.26794	29.4
447.27151	1.2
459.27231	3.7
475.26953	9.6
476.27243	3.3
477.28323	5.6
493.27859	39.6
494.28915	6.4
511.28958	62.1
512.29053	2.1
538.85101	1.1
637.31683	1.4
671.45898	1.1
716.44122	1.2
728.45392	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5561
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	7.6
65.03926	7.4
66.77346	3.1
67.05493	98.3
69.03413	11.9
69.07057	53.3
70.50266	3.1
71.04987	25.8
71.71971	5.2
79.05479	73.3
81.03408	20.7
81.07040	100.0
83.04966	15.8
83.08595	25.8
85.02874	10.4
85.06531	4.4
91.05465	73.7
93.07027	74.7
93.99223	3.1
95.04979	20.5
95.08585	58.0
97.02871	8.1
97.06506	22.9
97.10140	9.2
99.08086	9.1
105.07018	57.4
107.04934	14.9
107.08577	40.9
109.06496	14.0
109.10136	26.4
111.08057	9.0
113.00012	3.7
113.09631	7.2
115.05436	6.4
117.06995	28.6
119.08553	37.8
121.06490	8.3
121.10125	20.6
123.08042	7.1
123.11738	7.0
125.09612	9.0
127.03947	4.4
129.06978	9.4
131.08534	31.3
133.06471	4.1
133.10117	36.3
135.08041	7.9
135.11650	18.0
137.09613	8.0
141.06950	5.5
143.08543	13.7
145.10094	26.1
147.08000	8.8
147.11665	15.7
149.09563	23.0
149.13228	11.1
151.11209	5.1
155.08524	5.9
157.10088	6.6
159.07899	3.6
159.11647	21.8
161.09563	6.5
161.13216	10.7
163.11136	14.8
171.11674	9.9
173.04416	6.8
173.13190	6.3
177.12770	8.7
179.14310	6.6
183.11656	7.1
185.13179	4.8
195.11691	5.2
195.13776	8.7
197.13217	6.6
199.11273	3.6
211.14705	3.8
227.12709	4.6
239.18027	5.0
242.07512	3.0
247.20621	4.8
253.14357	5.6
255.15750	8.3
257.18970	14.6
269.17447	29.7
273.13245	4.4
275.20065	52.9
293.18027	3.3
293.21088	7.8
311.25693	7.6
313.27499	5.1
316.92340	3.6
331.22653	6.0
337.27444	8.2
349.23676	51.2
367.24850	4.3
449.28763	8.4
461.28955	5.0
463.30530	15.7
525.35211	5.0
529.35028	10.6
543.36713	45.0
561.37531	5.8
623.42719	9.8
719.82129	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	872.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	4.0
63.77982	1.6
65.03926	5.5
67.05495	100.0
68.05801	2.1
69.03109	1.8
69.03423	15.1
69.06696	2.5
69.07059	46.1
70.06568	7.3
71.04992	17.0
71.08591	2.2
71.71651	3.1
72.08127	2.3
73.02921	3.0
74.97473	1.8
75.43925	1.7
77.03935	1.8
79.05022	4.2
79.05482	75.0
81.03413	18.0
81.07042	90.2
83.04964	16.8
83.08182	1.7
83.08613	22.1
84.08124	3.4
85.02892	5.4
85.06522	8.1
86.09669	4.6
91.05466	74.9
93.07034	68.0
95.04958	21.7
95.08595	40.0
97.02888	10.2
97.06516	48.9
97.10139	12.0
99.04435	2.3
99.08089	4.2
103.05394	2.5
105.04456	3.1
105.06334	3.2
105.07020	54.8
107.04944	18.7
107.08575	41.1
109.02846	2.6
109.06495	17.6
109.10139	38.9
111.04383	3.5
111.08049	8.7
113.06010	2.4
115.05401	2.5
115.07571	8.8
117.07000	25.3
119.04866	2.4
119.08561	35.1
120.08124	2.3
121.06478	9.6
121.10129	21.2
123.08087	8.6
123.11683	5.2
125.09631	12.3
127.03862	5.0
127.07523	3.3
128.06219	3.2
129.07007	10.9
131.08556	34.0
133.06459	8.4
133.09172	3.0
133.10106	36.7
135.08064	11.2
135.11678	14.3
136.07573	3.9
137.09587	3.6
141.06947	5.4
142.07707	3.3
143.08528	10.4
145.06493	2.6
145.10115	21.4
147.08035	9.9
147.11664	17.1
149.09592	14.7
149.13219	9.9
151.11176	11.3
155.08508	5.8
155.10577	1.9
157.10132	9.3
159.08035	2.2
159.10435	2.6
159.11633	16.8
161.09618	6.8
161.13194	4.9
163.11185	7.9
167.08545	2.3
169.09988	5.1
171.10269	2.0
171.11679	9.7
173.04385	3.9
173.09601	2.8
173.11671	6.2
173.13205	6.1
175.11157	6.1
177.12714	6.5
181.10092	2.5
183.11691	5.1
184.07295	4.6
185.13187	4.8
187.11156	3.6
189.11160	9.2
189.12715	3.4
195.11775	2.8
195.13792	8.7
197.13271	3.3
199.14783	2.8
201.12625	3.4
209.13260	2.4
215.14328	3.7
217.15776	3.6
220.50879	1.9
223.13263	5.2
227.12721	12.3
227.17847	2.8
229.14273	13.8
235.16875	2.0
245.19019	2.1
249.14851	3.3
251.10330	2.5
253.14287	14.2
255.15712	5.9
257.18921	7.2
259.20364	3.0
263.19949	2.7
267.15802	2.3
269.17410	25.7
273.18472	27.9
275.20035	33.2
291.19516	47.1
293.20981	4.8
311.83469	2.3
331.22388	2.2
333.24036	2.4
336.34351	1.8
342.10226	1.9
347.22046	9.1
349.23712	20.8
365.23212	28.9
367.24649	5.6
439.26758	3.6
449.29135	2.9
463.30508	4.3
501.31573	2.6
513.35315	2.4
519.33130	33.7
541.35425	4.4
543.37463	8.5
545.34680	3.7
559.36169	27.4
560.37012	2.5
621.41400	2.2
639.42413	15.0
640.41632	2.1
657.43640	8.6
728.08075	2.0
751.34839	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5499
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03910	6.0
67.05492	91.9
69.03427	9.6
69.06689	2.6
69.07052	38.2
69.07596	2.1
69.58800	3.7
69.59213	14.7
70.46761	1.9
71.04972	7.5
71.08596	3.0
79.05480	62.8
81.03415	11.4
81.07040	100.0
83.04959	12.5
83.08610	16.4
85.02872	6.3
85.06524	7.0
86.09699	10.7
91.05463	72.7
91.06039	3.0
92.05794	2.4
93.07025	66.1
93.41206	2.1
94.07353	3.6
95.04955	14.8
95.08588	43.1
97.02875	5.1
97.06514	20.8
97.10143	10.0
99.08071	4.6
103.05450	4.1
103.62399	1.8
105.04499	2.4
105.06328	3.8
105.07008	57.6
107.04916	9.3
107.08577	41.3
107.28807	1.9
109.06517	13.0
109.10134	31.4
110.10443	3.0
111.08046	6.3
113.62251	1.9
115.05450	2.6
117.06980	23.5
119.08559	48.1
121.06480	7.5
121.10122	27.2
123.08028	7.3
123.11674	5.5
124.99947	6.4
125.09608	9.1
127.03903	2.7
127.68728	2.2
129.05504	2.5
129.06956	12.1
131.07637	3.5
131.08545	34.4
133.06441	2.5
133.10095	44.8
134.10458	2.6
135.08026	8.5
135.11690	18.8
137.09583	7.7
141.06912	4.4
143.08563	12.1
145.10103	28.3
147.08060	3.4
147.11652	23.8
149.09595	10.5
149.13194	18.3
151.11163	5.8
155.08502	7.1
155.71201	1.9
157.10127	14.2
159.08092	2.2
159.11688	26.0
161.09538	2.9
161.13223	12.0
163.11140	10.6
165.12762	2.9
167.08569	3.1
169.10077	5.2
171.11659	10.3
173.11697	4.9
173.13203	8.5
175.11121	3.9
177.12741	5.6
179.14339	2.5
181.10092	3.7
183.11682	8.2
184.07285	27.1
185.13240	5.6
189.11201	5.3
189.12726	2.6
195.11719	4.2
195.13722	7.2
197.13240	5.3
199.14725	5.4
209.13181	3.7
211.14807	3.3
215.14278	2.3
227.12708	9.8
229.14299	12.4
239.17918	5.6
241.19464	8.0
247.20561	3.2
253.14256	6.1
254.14699	2.8
257.19019	7.0
259.20575	14.7
267.15863	2.4
269.17422	36.9
273.18674	3.4
274.18665	2.0
275.20004	44.6
276.20493	2.7
291.19260	2.6
293.21106	13.2
303.16458	2.2
331.22388	2.7
333.24219	15.1
349.23611	24.5
353.24359	2.1
367.24792	13.0
423.27295	5.7
451.31973	3.3
463.30627	14.6
497.51413	1.9
505.35214	3.5
513.34772	2.7
515.37933	2.1
520.32629	2.2
525.35309	2.9
527.37054	17.9
543.36621	13.5
545.37921	6.0
561.37750	9.1
601.26349	2.0
607.43799	9.3
625.44586	9.2
641.43719	2.7
836.17151	2.3
875.47955	3.6
882.74310	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5502
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02901	2.3
61.84483	1.6
65.03920	5.3
67.05494	100.0
68.05798	1.5
69.03416	7.6
69.07054	38.9
69.27065	2.1
71.04975	6.7
73.02880	2.0
75.49768	1.7
79.05019	3.0
79.05479	58.9
81.03396	10.6
81.07042	86.3
82.07384	1.7
83.04941	8.2
83.08607	21.8
85.02878	6.6
85.06532	5.2
86.09665	2.9
91.05461	51.3
93.07030	57.8
94.76775	1.5
95.04950	10.5
95.08588	37.9
97.02871	4.7
97.06521	16.9
97.10146	17.4
99.08087	3.5
105.04517	1.9
105.07013	45.9
107.04923	14.5
107.08575	49.6
109.02813	2.2
109.06489	8.9
109.10131	41.8
111.08057	8.8
115.05409	2.3
117.07011	16.4
119.08563	32.8
121.06483	6.4
121.10106	21.4
123.08040	4.9
123.11681	6.7
124.99987	2.1
125.09634	14.2
127.03900	3.2
129.06987	5.4
130.07803	1.9
131.08536	27.0
133.06474	2.8
133.10110	26.7
135.07999	8.9
135.11662	17.1
137.09586	5.1
141.06921	2.1
142.07755	1.6
143.08549	6.8
145.10104	23.7
147.08084	2.7
147.11673	19.9
149.09596	14.8
149.13298	11.8
151.11130	3.4
155.08525	4.1
157.10106	5.4
159.11655	17.8
161.13263	5.5
163.11180	9.4
165.12703	1.8
165.25354	1.5
169.10098	4.0
171.11626	5.3
173.09584	1.8
173.11700	11.3
173.13258	8.9
175.11124	2.0
177.12744	5.5
179.14348	1.9
181.10117	2.2
181.12169	1.8
183.11705	4.8
184.07309	7.8
185.13234	2.5
187.11252	2.6
189.11198	9.2
193.12131	2.1
195.11697	2.7
195.13771	6.0
197.13213	5.2
205.12195	1.8
210.83568	1.7
214.50929	1.6
227.12750	27.9
229.14304	32.0
229.19366	3.6
239.17880	5.7
255.15881	5.7
257.19016	12.6
267.15802	2.6
269.17441	31.1
275.20013	67.5
276.20447	2.3
291.19507	2.4
293.21063	5.4
331.22568	4.7
349.23669	53.2
367.24814	14.6
389.27332	1.8
409.25601	8.6
423.27396	27.0
445.29504	2.3
449.28860	9.6
463.30487	24.3
469.32904	3.0
503.33566	25.5
519.32526	2.8
521.34619	3.9
525.35535	6.0
529.35223	6.1
543.36664	46.9
561.37677	15.6
567.31195	2.7
607.34467	3.2
623.43341	13.4
641.44238	12.2
659.45270	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	1.5
61.97777	0.7
67.05499	1.2
67.95425	0.9
69.03427	7.8
73.02890	1.4
79.05479	2.1
80.04972	0.8
81.03394	3.5
81.07025	0.9
85.02900	10.0
87.04443	0.9
89.34261	0.8
91.05466	1.7
93.07014	3.3
94.06552	6.4
95.07329	1.5
96.08137	4.6
96.08624	0.8
97.02896	5.5
97.82898	0.8
98.46162	0.7
99.04434	1.7
103.05405	1.0
105.07019	1.8
107.07305	1.6
107.08530	1.3
108.04449	1.1
108.08104	11.9
109.02882	1.4
110.05078	0.7
110.09653	9.8
119.08549	1.4
120.04437	4.4
120.08084	10.5
121.06406	0.9
122.06014	10.8
122.09631	6.0
124.07582	2.5
127.03884	1.9
134.05966	1.3
136.07556	17.4
137.05946	1.4
138.05441	1.6
138.09119	13.8
145.02792	1.4
145.10107	0.8
146.05962	2.4
147.04387	1.6
147.11679	1.0
148.07555	9.4
150.05560	1.3
150.09122	10.1
152.07053	1.9
152.10713	1.2
162.09192	0.9
163.03879	2.0
164.07056	3.4
166.08606	31.2
167.06981	1.0
172.03940	2.2
174.05507	0.9
176.10649	1.1
177.05467	2.0
177.15527	0.8
180.10211	1.3
187.14993	0.9
190.04956	2.3
194.08086	2.1
194.22462	0.8
197.10686	1.7
198.11450	1.4
204.06479	1.3
207.09071	0.9
209.10757	2.2
210.11403	0.9
212.09421	1.6
213.10223	1.3
221.10590	0.9
222.07626	0.9
222.11478	0.9
223.08507	1.3
223.12001	1.7
224.09384	1.7
225.10260	7.7
226.10831	1.8
227.11827	4.3
233.10753	2.1
235.08598	3.1
235.12227	1.1
236.09412	2.6
237.10194	16.0
238.10887	3.0
239.08066	2.4
239.11771	6.7
240.12326	1.0
241.09608	2.6
247.08665	1.0
248.09283	4.5
249.10175	11.8
250.11079	4.4
251.08128	3.5
251.11752	15.1
252.09007	1.2
252.12473	3.7
253.09703	9.4
253.13379	1.6
254.10262	0.9
255.11194	6.1
261.10172	7.8
262.10843	3.0
263.08099	1.2
263.08569	1.3
263.11725	14.6
264.08908	1.9
264.12460	2.1
265.09708	22.5
265.13034	2.0
266.10373	3.4
267.11270	13.2
268.08505	0.9
268.12000	1.7
269.09262	1.6
269.12839	2.0
271.10764	1.4
273.12344	1.4
275.08014	1.2
276.08752	1.4
277.09766	6.0
277.12735	1.0
278.06497	1.5
278.10458	8.9
279.07648	3.8
279.11200	27.4
280.08469	0.8
280.11987	5.8
281.09177	5.3
281.12543	6.3
282.09903	2.2
283.10770	9.5
283.13660	1.3
284.11218	1.5
285.12311	2.3
287.13797	3.4
289.09641	19.6
290.10266	4.0
291.11270	9.0
292.12033	1.4
293.09137	10.9
293.12787	9.0
294.09857	6.1
294.13348	2.2
295.10828	8.6
295.14111	1.6
296.11432	6.1
297.08960	1.6
297.12140	6.2
298.12732	1.1
299.10156	3.7
305.09171	1.6
306.09982	2.5
307.10709	8.6
308.11526	3.2
309.08914	1.6
309.12234	10.1
310.13046	1.8
311.10178	10.5
311.13870	5.3
312.11008	6.4
312.56998	0.9
313.11795	5.3
314.12488	2.7
315.13541	1.1
317.09109	2.7
319.10736	1.5
321.12344	1.9
323.10193	2.7
323.13824	6.1
324.11075	4.0
325.11786	9.6
326.12506	4.8
327.09735	1.6
327.13348	11.6
329.14960	2.1
334.17938	0.9
335.10229	31.9
336.10660	2.1
337.11636	6.0
339.09930	2.5
339.13342	70.7
340.10403	6.8
340.13815	3.8
341.11246	5.5
341.15079	2.9
349.11874	1.9
351.09515	1.3
352.10406	2.0
353.11215	14.1
354.12070	7.4
354.15625	1.2
355.12848	25.2
355.17181	1.7
356.13220	2.6
356.17432	1.1
367.12845	57.2
368.13205	3.8
369.14441	1.3
370.15399	0.9
371.16403	1.2
372.16833	2.0
381.14276	1.5
384.17456	0.9
386.14664	1.0
399.25580	1.1
416.19861	1.2
418.17609	1.4
429.16632	1.4
432.18771	2.1
442.17459	2.3
444.19254	1.7
460.18707	6.9
462.20346	1.1
464.21960	1.3
470.16925	2.5
471.30920	5.8
472.18491	1.6
474.20422	1.5
478.19446	1.2
479.20486	1.3
483.17462	1.0
488.18121	21.6
489.18311	1.8
492.21289	4.0
502.19656	1.1
506.19070	14.0
517.18115	3.1
520.20776	19.5
521.20813	2.2
527.08984	0.9
529.18188	1.4
622.23529	1.6
632.22150	1.8
650.23541	10.7
651.23590	1.6
654.26013	1.2
656.27557	1.3
664.24652	2.5
682.25964	100.0
683.26447	8.8
714.28198	2.8
800.31610	1.5
812.28571	10.3
826.28925	1.6
844.31183	91.5
845.31567	12.8
876.34619	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	3.0
67.05492	3.1
69.03403	1.4
69.07052	1.9
69.82755	3.4
71.04983	1.1
73.02916	2.2
79.05486	3.8
81.03391	1.2
81.07045	2.5
83.04994	0.5
83.08572	0.5
85.02872	3.2
85.41090	0.4
86.09681	0.7
91.03941	1.5
91.05489	3.0
93.07030	3.5
94.84189	0.4
95.04945	1.4
95.08597	1.6
96.63189	0.4
97.02887	2.6
97.06512	0.8
97.10162	0.7
99.17427	0.5
101.02385	0.9
105.07021	2.2
107.08570	1.7
109.10143	0.6
117.07009	1.1
119.08551	1.5
121.10107	1.0
127.03923	0.5
131.08571	0.6
133.10126	1.4
135.11664	0.9
145.10146	1.1
145.17213	0.5
147.11688	1.5
177.12625	0.5
184.07338	1.9
185.04269	1.1
235.97226	0.5
243.08427	2.4
295.11823	0.5
301.08936	2.1
308.74350	0.5
315.10477	0.6
333.20599	0.7
349.19757	0.7
365.23074	2.5
373.11194	0.9
385.18182	0.9
453.20950	0.7
463.26218	0.5
465.20737	1.2
469.20578	1.2
502.30646	0.5
530.21082	0.4
535.28632	4.4
541.22375	1.0
543.53528	0.5
551.28204	2.1
567.26239	1.6
583.30908	2.7
611.29761	0.9
667.32745	0.7
723.39227	0.6
775.41992	1.3
779.42456	0.8
789.42914	0.6
791.41876	8.7
859.47644	0.9
877.48651	100.0
878.47943	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	877.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	2.2
67.05492	3.1
69.03398	1.6
69.07040	0.9
71.04986	0.9
71.29176	0.5
71.29505	1.0
73.02883	1.9
75.53687	0.4
79.05486	2.2
81.03389	1.7
81.07029	2.8
83.04974	0.5
83.08562	0.5
85.02882	3.1
86.09663	0.8
87.04459	0.5
88.31861	0.4
91.03935	1.1
91.05463	2.4
92.26461	0.4
93.07012	3.2
95.04939	1.1
95.08578	1.3
97.02876	1.8
97.10100	0.5
101.02365	0.8
101.29713	0.4
105.06999	1.2
107.08554	1.6
109.10142	0.9
112.50626	0.4
113.81902	0.5
117.06969	0.7
117.12791	0.5
119.08544	1.4
121.10129	0.9
127.03889	0.5
131.08562	0.8
133.10139	0.6
135.11665	0.5
159.11710	0.6
171.11664	0.6
184.07335	1.0
243.08336	1.6
273.05286	0.5
301.08832	1.4
315.10333	0.6
365.23016	2.2
373.10767	0.5
385.18347	1.1
397.18549	0.4
463.16367	0.4
469.20261	0.5
496.30911	0.5
516.44434	0.5
535.28729	3.3
541.22742	0.8
551.28033	0.8
567.25629	1.4
583.30634	2.8
611.30444	0.6
653.29401	0.6
655.32776	0.6
704.55115	0.5
709.33582	0.8
723.39313	0.9
775.42474	0.5
779.40192	0.7
791.41534	3.9
877.47803	100.0
878.47546	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	878.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	2.6
65.03916	0.8
67.05494	21.1
69.07056	7.0
69.92924	2.6
71.04965	1.2
71.08618	13.0
73.02903	0.9
73.06551	0.9
79.05480	26.9
81.03415	3.2
81.07044	23.2
81.07405	0.3
83.04969	5.8
83.08604	6.8
85.02898	3.6
85.06528	1.0
85.09679	0.5
85.10170	7.8
87.04449	0.4
89.06037	0.7
91.03946	2.9
91.05460	21.1
93.07030	29.9
95.04958	8.9
95.08591	18.5
96.23608	0.5
97.02884	2.3
97.06541	2.0
97.10147	4.4
98.21420	0.8
99.04415	0.5
99.08072	0.5
99.11697	0.5
103.05465	0.8
103.07581	0.5
105.07014	16.6
107.04967	2.3
107.05566	0.5
107.08575	7.4
109.02859	0.5
109.06511	2.4
109.10118	5.8
111.08067	0.5
115.03931	0.5
117.07001	3.3
119.08568	10.3
121.06484	1.3
121.10134	1.5
123.08028	2.4
123.11697	1.7
127.03875	0.5
127.07518	0.5
128.06230	0.9
129.06982	7.3
131.08533	1.2
133.10104	4.2
135.11655	0.4
137.13173	0.6
143.08542	3.9
144.81239	0.5
145.04961	0.7
145.10115	4.5
147.08028	1.6
147.11664	18.7
147.99905	0.4
161.09622	2.1
161.13232	6.4
163.05995	1.1
171.07961	0.5
171.11661	13.9
179.14322	0.5
189.12723	4.1
192.53033	0.4
207.13771	16.2
225.14949	0.5
237.36659	0.4
239.23718	0.8
257.24789	1.4
281.17432	49.4
282.17700	1.0
285.45187	0.5
313.27313	43.1
314.27621	0.8
321.14359	0.5
424.28812	0.5
438.14633	0.5
519.40381	100.0
520.40814	4.1
572.72186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4717
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	5.8
65.03922	6.8
67.05492	85.1
69.03046	2.4
69.03416	49.4
69.07055	28.2
70.06566	4.5
71.01322	3.7
71.04977	12.6
71.44845	4.0
72.08151	1.7
73.02894	6.2
73.06525	2.4
79.05479	100.0
81.03403	92.8
81.03803	1.3
81.07040	90.0
83.04958	23.9
83.08595	15.6
85.02888	28.9
85.06524	6.4
86.09674	4.6
87.04449	2.9
91.03939	3.8
91.05462	90.4
93.07025	85.1
95.04946	32.8
95.08001	3.2
95.08588	51.0
96.20707	1.6
97.02244	1.9
97.02869	36.3
97.06522	14.6
97.10143	8.9
99.04440	12.0
99.08058	3.6
101.02358	3.1
103.03901	2.6
103.05439	3.5
105.04488	1.9
105.07009	65.9
105.77039	1.8
107.04929	20.1
107.08574	45.5
109.02856	20.5
109.06510	12.7
109.10130	20.3
111.04419	7.6
111.08065	5.4
115.03898	2.3
115.05424	8.2
117.06998	31.1
119.04891	3.7
119.08562	47.2
121.06494	12.9
121.10120	18.9
123.04370	3.3
123.08035	8.8
123.11736	2.4
124.99928	2.2
125.09591	6.4
127.03893	28.1
128.06215	9.6
129.05486	3.6
129.06982	28.3
130.07773	3.6
131.04926	3.9
131.08543	35.9
133.06451	6.8
133.10089	31.3
135.04332	3.6
135.07979	7.8
135.11665	13.2
136.07584	2.3
137.09593	5.8
141.06975	4.9
142.07764	3.8
143.08522	18.3
145.04913	4.0
145.06453	7.3
145.10103	29.4
147.07999	5.2
147.10556	3.2
147.11658	37.2
149.09567	9.1
149.13231	9.1
151.11212	3.8
153.06937	2.2
153.09018	1.8
155.08501	8.9
157.06468	3.5
157.10106	11.9
159.08009	6.8
159.11662	19.7
161.05852	2.0
161.09596	4.5
161.13211	13.6
163.03755	2.5
163.07466	2.7
163.11070	8.8
165.12657	2.8
167.08530	6.6
169.10100	11.9
171.07979	5.7
171.11685	26.1
173.04439	39.2
173.05908	2.7
173.09573	4.1
173.11804	2.7
173.13232	11.8
175.11131	4.5
177.12741	5.0
179.14276	3.1
181.10002	3.5
183.07976	2.4
183.11626	5.9
184.07368	4.0
185.09567	2.9
185.13228	4.9
187.07520	2.2
187.11128	3.5
187.14844	2.5
189.11215	3.2
189.12744	7.6
191.14264	3.7
193.10118	2.5
195.08218	1.7
195.11661	3.3
195.13794	2.2
197.13263	5.5
199.05954	3.9
199.11089	3.4
199.14824	3.8
199.16675	1.7
201.12773	2.1
201.16476	2.2
207.11790	3.9
207.13725	22.7
209.13258	4.1
211.11172	2.0
211.14842	2.1
221.13152	2.0
223.14891	2.4
225.14798	2.4
227.12718	4.6
228.27957	1.6
229.14223	3.5
229.19504	3.4
231.13770	2.1
233.15466	1.9
239.17940	4.9
247.20677	2.6
251.14294	2.0
257.15363	1.7
257.16605	1.8
257.18985	13.6
259.17075	3.7
259.20605	1.6
269.15100	2.3
271.13104	2.2
273.18393	2.1
275.20026	49.5
279.15945	6.6
281.17392	48.1
287.16360	7.0
291.19489	1.8
293.21155	4.2
315.15903	2.4
321.24396	2.2
331.22644	2.5
349.23706	23.9
355.26126	2.4
361.70758	2.2
367.25037	2.6
407.20459	2.5
413.21948	1.9
425.21426	3.4
435.27234	5.7
457.29550	2.6
463.32007	3.0
475.30676	20.7
493.27655	2.5
527.37036	7.2
537.35559	10.4
555.36761	50.1
556.37018	1.9
573.37286	5.1
597.37494	2.5
601.32996	3.0
619.34662	8.8
635.38910	4.0
653.39001	2.2
681.39838	3.5
699.40845	10.3
717.42255	9.5
781.37793	2.0
850.25928	2.0
879.48486	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	4.3
61.73578	2.3
62.70890	2.3
64.70424	2.1
65.03920	5.5
65.51978	2.5
67.05137	3.6
67.05491	57.4
67.84686	2.8
69.03404	14.9
69.06738	3.0
69.07058	32.8
69.63647	5.1
69.64070	14.9
70.06555	7.7
71.04977	6.0
73.02892	2.7
79.05479	57.6
81.03400	43.2
81.07043	77.1
83.04958	14.2
83.08586	9.5
85.02879	12.7
85.06515	3.2
86.09662	2.5
91.05463	88.8
93.07027	61.2
94.53800	2.3
95.01294	9.0
95.04956	28.3
95.08006	3.2
95.08588	44.5
97.02872	14.9
97.06518	52.7
97.10130	6.0
99.04429	4.8
103.05428	5.3
105.07010	86.5
107.04947	28.3
107.08581	27.8
109.02811	6.5
109.06482	7.5
109.10126	11.8
111.04416	3.6
111.08057	5.9
115.05413	6.3
116.06188	2.6
116.14075	2.3
117.06980	32.3
119.04919	2.8
119.08555	55.7
121.06472	6.8
121.10132	11.8
123.04390	4.6
123.08024	8.9
123.11657	3.6
127.03866	7.2
128.06203	8.0
129.05499	2.8
129.06966	20.7
130.07739	2.4
131.04942	4.3
131.08556	32.4
133.06439	6.9
133.10100	42.4
135.08051	6.4
135.11665	10.6
136.07542	5.0
141.06984	6.3
143.08557	15.0
145.06441	9.2
145.10091	25.5
147.08034	5.0
147.11659	26.6
149.09558	9.8
149.13200	5.3
151.11124	3.8
154.07748	3.6
155.08501	5.8
156.09285	2.7
157.06390	3.8
157.10095	10.4
159.08008	3.7
159.11661	17.7
161.09601	6.8
161.13229	8.2
163.11122	9.2
165.09122	3.5
167.08502	2.8
169.10104	8.4
171.08052	5.4
171.11661	13.6
173.04491	11.3
173.09499	3.0
173.13225	4.7
177.12662	6.2
179.14270	15.1
181.10132	3.9
183.11644	3.9
184.07263	2.6
185.09564	4.0
187.05513	2.3
187.11143	8.1
189.12733	6.3
195.11642	3.6
197.13269	4.4
199.11250	2.3
207.13782	7.0
236.66020	2.3
241.16066	3.7
247.20763	3.1
251.14182	3.5
257.18982	9.8
259.20544	2.7
263.16479	3.3
269.15347	8.7
275.20001	98.1
276.17261	2.3
276.20334	3.5
279.15930	13.5
281.17426	18.1
287.16321	9.3
293.21094	6.0
305.17310	3.6
329.52228	2.7
343.18967	2.4
349.23718	39.2
361.20056	4.2
407.20514	3.5
425.21854	13.7
527.37421	4.5
537.35712	14.2
538.35413	2.9
555.36700	100.0
556.36902	3.7
569.38239	7.1
571.37274	2.5
635.39594	11.3
653.40680	4.5
663.38611	3.1
699.40820	18.6
717.40997	3.3
841.65192	2.5
879.47137	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	879.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	4.3
61.73578	2.3
62.70890	2.3
64.70424	2.1
65.03920	5.5
65.51978	2.5
67.05137	3.6
67.05491	57.4
67.84686	2.8
69.03404	14.9
69.06738	3.0
69.07058	32.8
69.63647	5.1
69.64070	14.9
70.06555	7.7
71.04977	6.0
73.02892	2.7
79.05479	57.6
81.03400	43.2
81.07043	77.1
83.04958	14.2
83.08586	9.5
85.02879	12.7
85.06515	3.2
86.09662	2.5
91.05463	88.8
93.07027	61.2
94.53800	2.3
95.01294	9.0
95.04956	28.3
95.08006	3.2
95.08588	44.5
97.02872	14.9
97.06518	52.7
97.10130	6.0
99.04429	4.8
103.05428	5.3
105.07010	86.5
107.04947	28.3
107.08581	27.8
109.02811	6.5
109.06482	7.5
109.10126	11.8
111.04416	3.6
111.08057	5.9
115.05413	6.3
116.06188	2.6
116.14075	2.3
117.06980	32.3
119.04919	2.8
119.08555	55.7
121.06472	6.8
121.10132	11.8
123.04390	4.6
123.08024	8.9
123.11657	3.6
127.03866	7.2
128.06203	8.0
129.05499	2.8
129.06966	20.7
130.07739	2.4
131.04942	4.3
131.08556	32.4
133.06439	6.9
133.10100	42.4
135.08051	6.4
135.11665	10.6
136.07542	5.0
141.06984	6.3
143.08557	15.0
145.06441	9.2
145.10091	25.5
147.08034	5.0
147.11659	26.6
149.09558	9.8
149.13200	5.3
151.11124	3.8
154.07748	3.6
155.08501	5.8
156.09285	2.7
157.06390	3.8
157.10095	10.4
159.08008	3.7
159.11661	17.7
161.09601	6.8
161.13229	8.2
163.11122	9.2
165.09122	3.5
167.08502	2.8
169.10104	8.4
171.08052	5.4
171.11661	13.6
173.04491	11.3
173.09499	3.0
173.13225	4.7
177.12662	6.2
179.14270	15.1
181.10132	3.9
183.11644	3.9
184.07263	2.6
185.09564	4.0
187.05513	2.3
187.11143	8.1
189.12733	6.3
195.11642	3.6
197.13269	4.4
199.11250	2.3
207.13782	7.0
236.66020	2.3
241.16066	3.7
247.20763	3.1
251.14182	3.5
257.18982	9.8
259.20544	2.7
263.16479	3.3
269.15347	8.7
275.20001	98.1
276.17261	2.3
276.20334	3.5
279.15930	13.5
281.17426	18.1
287.16321	9.3
293.21094	6.0
305.17310	3.6
329.52228	2.7
343.18967	2.4
349.23718	39.2
361.20056	4.2
407.20514	3.5
425.21854	13.7
527.37421	4.5
537.35712	14.2
538.35413	2.9
555.36700	100.0
556.36902	3.7
569.38239	7.1
571.37274	2.5
635.39594	11.3
653.40680	4.5
663.38611	3.1
699.40820	18.6
717.40997	3.3
841.65192	2.5
879.47137	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	879.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.7
65.03930	0.5
67.05500	8.3
69.03416	3.6
69.07064	4.8
69.64121	2.8
70.06572	2.5
71.04972	1.3
72.08138	0.7
73.02904	2.7
77.21130	0.4
79.05486	5.8
81.03407	3.7
81.07041	7.3
83.04974	1.5
83.08612	1.5
83.26157	0.4
84.08149	0.6
85.02908	4.4
86.09695	1.7
91.03925	2.0
91.05476	5.2
93.07034	5.7
95.04964	1.9
95.08582	3.5
97.02876	4.8
97.06516	1.0
97.10159	1.4
98.21427	0.7
99.04427	0.7
101.02372	1.8
105.07004	4.0
107.04952	1.1
107.08572	3.4
109.02877	1.3
109.06535	0.9
109.10136	4.1
111.04404	0.3
111.08057	0.6
115.03895	0.6
117.06965	1.8
119.08555	2.6
120.08084	0.8
121.06541	0.5
121.10097	1.9
123.08042	0.4
123.11646	0.5
124.99969	0.6
125.09628	1.6
127.03932	1.3
129.06956	0.8
131.08578	1.1
133.06512	0.3
133.10091	1.8
135.08086	0.5
135.11728	1.0
136.07568	1.0
137.09610	0.6
139.61868	0.4
143.08565	0.6
145.06487	0.4
145.10120	1.5
147.11700	0.9
149.09636	0.4
149.13251	0.9
155.08644	0.5
157.10162	0.5
159.11722	0.9
161.13248	0.6
171.11630	0.8
173.11719	0.5
184.07245	2.6
185.04239	0.6
185.07721	0.4
203.05255	0.7
213.08708	0.7
227.12738	0.5
229.14357	0.7
243.08353	3.1
251.10370	0.8
275.20032	0.7
281.17548	0.8
291.19388	0.8
325.21515	0.4
333.20224	2.1
351.21420	2.3
407.24139	0.6
439.19553	1.0
453.21011	0.6
499.21655	0.5
519.33093	0.4
520.33490	1.0
551.28131	6.2
555.36810	1.2
569.29193	6.8
570.29291	0.5
879.50616	100.0
880.50885	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	880.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	7.1
65.03883	0.3
67.05493	8.6
69.03412	1.7
69.07056	4.5
70.18581	1.0
71.01311	0.6
71.04974	1.9
71.08619	11.7
73.02910	2.2
79.05479	7.0
81.03404	4.9
81.07043	12.9
83.01324	4.0
83.04515	0.3
83.04963	4.4
83.08604	9.0
85.02890	11.4
85.06518	0.5
85.10165	6.9
87.60734	0.2
89.05986	0.9
91.03940	6.1
91.05461	5.2
93.07028	10.7
95.04395	0.2
95.04957	3.0
95.08591	10.9
96.04440	0.3
97.02876	6.0
97.06503	2.1
97.10159	3.1
99.04428	1.7
99.08083	0.3
99.11706	0.6
103.07542	0.6
105.07012	3.3
107.04940	4.0
107.08574	5.9
107.83618	0.2
109.02830	0.4
109.06499	3.2
109.09412	0.3
109.10132	4.9
111.04421	1.1
111.08026	1.0
111.11681	0.6
113.05975	0.3
115.03863	0.6
115.05399	0.2
117.06998	3.4
117.09084	0.4
119.08567	3.8
121.06489	1.7
121.10130	4.4
123.04410	0.2
123.07246	0.3
123.08050	4.3
123.11672	2.0
125.05950	0.9
125.09590	0.6
125.13225	0.3
127.03030	0.2
127.03903	2.7
129.06950	0.7
130.07721	0.5
131.08553	1.8
133.10085	0.8
135.07990	0.7
135.11674	6.4
137.09552	0.6
137.13217	0.7
143.08472	0.3
144.06569	0.3
145.04930	2.9
145.06192	0.4
145.06374	0.3
145.10100	8.1
146.05371	0.2
147.07993	0.7
149.09583	0.4
153.12715	1.5
155.08511	0.7
163.05984	3.5
163.11156	13.5
173.09586	2.0
181.12227	1.7
191.10625	1.6
209.11690	3.8
221.22525	0.2
227.12756	2.4
239.23640	1.3
242.77325	0.2
257.24649	1.3
283.15356	100.0
284.15738	1.8
313.27307	73.1
314.27646	1.8
426.28210	0.2
521.38300	50.4
522.38684	1.9
576.31567	0.2
634.31360	0.2
754.68140	0.2
821.85382	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	3.2
65.03901	0.5
67.05494	10.3
69.03375	1.0
69.07054	8.0
69.52692	2.1
69.53127	2.6
71.04953	1.5
71.08620	15.6
72.76700	0.7
73.02878	1.6
79.05482	13.5
81.03382	2.1
81.07041	18.3
83.04939	2.3
83.08188	0.9
83.08606	10.7
85.02892	3.8
85.06497	0.8
85.10165	9.6
89.05988	0.7
91.03935	2.7
91.05455	4.6
93.07028	21.8
95.04938	3.4
95.08588	33.2
97.02881	4.4
97.06487	2.2
97.10158	3.1
98.66673	0.5
99.04447	2.7
99.11701	0.8
103.07563	0.8
104.08363	0.6
105.06989	4.1
107.04929	4.7
107.08572	15.4
109.06487	1.2
109.09525	0.5
109.10146	7.3
111.04390	1.1
111.08041	0.9
111.11694	0.5
113.05865	0.6
117.06992	4.9
119.08552	6.8
121.06486	3.2
121.10130	9.0
123.11640	1.8
125.05925	2.3
127.03863	0.7
130.07767	0.7
133.10071	1.9
135.08049	1.2
135.11667	33.4
136.11977	0.6
137.13199	1.5
137.65753	0.6
139.07523	1.5
143.08554	1.0
145.04941	0.5
145.08963	1.0
145.10095	18.2
153.12709	0.8
163.05957	0.9
163.11150	45.0
173.09593	0.9
181.12190	8.4
209.11763	1.7
227.12743	49.2
228.13200	0.7
232.07146	0.6
239.23666	1.8
257.24597	1.9
283.15356	86.9
284.15726	1.7
313.27304	87.0
314.27646	2.5
521.38300	100.0
522.38538	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	882.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91291	0.3
65.03925	0.9
67.05135	0.7
67.05492	13.0
69.03401	1.3
69.07053	2.8
71.04977	0.8
71.70181	0.6
72.08144	0.3
73.06522	0.5
74.18488	0.3
78.01918	0.3
79.05478	21.6
79.64969	0.3
81.03402	23.5
81.07040	12.6
83.04958	4.8
83.08604	6.8
84.14595	0.3
85.02891	2.2
85.06506	0.9
86.09666	0.3
91.03922	0.4
91.05461	16.9
93.07027	20.2
95.04949	12.3
95.08580	6.7
97.02867	1.6
97.06508	1.6
97.10150	1.6
99.08064	0.4
105.04498	0.4
105.07008	13.3
107.04932	2.6
107.08569	5.8
109.06495	2.7
109.10126	1.3
111.04480	0.7
111.08056	2.6
115.05440	0.7
117.07001	2.6
119.08554	9.6
119.09410	0.5
121.06501	2.2
121.10107	3.2
123.08057	2.5
125.09586	0.5
128.06197	0.6
129.06976	7.1
131.08548	2.9
133.06450	1.4
133.10114	4.6
135.08003	0.4
135.11682	0.8
137.09575	0.6
141.06943	0.6
142.07710	0.9
143.08569	3.1
145.10094	3.6
147.08025	1.7
147.11659	14.5
149.09581	1.1
151.11209	0.4
157.10088	3.2
159.11736	0.6
161.09596	1.4
161.13257	4.3
163.03896	1.0
163.11147	0.8
165.12701	0.6
171.11652	7.8
175.11177	3.8
177.12680	0.4
179.14273	0.4
185.13205	0.5
189.12740	3.1
193.12213	7.9
205.12167	0.4
207.13770	9.1
211.13206	0.8
225.14755	0.4
249.14867	0.7
267.15860	30.4
281.17419	42.5
282.17810	0.6
301.14478	0.4
309.17203	0.5
381.24118	0.5
421.25748	1.1
447.27283	0.9
454.96271	0.3
455.27942	0.8
473.28909	100.0
474.29401	4.0
491.30066	3.2
499.11438	0.4
513.22961	0.4
515.29999	3.2
541.36938	0.3
566.76959	0.4
581.31024	1.7
599.31836	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80780	0.8
65.03918	0.9
67.05494	14.0
69.03420	3.1
69.07058	6.8
71.04970	2.7
71.08622	16.4
71.33064	1.9
71.93512	0.8
73.02901	2.7
79.05479	10.7
81.02936	1.7
81.03403	26.6
81.06609	1.4
81.07048	20.8
83.04976	6.8
83.08604	16.0
85.02893	16.2
85.06512	1.2
85.10172	9.2
87.04456	1.7
89.06017	1.4
91.03950	4.7
91.05457	14.5
93.07027	8.9
95.04960	11.7
95.08603	16.5
97.02881	4.8
97.06515	3.8
97.10160	4.1
105.07015	8.0
107.04927	2.9
107.08557	3.3
109.06503	2.6
109.10137	7.2
111.03076	0.9
111.04446	1.4
111.08090	4.1
113.05972	1.0
117.06971	1.3
119.04944	1.0
119.08563	8.1
119.21446	0.9
121.06431	1.3
121.10114	4.1
123.08102	1.1
123.11683	2.9
125.09632	1.0
127.03896	1.8
129.06953	5.0
131.08557	6.0
133.06508	1.6
133.10130	4.5
137.09615	0.9
140.40286	0.9
142.07800	1.1
145.04919	2.4
145.10091	1.2
147.11667	6.2
149.09572	2.6
157.10077	6.0
163.06032	3.1
163.11171	1.0
175.11154	5.3
193.12231	20.3
211.13258	22.0
239.23611	2.2
257.24841	1.9
267.15866	13.6
270.26297	0.8
285.16916	36.4
313.27322	65.3
314.27539	2.0
319.14819	1.1
335.72165	1.0
501.39203	2.1
505.38815	18.2
523.39874	100.0
524.39960	3.2
609.28528	1.0
664.82922	1.0
667.44470	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
62.60376	0.4
65.03913	1.2
65.72784	0.4
67.05493	20.9
69.03419	3.8
69.07057	9.7
70.83791	1.6
71.04981	3.3
71.08616	19.5
71.09008	1.0
73.02901	3.8
73.03806	0.5
77.03844	0.4
79.05476	15.4
81.03403	43.7
81.07040	26.2
83.04513	0.8
83.04965	10.1
83.08604	22.5
85.02886	26.7
85.06522	1.1
85.10168	10.8
87.04425	0.6
88.04684	0.4
89.05985	1.6
91.03940	7.5
91.05460	19.5
92.45487	0.4
93.07029	12.1
95.04951	18.6
95.08589	18.9
96.04466	0.7
97.02869	8.0
97.06506	2.9
97.10148	5.9
99.04393	1.1
99.08042	1.3
103.07543	0.7
105.06340	0.8
105.07008	13.8
107.04929	4.8
107.08565	4.3
109.02835	0.6
109.06487	3.0
109.10139	8.5
111.04407	1.3
111.08059	5.7
113.05937	1.6
115.03881	0.4
115.05415	0.8
117.06957	1.1
119.04907	0.6
119.07758	0.8
119.08555	12.4
121.10107	6.9
123.08062	2.4
123.11691	3.4
125.09568	1.4
127.03859	2.0
127.07555	0.6
128.06181	0.6
129.06982	7.5
131.08551	8.1
133.06396	1.2
133.09187	0.6
133.10104	7.3
137.09550	1.7
137.13179	0.9
142.07713	2.1
145.04907	2.1
145.10074	1.5
147.08046	2.6
147.11661	9.4
149.09596	5.1
151.14801	0.5
157.08878	0.6
157.10098	9.0
163.05998	2.7
165.12761	2.2
167.36227	0.4
175.09680	0.7
175.11151	10.2
193.12206	29.5
211.13254	46.5
212.13573	0.8
227.67886	0.4
239.23645	1.4
249.14830	0.8
249.18213	0.5
257.24759	1.2
267.15869	17.1
285.16913	63.9
286.17267	1.2
313.27307	64.8
314.27704	2.0
501.39371	1.1
505.38831	14.8
506.38931	0.8
523.39856	100.0
524.40302	4.1
677.25653	0.6
744.36688	0.5
757.19696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	0.5
67.05496	10.3
69.03411	2.2
69.07063	2.8
69.45889	3.3
70.06573	0.3
71.01342	0.6
71.04987	1.8
71.75369	0.3
73.02905	1.0
79.05483	11.2
81.03410	30.0
81.07047	10.2
81.07527	0.5
83.01337	2.3
83.04971	5.2
83.08608	8.7
85.02895	4.5
85.06524	0.9
90.04639	0.3
91.03950	2.1
91.05468	10.1
93.07036	11.7
93.36243	0.3
95.04955	10.4
95.08592	5.1
97.02888	3.0
97.06506	2.5
97.10151	5.4
98.21519	0.5
98.29778	0.3
99.04426	0.8
99.08061	0.4
103.05438	0.6
105.07017	7.2
107.04942	6.4
107.08580	6.7
109.02849	1.4
109.06505	2.9
109.10131	3.4
111.04410	2.1
111.08074	2.5
115.05446	0.8
117.07003	4.4
119.04945	0.7
119.08556	6.1
121.02852	0.4
121.06483	3.8
121.10146	4.4
123.04400	1.5
123.08063	3.2
123.11711	0.4
123.69321	0.3
125.02280	0.3
125.06018	0.4
125.09611	4.2
127.03915	1.0
128.06190	0.7
129.05493	0.4
129.06987	4.4
130.07806	0.5
131.04880	1.4
131.08553	4.5
133.06447	1.9
133.10120	2.8
135.04373	0.9
135.08041	2.1
135.11673	4.4
137.05974	1.1
137.09627	0.9
139.07536	0.3
141.06950	0.8
142.07774	0.8
143.08530	1.1
145.02841	0.5
145.04936	0.7
145.06471	2.7
145.10109	6.1
147.04417	1.3
147.08025	2.9
147.11679	2.7
149.05980	0.6
149.09615	2.5
151.07466	0.4
151.11163	0.4
153.09126	0.5
153.12712	1.6
155.08557	1.2
157.06491	0.9
157.10130	2.5
159.08029	1.1
159.11670	0.6
161.05946	3.2
161.09621	0.9
163.03909	4.1
163.06032	1.2
163.07446	0.6
163.11162	8.2
165.12727	0.6
169.06482	0.5
169.10170	0.4
171.08025	1.2
171.11624	0.5
173.05971	0.4
173.09590	2.0
173.11761	0.5
173.13161	0.3
175.07524	0.7
175.11157	3.1
177.12753	0.4
181.10141	0.5
181.12260	1.3
183.08090	0.6
183.11661	0.3
185.09615	0.4
185.13246	0.8
187.07550	0.7
187.11209	0.7
189.09079	1.0
189.11208	1.8
189.12627	0.4
191.10629	1.4
193.12230	6.8
195.11719	0.7
197.09637	0.6
199.11243	0.3
201.09087	0.4
203.14333	0.5
205.12238	1.2
207.13777	0.3
209.09900	0.4
209.11630	1.9
211.11186	1.0
211.13257	0.8
213.12700	0.7
215.10664	0.4
225.12794	0.7
227.10757	0.4
227.12660	2.0
229.12177	0.4
231.13719	1.5
235.13260	0.5
243.13762	0.9
249.14815	0.7
253.12135	0.4
255.13940	0.3
259.13354	0.6
265.14328	0.6
267.15884	15.4
268.16229	0.4
269.15515	0.8
271.13193	1.7
273.14850	2.3
283.15378	15.0
285.14722	0.5
287.16638	0.4
289.14346	2.7
299.16403	0.5
301.14426	1.0
303.15894	0.7
309.17142	0.6
318.91772	0.3
327.23273	0.4
337.21658	0.9
347.19855	0.7
355.22705	2.2
365.21069	3.1
373.23468	0.4
383.22122	14.1
384.22598	0.4
393.24368	0.4
401.23163	6.8
403.22711	0.4
407.23740	0.4
419.24341	1.6
421.23715	0.7
430.01468	0.3
431.24203	0.9
439.24753	1.6
457.25812	24.2
458.26215	0.9
475.26871	100.0
476.27197	3.2
489.28363	0.4
493.27948	9.0
499.26837	0.7
507.29260	0.6
517.27960	2.6
541.27594	0.9
571.28796	0.8
583.29474	1.4
601.29584	0.8
619.31274	0.9
701.05640	0.4
889.52252	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
65.53439	0.4
67.05517	1.3
69.03412	3.9
69.07039	1.0
70.12228	0.4
71.01341	0.7
71.08630	1.7
71.72290	0.6
73.02912	3.6
79.05477	1.2
81.03411	2.7
81.07061	1.8
83.04972	1.0
83.08629	1.1
85.02901	6.8
85.06547	0.5
85.10192	0.8
91.03952	3.6
91.05466	0.8
93.07052	2.0
95.08614	2.2
97.02876	6.0
99.04443	1.3
101.02361	2.4
105.07057	0.6
107.08603	1.0
109.02859	0.8
109.10165	0.7
119.08589	0.5
123.08067	0.7
127.03922	2.0
128.23061	0.5
145.10124	0.8
159.82739	0.5
163.11217	1.5
185.04274	0.7
203.05257	0.8
209.11749	0.6
243.08453	1.8
283.15439	0.9
287.61938	0.5
305.13846	0.7
313.27380	0.9
347.09622	2.1
365.10550	0.9
405.13516	5.2
467.18829	7.3
497.31018	4.5
629.24036	5.9
655.79523	0.6
659.36041	3.4
723.42639	1.2
885.48016	100.0
886.48077	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	886.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	0.9
67.05495	12.1
69.03418	2.9
69.07063	3.3
71.04974	2.3
73.02883	1.1
79.05479	13.9
81.03403	58.0
81.07043	13.5
82.03731	0.4
83.04974	6.1
83.08606	16.5
85.02895	9.2
85.06494	0.7
91.03921	1.6
91.05463	16.1
93.07024	9.0
95.04953	20.4
95.08594	5.7
96.25624	0.4
97.02869	3.8
97.06473	2.0
97.10149	4.7
99.08067	0.6
105.06344	0.8
105.07014	13.0
107.04340	0.5
107.04937	6.3
107.08037	0.5
107.08585	4.9
109.02808	0.5
109.06477	3.0
109.10130	2.9
111.04381	1.6
111.07412	0.6
111.08064	6.1
113.05939	1.1
115.05403	1.4
117.06265	0.5
117.06995	2.6
119.04955	0.9
119.08558	11.6
121.06464	3.3
121.10120	6.3
123.04386	0.9
123.08030	2.3
123.11687	0.8
125.09618	3.0
127.03872	0.8
128.06142	0.6
129.06094	0.7
129.06982	8.0
131.04884	0.9
131.07643	0.7
131.08542	8.8
133.06436	3.2
133.10100	5.5
135.08003	1.2
135.11664	0.5
137.05945	0.7
137.09587	0.9
142.07669	2.0
143.08542	0.9
145.06453	3.7
145.10081	1.8
147.04382	0.8
147.08047	2.9
147.11655	9.2
149.09605	4.8
153.09056	0.7
155.08557	0.9
157.06500	0.7
157.10107	9.7
159.07985	0.9
159.11705	0.7
161.05914	0.7
161.09583	0.7
163.03929	0.6
163.05939	0.9
163.07320	0.4
163.11089	1.6
165.12708	2.2
169.10074	0.6
171.08029	0.8
171.11581	1.1
173.09618	0.5
175.11159	10.8
183.08138	0.5
185.09554	1.4
187.11166	0.7
189.11200	1.6
193.12213	26.4
194.12520	1.0
195.07994	0.6
195.11665	1.3
197.13164	0.7
199.11131	0.6
205.12077	0.7
211.11284	1.0
211.13240	11.8
213.12723	0.8
227.12637	1.3
229.14265	1.0
233.15309	0.6
235.13213	0.7
237.12570	0.8
237.14844	0.6
239.14044	0.5
249.14775	1.6
255.13812	2.4
259.13171	0.7
267.15866	100.0
268.16129	3.2
273.14746	4.3
283.15002	0.6
285.16946	10.7
301.14166	1.3
309.16953	0.7
323.19803	0.5
339.23032	0.8
341.21097	1.8
349.21533	2.9
357.24109	1.0
367.22681	7.3
368.23047	0.5
385.23608	10.3
403.24811	2.7
405.24091	1.4
415.24805	0.9
433.25809	16.2
434.26138	0.6
441.26355	7.2
459.27356	83.7
460.27780	3.8
477.28409	44.1
478.28632	2.4
501.28464	2.0
509.31085	1.0
519.29498	2.7
520.37366	0.6
567.29370	0.9
573.30725	0.8
585.30334	1.9
603.31287	1.5
605.08234	0.5
621.32568	0.9
832.95111	0.6
903.15485	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	3.4
69.03423	3.9
69.07056	1.0
71.05007	0.6
71.08628	1.1
71.71102	0.7
73.02910	3.7
79.05495	2.2
81.03416	3.7
81.07037	3.6
83.04987	0.6
83.08617	1.4
85.02898	5.8
85.10189	1.1
91.03951	3.7
91.05479	1.9
93.07048	1.5
95.04964	1.3
95.08594	2.6
97.02892	5.2
97.24253	0.5
99.04440	0.8
101.02367	2.0
105.07014	1.7
109.02847	0.7
109.10166	1.8
119.08590	1.2
127.03933	1.6
129.07010	0.5
133.10158	2.3
149.09627	0.5
175.11247	0.9
185.04169	1.0
193.12325	1.6
203.05396	0.7
211.13263	0.6
243.08551	2.0
251.12511	0.6
308.36447	0.5
313.27499	1.8
347.09354	2.5
365.10709	1.1
395.15115	0.5
405.13797	5.0
422.67609	0.6
469.20483	8.2
497.30823	4.3
529.39545	0.7
631.25604	8.3
659.35754	3.7
725.44458	1.7
736.77374	0.7
887.49634	100.0
888.49988	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	888.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
64.84377	2.5
65.03926	3.3
67.05494	100.0
69.03420	9.8
69.07060	24.6
69.89140	2.5
71.04964	6.2
71.71545	5.0
73.02907	4.0
79.05484	46.3
81.03404	16.1
81.07040	71.2
83.04977	13.2
83.08613	22.0
85.02885	14.2
85.06524	5.2
87.04440	4.2
88.33977	2.4
91.05467	43.4
93.07033	48.9
94.57283	2.9
95.04949	13.4
95.08603	32.4
97.02863	7.2
97.06513	10.3
97.10168	12.7
99.08083	4.0
104.18459	2.6
105.07018	33.3
107.04924	7.1
107.08577	27.1
109.06495	8.4
109.10135	57.7
111.08047	8.6
117.07028	14.9
119.08560	25.0
121.06496	4.4
121.10120	20.7
123.11687	3.7
125.09593	18.7
127.03843	3.6
129.05476	4.6
129.06984	4.5
131.08549	13.0
133.10091	15.7
135.08035	5.0
135.11711	15.3
137.09630	6.0
141.06940	3.5
145.10120	11.7
147.11691	12.5
149.09592	11.0
149.13243	11.4
153.12692	3.2
157.10010	5.1
157.62009	2.6
159.11661	11.1
161.13257	4.1
163.11188	16.4
171.11684	5.2
173.11716	18.6
173.13145	4.8
174.05499	2.5
175.11247	3.0
177.12729	4.3
179.14368	3.1
181.12167	3.5
187.14708	2.6
189.11159	3.6
191.10744	4.6
195.13782	8.5
199.13277	5.9
209.11696	6.2
211.13210	4.6
220.67126	2.3
227.12761	12.4
229.14288	48.0
255.15820	14.4
257.19006	5.0
267.15866	7.8
269.17432	24.0
275.19980	24.2
283.15387	4.6
293.21289	3.3
301.16452	12.5
333.24759	2.8
349.23581	15.8
399.23785	24.7
409.25790	9.1
423.27316	32.6
495.29297	4.6
503.33301	9.5
593.36621	33.0
673.42725	3.3
888.49878	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	889.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.6
67.05496	3.1
69.03408	3.5
69.84571	9.2
71.04978	2.9
73.02901	1.4
79.05463	6.1
80.04965	1.8
81.03422	8.2
81.07031	3.4
82.06576	3.3
85.02875	6.0
85.81110	1.1
89.03855	2.1
91.05458	5.6
93.05775	1.8
93.07040	6.9
94.06554	11.9
95.04943	3.2
95.07316	4.3
95.08578	1.4
96.08110	11.5
97.02871	4.5
97.65865	1.1
99.04436	2.5
100.36028	1.2
103.05454	3.2
105.05753	1.5
105.07047	3.0
106.06574	3.1
108.04444	3.2
108.08093	16.4
109.02865	3.2
109.10127	1.8
110.09656	13.0
116.04971	3.9
118.06509	1.8
119.08546	1.7
120.04446	5.4
120.08051	14.4
122.06030	8.5
122.09649	2.2
124.07558	7.2
125.82903	1.4
127.03879	2.7
131.04897	2.2
131.08539	2.3
132.08116	1.5
133.10123	1.9
134.05989	5.6
135.04456	2.6
136.07549	15.0
137.05882	1.7
138.05424	1.3
138.09119	20.9
144.04436	7.4
146.05981	16.7
147.04390	2.8
148.07556	8.5
158.09572	2.2
160.03911	6.8
160.07481	3.2
162.05476	5.4
163.03859	4.0
164.07095	2.9
166.08617	18.8
167.07211	2.5
172.03912	32.6
172.07541	3.0
172.59914	1.3
174.05464	5.7
174.09096	2.2
174.72678	1.5
176.06990	4.2
177.05411	1.5
178.04997	1.7
182.09689	1.4
183.09137	1.5
184.07523	2.9
184.09798	2.5
186.09109	2.6
190.04950	23.0
196.09915	1.9
197.10683	4.6
198.09128	2.3
198.11452	1.7
199.12305	10.3
200.07152	1.6
204.04610	2.4
204.06519	41.3
204.08371	2.4
209.10739	3.8
210.09068	3.8
210.11334	2.1
211.08655	5.6
211.12244	2.3
212.09402	5.5
213.10161	2.8
215.11993	1.6
221.10692	1.4
223.12306	3.1
224.09406	2.5
224.12885	1.7
225.10199	17.0
226.08730	1.3
226.10815	3.9
227.11746	66.0
235.08565	2.4
236.09369	1.7
237.10201	10.3
238.10979	3.7
239.11810	7.4
240.12376	2.1
241.09761	2.5
241.13309	5.2
245.12901	1.8
246.11346	1.6
249.10153	4.2
250.10956	2.2
251.11708	5.6
252.09019	1.3
253.09612	9.0
253.13300	3.5
255.11229	3.7
263.08026	4.5
263.11713	2.4
264.09036	4.0
265.09662	10.1
265.12967	2.1
266.10516	2.2
267.11307	8.8
269.12823	21.4
271.10745	11.0
271.14099	2.0
273.12222	3.2
273.15613	1.3
277.09604	4.4
279.11285	10.7
281.12689	4.3
283.10654	4.2
284.11533	2.2
285.12277	7.9
287.13937	6.9
289.13284	1.5
293.09229	1.8
293.12704	2.6
295.10907	2.1
296.24161	1.4
297.12262	14.5
299.13928	13.8
301.12161	2.5
301.15665	1.7
302.12982	1.4
304.14597	1.6
305.09186	2.7
305.12494	1.5
307.10733	2.8
311.13980	3.0
312.15036	2.7
313.11761	3.2
314.12918	3.1
315.13614	4.0
316.14383	3.4
317.15118	3.7
318.15955	3.3
325.11725	15.2
326.12924	2.1
326.16507	2.4
327.13733	3.0
328.10867	4.1
328.14407	6.2
329.11447	3.1
329.14996	13.1
330.12204	4.1
330.15881	8.6
331.16702	3.6
339.13391	4.6
340.14401	2.1
341.11490	1.8
342.12256	11.4
342.16202	3.7
343.12949	10.4
343.16595	2.6
344.13965	3.0
344.17578	2.2
352.14609	2.0
354.12094	2.7
354.15964	3.5
355.13211	4.9
356.13751	12.3
357.14502	15.4
358.15417	18.1
359.16098	2.3
360.17035	2.6
363.13022	1.7
365.11118	1.9
367.12915	1.8
368.13974	2.8
369.14499	5.6
370.11386	1.7
370.15674	8.7
371.11554	1.7
371.16147	4.0
372.17242	8.2
373.17740	1.7
377.14944	1.7
378.18066	1.7
380.13626	2.9
381.14127	2.8
382.11563	6.3
383.12555	5.9
384.13263	8.2
384.17435	2.6
385.14111	2.3
386.14551	6.6
386.19232	2.4
387.15598	2.6
390.18073	1.8
394.15305	2.8
395.16025	16.0
396.12744	1.8
396.17264	2.5
397.14124	2.6
398.14886	33.8
399.15652	35.3
400.16483	7.2
402.18488	1.6
404.15955	2.4
405.14932	1.8
412.16412	5.9
413.16974	19.5
414.17847	4.9
416.16049	4.7
417.16788	2.5
418.17502	2.9
427.15140	1.8
428.15564	2.0
429.16428	1.8
430.17651	4.9
431.18100	17.9
432.18933	2.9
439.14667	1.3
440.15851	6.1
441.16425	4.4
446.17035	2.1
448.27667	2.3
449.19128	1.5
458.16989	5.1
472.18433	1.6
482.17053	1.6
500.17856	2.3
501.22827	2.2
502.19479	1.6
504.20969	2.8
514.19415	1.6
515.23871	3.0
522.21387	2.3
530.18427	2.3
534.22296	1.7
540.20996	4.2
546.21826	2.0
548.20129	4.3
551.22565	2.6
554.18781	3.0
556.20782	2.5
558.21912	3.9
560.20111	7.7
564.22876	1.4
566.19165	2.4
572.20435	7.0
576.22919	5.8
584.20154	9.7
590.21234	21.8
591.21399	1.7
593.23303	1.6
594.24860	1.5
602.11963	2.5
602.21259	49.8
603.21173	4.5
604.22388	1.9
608.21820	5.0
611.24310	3.3
620.22272	18.2
621.22595	1.6
622.24103	2.8
630.20056	1.6
634.23157	3.8
635.24310	1.6
652.24854	3.2
653.25702	3.2
663.28644	2.3
673.25818	3.2
674.27008	8.3
675.27704	3.1
686.26697	8.6
687.29022	1.9
691.26953	5.5
692.27655	5.6
693.28943	7.8
701.25037	3.0
704.28009	12.5
709.27765	4.6
711.30023	6.5
713.27972	2.7
713.77722	1.6
719.26965	23.7
720.27924	1.6
727.29083	8.9
729.31757	7.7
729.43036	1.8
737.28021	22.4
738.27496	1.6
751.29681	2.3
755.29047	100.0
756.29468	7.2
773.30121	19.1
774.30353	2.0
787.31201	7.4
805.33112	2.1
813.35785	2.2
839.34418	10.5
857.35370	9.7
889.40277	19.9
890.40466	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03894	0.8
67.05491	7.9
69.03413	1.6
69.07061	4.1
71.01347	1.2
71.04976	1.3
71.08244	1.2
71.08620	12.4
71.71337	1.3
73.02907	2.8
79.05478	7.5
79.36579	0.7
81.03410	4.9
81.07048	12.9
83.01332	3.6
83.04958	5.1
83.08607	8.4
84.55885	0.7
85.02893	10.5
85.06522	0.8
85.10165	5.8
89.06017	0.9
91.03944	6.3
91.05487	6.0
93.07024	10.1
95.04950	2.9
95.08584	10.2
97.02882	6.5
97.06529	2.0
97.10152	3.9
99.04460	2.7
105.07037	3.8
107.04932	3.5
107.08580	5.4
109.06496	2.8
109.10155	5.8
111.04436	0.9
111.08104	1.2
111.11721	0.8
114.40873	0.8
117.06999	3.0
119.08530	3.7
121.06498	1.8
121.10123	5.0
123.08041	5.2
123.11680	1.4
125.09590	0.8
127.03912	2.5
131.08557	1.2
133.10101	1.7
135.08005	0.9
135.11688	6.1
137.09579	1.1
137.13322	1.0
143.08481	0.9
145.04941	3.6
145.10095	9.1
147.08046	1.4
153.12633	1.2
155.08499	1.1
163.05989	3.2
163.11153	10.8
168.46654	0.7
173.09622	2.0
181.12183	1.7
191.10522	1.1
209.11690	4.3
227.12836	2.6
283.15359	100.0
284.15768	2.8
327.28888	72.8
328.29230	2.7
410.87311	0.8
477.97803	0.8
535.39850	51.4
536.40039	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	896.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	10.6
69.03374	2.0
69.07053	5.7
71.01312	1.0
71.04951	0.9
71.08617	14.9
71.70731	0.6
71.71121	0.6
72.19903	0.4
73.02910	2.7
79.05489	4.2
81.03405	2.7
81.07045	15.3
82.07352	0.6
83.04916	2.1
83.08604	9.9
85.02895	10.2
85.06509	1.0
85.10171	8.9
87.04411	0.5
89.05984	0.7
91.03936	5.3
91.05470	10.4
93.06520	0.6
93.07030	7.5
95.04973	2.5
95.08594	13.2
97.02323	0.5
97.02869	6.6
97.06476	1.7
97.10149	3.8
99.00800	11.5
99.04422	1.1
99.08016	0.7
99.11700	0.6
101.02351	0.6
101.64325	0.5
103.05430	0.8
104.53726	0.4
105.07030	7.2
107.04940	3.3
107.08568	4.7
109.02865	6.2
109.06451	1.6
109.10139	8.9
109.34708	0.4
111.04420	1.0
111.08020	2.1
111.11691	0.5
112.99960	0.6
115.03904	2.5
117.07019	2.3
119.04884	0.6
119.08582	5.3
121.06506	4.2
123.04398	1.1
123.08026	0.7
123.11663	2.8
127.03915	4.3
128.06175	0.8
131.08513	1.1
133.06400	0.9
133.10109	25.5
135.07990	0.9
135.11650	0.8
137.05864	0.8
137.09552	1.0
137.13155	0.9
139.07515	3.0
143.08562	3.6
145.04933	2.7
145.06461	0.9
145.10135	0.6
147.04330	0.5
147.08020	0.5
151.11162	8.5
160.23750	0.5
161.09592	13.2
163.05942	2.7
163.11060	0.6
171.08012	2.4
179.10669	7.9
184.07314	1.8
189.09079	6.8
190.09280	0.5
197.11711	2.4
207.10150	2.3
208.10454	0.5
225.11197	7.4
234.94589	0.5
239.23550	1.4
243.12254	2.2
248.21423	0.5
257.24640	1.2
281.13831	3.9
299.14853	100.0
300.15097	3.1
313.27325	81.8
314.27557	2.6
337.27213	0.7
447.30573	0.5
537.37793	52.3
538.38232	2.9
924.05609	0.6
924.32727	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	7.1
67.05141	3.9
67.05496	78.2
69.03416	17.0
69.07065	23.7
69.99612	12.8
71.04967	9.4
73.02901	3.1
75.55787	2.3
77.03927	2.1
79.05482	100.0
80.05814	2.4
81.03407	40.9
81.07044	90.5
83.04978	16.9
83.08611	16.6
85.02879	21.2
85.06527	5.4
91.03927	5.6
91.05469	84.5
93.07030	92.0
95.04385	3.1
95.04951	31.7
95.08591	46.2
97.02884	22.5
97.06506	24.6
97.10158	11.5
99.04450	4.9
99.08048	3.3
103.11580	2.1
105.04498	3.0
105.07013	78.5
107.04952	18.0
107.08577	50.7
109.02831	6.7
109.06496	15.4
109.10114	16.6
111.08041	5.6
115.05456	5.8
117.06996	22.8
119.04894	2.7
119.08563	44.2
121.06489	8.6
121.10143	18.7
123.08030	7.0
123.11677	4.2
125.09612	9.7
127.03873	8.7
128.06201	4.3
129.05484	4.4
129.06996	27.1
131.04935	4.5
131.08549	23.4
133.06441	5.1
133.10118	35.1
134.36107	2.0
135.08055	10.1
135.11679	12.0
137.09549	4.6
141.06923	2.2
141.09024	2.0
143.08540	15.6
145.04961	3.6
145.06485	2.8
145.10101	31.0
147.08031	6.0
147.11662	48.5
147.37181	2.2
149.09593	17.2
149.13222	7.7
151.11174	4.5
153.09122	2.4
155.08516	5.2
156.09245	2.3
157.06506	2.5
157.10097	7.7
159.08003	5.8
159.11699	13.1
161.09584	5.7
161.13246	15.9
163.11147	7.7
165.09122	2.3
165.12584	2.5
167.08640	2.3
169.10052	5.2
171.10333	4.3
171.11650	28.8
173.04388	14.6
173.09705	2.1
173.13184	7.7
175.11134	3.6
177.12775	5.5
179.14259	3.3
181.10092	3.5
183.11615	4.4
187.11086	3.5
189.11198	4.7
189.12717	10.5
195.13821	4.4
197.13144	2.9
207.13760	29.4
217.15895	2.9
219.17403	2.3
225.14774	3.7
227.12735	25.2
239.18008	3.5
249.18459	5.5
257.18951	13.3
267.15869	3.5
269.17499	6.0
274.73825	2.2
275.20032	57.7
279.15848	4.2
281.17422	81.6
282.17715	2.8
287.16510	3.6
291.19562	2.9
293.21124	6.0
299.20233	2.6
306.37039	2.3
349.23712	33.4
367.24741	2.8
373.23477	3.6
377.23196	5.4
401.22681	2.5
413.21582	6.1
435.26929	3.6
451.26935	11.1
459.30951	4.0
475.30490	77.3
476.30460	2.7
537.35797	3.2
555.36810	71.2
556.37012	4.3
573.37787	22.6
597.37970	2.7
619.34772	19.5
635.39215	4.4
699.40784	5.2
717.41681	5.5
897.48407	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	899.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
65.17948	4.0
68.84203	4.1
69.59435	26.2
69.59841	5.0
82.63470	4.1
134.53140	3.4
168.90503	3.8
223.21133	4.0
262.62094	4.4
625.27734	3.8
814.65552	4.2
899.47559	100.0
900.45349	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	900.5293
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	1.9
67.05491	35.2
69.03423	1.5
69.07053	7.4
70.31805	2.7
71.04971	2.0
71.08595	0.9
73.02885	1.1
73.06540	0.8
79.05476	40.6
81.03397	3.3
81.07038	34.7
82.53620	0.6
83.04970	6.1
83.08606	5.1
85.02894	3.8
85.06529	1.4
91.03930	2.1
91.05458	29.9
93.07024	44.7
94.51531	0.6
95.04945	11.1
95.08584	25.4
97.02869	2.0
97.06516	2.2
97.10155	1.5
105.04504	0.7
105.07002	22.3
107.03470	0.5
107.04967	3.2
107.08571	14.4
109.06481	3.2
109.10137	7.8
111.08056	1.2
117.07001	5.8
119.08546	14.0
121.06498	1.7
121.10119	7.8
123.07993	2.7
123.11691	1.8
127.07526	1.3
128.06219	1.0
129.06979	7.3
130.07835	0.7
131.08508	3.7
133.10097	7.3
135.11667	4.6
135.24867	0.6
143.08492	3.8
145.04881	1.0
145.10109	6.6
147.07945	0.8
147.11656	19.7
149.13234	1.8
151.11151	0.8
159.11649	1.3
161.09590	2.1
161.13243	7.8
163.05978	0.5
163.14757	1.6
171.11658	14.0
173.13237	1.5
177.12834	0.7
189.12700	5.1
207.13751	16.9
208.31804	0.6
240.35437	0.6
243.21095	1.1
261.22144	4.0
279.15790	2.7
281.17419	55.4
282.17862	1.3
283.19110	0.8
317.24860	1.6
335.25732	40.9
336.26248	0.7
347.83804	0.6
431.32944	0.7
449.33768	1.1
467.35275	0.8
518.17181	0.6
523.38824	1.7
541.38794	100.0
542.39032	3.1
547.39508	0.6
559.39789	2.4
749.49713	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5298
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.8
67.05493	32.6
69.03397	1.0
69.07055	8.6
69.38792	7.0
71.04974	1.2
71.08618	1.2
73.02893	1.5
73.06529	0.8
77.03912	0.8
79.05480	35.2
81.03401	3.3
81.07044	30.2
83.04967	5.8
83.08599	5.0
85.02901	4.7
85.06520	1.4
85.10161	1.1
91.03942	2.2
91.05463	25.0
93.07028	37.9
95.04949	9.8
95.08590	21.5
95.09195	1.2
95.64809	0.6
97.02878	1.1
97.06513	2.0
97.10159	2.0
98.20721	1.3
99.08062	0.8
105.04472	1.0
105.06328	1.2
105.07014	18.5
107.04955	2.7
107.08575	14.1
109.06513	2.4
109.10148	8.2
111.08077	1.1
115.05396	0.7
116.04731	0.7
117.06985	4.9
119.08564	11.3
121.10129	8.3
123.08037	2.0
123.11710	1.9
125.09612	0.8
128.06209	0.7
129.05467	0.8
129.06990	7.2
131.08568	5.1
133.10121	6.4
135.08003	1.0
135.11656	4.9
136.42119	0.6
143.08565	3.7
145.04907	0.6
145.10109	6.6
147.08034	0.8
147.11662	15.0
149.13260	1.6
154.66110	0.6
159.11630	2.0
161.09612	1.1
161.13210	4.0
163.06006	0.9
163.14772	1.0
171.11655	7.3
173.13306	1.9
182.14204	0.6
187.14807	0.8
189.12733	3.0
202.16245	0.6
207.13765	7.6
215.01666	0.7
243.21277	1.0
261.22137	3.8
279.15869	1.5
281.17426	25.0
285.16867	0.8
301.16455	2.4
302.16791	1.7
303.17139	0.8
313.27347	2.6
314.27621	1.5
317.24643	0.7
335.25754	34.9
336.25970	0.9
359.67175	0.7
449.33847	1.0
483.75824	0.6
498.46506	0.7
523.38934	0.8
539.39545	0.8
540.39966	1.2
541.38818	100.0
542.39313	4.8
549.78094	0.6
559.40057	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
63.75628	0.3
65.03892	1.3
65.20110	0.3
66.24530	0.3
67.05493	32.8
69.03411	3.5
69.07054	8.1
69.72546	2.5
71.01318	1.0
71.04973	3.2
71.08591	0.5
73.02901	3.8
76.61264	0.3
77.03891	0.6
79.05479	26.1
81.03399	10.0
81.07041	38.3
83.01318	5.3
83.04967	8.1
83.08603	11.6
85.02888	17.2
85.06503	1.6
85.10111	0.5
91.03376	0.5
91.03940	10.9
91.05463	19.5
93.07027	36.6
95.04411	0.6
95.04953	7.7
95.08585	28.5
96.04479	0.5
97.02878	9.4
97.06507	4.3
97.10149	4.7
99.04435	2.9
99.08058	1.3
103.05440	0.8
105.04485	0.8
105.07013	14.6
106.07327	0.4
107.04237	0.4
107.04937	6.2
107.08571	22.2
109.02809	1.0
109.06503	5.3
109.09418	0.7
109.10134	11.8
111.04414	2.8
111.08067	2.5
111.11665	0.4
115.03902	0.9
115.05412	1.0
117.06998	8.8
117.85429	0.3
119.07737	0.7
119.08554	12.3
121.06503	2.9
121.10123	16.4
123.04382	0.5
123.07240	0.6
123.08050	6.9
123.11684	4.0
125.05968	1.2
125.08810	0.4
125.09613	4.3
125.60155	0.3
127.03895	4.4
128.06125	0.4
129.05432	0.7
129.06995	2.1
130.07736	0.6
131.08549	10.0
133.10104	6.8
135.08052	2.1
135.11670	17.9
137.09581	1.7
137.13210	1.7
138.61446	0.4
139.07465	0.5
143.08540	2.0
144.06569	0.4
145.04907	5.0
145.06392	0.7
145.10094	18.2
147.06952	0.4
147.08025	1.8
147.11658	5.1
149.09549	1.1
149.13237	4.8
151.11099	0.7
153.08957	0.5
153.12730	2.3
155.08475	1.4
157.10095	1.5
159.11679	4.6
161.13231	3.7
163.06003	5.4
163.11151	20.4
163.14777	2.4
164.11470	0.4
169.10025	0.6
170.85556	0.3
171.10159	0.5
171.11617	0.9
173.09650	2.9
173.11842	0.5
173.13232	4.9
175.11108	0.8
175.14798	1.5
175.23886	0.3
177.12671	0.4
177.16348	0.9
180.08623	0.8
181.12204	3.4
183.11577	0.5
185.13200	1.4
187.14809	2.4
189.11192	2.7
191.10651	2.8
193.12204	1.8
197.13266	0.7
199.14780	1.0
201.16313	1.2
205.15872	0.4
209.11676	6.5
209.13515	0.5
211.13269	1.4
213.16327	0.4
215.17967	0.6
227.12729	11.6
233.22722	0.5
241.19594	0.7
243.21039	5.1
245.13776	0.6
255.21167	0.4
259.20593	1.8
261.22101	14.9
267.15875	2.7
268.16229	0.6
273.22150	0.6
273.85617	0.4
277.21405	0.4
279.23135	0.7
283.15353	100.0
284.15695	2.4
285.16937	0.8
297.22153	0.4
299.23636	4.8
301.21838	0.7
313.27325	0.5
317.24634	4.2
333.24255	2.4
335.25748	66.2
336.25970	1.7
405.31461	0.5
423.32458	0.9
429.14133	0.4
433.31018	2.2
451.31967	4.3
469.33118	4.0
487.34131	1.6
495.50006	0.4
506.88382	0.4
515.37329	1.0
517.35052	0.5
525.35632	6.2
543.36725	56.4
544.37225	2.5
561.37732	3.7
780.52686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03897	2.2
67.05493	42.0
68.05809	0.7
69.03419	4.3
69.03754	0.9
69.07057	11.6
71.01323	0.6
71.04980	4.7
71.08585	1.5
73.02902	4.6
79.05481	38.6
81.03405	11.9
81.07043	49.0
82.69737	0.5
83.00919	0.7
83.01323	6.8
83.04973	10.9
83.08607	13.5
85.02891	17.7
85.06495	2.4
85.30717	0.6
88.07595	0.6
91.03457	0.8
91.03947	12.4
91.05469	22.9
91.44481	0.5
91.71606	0.6
93.07030	47.3
95.04958	8.1
95.08591	34.6
97.02873	11.2
97.06513	5.0
97.10137	4.0
98.20657	1.1
99.04436	2.7
99.08053	1.6
103.05437	1.2
105.06339	1.1
105.07013	17.2
107.04945	6.7
107.08577	24.4
107.09310	1.2
109.02821	1.2
109.06489	6.1
109.10142	16.1
111.04384	2.2
111.08036	2.5
111.11697	0.7
115.03870	0.7
117.06994	9.7
119.08565	15.7
121.06531	2.7
121.10129	22.4
123.08052	6.5
123.11700	4.5
125.05920	1.6
125.09611	4.6
127.03194	0.6
127.03897	5.6
128.06114	0.5
129.06964	2.3
130.07735	0.8
131.08553	11.7
133.10114	10.7
135.08008	2.1
135.11671	21.9
137.09575	1.8
137.13213	1.6
139.11127	0.8
143.08539	2.0
144.06505	1.0
145.04907	5.1
145.06416	0.9
145.10110	18.6
147.07994	1.6
147.11656	5.4
149.09576	1.0
149.13234	6.7
151.11128	0.8
153.12717	3.1
155.08562	1.4
157.10094	1.7
159.11684	6.3
161.13232	5.4
163.05986	5.6
163.11156	20.2
163.14810	4.5
165.12624	0.7
169.10075	0.6
171.11633	1.2
173.09642	3.5
173.13232	5.0
174.13535	0.5
175.11087	0.6
175.14812	1.5
177.12692	0.8
177.16336	1.1
181.12231	3.5
183.11626	0.8
185.13199	1.0
187.14793	2.7
189.11140	3.0
189.16281	0.6
191.10620	3.2
193.12221	2.1
195.13914	0.6
197.13237	0.7
199.14746	0.9
201.16354	1.4
209.09833	0.9
209.11687	6.6
210.43776	0.5
211.13210	1.7
227.12732	11.1
227.20038	1.4
229.46509	0.8
241.19452	0.9
243.21057	6.4
245.13777	1.1
259.20535	2.4
261.22104	20.3
267.15936	4.0
268.16226	1.4
273.22037	0.8
277.21585	0.8
283.15363	100.0
284.15778	2.2
284.18973	0.6
285.16809	0.8
297.21982	0.8
299.23605	5.4
301.21750	0.9
313.27356	1.5
314.27676	1.0
315.28165	0.7
317.24744	5.7
333.24289	2.9
335.25751	98.7
336.26117	3.2
415.30020	1.0
423.32718	1.1
433.31326	3.0
433.36374	0.6
446.36246	0.5
451.31943	4.5
469.33160	3.7
487.34171	1.5
488.33936	0.6
505.38974	0.9
506.39200	1.8
507.39282	1.9
515.37103	1.5
525.35608	8.4
543.36743	97.7
544.37115	4.6
561.37946	5.3
841.21362	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	2.7
67.05495	43.9
69.03427	4.4
69.07059	10.2
70.97112	1.2
71.01325	0.8
71.04982	4.3
73.02911	3.4
73.06518	0.5
77.03882	0.8
79.05482	34.7
80.05801	0.4
81.03406	50.1
81.07043	48.3
82.03725	0.6
82.07344	1.0
83.04968	14.5
83.08101	0.8
83.08606	20.3
85.02893	29.1
85.06522	2.1
88.75102	0.4
91.03944	7.6
91.05466	33.3
93.07028	33.4
94.07355	0.4
95.04953	20.2
95.08592	28.6
96.08922	0.7
97.02880	8.8
97.03481	0.3
97.05946	0.4
97.06514	4.5
97.10153	4.2
99.04406	1.1
99.08051	1.4
105.04506	0.6
105.07014	26.3
107.04951	4.2
107.08579	17.7
107.09325	0.8
109.02871	0.7
109.06503	4.5
109.10138	11.2
110.10427	0.4
111.04436	2.1
111.08062	8.1
111.91109	0.4
113.05981	2.2
115.03881	0.6
115.05415	1.7
117.07005	4.9
119.04889	0.4
119.08563	20.9
121.06456	1.5
121.10125	17.7
123.08041	2.8
123.10909	0.5
123.11695	4.7
125.05927	0.5
125.09575	1.6
127.03900	3.0
128.06190	0.9
129.06104	0.5
129.06992	8.8
131.08546	15.9
133.06442	2.2
133.10100	14.2
135.08029	0.5
135.11678	7.6
137.09590	1.6
137.13211	0.9
139.11110	0.8
142.07784	2.6
143.08504	0.9
145.04967	3.5
145.06013	0.6
145.10106	7.1
147.08032	2.3
147.11667	14.5
148.12050	0.4
149.09602	5.6
149.13248	4.1
151.11162	0.5
151.14725	0.4
155.08557	0.8
157.10101	12.0
159.11705	3.0
161.13237	3.1
163.06021	3.5
163.11142	1.5
163.14815	2.0
165.12735	3.1
169.10135	0.9
171.11649	1.1
173.11792	0.8
173.13194	3.6
175.09651	0.8
175.11154	12.2
175.14856	0.8
176.44331	0.4
177.12723	0.6
177.16379	1.0
179.93532	0.4
181.12134	0.5
183.11626	0.5
185.13278	0.7
187.14706	1.9
189.11183	0.9
189.16365	0.8
193.12215	38.6
194.12587	0.8
197.13387	0.4
199.14751	0.5
201.16351	1.2
205.15756	0.4
209.13226	0.5
211.13263	65.3
212.13560	1.5
227.12711	1.0
229.14349	0.8
236.28787	0.4
238.00505	0.4
243.21078	2.9
249.14755	0.9
261.22113	10.9
267.15869	13.7
269.17535	0.5
279.23154	0.5
283.15408	0.7
285.16922	75.5
286.17331	2.0
299.23499	0.6
301.25131	0.8
303.23184	0.6
317.24738	2.7
327.23251	0.5
333.24347	0.6
335.25760	69.9
336.26099	3.5
404.67758	0.4
417.31476	1.3
435.27313	0.5
435.32291	2.4
453.33673	3.1
457.36652	1.3
458.32715	0.7
458.37869	0.5
471.34543	1.3
527.37274	13.4
528.37335	1.2
545.38312	100.0
546.38654	6.7
563.39374	1.2
689.41992	0.7
779.90369	0.4
850.49658	0.4
900.10004	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03889	1.8
67.05494	38.2
69.03411	3.8
69.07059	8.5
71.04979	3.4
71.06802	1.3
73.02876	2.0
79.05481	31.0
81.03404	34.0
81.03862	1.1
81.07043	40.4
82.07346	0.8
83.04965	8.6
83.08607	14.1
85.02895	20.8
85.06487	1.8
91.03945	5.6
91.05467	26.2
92.05758	0.5
93.07029	32.2
95.04954	17.0
95.08590	27.4
96.04443	0.6
96.08897	0.5
97.02865	6.6
97.06515	3.2
97.10155	4.5
99.04436	0.7
99.08068	1.2
105.04499	0.7
105.07014	21.1
107.04949	4.0
107.08579	15.8
109.06506	3.2
109.10137	12.5
111.04411	1.2
111.08055	6.3
113.05962	0.8
115.05406	1.1
117.07001	4.4
119.07757	1.2
119.08556	17.2
120.08835	0.6
121.06474	1.4
121.10128	13.9
123.08050	2.5
123.11679	4.2
125.09565	1.4
127.03848	1.9
129.06987	7.5
131.07654	0.8
131.08553	11.1
133.06429	1.5
133.10107	11.0
135.07898	0.4
135.11668	7.9
137.09537	1.7
137.13211	1.1
142.07709	2.1
143.08502	1.2
145.04910	2.4
145.10104	5.7
147.07976	2.3
147.11662	12.6
149.09595	3.9
149.13251	3.5
151.11197	0.7
157.10092	9.5
159.11702	3.5
161.13170	2.2
163.06038	2.9
163.11185	1.1
163.14748	1.7
165.12730	2.3
171.11694	1.1
173.13194	3.9
175.11165	8.0
175.14777	1.2
183.11472	0.5
187.14803	1.6
193.12212	26.6
194.12590	0.8
201.16351	0.6
211.13264	33.8
212.13585	1.0
212.26848	0.4
227.12675	1.1
229.14259	0.5
243.21022	3.2
261.22116	9.4
267.15881	11.3
280.80893	0.5
285.16925	44.1
286.17395	1.3
301.25284	1.0
317.24747	1.7
335.25751	70.2
336.26071	3.3
340.42056	0.6
417.31738	0.8
435.32578	1.6
453.33527	1.7
471.35004	1.2
527.37268	12.5
528.37756	1.3
545.38306	100.0
546.38794	6.0
563.39545	0.7
643.76654	0.5
785.20044	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
64.23351	0.9
67.05179	1.3
67.05492	13.6
69.03428	1.6
69.06741	1.2
69.07060	13.1
70.94435	1.0
71.04962	1.3
71.08598	2.6
71.71227	1.4
72.10903	0.9
73.02913	2.3
79.05476	10.8
81.03397	5.6
81.07037	16.9
83.01320	4.5
83.04969	7.4
83.08598	21.6
85.02885	11.2
85.06515	1.1
91.03939	6.6
91.05453	6.5
93.07035	15.5
95.04947	4.3
95.08583	16.1
96.43570	1.1
97.02872	5.5
97.06508	3.9
97.10140	7.7
99.04401	1.8
100.59439	1.0
105.06989	4.6
107.04922	2.8
107.08567	9.8
109.06504	5.2
109.10121	5.5
111.08035	2.3
111.11757	1.5
117.06957	4.4
119.08540	4.6
121.06461	1.4
121.10113	9.6
123.08041	4.4
123.11687	2.1
125.05930	1.1
127.03901	2.4
131.08514	1.4
133.10100	1.6
135.08057	0.9
135.11655	9.1
137.09555	1.6
145.04903	3.0
145.10095	8.4
149.13145	1.3
153.12685	1.9
163.06015	2.8
163.11145	15.9
163.14888	1.0
173.09653	2.3
181.12210	1.5
191.10658	1.7
209.11671	3.2
227.12723	3.6
283.15366	100.0
284.15598	1.8
339.28897	59.2
340.29041	1.3
394.95901	1.2
547.39856	47.1
548.39795	2.3
726.45532	1.1
766.95911	1.0
901.88361	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5559
Annotation	Unknow
Peak:m/z	Relative Intensity
64.21095	0.6
65.03917	1.1
67.05494	11.8
69.03406	2.8
69.07050	5.2
71.01350	0.6
71.04964	1.9
71.08244	1.1
71.08619	14.2
71.17364	1.2
73.02892	3.4
74.55788	0.7
79.05476	9.9
81.03405	5.6
81.07040	14.1
83.01333	6.0
83.04961	6.7
83.08600	9.9
83.32722	0.7
85.02895	13.3
85.09731	0.9
85.10167	9.3
89.06001	1.1
89.70874	0.5
91.03938	6.9
91.05460	6.5
93.07025	14.3
95.04961	3.6
95.08588	12.2
97.02869	6.6
97.06498	2.1
97.10151	3.8
99.04403	1.9
103.07578	0.8
104.53001	0.6
105.07018	5.0
107.04942	3.2
107.08567	6.8
109.02869	1.3
109.06483	3.7
109.10134	5.1
111.04400	1.8
111.08047	1.5
111.11692	1.1
114.55397	0.8
117.06987	4.1
119.08578	5.0
121.06465	1.6
121.10098	4.2
121.49772	0.6
123.08041	4.5
123.11662	1.9
125.09631	1.2
127.03891	2.9
129.06961	1.3
130.07780	0.8
131.08546	2.4
133.10109	1.0
135.08014	1.3
135.11696	6.0
137.09558	1.3
143.08502	0.8
145.04953	3.4
145.10088	7.6
147.08028	1.4
153.11554	0.7
153.12698	1.7
163.05989	2.2
163.11153	14.6
173.09639	1.7
181.12219	2.2
191.10570	1.6
198.37038	0.7
209.11713	3.6
219.72888	0.7
227.12837	3.3
227.14766	0.7
243.24260	0.7
267.26880	0.8
283.15350	100.0
284.15701	2.1
341.30450	68.8
342.30780	1.9
377.13965	1.0
549.41425	49.3
550.41760	2.5
562.13800	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.551
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03913	1.5
67.05135	1.3
67.05489	18.9
69.03403	2.3
69.07061	10.4
71.01330	3.1
71.04068	1.6
71.04385	0.9
71.04981	4.6
71.08619	22.4
71.69653	0.6
73.02897	2.2
79.05478	18.0
81.02936	1.3
81.03400	23.1
81.07041	25.3
83.01321	2.9
83.04966	9.4
83.08607	13.2
85.02895	12.9
85.06521	2.9
85.10163	13.7
89.05984	1.7
91.03938	4.0
91.05458	10.7
93.07024	19.0
95.04950	7.5
95.07996	1.4
95.08588	23.6
95.09190	1.3
97.02325	0.9
97.02885	10.4
97.06516	8.0
97.10165	5.5
99.04451	2.8
99.08065	0.7
99.11678	0.9
103.07539	0.9
103.78625	0.6
105.07007	7.5
107.04935	17.4
107.08585	10.8
109.02878	1.5
109.06494	7.1
109.10122	9.3
111.04420	20.0
111.08051	2.4
111.11715	1.6
113.05960	1.4
115.03851	0.7
117.07016	7.3
118.15871	0.8
119.08552	8.0
121.06465	4.9
121.10113	8.8
123.08038	5.6
123.11672	2.8
125.05978	7.2
125.09595	1.7
127.03864	2.0
129.07016	2.6
130.07753	1.1
131.04865	0.8
131.08574	4.9
133.10147	1.5
135.08032	3.0
135.11671	13.8
137.09586	1.5
137.13188	1.5
139.07553	1.0
143.08560	1.7
145.04904	1.6
145.06497	1.5
145.10097	16.8
147.07971	4.7
149.09520	1.2
153.12718	7.9
155.08528	2.5
163.05969	1.7
163.11154	28.4
165.09113	0.9
167.14360	0.9
173.09584	6.2
181.12212	4.0
191.10649	9.5
195.13832	1.6
205.12248	0.9
209.11708	7.6
220.24605	0.7
223.13229	17.5
223.15300	1.3
227.12776	5.8
239.23584	1.8
241.14328	27.1
257.24744	1.5
265.14297	16.1
283.15353	25.5
297.16928	1.9
313.27307	75.5
314.27789	1.9
315.17953	42.2
327.28949	0.9
344.02505	0.8
427.19540	1.1
459.22324	1.5
503.37305	12.0
521.38306	100.0
522.38812	3.7
539.39270	1.5
553.40912	65.6
554.41309	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.2
67.05495	17.7
69.03412	0.7
69.07059	10.8
69.39740	3.5
71.04979	1.2
73.02897	0.3
73.06522	0.3
77.03931	0.5
79.05480	21.4
81.03403	4.6
81.07043	21.7
83.04972	5.0
83.08604	2.6
85.02911	0.8
85.06524	1.3
91.05464	24.6
93.07027	21.5
93.07655	0.4
95.01317	2.9
95.04956	7.2
95.08593	13.2
97.02882	0.7
97.06514	17.7
97.10139	1.6
98.20729	0.6
99.08090	0.5
103.05469	1.1
105.07012	30.0
106.07343	0.4
107.04944	7.8
107.07902	0.6
107.08579	7.4
107.09299	0.3
109.06503	2.3
109.10118	3.1
111.08055	0.9
113.09637	0.6
115.05424	0.7
117.06995	5.1
119.08558	16.7
121.06493	1.4
121.10136	3.0
123.04418	1.2
123.08063	2.4
123.11678	0.8
125.09616	0.3
127.07535	0.6
128.06194	0.6
129.06982	4.1
129.07861	0.5
131.04826	0.4
131.08546	7.1
133.06474	0.9
133.10107	15.3
135.08032	1.3
135.11679	3.0
137.09633	1.5
139.07515	0.6
141.06985	0.7
143.08531	3.0
145.06470	1.0
145.10103	7.4
146.10539	0.3
147.08023	1.1
147.11661	12.0
147.90390	0.3
149.09605	3.4
149.13251	1.2
151.11147	0.7
154.64149	0.3
155.08527	0.9
157.10117	0.8
159.11639	3.8
161.09598	1.3
161.13229	4.6
163.11172	1.9
165.09111	0.9
169.10139	1.3
171.11674	6.2
173.04643	0.3
173.13211	1.5
175.14893	0.3
177.12743	1.5
179.14282	4.7
183.11687	0.9
185.13277	0.7
187.11177	1.6
187.14792	0.4
189.12733	2.1
197.13278	0.7
205.12265	0.4
207.13768	3.3
215.18001	0.5
219.83788	0.3
225.14828	0.4
229.19537	0.7
239.18068	0.4
247.20540	1.0
257.18979	2.2
259.20572	1.0
263.16452	1.3
270.59531	0.3
275.20020	30.4
276.20453	0.8
279.15872	3.1
281.17438	22.2
282.17749	0.4
293.21036	1.8
331.22916	0.4
345.20770	0.3
349.23666	12.8
350.24210	0.4
377.23239	0.6
401.82520	0.3
425.21600	0.4
463.31940	0.6
537.35681	2.6
555.36737	100.0
556.37042	6.5
573.38177	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5669
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	11.4
69.03391	1.5
69.07063	7.0
71.04954	1.5
71.08620	18.4
73.02898	1.2
78.19532	0.5
79.05035	0.6
79.05477	8.2
81.03403	54.1
81.07042	15.3
83.04970	3.3
83.08606	18.2
85.02895	5.8
85.06496	1.1
85.10170	11.9
89.05991	1.0
91.03938	2.7
91.05470	9.5
93.07037	5.3
93.72106	0.5
95.04954	15.7
95.08013	0.9
95.08593	16.5
97.02874	4.4
97.06487	0.8
97.10163	4.1
99.08066	0.7
99.11682	0.7
103.07548	1.0
105.07006	8.1
107.04958	4.1
107.08545	2.3
109.02842	0.7
109.06462	2.0
109.10139	7.6
111.04385	1.3
111.08051	4.5
111.11638	0.6
115.05439	0.9
117.06974	0.7
119.08557	7.4
121.06467	1.5
121.10134	3.8
123.04364	1.3
123.08015	1.3
123.11694	3.6
125.09595	0.7
127.03878	1.3
129.06985	6.3
131.08548	5.6
133.06500	2.5
133.10118	2.8
135.11658	1.0
137.09589	1.0
137.13232	0.9
142.07690	1.5
145.04892	1.9
145.10121	1.1
147.04329	0.6
147.07985	2.4
147.11658	5.5
149.09613	3.4
151.14786	0.6
157.10115	6.5
163.05972	1.9
163.11081	1.6
165.12805	1.0
175.11162	7.5
189.12715	0.6
193.12212	21.1
211.13292	1.1
221.22581	0.7
223.13220	0.6
235.13266	2.7
239.23616	1.7
249.14742	2.0
257.24747	2.0
259.13208	1.7
267.15878	100.0
268.16193	1.5
273.14777	0.9
288.97519	0.5
301.14276	2.3
309.16830	3.0
313.27319	97.8
314.27728	2.3
319.15350	0.9
472.78619	0.5
491.28912	0.6
505.38815	81.9
506.39322	3.3
519.35040	0.7
523.39545	2.3
547.39746	6.0
574.15521	0.6
601.40887	2.4
613.41058	2.0
631.41681	2.1
649.42432	0.8
863.07178	0.8
884.43341	0.7
914.51141	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5664
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03910	0.4
67.05492	9.5
69.03391	1.5
69.07059	5.0
69.45322	0.6
69.45713	4.6
71.04956	1.0
71.08620	15.9
73.02882	1.1
79.05476	5.1
81.03403	43.3
81.07040	13.0
82.03678	0.5
83.04922	1.4
83.08607	14.9
85.02889	4.2
85.09685	0.7
85.10169	9.8
89.05991	0.7
91.03948	2.9
91.05470	8.4
93.07032	4.0
95.04410	0.7
95.04958	11.7
95.08027	0.7
95.08590	13.3
97.02865	2.6
97.06495	1.0
97.10161	3.4
99.04424	0.4
99.08048	0.4
103.07529	0.8
105.07002	6.4
107.04932	3.3
107.08534	2.0
107.93746	0.5
109.02843	0.5
109.06464	1.5
109.10140	5.6
111.04366	0.8
111.08052	4.0
113.76598	0.4
115.05404	0.9
117.06987	0.7
119.04900	0.8
119.07850	0.5
119.08556	6.4
121.06474	0.8
121.10136	2.9
123.04382	1.5
123.08029	0.9
123.11651	2.4
125.09557	0.7
127.03869	1.0
129.07007	4.9
131.08551	4.5
133.06439	1.4
133.10123	2.2
137.09615	0.5
137.13203	0.8
142.07640	1.1
145.04866	1.2
145.06500	0.5
145.10075	1.6
147.04373	1.0
147.08015	2.2
147.11644	3.4
149.09613	2.7
155.91847	0.4
157.10110	5.5
161.05933	0.6
163.06006	2.7
163.11180	0.9
165.12689	1.2
175.11171	6.3
181.98006	0.5
188.74765	0.4
193.12207	18.6
205.12169	0.6
211.13234	1.0
235.13263	1.0
239.23631	1.8
249.14774	1.3
253.88506	0.5
257.24683	2.1
259.13364	1.2
267.15869	100.0
268.16293	1.3
273.14841	1.4
301.14328	1.7
309.16956	3.1
313.27313	96.7
314.27692	2.8
375.18192	0.7
393.18594	0.6
432.22919	0.5
457.60867	0.5
505.38800	83.6
506.38934	3.1
523.40186	1.5
547.39941	6.4
565.40906	0.7
589.40753	0.7
601.41223	3.2
613.40723	1.7
631.41931	1.9
649.42798	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	4.0
68.99797	2.1
69.03045	2.0
69.03423	31.9
69.07057	4.4
70.06581	2.6
70.23621	5.2
71.04986	5.3
73.02912	5.5
77.12299	1.1
77.28528	1.1
79.05470	4.2
81.03409	24.9
81.07042	8.3
83.01306	1.3
83.04972	2.6
83.08616	3.4
85.02895	100.0
86.09760	1.0
87.00822	41.5
87.04476	1.4
91.03940	2.1
91.05479	5.5
93.07027	11.9
95.08597	16.0
97.02880	41.7
99.04442	16.2
99.08085	4.3
105.01855	70.1
105.07016	14.9
105.36781	1.3
107.08579	18.9
109.02868	36.0
109.10155	10.1
117.01865	2.6
117.07029	2.1
119.08571	29.2
121.06535	1.7
121.10132	15.9
123.04412	1.2
123.11696	2.4
127.03902	74.8
128.04253	1.3
129.01863	3.3
129.05544	1.1
131.08556	15.9
133.10117	19.2
135.11664	11.0
137.09602	1.2
137.13193	1.4
141.39879	1.1
143.08548	1.7
145.02986	1.3
145.04939	35.8
145.10103	20.8
146.06071	1.2
147.02890	1.9
147.11665	30.3
149.09627	1.2
149.13277	6.7
151.03708	1.1
151.11111	1.6
157.10117	4.1
158.10881	1.4
159.02879	15.5
159.11658	19.5
161.13242	8.0
163.03903	4.5
163.11139	6.5
163.14838	6.8
171.06511	4.5
171.11687	4.6
173.13245	12.7
175.14822	9.8
177.05431	1.8
177.16371	15.2
179.14339	1.5
179.94049	1.2
183.11676	1.5
185.13286	3.9
187.14803	39.6
189.03954	3.0
189.16353	19.2
191.14290	1.2
191.17966	3.1
197.13307	1.5
199.14824	3.7
201.16362	60.5
202.16753	1.8
203.14088	1.4
203.17958	9.5
205.15862	51.7
206.16238	1.7
207.17453	10.3
213.03883	8.6
213.16374	6.3
215.14119	1.2
215.18010	3.7
217.19592	1.3
219.17459	8.6
223.16925	13.7
227.17934	3.2
229.15810	1.4
229.19440	1.7
231.04968	35.4
231.17409	1.5
233.18970	1.8
247.16866	9.3
249.06010	18.3
253.07118	3.3
253.19585	1.5
260.10291	1.6
271.08139	2.5
353.28174	1.5
357.07965	1.5
365.28577	1.2
375.09311	1.9
389.31970	5.7
393.10349	3.3
394.71768	1.2
407.33054	41.6
408.33432	2.8
409.34525	3.2
425.34113	43.0
426.34637	2.4
428.13870	10.2
435.32495	10.2
443.34714	1.8
453.33618	21.8
454.33951	1.8
471.34766	8.5
717.42670	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
64.74381	1.9
65.03925	4.4
67.05492	60.1
69.03426	2.6
69.07050	18.6
71.04961	2.7
79.05482	87.6
81.03403	9.2
81.07045	64.5
83.04967	10.7
83.08592	9.3
85.02879	7.2
85.06525	4.2
86.35354	1.7
88.10945	1.8
91.03928	4.2
91.05463	88.8
91.97975	2.0
93.07027	97.6
95.04952	22.7
95.08592	45.8
97.06516	5.7
97.10141	5.1
105.04481	1.8
105.07016	84.9
107.04921	7.2
107.08578	39.1
109.06493	7.4
109.10125	7.8
117.07001	18.7
119.07730	3.9
119.08560	67.3
121.06493	2.5
121.10121	22.1
123.08064	5.3
127.07468	2.7
128.06204	5.8
129.06979	18.8
131.08553	23.0
133.10109	45.5
135.08084	2.9
135.11668	16.8
137.09662	1.9
141.06929	2.7
142.07784	1.8
143.08546	16.6
145.06512	2.9
145.10109	28.4
147.07999	3.0
147.11662	62.4
148.11969	2.8
149.09621	2.5
149.13228	8.8
155.08476	2.4
157.10095	9.4
159.11644	19.2
161.09566	5.9
161.13248	36.6
163.11095	1.8
163.14801	5.9
167.08498	2.7
169.10091	5.0
171.11685	34.8
173.13231	14.8
173.38492	2.0
175.11128	1.9
175.14795	14.3
177.12692	3.6
181.59747	1.9
183.11612	2.7
185.13190	10.1
187.11165	3.5
187.14903	2.1
189.12627	9.8
195.11617	3.2
197.13301	3.8
199.14774	4.0
207.13730	17.7
209.13191	2.3
231.21048	7.6
241.14407	2.1
241.19492	33.1
257.19025	3.7
259.20523	71.1
260.20874	2.5
261.22110	2.7
277.21814	3.5
279.15884	23.5
281.17426	79.6
283.18994	2.3
309.21994	2.1
315.23114	6.7
333.24203	49.5
387.09650	2.0
447.32468	9.4
465.33560	8.5
483.34576	4.3
521.35980	5.9
529.38928	3.1
539.37268	100.0
540.37708	5.2
557.38293	39.9
558.38068	2.7
579.94202	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03901	0.9
67.05494	15.4
67.10120	0.4
69.03418	2.8
69.07063	5.1
70.06554	0.8
71.01274	0.5
71.04987	3.1
71.70681	0.7
73.02875	1.1
77.03936	0.5
79.05479	19.1
81.03403	45.0
81.07041	16.1
83.04958	4.4
83.08606	13.5
85.02879	3.8
85.06493	1.5
87.04413	0.5
91.03906	1.2
91.05462	15.1
93.07030	13.8
93.65595	0.4
95.04953	19.3
95.08017	0.5
95.08585	7.6
97.02891	3.0
97.06518	3.0
97.10155	12.9
99.04395	1.0
99.08073	0.6
103.05417	0.4
103.20382	0.5
105.06355	0.7
105.07011	11.4
107.04255	0.9
107.04939	13.3
107.07918	0.8
107.08574	9.7
108.83403	0.5
109.02835	0.8
109.05841	0.6
109.06505	8.0
109.10147	4.7
111.04366	1.9
111.07420	0.4
111.08059	5.4
113.05972	0.6
115.05389	1.9
117.07002	5.7
119.04896	1.8
119.07758	0.7
119.08565	10.5
120.53824	0.4
121.06487	9.0
121.09400	0.5
121.10135	7.4
123.04413	2.3
123.08046	4.0
123.11642	0.9
125.05926	1.0
125.09607	11.7
127.03896	0.8
129.06096	0.5
129.06976	8.4
131.04884	2.1
131.08543	9.4
133.06480	3.8
133.09341	0.4
133.10112	4.6
134.91577	0.5
135.04346	1.2
135.08032	5.1
135.11627	1.9
136.04729	0.4
137.05913	1.4
137.09538	1.4
139.11038	0.5
141.06944	1.5
142.07730	2.1
143.08589	3.2
145.02753	0.8
145.06464	6.0
145.10098	4.9
147.04355	5.2
147.08047	4.3
147.11665	5.4
149.05977	0.7
149.09599	4.9
149.13168	0.5
151.07555	0.6
153.09090	2.5
153.12723	0.9
155.08481	1.9
155.54953	0.4
157.06432	1.1
157.10107	6.2
158.02226	0.4
159.07996	1.7
159.11647	2.4
161.05919	1.6
161.09557	1.6
161.13176	0.6
163.03860	3.6
163.06007	1.0
163.07391	0.6
163.11157	3.4
165.12662	1.3
167.08513	0.9
167.10635	1.4
169.06419	0.8
169.10065	1.5
171.07999	1.7
171.10152	0.9
171.11618	1.7
173.05898	0.7
173.09537	2.0
173.11813	0.5
173.13185	1.0
175.07571	0.9
175.11130	6.7
177.05490	0.7
177.12674	1.4
181.04892	0.5
181.10068	1.0
183.07979	0.6
183.11646	1.0
185.09506	1.2
185.13165	1.6
187.11108	1.5
187.14796	1.0
189.09380	0.9
189.11151	6.8
189.12756	2.0
191.10547	0.7
191.14229	1.6
193.12221	18.1
193.13997	0.9
195.07988	0.9
195.11713	1.4
195.13702	0.4
197.09586	0.9
197.13213	1.4
197.15132	0.4
199.11115	1.4
199.13077	0.6
199.14830	0.7
201.12663	0.9
203.14258	0.9
205.12233	1.8
205.15923	0.6
211.13159	1.1
213.12695	1.7
215.14215	1.3
217.12198	1.1
219.11826	0.6
219.13803	2.6
221.13309	0.6
223.11278	0.6
223.13263	1.7
225.12578	0.8
227.12686	2.0
227.14603	0.6
231.13673	1.0
233.15324	3.8
235.13191	1.6
237.12747	1.5
237.14850	0.7
239.14352	1.1
241.12160	0.6
243.13689	0.8
245.15382	0.5
249.14804	1.1
255.13713	1.2
257.15378	0.7
259.09705	0.6
259.13232	1.7
263.16354	0.7
267.15875	43.7
268.16324	1.0
271.16879	0.8
273.14709	5.9
275.16431	1.0
287.16467	0.5
289.14365	0.6
291.15802	0.7
293.17380	0.8
309.17004	1.6
321.21933	0.5
339.23148	2.0
349.21582	3.8
357.24200	1.8
367.22574	13.9
368.22989	0.6
385.23669	18.2
386.23999	1.2
403.24722	6.0
423.25607	0.6
441.26279	10.1
447.25854	0.6
459.27356	100.0
460.27798	4.6
477.28409	88.5
478.28888	4.3
491.29990	12.3
492.30209	0.6
501.28372	6.6
509.31027	5.5
513.28510	2.3
519.29449	0.8
531.29553	2.1
541.33624	0.9
543.29871	1.0
555.29834	1.5
567.29413	5.9
573.30060	0.7
585.30847	1.6
603.31769	1.6
854.50958	0.5
901.61444	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.504
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	3.4
67.05492	40.8
69.03411	4.2
69.07056	12.5
69.39754	13.2
71.04984	5.5
73.02903	4.3
78.04713	1.1
79.05021	2.7
79.05481	54.1
80.05808	1.8
81.03400	13.0
81.07043	46.9
83.01326	6.5
83.04968	12.6
83.08607	13.6
84.34595	1.0
84.67955	1.1
85.02886	16.4
85.06528	4.2
91.03947	9.2
91.05463	59.5
93.07027	60.8
95.04954	14.0
95.08589	30.9
97.02856	10.2
97.06520	6.5
97.10152	9.3
99.04417	2.9
99.08064	2.1
100.29363	1.1
103.05381	1.9
105.07011	72.1
107.04914	7.7
107.08572	31.0
109.06496	11.1
109.10116	12.7
111.04402	2.0
111.08073	2.8
115.05457	2.3
116.06206	1.3
117.06994	22.5
119.08556	53.7
121.06490	4.9
121.10122	24.6
123.04446	1.4
123.08034	9.7
123.11682	3.8
125.05907	1.3
125.09624	6.8
127.03869	2.5
128.06203	2.3
129.06984	13.1
130.07695	1.6
131.08546	26.7
133.10103	38.7
134.10429	1.3
135.08029	5.0
135.11667	22.9
137.09618	2.3
137.13269	1.0
141.06950	1.6
142.07687	1.9
143.08519	13.8
145.04887	2.7
145.06473	1.5
145.10092	35.2
147.07997	3.1
147.11658	39.2
149.09561	3.1
149.13254	8.9
151.11182	1.4
153.12769	2.2
155.08534	4.5
157.10071	11.7
159.07950	1.3
159.11679	14.7
161.09570	1.6
161.13228	22.3
163.05998	3.3
163.11151	24.7
163.14824	1.3
169.10077	3.8
171.11639	13.7
173.09616	3.4
173.13231	11.3
175.11163	2.0
175.14775	8.4
181.12186	4.3
183.11649	3.5
185.13205	11.7
187.14766	2.9
189.11122	6.3
189.12650	1.4
191.10666	3.2
191.14212	1.3
193.12268	1.7
195.11626	1.9
197.13246	3.7
199.14799	8.2
203.14331	2.1
209.11729	6.5
209.13406	1.9
211.14908	1.6
213.16350	3.1
227.12730	17.0
231.17480	1.3
231.21051	6.4
233.15475	1.3
239.17947	1.2
241.19466	22.7
245.13718	2.0
257.19055	5.4
259.20532	74.4
260.20807	1.7
267.15875	1.9
269.22659	1.2
271.20428	1.9
275.20087	3.1
275.91217	1.2
279.21066	1.3
283.15356	61.6
297.22000	9.8
315.23108	9.1
331.22699	1.2
333.20178	2.4
333.24179	40.3
344.33359	1.2
367.22601	1.5
403.29794	1.2
421.31360	1.7
426.19312	1.3
431.29620	5.3
449.30527	8.6
459.27576	1.6
467.31308	8.2
485.32443	4.9
513.35297	3.6
523.34235	11.0
541.35162	100.0
542.35535	5.2
559.36139	22.1
649.37366	2.4
667.38269	1.4
703.40649	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.9
67.05492	52.1
67.70684	1.5
69.03418	5.3
69.07055	15.7
69.33509	1.8
70.29973	8.1
70.53920	1.7
71.04971	5.5
73.02904	5.4
77.03893	2.4
79.05015	3.7
79.05477	61.5
81.03404	44.1
81.07043	54.4
83.04961	11.0
83.08607	21.9
85.02887	24.1
85.06516	2.9
88.86447	1.6
91.03934	5.1
91.05462	76.9
93.07027	63.2
95.04953	29.3
95.08589	31.8
97.02866	7.5
97.06506	5.2
97.10158	6.4
98.08716	1.8
98.20853	1.9
99.08076	2.7
105.07011	76.5
107.04942	7.1
107.08578	33.2
109.06499	5.8
109.10130	12.8
111.04417	3.0
111.08064	7.8
113.05955	2.9
117.07001	23.8
119.08560	66.3
121.06477	2.6
121.10133	25.3
123.08029	3.7
123.11669	2.7
125.09601	2.5
127.03886	3.0
128.06252	1.9
129.06967	20.9
131.08542	30.7
131.09447	3.0
133.06488	3.3
133.10106	44.8
134.03429	1.6
135.11682	15.3
137.09602	4.6
139.11171	2.0
140.36906	1.8
141.06921	1.9
142.07776	4.0
143.08496	11.1
145.04991	2.2
145.06410	1.7
145.10109	23.2
147.08020	4.8
147.11655	44.6
149.09573	6.6
149.13231	8.8
155.08481	4.7
157.10104	16.9
159.11662	18.4
161.09505	2.2
161.13234	26.5
163.05986	2.7
163.11165	3.6
165.12790	2.7
167.08531	2.0
169.10086	4.2
171.11646	16.6
173.13170	10.2
175.11124	9.0
175.14830	8.3
181.10107	3.8
183.11684	4.1
185.09607	1.9
185.13226	10.6
187.14758	2.9
189.16223	2.0
193.12195	30.4
195.11661	2.0
197.13245	2.5
199.14737	6.2
201.16327	2.8
209.13202	2.8
211.13249	37.5
211.15141	2.7
213.16403	2.1
223.14627	2.1
227.12758	3.2
229.01053	1.8
229.14374	2.3
231.21056	5.2
232.44319	1.6
241.19479	26.4
257.18896	2.4
259.20526	79.2
261.21994	1.8
267.15866	21.0
275.19995	2.4
277.21609	2.3
283.15442	3.2
283.20447	2.3
285.16928	49.4
297.22012	2.2
299.23688	2.6
303.69907	1.6
315.23096	7.4
317.21112	1.8
333.24200	62.0
415.29807	2.2
423.32254	2.9
433.30847	6.8
435.27527	2.4
451.31934	10.4
469.33075	4.9
507.34695	3.1
515.36938	7.7
525.35651	38.9
526.35663	3.5
543.36743	100.0
544.36884	4.6
561.37305	4.3
651.38562	4.1
669.39844	2.6
687.41101	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	920.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
64.57048	2.0
65.03950	5.0
67.05497	58.3
69.03407	7.6
69.07066	17.9
69.76340	12.8
69.76756	3.8
71.04984	6.5
73.02898	5.8
79.05018	3.8
79.05482	72.4
81.03407	63.3
81.07043	69.5
83.04978	21.7
83.08605	31.1
85.02901	42.5
85.06528	6.2
91.03934	9.4
91.05468	93.1
93.07028	70.3
95.04960	34.2
95.08593	38.3
97.02879	7.8
97.06509	7.4
97.10136	8.4
99.08084	3.0
105.04496	2.2
105.07020	87.7
107.04928	11.1
107.08574	32.8
109.06501	8.2
109.10143	16.3
111.04420	4.1
111.08080	13.4
113.05978	3.7
115.05456	4.3
116.06197	3.3
117.06984	19.0
119.08565	71.6
121.06492	5.3
121.10134	26.8
123.08054	7.0
123.11668	4.4
125.09567	3.1
127.03820	2.1
128.06151	3.7
129.06992	25.4
130.07887	2.5
131.08545	43.0
133.06531	4.6
133.10114	60.0
135.08018	2.6
135.11681	20.4
137.09610	3.7
139.11092	2.2
141.07034	4.3
142.07797	6.9
143.08539	11.9
145.04977	3.2
145.10095	23.8
147.08040	3.9
147.11665	51.3
148.56113	2.2
148.76367	2.0
149.09564	10.6
149.13237	12.9
155.08525	4.1
157.10097	26.9
159.11693	20.0
161.13263	20.4
162.13574	2.1
162.80388	2.3
163.11153	5.1
163.14745	4.4
165.12778	3.9
169.10104	4.4
171.11635	14.7
173.11890	2.2
173.13263	12.3
175.11174	13.9
175.14822	10.6
181.10091	2.8
183.11633	3.6
185.13232	13.1
187.14775	3.5
193.12207	46.6
197.13329	2.5
199.14835	7.9
199.70450	2.1
209.13226	3.0
211.13254	57.5
211.15131	4.6
217.16090	2.8
226.55305	2.1
227.12767	5.7
229.14265	3.2
231.21092	6.7
241.19508	23.7
257.18936	3.5
259.20557	68.1
267.15912	27.8
274.41010	2.2
275.20084	2.1
283.15588	3.9
285.16940	65.3
315.23007	5.1
333.24237	54.9
433.30865	8.4
451.32230	13.4
469.33008	6.4
507.34558	3.1
515.37494	6.6
525.35718	37.5
543.36743	100.0
544.36792	3.9
561.37390	4.2
669.40051	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	923.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37730	0.4
68.06441	0.4
69.45412	4.0
80.68593	0.3
125.14237	0.3
136.94054	0.5
148.94060	0.6
298.99402	1.5
356.93549	0.5
423.08240	0.7
581.09045	2.1
665.39471	0.4
803.25732	0.5
807.73822	0.5
863.27753	1.0
923.29901	100.0
924.30261	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	930.504
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.3
67.05495	27.1
69.03424	4.9
69.07059	16.6
71.04971	2.1
71.71854	0.8
73.02931	0.7
73.06552	0.6
79.05482	36.5
81.03404	8.3
81.07047	24.8
81.07546	0.9
83.04975	7.6
83.08601	5.8
85.02878	3.0
85.06536	1.6
91.03952	1.6
91.05465	30.7
93.07030	28.1
95.04950	12.4
95.08593	14.2
95.09193	0.9
97.02882	5.7
97.03474	0.8
97.06524	4.3
97.10154	7.9
99.04454	0.8
103.05459	1.4
105.04484	0.9
105.07013	20.6
105.07720	1.2
107.04940	6.8
107.08578	11.8
109.02842	0.9
109.06513	3.7
109.10142	5.5
111.08081	2.0
115.05477	1.4
117.06989	6.1
119.04936	1.1
119.08564	15.3
121.06480	3.6
121.10109	4.2
123.04414	0.6
123.08031	3.8
123.11655	0.7
125.09601	4.7
127.03922	1.0
127.07504	0.5
128.06187	2.0
129.05475	0.6
129.06984	8.0
130.07770	0.7
131.08563	5.7
132.35356	0.5
133.06444	3.1
133.10098	7.9
134.07216	0.5
135.08051	2.5
135.11697	1.7
137.09610	1.4
141.09062	0.5
143.08531	5.0
145.10101	7.2
147.08038	4.1
147.11667	14.0
149.09657	1.9
149.13237	1.0
151.11226	0.6
152.14055	0.5
157.10153	1.6
159.07979	0.8
159.11696	3.1
161.09622	3.1
161.13261	4.4
163.11157	1.8
165.09116	1.1
167.08598	0.6
169.10138	0.7
171.11653	10.4
173.04506	0.7
175.11221	1.5
177.12828	1.0
185.13272	0.9
189.11172	1.6
189.12758	3.5
193.12172	0.7
205.12126	0.7
207.13759	9.7
223.13243	8.2
225.14880	1.6
227.12723	3.4
245.19009	1.0
249.14877	2.2
253.14400	2.2
255.17360	1.0
267.16022	1.1
273.18472	8.8
275.20276	0.7
281.17429	40.3
282.17764	0.8
291.19501	54.0
292.19913	1.0
347.22214	2.8
365.23172	22.8
451.26993	1.2
473.29135	3.8
477.28650	0.8
491.30273	0.7
498.72595	0.5
553.35327	4.7
571.36237	100.0
572.36340	5.8
589.37561	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	7.7
68.99809	1.3
69.03422	37.5
69.07063	5.0
71.04992	8.0
71.33520	2.5
73.02922	7.7
74.11360	1.3
79.05479	10.8
81.03403	25.9
81.07050	20.3
83.04974	23.7
83.08601	6.0
85.02894	100.0
87.00819	45.5
87.01361	1.7
91.05477	13.8
93.07032	27.4
95.04960	6.8
95.08591	29.1
97.02877	46.3
97.10153	1.9
98.45802	1.3
99.04450	19.9
99.08073	6.7
105.01853	75.1
105.07014	31.0
107.04961	1.3
107.08581	42.4
109.02866	40.3
109.06498	5.0
109.10142	17.3
110.03179	1.6
111.04407	1.2
111.08040	3.4
111.64013	1.2
115.03918	1.9
117.01849	2.5
117.07006	4.1
119.08566	47.3
119.09412	2.6
121.06476	1.2
121.10136	23.8
123.08057	5.1
123.11721	7.7
125.09617	13.4
127.03902	84.0
129.01831	4.5
129.06995	2.4
131.07637	2.5
131.08554	26.2
133.10117	30.6
135.08015	1.6
135.11674	9.6
137.05980	1.5
137.09608	1.9
141.06981	1.7
142.07753	1.8
143.08539	10.1
144.09346	1.5
145.02905	2.2
145.04939	29.7
145.10101	35.7
145.11227	2.8
147.02876	2.4
147.04416	1.5
147.11668	39.6
149.09657	2.2
149.13225	12.6
151.11116	3.3
155.08531	1.7
156.09297	1.9
157.10107	15.5
158.10966	1.7
159.02899	12.6
159.11682	30.2
161.13239	17.4
163.03909	8.4
163.07516	1.9
163.11110	2.0
163.14836	5.9
165.12808	2.2
167.10738	1.4
169.10143	4.6
170.10849	1.7
171.11656	13.8
173.04500	1.4
173.13245	28.3
175.11290	2.9
175.14806	22.7
177.05432	2.9
177.12779	2.1
177.16365	11.8
179.14301	2.8
181.12192	1.2
183.11702	5.7
185.13206	15.9
185.14734	1.3
187.14806	37.4
189.03854	2.8
189.16354	9.2
191.14302	8.5
191.17908	2.1
193.15973	2.4
195.11743	1.6
197.13248	7.7
199.14807	23.4
201.16357	44.5
203.14249	13.7
203.17947	6.0
205.15845	34.7
207.17465	1.5
209.13226	3.1
211.14825	5.5
213.03860	10.0
213.16354	14.3
215.14276	3.7
215.17944	4.7
217.15904	6.7
219.13863	2.0
219.17465	6.9
221.15373	7.9
223.14828	1.7
223.16855	2.8
225.16388	4.7
227.17932	4.5
229.15912	3.9
229.19368	1.8
231.04968	39.2
231.17459	4.2
233.15343	4.1
233.18996	1.8
237.16425	1.3
239.17970	3.2
241.19531	3.5
245.15311	6.6
247.16920	11.6
249.06068	16.3
249.14905	5.0
251.17877	2.0
253.07072	3.5
253.19547	3.6
255.17242	1.5
259.16946	4.5
259.19696	1.2
265.19543	1.7
267.21060	3.0
271.08133	2.5
273.18442	1.5
277.19455	1.3
279.20966	1.7
281.22873	1.2
285.18378	1.5
293.22452	1.4
299.19937	1.8
306.25510	1.3
323.27142	2.7
335.23718	1.8
339.23062	1.5
341.24622	1.7
341.28345	3.1
347.27145	1.9
349.29312	1.6
351.26843	2.1
355.26273	1.3
365.28387	4.1
375.30316	1.8
387.30191	5.4
393.10501	3.1
393.27844	5.7
405.26340	2.7
405.31448	37.9
406.31998	3.3
407.33130	4.5
411.28842	8.1
421.31119	3.0
423.27164	2.4
423.32523	25.1
424.32983	1.9
428.13989	7.8
433.31067	16.4
439.32135	2.7
441.33493	7.4
451.32062	59.6
452.31973	3.2
459.34662	1.5
469.33105	82.8
470.33401	4.2
487.34164	6.2
543.38806	1.4
813.98138	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	4.8
67.05493	73.2
68.05803	0.9
69.03420	6.7
69.07057	21.4
71.01343	0.8
71.04987	4.7
71.08599	1.3
73.02898	3.1
73.06552	1.9
77.03905	1.0
79.05479	94.2
80.05798	1.3
81.02930	1.1
81.03407	15.3
81.07041	79.6
82.07355	1.6
83.04966	18.3
83.08605	12.6
85.02890	8.6
85.06513	3.9
85.10155	0.8
91.03960	3.7
91.05464	93.5
92.05800	1.9
93.07028	100.0
94.07362	2.1
95.04954	28.0
95.08587	46.4
97.02868	7.7
97.06512	12.1
97.10164	4.7
98.20679	2.1
99.04445	2.0
99.08072	2.9
103.03905	0.8
103.05456	2.7
105.04490	2.2
105.07013	75.4
106.07339	1.8
107.04929	10.3
107.08576	35.9
107.13338	0.6
108.08878	1.0
109.02831	1.7
109.06506	9.0
109.10128	10.5
111.04426	1.1
111.08064	4.3
113.09641	1.4
115.05436	3.5
117.06998	22.2
119.08556	53.2
120.08918	1.3
121.06483	5.2
121.10119	16.5
123.08047	8.1
123.11709	2.2
125.09618	2.3
125.76487	0.7
127.03883	3.8
127.07515	1.4
128.06194	4.3
129.05423	2.4
129.06979	25.1
130.07700	2.3
131.08546	22.3
133.06447	2.1
133.10107	33.0
134.10490	1.1
135.08051	5.2
135.11665	12.7
137.09570	2.2
139.07532	0.9
141.06934	2.0
141.09039	0.7
142.07793	1.4
143.08537	16.1
145.04926	2.9
145.06430	1.8
145.10104	25.6
147.07997	2.8
147.11661	53.8
149.09610	6.2
149.13231	10.8
151.11118	2.8
154.07719	1.1
155.08510	1.9
156.09315	1.5
157.10098	5.9
159.08090	1.0
159.11678	17.0
161.09590	6.5
161.13234	23.2
163.05901	0.8
163.11140	5.3
163.14781	1.5
165.09074	0.7
169.10141	4.8
171.11656	32.4
172.11995	1.0
173.04399	1.5
173.06000	0.6
173.09552	1.1
173.13234	8.5
175.11160	1.4
175.14807	6.9
177.12683	3.6
179.14288	2.5
181.10046	1.5
183.11671	3.7
185.13249	5.0
187.11118	1.4
187.14755	2.4
189.11179	1.2
189.12704	11.5
189.16365	1.2
195.11899	1.4
195.13748	4.0
197.13216	2.0
199.14783	2.8
203.14285	1.2
207.13762	26.8
208.14030	1.0
209.13312	0.9
211.14926	1.1
213.16309	2.0
217.15726	0.9
222.27132	0.7
223.14839	0.7
225.14755	2.4
227.12701	2.4
229.19499	1.0
229.60503	0.8
231.20999	1.9
239.17830	2.4
241.19484	12.1
243.20970	0.8
247.20473	0.8
251.16367	1.4
253.14177	2.4
257.18924	6.7
259.17862	1.4
259.20547	26.5
260.20895	0.8
261.22049	1.5
269.14719	1.0
269.17410	12.7
273.18347	1.1
275.20032	10.2
276.20425	0.8
279.15872	9.6
281.17429	63.1
282.17694	2.6
291.19421	1.4
293.21057	4.6
299.19849	0.7
307.19650	0.8
313.21606	1.3
315.23001	2.5
315.75110	0.7
319.73053	0.7
331.22665	1.5
333.24228	15.3
349.23743	8.3
367.24521	1.0
377.23166	0.9
389.77737	0.8
429.31061	1.1
435.27103	2.3
447.32309	3.1
451.26886	1.1
457.29620	1.1
461.28519	2.1
465.33148	2.2
475.30496	52.6
476.30478	2.5
483.34558	1.7
521.35950	1.7
537.35419	1.2
539.37244	35.0
540.37543	1.7
555.36810	11.9
557.38409	12.4
558.38623	0.9
572.35931	1.9
573.37488	6.7
573.45789	1.1
647.39355	0.8
783.21918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	4.5
67.05492	62.5
69.03411	5.4
69.07054	19.5
69.45568	0.9
69.69370	1.8
69.69785	5.2
71.04975	3.7
73.02895	2.3
73.06535	1.3
77.03969	0.9
79.05478	78.9
80.05817	1.3
81.03397	12.2
81.07039	64.8
83.04961	14.2
83.08595	12.1
85.02885	7.2
85.06516	3.1
91.03922	2.4
91.05463	65.8
92.05774	1.1
93.07027	71.7
94.07329	1.2
95.04949	22.0
95.08589	35.9
97.02866	5.3
97.06509	15.8
97.10151	8.3
98.21437	1.0
99.04423	2.2
99.08076	2.2
103.05452	1.1
105.04490	1.9
105.07008	49.0
106.07329	0.8
107.04926	11.2
107.08570	36.7
109.02845	1.1
109.06490	7.4
109.10133	11.2
111.04420	1.3
111.08064	4.6
113.09609	1.7
115.05443	1.9
117.06992	16.0
119.08559	33.0
121.06472	4.8
121.10104	12.2
123.04423	0.9
123.08063	5.4
123.11655	2.3
125.05915	0.8
125.09585	5.9
127.03798	1.0
127.07518	1.1
128.06178	3.4
129.05495	0.9
129.06984	16.7
130.07780	1.8
131.08548	15.2
133.06477	2.8
133.10112	19.8
135.08028	3.0
135.11676	11.2
137.09563	1.8
137.13298	0.8
139.11160	0.9
141.06961	1.8
142.07800	1.3
143.08553	9.2
145.04927	1.3
145.06416	1.6
145.10089	17.6
147.08017	3.3
147.11659	33.2
149.09575	9.5
149.13242	5.6
151.11165	2.5
155.08507	2.1
157.10139	3.8
159.08029	0.9
159.11642	8.2
161.09584	4.1
161.13219	11.1
163.11171	7.7
169.10080	2.2
171.10213	2.1
171.11644	20.2
173.04446	2.4
173.13235	3.5
175.11108	0.9
177.12726	2.8
179.14230	2.2
183.11676	1.8
184.17659	0.7
187.14743	0.9
189.11197	1.6
189.12718	6.7
191.14285	1.4
195.13821	2.1
197.13225	1.2
201.12718	1.1
203.46918	0.7
207.13771	22.1
213.12675	0.7
213.16455	1.0
215.17857	0.9
225.14845	2.1
227.12692	9.1
229.14157	0.9
229.19489	2.0
239.17950	2.5
247.20590	1.6
255.15871	5.6
257.18942	8.9
267.15842	1.3
269.17459	13.6
275.20020	31.1
275.23032	1.8
279.15851	1.1
281.17432	65.2
282.17783	1.3
293.20914	2.5
331.22479	2.0
342.88947	0.9
349.23657	22.6
367.24878	1.6
371.16794	0.8
377.23157	1.4
413.21561	1.0
435.27310	5.5
451.27090	3.8
457.29282	1.0
459.30869	1.9
461.28943	26.2
475.30475	100.0
476.30875	4.1
481.33298	0.9
515.33636	1.3
527.36957	1.9
537.35760	4.3
555.36719	63.2
556.36859	3.2
573.37866	9.6
595.30811	1.8
619.34729	5.1
699.40576	1.2
717.41791	1.9
798.61511	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	2.7
67.05491	42.2
69.03407	4.1
69.06689	0.9
69.07052	14.5
71.04971	3.6
73.02878	1.0
73.06546	0.8
77.03902	1.0
79.05476	67.0
80.05808	0.9
81.03407	8.1
81.07038	39.0
83.04965	10.5
83.08607	14.0
85.02886	5.5
85.06512	2.2
91.03931	1.6
91.05459	48.7
92.05744	0.9
93.07024	58.6
94.07364	0.8
95.04945	17.1
95.08589	19.3
97.02853	3.5
97.06501	7.4
97.10151	23.0
99.04433	1.2
103.05439	1.9
103.11081	0.7
105.04508	1.5
105.07008	46.1
107.04929	10.0
107.08571	45.6
108.08937	0.9
109.02843	1.4
109.06474	6.4
109.10139	8.8
111.08038	2.8
114.14305	0.7
115.05406	1.5
117.06989	10.5
119.08554	28.0
120.08849	1.0
121.06473	4.0
121.10129	7.6
123.08070	5.2
123.11673	2.1
125.09605	19.8
127.03925	1.7
127.07461	0.9
128.06197	2.2
129.06976	11.9
130.07774	1.4
131.08551	8.4
133.06433	1.7
133.10095	18.6
135.08060	4.6
135.11655	5.0
137.09554	1.2
141.06952	1.6
143.08539	9.0
145.10098	19.1
147.07985	1.8
147.11656	33.3
149.09598	8.1
151.11205	0.9
151.17249	0.8
153.09082	1.8
155.08504	1.3
157.10104	2.1
159.11652	7.1
161.09572	2.9
161.13197	9.3
163.03870	2.4
163.05998	1.0
163.11150	4.7
169.10088	2.3
171.10204	1.4
171.11656	19.0
173.11800	1.4
173.13251	2.8
175.11060	1.1
177.12706	1.0
183.11703	2.3
185.13170	1.6
187.11192	1.0
189.11169	10.4
189.12738	5.8
197.13237	1.4
207.11786	1.4
207.13773	18.9
215.07025	1.0
223.13191	1.1
225.14839	1.5
227.12732	35.7
228.13057	1.0
229.19531	1.5
229.77229	1.1
239.17896	2.2
245.13966	1.1
257.18973	6.9
259.09543	2.9
260.09808	2.0
263.16293	0.8
264.29462	1.1
275.20016	33.0
279.15958	1.3
281.17422	51.4
282.17770	1.5
283.15326	2.9
291.19528	3.3
293.21164	0.8
313.21573	1.0
331.22629	5.5
349.23672	24.0
349.27954	1.3
350.24103	0.9
352.03271	0.9
365.23062	2.2
389.18240	0.9
414.61075	0.8
445.30289	2.6
448.69690	0.9
451.26794	26.5
452.26984	1.4
461.29099	1.1
463.31842	1.4
537.35504	8.7
555.36700	100.0
556.37097	6.3
573.35541	7.3
594.00183	1.0
595.31189	4.2
687.06818	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	4.5
67.05494	82.5
68.05835	1.9
69.03424	14.3
69.07057	33.8
69.70761	6.2
69.71181	3.5
71.04980	8.7
73.02907	4.2
73.06545	2.9
74.33961	1.2
77.03900	1.8
79.05482	100.0
80.05777	1.3
81.03405	24.0
81.07042	85.7
83.01320	4.1
83.04969	21.6
83.08604	21.3
85.02890	15.4
85.06544	6.4
91.03943	7.1
91.05464	89.8
92.05807	2.0
93.07030	98.5
94.07359	1.7
94.31269	1.3
95.04392	0.7
95.04948	29.9
95.08591	46.5
97.02872	16.0
97.06518	18.5
97.10149	16.0
99.04426	4.9
99.08076	2.9
103.05497	2.4
105.04525	2.0
105.07014	60.9
107.04952	16.7
107.08580	50.3
108.08948	1.2
109.02861	4.3
109.06509	13.1
109.10138	19.8
111.04445	2.4
111.08055	9.2
115.05477	2.8
115.76461	1.4
117.06990	21.9
119.04905	1.5
119.08562	46.9
121.06496	7.5
121.10118	19.1
123.08045	11.7
123.11702	2.6
125.05910	1.4
125.09628	11.8
127.03906	7.9
127.07524	2.3
128.06209	3.2
129.05515	3.1
129.06987	20.2
130.07819	2.6
130.34499	1.2
131.08543	25.3
133.06511	3.3
133.10109	30.6
133.11134	1.6
135.08018	8.3
135.11673	15.6
137.09598	4.6
141.06981	3.5
143.08548	14.8
145.04900	3.4
145.06468	1.8
145.10100	29.0
147.08052	7.3
147.11661	41.9
148.12027	2.7
149.09599	12.1
149.13199	7.7
151.11205	3.0
153.12743	2.7
155.08519	3.5
156.09319	1.9
157.10094	6.8
159.08078	1.7
159.11702	15.6
161.06061	1.5
161.09607	8.6
161.13239	13.2
163.11168	15.4
165.09024	1.9
167.08612	2.6
169.10117	4.0
170.10628	1.6
171.10216	2.5
171.11664	25.1
172.12022	1.3
173.04463	2.3
173.09616	3.6
173.13263	5.5
175.11206	2.4
175.58847	1.7
177.12755	4.5
179.14330	2.9
181.10085	1.7
183.11678	3.9
185.09581	1.4
185.13216	2.4
187.11183	2.8
189.11165	3.7
189.12729	12.3
191.14270	1.6
195.11754	1.3
195.13770	3.3
197.13165	2.5
199.14784	1.9
207.13768	26.2
209.11711	3.9
211.13150	1.5
217.15733	2.4
223.13168	9.5
225.14726	2.3
227.12735	12.1
229.14244	1.5
229.19521	3.6
237.16360	1.7
239.18015	3.6
247.20621	2.1
249.14760	1.9
255.15881	4.8
257.18924	11.7
259.09814	1.4
267.15936	3.7
269.17484	19.4
271.33871	1.4
273.18417	8.3
275.20020	35.1
275.23007	2.1
276.20200	2.1
279.15881	2.9
281.17419	74.3
282.17789	2.8
283.15363	41.2
291.19492	55.5
292.19650	3.5
293.21078	2.9
309.20551	2.2
331.22595	4.4
349.23654	24.3
365.23175	36.2
366.23364	1.4
367.25238	3.0
429.31265	1.3
435.27448	4.2
445.30188	2.3
451.26752	4.9
459.30853	2.6
461.28937	31.2
462.29337	2.6
475.30542	91.0
476.31039	7.0
493.27661	3.7
497.32504	3.4
515.34180	3.4
527.37164	1.8
537.35602	4.6
541.35187	3.8
555.36780	72.2
556.37195	6.7
573.33887	67.5
574.34583	9.2
607.43207	3.5
608.43823	11.4
665.22217	1.8
699.40363	1.9
770.48676	6.0
932.54163	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	3.6
67.05495	46.9
69.03415	3.4
69.07057	14.2
69.59696	5.2
71.04972	2.7
73.02901	0.9
73.06535	1.3
77.03902	1.1
79.05480	53.2
81.02365	0.6
81.03410	8.4
81.07043	49.8
82.07355	0.9
83.04971	11.6
83.08611	8.1
83.27436	0.5
83.42821	0.6
85.02900	4.8
85.06519	2.8
91.03936	1.7
91.05466	42.1
92.05783	1.0
93.07027	51.4
94.07346	1.3
95.04952	15.1
95.08585	22.1
96.08976	0.6
97.02876	2.8
97.06517	8.8
97.10145	4.9
99.04446	1.1
99.08064	1.5
102.19668	0.6
103.05428	0.9
105.04522	1.9
105.07011	31.0
107.04954	6.5
107.08578	22.1
109.02837	1.4
109.06508	5.2
109.10146	6.2
111.08079	2.6
115.05448	0.7
117.06995	9.6
119.08560	19.7
119.09409	1.0
121.06471	3.7
121.10123	9.8
123.08055	4.6
123.11707	2.9
125.09620	1.8
127.03888	1.4
127.07574	1.0
128.06194	2.2
129.05507	0.7
129.06984	10.4
131.08559	7.8
133.06467	1.0
133.09169	1.1
133.10112	14.4
135.08032	2.1
135.11673	7.1
137.09618	0.9
139.07512	0.8
139.11230	0.6
143.08556	5.6
145.10100	9.4
147.08034	1.6
147.11658	19.6
148.11995	1.1
149.09579	5.0
149.13245	6.6
151.11122	1.3
155.08537	1.4
157.10143	1.8
159.11662	6.1
161.09589	2.7
161.13222	6.2
163.11169	3.9
169.10117	1.9
171.11673	14.7
173.04453	2.1
173.13260	2.2
174.28128	0.7
175.11127	0.9
177.12740	2.2
179.14282	0.9
183.11705	1.2
189.11292	0.9
189.12729	5.2
195.13791	1.8
197.13213	0.7
207.11813	0.8
207.13785	15.7
227.12776	1.2
239.17798	0.9
253.01833	0.7
253.14183	0.8
255.15894	4.4
257.19000	3.0
259.20679	1.2
269.17459	10.9
275.20010	11.1
281.17426	42.1
282.17795	2.0
293.21118	1.0
331.22498	0.9
349.23669	7.9
350.24332	0.7
367.24820	1.2
413.21661	0.8
435.27347	1.5
451.27011	1.1
457.29626	1.9
461.28949	18.0
462.29388	1.3
475.30508	100.0
476.30841	8.3
515.34076	0.7
527.37024	0.8
537.35760	1.7
555.36743	23.3
556.37097	2.3
573.37671	5.8
595.31055	0.8
619.34662	3.3
636.20569	0.9
699.40472	1.0
717.42163	0.9
960.18073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	2.7
67.05491	42.2
69.03407	4.1
69.06689	0.9
69.07052	14.5
71.04971	3.6
73.02878	1.0
73.06546	0.8
77.03902	1.0
79.05476	67.0
80.05808	0.9
81.03407	8.1
81.07038	39.0
83.04965	10.5
83.08607	14.0
85.02886	5.5
85.06512	2.2
91.03931	1.6
91.05459	48.7
92.05744	0.9
93.07024	58.6
94.07364	0.8
95.04945	17.1
95.08589	19.3
97.02853	3.5
97.06501	7.4
97.10151	23.0
99.04433	1.2
103.05439	1.9
103.11081	0.7
105.04508	1.5
105.07008	46.1
107.04929	10.0
107.08571	45.6
108.08937	0.9
109.02843	1.4
109.06474	6.4
109.10139	8.8
111.08038	2.8
114.14305	0.7
115.05406	1.5
117.06989	10.5
119.08554	28.0
120.08849	1.0
121.06473	4.0
121.10129	7.6
123.08070	5.2
123.11673	2.1
125.09605	19.8
127.03925	1.7
127.07461	0.9
128.06197	2.2
129.06976	11.9
130.07774	1.4
131.08551	8.4
133.06433	1.7
133.10095	18.6
135.08060	4.6
135.11655	5.0
137.09554	1.2
141.06952	1.6
143.08539	9.0
145.10098	19.1
147.07985	1.8
147.11656	33.3
149.09598	8.1
151.11205	0.9
151.17249	0.8
153.09082	1.8
155.08504	1.3
157.10104	2.1
159.11652	7.1
161.09572	2.9
161.13197	9.3
163.03870	2.4
163.05998	1.0
163.11150	4.7
169.10088	2.3
171.10204	1.4
171.11656	19.0
173.11800	1.4
173.13251	2.8
175.11060	1.1
177.12706	1.0
183.11703	2.3
185.13170	1.6
187.11192	1.0
189.11169	10.4
189.12738	5.8
197.13237	1.4
207.11786	1.4
207.13773	18.9
215.07025	1.0
223.13191	1.1
225.14839	1.5
227.12732	35.7
228.13057	1.0
229.19531	1.5
229.77229	1.1
239.17896	2.2
245.13966	1.1
257.18973	6.9
259.09543	2.9
260.09808	2.0
263.16293	0.8
264.29462	1.1
275.20016	33.0
279.15958	1.3
281.17422	51.4
282.17770	1.5
283.15326	2.9
291.19528	3.3
293.21164	0.8
313.21573	1.0
331.22629	5.5
349.23672	24.0
349.27954	1.3
350.24103	0.9
352.03271	0.9
365.23062	2.2
389.18240	0.9
414.61075	0.8
445.30289	2.6
448.69690	0.9
451.26794	26.5
452.26984	1.4
461.29099	1.1
463.31842	1.4
537.35504	8.7
555.36700	100.0
556.37097	6.3
573.35541	7.3
594.00183	1.0
595.31189	4.2
687.06818	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6285
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.1
67.05491	34.7
69.03405	1.9
69.07053	11.2
70.05711	7.1
71.04979	1.6
71.08614	20.7
72.83593	1.1
73.02893	3.3
79.05478	19.1
79.97911	1.0
81.07039	42.4
83.08606	9.1
85.02891	15.2
85.06509	1.9
85.10166	11.7
89.06005	1.7
91.03934	9.1
91.05463	11.8
93.07024	26.6
95.04919	2.6
95.08583	44.1
97.02866	7.3
97.06538	1.6
97.10152	3.9
98.21394	1.6
98.48101	1.0
105.07021	7.8
107.08570	14.9
109.10143	19.5
111.11720	1.6
113.69602	0.9
117.06971	3.7
119.08542	7.0
121.10114	12.9
123.11673	7.0
127.03873	3.2
131.08540	8.2
133.10092	6.6
135.11670	12.4
137.13251	1.9
145.04976	6.3
145.10121	5.9
147.11641	4.1
149.13245	6.9
159.11710	3.6
161.13240	5.4
163.05972	6.6
163.14795	4.8
173.13274	3.7
175.14764	1.6
177.16307	2.2
187.14821	2.2
239.23689	2.3
243.21001	7.4
251.48940	1.3
257.24631	1.2
261.19302	1.6
261.22101	36.2
313.27307	100.0
314.27762	1.3
317.24765	4.2
335.25723	73.1
336.26028	1.9
566.34479	1.2
573.48615	42.9
574.49084	1.4
591.49554	8.1
798.94098	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5555
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.9
66.39948	0.3
67.05493	12.0
69.03417	9.7
69.06693	0.4
69.07059	6.0
71.01326	1.7
71.04979	1.6
71.08623	0.4
71.15692	0.9
73.02904	8.8
73.06564	0.3
79.05478	9.0
81.03400	4.0
81.06548	0.3
81.07040	12.6
83.04960	1.2
83.08612	4.0
85.02892	21.9
85.06515	0.8
87.04449	0.5
91.03940	12.2
91.05458	8.1
93.07025	8.2
95.04969	2.0
95.08591	11.2
95.09197	0.7
97.02875	20.2
97.06508	1.2
97.10162	1.7
99.04432	1.8
99.08082	0.4
101.02355	2.3
103.03904	0.5
103.05457	0.4
105.04498	0.4
105.07006	7.7
106.93360	0.3
107.04940	1.1
107.08580	6.1
109.02863	1.5
109.06511	1.1
109.10130	5.2
111.04416	0.4
111.08073	0.7
115.03925	1.2
115.05449	0.9
117.06992	5.1
119.08559	7.9
119.34944	0.3
121.10120	4.8
123.08045	0.8
123.11700	1.6
125.09613	0.9
127.03894	4.8
128.06227	2.0
129.05492	0.7
129.06982	6.1
130.07773	0.3
131.08554	7.6
133.06416	0.4
133.10104	5.1
135.08032	0.6
135.11665	2.1
137.09587	0.6
139.11096	0.3
141.06949	3.1
142.07755	1.5
143.08524	7.7
143.09612	0.4
144.09282	0.4
145.04948	3.5
145.06424	0.4
145.10097	6.8
147.07997	0.4
147.11679	3.0
149.09633	0.8
149.13246	1.3
153.06960	0.9
154.07761	0.9
155.08521	6.3
156.09322	1.0
157.10103	7.5
158.10777	0.4
159.11674	4.4
161.13231	1.9
163.05995	1.1
163.11314	0.4
163.14795	0.7
165.07008	0.9
167.08551	3.4
168.09285	1.0
169.10114	8.7
169.11490	0.6
170.10864	0.6
171.11667	6.8
173.09702	0.4
173.13243	3.6
175.14844	1.4
179.08507	1.6
180.09268	0.4
181.10091	6.3
182.11008	0.7
183.11667	7.9
184.12392	0.5
185.09705	0.5
185.13243	5.2
185.14771	0.5
187.14731	2.4
189.16411	0.6
191.08566	0.4
193.10133	1.8
194.10822	0.6
195.11656	4.9
195.13319	0.5
196.12344	0.7
197.13208	5.9
198.14095	0.4
199.14848	3.8
201.16385	1.0
205.10153	0.5
206.10838	0.4
207.11670	1.8
208.12386	0.5
209.13239	4.8
210.13832	0.5
211.14798	4.3
213.14647	0.6
213.16397	2.5
215.14252	0.4
215.17944	0.7
219.11630	0.8
221.13216	2.2
223.14780	3.7
225.12889	0.4
225.16336	2.9
227.17978	1.5
231.11748	0.5
233.13243	1.1
235.14757	2.3
237.16397	2.9
239.17894	2.2
241.19762	0.6
247.14830	0.5
249.16437	1.5
251.17952	1.4
252.18388	0.4
253.19572	1.0
259.14844	0.5
259.20465	0.4
263.17999	0.6
265.19550	1.1
267.21170	0.5
275.17545	0.4
277.19388	0.8
279.21130	0.8
281.18906	0.5
281.22690	0.7
283.20447	0.5
291.21140	0.6
293.22714	0.5
295.20367	0.6
297.22012	0.8
299.23666	0.5
307.20593	0.5
307.23956	0.5
309.22083	0.8
313.27289	1.0
319.24011	0.5
321.22070	0.6
323.23480	0.7
325.25192	0.4
335.23761	1.0
337.25162	0.8
341.24725	0.7
349.25055	0.8
351.23160	0.4
351.26978	1.0
353.24777	0.5
363.26724	0.6
365.24503	0.4
365.28510	0.7
369.27783	0.4
376.23050	0.3
377.28366	0.7
379.30225	0.5
381.28003	0.6
391.30151	0.6
409.31024	0.5
417.31479	0.4
419.29034	0.6
421.30997	0.4
431.32748	0.4
433.30682	0.5
435.32401	0.7
436.92746	0.4
447.32501	1.1
449.33774	0.3
453.33084	0.4
461.33972	0.5
473.32730	0.5
475.35056	0.4
499.33325	0.5
499.39676	0.5
501.35812	0.8
503.35779	0.4
507.35025	0.4
513.35608	1.0
515.37878	0.9
517.40387	5.2
521.36523	0.4
525.35614	0.6
527.37048	0.7
529.39233	0.7
535.41748	2.0
539.37244	1.7
540.37769	0.7
541.39130	1.1
550.79144	0.4
553.38232	0.5
573.43127	0.9
581.42377	0.5
591.44019	6.0
607.43274	2.8
609.45020	100.0
610.45435	5.8
621.45050	2.2
625.42749	0.5
627.46375	0.4
633.45270	1.1
643.43994	0.4
651.46124	1.8
663.45734	0.4
675.45898	0.5
693.47217	0.9
699.46259	1.8
717.47186	2.0
735.48206	2.4
753.49213	3.3
771.50281	26.7
772.50140	1.7
915.53644	0.4
933.55475	7.4
934.54865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	4.5
67.05494	65.3
68.05806	2.2
69.03423	11.4
69.07059	27.5
69.52845	9.3
69.53266	5.6
71.01325	1.8
71.04970	10.0
73.02912	3.8
77.03930	2.1
79.05017	3.8
79.05479	77.9
80.05831	2.7
81.03401	24.3
81.07041	78.1
82.07377	3.3
83.01318	7.8
83.04968	25.2
83.08602	21.3
85.02894	32.9
85.06525	5.0
91.03943	12.1
91.05463	85.3
92.05737	2.5
93.07028	95.3
94.07344	3.6
95.04956	25.2
95.08589	44.5
97.02874	24.2
97.06514	15.4
97.10159	7.5
97.35021	1.6
99.04454	7.7
99.08067	4.8
103.05461	3.5
104.06236	1.9
105.07010	76.5
106.07367	1.9
107.04938	12.5
107.08576	47.7
108.08884	2.5
109.02856	2.7
109.06512	11.4
109.10134	15.8
111.04436	4.2
111.08061	5.6
115.03907	1.8
115.05424	3.2
116.06159	1.8
117.07000	34.4
119.08561	58.2
120.08865	2.1
121.06504	9.9
121.10119	27.8
123.08048	14.4
123.11706	2.8
125.05959	3.0
125.09633	7.8
127.03880	10.1
128.06209	3.6
129.05458	5.1
129.06989	12.9
130.07771	2.3
131.08546	30.9
131.09454	2.5
133.06461	3.0
133.10107	43.9
134.10457	2.2
135.04343	1.7
135.08049	7.5
135.11671	27.8
137.09583	4.4
139.07524	2.1
140.75275	1.8
141.06963	2.1
143.08533	12.6
145.04945	7.5
145.06436	1.5
145.10094	42.1
147.08052	3.9
147.11655	32.9
148.12024	1.9
149.09613	12.4
149.13235	15.2
151.11159	4.0
153.12737	4.3
155.08510	5.3
157.10098	10.3
159.08072	2.0
159.11644	20.4
161.09596	4.0
161.13200	19.1
163.05948	5.4
163.11157	36.9
165.09129	2.8
165.58235	1.6
169.10147	5.0
171.11659	13.4
173.09589	5.1
173.13203	12.5
175.14850	4.6
177.12704	3.9
179.14284	2.8
181.12180	5.4
183.11656	3.6
184.07262	1.9
185.13223	8.8
187.14870	2.2
189.11160	5.3
189.12732	2.3
191.10583	4.1
191.14261	1.7
193.12282	1.8
195.11964	1.7
195.13713	7.9
197.13196	2.0
199.14803	4.5
207.13768	4.3
209.11632	8.3
213.16498	2.1
219.13649	2.1
227.12704	13.8
229.19424	3.4
231.21147	4.6
233.15511	2.2
239.18071	2.5
241.19487	17.2
253.14296	3.8
255.81073	1.8
257.15366	1.8
257.18918	8.4
259.20535	48.7
267.15814	3.1
269.17404	20.0
275.20026	19.8
281.17484	7.3
283.15356	100.0
284.15826	3.7
297.22095	5.9
315.23105	4.9
331.22583	2.6
333.24203	27.6
349.23615	13.3
431.29260	4.7
449.30347	6.3
459.27051	1.9
467.31799	3.5
475.30460	7.4
476.30734	8.9
477.28290	61.3
485.32361	2.2
489.28278	3.2
513.35400	2.4
523.34033	6.4
541.35181	64.8
542.35559	3.5
557.34485	11.1
559.36035	13.2
574.34644	2.0
575.35339	5.2
629.35022	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.497
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	3.5
67.05493	61.0
69.03413	11.0
69.07060	25.6
69.53940	8.7
71.01357	2.1
71.04987	9.9
73.02897	5.1
77.03895	2.2
77.04767	1.2
79.05479	71.0
80.05828	2.5
81.03407	25.6
81.07042	73.1
82.07378	2.6
83.01328	8.7
83.04965	21.9
83.08603	21.0
85.02891	29.0
85.06515	5.3
87.04433	1.3
88.44366	1.0
91.03947	14.8
91.05463	77.9
92.05746	1.5
93.07027	89.4
94.07352	2.2
95.04950	20.2
95.08588	38.6
96.08920	1.0
97.02872	20.6
97.06508	13.7
97.10156	8.0
98.21430	2.2
99.04417	4.5
99.08067	5.1
101.02319	1.3
103.05438	3.0
105.04509	1.9
105.07009	71.9
106.07295	1.5
107.04932	15.5
107.08575	46.3
108.08900	2.1
108.17513	1.3
109.02858	3.6
109.06510	13.7
109.10142	17.9
111.04428	7.3
111.08066	8.9
115.05415	2.2
116.06215	1.4
116.27858	1.0
117.07011	27.4
119.04981	1.1
119.08562	54.1
120.08904	1.1
121.06478	9.0
121.10121	27.1
123.08047	14.8
123.11669	3.1
125.05970	3.1
125.09632	6.9
127.03894	8.9
128.06206	2.5
129.05455	5.1
129.06993	15.2
130.07735	3.6
131.04921	1.8
131.08548	35.5
132.08917	1.7
133.06438	2.2
133.10114	44.2
134.10429	1.3
134.13130	1.0
135.08052	7.8
135.10632	1.5
135.11667	27.3
137.09554	5.3
137.13188	1.8
139.07475	1.1
141.06952	1.3
142.07747	1.3
143.08539	13.7
145.04926	7.0
145.06477	2.6
145.08966	2.0
145.10106	39.7
147.08006	4.1
147.10568	2.0
147.11674	29.8
148.12041	1.8
149.09590	11.2
149.13229	11.9
151.11156	3.5
153.09070	1.5
153.12727	3.8
155.08502	3.0
157.10088	10.3
159.11665	20.0
161.09593	3.2
161.13239	14.6
163.05974	5.4
163.11159	31.6
165.12708	1.4
169.10098	3.8
171.08029	1.4
171.11658	12.0
173.04384	2.3
173.09631	4.7
173.13223	13.2
175.11092	1.6
175.14816	5.8
177.12733	4.4
181.12157	5.8
183.11668	3.5
185.13203	7.4
187.11111	1.8
187.14804	2.7
189.11174	6.0
189.12627	2.4
191.10672	5.8
193.12181	2.4
195.11929	1.7
195.13750	7.8
197.13222	2.6
199.14763	6.0
207.13748	3.1
209.11647	10.6
211.13046	1.5
211.14844	2.3
213.12776	1.4
213.16454	1.9
217.15846	2.2
226.05803	1.2
227.12727	18.2
227.14786	1.6
228.13312	1.4
229.14156	1.2
229.19475	1.2
231.17375	1.4
231.21053	3.2
239.17903	3.9
241.19518	16.8
243.12070	2.1
247.20610	1.9
251.16376	1.9
253.14299	3.4
254.14665	2.4
255.15602	2.2
257.18994	9.1
259.20538	48.4
265.14478	2.0
267.15894	2.7
269.17413	19.9
270.17673	2.4
275.20044	23.8
276.20343	1.8
277.21823	2.1
281.17380	6.5
283.15363	100.0
284.15823	2.5
297.22107	7.4
313.21664	1.5
315.23203	6.3
331.22519	2.4
333.24210	32.9
334.24542	1.8
349.23721	14.6
351.24704	2.2
421.31204	1.4
431.29407	2.7
437.25287	3.1
449.30273	5.8
459.26938	1.5
461.28754	2.7
463.27332	1.2
467.31467	4.8
475.30319	5.3
476.30875	7.9
477.28317	63.5
478.28455	3.1
485.32501	3.9
489.28223	3.1
513.35620	3.3
523.33997	8.4
539.34198	1.5
541.35242	69.8
542.35468	2.4
555.36902	1.7
556.37183	1.8
557.34442	12.2
559.36249	14.6
575.35095	5.0
593.35626	1.3
909.55011	1.3
912.62921	1.3
934.44586	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	1.8
67.05495	39.3
69.03413	9.1
69.07057	21.3
69.56567	3.1
69.56991	2.8
71.01342	1.6
71.04984	5.9
73.02901	2.7
77.03911	0.8
79.05482	42.5
80.05807	0.7
81.03402	25.9
81.07043	51.4
82.07356	1.2
83.01333	5.8
83.04967	17.5
83.08605	17.8
85.02888	16.4
85.06534	2.9
87.04449	0.9
91.03956	4.7
91.05465	37.1
93.07029	49.2
94.07372	0.9
95.04951	16.2
95.08591	24.0
97.02883	9.0
97.06516	14.7
97.10144	9.6
99.04436	3.4
99.08065	2.1
103.05451	1.6
105.07014	27.3
107.04943	13.1
107.08576	32.8
109.02846	2.8
109.06499	11.3
109.10138	9.7
111.04429	3.4
111.08080	5.3
111.11724	0.9
113.06004	1.2
113.09664	0.9
115.05419	2.1
116.06213	0.7
117.07005	15.4
119.07722	1.4
119.08562	23.0
121.06477	5.6
121.10123	16.7
123.04447	1.0
123.08054	11.3
123.11694	2.4
125.05975	1.7
125.09614	7.5
127.03910	4.8
128.06201	0.9
129.05481	2.5
129.06976	5.9
130.07797	1.3
131.04875	1.2
131.08545	16.6
133.06467	1.6
133.09219	0.5
133.10104	16.2
135.08028	5.9
135.11668	19.5
137.09604	3.4
139.07500	1.7
141.06949	1.2
142.07719	0.8
143.08539	3.6
145.04926	1.9
145.06483	2.3
145.10106	23.2
147.08012	4.2
147.11659	7.7
149.05879	0.6
149.09608	10.6
149.13237	7.6
151.11169	2.2
153.09061	1.2
153.12753	2.3
155.08514	3.8
157.10114	4.9
159.08107	1.2
159.11679	9.2
161.09587	1.9
161.13252	2.9
163.03880	1.9
163.06009	1.5
163.11168	27.8
165.09109	1.6
165.12770	1.6
169.10114	1.9
171.07985	0.8
171.11641	2.5
173.04449	2.8
173.09584	3.5
173.11896	0.8
173.13194	3.6
175.11133	3.7
175.14778	0.9
177.12755	3.0
179.14294	1.5
181.12196	3.9
183.11597	1.2
185.13283	1.2
187.11121	1.2
187.14789	1.2
189.11169	4.0
189.12706	0.7
191.10646	3.3
193.12210	6.6
195.13792	4.8
197.13268	1.7
199.14799	0.7
201.12657	0.9
205.12250	0.9
206.55016	0.7
209.11665	5.2
209.13326	0.7
211.11273	1.0
211.13248	10.0
211.15126	0.8
219.13800	0.7
223.13264	4.9
227.12735	14.5
229.14244	0.9
229.19559	1.5
239.17990	2.5
242.73383	0.7
247.20537	1.5
249.14810	1.6
251.16441	0.9
255.15822	8.3
257.18985	5.3
259.20547	1.4
265.14285	1.2
267.15854	9.0
269.17450	19.8
273.18512	4.8
275.20010	22.8
283.15359	73.7
284.15704	1.7
285.16959	8.6
291.19504	25.7
293.20828	3.5
299.15036	1.0
309.20636	0.8
331.22672	1.9
333.24265	0.7
339.17908	0.8
347.22134	1.2
349.23697	18.6
365.23135	14.1
367.24701	2.5
379.21176	0.9
385.23904	0.7
389.68893	0.6
401.23141	0.8
413.21820	2.5
437.25317	2.4
445.25665	1.1
453.24948	2.6
459.27298	4.5
461.28888	1.2
463.26852	22.6
464.27374	1.1
477.28418	100.0
478.28543	4.0
493.27908	1.5
495.29349	0.8
517.31665	2.2
539.33337	3.8
557.34650	47.1
558.34869	2.3
575.35742	32.0
576.36072	1.7
579.27576	1.0
581.29565	0.8
597.28131	1.0
603.31232	0.8
621.32617	4.3
701.39313	1.3
719.39709	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.5715
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	1.0
67.05495	12.6
69.03419	6.2
69.07063	5.3
71.01340	0.9
71.04993	1.0
71.08618	1.1
71.45014	0.9
71.45376	0.5
71.57484	0.4
73.02907	6.8
77.03913	0.5
78.01653	0.5
79.04736	0.5
79.05481	8.7
81.03410	4.3
81.07041	11.7
81.07532	0.6
83.04968	1.1
83.08599	3.0
85.02375	1.1
85.02889	17.7
85.06541	0.6
87.04438	0.8
91.03938	10.1
91.05466	7.5
93.07033	8.6
95.04939	2.1
95.08594	9.4
97.02878	16.0
97.06523	1.5
97.10136	1.9
99.04441	1.9
101.02359	2.3
103.03944	0.6
103.05520	0.5
105.07011	7.3
107.08591	5.4
109.02852	1.7
109.06509	0.7
109.10130	4.3
111.08051	0.9
115.03868	1.3
115.05431	0.8
117.07014	5.2
119.08558	6.7
121.10139	3.2
123.08054	1.0
123.11761	1.1
125.09625	0.7
127.03896	4.6
128.06213	1.3
129.06981	5.2
131.08549	9.0
133.10117	3.8
134.74606	0.5
135.11667	1.6
137.13258	0.8
141.07004	1.5
142.07800	1.1
143.08549	7.6
145.04929	3.0
145.10094	7.7
147.11644	3.3
149.13239	1.2
155.08525	4.7
156.09285	0.6
157.10101	6.4
159.11664	5.3
161.13257	1.9
163.06064	0.8
163.11159	0.9
163.14783	0.7
165.06905	0.5
167.08562	1.4
169.10103	5.4
171.11671	5.5
173.13245	3.2
175.14815	1.1
176.56903	0.4
177.16493	0.5
181.10094	3.0
183.11659	5.6
185.13257	4.7
187.14745	2.5
189.16316	1.2
193.10155	1.0
194.10957	0.5
195.11644	3.4
197.13197	3.8
199.14796	3.1
201.16396	0.9
203.17932	0.7
207.11700	1.1
209.13289	2.2
211.14781	3.7
213.16353	3.0
215.17958	1.5
219.99522	0.5
221.13306	1.2
223.14841	1.7
225.16367	2.3
227.18028	2.2
229.19487	0.7
231.21169	0.5
235.14784	0.9
237.16382	1.5
239.17929	1.6
241.19540	1.8
243.20926	0.7
249.16443	0.9
251.18056	0.9
253.19524	0.8
255.21115	0.8
267.21075	0.9
269.19003	0.7
279.20819	0.6
283.24234	0.6
299.23889	0.5
381.31268	0.6
391.30652	0.5
395.33176	0.6
501.41556	0.8
515.37402	0.7
519.42041	3.3
527.37103	0.9
529.39075	0.6
537.43024	1.7
541.38708	1.0
593.45636	4.1
609.44904	3.3
611.46582	100.0
612.47113	6.6
623.46771	1.9
635.46252	0.8
653.47583	1.6
677.48505	0.7
683.46387	0.6
701.47583	0.9
719.48389	1.1
737.49335	2.4
755.50708	3.0
773.51831	27.5
774.52222	1.5
935.57458	4.8
936.57178	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	4.5
67.05493	70.7
69.03420	13.2
69.06694	2.0
69.07056	35.9
71.04982	9.7
71.57935	1.3
71.65108	1.3
73.02903	4.0
79.05482	83.4
81.03407	90.9
81.07043	83.7
83.04969	25.8
83.08606	39.4
85.02892	47.5
85.06522	5.9
91.03932	8.1
91.05465	82.8
93.07027	67.6
94.94653	1.3
95.01328	1.9
95.04955	44.2
95.08591	38.2
97.02866	15.6
97.06511	20.1
97.10146	23.4
98.20721	3.1
99.04423	3.5
99.08058	4.4
103.05457	2.7
105.04496	2.5
105.07016	76.6
106.94555	1.4
107.04939	19.2
107.08579	59.9
108.08818	1.5
109.02815	2.2
109.06503	12.8
109.10144	20.0
110.61983	1.3
111.04415	5.6
111.08077	15.5
112.68412	1.3
113.05970	3.4
113.09615	2.2
115.05429	5.1
117.06992	22.4
118.20108	1.2
119.04928	2.7
119.08565	49.5
121.06469	7.3
121.10118	25.9
123.04436	2.6
123.08059	8.0
123.11684	5.8
125.09622	16.4
127.03890	5.8
128.06244	2.1
129.05443	2.2
129.06975	20.3
131.04916	2.3
131.08549	36.3
133.06493	8.1
133.10112	36.8
134.10446	1.5
135.08006	7.0
135.11661	13.7
137.05937	1.4
137.09612	5.1
137.13290	2.1
141.06966	4.7
142.07759	4.1
143.08569	6.9
145.04915	2.4
145.06490	2.3
145.10092	27.2
147.08020	4.7
147.11670	33.6
149.09608	22.7
149.13205	7.5
151.11195	3.6
153.09064	2.8
155.08533	3.9
157.10104	24.7
159.08058	2.3
159.11659	15.4
161.09587	2.8
161.13237	5.4
163.03865	3.5
163.11157	13.0
165.12735	4.4
167.08504	1.6
169.10126	4.6
171.11646	6.5
173.04411	3.8
173.11848	2.0
173.13223	5.3
174.15286	1.5
175.11162	20.9
177.12712	3.7
179.14262	3.7
181.12276	1.6
183.11694	4.1
185.13272	2.3
187.11221	3.0
189.11201	13.1
189.12712	2.4
193.12221	58.5
194.12425	2.0
195.13751	2.2
197.13263	2.4
199.14833	2.1
201.12604	1.6
211.13260	89.9
227.12741	31.8
229.14325	6.0
229.19505	3.7
239.17960	2.9
245.13918	2.0
247.20554	3.8
249.14809	2.3
253.17838	1.9
255.15843	4.9
257.18958	15.0
267.15891	43.5
269.17462	14.1
275.20013	54.7
276.20319	1.6
283.15424	2.2
285.16919	95.3
286.17212	2.6
293.21005	4.6
331.22552	6.1
337.79285	1.4
349.23706	56.9
350.24033	1.9
395.20010	1.6
421.25720	3.7
437.25131	4.9
439.26688	10.0
447.27246	7.0
449.30972	1.5
455.26273	7.7
461.28961	21.7
463.30463	3.8
465.28555	8.2
477.28583	2.4
479.30008	53.2
480.30347	1.8
501.32141	1.6
523.34515	2.5
541.35162	42.2
542.35211	2.3
559.36218	100.0
560.36298	6.8
577.37177	9.7
601.37250	2.6
623.33923	5.7
685.39178	2.1
703.40643	1.5
936.35339	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	4.4
67.05494	75.2
69.03415	16.0
69.07057	28.0
71.04971	10.6
71.08613	2.8
73.02912	7.5
79.05478	84.6
80.52469	1.2
81.03402	74.6
81.07040	86.6
82.07370	1.6
83.04965	30.6
83.08607	33.8
85.02888	49.4
85.03392	3.0
85.06537	5.4
91.03928	12.0
91.05463	100.0
93.07026	80.8
94.07343	1.2
95.04950	43.9
95.08588	40.9
96.04454	1.5
97.02875	17.1
97.06519	15.4
97.10148	7.8
98.10962	1.2
99.04468	2.7
99.08060	3.7
103.03904	1.6
103.05460	1.9
105.04506	2.2
105.07010	78.8
107.04942	18.7
107.08572	37.9
109.02849	2.8
109.06501	12.9
109.10136	14.8
110.14500	1.2
111.04430	4.5
111.08053	15.7
112.99994	2.3
113.06015	3.4
113.09669	2.0
115.05448	3.9
116.06161	1.3
117.06995	22.7
119.08562	64.2
121.06496	7.7
121.10119	28.9
123.08047	6.1
123.11682	5.7
125.09589	6.7
127.03902	7.5
127.07555	1.7
128.06230	4.6
129.05466	5.9
129.06984	28.6
130.07791	3.0
131.07550	1.4
131.08548	45.0
133.06433	5.6
133.10100	48.9
135.08038	4.4
135.11679	17.7
137.09598	5.3
137.13202	2.0
141.06975	4.0
142.07733	6.5
143.08556	10.8
145.04907	7.0
145.06456	1.8
145.10100	26.7
147.08015	6.6
147.11652	44.7
149.09583	12.5
149.13235	14.6
151.11169	3.8
155.08551	2.7
157.10086	26.1
159.08127	1.5
159.11670	18.8
161.13225	15.8
163.06024	3.5
163.11168	11.5
163.14793	2.3
165.12784	4.7
167.08588	2.1
169.02611	1.6
169.10155	5.9
171.08142	1.4
171.11655	11.3
173.04414	2.3
173.13251	10.3
175.11145	19.1
175.14780	7.8
177.12738	2.5
179.14264	1.7
180.08644	1.3
181.12088	2.1
183.11703	5.8
185.13214	8.0
187.11200	1.5
187.14845	3.7
189.11137	3.0
189.12683	1.5
193.12198	61.7
195.11937	1.9
195.13815	5.5
197.13240	2.2
199.14821	4.8
207.11942	1.4
209.11636	2.3
209.13380	1.6
211.13246	77.0
212.13698	1.7
213.14696	1.7
213.16510	2.1
227.12680	9.4
229.14294	3.7
229.19518	1.3
229.45084	1.5
231.21027	3.3
239.17880	2.6
241.19490	14.0
257.19016	9.0
259.20532	35.4
260.20963	1.9
261.22144	2.2
267.15860	35.0
269.17374	23.2
275.20023	17.7
277.21652	2.0
281.17548	1.2
283.15427	10.5
285.16910	81.8
286.17365	1.7
293.18195	1.3
293.20895	7.9
297.22141	1.9
301.16489	2.9
315.23099	3.0
321.16647	1.6
331.22739	1.7
333.24176	32.6
335.25980	2.7
349.23709	13.3
351.25333	2.6
367.25104	1.4
417.94675	1.4
421.25665	1.4
433.30832	4.8
437.25021	1.5
439.26971	1.3
451.32086	5.7
461.28748	10.5
465.28156	2.0
469.33020	3.1
473.29004	1.5
477.28406	12.5
479.29965	40.2
488.34421	2.0
489.34192	1.5
492.48468	1.5
507.34595	2.5
515.37396	2.8
525.35663	21.1
541.34943	7.4
543.36707	53.5
544.37036	1.9
559.36304	14.4
561.37665	2.7
577.36774	3.8
651.38367	2.7
937.45160	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	936.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	5.2
65.12321	1.4
67.05497	75.6
69.03425	11.7
69.07059	27.5
71.01331	2.5
71.02583	2.5
71.02921	2.4
71.04975	11.9
71.08617	1.3
71.73717	1.6
73.02923	6.4
77.03928	1.5
79.05482	79.5
80.05788	1.4
81.03409	66.7
81.07047	83.2
83.04967	24.6
83.08608	31.7
85.02896	38.5
85.06531	4.3
87.04470	1.2
91.03946	9.7
91.05467	100.0
92.05796	2.8
93.07032	74.1
93.93793	1.3
95.04955	37.7
95.08594	42.9
97.02880	18.7
97.06525	16.2
97.10159	9.3
99.04426	2.9
99.08075	5.5
101.02363	1.6
103.05455	3.0
105.07018	86.6
106.07343	1.4
107.04949	15.4
107.08582	36.6
109.02877	3.0
109.06519	10.7
109.10145	19.3
111.04441	6.0
111.08073	12.6
113.06001	3.5
115.05425	4.8
116.06256	1.3
117.07008	22.2
119.08569	65.4
121.06481	4.8
121.10129	29.6
123.04422	1.6
123.08082	6.2
123.11674	4.5
125.09661	6.3
127.03882	8.2
128.06221	4.5
129.05449	4.3
129.06995	22.8
130.07809	1.8
131.08556	44.5
133.06468	4.4
133.10120	51.7
135.08034	5.3
135.11681	20.6
137.05989	1.3
137.09622	5.1
139.07516	1.7
141.06990	3.0
142.07759	6.4
143.08560	11.2
145.04942	6.5
145.06419	1.5
145.10110	24.6
147.08015	4.3
147.11664	50.0
149.09605	16.7
149.13251	13.7
151.11159	2.8
155.08575	3.6
157.10120	28.8
159.11678	23.2
161.09625	2.0
161.13248	17.6
163.05989	4.3
163.11171	11.0
163.14774	2.9
165.12724	3.6
166.14087	1.3
169.10114	4.2
171.11652	10.1
173.04460	2.3
173.09666	1.8
173.11810	2.0
173.13194	9.7
175.11168	19.4
175.14763	5.9
177.12741	5.4
179.14339	2.4
181.10118	2.1
183.11714	3.9
185.13228	9.0
187.11125	1.9
187.14822	3.2
189.11238	3.0
189.12749	1.8
193.12216	56.5
195.11887	1.8
195.13795	7.9
197.13252	2.4
199.14804	4.6
201.12793	1.5
203.14296	1.7
207.11694	1.5
209.13318	2.0
211.13261	66.6
212.13721	2.6
213.16461	2.2
215.14484	1.5
217.15839	1.9
227.12691	6.4
229.14328	2.6
231.21104	5.7
233.15437	2.6
239.17854	1.7
241.19478	16.5
247.20630	1.9
249.14766	1.5
253.14378	3.2
257.19037	6.9
259.20541	49.6
260.21103	1.4
261.22113	1.5
267.15891	34.4
269.17450	27.9
275.20093	16.6
277.21530	1.9
283.15317	7.6
283.20599	1.6
285.16934	60.2
291.19427	2.0
293.21014	1.7
315.23151	4.9
333.20264	2.2
333.24216	38.0
334.24567	1.6
349.23776	13.4
351.25601	1.8
367.22845	1.3
369.24261	1.4
415.29605	1.5
421.25766	3.0
433.31006	4.1
439.27304	2.2
443.28543	1.4
451.32147	6.6
461.28818	12.9
465.28659	1.3
469.32758	2.7
477.28244	4.7
479.29980	33.6
515.37427	3.5
525.35748	21.7
541.35168	4.4
543.36768	53.9
544.36896	1.8
559.36536	10.6
561.37390	2.4
575.35516	1.7
577.36963	3.4
634.83521	1.5
687.40918	1.4
936.35559	1.8
937.46906	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	936.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	2.1
67.05493	60.0
69.03401	4.0
69.07056	13.1
70.92528	2.8
71.04974	3.3
71.08610	2.8
75.90226	1.1
79.05020	1.9
79.05480	43.3
81.03405	79.5
81.07043	64.6
83.04974	6.2
83.08604	21.6
85.02898	9.1
85.06524	3.1
86.42200	1.2
91.03937	5.0
91.04922	2.2
91.05465	37.6
91.38664	1.1
93.07028	45.9
95.04951	29.3
95.08590	46.5
96.47089	1.3
97.02858	7.5
97.06506	4.5
97.10152	8.4
105.07015	28.3
107.04926	8.8
107.08578	23.9
109.06487	5.9
109.10132	19.6
109.73565	1.3
111.04415	2.0
111.08080	6.3
111.11687	1.3
111.27076	1.1
112.47579	1.0
115.05474	2.1
117.07008	6.5
119.08566	23.7
121.06505	3.9
121.10125	26.3
123.04404	2.0
123.08047	3.3
123.11678	6.4
125.09568	5.8
127.03890	2.1
129.06985	13.0
131.08545	17.5
133.06511	2.3
133.10104	15.4
135.08069	1.6
135.11652	14.2
136.79652	1.1
137.05919	1.8
137.09572	4.1
137.13208	3.1
141.06902	1.3
142.07715	2.9
143.08531	4.5
145.04889	3.4
145.10107	13.6
147.08003	3.8
147.11647	12.3
149.09596	4.9
149.13225	6.8
155.08508	1.8
157.10104	9.9
158.07230	1.5
159.08109	1.5
159.11694	7.8
161.13242	5.4
163.05920	3.9
163.11182	2.7
163.14771	3.4
165.12704	2.1
171.10112	1.6
171.11653	2.8
173.13145	6.3
175.11124	9.0
175.14784	2.7
185.13258	2.3
187.14767	2.7
189.11163	2.9
193.12213	19.8
201.16280	1.5
205.12166	2.0
211.13245	2.6
219.13577	1.6
223.13214	1.6
227.12730	7.9
235.13223	2.4
243.20996	7.9
249.14912	3.1
259.13226	2.3
261.22119	27.5
262.22592	1.4
267.15875	90.4
268.16235	2.5
279.23276	3.0
282.27805	2.9
301.14023	2.8
301.25064	7.4
309.16885	5.1
309.20306	1.3
313.23959	1.7
313.27359	22.8
314.27716	1.7
317.24771	3.7
333.16785	1.4
335.25757	100.0
336.25977	4.7
393.23798	2.2
403.24609	1.7
421.25714	2.1
435.27170	3.4
435.32465	4.3
436.28134	6.5
449.28677	1.4
453.33533	10.1
454.29306	5.9
461.29108	1.9
471.34659	5.5
486.64648	1.2
509.35977	1.5
527.37250	77.0
528.37238	5.0
545.38300	71.5
546.38660	5.5
559.39606	3.1
569.38239	12.8
577.40717	1.8
611.38440	2.2
623.39032	2.3
635.39117	3.9
653.39758	2.9
671.41174	5.3
739.65070	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5842
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	1.6
69.03416	3.4
69.07072	0.7
70.36375	1.1
71.01351	0.4
71.05014	0.4
71.08628	0.9
72.83671	0.3
73.02901	3.4
79.05490	1.3
81.03410	1.3
81.07035	2.1
83.08605	0.5
85.02892	6.0
85.10164	0.7
91.03948	3.5
91.05486	0.6
93.07021	1.7
95.08582	2.3
97.02868	5.2
99.04444	1.0
101.02357	1.7
104.99264	0.7
105.07012	0.6
107.08581	0.9
109.02877	0.8
109.10130	0.8
115.03991	0.5
119.08593	0.3
121.10150	0.6
123.11687	0.4
127.03869	1.7
131.08582	0.3
135.11699	0.5
145.04927	0.4
171.61853	0.3
185.04294	0.9
203.05325	0.5
221.63148	0.3
243.08391	2.0
268.99860	0.4
313.27377	0.5
347.09296	2.0
363.09070	0.5
365.06506	0.4
365.10800	1.2
388.84515	0.3
405.13593	5.2
405.18378	0.5
497.30716	4.2
519.29095	5.4
659.35852	3.8
681.34320	6.4
682.35706	0.5
695.02820	0.4
775.53442	1.1
937.58398	100.0
938.58923	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	949.55
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	58.0
69.03424	18.1
69.07056	20.5
70.26309	1.0
71.04988	5.9
71.70747	1.8
73.02901	9.2
74.86028	0.9
77.03913	1.0
79.05480	48.4
81.03404	26.3
81.07040	60.6
82.21159	1.1
83.04961	9.3
83.08601	16.2
85.02890	33.5
85.06527	3.7
88.17344	1.2
91.03931	12.0
91.05463	50.5
93.07025	51.6
94.07325	1.0
95.04951	14.8
95.08585	43.5
97.02876	26.3
97.06519	16.1
97.10150	10.8
98.20747	1.1
99.04448	6.4
99.08072	3.2
101.02364	1.4
103.05448	3.7
105.07011	46.7
107.04941	10.8
107.08576	32.1
109.02865	5.2
109.06528	8.0
109.10136	23.0
111.04437	2.8
111.08063	4.6
113.09601	1.3
115.03914	2.4
115.05440	3.8
117.06998	23.5
119.08561	37.6
121.06494	5.3
121.10119	19.4
123.08041	3.9
123.11675	8.0
125.09588	7.3
127.03896	9.4
128.06192	5.7
129.05476	2.1
129.06979	19.1
130.07794	2.3
131.08551	35.2
133.06468	3.9
133.10100	25.8
133.44026	1.1
135.08067	4.7
135.11674	13.1
137.09575	3.3
139.11115	2.0
141.06946	7.3
142.07764	4.1
143.08539	19.9
145.04942	4.9
145.06410	2.2
145.10092	28.1
147.08032	4.6
147.11650	19.8
149.09583	8.5
149.13268	5.7
151.11168	3.1
153.06982	2.1
153.09181	1.1
154.07727	1.3
155.08507	12.7
156.09258	1.6
157.10098	20.2
159.08086	2.8
159.11668	18.2
161.09624	3.5
161.13229	9.7
163.11131	4.4
165.05467	1.6
165.06987	2.9
165.12796	3.5
166.07758	2.7
167.07329	1.1
167.08542	6.5
168.09300	2.4
169.10100	15.1
171.08031	1.9
171.10179	2.0
171.11642	17.6
172.12437	1.3
173.04472	8.5
173.09618	3.4
173.11812	2.4
173.13197	14.2
175.11198	3.6
175.14836	4.4
177.12753	1.7
177.16385	1.4
178.07701	1.4
179.08543	3.3
179.14276	1.6
180.09282	1.6
181.08554	1.7
181.10072	9.6
182.10735	1.3
183.08145	1.5
183.11649	14.8
185.09622	2.7
185.13217	12.0
187.11156	2.3
187.14803	4.6
189.11203	4.5
189.12747	2.5
189.16367	1.4
191.08545	1.5
191.10345	1.2
193.10115	2.8
195.11676	8.8
195.13445	2.3
197.09647	2.2
197.13203	11.6
199.11252	2.4
199.13194	1.7
199.14714	6.6
201.12740	2.5
201.16472	2.3
203.14290	2.0
205.10172	1.3
205.55725	1.1
207.11650	4.3
207.13567	1.4
208.12439	1.2
209.09746	1.4
209.13361	7.9
211.14857	7.1
213.16371	3.2
217.15985	1.3
219.11835	1.2
221.13249	4.3
223.11241	1.3
223.14745	5.7
225.12762	2.1
225.16370	2.7
227.12645	7.3
227.17917	2.8
229.14316	3.5
231.21135	1.4
233.13312	1.9
235.14793	2.8
235.16872	1.4
237.16327	3.2
239.17966	2.4
241.19557	4.4
251.18001	2.2
253.19414	1.2
255.17462	1.5
255.21097	1.6
257.18982	6.1
259.20490	9.0
261.16327	1.3
261.22156	2.8
265.19489	2.0
267.15909	3.1
269.17487	3.3
273.18427	5.0
275.20044	17.1
283.20569	1.5
291.19592	3.9
293.17517	1.1
293.20898	1.4
295.20459	2.7
297.22250	2.3
299.19855	1.3
301.21658	1.7
311.23593	2.0
313.21609	2.6
315.23221	2.4
327.23212	1.3
331.22513	2.3
333.24228	7.1
335.25858	3.3
339.23068	1.9
349.24030	7.1
365.23776	1.7
365.28339	3.0
367.22290	2.2
377.28693	1.6
379.29913	2.0
383.29504	1.7
421.31107	2.5
435.32556	2.8
453.33612	1.5
495.34415	2.9
501.35544	2.0
513.35602	21.1
514.36340	1.7
515.38428	7.6
527.37457	9.1
533.39612	4.6
539.37262	1.8
541.36084	1.6
543.37079	3.5
545.38513	2.9
551.40540	3.6
555.36578	2.2
571.41388	1.4
589.42145	3.3
597.44666	2.6
607.43494	48.8
608.43542	4.3
625.44531	100.0
626.44836	7.7
635.39160	3.3
643.39514	1.1
649.44336	2.1
653.40057	3.9
671.41071	5.3
679.41040	1.3
689.42419	5.5
691.46094	1.3
709.45367	1.7
715.44891	2.4
733.46106	2.9
751.46899	4.5
769.48492	7.9
787.49878	11.7
788.47913	1.4
828.81177	1.4
949.55115	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	97.8
69.03412	6.5
69.07061	25.9
69.44485	15.5
71.04972	7.6
72.63497	1.4
73.02898	2.4
73.06525	2.7
78.28774	1.4
79.05479	100.0
80.05857	1.3
80.30373	1.3
81.03408	19.5
81.07042	92.3
83.04973	21.8
83.08605	21.9
84.00712	1.3
85.02887	9.7
85.06524	5.2
87.04479	1.3
91.03940	2.5
91.05465	82.7
92.05803	2.3
93.07028	94.5
95.04955	28.7
95.08591	43.7
97.02877	6.3
97.06516	18.2
97.10126	10.8
98.20641	3.2
99.08070	2.3
103.05490	3.1
105.04511	2.2
105.07014	62.6
106.66197	1.4
107.04935	17.0
107.08576	48.7
109.06511	14.5
109.10141	44.1
110.10437	1.6
111.08075	5.5
113.09618	1.5
115.05456	4.2
117.07004	20.5
119.08563	45.8
121.06488	5.6
121.10104	14.2
123.08062	8.3
123.11698	3.9
125.09608	5.4
127.03883	2.5
128.06190	3.7
129.06998	22.8
131.08556	13.6
133.06517	1.7
133.10107	29.0
135.08035	6.0
135.11662	8.0
137.09589	3.7
141.06966	2.4
143.08537	15.0
145.04971	1.9
145.10110	22.3
147.08018	4.0
147.11664	50.7
149.09613	8.8
149.13220	10.3
151.11140	3.1
155.08522	2.1
157.10144	3.4
159.08063	1.8
159.11674	11.3
161.09634	7.6
161.13223	13.2
163.03860	5.3
163.11166	8.0
165.09109	1.7
169.10181	2.8
171.11656	33.1
173.09572	2.3
173.11731	9.2
173.13155	3.1
175.07800	1.5
175.11168	1.6
177.12688	3.1
179.14301	2.1
183.11691	1.9
187.11121	1.8
189.11290	2.2
189.12735	11.6
193.12309	1.6
195.13782	3.2
199.14853	2.0
207.13765	28.0
211.13255	1.6
215.06918	1.6
227.12749	6.1
229.14319	18.9
247.20592	1.6
257.19040	7.0
259.09689	5.0
267.15863	2.8
269.17468	12.3
275.20023	28.5
281.17429	90.3
282.17789	2.5
283.15393	3.1
285.16931	2.4
291.19455	2.5
299.30115	1.4
301.16489	2.1
331.22623	2.6
349.23700	18.1
367.24768	5.5
373.19055	1.6
397.74750	1.4
435.27393	98.1
436.27686	3.2
451.26709	3.4
457.29593	3.1
475.30508	96.2
476.30835	4.9
499.30777	1.5
537.35767	6.4
555.36743	89.6
556.36877	3.4
573.37860	32.2
579.31567	6.6
591.35736	2.1
606.58405	1.6
619.34570	7.0
643.01764	1.8
705.83228	1.6
734.13123	1.6
960.59796	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	100.0
67.33102	1.6
69.03429	13.5
69.07057	49.4
69.07426	3.2
70.06590	1.6
71.01344	5.2
71.04973	10.6
71.70481	2.2
73.02908	5.8
76.79787	1.6
79.05483	77.0
80.10230	1.8
81.03407	67.5
81.07045	84.0
82.07358	2.8
83.04964	25.9
83.08610	35.0
85.02888	33.2
85.06522	6.9
87.04443	2.0
91.03941	7.5
91.05465	85.4
93.07029	67.4
95.04958	38.0
95.08589	59.2
97.02873	21.5
97.06521	26.5
97.10153	18.5
99.04456	4.5
99.08060	4.2
101.06000	1.7
103.05421	2.3
105.07011	63.4
107.04927	24.3
107.08573	41.4
109.02843	3.2
109.06489	12.1
109.10136	42.7
111.04436	5.4
111.08046	19.3
115.03987	2.4
115.05457	5.1
116.04775	2.3
117.06983	18.8
119.08558	51.3
121.06496	7.8
121.10120	25.5
123.04442	2.4
123.08060	10.6
123.11691	6.5
125.09606	15.0
127.03904	7.0
128.06137	2.9
129.05489	9.9
129.06990	17.5
129.87776	1.6
131.08545	34.1
133.06468	6.7
133.10109	45.1
135.07999	8.8
135.11642	13.4
137.05984	3.0
137.09616	15.7
139.07515	2.4
141.06995	2.6
142.07762	3.0
143.07069	1.6
143.08514	8.0
145.04958	3.3
145.06505	2.9
145.10092	24.3
147.08023	6.1
147.11650	23.6
149.09599	28.5
149.13264	8.0
151.03871	1.9
151.11180	5.1
153.09068	3.1
155.08557	3.2
155.10562	2.5
157.08765	3.1
157.10069	20.7
159.08026	2.3
159.11644	14.9
161.09627	6.7
161.13197	9.9
163.03903	5.4
163.05937	2.1
163.11137	15.8
165.12784	3.9
169.10066	4.2
171.10255	2.4
171.11700	6.7
173.11702	9.5
173.13251	7.4
175.11163	20.5
177.12769	4.6
178.71559	2.0
179.14284	4.6
181.10188	1.9
181.12169	2.6
183.11693	3.5
185.13301	4.7
187.11113	3.5
189.11203	7.1
189.12668	2.2
191.10622	2.7
193.12201	52.0
193.13995	2.5
199.13286	4.3
199.14951	2.7
201.12766	4.2
209.11696	4.5
211.11227	3.2
211.13254	64.7
214.94383	1.6
215.18033	2.0
220.08215	1.7
223.13144	2.5
225.11003	1.9
227.12697	19.8
227.14441	1.9
229.14285	14.0
239.17906	2.6
241.19534	3.0
249.14929	2.2
253.14473	2.0
253.17738	2.0
255.15872	5.1
257.19016	10.8
259.17206	1.7
259.18018	2.2
259.20535	15.2
267.15894	31.7
269.17410	7.1
273.18533	6.9
275.20023	44.8
276.20389	2.1
276.34009	1.9
283.15424	11.6
285.16919	38.5
291.19531	7.6
292.96719	2.1
293.21017	3.6
299.14880	12.6
300.78040	1.8
301.16364	19.6
313.21448	2.3
333.24261	7.6
347.22098	2.8
349.23663	54.1
349.27994	2.8
365.23199	7.1
381.22632	5.0
421.25821	8.0
423.27356	2.5
439.26862	26.5
453.28702	2.1
461.28717	2.9
463.30914	3.3
465.29019	2.9
477.28238	7.1
479.29974	3.5
495.29507	7.5
539.33673	3.1
541.35321	15.9
542.35516	1.9
557.34863	13.3
558.35382	2.0
559.36176	46.0
575.35724	29.7
577.37201	5.0
593.36646	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	952.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	23.2
68.16249	0.7
69.03419	3.6
69.07055	7.8
70.06425	2.9
70.06853	1.9
71.01308	0.8
71.04989	4.0
73.02877	1.4
79.05019	1.6
79.05480	29.0
81.03407	23.1
81.07044	25.3
83.04978	3.9
83.08603	11.2
85.02881	4.8
85.06538	1.5
85.42426	0.7
87.04482	0.9
91.03934	2.8
91.05463	26.3
92.05737	0.8
93.07027	27.8
95.04960	12.8
95.08588	16.6
97.02868	2.9
97.06525	3.5
97.10175	7.5
98.21407	1.1
99.08079	2.3
103.05464	1.3
104.14494	0.7
105.04554	0.7
105.07021	25.8
107.04944	3.5
107.08579	15.0
109.06510	2.7
109.10123	9.6
111.04438	1.2
111.08058	3.4
115.05447	1.1
117.07002	12.0
119.08562	20.9
121.06487	3.3
121.10136	10.4
123.04442	2.0
123.08051	3.7
123.11700	2.2
125.09640	5.0
128.06204	2.3
129.06984	9.8
130.07756	1.2
131.08542	16.0
133.06512	2.0
133.10101	14.1
135.08040	3.6
135.11658	7.5
137.09590	1.0
139.11201	1.0
141.06993	2.8
142.07771	2.0
143.08543	7.1
145.04901	1.2
145.06462	1.4
145.10086	11.1
147.04375	0.9
147.08023	2.8
147.11656	13.3
149.09596	3.7
149.13208	4.1
151.11182	1.0
153.09151	1.0
155.08527	3.2
155.10526	0.9
157.10080	7.8
157.74184	0.8
159.08003	1.1
159.11676	8.6
161.09662	1.5
161.13210	5.7
163.03935	1.7
163.06027	1.8
163.11160	2.3
165.12721	0.9
167.08488	1.7
169.10130	5.7
171.08038	1.0
171.11674	7.5
173.09613	1.0
173.11929	1.2
173.13210	5.7
175.11169	3.3
175.14807	3.0
177.12724	0.9
178.36852	0.7
179.14339	1.0
179.79845	0.7
181.10123	3.2
183.08041	0.9
183.10176	0.9
183.11612	4.9
185.09518	0.8
185.13257	5.9
187.11162	1.8
187.14857	2.1
189.11160	2.9
189.12685	1.7
193.10609	1.1
193.12186	5.2
195.11691	2.6
197.09447	1.0
197.13261	2.7
199.14832	2.8
201.12711	1.0
205.15898	0.9
207.11714	0.8
209.13206	3.1
211.14868	1.2
213.12842	1.1
214.18217	0.9
215.14389	1.0
217.15886	1.7
223.14835	1.2
225.16441	1.1
227.12712	4.5
234.99837	0.8
235.16953	0.9
237.16307	1.2
241.19510	4.9
243.15811	1.1
259.20563	14.4
267.15820	12.5
273.18576	1.4
275.20093	1.4
283.15402	1.6
299.20557	1.3
299.23615	5.3
313.21555	1.0
315.19693	0.9
315.23090	1.3
325.21664	1.0
333.24213	7.0
337.78497	0.9
389.23096	1.1
403.24860	1.3
403.35138	0.9
407.24399	2.0
415.29733	2.7
417.26447	1.0
421.25803	9.3
433.30957	7.5
435.27356	6.9
447.27283	1.6
449.28790	1.1
451.31995	8.4
463.30463	0.9
465.33414	0.8
469.33209	4.0
469.38870	0.9
489.33759	1.0
499.34604	1.4
507.34518	3.5
517.35565	1.3
525.35693	39.7
526.36121	1.3
543.36737	100.0
544.37433	3.7
555.36560	1.1
557.38318	8.9
567.36823	1.5
575.39490	12.3
585.37531	1.0
609.38031	1.1
627.38623	1.0
633.37372	3.4
651.38806	2.6
669.39349	3.2
687.40735	2.6
705.41296	2.7
952.46954	1.3
953.45306	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.613
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	60.1
69.03407	2.1
69.07054	16.6
71.04971	2.3
71.08616	1.2
71.71790	1.2
73.02898	4.6
79.05476	39.6
81.07040	66.1
83.04951	1.5
83.08602	9.6
85.02885	16.7
85.06501	1.1
91.03940	12.6
91.05460	25.1
93.06425	1.9
93.07021	44.0
95.04972	4.7
95.08586	48.3
96.04431	1.0
96.08912	0.9
97.02868	8.4
97.06516	2.5
97.10133	3.6
99.08055	0.8
105.07000	20.4
107.08570	26.8
109.02928	1.0
109.06506	2.1
109.10136	23.8
111.08044	2.6
115.03891	0.8
115.05377	1.0
117.06998	7.4
119.08566	18.5
121.10114	23.1
123.08018	1.6
123.11681	8.4
125.09605	1.5
126.47382	0.9
127.03875	4.1
129.06973	1.3
131.08543	14.4
133.10103	16.9
135.11668	18.8
136.19775	1.2
137.09546	1.1
137.13214	2.2
139.11198	1.0
143.08578	2.6
145.04910	6.3
145.10103	10.1
147.11658	12.2
149.09599	1.1
149.13231	10.7
157.10088	2.0
159.11661	11.0
161.13232	12.0
163.05937	6.4
163.11060	1.6
163.14789	4.8
169.10016	1.1
171.11661	4.0
173.13234	8.7
175.14784	3.9
177.16403	2.1
185.13210	2.2
186.98911	1.0
187.14769	4.5
189.16319	1.9
199.14812	1.9
201.16339	2.5
219.17439	1.0
233.18797	1.0
236.25356	0.9
241.19649	4.4
243.21004	4.8
259.20557	9.6
261.22104	21.4
263.23581	2.1
299.23587	1.2
311.23462	0.9
315.23242	2.5
317.24631	3.4
333.24197	8.9
335.25732	100.0
336.26175	2.4
337.27277	12.7
462.73160	1.1
521.43298	2.7
528.83716	0.9
539.44482	1.5
595.38177	1.5
595.47058	19.4
596.46960	1.0
613.38599	1.4
613.48175	21.6
614.48163	1.1
665.52478	1.1
690.04755	1.0
754.40137	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.603
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04814	2.5
67.05191	4.0
67.05500	11.5
69.03426	3.1
69.07060	13.4
69.50458	7.3
69.50867	1.6
71.08627	9.8
79.05481	8.8
81.03410	3.0
81.07030	9.9
83.08614	8.9
85.02887	2.8
85.10172	5.8
88.25855	1.1
91.03941	1.4
91.05460	5.0
93.07027	7.3
95.04952	2.7
95.08600	11.4
97.02879	7.4
97.06559	2.0
97.10153	7.6
103.07606	1.4
105.07035	4.5
107.04912	1.8
107.08603	6.3
109.10139	8.2
117.06980	1.7
119.08582	5.9
119.83853	1.1
121.06480	1.9
121.10105	2.6
123.08047	1.8
123.11709	2.8
125.09612	6.8
127.03885	2.3
129.06993	2.1
131.08571	4.0
133.10083	2.5
135.08067	1.1
135.11665	2.4
137.09647	1.3
145.10165	1.4
147.08041	2.5
147.11626	1.2
147.38196	1.1
157.10193	1.5
159.11794	1.1
163.11227	1.7
175.11188	1.6
177.12793	1.8
189.11256	3.1
204.11673	1.3
205.12230	2.7
207.18700	1.3
223.13254	15.0
227.12787	3.8
227.20203	1.7
239.23877	1.4
245.19086	1.1
249.14677	1.3
259.73892	1.3
267.15878	1.4
273.18481	12.3
287.11185	1.2
291.19498	80.7
292.19928	1.4
313.27325	67.3
347.22055	3.2
365.23184	61.6
505.38492	1.5
523.40070	5.4
585.44849	2.0
603.46143	100.0
604.46228	4.3
629.41711	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6196
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	34.4
69.03419	5.3
69.07065	15.1
69.38873	9.4
71.04977	2.4
71.08622	19.8
73.02908	2.3
76.54523	0.8
79.05482	23.8
81.03396	4.2
81.07043	42.5
83.04979	6.1
83.08607	15.9
85.02889	8.3
85.06543	2.9
85.10169	14.1
89.06000	0.9
91.03944	4.6
91.05461	17.8
93.07033	27.0
95.04958	4.5
95.07995	1.7
95.08595	27.6
97.02877	6.4
97.06507	8.0
97.07042	1.1
97.10149	8.9
99.04462	1.6
99.08073	1.7
103.07607	0.8
105.07008	15.2
107.04956	3.4
107.08575	20.2
109.02863	1.2
109.06503	3.2
109.10146	14.2
111.04460	1.0
111.08078	3.5
115.05432	0.9
117.06995	9.0
119.08562	14.2
121.06566	2.2
121.10126	9.9
123.08058	2.3
123.11694	5.6
125.09612	3.9
126.22074	0.8
126.59420	0.8
127.03896	4.4
127.59401	1.1
129.05469	2.0
129.06984	4.1
131.08551	12.0
133.06487	1.3
133.10112	13.8
135.08035	3.6
135.11674	10.2
137.09592	1.4
137.13232	1.8
139.11215	0.9
143.08559	2.1
145.04953	2.6
145.10092	11.2
147.08032	1.2
147.11636	6.3
149.09564	5.5
149.13235	7.2
151.11122	1.6
155.08522	1.5
157.10091	3.2
159.11682	9.4
161.13225	1.6
163.06097	1.6
163.11166	3.5
165.12750	1.6
169.10135	1.4
171.11647	2.1
173.04570	1.2
173.13205	4.2
175.11121	1.1
177.12775	3.0
181.12289	2.1
183.11794	1.6
185.13217	1.4
189.11209	2.1
195.13763	4.1
199.14853	1.3
204.07018	0.8
217.15860	3.9
219.17496	0.9
227.12738	7.9
229.19566	1.5
235.16974	1.1
236.32513	1.2
239.17938	3.0
239.23668	2.7
243.12428	1.1
247.20430	2.3
255.15889	16.5
257.18939	10.1
257.24609	1.1
267.15887	2.3
269.17453	36.6
275.20020	31.0
291.19629	2.2
293.17697	0.9
293.21176	5.1
309.20392	2.0
313.27322	100.0
314.27628	1.8
331.22656	3.2
349.23676	33.6
367.24933	4.4
467.37735	1.2
483.36633	1.3
493.28024	1.0
493.38834	20.3
507.40414	63.2
523.39856	1.4
547.43658	5.2
587.46631	44.7
588.47150	1.3
598.62781	0.9
605.47668	12.0
651.44507	1.1
667.41882	1.0
731.50281	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6188
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	38.0
67.05836	1.6
69.03421	6.2
69.07059	19.2
71.04977	3.1
71.08620	22.9
71.62508	1.3
73.02884	1.9
79.05482	24.4
80.36169	0.6
81.03415	8.5
81.07043	53.8
83.04967	6.4
83.08610	15.1
85.02885	11.3
85.06483	2.6
85.09690	0.7
85.10165	12.7
85.10653	0.6
89.05993	1.2
91.03941	4.8
91.05464	22.3
93.07032	31.6
95.04942	6.5
95.08595	33.9
95.31151	0.7
97.02874	8.0
97.06514	9.1
97.10163	6.9
99.04397	1.7
99.08049	2.5
103.05471	1.0
103.07508	0.6
105.06348	0.9
105.07014	17.0
107.04952	5.1
107.08575	18.3
109.02830	2.1
109.06499	3.5
109.10140	14.8
111.04417	1.5
111.08038	3.8
111.11668	1.1
113.09579	1.0
114.91843	0.6
115.05429	0.9
117.06995	8.3
119.04856	0.7
119.08579	13.2
121.06487	3.1
121.09367	0.8
121.10128	9.9
123.04408	1.0
123.08014	2.7
123.11696	5.1
125.09601	1.7
127.03902	3.9
128.06232	0.8
129.05426	1.6
129.06963	4.2
131.08536	11.1
133.06410	1.0
133.09183	1.0
133.10114	13.8
135.08011	2.9
135.11667	11.1
137.09557	2.1
137.13200	1.4
140.73979	0.6
141.06935	0.9
143.08496	2.8
145.04898	2.7
145.06378	0.8
145.10107	9.1
146.40236	0.6
147.08028	1.1
147.11659	6.6
149.09595	6.6
149.12117	0.7
149.13228	8.7
151.11145	1.4
155.08542	1.7
157.10088	2.1
159.08008	0.8
159.11685	9.4
161.09581	1.3
161.13242	2.1
163.05971	1.9
163.11192	5.0
165.12747	1.1
169.10120	1.7
171.10262	0.7
171.11661	1.7
173.04402	2.6
173.09560	0.8
173.13210	3.1
175.11108	1.9
177.12689	2.9
181.12090	1.0
183.11606	1.5
185.13188	1.5
187.14806	0.9
189.11131	0.9
195.13760	4.7
197.13196	1.2
199.14758	1.2
213.14668	0.8
217.15828	2.1
219.13776	0.9
227.12749	3.5
229.14343	1.1
239.17863	2.4
239.23619	2.8
247.20609	2.1
251.16412	0.8
255.15883	14.5
257.18991	8.8
257.24625	1.7
261.14828	0.9
267.15933	1.9
269.17438	40.2
275.20013	24.4
291.19479	0.9
293.17798	1.1
293.21045	3.1
309.20578	1.1
311.25916	0.9
313.27322	94.4
314.27676	2.2
321.16995	0.7
321.24246	1.0
331.22543	2.5
339.18201	1.0
341.26855	0.8
349.23676	27.1
367.24731	3.9
383.22147	0.8
395.08401	0.7
409.33331	0.9
413.21643	3.5
467.37119	1.7
483.36734	1.1
493.38806	22.9
507.40399	100.0
508.40845	3.5
511.29349	1.2
523.39990	1.0
547.43646	3.4
559.47540	0.9
561.41504	1.2
569.46338	0.8
587.46649	39.0
588.46545	1.1
598.89008	0.9
605.47583	13.1
611.40942	1.5
627.41553	0.9
629.47852	1.0
651.44348	2.7
731.50775	0.9
749.51709	3.3
915.51263	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	1.5
70.26341	1.6
78.87319	0.4
79.05381	1.1
79.05817	0.4
80.04938	0.6
81.03323	1.1
81.05709	0.4
82.06491	0.5
85.02877	2.8
89.03838	0.5
91.05375	1.0
92.04925	0.7
93.05702	0.8
93.06930	1.6
94.06552	5.1
95.04886	0.5
95.07254	1.1
96.08116	4.5
97.02779	1.7
97.06437	0.5
105.06909	0.4
106.06442	1.1
107.07246	0.8
108.04466	2.5
108.08102	8.0
110.09665	6.6
116.04884	1.2
118.06465	0.7
120.04450	3.2
120.08087	5.5
122.06014	4.7
122.09552	0.9
124.07580	4.7
127.03820	0.7
132.04390	0.4
132.07973	0.4
134.06006	2.7
136.07562	9.4
138.09123	9.4
144.04411	3.8
146.05992	5.3
147.04237	0.5
148.07556	3.7
150.05373	0.4
150.08986	1.2
152.06931	1.6
158.05830	0.4
158.09503	0.4
160.03925	3.4
160.07472	0.5
162.05507	3.2
163.03818	0.9
164.06964	1.6
166.08611	14.9
167.07170	0.5
167.08821	0.5
170.09555	0.5
172.03918	21.5
172.07376	0.8
172.38220	0.4
173.04245	0.5
174.05524	2.5
174.09055	0.5
176.07037	3.5
177.05415	0.5
178.04817	0.8
180.08008	0.4
182.08186	0.5
182.09596	0.6
183.09009	0.8
184.09795	0.9
186.05415	0.9
187.08559	0.6
188.06985	0.6
190.04968	17.7
192.06461	0.6
195.09027	0.5
196.09790	0.7
197.10690	2.0
198.09048	0.5
198.11443	0.4
199.08473	0.8
199.12273	1.8
201.10100	0.4
204.06540	37.7
205.06836	0.9
208.09804	0.4
209.10620	1.7
210.09039	1.8
210.11270	0.9
211.08604	2.7
211.11971	0.7
212.09219	1.8
213.10075	1.3
214.10802	0.5
215.11632	0.5
223.08516	1.3
223.12169	1.3
224.09291	1.4
225.10197	9.6
226.10751	1.3
227.11768	14.3
229.13281	0.5
235.08543	0.6
236.09241	1.7
237.10193	3.0
238.07170	0.6
238.10966	1.9
239.11780	4.5
240.12233	0.5
241.09760	1.8
241.13179	1.3
243.11171	0.7
245.12726	1.1
249.10164	1.9
250.10870	0.8
251.08078	1.0
251.11671	2.7
252.08806	0.8
253.09695	5.7
253.13225	1.0
255.11314	2.0
257.12769	0.7
261.10083	0.8
263.08047	1.3
263.11603	0.4
264.08884	3.5
265.09753	2.8
266.10318	1.3
267.11310	3.1
269.12817	15.9
270.09827	0.7
271.07980	0.6
271.10721	7.9
272.10947	0.4
273.12320	2.9
277.09729	2.5
278.10397	1.0
279.11191	4.3
280.11823	0.8
281.12695	1.1
283.10715	6.7
284.11487	4.8
285.12231	6.3
286.12982	1.7
287.10852	0.7
287.13879	13.6
288.14319	0.6
289.13116	0.7
291.11163	0.8
293.09113	0.7
294.09698	0.6
295.10742	1.9
296.11307	0.8
297.12317	9.9
298.13092	0.4
299.13971	4.5
300.11230	0.9
300.14838	0.5
302.12878	0.6
303.13464	0.6
305.08984	0.6
307.10767	2.2
309.12167	1.4
311.10449	0.6
311.14084	1.1
312.14914	1.3
313.12628	1.6
314.12775	1.7
315.13614	1.5
316.10800	1.7
316.14316	2.4
317.14993	0.8
318.15976	0.5
319.10672	0.5
321.08554	1.0
321.12332	1.0
323.10202	6.6
324.10873	0.7
325.11780	18.6
325.15256	0.7
326.12695	0.5
326.16400	1.5
327.13345	3.1
327.17084	1.0
328.10629	2.8
328.14099	3.2
329.11609	0.9
329.15054	2.2
330.12149	1.1
330.15887	2.5
331.13184	0.6
331.16663	1.5
332.10123	0.4
334.08939	0.7
337.11758	0.6
339.13309	1.7
340.14703	0.8
341.11432	2.0
342.12256	6.6
342.16022	1.8
343.13019	7.1
343.16574	0.6
344.13583	1.3
344.17532	0.8
352.14365	1.3
353.12228	0.6
354.12222	0.6
354.16116	0.9
355.13281	1.6
356.13898	6.4
356.17789	0.8
357.14438	20.3
358.15353	5.4
359.16174	0.5
360.17017	0.6
365.11240	1.1
366.15976	0.7
367.13287	0.9
369.11105	1.2
369.15155	0.8
370.11664	0.8
370.15585	5.6
371.15942	1.4
372.12891	0.7
372.17093	1.5
374.18573	0.6
378.18054	1.7
380.13696	1.2
382.11716	3.7
383.12369	3.3
384.13211	4.9
384.17303	0.7
385.14090	2.5
386.14255	2.6
386.19214	2.8
387.15591	0.9
388.16364	1.2
390.17972	3.8
394.15463	1.3
396.17209	0.7
397.14920	1.4
398.09631	0.9
398.14948	23.4
399.15741	32.1
400.16367	4.7
401.13647	0.8
402.18423	1.8
404.16031	6.4
405.16040	0.6
412.16571	2.9
413.16916	1.1
414.18109	4.4
416.15985	16.5
417.16281	1.6
418.17404	0.7
422.17230	2.4
428.15875	3.8
429.16513	0.6
430.17609	4.5
431.18106	1.0
440.16022	8.1
441.16180	0.9
446.17023	8.0
447.17392	1.2
448.18655	0.8
458.17053	27.4
459.17484	2.0
460.18494	0.5
469.16183	0.5
472.18399	0.8
478.19696	2.4
487.17090	8.1
488.17209	0.8
490.19684	11.0
519.19574	2.0
523.23389	1.2
539.26300	0.5
541.24304	1.2
551.22913	1.2
560.20197	0.6
565.24445	1.0
567.26001	1.8
569.23816	4.2
570.24066	0.5
575.22247	0.6
583.25446	1.4
592.22986	0.5
593.23926	4.8
602.21173	1.7
608.22400	1.1
610.24377	0.6
611.24921	100.0
612.25348	6.1
620.22253	4.4
625.26849	0.8
643.27557	32.8
644.27667	2.3
652.24945	0.7
653.25995	0.7
719.27112	0.4
727.29364	0.9
729.31287	1.0
731.29675	0.5
737.27942	1.9
745.30499	1.3
755.29144	6.2
773.30157	50.0
774.30750	3.7
787.32117	0.8
805.32678	8.8
805.46667	0.6
806.32587	0.5
843.34802	0.4
899.33405	0.5
917.34259	1.2
935.34650	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	2.1
79.05502	1.2
81.03418	1.3
81.05799	0.6
81.07045	1.0
82.06561	0.7
84.33775	0.4
85.02886	3.4
89.03910	0.6
91.05458	1.2
92.04960	0.6
93.03334	0.4
93.05773	0.7
93.07027	2.3
94.06552	4.6
95.04965	0.6
95.07345	1.9
96.08105	5.1
97.02872	1.4
97.06506	0.6
98.21453	1.6
106.06552	0.8
108.04436	2.5
108.08102	7.5
109.02846	0.6
110.09651	6.6
116.04968	1.6
120.04439	4.1
120.08089	5.1
122.06015	5.1
122.09664	0.9
124.07571	4.8
134.05983	3.0
136.07535	7.9
138.05525	0.6
138.09106	10.1
144.04416	4.0
145.02814	0.5
146.05969	5.6
147.04346	0.8
148.07547	3.5
150.09126	1.3
152.07053	2.0
158.06023	0.7
158.09619	0.7
160.03882	3.6
160.07561	0.6
162.05490	3.8
163.03906	1.8
164.07042	1.3
166.08620	13.1
169.07593	0.5
172.02432	1.0
172.03911	19.8
172.07576	1.1
173.04466	0.6
174.05487	2.3
176.07001	4.0
178.05046	1.2
182.08273	0.7
182.09689	1.0
184.09933	1.1
185.10780	0.4
186.09169	0.9
187.08650	0.7
190.04968	14.9
190.06685	0.9
192.06638	0.6
195.09222	0.5
196.09866	0.5
197.10767	1.6
198.11601	0.6
199.12294	1.8
204.06528	33.8
205.06825	1.1
209.10693	1.5
210.09128	1.7
210.11453	0.6
211.08653	2.4
211.12248	1.0
212.09343	2.6
213.10184	1.2
223.08546	0.7
223.12346	1.3
224.09366	1.0
225.10191	8.9
226.10786	0.8
227.08344	0.6
227.11732	14.6
235.08473	0.5
236.09380	2.0
237.10172	3.6
238.08916	0.5
238.11034	1.7
239.11746	3.3
239.32976	0.5
240.12492	0.6
240.74142	0.4
241.09720	1.5
241.13397	1.4
243.11243	0.8
245.12862	1.0
249.10254	2.0
250.11029	0.5
251.08102	1.2
251.11789	3.2
252.08792	0.8
253.09663	5.1
253.13446	0.9
255.11186	2.4
257.12811	0.5
261.10156	0.7
262.08597	0.5
262.11060	0.5
262.41370	0.5
263.08191	1.3
263.11816	1.1
264.08902	2.5
265.09714	2.5
265.13531	0.5
266.10385	1.0
267.11267	3.0
269.12808	14.7
270.09875	0.4
270.13153	0.9
271.10736	8.5
271.13910	0.9
273.12296	2.9
277.09680	2.3
278.10345	1.1
279.11215	5.5
281.09256	0.7
281.12836	1.1
283.10669	4.9
284.11481	4.5
285.12329	4.4
286.13159	1.2
287.13837	13.8
291.11298	1.1
293.09113	0.5
294.09946	1.1
295.10770	2.0
296.11407	0.8
297.12320	9.4
299.11523	0.4
299.13971	4.3
301.12219	0.6
302.13007	1.0
305.09109	0.8
307.10641	2.8
309.12222	0.8
311.10248	0.9
311.14114	0.8
312.15079	1.9
313.12436	1.5
314.12848	2.0
315.13605	1.7
316.11008	0.7
316.14490	1.9
319.10574	0.5
321.12253	0.6
323.10226	6.2
325.11801	17.2
325.15723	0.9
326.12881	0.7
326.16510	1.5
327.13574	3.0
327.17261	1.5
328.10794	3.0
328.14523	2.3
329.11685	1.1
329.15292	1.9
330.12418	1.3
330.16000	2.1
331.16788	1.4
332.17471	0.7
334.09238	0.6
337.11804	1.0
338.12805	0.7
339.13507	1.7
340.10983	0.7
340.14740	1.1
341.11871	1.5
342.12448	6.4
342.16071	1.5
343.12958	7.3
343.16827	0.5
344.13901	1.1
344.17566	1.0
352.14462	1.3
353.12524	0.9
354.12524	1.2
354.16208	1.2
355.13361	1.8
355.17114	0.6
356.13834	5.7
356.17722	0.6
357.14423	22.1
358.15262	5.8
359.16006	0.8
365.11398	1.1
366.16071	0.9
367.13098	1.1
368.13742	0.6
368.17737	0.9
369.10880	0.7
369.15125	1.2
370.11594	0.9
370.15549	5.0
371.16010	1.4
372.17084	1.6
376.16696	0.5
378.18018	1.5
380.13943	1.2
381.14221	0.7
382.11731	4.1
383.12357	3.1
384.13123	5.2
384.16711	0.8
385.13913	1.6
386.14313	2.6
386.19235	2.6
387.15594	0.6
388.16653	0.6
390.18021	3.4
394.15668	1.1
396.17380	0.6
397.14728	1.1
398.09644	0.7
398.14902	18.1
399.15698	29.5
400.16284	3.6
402.18222	1.3
404.15903	5.7
405.16293	0.6
412.16623	1.7
414.18051	3.3
415.15659	0.5
416.15961	14.9
417.16464	1.3
422.16660	2.0
428.15839	3.8
430.17468	3.2
431.18094	0.7
440.15964	6.9
441.16034	0.8
446.17050	7.7
447.17761	0.9
448.18222	0.6
454.17999	0.6
458.17014	25.2
459.17432	2.6
460.18866	0.6
472.18726	1.0
478.19724	2.2
487.17001	9.2
488.17627	0.8
490.19690	10.9
491.19934	0.9
519.19562	1.8
520.20636	1.0
521.20898	0.5
522.22070	2.3
523.23157	1.1
539.25873	0.7
541.24390	1.3
551.23108	0.9
552.23346	0.6
560.20398	0.6
565.24707	1.0
567.26398	1.0
569.23926	4.4
570.24628	0.7
575.23267	0.7
583.25397	1.1
593.23700	4.2
602.21729	2.1
608.22217	1.5
611.24896	100.0
612.25055	8.0
620.22412	3.9
626.24872	0.8
637.99835	0.5
643.27551	27.6
644.27716	1.8
727.29156	0.9
729.31885	0.6
731.29266	0.7
737.27771	1.3
745.30798	1.6
755.29028	6.5
756.28778	0.7
773.30084	44.0
774.30634	4.4
787.31561	1.1
788.29956	0.5
805.32751	7.5
806.33185	1.0
917.34393	0.8
935.35370	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.629
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	2.3
69.07053	14.4
69.90945	5.2
71.04987	2.1
71.08616	20.7
73.02882	1.6
79.05474	17.2
81.03399	3.3
81.07038	40.6
83.04969	2.7
83.08608	16.2
85.02867	5.5
85.06525	2.2
85.10166	13.5
89.06007	1.5
91.03936	4.0
91.05464	16.3
92.83795	0.9
93.06435	1.2
93.07024	19.2
95.04947	4.2
95.08581	30.0
97.02886	2.8
97.06509	5.3
97.10146	9.6
99.04437	1.8
99.08079	1.0
99.11698	1.2
103.05398	0.9
103.07553	1.7
105.07007	12.5
107.04952	3.4
107.08570	16.6
109.06508	3.7
109.10133	39.8
110.10423	1.0
111.08064	2.9
111.11715	0.9
117.06989	5.7
119.08546	12.5
121.06521	1.6
121.10098	6.6
123.08002	1.3
123.11690	5.6
125.09614	5.0
127.03908	2.3
129.06941	1.1
131.08530	8.6
133.10110	9.6
135.08037	3.3
135.11659	4.3
137.09592	3.4
137.13205	1.9
143.08559	1.2
145.04893	1.4
145.10095	8.0
147.11630	6.3
149.09569	5.3
149.13245	6.6
155.10641	1.9
157.10162	2.2
159.11674	7.2
160.17268	1.1
161.13254	2.2
163.05988	2.1
163.11182	2.8
168.15645	1.0
171.11665	2.0
173.09477	1.0
173.11707	10.9
173.13229	3.6
177.12724	2.1
179.14211	1.1
183.11688	1.2
187.11140	1.1
195.13783	1.6
197.13226	1.2
227.12697	9.3
229.14302	51.5
229.19359	1.7
230.14856	1.2
238.10997	1.1
239.17952	1.6
239.23689	3.1
247.20618	1.2
257.18921	5.7
257.24646	2.6
269.17435	15.3
275.20007	23.4
293.21063	3.4
313.27304	100.0
314.27716	2.1
331.22577	2.1
349.23657	22.7
350.24054	1.0
367.24716	15.2
373.18625	1.4
376.68195	1.1
413.21201	1.5
467.37241	38.4
468.37778	2.0
507.40366	53.1
508.40579	1.5
566.89221	1.1
569.45807	1.3
587.46588	42.6
605.47644	26.9
606.48083	2.3
988.33069	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5874
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	1.4
69.06686	1.4
69.07055	19.2
71.04974	2.0
71.71800	1.0
71.72147	1.0
77.03888	1.3
79.05480	30.0
80.95860	0.9
81.03387	4.9
81.07044	36.3
83.04967	4.9
83.08602	5.7
85.02889	1.2
85.06516	1.5
91.05463	49.7
93.07030	29.8
95.01299	4.9
95.04964	8.3
95.08592	25.7
97.02844	1.0
97.06522	11.7
97.10142	2.0
103.05431	1.4
105.04511	1.3
105.07014	63.4
106.07317	0.8
107.04935	10.8
107.08575	18.1
107.09247	1.6
109.06488	2.7
109.10131	8.8
111.04418	1.0
111.08067	1.8
115.05427	1.0
117.07007	13.4
119.08563	38.6
121.06485	1.9
121.10134	8.1
123.04346	1.2
123.08050	2.6
128.06174	2.2
129.07011	5.7
130.07703	1.1
131.08551	19.6
133.06500	1.0
133.10104	38.3
135.08018	1.9
135.11690	7.8
137.09610	1.6
138.19072	1.0
141.06953	2.2
143.08556	5.1
145.10106	15.6
147.08037	1.0
147.11678	21.7
149.09604	4.3
149.13225	4.9
151.11221	1.1
155.08510	1.7
157.10098	5.5
159.11671	14.2
161.13242	12.4
163.11160	2.6
163.14745	1.6
165.09088	1.8
165.12718	1.4
169.10126	1.5
171.11679	5.3
173.13257	5.4
175.11220	1.2
175.14821	4.3
177.12694	3.5
179.14296	9.4
183.11636	2.1
185.13225	3.3
187.11217	1.8
187.14827	2.4
189.12813	1.1
197.13217	1.4
199.14775	1.4
211.14792	1.5
213.16322	1.1
217.19455	1.5
231.21120	2.1
239.18042	1.9
241.19472	15.1
257.18988	6.0
259.20551	20.3
275.20023	45.3
276.20331	1.1
277.21555	1.4
291.19586	1.1
293.20950	2.1
314.97604	1.1
315.23148	8.4
331.22726	1.1
333.24188	49.0
349.23682	41.7
351.25034	2.2
511.37744	1.8
513.35626	3.4
527.37445	1.2
533.39758	1.6
551.40717	1.4
607.43500	100.0
608.43671	5.3
618.93463	1.1
625.44434	15.4
674.62183	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6034
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	2.3
69.07056	11.5
71.04984	2.2
73.02913	2.9
73.25775	0.6
76.94907	0.7
77.03918	1.0
79.05481	32.0
81.03414	2.1
81.07046	29.3
81.07540	0.9
83.04971	2.2
83.08610	6.7
85.02894	8.1
85.06527	1.4
91.03957	5.3
91.05467	35.3
93.07031	30.6
95.04958	5.0
95.08591	26.8
97.02870	5.3
97.06514	1.7
97.10165	3.2
98.20652	1.5
99.04424	1.0
103.05464	2.1
105.04574	0.7
105.07018	32.7
107.04938	1.4
107.08576	18.0
109.06515	2.2
109.10143	8.9
111.08075	2.0
115.05457	2.2
116.06231	0.7
117.06171	0.9
117.07005	19.4
119.08564	26.2
119.09410	1.4
121.06497	1.3
121.10124	13.4
123.08060	1.3
123.11733	2.5
125.09625	1.1
127.03934	1.3
128.06180	3.3
129.06982	12.7
130.07768	2.0
131.08554	18.5
133.10115	18.2
135.08028	1.4
135.11668	8.2
141.06967	5.0
142.07787	2.8
143.08542	12.1
145.04961	2.5
145.10112	18.8
147.11667	11.7
147.12726	1.1
149.09660	1.6
149.13246	3.7
151.11182	0.7
153.06990	1.4
154.07756	1.0
155.08556	9.8
156.09282	0.9
157.10095	12.3
159.07979	0.8
159.11670	13.8
161.13235	6.5
163.06033	3.2
163.14825	1.8
167.08574	3.7
168.09322	1.4
169.10109	9.6
170.10724	0.8
171.11673	11.5
172.12469	0.7
173.13231	8.4
175.14828	3.3
177.16325	1.2
179.08632	1.3
181.10091	5.8
182.10915	1.0
183.11676	10.4
185.13208	7.5
187.14771	4.5
189.16444	2.0
191.08702	0.8
193.10121	2.6
195.11699	6.7
197.13235	6.8
199.11246	1.2
199.13232	1.3
199.14827	5.8
201.16364	1.0
203.17944	0.7
207.11708	2.0
209.13182	6.2
210.14198	0.8
211.11395	0.7
211.14790	6.1
213.16418	3.0
215.17897	1.2
221.13225	2.3
223.14711	4.1
225.16483	3.7
227.17899	2.2
229.19579	1.1
235.14827	1.3
237.16414	2.9
239.18002	3.1
241.19562	2.4
243.17506	1.0
249.16451	1.5
251.17981	1.1
253.19473	0.9
255.17430	1.1
257.19025	3.0
259.20486	3.3
261.22089	1.1
263.17908	1.3
265.19446	1.1
267.21124	1.0
271.20532	0.7
279.21133	0.8
297.21930	0.8
297.77927	0.7
301.21860	0.8
307.20398	0.9
311.23767	1.3
313.21756	1.4
321.22104	1.2
323.23804	1.9
327.23227	1.1
331.22552	0.8
333.24112	4.1
335.25751	2.2
337.21548	1.0
337.25363	1.6
339.23148	0.9
351.26874	2.0
353.24500	1.0
363.26660	0.8
365.24478	0.9
365.28574	1.4
367.26572	0.9
379.30008	1.5
395.29434	1.4
407.29044	0.8
409.30975	1.3
411.28586	0.7
421.30585	0.8
429.31476	0.8
433.30682	1.4
447.32367	1.3
461.33865	0.9
485.33450	0.9
487.34311	1.4
499.39703	1.2
501.35788	2.6
513.35883	1.4
515.37939	1.4
517.40338	9.7
521.36267	1.0
525.35840	0.9
527.37720	1.5
535.41705	4.5
539.37366	2.3
540.38782	1.0
543.82745	0.9
567.40173	0.9
573.43109	1.3
591.44019	9.1
607.43372	1.8
609.45056	100.0
610.45349	4.8
621.44989	1.3
633.45441	1.3
693.46924	1.2
717.46674	1.5
735.48505	1.6
753.49249	1.8
771.50250	7.4
966.45868	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03037	0.7
69.03416	14.6
69.07053	0.5
71.01344	0.3
71.04976	1.6
73.02897	0.6
75.04468	2.3
77.03907	0.8
79.05479	23.8
80.05803	0.3
81.03402	14.6
81.07040	4.6
83.04949	1.5
85.02888	13.0
85.29430	0.3
87.04449	3.7
91.05460	18.3
92.05750	0.3
93.07026	89.1
94.04162	1.3
94.07359	1.3
95.04953	8.3
95.08586	3.8
97.02874	14.2
97.06522	1.2
99.04444	2.7
103.03907	0.6
103.05444	2.4
105.04532	0.9
105.07012	11.4
106.07836	0.6
107.04948	1.6
107.08573	23.4
108.08857	0.6
109.02854	7.0
109.06512	2.0
109.10141	1.1
111.04438	2.5
111.08058	4.1
115.03917	2.3
115.05430	2.3
116.06221	0.7
117.06981	2.2
119.04917	0.9
119.08564	10.6
120.08073	0.4
121.06512	2.9
121.10120	100.0
122.03630	2.7
122.10441	1.9
123.04425	0.5
123.08064	2.6
123.11678	1.8
125.05978	1.3
127.03011	0.6
127.03895	6.8
128.06215	1.4
129.05476	0.6
129.06989	4.0
131.04890	2.3
131.08540	8.3
131.27428	0.3
133.04941	1.6
133.06483	0.8
133.07550	0.4
133.10086	2.0
135.08026	1.2
135.11568	0.4
136.07568	0.4
137.05949	62.5
138.06303	0.9
139.03886	0.4
139.11139	3.7
141.06999	0.5
143.04892	3.7
143.08575	0.6
144.05655	0.8
145.02779	0.5
145.04932	3.6
145.06360	1.5
145.10089	2.6
147.04376	1.8
147.08005	1.5
147.11670	0.5
148.04759	0.4
149.05995	0.9
149.09587	35.7
150.10005	0.5
151.03894	2.2
151.07501	1.5
151.11140	0.6
152.73254	0.4
153.05504	0.9
153.06992	0.4
155.08553	0.6
157.06464	3.0
157.10095	0.7
159.08057	0.9
159.11597	0.6
160.05176	5.0
160.60645	0.3
161.05951	1.4
161.09613	1.2
161.13310	0.4
163.03889	2.1
163.07497	2.2
163.11166	1.3
165.05428	0.5
165.09093	0.8
166.08545	0.4
167.07001	0.6
167.10648	23.1
168.11044	0.5
169.06480	0.4
171.07979	0.7
171.11647	0.4
172.05176	1.0
173.05959	0.6
173.09633	0.7
174.06757	1.2
175.07513	36.5
176.07886	1.0
177.05449	1.1
177.09097	1.3
179.07051	0.9
181.06470	0.4
185.05879	0.4
185.08101	0.3
185.09566	0.5
187.07510	13.9
187.11119	0.5
188.08051	0.5
189.09084	5.0
191.10654	3.0
193.08540	0.4
199.07494	0.7
199.11143	0.6
201.09157	1.6
203.08606	0.5
205.08597	6.9
207.10110	0.8
209.11696	0.7
211.07495	0.7
211.11163	0.4
213.07468	0.6
215.10645	0.6
217.08574	4.0
217.12144	1.0
219.08060	0.8
219.10132	1.1
225.11154	0.6
227.10602	0.6
229.12227	0.5
231.08044	1.1
233.11652	0.9
235.07640	0.4
235.09598	8.3
239.06876	0.5
241.07037	0.8
243.13750	0.4
245.11757	0.6
247.07504	0.7
247.13289	1.1
248.08241	0.8
255.06531	0.5
257.11740	0.7
259.07709	0.5
261.09045	0.4
263.10602	1.1
264.07608	0.4
265.14368	0.8
270.08862	0.5
271.09625	1.3
273.14813	1.2
275.12775	2.7
276.07785	0.6
277.08774	0.5
279.10153	1.1
281.13840	1.9
283.09818	0.7
283.15323	2.0
287.05444	4.3
291.10028	2.3
293.13821	10.4
295.10239	0.4
297.11551	0.4
297.14801	0.4
303.10074	0.4
308.10660	0.4
310.12021	0.4
311.14865	38.2
312.15201	1.2
323.12747	3.0
325.14319	1.0
327.13663	0.4
329.15720	0.5
335.12744	1.0
339.13254	0.8
341.13763	4.5
353.13602	0.9
357.13168	1.9
381.16727	0.7
399.18091	0.3
407.16714	1.3
417.19006	0.6
419.16388	0.3
425.17816	0.9
437.18094	0.7
443.19019	1.0
455.18793	0.5
471.21683	0.5
473.19775	0.4
489.22400	1.4
507.23541	0.8
552.19904	0.4
611.24719	0.7
615.24872	0.4
633.26971	1.8
651.27313	1.0
669.28961	0.6
682.25452	1.0
773.28522	0.4
844.30493	0.5
936.40698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.569
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	12.2
71.04874	0.3
72.99164	1.1
73.02808	1.5
75.00752	0.3
81.03323	0.5
83.01242	0.9
83.04877	0.8
84.02015	0.3
85.02824	7.6
86.03139	0.3
87.00748	2.8
89.01767	0.5
89.02314	8.8
89.61037	0.3
95.01237	0.8
95.04897	0.4
97.02817	2.7
97.06468	1.7
99.00744	0.7
101.02321	8.6
109.06432	0.3
111.04395	0.3
111.08006	0.5
113.01622	0.4
113.02334	4.7
113.09541	0.3
117.84713	0.2
118.20579	0.3
119.03387	2.4
119.08586	0.4
124.42628	0.2
125.02346	2.8
125.09566	0.8
127.11128	0.9
131.03429	0.6
137.09610	1.9
139.03941	0.3
141.01843	0.4
143.03395	1.4
145.04927	0.2
149.04369	0.3
155.10663	0.8
161.04469	1.7
165.12784	0.4
167.10657	0.3
167.14285	0.5
171.10179	22.1
172.10481	0.8
177.12738	0.5
179.05528	2.7
179.14290	0.5
181.12367	0.4
183.13844	1.9
185.11777	0.6
193.12181	0.5
195.13826	5.4
196.14362	0.6
197.11719	0.4
201.11243	1.2
205.12164	0.3
205.15778	0.3
209.11745	0.9
211.13345	10.1
212.13655	0.7
217.07173	0.3
221.06644	0.9
221.11758	1.6
223.13341	3.7
224.13748	0.3
228.13632	0.5
229.14406	7.5
230.16673	0.3
231.20898	0.3
235.08157	2.8
239.12776	1.5
247.20557	0.5
253.09258	0.8
256.13208	0.7
263.07651	0.5
265.21741	0.3
275.20151	3.0
276.20471	0.4
287.07681	0.6
291.19604	3.2
292.19928	0.4
293.21216	59.4
294.21555	4.9
305.08926	0.6
309.20700	7.6
310.21008	0.6
312.17160	0.3
323.09720	0.7
327.21750	100.0
328.22098	8.5
351.21722	0.5
379.12543	0.3
397.13486	29.9
398.13785	2.3
415.14563	21.3
416.14835	1.6
577.98560	0.3
603.42627	4.0
604.43329	1.0
654.27252	0.4
691.35443	4.4
691.46698	0.4
692.35596	1.1
707.34949	5.4
708.34869	1.5
725.36041	5.0
726.36456	0.7
802.75842	0.3
989.80457	0.3
1001.56793	1.0
1002.57324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.6573
Annotation	Unknow
Peak:m/z	Relative Intensity
70.27258	0.1
70.27608	0.4
71.01257	1.0
71.04870	0.4
72.99139	0.2
73.02811	0.2
76.98648	0.1
78.95760	0.1
81.03323	0.3
83.01200	0.1
85.02842	0.3
85.06443	0.2
86.48721	0.1
87.00757	0.6
88.00262	0.2
88.98679	0.8
89.02315	0.9
95.04861	0.2
96.95857	0.4
97.02798	0.3
97.06474	2.4
99.00742	0.1
101.02280	0.5
108.08781	0.1
111.08014	0.2
113.02269	0.4
116.92710	0.2
119.03354	0.2
125.02293	0.2
125.09557	0.1
130.43919	0.1
135.04399	0.2
137.09656	0.2
143.03291	0.1
149.09596	0.2
153.09084	0.1
171.10168	0.7
181.12296	0.3
191.14310	1.1
193.12280	0.2
197.11780	1.3
198.12061	0.1
205.12184	0.1
208.62105	0.1
211.13422	0.7
212.13695	0.1
223.13353	0.2
235.08226	0.3
253.09238	0.2
265.14841	0.3
277.21725	0.8
291.19589	0.7
293.21191	0.8
295.22952	0.2
307.24063	0.2
309.20706	2.7
310.21118	0.3
311.22272	3.8
312.22635	0.3
325.20288	0.2
327.21634	0.5
343.21304	0.8
355.26434	0.2
373.25357	0.4
374.25980	0.2
375.27020	0.5
377.28464	0.2
388.27731	0.2
389.28571	1.0
390.29102	0.1
391.30148	3.8
392.30466	0.4
393.27673	0.3
393.32037	1.0
397.13574	1.6
402.36569	0.1
403.30066	0.6
405.26822	0.2
405.31677	3.8
406.31879	0.6
407.33334	7.6
408.33600	0.8
409.30939	1.2
415.14581	1.2
419.29993	0.2
421.31326	0.4
423.28247	0.4
423.33481	1.5
424.33344	0.2
425.34671	1.0
437.30643	2.4
438.30923	0.3
439.32190	2.0
440.32568	0.3
441.33752	17.0
442.34036	1.9
443.35193	0.2
449.30579	1.2
451.32202	8.6
452.32477	0.9
453.33749	100.0
454.34097	13.0
455.31711	1.5
456.32019	1.5
457.32404	0.8
459.34784	0.2
467.31610	1.8
468.32016	0.3
469.33237	10.3
470.33600	1.5
471.34641	0.4
483.31076	0.2
485.32675	4.0
486.33087	5.1
487.34262	25.8
488.34662	2.9
497.32739	1.3
498.33475	0.2
513.32184	1.6
514.32428	0.2
603.42078	0.2
689.33282	0.2
839.40778	0.2
843.44019	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	5.4
71.04882	3.1
71.53140	0.5
72.99168	0.7
73.02816	1.3
75.00731	0.6
83.01256	0.6
83.04900	0.9
83.48990	0.4
85.02821	2.3
87.00748	0.8
89.02313	2.5
93.03344	0.4
95.01257	0.4
99.00752	0.7
101.02322	3.4
107.17116	0.3
108.02068	0.5
109.06488	0.4
113.02322	2.5
114.02654	0.3
119.03362	0.8
119.04870	0.5
121.02801	0.4
121.31009	0.3
121.95321	0.4
123.04491	0.5
125.02316	0.4
131.03351	0.8
133.02818	0.8
135.04388	1.4
137.02299	0.5
145.02863	0.7
151.03864	0.4
152.01038	0.7
161.02335	1.6
161.04434	1.1
163.03905	0.8
167.03438	0.8
179.03488	1.0
205.05006	0.6
221.06578	0.6
228.90671	0.4
238.00581	0.4
367.10245	0.4
375.27072	0.4
377.28476	1.5
395.29449	0.9
405.26932	0.4
419.29385	0.7
437.30630	8.9
438.30859	1.2
455.31625	8.1
456.31992	1.1
457.29462	1.5
461.20743	1.7
467.25089	1.3
471.31360	0.4
473.32697	2.6
479.21310	0.7
499.30609	12.3
500.31152	1.6
505.31445	0.7
517.31689	38.5
518.32001	5.9
535.14185	0.4
535.32977	2.4
559.32928	1.3
1003.47577	100.0
1004.47882	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	1007.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
70.24912	0.3
71.01254	13.9
71.51622	0.3
72.01588	0.3
72.68409	0.2
72.99184	10.0
73.02817	1.3
75.00744	6.3
80.92381	0.3
83.01254	2.4
85.02823	14.6
87.00753	3.9
89.02322	2.5
95.01262	3.4
99.00761	5.1
101.02324	2.7
101.39630	0.3
102.29563	0.3
103.00245	3.7
111.00748	0.6
113.02332	19.1
114.02704	0.5
115.00272	1.4
117.01834	0.5
117.03352	1.1
129.01805	1.0
131.03398	1.6
133.01320	0.9
139.00281	0.4
151.00247	0.5
157.01358	0.9
163.02318	0.3
175.02397	4.2
193.01828	0.6
193.03474	9.5
201.04021	0.3
205.12537	0.3
225.05569	0.4
235.04486	0.8
235.36592	0.3
259.09979	0.2
269.04541	18.8
270.04849	1.2
289.05817	1.6
307.06622	0.4
311.05557	0.8
333.04584	1.1
351.05676	100.0
352.06009	5.4
380.02634	0.3
381.30881	0.3
423.55658	0.3
438.73367	0.3
473.16867	0.3
487.08929	1.4
621.10974	22.7
622.11230	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	1007.6826
Annotation	Unknow
Peak:m/z	Relative Intensity
70.47634	0.1
71.04855	0.2
73.02837	0.1
85.02813	0.1
88.98672	0.4
118.36710	0.1
134.95496	0.1
195.63048	0.1
299.21078	0.1
318.25934	0.1
357.25946	0.1
359.27472	0.2
363.26978	0.2
373.25323	0.1
377.28549	0.2
379.30011	0.3
389.28586	0.3
391.25922	0.2
391.30270	0.3
393.31772	0.4
401.28531	0.7
403.30115	0.2
405.28171	0.1
407.29575	1.1
408.29727	0.1
409.26797	0.1
409.31244	1.7
410.31522	0.1
411.32605	0.1
417.27933	0.4
419.29755	0.5
421.31091	2.4
422.31467	0.3
425.30762	0.8
428.93607	0.1
439.31934	0.7
440.32541	0.3
441.33755	5.0
442.08978	0.1
442.33881	0.6
443.31628	0.1
453.30090	0.8
455.31821	0.2
457.33292	2.3
458.33496	0.3
459.34744	0.4
473.32755	1.8
474.32822	0.3
485.32736	5.2
486.33057	0.7
501.32388	0.1
502.32419	0.2
503.33774	100.0
504.34116	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	1007.6828
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01248	0.4
71.04887	0.4
71.52134	0.2
72.99150	0.1
76.23390	0.1
78.02322	0.1
83.01279	0.1
83.04903	0.3
85.02841	0.2
85.96497	0.1
87.00738	0.1
88.98688	0.2
111.22168	0.1
113.02322	0.4
133.02827	0.8
135.04430	0.8
140.49954	0.1
161.02364	1.1
179.03348	0.6
180.03851	0.2
201.05490	0.1
209.11754	0.2
215.07039	0.2
268.28201	0.1
289.93265	0.1
353.14026	0.1
367.26303	0.1
387.29004	0.2
393.31699	0.3
401.28564	0.1
403.86307	0.1
406.28738	0.2
407.29868	0.2
409.30988	0.1
419.29605	0.5
421.31027	0.8
425.30316	0.2
431.31598	0.1
439.32108	0.4
440.32599	0.2
441.33572	0.6
443.31723	1.0
444.31915	0.1
453.30023	0.3
457.33279	0.5
458.33557	0.5
459.34741	2.0
460.34976	0.2
467.31638	0.3
471.31445	0.2
473.32870	0.2
483.31027	0.3
484.31491	0.3
485.32727	13.3
486.33170	2.0
487.14160	0.2
487.34247	0.8
501.32388	1.6
502.32639	2.3
503.33774	100.0
504.34131	14.6
505.34302	0.4
519.33191	0.2
534.20471	0.1
594.08923	0.2
663.38824	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	50.3
71.52472	0.6
72.99179	7.4
73.02821	23.3
75.00743	2.0
83.01258	2.9
85.02827	24.5
87.00747	2.7
89.02321	47.6
90.02711	0.8
92.64619	0.7
93.03336	0.9
95.01270	8.6
96.95911	0.7
97.02825	3.1
99.00759	100.0
100.01084	1.2
100.74963	0.6
101.02329	20.3
108.02073	1.1
113.02335	53.0
114.02679	1.4
115.03921	0.8
119.03423	3.2
119.04894	0.7
121.02862	1.5
121.10121	18.9
123.00780	0.9
125.02330	4.0
131.02469	1.0
131.03395	12.9
131.30626	0.6
133.02859	4.3
135.04416	5.4
136.01569	9.5
137.02351	5.3
143.03419	5.2
145.02834	1.4
148.05220	4.5
149.04462	39.2
150.03120	1.0
151.00291	6.9
151.03925	10.9
152.00967	1.2
153.01904	0.6
155.03366	0.9
161.02411	6.7
161.04466	17.1
163.03894	1.6
163.07545	3.9
163.11281	1.0
165.09123	35.4
166.02631	13.7
167.03465	0.9
175.03934	0.8
177.01897	1.4
177.09184	0.8
179.03423	5.3
181.04982	10.4
183.10240	1.4
191.05544	25.4
192.05864	1.0
193.05090	0.9
193.12245	1.0
195.06606	1.2
207.10217	7.9
215.05569	0.8
233.06635	11.5
237.11279	12.8
263.03342	0.8
285.04156	4.6
293.08771	5.3
297.13412	14.1
327.14569	1.2
339.14435	5.0
345.15588	4.4
357.09732	2.7
369.15677	1.1
372.12061	2.2
381.15585	2.4
387.09430	1.6
387.14471	32.2
388.14938	3.1
415.19714	0.9
433.20517	0.9
441.17603	1.7
459.18732	50.8
460.19223	3.7
461.07465	1.6
463.08624	0.8
477.19791	97.2
478.20105	8.3
501.19742	2.4
507.24423	1.2
519.20782	5.5
543.20850	2.5
603.22852	1.8
621.24170	10.9
622.24359	0.9
1009.38696	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	26.4
72.99181	14.1
73.02818	12.0
75.00735	1.8
81.03355	1.1
82.12003	0.3
83.01260	6.6
84.02043	0.4
85.02824	19.5
85.99988	1.6
87.00757	2.6
89.02318	5.2
93.03355	0.9
95.01266	3.9
95.01735	0.3
96.95905	0.4
97.02834	3.9
99.00754	8.6
99.01344	0.6
101.02323	26.6
102.02639	0.5
107.04942	0.5
108.02048	2.0
109.02845	2.4
111.00728	1.7
111.04418	0.6
112.01546	2.4
113.02329	19.1
114.02677	0.3
116.92749	0.4
119.03459	0.6
121.02867	1.3
123.00787	1.0
123.04454	1.0
125.02332	2.7
129.01825	1.0
131.03442	0.8
132.02071	0.7
133.02852	6.5
134.03641	1.1
135.04417	8.0
136.01559	7.4
136.04741	0.6
137.02364	2.1
139.00264	0.4
139.03886	0.4
141.01855	0.6
143.03400	2.3
145.01288	0.5
145.02881	1.2
147.04396	0.5
149.02312	0.6
149.06012	0.4
150.03093	0.6
151.00281	5.3
151.03909	6.1
152.01035	2.0
153.01848	1.0
159.02971	2.1
159.04201	0.4
160.01588	0.4
161.02354	11.5
161.04422	4.5
161.05736	0.6
162.02686	0.8
163.03944	0.9
165.01820	0.3
165.05573	0.4
166.02621	9.9
167.03177	0.6
175.03938	1.0
177.01872	1.3
177.05658	0.5
178.02437	0.4
179.03406	7.2
180.03732	0.6
181.05006	6.1
185.11766	3.4
187.07516	0.4
193.05092	0.7
201.71378	0.4
202.06345	0.7
203.03346	0.4
209.11696	0.4
211.13354	0.8
227.12857	0.6
237.05577	1.1
237.14961	1.5
253.05003	0.4
255.55875	0.4
272.15067	0.4
285.04016	0.6
303.18137	4.6
304.18433	0.5
317.70703	0.3
329.16095	4.2
347.17090	13.1
348.17526	1.1
357.09790	0.9
372.12241	1.0
387.14474	16.5
388.14767	1.3
389.18304	1.3
398.47620	0.4
403.15912	0.5
443.19412	0.6
461.20270	100.0
462.20581	9.7
479.21323	91.3
480.21683	9.3
487.14468	0.4
503.21182	1.6
521.22424	8.5
545.22461	4.5
549.19702	0.5
575.23468	0.5
605.24359	0.7
621.18146	0.5
623.25714	11.8
624.26367	1.7
624.35547	0.5
717.23761	1.3
718.23462	0.6
719.25446	2.1
720.25708	0.9
1011.39600	3.6
1012.39911	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5857
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	9.7
72.99182	0.9
73.02821	1.4
75.00745	0.3
81.03336	0.6
83.01270	1.1
83.04897	0.9
84.02043	0.8
85.02823	2.6
87.00757	2.2
89.02319	7.8
95.01270	0.8
95.04916	0.4
97.02827	1.8
97.06467	6.4
98.06789	0.2
99.00751	0.7
99.04391	0.5
100.70953	0.2
101.02326	7.0
102.02651	0.2
103.43054	0.2
103.82898	0.2
109.06466	0.3
111.00768	0.3
111.04439	0.3
111.08031	0.5
113.02328	4.0
115.03899	0.2
116.92754	0.2
119.03393	2.0
119.08534	0.3
121.02820	0.2
123.08086	0.3
125.02345	2.9
125.09618	1.2
127.11131	0.4
131.03386	0.5
133.02858	0.4
135.04404	0.3
137.09610	0.8
141.01816	0.3
141.09084	0.2
143.03418	1.2
151.11226	0.2
153.76161	0.2
155.10652	0.2
161.02319	0.2
161.04480	2.0
163.11244	0.4
165.12766	0.6
166.20810	0.2
167.10710	0.3
167.14310	0.2
171.10187	5.2
175.11206	0.7
177.12805	0.6
179.03403	0.2
179.03729	0.2
179.05530	2.9
179.10677	0.2
179.14276	0.5
181.12274	0.2
183.13840	0.4
185.11795	0.5
193.12274	9.3
194.12659	0.4
195.13834	5.0
196.14392	0.3
197.11722	0.6
197.15489	0.4
205.12241	0.3
205.15889	0.3
209.11774	0.7
211.13359	3.5
217.07091	0.5
220.22774	0.2
221.06595	1.1
221.11778	0.9
223.13338	3.3
225.14915	14.6
226.15221	0.7
227.12950	0.4
228.13651	0.3
235.08202	2.2
239.12918	0.3
243.15973	6.3
244.16333	0.5
249.14806	0.3
253.09244	0.7
253.14400	0.8
256.13211	0.7
263.07675	0.5
272.16373	0.2
275.20135	3.0
276.20612	0.3
287.07733	0.9
289.18088	0.7
291.19699	1.6
293.21228	59.6
294.21594	4.1
305.08795	1.2
305.21228	0.7
307.19043	0.5
309.20700	0.8
320.03003	0.2
323.09760	0.6
323.22202	1.4
325.20096	0.4
327.21637	0.3
341.23309	100.0
342.23654	7.2
342.26797	0.2
365.23401	0.6
379.12439	0.5
383.24771	0.4
397.13495	19.6
398.13837	1.2
415.14584	14.9
415.19022	0.2
416.14941	0.7
529.35815	0.5
545.29535	0.2
617.44238	6.0
618.44757	1.0
654.27881	0.2
673.34113	0.4
691.35620	2.5
692.36646	0.4
704.35907	0.2
721.36505	2.3
722.36975	0.4
739.25037	0.3
739.37598	4.8
740.37720	0.5
799.58093	0.2
823.11737	0.2
1015.57513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5851
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	16.7
72.99191	2.3
73.02811	5.2
83.01252	2.9
83.04916	1.7
84.02043	4.1
85.02833	4.2
87.00755	3.6
89.02310	14.9
95.01283	1.2
96.95878	2.1
97.02831	4.2
97.06484	4.6
98.19805	2.4
99.00738	2.2
99.04402	1.8
99.92462	11.1
101.02323	11.8
111.08051	2.5
113.02311	9.1
116.92746	58.8
117.01836	3.8
117.92755	3.4
119.03393	3.7
119.08567	1.6
125.02380	4.6
125.09606	2.2
133.02803	1.0
135.04378	1.1
135.07996	1.0
143.03403	2.4
145.02748	0.8
151.11205	1.3
153.47951	0.7
161.02348	1.7
161.04456	2.5
163.11234	1.6
165.12762	0.9
169.12257	1.3
171.10185	18.4
177.12750	1.2
179.05609	4.2
185.11824	1.5
191.14304	1.1
193.12285	6.3
195.13794	5.1
197.11751	10.4
207.10187	1.0
209.11821	4.1
211.13370	6.4
221.06413	1.8
221.11821	1.6
223.13312	4.8
225.14877	9.7
227.12856	2.8
229.14473	0.9
229.51752	0.8
235.08212	3.5
239.12860	1.0
243.15854	4.3
245.19041	1.9
253.09340	1.2
263.20065	1.3
275.20099	3.1
287.07672	1.3
289.18152	8.2
291.19690	8.5
292.19980	1.7
293.21225	64.7
294.21600	4.6
305.08939	0.9
307.19135	8.3
309.20700	10.1
310.21124	1.5
323.22284	1.8
324.22644	1.7
327.21671	2.2
341.23312	100.0
342.23654	8.6
379.12296	0.9
397.13467	29.0
398.13937	2.4
415.14566	21.1
416.14847	1.3
567.09064	0.9
617.44153	6.1
691.35345	3.8
721.36639	3.1
739.37140	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	1017.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01261	5.1
71.04877	2.3
71.51193	0.5
72.99191	0.8
73.02825	0.8
83.01212	0.5
85.02829	2.4
87.00780	0.7
89.02322	1.2
95.01266	0.6
96.95887	1.3
97.02848	0.6
101.02310	2.8
103.30032	0.5
110.03223	0.5
113.02334	2.3
117.03356	1.4
119.04865	1.2
125.02338	0.7
132.02077	7.5
133.02866	10.5
134.03642	14.8
135.04434	8.4
137.02336	1.6
145.02873	1.3
147.04366	0.6
149.04471	0.5
149.05975	1.7
151.03952	1.0
152.01117	0.5
152.07059	0.7
160.01573	29.7
161.02357	39.3
162.02693	2.0
163.03891	1.0
175.03925	32.0
176.04501	2.0
177.01826	1.0
178.02640	1.1
179.03418	7.9
190.02489	0.6
191.07042	1.3
193.03348	0.8
193.04999	11.7
203.03465	0.8
235.06116	1.5
245.04729	0.6
265.07242	0.6
277.79956	0.5
304.32010	0.6
323.07788	2.0
337.09329	2.0
361.04068	0.5
365.08737	1.1
377.28552	1.0
379.10287	0.8
383.09851	1.3
397.11163	1.1
419.29202	0.6
437.30573	7.5
438.30853	0.8
455.31683	5.2
473.32614	1.9
485.13049	4.8
499.30499	6.4
500.30899	0.7
517.31720	26.6
518.32153	3.9
559.32898	1.2
710.40375	0.6
841.42798	4.3
842.42511	0.8
897.43384	0.7
1017.47015	100.0
1018.47321	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	9.5
71.01618	0.3
71.04858	0.4
72.99129	0.8
73.02814	1.5
81.03291	0.6
83.01219	0.8
83.04844	0.7
84.01995	0.3
85.02818	5.6
85.06422	0.3
85.25191	0.2
87.00752	2.2
89.02319	8.0
93.03284	0.3
95.01217	0.8
95.04839	0.6
96.95831	0.6
97.02275	0.2
97.02828	3.5
97.06458	1.8
98.19779	0.4
99.00723	0.6
101.02325	7.4
109.02851	0.2
109.06477	0.6
111.00794	0.3
111.04353	0.3
111.08035	2.3
113.02323	3.9
116.92678	0.3
119.03390	2.2
121.02789	0.3
123.07999	0.6
125.02336	2.3
125.09551	1.1
127.11179	1.4
131.03366	0.4
133.02834	0.3
134.21918	0.2
135.04324	0.8
137.09618	1.9
139.03918	0.2
143.03409	1.3
153.12727	0.4
155.10629	0.9
155.14206	0.3
161.02277	0.7
161.04430	1.9
163.11153	0.8
165.12740	1.6
167.10550	0.4
167.14342	0.4
169.12270	1.1
171.10179	18.7
172.10464	0.6
177.12704	0.4
179.03432	0.7
179.05475	2.8
179.10725	0.3
181.12263	1.2
183.13817	2.3
185.11728	0.6
193.12175	1.0
197.11769	12.6
198.12178	0.4
199.13303	0.8
201.11198	1.1
209.11795	1.9
211.13344	11.8
212.13623	0.6
221.06616	1.3
221.11790	1.7
223.13301	0.4
227.12878	1.2
229.14406	7.6
230.14688	0.4
235.08183	2.4
239.12863	1.2
247.20601	0.9
253.09340	0.4
263.07642	0.4
263.20255	0.6
265.18127	0.3
273.18665	0.6
287.07660	0.8
291.19666	12.4
292.20041	0.8
293.21179	0.8
305.08823	0.6
309.20703	43.9
310.21094	3.3
320.03558	0.3
323.09711	0.7
327.21756	100.0
328.22125	6.2
343.21292	1.9
351.21777	0.5
379.12338	0.3
397.13483	25.0
398.13870	1.7
415.14584	19.4
416.14981	0.8
431.98926	0.3
485.32739	0.8
486.33319	0.4
537.18158	0.3
545.29858	0.4
550.29749	0.2
569.49060	0.3
619.42212	4.1
620.42902	0.5
689.34125	0.5
707.34973	10.5
708.35394	1.9
725.35974	5.8
725.48114	0.3
726.36719	0.8
802.43695	0.3
1017.56140	1.6
1018.57361	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	1.5
75.00733	0.7
83.01264	0.4
85.02822	2.5
87.00761	0.5
89.02315	0.2
95.01251	0.6
99.00748	0.8
103.00231	0.2
105.03333	0.2
107.01283	1.0
109.02832	0.5
113.02335	2.3
115.00256	0.3
117.01806	0.2
121.02844	0.4
129.01828	0.2
133.02838	5.4
134.03087	0.2
135.04430	0.2
145.54851	0.2
149.02354	1.4
151.00278	4.0
151.03871	0.2
171.04344	0.3
174.77126	0.2
175.02505	0.3
175.03911	1.9
176.87463	0.2
177.01831	0.3
185.05908	0.4
197.05971	0.3
198.03168	0.3
199.03900	1.6
201.01833	0.5
213.05586	0.6
215.03474	0.3
217.04980	1.3
229.04973	0.4
239.03377	0.2
241.05002	0.7
243.02969	0.8
249.16302	0.2
257.04416	0.3
284.03296	0.6
285.04031	100.0
286.04391	6.6
287.04684	0.3
297.03906	0.6
327.05084	0.8
357.06116	1.2
366.81952	0.2
369.06345	0.3
381.06021	0.4
399.07489	0.2
422.36713	0.2
429.18982	0.2
461.07239	55.1
462.07629	4.7
463.07532	0.4
557.22028	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01258	10.5
76.46473	4.2
76.81924	4.6
78.95791	6.0
89.02320	10.0
101.02298	7.0
105.67527	4.1
109.40150	4.4
113.02331	4.0
113.78345	4.2
116.92760	18.5
131.38165	4.6
165.01859	5.9
179.05522	7.2
179.45209	4.5
195.13762	4.8
197.11719	25.5
211.13368	5.8
223.13263	5.1
291.19666	17.6
293.21213	100.0
294.21503	8.4
309.20667	95.6
310.21048	7.0
397.13486	50.9
403.61453	4.9
415.14709	24.1
439.54337	4.8
471.34436	9.4
490.98730	5.1
644.06537	5.1
647.04120	5.5
649.87512	4.6
689.33801	18.0
691.34955	11.5
707.34967	15.7
983.55927	7.1
1019.53418	84.7
1020.52997	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.299
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	18.4
71.51778	0.9
72.99179	13.3
73.02825	3.0
75.00748	8.4
77.02718	0.8
80.64020	0.9
81.93069	0.8
83.01266	3.0
85.02350	1.5
85.02827	20.4
86.03141	0.9
87.00751	4.8
89.02338	3.0
95.01270	4.7
97.69849	0.8
99.00758	8.5
101.02335	2.9
103.00269	5.2
113.02328	26.3
115.00267	2.2
117.01843	1.1
117.03361	1.7
129.01846	1.7
131.03413	1.3
133.01370	0.9
138.89780	0.8
149.02383	1.2
151.00150	0.8
157.01337	1.8
175.02400	5.3
181.93718	0.9
193.03441	12.5
234.09972	0.8
235.04565	1.2
253.72176	0.9
266.29147	0.8
269.04556	22.7
270.04984	2.3
289.05768	1.8
333.04437	1.7
351.05664	100.0
352.05914	6.7
353.06445	0.8
376.73267	0.8
621.10895	20.0
622.11102	3.3
629.83234	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1026.5853
Annotation	Unknow
Peak:m/z	Relative Intensity
94.38486	59.3
98.20488	100.0
241.77625	53.6
243.04022	50.8
288.80786	54.8
309.20731	72.4
309.85260	65.6
327.21878	80.3
397.13519	79.8
524.13959	56.1
615.13959	66.6
692.08411	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	1.7
72.99185	0.4
75.00732	0.6
76.63432	0.2
83.01253	0.7
85.02814	2.3
86.61573	0.2
87.00736	0.7
89.02315	0.4
95.01251	0.4
99.00776	1.0
103.00227	0.3
105.03337	0.4
107.01283	1.8
109.02827	0.6
113.02325	1.9
115.00264	0.3
117.01804	0.4
121.02831	0.6
129.01781	0.3
132.02051	0.4
133.02846	6.0
135.04391	0.3
149.02338	1.6
151.00270	3.9
160.03897	0.3
161.02390	0.2
165.84560	0.2
171.04488	0.3
175.02458	0.4
175.03917	2.6
177.01837	0.5
185.06094	0.3
187.03877	0.3
197.05983	0.3
198.03133	0.3
199.03932	2.2
200.04305	0.2
201.01866	0.7
211.03931	0.3
212.04703	0.3
213.05478	0.5
215.03349	0.4
217.05025	1.1
227.08189	0.2
229.05040	0.5
239.11847	0.3
240.10315	0.2
241.05037	0.8
243.02992	0.7
255.03210	0.2
257.04468	0.5
267.03006	0.6
267.07700	0.3
283.02435	0.4
283.10901	1.3
284.03244	0.8
285.04044	100.0
286.04382	6.6
297.04120	0.5
301.03510	0.4
309.08707	0.5
327.05051	1.3
327.09735	0.7
338.21722	0.2
341.11578	0.4
357.06210	0.8
371.08789	0.2
403.11270	0.5
445.12424	0.4
461.07263	48.3
462.07663	4.8
505.14557	0.9
550.07751	0.2
565.16644	4.6
566.17096	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
98.41095	12.5
127.18288	12.2
136.43764	11.2
175.03082	11.6
213.63332	16.0
216.64009	11.3
229.85295	15.4
293.21133	100.0
294.21518	69.4
295.21902	22.8
397.13354	15.0
399.13950	15.4
686.64648	15.2
824.87305	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	1033.6473
Annotation	Unknow
Peak:m/z	Relative Intensity
72.13865	0.1
72.99203	0.1
73.02817	0.1
75.37064	0.1
76.27280	0.1
77.30603	0.1
78.95777	0.1
83.04877	0.2
85.02827	0.2
87.00787	0.1
89.02322	0.3
96.95887	0.8
101.02311	0.2
113.02324	0.2
114.93299	0.2
116.92733	0.3
121.02840	0.1
121.06501	0.1
126.60787	0.1
133.02817	0.3
135.04401	0.5
153.86046	0.1
159.46800	0.1
161.02374	0.4
161.04428	0.2
169.10165	0.1
170.07147	0.1
171.10153	0.2
179.03403	0.5
191.14525	0.1
195.13913	0.2
209.11804	0.2
211.13358	0.2
223.13344	0.2
231.85463	0.1
235.16954	0.1
253.09254	3.0
275.20068	0.3
293.21231	5.0
294.21487	0.4
307.24265	0.1
325.19858	0.2
327.21716	0.5
359.27441	0.2
361.24847	0.1
363.26535	0.3
377.28433	0.3
379.30023	0.4
385.29340	0.1
389.28458	0.3
391.30154	0.3
392.30856	0.1
393.31680	0.5
397.13199	0.2
401.28357	0.6
405.27933	0.4
407.29468	0.9
409.31259	1.6
410.31851	0.2
411.32663	0.3
415.14746	0.2
417.28177	0.3
419.29663	0.5
421.31195	2.5
422.31311	0.3
423.28473	0.2
423.33206	0.2
424.29407	0.2
425.30060	0.9
435.28922	0.2
437.30743	0.2
439.32303	0.7
440.32791	0.2
441.33798	4.9
442.34241	0.7
443.31534	0.8
444.31967	0.2
452.10553	0.1
453.29996	0.8
454.30542	0.2
455.31726	0.4
456.31842	0.3
457.33231	2.6
458.33548	0.5
459.35059	1.6
460.35226	0.2
467.31561	0.2
469.33096	0.4
471.31146	0.4
473.32623	1.4
474.33401	0.2
483.31088	0.2
485.32730	7.6
486.32932	1.1
487.30563	0.2
489.32150	1.8
490.32596	2.0
491.33002	1.0
501.32474	0.8
502.32559	1.4
503.33786	100.0
504.34137	12.9
529.30499	0.9
530.30750	0.2
534.31439	0.3
535.32556	0.2
606.11060	0.1
649.39954	0.3
717.42480	0.1
876.67389	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	1037.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99181	1.1
73.02818	1.5
85.02829	3.9
87.00744	2.0
88.98679	2.7
89.02308	7.5
97.02826	2.1
97.06488	1.4
101.02310	4.5
113.02311	2.6
116.92737	1.1
119.03392	1.6
125.02338	2.6
133.02791	1.1
135.04440	0.9
143.03273	0.9
161.02319	1.8
161.04440	1.6
171.10213	11.4
179.03262	1.2
179.05505	5.0
183.13823	1.2
195.13844	2.5
209.11888	1.2
211.13368	7.7
221.06702	1.3
221.11784	1.2
223.13530	0.9
229.14406	3.8
235.08121	2.3
275.19989	0.9
287.07980	1.2
291.19666	3.3
293.21237	36.6
294.21500	2.9
305.08585	1.3
309.20752	9.9
323.09879	1.8
327.21762	100.0
328.22107	8.5
331.87265	0.9
379.68994	0.9
397.13516	21.4
398.13885	1.9
415.14526	25.1
416.14871	1.7
491.15417	1.2
603.42566	6.2
615.29303	0.9
691.35687	7.9
707.34967	26.6
708.35669	3.7
725.36084	22.6
726.36481	3.4
1001.56903	22.0
1001.77661	1.5
1002.57184	5.4
1037.54688	37.2
1038.54712	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	1041.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99175	1.2
75.00744	0.3
81.18753	0.3
83.01243	1.2
83.04919	0.3
85.02825	2.7
87.00745	0.6
89.02316	4.8
90.96322	0.3
95.01250	0.9
97.06477	0.4
99.00761	0.7
99.04401	4.0
101.02320	3.0
107.01278	0.6
111.04349	0.3
113.02334	3.0
115.00263	0.5
116.64471	0.2
117.03331	2.2
119.03397	1.5
121.06435	0.4
131.03368	0.4
133.02864	0.5
135.04362	0.7
145.02841	0.4
149.02385	0.6
151.00301	0.9
159.04424	0.9
161.02341	1.2
163.03960	0.5
165.12769	2.7
169.06483	0.3
170.65916	0.3
179.03436	0.3
183.04376	0.5
189.12761	0.4
191.10652	0.3
197.05954	0.4
201.05463	0.3
207.13849	6.5
209.11766	16.4
210.12161	0.9
225.05499	0.7
225.14868	3.8
226.15334	0.4
227.03502	0.4
251.12836	3.5
265.07327	0.3
268.03799	1.0
269.04547	51.6
269.13922	38.4
270.04877	4.3
270.14264	2.4
271.05099	0.4
281.04568	0.4
284.03256	0.6
285.03970	2.3
286.04242	1.0
287.04541	0.3
287.15024	0.6
311.05469	0.4
321.08279	1.2
365.28989	0.3
389.18524	0.4
404.57877	0.3
447.08914	0.6
448.09473	0.4
449.20264	100.0
450.20566	9.8
523.18323	0.4
549.20343	0.6
591.13519	17.0
592.13983	2.8
593.13733	0.6
1006.85779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.564
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02768	1.6
75.83506	1.5
77.53563	1.7
78.95755	2.8
79.63322	1.3
80.96377	1.4
85.02814	4.1
86.37296	1.3
87.00767	2.3
89.02316	10.8
95.04940	1.6
97.02909	1.7
97.06445	2.1
101.02338	9.5
113.02306	5.6
119.03394	3.6
125.02298	3.7
125.09595	3.5
137.09557	1.7
143.03328	2.3
161.04419	3.3
163.11116	2.1
179.05531	4.4
181.76332	1.4
191.14285	4.7
195.13788	6.4
209.11696	6.6
211.13284	1.7
223.13289	4.4
235.08163	3.7
245.18991	8.3
255.95827	1.5
256.13065	2.2
257.75027	1.4
275.17331	1.5
275.20132	5.0
284.29910	1.5
289.18115	35.5
290.18521	3.9
293.21240	100.0
294.21530	5.0
307.19128	38.0
308.19568	3.5
326.81683	1.6
339.98181	1.6
379.12393	2.6
397.13550	30.3
398.13776	3.0
415.14529	15.1
430.83972	1.5
691.35211	2.9
883.46466	1.9
981.54510	7.1
1035.00598	1.5
1041.54236	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	1043.5801
Annotation	Unknow
Peak:m/z	Relative Intensity
74.78487	2.3
80.24725	1.8
85.02830	4.3
87.00739	5.2
89.02303	8.8
97.02805	4.0
101.02321	10.2
107.93832	2.0
111.08014	2.9
113.02306	8.8
116.86869	2.1
119.03420	3.2
125.02354	4.5
156.75641	1.9
165.12688	2.8
169.12219	2.1
175.02338	2.6
179.05505	3.8
195.13843	6.3
197.11754	14.1
202.06964	1.7
209.11815	3.2
211.13348	8.0
221.06784	2.5
223.13297	8.3
235.08249	3.7
275.20200	5.7
277.21677	4.5
287.07950	2.7
291.19662	16.1
293.21225	100.0
294.21524	9.0
309.20718	67.3
310.21112	5.2
341.23230	2.3
379.12454	3.4
391.54312	2.0
397.13489	36.0
415.14731	16.3
441.94861	1.9
471.34833	2.1
585.41425	3.3
651.91699	2.1
689.33459	4.0
691.35516	7.1
707.35217	5.5
727.64093	2.3
798.87561	2.0
873.70874	2.2
903.34802	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	1045.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99179	1.3
73.02815	0.5
75.00746	3.2
83.01279	0.9
84.02026	0.3
85.02822	15.9
85.46208	0.2
86.03197	0.2
87.00745	2.2
88.65137	0.2
89.02320	1.2
93.03334	1.1
94.03683	0.3
95.01265	5.0
99.00758	5.6
101.02341	0.8
103.00252	2.4
107.01231	0.3
111.00785	0.4
112.77854	0.2
113.02332	29.1
114.02664	0.5
115.00263	1.2
117.01819	1.9
125.02314	0.3
125.62099	0.2
129.01814	1.4
133.02890	0.5
134.03639	0.5
135.04320	0.2
137.02357	0.9
139.00269	0.7
151.00273	0.9
154.21712	0.2
157.01363	0.5
161.02393	0.4
175.02399	14.5
176.02728	0.6
179.03331	0.3
187.03821	0.2
199.04025	0.2
200.04787	0.3
211.03900	0.4
212.04675	0.3
227.03464	0.8
228.04114	0.2
239.03331	0.2
255.02930	0.7
256.03751	4.3
257.04092	0.3
271.02347	0.3
281.06714	0.3
283.02524	0.7
284.03259	78.4
285.03619	6.1
286.04169	0.3
297.04004	0.4
298.04764	0.4
299.05597	100.0
300.02524	0.3
300.05939	6.2
300.09143	0.4
308.27719	0.2
314.04419	0.3
341.06635	0.8
363.06592	0.2
371.07452	0.3
461.20657	0.2
475.08810	81.8
476.09189	8.2
476.36765	0.2
477.09836	1.1
543.24493	0.5
641.24115	0.2
1045.36414	0.6
1066.26379	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5539
Annotation	Unknow
Peak:m/z	Relative Intensity
74.29234	23.5
76.21140	29.4
81.83667	28.1
116.92769	41.5
117.03339	31.1
145.02913	43.5
199.58850	26.0
199.91391	27.7
223.27673	24.9
633.37915	100.0
634.38092	27.8
665.44958	25.9
836.04541	30.0
929.27997	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5541
Annotation	Unknow
Peak:m/z	Relative Intensity
91.61726	65.9
98.44507	66.1
142.24451	59.8
198.75665	63.3
238.49149	57.7
353.67111	64.5
400.21536	60.8
468.67245	73.9
471.34747	81.9
479.54608	64.4
1045.67932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.6424
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02801	0.1
78.95752	0.1
85.02819	0.4
89.02303	0.5
95.01254	0.2
96.95879	0.8
97.05394	0.1
97.06490	0.2
98.20511	0.2
101.02319	0.6
111.08040	0.4
113.02301	0.4
116.92731	0.2
119.03403	0.2
132.08897	0.1
133.02852	0.4
134.03525	0.2
135.04393	0.6
161.02350	0.8
161.04427	0.3
165.12801	0.2
167.87167	0.2
179.03421	0.6
197.11763	2.6
209.11801	0.4
211.13301	0.7
220.85268	0.2
227.12866	0.3
247.20633	0.2
253.09254	5.0
263.20178	0.2
291.19620	2.3
309.20703	9.3
310.21030	0.4
357.26108	0.3
377.28503	0.6
379.30185	0.2
393.31540	0.6
403.26422	0.2
406.28781	0.5
407.29623	0.9
415.14630	0.2
419.29358	0.9
421.31149	0.5
423.32904	0.9
425.30502	0.4
433.20743	0.2
435.28897	0.2
437.30618	0.2
439.32120	0.5
441.33881	1.4
443.31583	1.2
453.30112	0.3
455.31940	0.3
459.34921	0.5
467.31793	1.1
468.32019	0.2
471.31302	0.2
473.32770	0.8
485.32739	15.7
486.33044	2.4
489.32272	0.2
490.32434	0.5
491.33337	0.2
502.32672	0.2
503.33774	100.0
504.34119	13.1
527.28473	0.3
545.29626	2.8
546.30072	0.4
630.00763	0.2
661.38281	0.2
836.46417	0.2
1050.49084	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00449	0.6
59.01252	15.9
70.63751	0.5
72.99180	81.8
73.99530	1.6
75.00746	33.0
103.00244	1.7
105.01819	100.0
106.02192	3.0
106.03980	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	1053.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02828	0.7
75.00743	3.0
75.14837	0.2
83.01254	0.7
84.01997	0.4
84.32870	0.2
85.02822	16.2
87.00743	2.5
89.01826	0.2
89.02314	1.1
95.01262	5.1
99.00755	6.8
102.07924	0.2
103.00256	2.2
107.01286	0.8
111.00774	0.5
113.02330	30.0
114.02679	0.8
115.00278	1.1
117.01808	1.4
119.44888	0.2
121.45562	0.2
128.82393	0.2
129.01805	1.3
130.53113	0.2
132.01952	0.3
133.01303	0.2
133.02892	0.6
134.03632	0.6
139.00296	0.3
148.01538	0.2
151.00282	1.5
157.01352	0.6
161.02257	0.4
171.57404	0.2
175.02396	15.6
176.02675	0.3
179.03401	0.2
183.04416	0.4
199.03943	0.3
211.04034	0.6
212.04716	0.3
218.79588	0.2
227.03400	0.9
239.03427	0.4
255.02853	0.9
256.03735	5.9
257.03989	0.3
268.03729	0.3
269.04431	1.3
271.44946	0.2
283.02472	0.7
284.03250	96.4
285.03632	6.6
288.20200	0.2
297.04135	0.3
298.04718	0.6
299.05594	100.0
300.05960	6.7
308.09106	0.2
341.06616	0.7
371.07715	0.6
445.33514	0.2
475.08798	78.3
476.09201	7.0
476.15088	0.2
477.09445	0.3
577.15735	0.4
1017.01343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.5642
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00735	0.2
79.39617	0.1
83.01256	0.2
83.04899	6.8
85.02813	0.5
89.02323	1.0
95.01296	0.3
97.06500	0.2
101.02323	1.0
102.77626	0.1
107.34830	0.1
113.02357	0.9
119.03392	0.3
133.02852	0.8
135.04428	0.7
137.02316	0.2
161.02390	1.2
162.02940	0.1
179.03386	0.6
190.29486	0.1
213.45471	0.1
251.52469	0.2
257.62064	0.1
285.04062	0.9
305.22733	0.4
323.23718	0.2
339.23465	0.2
363.26898	0.6
369.24689	0.2
375.26801	0.2
379.26553	0.2
381.27789	0.4
387.25436	3.0
388.25665	0.3
391.30228	0.7
405.28036	0.3
409.31201	0.4
417.27896	0.5
423.29303	0.3
435.28964	3.1
436.29645	0.3
443.27927	2.0
444.28629	0.2
446.41599	0.1
453.30185	2.5
454.30325	0.2
461.07422	0.3
461.88882	0.2
469.29620	0.2
471.31174	2.2
472.31653	0.2
497.29083	3.6
498.29330	0.4
503.30145	0.4
515.30115	12.7
516.30518	1.8
557.31213	4.2
558.31403	0.4
591.20630	0.2
617.33179	0.5
677.35382	100.0
678.35736	15.7
711.35059	0.2
1053.43933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.548
Annotation	Unknow
Peak:m/z	Relative Intensity
84.27363	45.8
92.68569	46.9
96.95896	77.0
98.19747	100.0
106.38636	44.3
116.92789	59.6
133.02837	99.3
135.04439	66.3
164.63924	43.8
179.03445	63.4
203.43539	46.7
211.13303	61.1
213.48116	60.8
262.54388	50.4
291.19791	68.5
293.21179	88.0
309.20761	67.5
310.20801	71.5
311.21432	85.7
397.13174	80.7
460.06622	50.8
486.02753	55.7
710.06158	45.3
773.42371	51.1
826.37561	55.8
1060.83203	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95820	12.3
83.41882	10.8
86.69642	11.1
116.92741	26.5
131.29269	12.4
133.02843	17.7
135.04384	23.3
154.16878	12.9
161.02383	18.5
163.04095	12.3
179.03453	16.4
225.11436	11.9
293.21289	81.5
309.20737	21.5
438.10553	13.9
471.34961	100.0
590.39392	26.3
737.41522	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	1064.5648
Annotation	Unknow
Peak:m/z	Relative Intensity
98.19736	24.4
116.92756	62.6
133.02849	51.6
135.04385	97.4
137.02400	25.2
154.47926	21.7
160.40054	22.0
161.02325	100.0
179.03349	57.2
293.21133	31.7
327.21750	50.5
573.49658	26.5
862.21588	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.284
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00757	0.3
77.76958	0.2
81.43350	0.2
83.01266	0.3
85.02823	7.2
87.00744	0.6
89.02322	1.9
89.03846	0.3
94.18369	0.2
95.01255	2.6
95.01830	0.2
95.04905	0.2
99.00747	1.2
101.02312	1.3
103.00249	0.3
105.03339	0.3
107.01280	0.7
107.04855	0.3
108.02018	0.2
108.97279	0.2
109.02850	0.3
113.02332	15.1
114.02654	0.3
115.00224	0.2
115.01784	0.4
116.39212	0.2
117.03346	1.6
119.03435	0.4
119.04915	0.3
121.02837	0.3
123.04430	1.1
129.01779	0.3
132.02049	1.8
133.02846	24.0
134.03612	0.8
135.04411	22.1
136.04749	0.8
137.02350	0.4
143.03445	0.3
145.02905	0.2
149.02350	0.5
151.00304	0.3
151.03905	0.3
153.05463	0.9
159.04335	0.3
161.02347	81.6
162.02672	3.2
169.64540	0.2
175.02406	1.5
179.03413	14.6
180.03807	0.7
181.05034	0.4
181.06474	0.2
183.04442	0.2
197.06070	0.3
225.05545	0.2
233.04520	0.5
251.05618	0.7
269.04544	18.1
270.04874	1.8
271.02536	0.2
284.03183	0.4
285.03888	0.6
297.09790	0.6
299.02017	0.3
299.05447	0.3
300.02863	0.3
300.06030	0.3
314.04407	0.3
315.05069	0.5
315.10782	1.8
323.07312	0.2
327.12479	0.3
445.07712	3.9
446.08038	0.6
447.08093	0.2
461.16605	5.8
462.16904	0.8
479.21640	0.5
487.14581	2.9
488.15024	0.6
621.17896	0.3
622.18439	0.7
623.19788	100.0
624.20129	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	1069.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00729	0.1
83.01259	1.5
85.02829	2.1
87.00758	0.4
89.00210	0.1
89.02305	1.1
90.72713	0.1
93.03344	0.4
95.01261	0.9
95.28008	0.1
99.00758	4.9
101.02339	0.7
105.03342	0.2
106.08824	0.1
107.01263	1.4
113.02330	4.0
115.00252	1.1
117.03345	3.2
119.03391	0.2
121.02861	0.2
121.10139	0.2
131.03403	0.6
132.45375	0.1
133.01320	0.3
133.02812	0.2
135.04462	0.2
139.00230	0.1
143.03499	0.1
148.78558	0.1
149.02330	1.0
149.04446	0.3
151.00264	0.9
154.20512	0.1
154.50482	0.1
157.06508	0.2
159.04424	1.5
161.02347	1.2
161.04462	0.3
165.09103	0.2
169.06483	0.5
175.02394	0.3
180.05716	0.2
181.06500	0.4
183.04442	0.7
191.05482	0.8
196.05226	0.4
197.06017	0.6
199.04041	0.2
201.05568	0.8
203.03343	0.2
207.85069	0.1
213.05554	0.2
224.04678	0.2
225.05498	1.4
227.03448	0.5
233.06720	0.2
253.05075	0.2
268.03778	1.8
269.04541	100.0
270.04883	5.6
271.02576	0.1
281.04468	0.5
283.06079	0.4
285.04141	0.3
300.02805	0.1
301.03433	0.2
303.07184	0.5
311.05655	0.7
321.08237	3.1
323.05576	0.3
345.15457	0.2
427.06750	0.3
438.37714	0.1
447.09253	0.1
457.11481	0.3
477.19757	16.2
478.20120	1.4
505.10190	0.2
529.13513	0.7
529.20392	0.1
531.20038	0.1
547.14563	0.2
591.13544	52.7
592.13904	5.3
623.19672	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
78.57639	0.3
83.01263	0.8
85.02824	1.1
87.00729	0.5
92.19263	0.3
95.01279	0.5
96.35152	0.3
98.20692	0.4
99.00761	1.0
107.01270	3.3
108.02075	0.6
109.02865	1.1
113.01628	0.3
113.02299	1.3
119.37137	0.3
121.02835	1.4
125.02310	0.4
133.02858	3.7
135.00800	0.5
140.73993	0.3
148.01561	0.8
149.02328	0.9
151.00273	8.3
163.00261	1.7
164.01170	0.4
169.01329	0.9
175.03920	1.4
178.99786	3.5
185.05952	0.4
189.05490	0.3
190.02728	0.4
190.99962	0.3
193.01324	0.3
199.03931	1.7
200.04675	0.3
201.01842	0.5
201.05562	0.3
203.03375	0.3
211.03960	0.8
213.05273	0.4
215.03508	0.6
217.05087	0.9
226.02759	0.8
227.03391	2.2
229.04965	0.7
229.88039	0.3
239.03560	0.4
241.04945	0.6
243.02983	7.0
244.03590	0.7
245.04527	0.9
254.02121	1.7
255.02971	16.0
256.03369	1.2
257.04514	0.6
266.13171	0.3
271.02481	37.8
272.02948	3.0
273.03848	0.6
283.02515	0.9
284.03201	0.6
285.04034	66.6
286.04370	4.4
299.01938	1.1
299.05133	0.3
300.02744	74.9
301.03470	28.6
302.03815	1.3
327.05154	1.0
343.04626	0.8
357.05902	0.3
461.07248	29.0
462.07562	2.8
609.14581	100.0
610.14917	10.5
636.56061	0.3
959.40765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00735	0.3
77.03844	0.1
83.01243	0.6
85.02830	1.9
87.00755	0.4
89.02319	0.3
93.03340	0.4
95.01266	0.7
99.00766	0.8
101.02307	0.4
105.03363	0.5
107.01289	1.3
108.02084	0.2
109.02852	0.9
113.02333	1.6
115.00220	0.3
117.01830	0.2
117.03350	0.3
119.04900	0.3
121.02847	1.0
123.04419	0.4
129.01823	0.2
132.02066	0.7
133.02846	10.8
134.03430	0.4
135.04407	4.4
136.04730	0.2
137.02335	0.7
139.03925	0.3
139.93294	0.1
143.04962	0.1
145.02858	0.4
147.04471	0.3
148.01526	0.3
149.02351	3.9
150.03075	0.5
151.00266	3.4
151.03911	0.7
155.04890	0.2
157.02878	0.1
159.04323	0.2
161.02350	15.8
162.02727	0.4
163.03889	0.5
165.01836	0.5
167.03418	0.4
169.01434	0.2
169.06508	0.2
171.04440	0.4
173.06044	0.2
175.02455	0.2
175.03911	2.3
177.01833	0.4
177.05481	0.2
178.02591	0.3
179.03409	3.3
180.03793	0.2
183.04465	0.1
185.06053	0.3
187.03900	0.2
189.05478	0.3
191.03400	0.6
193.04860	0.1
195.04378	0.1
197.06029	0.4
198.03108	0.4
199.03941	2.0
201.01913	0.9
201.05547	0.2
203.03461	0.3
211.03951	0.2
213.05479	0.5
215.03441	0.5
217.05022	1.3
227.03416	0.3
229.05002	0.4
233.04572	0.3
239.03436	0.2
240.04231	0.3
241.05043	1.1
242.02144	0.3
243.02974	0.7
244.03160	0.2
255.02974	9.0
256.03619	1.4
257.04593	0.5
267.03131	0.3
269.04422	0.2
275.05725	0.1
283.02481	5.6
284.00079	0.2
284.03229	3.9
285.04028	100.0
286.04385	5.9
297.04050	0.7
298.04633	0.3
299.05600	0.4
305.06760	0.2
311.07886	1.0
327.05115	1.4
328.05255	0.2
339.05069	0.1
345.07706	0.2
355.04510	0.1
357.06049	0.7
357.88181	0.1
369.06174	0.2
381.06024	0.2
389.06470	0.2
399.06763	0.3
417.06183	0.5
441.17682	0.2
443.06177	0.8
452.14923	0.1
457.13419	0.6
459.15414	0.2
459.41989	0.2
461.07248	21.9
462.07645	1.9
469.13644	1.1
519.32587	0.2
619.16644	13.4
620.17004	1.4
621.18048	2.0
622.18335	0.2
623.20087	0.2
743.17731	0.3
748.55548	0.2
901.20667	0.2
905.21448	3.3
906.21582	0.5
919.21460	9.2
920.21552	1.5
932.17529	0.1
1063.24207	0.3
1081.24561	19.8
1082.24866	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	1083.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00740	0.6
83.01246	0.5
85.02831	2.2
87.00776	0.6
89.02310	0.3
93.03352	0.2
95.01274	0.8
99.00765	0.8
99.26565	0.1
101.02318	0.2
103.00217	0.2
105.03329	0.4
107.01268	1.5
109.02866	0.6
111.00714	0.1
113.02334	2.1
115.00250	0.2
117.01859	0.2
117.03342	0.1
119.04908	0.3
121.02852	0.6
123.04401	0.6
125.02306	0.1
127.99706	0.1
129.01834	0.2
132.02080	0.3
133.02844	7.8
134.03593	0.2
135.04416	4.6
136.04686	0.2
137.02306	0.6
143.04884	0.2
145.02861	0.2
147.04425	0.2
149.02342	1.6
150.03099	0.2
151.00270	3.3
151.03873	0.8
161.02359	4.9
162.02708	0.4
163.03934	0.2
167.04959	0.1
169.06563	0.1
171.04384	0.3
172.57565	0.1
173.06017	0.2
175.02405	0.4
175.03888	2.4
176.04404	0.1
177.01851	0.3
179.03421	3.9
180.03789	0.1
185.06024	0.3
187.03896	0.2
189.05490	0.2
197.06003	0.4
198.03136	0.3
199.03928	2.0
201.01868	0.6
211.03960	0.3
213.05508	0.6
215.03418	0.5
217.05008	1.3
223.03952	0.1
226.02654	0.1
229.04959	0.3
239.03288	0.2
240.04158	0.2
241.04974	0.8
242.05406	0.1
243.03032	1.0
253.05031	0.1
255.02956	0.4
257.04486	0.4
267.02942	0.4
268.03622	0.2
271.02716	0.2
283.02448	0.3
284.03250	0.9
285.04034	100.0
286.04398	5.8
286.06903	0.1
286.07764	0.1
297.04114	0.5
299.05469	0.3
327.05011	1.5
339.05121	0.2
355.04553	0.3
357.06009	1.1
369.06247	0.3
381.06192	0.3
461.07242	63.0
462.07581	4.5
479.08502	0.2
487.14563	0.5
499.90848	0.1
505.13107	0.2
621.18164	3.6
622.18347	0.4
623.19824	0.3
731.24988	0.1
907.22253	0.2
1083.28979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00741	3.0
75.82940	0.2
83.01257	0.7
84.02029	0.3
85.02824	15.4
87.00757	2.5
89.02324	1.1
89.02777	0.2
91.77112	0.2
93.03341	0.5
95.01263	5.0
96.39580	0.2
97.34695	0.2
99.00761	5.7
101.02334	0.7
103.00249	2.4
107.01273	0.7
111.00793	0.4
113.02333	30.6
114.02688	0.6
115.00259	1.2
117.01831	1.6
117.03306	0.2
119.04923	0.4
125.02398	0.2
129.01839	1.4
132.02071	0.9
133.02843	7.8
134.03664	0.5
135.04408	2.0
137.02365	0.9
139.00246	0.7
139.87921	0.2
148.01575	0.2
149.02397	0.3
151.00287	1.4
157.01349	0.6
161.02354	17.5
162.02695	0.7
175.02403	13.5
176.02696	0.3
177.01851	0.3
179.03362	1.0
183.04472	0.2
187.03973	0.2
199.04016	0.2
200.04759	0.3
201.85924	0.2
211.03903	0.5
212.04794	0.4
227.03476	0.8
239.03450	0.5
241.10304	0.2
255.02950	0.7
256.03748	5.5
269.04642	0.3
271.02386	0.3
283.02380	0.6
284.03259	91.7
285.03790	9.0
297.04166	0.4
298.04715	0.5
299.05603	100.0
300.02609	0.3
300.05920	5.7
315.05203	0.4
327.05212	0.2
341.06711	0.7
371.08160	0.4
461.07175	0.9
475.08820	86.7
476.09180	6.2
505.10153	0.3
513.19763	0.6
545.11792	0.2
607.20428	12.1
608.20978	1.2
621.18256	0.8
696.47644	0.2
891.17639	0.3
1083.33008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
75.54993	0.4
77.13747	0.4
78.95777	29.4
89.67970	0.4
94.93077	0.4
101.13532	0.4
104.97359	1.0
105.01819	0.6
110.98418	15.1
126.27829	0.6
155.67583	0.6
167.01057	13.9
173.69925	0.4
185.02167	4.0
188.16771	0.4
205.55458	0.5
220.47861	0.5
259.20599	1.1
267.93188	0.5
275.19916	0.6
277.21722	100.0
278.22061	4.9
289.74850	0.5
445.23596	67.5
446.23859	3.7
571.24542	0.5
572.15320	0.6
641.22339	0.7
673.72668	0.5
809.23724	0.6
1087.46765	31.8
1088.47168	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	1089.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01258	1.5
84.06760	0.1
85.02823	1.5
87.00759	0.3
89.02352	0.1
93.03345	0.3
95.01270	0.6
99.00768	0.4
101.02322	0.4
103.00201	0.1
105.03382	0.1
107.01273	1.1
109.89222	0.1
113.02329	3.1
115.00259	1.0
115.42820	0.1
116.65427	0.1
117.03348	2.9
117.04185	0.2
118.03700	0.2
119.82470	0.1
121.02851	0.2
131.03394	0.3
133.01306	0.3
133.02892	0.1
135.04460	0.3
137.02336	0.1
149.02357	0.9
150.37718	0.1
151.00247	0.8
155.04895	0.1
157.06479	0.1
157.41978	0.1
159.04420	1.2
159.21156	0.1
160.03946	0.2
161.02336	1.0
169.06471	0.5
171.04514	0.1
173.06030	0.2
175.02415	0.2
179.03568	0.1
181.06531	0.4
182.03671	0.1
183.04390	0.6
196.05252	0.2
197.06035	0.7
199.03970	0.2
201.05467	0.6
203.03447	0.1
213.05545	0.1
224.04712	0.3
225.05533	1.1
227.03424	0.5
233.06560	0.2
241.04865	0.1
253.05077	0.2
268.03775	1.8
269.04544	100.0
270.04871	6.2
271.05273	0.1
281.04373	0.4
282.05466	0.1
283.06155	0.3
285.04108	0.2
290.08231	0.1
303.07309	0.5
311.05576	0.7
321.08240	3.1
322.08679	0.2
323.05569	0.2
427.06696	0.5
457.11563	0.3
477.19760	0.1
496.12485	0.2
497.13052	0.1
499.45642	0.1
529.13501	0.6
547.14539	0.2
591.13544	43.7
592.13873	4.9
592.23492	0.1
593.14270	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01256	0.7
85.02815	4.9
89.02321	2.0
91.74734	0.3
95.01282	1.9
98.19846	0.7
98.91296	0.4
99.00774	3.9
101.02332	1.3
103.03847	0.3
106.11729	0.3
107.12163	0.4
113.02334	11.1
117.03339	0.7
123.04414	0.9
132.02069	2.7
133.02852	30.7
134.03491	0.8
135.04411	14.7
136.04745	0.4
143.03334	0.4
145.02838	0.6
153.05481	1.2
161.02351	96.5
162.02701	4.2
175.03947	0.4
175.26170	0.3
179.03423	4.1
180.03883	0.3
183.25072	0.3
191.05444	0.4
209.11763	0.8
219.06854	0.4
233.04465	0.4
297.09760	0.6
314.91223	0.4
315.10873	1.5
376.40100	0.4
455.16754	1.4
461.16702	5.7
473.17154	1.3
477.19824	8.5
478.20407	0.9
566.80359	0.4
621.18427	0.7
623.19788	100.0
624.20105	12.7
624.30292	0.7
625.20215	0.5
970.39844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.5648
Annotation	Unknow
Peak:m/z	Relative Intensity
83.84023	0.2
85.19737	0.2
99.92430	0.3
105.08723	0.2
116.92739	0.8
120.87823	0.2
145.43922	0.2
163.60477	0.2
272.83710	0.2
304.52039	0.2
315.16873	0.2
322.97125	0.2
391.30145	0.2
437.12366	0.5
438.13135	0.6
439.13727	0.3
439.51630	0.2
451.13681	0.8
452.14905	2.4
453.15244	0.5
453.33661	0.3
455.17075	0.2
461.81195	0.2
465.16132	0.6
465.92712	0.2
466.16391	0.8
467.17038	0.4
470.11578	0.2
471.34802	0.4
479.17883	1.0
480.14679	0.7
481.15045	6.7
482.15607	0.8
484.13882	0.4
493.15399	1.5
494.15790	0.8
495.16800	12.3
496.17209	2.2
497.17798	0.3
498.15231	0.4
507.17032	0.8
508.17767	2.2
509.18738	1.2
510.17529	0.3
511.16611	0.2
512.13037	1.3
513.13654	0.3
518.15912	0.3
519.17017	0.3
521.14612	0.6
522.14569	0.4
523.16565	1.1
524.17511	0.4
526.14984	0.8
527.14343	0.3
530.14258	0.3
533.18408	0.7
535.16400	1.9
536.16925	2.6
537.17230	0.4
539.15759	0.7
540.16956	3.0
541.16681	0.4
551.19397	43.1
552.19629	7.9
552.28314	0.4
553.18970	1.4
554.18384	2.0
555.18634	1.4
567.18866	0.5
568.15912	0.9
569.16608	0.3
572.15417	3.8
573.15826	0.6
583.22290	0.4
585.19440	0.2
586.17108	4.1
587.17407	0.6
595.18158	1.3
596.18628	0.2
600.18365	0.3
627.20978	100.0
628.21246	18.2
629.21216	2.4
630.21381	0.2
647.41418	0.2
671.14624	0.2
1099.55859	1.3
1100.56226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.619
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95777	8.7
83.04897	0.2
85.99950	0.1
86.61004	0.1
96.95895	0.2
99.92477	0.3
104.97369	0.4
110.98418	5.5
116.92747	1.1
127.07509	0.3
137.00066	0.1
152.99496	0.4
167.01059	3.7
168.67014	0.1
185.02127	4.1
217.42937	0.1
222.20610	0.1
233.22772	0.5
245.54164	0.1
259.20657	0.5
275.20093	0.5
277.21716	100.0
278.22058	6.3
321.20313	0.1
445.23596	66.2
446.23962	5.6
446.30545	0.2
471.34781	0.3
784.88727	0.1
814.24915	0.1
830.24573	0.1
921.09863	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	1103.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95777	12.1
88.98682	0.5
90.39773	0.3
98.19737	0.4
99.92512	0.4
101.17741	0.3
109.51073	0.3
110.98421	6.0
116.92741	0.9
137.00031	0.3
152.99463	0.9
167.01088	3.4
185.02107	4.1
195.13881	0.3
233.22673	0.4
259.20749	0.8
275.20059	0.4
277.21722	100.0
278.22079	5.6
445.23611	32.8
446.23880	2.0
599.21741	0.8
607.38293	0.3
657.21533	0.5
707.32086	0.3
789.41241	0.3
825.24316	0.9
826.96667	0.3
935.44574	3.9
936.45837	0.7
1017.14825	0.4
1103.46362	33.0
1104.46667	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	1105.7348
Annotation	Unknow
Peak:m/z	Relative Intensity
77.04523	0.2
88.98724	0.2
89.03839	0.2
92.85241	0.2
96.95889	3.0
98.95478	0.4
110.14595	0.2
116.92728	0.3
117.03348	15.7
118.03731	0.3
119.04919	6.8
119.94650	0.2
120.05256	0.2
121.02853	0.8
133.02856	0.2
145.02855	47.5
146.03197	1.7
162.03175	0.4
163.03928	5.1
219.56950	0.2
222.99028	0.2
265.14737	3.0
265.17322	0.3
266.15216	1.0
267.14627	0.7
407.33289	0.3
451.31931	0.4
453.34311	0.2
469.33411	0.9
470.33499	0.2
471.34784	15.1
472.35239	1.9
513.32898	0.4
571.37946	0.8
589.38922	3.3
590.39276	0.6
615.36926	2.5
616.37756	0.4
633.37921	100.0
634.38275	18.4
635.38470	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01253	1.5
85.02820	1.4
87.00742	0.3
93.03329	0.4
93.68700	0.1
95.01277	0.6
99.00751	0.5
101.02319	0.3
107.01259	1.3
113.02335	2.5
114.88023	0.1
115.00260	0.9
117.03348	3.1
117.04191	0.2
118.03711	0.1
119.03416	0.1
121.02822	0.2
121.32252	0.1
131.03400	0.4
133.01338	0.3
133.02867	0.2
135.04404	0.4
149.02342	1.2
151.00262	0.8
159.04430	1.5
161.02370	1.0
169.06474	0.5
171.21046	0.1
173.05992	0.2
175.02379	0.2
179.03387	0.1
180.05659	0.2
181.06494	0.5
183.04440	0.7
196.05197	0.4
197.05981	0.6
201.05525	0.5
203.03391	0.2
224.04814	0.3
225.05516	1.6
227.03442	0.5
233.06430	0.1
241.04962	0.2
253.05154	0.2
268.03748	1.8
269.04541	100.0
270.04877	5.8
281.04556	0.7
283.06219	0.3
303.07242	0.6
311.05582	0.7
321.08240	3.6
322.08624	0.2
323.05603	0.3
427.06787	0.5
457.11304	0.2
529.13275	0.6
547.14716	0.3
591.13544	67.6
592.13861	6.1
713.89728	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	111.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	20.7
66.54866	1.4
67.01759	20.8
68.99699	1.7
69.03313	1.5
71.01255	4.9
78.95779	100.0
82.53854	2.0
83.01258	55.4
83.04882	1.8
84.01598	2.4
84.04431	3.7
99.31609	1.4
110.97449	5.7
111.00762	53.6
111.01904	2.2
111.04407	7.2
112.01122	3.2
112.03909	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	1111.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
77.19938	0.3
83.01286	0.6
85.02818	2.8
87.00736	0.5
89.02316	0.5
89.03820	0.3
95.01289	0.9
98.20655	0.6
98.89771	0.3
99.00742	1.0
101.02308	0.5
107.01266	1.2
113.02322	3.6
115.00216	0.3
117.03332	1.0
119.04935	0.4
125.02290	0.6
132.02057	2.8
133.02841	1.2
134.03629	6.3
135.04326	0.4
137.02312	0.4
139.05460	0.3
145.02803	0.4
148.80028	0.3
149.02257	0.3
149.05968	0.8
151.00285	2.6
152.04630	0.3
155.04962	0.7
159.04356	0.7
160.01573	5.7
161.02354	1.4
171.04436	0.3
175.02483	0.6
175.03902	5.2
178.02753	0.3
179.03391	0.3
182.03516	0.3
183.04443	1.7
185.02246	0.8
187.03922	0.7
188.04610	0.4
193.05002	4.9
199.03914	1.0
211.03925	1.0
213.01720	0.4
227.03464	2.3
228.04027	0.4
255.02960	100.0
256.03671	24.7
257.04141	1.0
269.04379	0.5
281.04462	0.3
282.05170	0.4
283.02463	64.1
284.03229	53.6
285.03842	5.3
297.03931	1.9
298.04868	0.8
326.04486	0.4
339.04913	0.4
398.05853	0.4
399.07144	0.5
418.06976	0.9
433.09409	3.3
446.85876	0.3
459.05814	0.5
474.08182	0.7
475.08524	0.6
637.21423	0.7
651.23163	0.5
759.21246	3.6
760.21643	0.8
935.26038	60.5
936.26434	13.5
936.41718	0.2
1093.27209	1.4
1094.27930	0.6
1111.29297	35.9
1112.29504	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	1111.576
Annotation	Unknow
Peak:m/z	Relative Intensity
78.98466	3.1
79.95229	0.1
79.95606	4.8
80.96391	31.5
81.03316	0.2
83.01250	0.2
85.02817	1.3
87.00744	1.3
94.97961	8.0
95.01265	0.3
96.95857	0.8
97.02805	0.9
99.00758	0.2
99.04404	0.2
101.02319	1.4
101.70985	0.1
106.97974	1.4
107.51384	0.1
108.55231	0.2
113.02321	0.2
122.97481	1.8
125.02327	1.6
127.03926	0.5
134.97484	3.0
136.99002	0.8
145.03023	0.2
148.99046	3.3
150.97017	0.2
152.98537	3.1
159.15349	0.2
164.98543	6.6
179.00143	0.2
180.98010	0.2
185.50810	0.2
188.98579	0.2
206.99666	1.4
221.93242	0.2
225.00700	12.1
226.00943	0.4
228.94724	0.2
255.23289	1.7
270.24130	0.1
299.04434	3.0
357.42032	0.2
555.28418	100.0
556.28760	9.6
638.09283	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
79.61563	0.1
83.01236	0.4
85.02824	2.3
87.00766	0.7
89.02305	0.4
93.20303	0.1
95.01270	0.7
98.20620	0.2
99.00756	1.0
103.00248	0.2
105.03300	0.3
107.01277	1.5
109.02840	0.7
111.00750	0.1
113.02322	2.4
115.00207	0.2
117.01782	0.2
117.03362	0.2
121.02821	0.8
122.03577	0.1
123.04434	1.3
132.02071	0.7
133.02846	11.5
134.03487	0.4
135.04413	5.9
137.02345	0.1
143.04868	0.1
147.04459	0.2
149.02345	1.9
150.03168	0.8
151.00270	4.1
151.03908	2.3
152.80542	0.1
161.02353	12.7
161.04482	0.3
162.02686	0.5
163.00316	0.1
169.06499	0.2
171.04416	0.4
173.02252	0.1
173.05966	0.2
175.02557	0.2
175.03925	3.0
177.01840	0.4
177.05508	0.1
179.03421	6.3
179.83060	0.1
180.03799	0.2
185.05978	0.5
189.05472	0.3
197.06024	0.4
198.03136	0.4
199.03944	2.4
200.04143	0.1
201.01878	0.8
211.03925	0.3
212.04655	0.2
213.05515	0.6
215.03375	0.5
217.05043	1.3
223.04001	0.2
229.05078	0.2
230.87572	0.1
239.03442	0.4
240.04178	0.3
241.04958	0.8
243.02994	0.8
255.03130	0.2
256.03488	0.2
257.04532	0.5
267.03018	0.2
268.03751	0.1
282.76846	0.1
283.02374	0.2
284.03186	0.6
285.04031	100.0
286.04391	5.4
287.04666	0.1
297.04047	0.5
298.04654	0.2
327.05078	1.4
357.06100	1.1
369.06320	0.3
381.06000	0.3
459.15277	0.2
461.07254	49.8
462.07581	3.7
487.14706	0.7
521.99768	0.1
582.45258	0.1
621.18256	6.7
622.19006	0.6
653.20831	13.8
654.21216	1.5
663.19537	0.1
1061.09692	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	1117.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01257	0.7
85.02814	3.6
85.08290	0.5
89.02325	1.4
93.03323	0.8
95.01260	0.9
99.00744	1.2
101.02317	0.5
105.03325	1.1
107.01254	1.4
107.04887	0.5
107.33895	0.5
108.02067	0.6
109.02834	1.6
113.01540	0.5
113.02332	8.4
115.01759	0.6
117.03341	1.2
119.03352	0.5
121.02849	1.6
122.03700	0.6
123.04395	8.3
124.47550	0.4
132.02043	3.8
133.02847	36.9
134.03749	2.2
135.04408	38.0
136.04736	1.1
137.02338	1.0
148.01588	0.7
149.02345	1.2
150.03117	5.6
151.00291	5.2
151.03909	18.2
152.04274	0.5
161.02344	100.0
161.26837	0.5
161.42984	0.5
162.02686	4.2
163.00267	1.3
163.03929	1.2
165.05467	0.5
175.03912	1.1
179.00011	2.1
179.03404	52.8
180.03740	1.7
201.05431	0.7
201.41225	0.5
203.03458	1.3
205.04858	0.7
208.07555	0.4
211.03949	0.9
213.41977	0.5
217.04861	0.5
227.03368	1.2
229.05031	0.5
243.02937	5.8
245.04448	0.8
254.02164	1.1
255.02965	13.2
256.03354	1.4
271.02463	29.7
272.02908	3.2
275.51508	0.5
283.02274	0.7
285.04025	3.2
286.04330	1.5
299.01947	2.2
300.02719	43.3
301.03384	18.5
302.03751	2.2
303.03900	0.5
434.50165	0.4
434.72552	0.4
459.15054	2.4
461.07129	1.2
462.07687	1.2
463.08804	33.4
464.09122	5.5
465.09155	1.3
469.13971	0.5
487.14505	6.4
488.14783	0.8
491.16928	0.6
526.01013	0.4
621.18207	63.7
622.18524	11.1
652.19910	0.7
653.20813	96.0
654.21136	15.4
719.55951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95773	63.6
96.96837	5.0
98.19839	0.4
105.12018	0.2
120.27773	0.2
123.71660	0.2
150.97939	1.1
152.99484	70.9
153.99797	0.9
171.00549	19.2
172.00920	0.2
192.68822	0.2
227.03197	3.4
227.29530	0.2
245.04280	79.2
246.04668	1.2
253.21701	38.9
254.22098	1.7
277.21713	0.9
438.60266	0.2
445.23663	1.2
481.25693	100.0
482.26093	7.2
676.71362	0.2
795.22626	1.3
895.44513	0.9
1123.48987	16.8
1124.49268	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	1125.7307
Annotation	Unknow
Peak:m/z	Relative Intensity
78.07738	0.1
78.95790	0.1
81.03336	0.1
81.14363	0.1
83.01245	0.5
85.02820	0.9
87.00751	1.1
89.02319	3.2
95.01255	0.3
96.19741	0.1
96.24931	0.1
97.02845	0.8
99.00747	0.3
101.02325	4.0
109.02848	0.1
111.04400	0.1
113.02331	2.1
113.03078	0.2
119.03385	1.0
125.02351	1.9
131.03398	0.3
133.04956	0.2
135.91629	0.1
139.03903	0.1
139.18811	0.1
141.01717	0.1
143.03410	0.8
149.04486	0.2
157.51434	0.1
161.04477	1.0
169.04991	0.1
179.05521	0.9
185.04524	0.2
199.06114	0.1
217.07016	0.1
221.06625	0.3
234.07037	0.1
235.08200	2.5
253.09328	0.4
255.23271	13.2
256.23523	0.7
263.07687	0.2
269.24753	0.1
276.49359	0.1
277.09195	0.1
277.21756	0.3
287.07745	0.9
302.76523	0.1
305.08780	1.2
323.09705	0.3
334.48984	0.1
379.12421	0.2
393.31555	0.2
397.13495	37.7
398.13892	1.9
402.42725	0.1
403.30093	0.1
411.33102	0.1
415.14581	9.8
416.14938	0.6
423.32681	0.3
471.34787	100.0
472.35129	11.5
589.66260	0.1
653.37549	11.8
654.37927	1.3
1101.51294	0.1
1125.74292	0.4
1126.74023	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	1135.6394
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95778	25.6
89.35789	0.3
96.96851	2.5
119.53809	0.4
126.23178	0.3
150.97929	0.7
152.99496	37.8
153.99841	0.3
171.00563	7.9
202.54732	0.3
227.03197	3.0
245.04295	41.3
246.04666	0.9
253.21713	44.9
254.21991	1.8
277.21713	0.7
288.59851	0.3
409.31042	0.7
455.31610	0.6
471.34982	1.6
477.09897	0.4
481.25739	100.0
482.26083	8.3
588.18439	0.3
669.09277	0.4
1135.55603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95775	60.7
96.96845	3.4
133.02841	0.6
133.94850	0.4
135.04402	1.7
144.09335	0.4
150.97945	0.9
152.99490	61.4
153.99812	0.8
159.49927	0.5
161.02364	1.7
171.00555	18.3
174.59415	0.4
179.03404	2.0
179.65077	0.4
191.20961	0.4
197.23615	0.4
214.26817	0.4
227.03152	3.2
245.04288	80.6
246.04596	1.3
253.21703	41.9
254.22072	1.7
255.23283	0.7
277.21713	1.4
279.85141	0.4
280.44720	0.4
291.34229	0.4
349.27441	1.6
401.32925	0.5
445.23715	0.7
481.25723	100.0
482.26010	7.2
517.29608	1.0
621.18170	2.0
675.79059	0.4
748.67596	0.5
811.22430	1.4
847.31006	0.5
911.44281	0.9
1010.35333	0.5
1139.48364	23.5
1140.48340	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	1143.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
81.39211	0.2
83.01257	2.3
85.02824	15.1
86.03154	0.1
87.00748	3.2
89.02317	2.3
93.03358	0.1
95.01269	3.7
95.49348	0.1
97.02837	0.4
99.00759	5.8
100.01084	0.2
101.02324	2.5
103.00256	3.9
107.01293	0.4
111.00769	0.5
113.02332	22.2
114.02655	0.5
115.00250	1.9
117.01839	1.3
117.03323	1.2
119.03458	0.2
121.02846	0.1
129.01837	1.2
131.03407	1.6
133.01334	0.8
139.00218	0.4
149.02354	0.5
151.00288	0.6
157.01320	1.2
159.04436	0.3
161.02361	0.2
163.02422	0.4
175.02402	4.6
181.06497	0.3
183.04570	0.2
193.03470	10.3
194.03796	0.3
196.05359	0.1
197.05946	0.2
201.05510	0.3
225.05489	0.5
227.03543	0.3
235.04495	0.9
263.03876	0.2
268.03717	0.2
269.04553	20.9
270.04929	1.3
274.17221	0.2
278.70923	0.1
281.04810	0.2
281.51440	0.2
283.05942	0.3
285.04047	0.2
289.05664	1.7
290.06195	0.2
307.06628	0.4
311.05655	0.6
333.04694	1.2
351.05670	100.0
352.06027	5.4
353.05835	0.2
389.03088	0.2
487.08862	1.3
555.21265	0.2
603.09729	0.4
621.10968	33.7
622.11237	4.0
622.20770	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.6601
Annotation	Unknow
Peak:m/z	Relative Intensity
89.75046	0.3
92.84035	0.3
93.76218	0.3
99.91453	0.3
110.98415	45.5
133.02898	0.4
139.77829	0.3
147.11731	0.3
152.99487	5.1
161.02348	0.7
167.01094	1.5
185.02130	100.0
186.02512	1.3
190.22887	0.3
253.21707	30.7
254.22043	1.9
255.23447	1.5
304.20197	0.3
343.42105	0.4
421.23611	38.6
422.23972	2.3
423.25177	0.8
687.21863	0.3
769.59607	0.3
1143.58057	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.6939
Annotation	Unknow
Peak:m/z	Relative Intensity
86.54900	0.1
88.03074	0.1
89.03844	0.2
93.03328	0.2
96.95878	0.1
117.03352	17.9
118.03661	0.5
119.04916	10.2
120.05267	0.3
121.02838	0.9
123.04393	0.3
127.15703	0.1
129.13438	0.1
133.02853	0.2
134.03665	0.1
135.04413	0.1
142.74979	0.1
145.02856	52.1
146.03200	1.8
147.04401	0.1
162.03113	0.4
163.03918	7.6
164.04233	0.2
253.09151	0.1
265.82135	0.0
277.21771	0.7
284.76685	0.1
409.31079	0.1
451.32068	0.2
469.33136	0.7
470.33655	0.1
487.34503	0.1
492.03357	0.1
495.31299	0.2
513.32062	0.4
569.36230	0.2
571.37866	1.2
572.38171	0.2
573.35541	0.3
574.36298	0.1
587.37512	0.2
588.37836	0.1
589.38922	3.6
590.39441	0.6
615.36914	2.8
616.37396	0.4
633.37909	100.0
634.38275	15.2
634.49750	0.1
675.21619	0.2
1179.59570	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	115.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33809	1.0
51.21938	1.1
58.00483	1.0
59.01263	6.0
70.66200	2.3
71.01254	100.0
71.04899	1.8
72.01586	2.9
73.03912	1.2
87.00742	3.7
92.85924	1.3
115.00243	11.1
116.00592	1.1
116.07058	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	1153.7404
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01275	0.5
85.02823	1.9
87.00779	0.2
87.68938	0.2
89.02328	0.8
90.10347	0.2
95.01268	0.2
99.00792	0.5
101.02325	3.5
101.02922	0.3
113.02337	1.4
117.03304	0.2
119.03423	0.5
125.00875	0.2
125.41273	0.2
133.02840	0.4
135.04451	0.3
138.28030	0.2
159.02905	0.2
161.02388	0.6
161.04480	0.5
161.96284	0.2
164.72545	0.2
179.03418	0.6
187.67972	0.2
212.99443	0.2
246.55243	0.2
274.49930	0.2
316.55801	0.2
367.26706	0.2
377.28458	0.3
387.28900	0.3
391.30093	0.2
393.31677	0.7
401.28448	0.3
403.30389	0.2
407.29385	0.4
409.31512	0.2
419.29407	0.5
421.31213	0.8
423.32858	1.4
424.33521	0.2
425.34521	1.0
437.30579	0.4
439.32217	0.5
441.33752	0.4
443.31561	1.7
453.29861	1.2
457.33432	0.3
458.33572	0.2
459.34848	0.9
469.33340	3.0
471.30954	0.5
473.32529	0.3
479.24139	0.2
485.32730	15.3
486.33194	2.0
501.31805	0.3
502.32678	0.2
503.33780	100.0
504.34152	12.7
505.34482	0.3
631.39020	0.4
648.38110	0.3
649.39539	75.3
650.39899	10.4
788.75836	0.2
928.46942	0.2
1153.73633	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01255	2.4
84.02060	0.2
85.02823	16.7
86.03184	0.4
87.00751	3.6
89.02323	2.1
95.01265	4.0
97.02837	0.4
99.00758	6.4
101.02325	2.9
103.00251	4.5
107.01308	0.4
111.00766	0.5
113.02330	22.7
114.02679	0.6
115.00246	1.4
117.01820	1.4
117.03360	1.2
118.67527	0.2
125.02340	0.2
129.01826	1.8
131.03377	1.8
133.01334	1.0
139.00229	0.5
149.02348	0.7
151.00293	0.8
157.01358	1.2
159.04463	0.3
161.02370	0.6
163.02443	0.3
175.02397	4.8
183.04524	0.3
193.03464	10.3
194.03856	0.3
201.05733	0.2
225.05482	0.6
235.04561	0.8
260.63083	0.2
263.04111	0.4
268.03851	0.4
269.04544	22.1
270.04822	1.2
283.06149	0.3
289.05728	1.5
307.06671	0.4
311.05658	1.1
333.04593	1.2
351.05667	100.0
352.06009	5.7
353.06192	0.3
487.08984	1.1
515.21301	0.8
603.10522	0.3
621.10968	30.8
622.11395	3.4
639.20294	0.3
670.29114	0.2
1074.62634	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.6832
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03313	0.2
83.04907	0.4
85.02836	0.4
87.00782	0.3
89.02331	0.3
95.04921	0.2
97.02851	0.7
97.06480	0.4
99.00747	0.2
101.02325	0.9
106.64628	0.1
109.06469	1.9
113.02354	0.5
125.02342	0.2
125.05961	0.2
125.09608	0.2
133.02904	0.2
135.04424	0.2
135.08069	0.3
136.05235	0.2
137.09740	0.2
142.02646	0.2
145.05025	0.2
161.02432	0.2
161.04482	0.4
161.09729	0.1
163.11192	1.6
167.10716	0.3
171.10234	0.2
179.03381	0.3
179.05547	0.2
179.10718	0.2
179.14268	0.4
181.12297	0.3
185.11819	0.3
189.09134	0.2
195.13823	1.4
196.11678	0.2
205.12288	1.4
205.15961	0.3
207.10199	7.6
223.13345	12.5
224.13733	0.4
225.11269	3.3
235.08200	1.4
253.09261	1.5
263.12988	0.2
325.21643	0.2
327.21652	0.2
351.23325	0.5
353.28625	0.2
355.26947	0.2
359.26001	0.2
367.22876	0.3
369.20361	0.3
369.24527	0.2
371.29401	0.3
373.25006	0.2
375.27008	0.2
377.21243	0.3
377.28369	0.3
385.23749	0.7
387.21378	0.2
389.28552	0.4
391.30197	0.3
393.31915	0.3
395.22235	2.8
396.22299	0.2
403.24969	0.6
405.31644	0.8
406.28751	0.3
407.28622	0.2
407.33267	2.5
408.33807	0.3
413.23297	4.1
414.23065	0.3
415.28558	0.3
421.31314	0.5
423.32736	1.4
425.30008	0.2
425.34467	1.4
426.34872	0.2
427.32108	1.9
428.32275	0.2
431.24234	1.1
437.30585	0.3
439.32129	0.6
443.19391	1.2
443.35315	1.2
451.31720	0.2
455.31732	0.5
459.22446	3.9
460.22748	0.2
461.20370	1.5
467.31879	0.4
469.33194	24.7
470.33487	2.7
485.32813	0.3
486.32751	0.3
487.34274	100.0
488.34628	11.7
488.41895	0.4
499.22134	0.2
513.32202	0.9
605.29895	0.4
621.32843	1.3
623.30664	0.4
631.31219	4.7
632.31531	0.6
639.34180	0.3
649.32257	27.6
650.32666	3.0
667.33301	21.0
668.33588	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	1163.7088
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03275	0.1
83.01225	0.2
85.02808	0.5
86.53979	0.1
87.00743	0.6
89.02322	1.4
95.01232	0.2
97.02837	0.5
97.06452	0.1
99.00740	0.3
99.04377	0.3
101.01701	0.2
101.02327	2.3
106.79114	0.1
111.04408	0.1
113.02325	1.2
114.02650	0.1
119.03374	0.7
125.02341	1.0
131.03366	0.2
133.04965	0.1
134.35936	0.1
143.03398	0.5
149.04483	0.1
161.02284	0.1
161.04445	0.7
179.03355	0.1
179.05562	0.7
221.06628	0.2
235.08202	1.8
249.11668	0.1
249.63806	0.1
253.09270	0.3
263.07587	0.2
277.21716	7.3
278.22104	0.7
287.07706	0.7
291.23248	0.2
305.08749	0.6
323.09848	0.3
357.27905	0.1
381.31448	0.1
386.18655	0.1
391.30115	0.2
397.13492	21.3
398.13879	1.3
399.14124	0.2
399.32581	0.1
405.31717	0.1
407.29156	0.2
407.33740	0.2
409.31201	0.6
410.31686	0.2
415.14572	6.4
416.15024	0.5
417.15207	0.2
423.32724	0.5
425.34576	1.3
427.32150	1.1
439.32312	0.1
440.32483	0.1
441.33902	0.6
442.34201	0.3
443.35812	0.9
453.29840	0.1
455.31808	0.3
456.32123	0.2
457.32858	0.2
467.31799	0.2
468.32422	0.2
469.33395	2.0
470.33728	0.2
471.31033	0.1
485.32767	5.3
486.33139	6.1
487.34283	100.0
488.34647	10.8
675.35974	4.3
676.36377	0.7
1163.71631	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1163.7099
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03341	0.1
83.01256	0.3
83.03024	0.0
83.04931	0.1
85.02825	0.5
87.00747	0.6
89.02319	2.0
91.03911	0.0
95.01261	0.2
97.02822	0.5
99.00785	0.2
99.04370	0.1
101.02325	2.5
101.79400	0.0
103.03879	0.0
109.02831	0.0
111.00752	0.1
111.04401	0.1
113.02335	1.2
115.03928	0.1
119.03387	0.7
120.89814	0.0
121.02809	0.1
124.01536	0.1
125.02345	1.1
127.03938	0.1
131.03409	0.1
133.04961	0.1
139.03920	0.1
141.01859	0.1
143.03430	0.5
149.04385	0.1
161.04480	0.7
167.03426	0.1
169.04933	0.1
179.05550	0.7
185.04414	0.1
199.06146	0.1
205.15929	0.1
217.07124	0.1
219.05116	0.1
221.06639	0.2
233.22813	0.1
235.08195	1.8
245.06718	0.1
253.09221	0.4
263.07703	0.1
277.09586	0.1
277.21729	8.5
278.22095	0.5
287.07742	0.6
305.08777	0.9
306.09052	0.0
323.09976	0.3
325.39130	0.0
349.51657	0.0
357.26022	0.1
363.26852	0.1
373.28851	0.1
375.26880	0.1
377.28546	0.1
379.12463	0.1
379.30148	0.2
389.28436	0.1
391.30157	0.1
393.31714	0.1
397.13507	25.5
398.13858	1.4
401.28461	0.1
406.28348	0.1
407.29675	0.2
409.31119	0.4
410.31384	0.0
415.14578	7.7
416.14850	0.4
417.27701	0.0
419.29382	0.1
421.31210	0.5
423.32828	0.2
425.34464	0.1
439.32373	0.2
441.33673	0.2
442.34241	0.0
457.33359	0.1
467.31744	0.1
469.33139	0.8
470.33603	0.1
485.33063	0.2
486.32828	0.3
487.34290	100.0
488.34619	11.3
675.35974	5.0
676.36438	0.8
809.38342	0.0
1163.70691	0.3
1164.70825	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	1169.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
87.48982	0.2
96.96838	3.9
97.08487	0.2
99.69096	0.2
118.23788	0.2
150.97951	1.0
152.99493	57.0
153.99821	0.5
161.02388	0.2
166.37180	0.2
166.98965	0.2
171.00558	15.7
172.00891	0.3
201.47198	0.2
227.03233	3.1
245.04292	66.1
246.04683	1.4
253.21712	34.2
254.22032	1.7
308.79092	0.2
481.25726	100.0
482.26068	8.2
614.20020	0.5
646.19189	0.3
841.24268	0.9
842.24426	0.3
941.46234	0.4
1169.49500	16.7
1170.49646	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	1169.7352
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04896	0.1
95.48116	0.0
103.59268	0.0
142.63181	0.0
179.97795	0.0
181.78951	0.0
216.94542	0.0
355.26556	0.1
367.26297	0.2
373.28961	0.1
377.28592	0.1
379.30017	0.1
387.29169	0.4
391.30328	0.2
393.31586	0.2
395.29333	0.1
401.28369	0.2
403.25638	0.1
403.30096	0.1
405.27753	0.1
407.29810	0.3
409.31134	0.2
417.28000	0.1
418.28949	0.0
419.29630	0.6
421.26086	0.1
421.31125	1.0
422.31558	0.1
423.29086	0.2
425.30447	0.1
435.28961	0.1
437.30414	0.3
439.32077	0.2
441.34146	0.1
443.31696	1.6
444.31903	0.2
451.28745	0.1
453.30093	0.9
454.30353	0.1
454.59238	0.0
455.31519	0.1
459.34860	1.0
460.35052	0.1
464.63663	0.0
467.31699	0.1
471.31503	0.3
473.32751	0.2
483.30981	0.1
485.32733	14.9
486.33142	1.3
501.32349	0.1
502.31772	0.1
503.33765	100.0
504.34106	10.8
574.15961	0.1
632.34283	0.0
665.39758	0.2
989.86694	0.1
1169.73608	3.0
1170.73926	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1169.7349
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01277	0.1
83.04929	0.1
85.02844	0.2
87.00810	0.1
89.02335	0.1
95.01298	0.1
98.19805	0.1
101.02313	0.3
113.02325	0.3
119.03428	0.1
119.04893	0.4
123.04458	0.1
132.02097	0.1
133.02843	0.3
134.03653	0.1
135.04417	0.4
137.02365	0.2
145.02876	0.1
149.02322	0.1
150.03044	0.1
151.03941	0.1
160.01596	0.1
161.02330	0.7
161.04486	0.1
162.02765	0.1
163.03941	0.2
175.03903	0.3
179.03415	0.4
179.05612	0.1
193.05125	0.1
255.02992	0.2
285.03922	0.1
300.02438	0.1
337.09402	0.1
357.25983	0.1
371.27069	0.1
377.28479	0.4
387.26846	0.1
389.28525	0.2
390.28922	0.1
391.30435	0.1
393.31680	0.6
394.31827	0.1
395.29614	0.1
403.26340	0.2
404.25967	0.1
405.27768	0.1
407.29474	0.7
409.31070	0.1
419.29578	1.1
420.29803	0.1
425.30667	0.1
427.32297	0.1
435.29269	0.1
437.30402	0.3
441.34311	0.1
443.31659	1.3
444.31900	0.1
451.28619	0.1
453.29880	0.3
457.33426	0.1
459.34824	0.4
469.29675	0.1
471.31262	0.2
485.32718	12.3
486.33066	1.3
487.15018	0.1
489.27121	0.1
501.14203	0.2
501.32272	0.1
502.14484	0.2
502.32428	0.2
503.33765	100.0
504.34103	12.2
505.33893	0.1
517.32031	0.1
600.66418	0.1
621.18414	0.1
665.38989	0.3
752.41528	0.1
878.03693	0.1
975.28314	0.1
1121.89941	0.1
1169.45288	0.2
1169.73120	2.7
1170.49304	0.1
1170.73853	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64281	0.1
55.01756	0.9
56.66856	0.1
58.24575	0.1
59.01238	0.4
60.76664	0.1
70.99590	0.2
70.99924	0.2
71.01249	0.6
71.04909	0.1
73.02818	100.0
73.53782	0.2
74.03154	3.3
82.45608	0.1
86.30406	0.1
99.00754	7.6
99.92446	0.8
100.01102	0.4
116.92747	2.5
117.01824	13.7
117.92758	0.4
118.02153	0.6
118.02908	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1173.6575
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03376	0.5
83.01271	0.3
83.04893	0.8
85.02863	0.5
87.00795	0.3
89.02371	0.5
93.03357	0.3
95.01289	0.3
95.04955	0.4
97.02824	1.7
97.06486	0.5
97.32172	0.2
99.00787	0.5
101.02297	1.3
107.04956	0.5
109.02872	0.2
109.06474	7.2
110.03672	0.3
113.02331	0.9
118.04015	0.2
119.03397	0.2
121.06507	0.8
123.04440	0.2
123.08081	0.5
125.02367	0.3
125.09621	2.3
135.04488	0.2
135.08055	1.1
136.05293	0.3
142.02666	0.5
145.05020	0.4
145.10184	0.2
151.07524	0.2
161.02469	0.2
161.04500	0.5
161.09624	0.8
163.11200	4.3
163.12489	0.2
171.10251	0.2
175.07486	0.2
175.11240	0.3
177.12732	0.2
179.05525	0.2
179.10680	0.3
181.12280	0.9
185.11823	0.2
187.09744	0.8
189.09125	0.4
191.10793	0.3
203.10823	0.2
205.08543	0.2
207.10199	18.4
208.10571	0.6
209.11765	3.3
210.91144	0.2
217.12572	0.2
219.10300	0.7
219.13898	0.3
221.11691	0.2
223.09714	0.9
223.13405	0.4
225.11269	11.1
226.11604	0.5
235.08234	0.7
235.13443	0.3
237.11337	0.6
243.12585	0.2
245.11821	0.3
253.09196	2.0
257.82150	0.2
261.11353	0.5
263.12888	0.8
275.12967	0.3
281.14102	0.3
281.60858	0.2
286.11981	0.2
299.15057	0.6
309.18887	0.2
327.19803	0.7
343.19199	0.3
345.20642	0.4
353.17535	0.5
353.21338	0.4
361.20160	0.4
367.26318	0.3
369.20746	0.7
371.18561	1.2
371.22495	0.7
377.28342	0.8
379.19067	0.5
387.21835	0.6
387.28964	0.8
389.19623	1.2
389.23764	0.2
391.30222	0.3
393.31677	1.2
397.20230	1.7
401.28610	0.5
403.26236	0.2
405.17618	0.4
405.22729	0.3
407.29480	0.5
409.31284	0.4
415.21234	5.0
416.21591	0.2
417.28033	0.2
419.29672	1.4
421.31049	1.7
422.31464	0.3
423.32944	2.3
425.34521	1.3
433.22308	1.6
437.30362	0.9
438.30530	0.2
439.32199	0.9
441.33609	0.5
443.19250	0.7
443.31619	3.2
444.31720	0.4
453.30170	1.6
457.33557	0.2
459.35068	1.4
461.20264	3.9
469.33276	2.2
471.31229	0.5
485.32730	26.2
486.33087	2.8
489.24777	0.2
503.33771	100.0
504.34103	9.1
505.34720	0.2
507.25903	0.4
581.28967	0.3
597.28986	1.9
607.27490	7.8
608.28052	0.5
611.31018	0.6
621.29224	0.4
623.30927	1.8
624.31158	0.3
625.28650	19.7
626.29187	1.4
633.29108	9.0
634.29730	0.7
639.30719	0.4
651.30182	52.6
652.19507	0.3
652.30450	5.4
669.31281	24.4
670.31647	1.9
977.04114	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1175.6731
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03323	1.1
83.01247	0.3
83.04895	2.3
84.02048	0.2
85.02816	0.6
87.00748	0.5
89.02320	0.9
93.03350	0.5
95.01286	0.2
95.04901	0.6
97.02838	1.8
97.06483	0.7
99.00773	0.6
101.02322	1.7
106.04112	0.3
107.04935	0.5
109.06477	8.5
110.03557	0.2
113.02342	1.1
119.03401	0.3
119.04879	0.2
119.97817	0.2
121.06474	0.6
123.08047	0.5
125.05999	0.3
125.09629	0.9
133.02774	0.2
135.04420	0.8
135.08090	1.2
136.05208	0.4
137.09612	0.2
142.02614	0.4
143.03488	0.2
144.11153	0.2
145.04915	0.3
147.11734	0.2
149.09631	0.2
151.07465	0.3
159.02847	0.2
161.02347	0.6
161.04482	1.0
161.09624	0.7
163.11205	5.9
164.11542	0.3
165.12775	1.1
171.10191	0.7
175.11110	0.2
178.02698	0.2
179.03391	0.5
179.05579	0.3
181.12282	1.0
185.11807	1.2
187.07529	0.2
189.09161	1.2
189.12750	0.4
191.10675	0.5
201.11166	0.3
205.15903	1.0
207.10208	26.8
208.10536	0.8
209.11771	42.9
210.12160	1.6
213.09192	0.3
221.11803	0.5
225.11273	13.7
226.11627	0.7
227.12846	9.3
228.13240	0.5
229.12303	0.2
231.10172	0.4
235.08177	2.6
243.12372	0.3
245.11884	0.2
247.13380	0.5
249.11369	1.1
253.09271	5.0
263.12762	0.3
265.14444	0.6
299.14996	0.5
307.20566	0.3
319.20847	0.2
323.23785	0.4
337.25244	0.5
339.26706	0.3
353.48184	0.2
355.22772	0.5
355.26566	0.4
361.25143	0.3
363.26889	2.2
371.22507	0.2
372.24438	0.2
373.19949	0.2
373.23944	0.8
375.26755	0.6
377.24948	0.3
377.28647	1.6
379.30072	3.9
380.30539	0.4
381.20975	0.4
381.31757	0.3
385.28949	0.6
387.26651	0.6
387.30930	2.0
389.23868	0.5
389.28381	0.5
391.30164	2.9
393.27072	1.1
393.32578	1.1
399.21729	4.0
400.22165	0.3
401.28400	1.8
402.28439	0.3
403.30222	0.9
405.17584	0.3
405.27618	0.4
405.32144	0.3
406.28342	0.5
407.24789	0.3
407.29636	2.4
408.30078	0.2
409.31183	16.8
410.31485	1.6
413.27090	0.3
417.22885	3.8
417.28104	0.7
418.23853	0.3
419.29630	1.1
421.31195	8.7
422.31464	1.0
423.33069	4.6
424.33127	0.5
425.30594	2.3
426.30872	0.2
427.32416	0.3
435.23737	0.3
435.28983	0.8
437.30371	0.6
439.32349	3.2
440.32584	0.7
441.33728	13.2
442.34274	1.3
443.19199	3.2
444.19629	0.2
445.20740	2.2
453.30118	9.0
454.30341	0.8
455.31738	1.2
457.33331	5.6
458.33594	1.2
459.34485	0.7
461.20297	6.9
461.25375	0.1
461.26947	0.2
462.20660	0.5
463.21506	0.3
465.30344	0.3
467.19965	0.2
467.31628	5.0
468.31885	0.5
473.26184	0.3
473.32635	3.5
474.32950	0.5
483.31351	0.4
485.20755	0.7
485.32721	26.7
486.33133	2.8
501.32233	0.9
502.32889	1.0
503.33789	100.0
504.34134	9.7
505.34067	0.2
509.27472	0.4
609.28802	1.0
617.29150	0.2
625.32568	0.9
627.30151	1.3
635.30713	29.8
636.31061	3.1
653.31787	30.8
654.32050	3.3
671.32800	37.2
672.33221	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	1177.7253
Annotation	Unknow
Peak:m/z	Relative Intensity
82.39314	0.1
83.01257	0.2
83.98257	0.1
85.02832	0.2
86.69486	0.1
87.00765	0.3
87.01658	0.1
89.02324	1.0
95.01280	0.1
97.02828	0.3
97.06475	1.0
99.00766	0.2
99.04383	0.1
101.02330	1.5
101.05974	0.1
113.02329	0.8
119.03400	0.3
125.02315	0.6
139.03925	0.1
143.03409	0.2
153.09122	0.4
161.04448	0.4
179.05521	0.4
221.06586	0.2
235.08179	1.0
235.16847	0.1
253.09259	0.2
277.09277	0.1
277.21722	4.6
278.22092	0.2
287.07718	0.3
305.08636	0.5
307.24173	0.1
314.29742	0.1
323.09760	0.2
349.29144	0.1
359.27417	0.1
371.27350	0.1
372.24445	0.2
373.25296	0.2
374.25998	0.5
375.26990	0.2
377.28455	0.1
381.28027	0.4
387.30850	0.7
389.28513	4.0
390.28824	0.4
391.26157	0.2
391.30264	0.2
393.31607	0.3
397.13495	14.8
398.13794	0.8
403.25854	0.2
403.30255	0.3
405.27731	0.3
405.32422	0.6
406.28723	5.0
407.29443	1.6
408.30167	0.1
409.31024	0.1
415.14578	4.3
416.15057	0.3
419.29825	0.1
421.31253	3.6
422.31351	0.3
423.32709	10.3
424.33066	1.0
437.30792	0.4
438.28079	0.1
439.27847	1.2
453.29932	0.2
455.31543	0.5
457.33347	0.6
467.31641	0.8
468.32242	0.1
469.33203	100.0
470.33551	10.7
483.31039	0.2
487.34714	0.1
500.31229	0.1
501.36545	14.0
502.36911	1.6
513.32275	1.2
514.32697	0.1
675.35901	2.8
676.36481	0.3
880.03253	0.1
1177.73315	0.4
1178.73303	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1179.7044
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01280	0.1
85.02856	0.2
87.00755	0.3
89.02319	0.6
95.04918	0.1
97.02871	0.2
97.06474	1.2
99.00755	0.1
101.02327	1.1
113.02322	0.6
119.03432	0.3
125.02337	0.6
129.98964	0.1
131.03355	0.1
135.08057	0.1
137.09668	0.1
139.03914	0.1
141.01886	0.1
143.03445	0.2
153.09113	0.4
161.04440	0.3
170.95743	0.1
179.05528	0.3
189.12781	0.3
191.14407	0.3
217.15901	0.4
221.06670	0.1
235.08180	0.9
237.15012	0.2
239.28654	0.1
253.09319	0.1
261.15063	0.2
277.21732	3.7
278.22116	0.3
287.07779	0.2
305.08783	0.4
307.24173	0.2
323.09976	0.1
339.26895	0.1
349.25320	0.1
357.22296	0.1
359.27612	0.1
371.27631	0.1
372.24557	0.2
373.25128	0.2
374.25974	0.3
375.26993	0.2
376.23611	0.1
377.28577	0.1
379.30194	0.1
381.28006	0.6
387.30780	1.0
388.31381	0.1
389.28546	3.2
390.28778	0.3
391.26349	0.2
391.30124	0.2
393.27484	0.1
393.31818	0.3
397.13495	11.1
398.13937	0.8
403.25735	0.1
403.30530	0.4
405.27087	0.1
405.32211	0.8
406.28763	5.7
407.29401	1.7
408.30136	0.1
409.27402	0.3
409.32169	0.3
415.14600	3.3
416.15033	0.2
419.29941	0.1
421.31317	2.9
422.31500	0.3
423.32834	8.4
424.28854	0.3
424.33975	0.7
425.30063	0.5
425.35443	0.1
437.31070	0.1
439.27646	0.5
439.33203	1.7
440.32770	0.7
441.33658	1.3
442.34000	0.1
455.31525	0.2
457.33328	0.7
458.33572	0.4
459.34558	0.3
467.31708	1.6
468.32260	0.2
469.33212	100.0
470.33560	10.8
471.33270	0.2
483.31247	0.2
484.31418	0.3
485.32709	1.9
486.33121	0.2
487.34271	0.1
499.30591	0.1
501.32187	3.0
502.32486	3.3
503.33762	18.8
504.34164	1.9
513.32202	2.9
513.40204	0.1
514.32697	0.4
518.33118	0.1
529.31635	0.3
675.35986	1.8
676.36395	0.2
703.61102	0.1
914.45563	0.1
1179.69824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1181.6755
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04878	0.1
87.06777	0.1
94.98904	0.1
104.97336	0.5
110.98415	8.1
113.20689	0.1
115.69968	0.1
122.31854	0.1
127.07476	0.3
127.31469	0.1
130.18211	0.1
131.87920	0.1
137.00015	0.2
152.99475	0.5
163.29182	0.1
167.01068	6.7
185.02130	3.3
205.19562	0.1
233.22641	0.5
246.12227	0.1
259.20682	0.8
275.20038	0.5
277.21713	100.0
278.22046	6.4
327.20474	0.1
404.84384	0.1
441.98441	0.1
445.23590	66.5
446.23911	5.4
500.42850	0.1
843.94678	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	1183.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01258	1.5
85.02824	1.6
85.99969	0.1
87.00755	0.3
87.04371	0.0
89.00199	0.1
89.02332	0.1
89.46988	0.0
93.03317	0.4
95.01263	0.6
95.93690	0.0
99.00760	0.3
101.02310	0.2
103.00239	0.1
105.03342	0.3
107.01272	1.7
112.01554	0.0
113.01516	0.1
113.02328	2.2
115.00261	0.8
117.03345	4.7
118.03678	0.2
119.01243	0.0
119.04905	0.0
121.02862	0.2
131.03412	0.3
131.04948	0.0
132.02061	0.0
133.01335	0.3
133.02837	0.1
135.04404	0.3
139.00259	0.1
141.03348	0.1
145.02747	0.0
147.00749	0.1
147.09834	0.0
149.02347	1.3
150.02692	0.0
151.00276	1.2
155.04947	0.2
156.05620	0.0
157.01230	0.1
157.06494	0.2
158.03616	0.1
159.04427	1.7
160.04729	0.1
161.02353	1.2
167.04933	0.1
169.06499	0.6
170.06670	0.0
171.04445	0.2
173.05977	0.1
175.02394	0.1
180.05701	0.2
181.06491	0.7
182.03673	0.2
183.04451	1.1
184.04802	0.1
185.05896	0.0
195.04410	0.2
196.05190	0.4
197.06018	0.8
199.03967	0.3
201.03656	0.0
201.05518	0.8
203.03360	0.2
210.03181	0.1
211.04117	0.0
213.05518	0.2
223.03986	0.1
224.04718	0.5
225.05524	1.7
226.05844	0.1
227.03448	0.8
233.06526	0.1
237.05646	0.1
237.19319	0.0
239.03409	0.1
240.04318	0.1
241.05130	0.3
251.03461	0.1
253.05083	0.2
268.03784	2.0
269.04541	100.0
270.04877	5.5
270.07935	0.1
271.05176	0.0
281.04581	0.8
282.05136	0.1
283.06161	0.4
293.04498	0.1
295.05951	0.0
297.04047	0.1
303.07233	0.4
311.05603	0.7
321.08252	2.9
322.08405	0.1
323.05469	0.3
341.06653	0.1
365.06732	0.1
383.07635	0.2
427.06683	0.4
428.07169	0.0
457.11511	0.3
529.13489	0.6
530.14001	0.1
547.14136	0.3
559.20435	0.1
573.12549	0.0
591.13531	40.1
592.13873	4.2
593.14502	0.1
650.16229	0.0
869.53448	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1195.6987
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01281	0.4
83.04903	0.3
85.02838	0.8
85.22436	0.2
87.00737	0.9
89.02318	3.1
95.01273	0.3
97.02829	0.6
99.00739	0.3
101.02312	3.6
111.08086	0.2
113.02319	1.9
119.03392	1.0
125.02325	1.3
133.02896	0.3
135.04417	0.8
143.03438	0.9
161.02365	0.8
161.04475	0.8
179.03308	0.5
179.05525	1.6
179.10664	0.2
179.14323	0.2
195.13857	3.0
197.11693	0.4
197.59151	0.2
209.11703	0.6
211.13412	0.3
221.06635	0.4
223.13354	2.0
224.13577	0.3
228.13622	0.3
235.08165	1.4
247.00397	0.2
253.09219	0.5
256.13071	0.5
258.20920	0.2
275.20172	1.8
276.20801	0.3
287.07700	0.7
293.21216	61.4
294.21527	4.3
305.08789	0.6
323.09833	0.4
363.26913	0.2
367.26303	0.2
377.28519	0.6
379.29962	0.3
387.29126	0.5
393.31747	0.9
397.13470	22.3
398.13727	1.2
401.28403	0.5
406.28424	0.3
407.29443	0.5
409.30945	0.4
415.14545	31.0
416.14856	1.8
417.27930	0.2
419.29639	1.0
421.31125	1.9
422.31747	0.4
425.30377	0.2
439.31937	1.3
440.32806	0.3
441.33801	2.8
442.34399	0.4
443.31683	2.0
444.32062	0.3
453.30084	0.7
457.32968	0.8
458.33545	0.5
459.34866	2.8
460.35541	0.2
467.31540	0.5
471.31631	0.4
472.31235	0.2
473.32382	0.7
477.22745	0.5
483.30893	0.6
484.31570	0.5
485.32706	23.1
486.33212	3.1
487.34225	1.1
501.32391	1.9
502.32629	2.7
503.33771	100.0
504.34158	11.4
504.40048	0.2
604.25031	0.2
654.27582	1.3
655.27539	0.3
691.35413	24.5
692.35779	3.1
693.36023	0.4
851.60614	0.2
1195.48853	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29408	2.4
55.01762	15.9
57.03050	3.4
57.03325	55.4
57.76443	2.6
59.01249	9.5
67.01760	100.0
68.02090	5.1
68.99687	53.9
69.43037	17.9
70.17606	2.8
71.01251	56.8
72.99181	21.7
73.02811	10.0
83.01251	8.0
83.04903	4.0
85.02821	46.9
85.06461	3.8
87.00743	15.0
88.03929	16.3
96.99184	10.4
99.00736	14.1
101.02341	14.5
111.00770	7.1
124.95045	3.6
129.01837	58.4
129.05466	3.6
130.02119	5.0
130.04024	26.6
130.04910	3.2
130.08633	33.9
141.66609	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	130.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98719	0.7
57.03082	1.0
57.03325	10.2
59.01241	2.6
60.27789	0.7
65.01317	1.8
69.03322	2.8
71.01250	8.9
71.13787	1.0
72.99181	2.7
73.02817	10.3
75.00745	1.3
85.02824	45.5
85.06468	2.7
86.03181	0.7
86.05977	0.9
87.00735	0.8
87.04384	9.0
88.03912	3.0
101.02344	1.2
113.02335	2.8
130.04022	8.0
130.08635	100.0
131.03441	18.4
131.08989	6.0
139.06197	0.7
142.72879	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92285	0.7
59.01245	1.8
69.14072	0.7
71.01253	77.4
71.31151	0.9
72.01609	1.8
72.88931	0.8
72.99181	16.8
73.13439	0.6
79.43405	0.7
87.00736	2.5
87.04398	2.8
89.02329	8.6
104.55695	0.7
115.00254	100.0
116.00594	5.5
133.01323	22.3
133.04964	3.7
145.23322	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00474	0.5
59.01252	8.1
65.99711	0.5
68.51682	0.4
70.80226	0.8
71.01250	8.9
72.01607	0.6
72.99179	18.3
73.01666	2.1
73.02814	0.9
75.00745	100.0
76.01080	2.0
85.02822	1.2
87.00767	4.5
89.02318	4.8
92.04928	0.7
93.03333	1.4
99.00715	0.4
107.04890	1.2
108.02028	1.5
113.26113	0.4
115.00260	1.6
117.00688	5.7
117.01779	2.0
133.36554	0.4
134.03702	0.5
134.86438	1.0
135.01826	1.8
135.02888	20.7
135.04417	8.9
136.01532	0.9
136.03177	1.0
136.04024	0.7
136.04822	0.6
149.00821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27069	1.6
52.31725	1.6
52.71914	1.5
53.00194	27.4
54.00495	1.9
55.01736	2.1
57.03313	2.6
58.00477	2.6
59.01247	16.8
59.95335	1.8
68.99697	10.2
69.03329	3.4
70.64532	3.5
70.64907	3.5
71.01251	66.8
72.01597	2.9
72.99173	5.2
80.99685	7.8
81.03330	4.8
82.02853	3.4
82.25852	1.6
83.01263	5.4
85.02814	8.0
87.00760	22.1
87.04391	3.8
95.01247	1.6
96.99191	41.9
97.02847	3.4
99.00751	2.9
99.04382	2.8
102.05476	2.1
112.98691	44.1
113.02339	3.0
115.00249	14.3
115.03919	2.1
124.98701	95.8
125.02331	3.8
125.99037	5.1
126.01821	1.8
137.32796	1.9
140.98178	8.9
142.99762	100.0
143.03404	6.1
144.00101	7.1
144.04454	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	144.0447
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
59.37265	0.2
60.84990	0.2
64.01791	0.3
65.01311	0.8
65.99707	0.4
68.09015	0.2
69.71461	0.9
69.85028	0.2
71.01268	0.3
73.44614	0.2
77.01313	0.4
81.03319	0.3
83.04913	0.4
84.42500	0.2
89.01328	0.5
90.00866	0.6
91.02864	0.3
99.08063	0.9
101.05968	0.7
103.02930	0.3
116.02409	0.6
116.04953	2.8
117.03313	0.6
117.05345	0.2
118.03987	2.1
126.03402	1.5
128.55609	0.2
131.03728	0.2
142.02904	0.5
143.03459	0.4
144.04451	100.0
145.01505	0.4
145.02846	0.4
145.04826	10.7
145.08636	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00226	0.8
52.55929	0.5
53.15744	0.6
57.03309	0.6
61.37145	0.4
64.01797	1.5
65.01321	4.1
65.99715	2.2
66.00825	0.5
69.03296	0.6
69.29955	3.6
71.01257	1.0
72.99200	0.8
77.01337	2.1
81.04456	1.2
83.04894	1.3
87.00749	1.0
90.00835	1.0
91.02904	1.7
97.06471	2.5
99.04410	1.0
99.08036	100.0
100.08383	6.9
101.05970	1.7
102.05489	0.7
103.01654	1.2
105.03178	0.8
105.04461	0.7
109.90652	0.5
116.02432	0.8
117.03347	1.0
118.02895	2.1
118.03999	8.8
119.02419	4.6
119.04320	0.7
121.36849	0.5
127.07550	1.3
129.55627	0.6
130.02747	0.5
143.07016	1.2
144.01970	1.1
145.02885	1.1
145.03926	1.1
145.05022	7.6
145.08607	33.1
146.02374	6.8
146.03513	3.5
146.07152	1.3
146.08943	2.5
160.85428	0.6
163.96912	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	7.5
59.01251	100.0
60.01569	2.5
60.45756	1.8
65.01325	7.2
65.99725	5.7
67.02889	5.0
69.30013	3.5
69.30424	9.4
71.01254	35.0
72.99193	7.9
73.02834	3.1
75.00746	2.4
81.04444	3.0
81.31184	1.8
82.02902	2.1
89.02313	33.9
91.02885	2.3
93.03360	3.0
95.04917	2.4
98.20628	3.2
101.02389	2.1
105.08739	1.9
105.58543	2.3
106.03998	9.3
107.02383	4.3
108.01965	3.0
108.05590	4.3
109.03975	2.7
120.01885	3.6
121.02853	17.5
121.06498	3.1
122.02425	2.9
122.03481	2.9
123.01922	3.5
149.02353	8.7
149.03453	3.9
149.04562	5.0
149.05991	6.6
150.02972	4.7
150.06615	3.1
154.48695	1.8
156.80724	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	149.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84626	2.2
58.00460	9.2
59.01249	100.0
65.01319	11.4
65.99712	9.1
67.02863	6.7
69.63990	12.2
71.01252	37.5
72.99173	7.9
73.02822	3.1
81.04435	3.3
83.02400	2.7
85.44223	2.3
89.02315	35.2
92.02422	3.2
93.03338	6.7
95.04911	2.2
98.19824	5.1
106.03989	9.4
107.02390	2.8
108.04401	4.2
108.05576	3.2
120.01917	4.0
121.02851	21.6
121.06481	3.2
122.03503	6.7
123.01891	4.7
142.23676	2.3
146.99347	2.1
149.00935	1.9
149.02319	15.4
149.03435	5.4
149.04503	7.4
149.05954	12.6
150.00049	5.5
150.02994	7.3
150.05453	2.6
150.06549	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	152.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.6
59.77771	0.2
65.00201	0.5
65.99733	0.3
66.03358	5.1
66.41181	0.2
67.02889	0.4
68.01299	0.3
68.40127	0.2
68.99689	0.3
69.03328	0.7
69.99946	0.8
70.00289	0.2
72.01610	0.2
72.04424	1.6
79.01743	0.2
80.96398	0.7
81.03331	1.6
81.04462	0.5
82.02856	0.6
83.01284	0.4
83.02396	0.3
83.04898	0.3
85.02830	0.3
93.03313	0.3
93.30688	0.2
95.01251	0.5
95.04916	0.2
96.99223	0.3
97.02827	0.4
107.01252	0.3
107.04947	0.3
108.02047	3.5
108.04469	1.1
109.02836	27.9
109.06481	0.9
109.99149	0.5
109.99990	2.2
110.02391	0.5
110.03513	0.5
111.00758	0.3
111.04382	0.5
121.02828	1.0
122.03625	41.1
123.00749	0.5
123.03964	1.9
124.01546	0.5
124.03896	0.2
124.04776	0.3
125.02372	2.1
125.03336	0.4
125.05986	0.3
135.04420	0.8
137.01874	1.7
137.99466	2.0
143.79361	0.2
151.00293	0.4
152.03432	100.0
153.01840	7.9
153.03787	7.2
153.05473	2.4
153.06554	0.4
153.09149	0.4
153.12784	0.5
154.81136	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	100.0
56.02094	2.7
57.03323	2.7
59.01260	3.6
60.47428	1.3
65.00192	1.3
65.03843	1.9
67.01760	2.2
68.99680	1.6
69.03325	1.3
70.02836	1.3
71.01255	19.0
72.99167	1.4
74.51199	1.1
81.03351	9.4
83.01258	49.9
83.04895	9.8
85.02834	4.5
87.00780	1.3
93.03331	13.0
95.01257	3.2
97.99950	1.2
99.00780	4.0
107.53830	1.1
109.02835	3.5
111.00772	4.5
111.04402	26.9
111.08035	2.9
112.04752	1.4
112.98709	1.7
114.05489	17.6
123.00749	1.5
125.02258	1.3
127.00272	21.1
127.03889	12.7
137.02338	4.7
139.86642	1.2
140.01038	4.2
142.56487	1.5
147.16493	1.5
152.98228	1.4
154.99770	52.9
155.03456	11.0
155.07036	4.8
155.10675	1.6
156.00121	3.2
156.06593	2.7
157.09412	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91946	0.8
55.01742	1.0
55.72471	0.9
57.03312	2.8
59.01250	3.8
65.01334	4.2
67.40322	0.7
68.99680	3.9
69.03323	1.6
71.01254	5.3
71.04913	0.8
71.21404	1.7
73.02800	1.0
83.01244	1.8
83.04900	2.9
85.02818	3.4
85.06469	1.0
87.00758	2.9
89.01318	1.5
89.74345	0.8
90.00867	1.1
95.04916	4.6
97.06505	1.0
99.00745	4.2
102.00866	1.3
106.03996	1.1
111.00768	1.6
111.08054	1.6
113.05970	100.0
113.09618	2.9
114.06312	5.7
115.00230	2.1
115.02959	1.0
116.02432	2.0
116.07033	1.2
126.26593	0.8
127.00281	15.7
130.03113	1.1
130.03998	7.7
131.03502	2.9
139.00261	1.4
139.03862	0.9
139.07561	2.0
156.96844	1.8
157.01328	3.6
157.02573	0.9
157.05043	23.6
157.08611	14.5
157.12239	7.6
158.03523	4.5
158.04587	1.2
158.05952	1.5
158.08005	1.5
158.12666	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05707	0.8
53.35185	0.9
57.03335	1.3
59.01257	24.9
65.01324	11.4
65.99712	1.4
67.05392	2.7
68.99695	2.1
69.71169	5.7
71.01249	22.9
71.96382	0.9
74.39500	0.8
75.91412	0.9
83.04886	2.8
84.72171	1.0
85.02824	1.5
87.00764	2.2
89.01342	6.1
90.00870	2.0
91.02895	2.9
95.04874	2.2
95.74360	1.0
99.00748	3.0
102.00908	1.0
106.03983	1.4
109.06467	11.4
111.00774	1.2
111.08051	7.3
113.05949	2.3
113.09604	1.5
115.00272	1.2
115.02895	3.2
116.02449	3.0
116.07102	1.1
118.04024	1.5
121.06518	2.5
127.00278	9.2
127.07546	50.7
128.04944	0.9
128.07857	2.5
130.04008	20.2
130.04970	1.5
131.03535	5.4
131.04382	1.6
139.07558	36.9
140.07884	2.1
155.07011	1.3
157.01375	2.2
157.03865	2.3
157.05115	26.9
157.08611	100.0
157.12207	3.1
158.03508	6.6
158.04662	3.1
158.05896	3.0
158.09013	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	158.045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.6
56.01265	0.7
57.03324	37.6
58.02845	1.3
59.01250	10.6
68.99683	2.1
69.03327	7.8
69.36804	3.1
69.99981	0.6
70.14864	0.4
71.01253	7.0
71.04887	5.4
72.00787	0.6
72.99172	4.7
73.02824	4.4
74.02339	1.7
75.00742	0.5
82.02844	1.6
83.01257	6.9
84.04423	11.3
85.02821	18.3
86.05985	97.8
87.00745	2.4
87.04391	2.0
87.06321	3.5
96.04421	1.4
97.02831	13.7
97.06458	1.4
97.99976	1.1
98.20583	1.1
99.00761	7.5
100.03941	1.0
101.02311	4.6
111.00756	2.7
112.03925	100.0
112.69576	0.5
113.02333	9.6
113.04275	4.5
114.05492	17.8
115.00197	0.6
115.03898	16.6
115.05816	1.0
115.07491	0.6
116.07063	0.9
122.77618	0.6
128.07042	0.6
128.20012	0.6
129.01842	2.3
131.03404	2.1
141.01825	5.2
148.54341	0.5
158.03241	1.1
158.04497	18.7
158.08119	3.2
159.02898	42.8
159.06531	1.3
159.10210	0.9
168.32132	0.7
173.03503	0.5
173.04947	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0185
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
50.84108	0.6
53.77927	0.7
57.20925	0.6
57.88605	0.6
59.01248	2.0
65.03835	0.7
66.03363	1.2
67.01742	0.8
70.02274	0.7
70.27818	2.0
71.01263	1.1
81.03320	1.2
87.00737	0.7
89.02299	0.6
91.01774	1.4
93.03334	4.6
93.06985	0.8
95.01305	0.8
95.04906	3.1
107.04912	1.7
108.02060	2.2
109.02863	1.5
109.06502	2.0
119.04931	3.8
121.02850	100.0
121.06478	1.8
122.03738	16.4
122.06010	1.2
123.00769	1.4
123.04391	2.6
135.04405	2.7
137.02324	2.7
137.05992	31.9
138.06380	3.2
147.04424	9.3
148.04817	0.9
149.00777	1.6
150.03127	6.7
151.00305	2.1
165.01852	11.0
165.04080	0.7
165.05475	16.5
165.09137	1.0
166.02692	0.8
166.04982	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	165.0185
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
58.46790	0.6
60.79150	0.5
63.83212	0.5
65.78631	0.6
67.07739	0.6
71.01263	0.9
71.07347	1.2
72.99151	0.7
91.01788	0.6
93.03350	2.4
94.80878	0.5
95.04850	0.7
108.02108	1.4
109.02824	1.0
109.06469	0.6
109.43801	0.6
113.85583	0.5
119.04918	1.6
121.02847	100.0
122.03204	4.3
122.03798	0.9
127.75175	0.6
135.04427	0.9
137.02357	1.0
137.05975	5.6
147.04434	5.1
150.03145	2.1
165.01846	7.7
165.05501	4.4
166.02255	0.7
166.04922	0.9
175.57532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.3
57.03318	1.5
59.01253	14.9
64.15108	1.0
67.01767	1.3
69.46797	2.8
69.47220	4.3
71.01255	11.7
72.99184	9.1
73.02815	3.4
75.00748	100.0
85.02828	2.1
87.00751	99.6
88.01083	1.7
89.02322	7.1
91.01793	1.6
93.03338	3.3
99.00745	9.3
101.02328	5.0
105.01821	72.4
106.02182	2.3
107.04913	1.0
108.02119	1.1
108.04449	1.1
109.02849	1.9
117.01815	3.9
119.04893	2.1
121.02863	12.6
121.06437	1.7
122.03640	5.5
123.04404	1.2
129.01848	11.9
135.02913	2.7
135.04420	2.6
137.02332	1.8
137.05997	9.4
138.05446	1.7
147.02916	11.9
147.04422	2.3
148.04033	2.5
150.03148	3.4
152.04178	1.1
158.20891	1.0
165.01804	4.3
165.03976	73.6
165.05446	7.2
166.04352	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	167.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.7
59.01244	3.8
65.00188	1.1
65.99716	1.4
66.03355	1.7
66.13203	0.8
67.01763	0.8
68.01277	1.1
68.99702	1.5
69.03323	2.8
69.65643	1.2
69.66056	2.5
72.99193	0.8
79.05402	2.7
80.02550	1.7
81.03333	7.1
81.04433	0.8
82.02846	1.4
82.03978	1.7
82.54652	0.7
83.01245	1.4
83.02396	0.9
83.04893	2.2
86.02348	0.9
86.75420	0.7
91.01770	2.1
93.03342	2.2
93.06977	0.8
94.02863	0.9
95.01270	2.9
95.02431	0.8
95.04905	6.6
96.05247	0.8
97.02839	1.8
97.03917	1.1
97.06469	8.6
98.02353	1.4
99.04350	0.7
106.04130	4.2
107.04910	13.7
108.02048	25.3
108.04445	0.8
109.02885	1.7
109.03960	1.1
110.03610	3.6
111.00791	1.5
111.01888	1.2
111.04414	0.8
111.08025	1.0
119.04920	12.3
120.05767	0.9
120.63318	0.7
121.02845	2.5
121.06482	32.1
122.06025	0.8
122.06812	1.6
123.00774	2.5
123.04411	25.0
123.08045	2.3
124.01540	4.0
124.05166	2.5
125.02340	4.0
125.03443	2.3
125.05984	17.7
126.06331	2.0
134.03606	4.0
137.02332	1.2
137.03427	1.0
138.03099	0.7
139.00203	1.1
139.03947	3.5
139.07555	6.2
140.02426	1.7
141.02023	0.8
149.05983	100.0
150.05400	0.9
150.06364	7.3
152.01056	45.2
152.04716	2.1
153.01587	3.3
163.03996	0.9
167.03416	18.4
167.04730	1.7
167.05789	1.6
167.07065	16.8
167.10594	1.3
168.02888	1.3
168.04128	1.1
168.06410	0.9
168.10268	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87853	0.4
52.75469	0.4
58.02848	100.0
59.01266	0.5
59.03195	2.1
65.00191	1.0
66.03362	1.1
68.99696	0.8
69.03333	2.4
71.01266	0.6
71.09143	0.9
80.10518	0.4
80.14504	0.4
81.03347	1.4
83.04866	0.9
85.02856	1.1
95.01283	1.0
95.04915	0.6
96.04454	0.5
97.02828	3.9
97.06480	1.0
107.04941	1.5
108.04442	1.1
109.02344	0.6
111.04394	0.6
113.02431	0.5
113.85364	0.4
122.89327	1.8
123.00776	0.7
123.04440	0.8
124.01526	0.5
124.04742	0.7
125.02341	35.8
125.05991	1.5
125.09664	1.6
139.00275	0.7
146.77582	0.4
151.03920	1.0
151.11296	0.5
153.01491	2.5
168.03909	0.6
168.06595	1.0
168.10190	0.6
168.13840	7.1
169.01337	11.3
169.05051	2.5
169.08691	1.1
169.12317	0.9
169.14116	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0134
Annotation	Gallate
Peak:m/z	Relative Intensity
51.58347	1.6
53.00199	1.7
55.01757	17.1
57.03047	2.8
57.03321	38.7
59.01243	3.4
65.00195	9.5
65.83382	1.4
67.01760	8.7
68.99686	25.2
69.03323	15.7
69.93507	1.4
70.99136	2.2
70.99477	2.5
71.01249	28.9
72.99173	5.3
73.02820	2.4
80.02525	2.3
81.03335	17.4
83.01257	15.3
83.04898	5.8
84.02038	3.8
85.02821	100.0
86.03149	3.1
87.19228	1.6
93.03337	10.7
95.01245	6.6
95.04893	16.9
95.92508	1.5
96.05301	1.6
96.95885	2.6
96.96835	2.1
97.02826	27.9
97.06476	6.3
98.02350	3.0
99.00756	48.4
99.04384	2.7
100.01097	2.2
101.02311	9.9
101.64014	1.7
105.03303	3.2
107.04890	13.3
108.02059	12.4
109.02853	8.3
109.99976	19.7
110.02336	1.5
110.03625	2.2
111.00793	12.1
111.04400	18.7
113.02330	75.9
114.02674	2.8
121.02824	11.3
123.04401	46.8
123.05343	2.9
124.04726	4.3
125.02335	24.0
125.05970	10.9
125.09616	3.8
125.99494	17.2
126.05438	2.0
126.26723	1.8
126.98782	2.6
137.99509	9.0
139.00294	9.0
139.03900	13.7
140.03415	2.0
141.01826	4.0
150.96950	2.6
151.00267	2.1
151.03943	25.3
151.05046	3.3
152.04192	1.7
153.98973	2.8
157.98505	1.6
168.98042	2.5
169.01332	79.9
169.03629	3.3
169.04961	20.1
169.06146	2.6
169.08620	2.5
170.01680	4.9
170.04480	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	171.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.4
59.01252	0.4
61.98705	0.4
65.00199	1.0
68.99709	0.4
71.01244	0.9
83.01266	0.4
83.04883	0.4
85.02810	0.5
98.19665	0.7
99.00751	0.8
99.04347	0.5
99.08031	0.7
99.92471	0.9
106.86056	0.4
109.02837	1.5
109.06477	0.7
111.00745	0.4
113.12350	0.4
123.08056	0.6
125.09626	2.9
127.00227	0.4
127.07565	2.1
127.11179	7.1
130.08635	0.9
144.04463	1.1
152.98221	0.7
153.09074	1.9
171.01897	3.1
171.10182	100.0
171.13811	19.1
172.03914	0.6
172.10551	6.8
172.14183	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	172.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10410	0.2
57.03315	1.6
58.00459	0.3
58.02853	1.0
59.01254	3.0
60.99179	2.6
65.01322	2.1
65.03849	0.7
65.99722	0.8
67.01760	18.4
69.03327	4.2
71.01247	5.0
71.04890	0.5
72.99192	1.3
73.02814	5.7
80.53040	0.2
81.02920	0.4
81.03326	1.9
82.06542	0.3
83.01264	0.5
83.04903	3.6
85.02837	1.7
85.06441	0.4
87.00713	0.4
89.01355	0.7
90.00832	0.4
91.02940	0.4
93.03335	74.6
98.20521	0.5
99.00755	2.1
99.04381	1.7
101.02354	0.5
105.04465	0.4
106.01601	0.3
106.03997	0.5
109.02843	0.9
109.06506	0.4
111.00757	1.1
111.04403	8.8
111.08043	2.5
112.03924	0.2
113.02274	0.4
113.05972	0.2
115.00241	0.5
115.03879	0.5
116.02457	0.4
118.03979	0.5
119.02382	0.9
125.02210	0.3
128.10699	2.8
128.24510	0.3
129.01842	1.0
129.09079	0.3
130.04001	0.9
130.08630	100.0
131.03525	0.7
131.07027	1.1
131.08992	5.1
137.02339	2.5
143.03455	0.6
144.04468	1.6
145.02760	0.9
145.03958	0.6
145.05078	0.9
146.03528	2.1
155.03389	1.5
162.41602	0.3
172.03818	0.7
172.04985	0.4
172.06215	0.9
172.09669	11.0
173.02356	1.3
173.04515	9.6
173.05885	0.6
173.08083	1.1
173.10040	0.8
173.11732	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00196	1.6
55.01759	8.7
57.03331	7.5
59.01251	10.3
60.99170	3.1
67.01763	30.3
67.62701	1.0
68.99688	3.4
69.03343	7.1
70.64854	2.1
70.65189	2.2
71.01254	94.5
71.04879	1.6
72.01593	2.0
72.99184	10.9
73.02820	14.7
81.03329	2.4
83.01256	8.2
83.04886	7.8
85.02835	6.5
85.06459	12.3
87.00753	11.6
93.03337	100.0
94.03674	5.9
96.99191	3.8
99.00759	32.0
99.04397	2.7
101.02338	1.6
109.02841	2.1
111.00756	18.2
111.04406	23.0
111.08020	3.8
112.01088	1.2
112.98700	7.6
113.02346	1.6
114.68463	1.0
115.00256	5.6
124.98705	25.1
127.00284	1.2
129.01836	3.2
129.05475	5.0
137.02342	3.5
142.99763	36.4
145.02844	2.8
154.99821	4.9
155.03418	3.8
173.00835	7.7
173.02321	3.1
173.04485	13.9
173.08093	2.1
173.11646	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0084
Annotation	5-(1,2-Dihydroxyethyl)-2,3,4(5H)-furantrione
Peak:m/z	Relative Intensity
51.13388	1.0
53.00182	1.4
55.01570	0.9
55.01762	9.4
57.03320	8.1
58.02839	1.2
59.01254	8.2
60.99168	1.4
66.12084	1.0
67.01766	13.7
68.99696	2.8
69.03330	2.9
71.01254	100.0
71.04890	3.0
71.49882	1.5
72.01601	1.9
72.99182	8.5
73.02818	12.1
75.00780	0.9
80.71478	1.0
80.99684	1.3
83.01262	11.3
83.04922	5.8
85.02825	15.0
85.03313	1.8
85.06465	24.8
87.00765	10.6
93.03340	38.2
94.03681	2.8
96.99190	2.8
99.00757	33.3
99.04380	2.8
100.07569	2.4
101.02332	1.7
101.05938	0.9
102.03388	2.7
110.99987	1.8
111.00767	33.0
111.04403	22.5
111.08053	1.4
112.01110	1.1
112.98693	15.7
115.00266	5.1
124.98704	28.5
128.07056	4.6
129.01810	3.9
129.05467	8.6
130.02190	1.0
137.02316	1.8
142.99763	48.3
144.00134	1.9
145.02817	3.0
147.04391	2.1
154.99792	3.5
155.03424	12.4
173.00821	11.1
173.02335	5.2
173.04456	16.0
174.01483	2.6
174.07584	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	173.0084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.3
57.03313	2.9
58.00453	1.0
58.01541	0.4
59.01250	3.5
60.99173	3.7
61.79325	0.4
65.03834	0.6
67.01759	26.6
68.02084	1.0
68.99669	1.5
69.03316	5.3
69.84289	1.9
71.01250	37.7
71.04891	0.8
72.00079	0.4
72.01611	0.5
72.99176	7.1
73.02816	10.5
75.00742	1.4
80.99685	0.5
81.03324	1.9
83.01247	3.4
83.04897	4.1
84.05245	0.4
85.02825	2.8
85.06456	1.6
87.00747	3.2
93.03332	100.0
94.03678	4.5
95.01215	0.5
96.99204	1.4
99.00751	14.8
99.04395	2.5
100.98666	1.1
101.02313	1.8
109.02814	1.2
111.00769	3.3
111.04395	14.4
111.08028	4.3
112.04727	0.7
112.08335	0.5
112.98703	2.9
113.02296	0.4
115.00241	4.2
115.03918	0.6
117.72031	0.4
124.98688	8.1
129.01817	1.7
129.05453	0.9
137.02368	2.8
142.99744	12.6
143.03387	0.5
145.01320	1.2
145.02852	1.2
154.99792	2.8
155.03406	2.3
173.00818	4.4
173.02347	2.0
173.04480	9.9
173.05936	0.4
173.08090	2.5
173.11795	1.3
174.01707	0.6
174.05496	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.024
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
55.32717	6.3
56.03639	6.6
59.01249	85.7
67.01808	6.9
68.99685	17.0
70.99524	11.9
71.01255	100.0
71.12949	7.8
72.99194	37.0
73.02808	27.2
75.00764	20.4
78.78577	6.7
82.37179	6.9
83.01273	8.1
85.02816	25.6
85.06462	13.0
87.00745	89.6
93.03346	19.7
96.99213	10.6
99.00730	10.3
100.98685	82.1
101.02299	11.8
113.05988	16.1
115.00252	79.6
115.03888	37.9
124.98671	41.7
127.00288	12.5
127.96561	10.4
127.97421	73.1
129.01819	8.7
131.04932	7.7
135.82265	7.7
142.99744	14.4
147.04398	24.0
150.62433	7.9
157.04906	9.3
163.58723	7.6
172.19475	7.5
175.02454	18.8
175.03835	43.9
175.06075	57.4
175.07393	13.3
176.01039	12.9
176.03401	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	179.0342
Annotation	5,7-dihydroxy-4-methylphthalide
Peak:m/z	Relative Intensity
55.01746	2.9
57.03312	2.5
58.00460	0.6
59.01250	17.5
60.01593	0.7
61.56777	0.7
63.29576	0.6
64.47230	0.5
65.03828	1.3
67.01749	1.3
68.99678	2.8
69.03324	6.4
70.02670	0.6
71.01251	27.1
72.99173	1.6
73.02816	12.4
75.00742	1.7
79.01765	1.8
79.05394	0.7
81.03323	2.6
83.01256	5.4
83.65881	0.6
85.02818	21.5
87.00745	100.0
88.01088	2.4
89.02326	6.6
91.01757	0.8
93.03332	58.8
94.03677	2.3
95.01276	3.7
95.04885	3.9
97.02819	9.9
98.20528	1.8
99.00754	27.4
100.01135	0.8
101.02320	10.4
101.34679	0.6
105.03357	1.8
107.01278	1.7
107.04906	7.3
108.02057	6.6
109.02822	2.5
111.00729	1.0
113.02328	4.3
117.01817	17.3
118.02135	0.8
121.02842	65.0
122.03194	2.2
123.00796	1.5
123.04404	24.7
123.05296	1.4
124.01536	0.7
124.04739	1.1
125.02337	13.8
126.02662	0.7
129.01817	2.6
133.02829	6.1
135.04417	4.7
136.01550	2.3
137.02361	1.7
141.01851	7.7
142.02202	0.7
149.02342	30.5
150.03166	3.7
151.03915	14.5
152.04272	1.3
159.02864	4.9
161.02315	2.1
161.04457	47.7
162.04790	2.4
164.01093	1.7
165.01738	0.7
177.01849	8.8
177.03462	1.0
177.03949	1.1
178.02354	1.5
178.99564	0.7
179.03423	20.3
179.05516	47.6
179.06822	1.8
180.03761	2.1
180.05862	2.4
182.02159	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0554
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
52.72987	1.1
54.65960	1.2
55.01756	2.6
57.03315	2.0
59.01250	22.7
63.81861	1.0
67.83451	1.2
68.99696	1.4
69.03334	6.9
70.36400	3.5
71.01256	32.0
72.99197	3.1
73.02823	13.4
75.00751	13.5
81.03314	2.0
83.01281	5.4
85.02827	19.1
87.00751	100.0
88.01090	1.8
89.02321	7.5
95.01257	1.4
97.02838	7.7
99.00166	2.3
99.00762	25.1
100.01086	1.2
100.76225	1.1
101.02325	8.4
105.01815	1.6
106.20776	1.1
109.72205	1.1
113.02310	4.4
117.01820	14.5
120.85854	1.3
123.00766	1.5
125.02344	12.2
129.01860	1.5
141.01833	7.8
143.03416	2.8
159.02855	3.6
161.04468	49.7
162.04820	2.3
176.50735	1.2
177.04005	1.5
179.05524	53.1
180.05872	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	183.0655
Annotation	cis-3-(Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol
Peak:m/z	Relative Intensity
57.03299	1.8
59.01268	2.0
66.72055	1.9
67.01751	3.0
69.03339	3.9
70.68695	2.6
71.01266	3.6
72.78532	1.9
81.03329	3.4
82.87328	1.5
83.04877	5.4
85.02834	2.7
90.25005	1.7
91.05443	2.0
93.03326	3.7
95.04896	6.8
97.02818	3.4
97.06503	2.2
98.02358	2.1
101.05947	1.7
107.04910	6.3
109.02827	4.8
109.06469	5.9
111.04404	17.1
112.04803	1.7
119.04899	13.2
121.02832	8.1
121.06484	5.1
122.03633	36.3
124.01592	2.7
125.05979	1.8
135.04420	6.2
137.05984	100.0
138.06325	6.8
139.07578	3.1
139.11194	2.1
147.04414	28.2
148.04715	1.9
150.03171	4.5
152.98164	2.9
155.74902	2.0
163.03842	1.6
165.05482	96.8
166.05812	6.9
168.00531	6.3
183.02927	3.7
183.06570	23.6
183.10210	7.3
183.13757	2.4
184.06104	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	183.1382
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
50.00206	0.3
57.03310	0.8
59.01240	1.2
65.01305	0.7
67.01747	0.8
68.99693	0.4
69.03334	0.4
71.01252	0.7
71.51837	0.3
73.02798	0.3
74.00224	0.3
81.03339	0.5
83.01257	0.4
83.04899	1.1
83.20573	0.3
83.22852	0.3
85.02822	0.7
89.01350	0.3
90.00842	0.5
91.02891	0.3
93.03361	0.6
94.02877	0.6
95.01246	0.5
95.04916	0.6
97.02836	0.6
98.02342	0.6
103.94337	0.3
107.04885	0.4
108.04399	0.5
108.70345	0.3
109.02847	0.7
109.06487	0.5
111.00764	1.3
111.04416	0.9
112.00268	0.5
112.03910	0.7
115.02930	0.5
121.06476	1.4
122.02338	0.6
123.00771	0.4
123.04414	0.9
124.01534	1.0
124.03961	1.4
124.98761	0.7
125.02360	0.6
125.05941	0.5
130.03993	0.4
135.04449	0.4
136.98717	0.3
137.05948	0.9
139.00325	0.5
139.03908	0.6
139.07545	1.3
139.11218	0.9
140.07054	1.1
141.05574	0.4
142.04025	0.6
143.04758	0.6
152.98219	0.9
153.00743	0.4
153.05309	0.3
156.05571	1.4
157.05086	2.1
165.01857	0.7
165.05455	1.0
165.12772	0.4
167.99300	0.3
168.00575	1.7
169.01181	0.3
183.00455	0.6
183.02951	1.5
183.06599	4.0
183.10449	3.3
183.13824	100.0
184.06064	2.2
184.14159	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	183.1384
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
52.18558	0.4
52.32977	0.4
57.03329	0.4
59.01248	0.7
59.67268	0.3
67.01754	0.8
69.03322	0.5
70.89056	0.6
83.01212	0.4
85.02828	0.6
89.01357	0.4
95.01267	0.5
97.02836	0.9
111.00787	0.8
111.04432	0.6
111.08078	0.5
112.00290	0.6
112.03920	0.4
121.06454	0.5
123.00711	0.4
124.01536	0.5
124.03922	0.4
129.04504	0.4
137.05994	0.5
139.07550	0.9
139.11116	0.5
140.93935	0.3
143.04805	0.5
145.87282	0.4
152.98196	0.9
156.05579	1.1
157.05130	1.6
161.46933	0.4
165.01839	0.4
165.05417	0.6
168.00507	1.0
180.06508	0.4
183.02907	0.9
183.06624	2.5
183.10513	2.2
183.13831	100.0
184.06107	0.8
184.14195	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	187.0241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00181	2.3
53.37331	1.7
55.01755	15.0
57.03320	5.6
59.01253	10.7
65.00190	6.5
67.01754	5.4
68.99688	30.9
71.01253	100.0
71.38367	1.8
72.01593	2.5
72.04419	2.1
72.99191	11.6
73.02826	5.4
75.00746	9.3
83.01253	28.9
83.04876	2.3
84.01601	2.3
85.02824	10.1
86.06001	2.7
87.00744	3.9
88.03921	3.1
89.02318	19.0
94.40054	1.9
95.81236	2.1
96.04429	2.7
96.99201	14.8
97.06479	10.1
97.99975	6.5
98.02356	28.3
99.00760	84.4
99.04417	10.0
100.01060	2.4
100.03950	2.3
100.98684	2.4
101.02320	12.2
111.00783	13.0
112.03891	1.8
112.98708	2.9
113.02316	4.0
114.04740	2.8
114.05483	22.0
115.03873	3.8
116.03438	16.2
116.07055	7.0
117.01810	7.2
123.08025	4.1
124.03959	2.5
124.98677	7.2
125.02348	11.5
125.05975	8.9
125.09618	58.9
125.99506	8.4
126.05482	3.9
126.09923	4.3
127.00275	36.2
129.01816	7.3
131.03354	2.5
136.98669	3.6
140.56425	2.1
141.01817	2.9
142.04985	24.6
142.99770	16.5
143.03412	3.3
143.04530	3.5
143.07057	9.8
143.11798	4.8
144.02939	13.6
144.04451	30.2
144.06519	13.2
145.01279	3.7
154.99742	15.1
157.01358	8.3
159.02882	3.8
159.04306	4.0
169.01335	15.1
169.04956	11.3
169.08594	2.3
187.02383	25.6
187.03905	5.2
187.06068	15.9
187.07649	4.9
187.09587	28.5
187.13307	3.3
188.03271	11.0
188.05579	15.3
188.09175	3.2
208.97610	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0968
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
52.95548	0.7
54.54038	0.8
55.01748	1.0
57.17250	0.7
59.01250	1.4
65.01311	1.7
65.99705	0.9
69.27890	3.5
69.28321	2.9
71.01257	13.0
72.45781	0.7
72.99187	12.8
82.83976	0.8
87.00748	2.4
91.02909	0.9
97.06472	100.0
98.06802	6.4
99.00764	17.0
100.01107	1.1
105.06921	1.3
107.08567	6.0
117.01852	1.1
118.04013	0.8
119.02403	1.7
123.08057	29.0
124.08392	1.5
125.09621	11.6
126.09966	1.3
133.03966	1.7
134.03520	0.9
141.09143	2.1
144.04491	0.9
146.03543	0.8
151.07559	23.6
152.07938	2.1
157.04961	0.7
159.04286	0.8
160.03929	1.1
160.05121	4.0
161.04617	1.2
167.07060	2.0
169.08562	6.2
170.67871	0.7
187.03963	1.4
187.06255	3.6
187.09689	80.5
188.09972	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	187.097
Annotation	Nonanedioic acid
Peak:m/z	Relative Intensity
51.86327	0.3
52.98458	0.3
57.03324	4.0
57.42295	0.3
57.89532	0.2
59.01250	5.7
64.56274	0.3
65.01320	1.1
69.03344	0.4
69.32573	0.6
69.32976	2.1
71.04898	0.4
75.12873	0.3
80.02548	0.5
83.04887	0.7
91.02921	0.4
95.04938	0.6
97.06467	12.7
98.06783	0.6
98.19800	0.5
99.08031	1.9
106.03985	0.4
118.04025	0.3
119.02390	0.5
123.08046	6.5
124.08424	0.4
125.09614	100.0
126.09953	7.1
127.07564	0.6
130.03996	0.3
133.03964	0.8
134.03519	0.6
142.04059	0.3
143.10689	2.2
145.05084	0.6
145.08603	5.6
146.03476	0.5
146.08868	0.5
147.04189	0.5
160.05067	1.8
161.04558	0.4
169.08600	2.7
187.06131	1.9
187.09679	40.3
188.10040	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	187.097
Annotation	2-methylbutyl (acetyloxy)acetate
Peak:m/z	Relative Intensity
51.89574	0.9
57.03325	2.2
58.02853	1.1
59.01251	93.1
60.01594	2.0
64.52345	0.9
65.01314	9.1
65.99713	6.1
66.00842	0.9
66.03402	1.1
71.01256	2.7
71.52356	1.4
73.02843	0.9
77.01334	1.4
82.02854	0.9
85.02827	1.4
87.04444	0.8
90.00846	1.5
91.02911	4.8
92.02405	1.7
97.06490	6.3
99.00764	1.5
99.08035	28.1
100.08416	1.5
105.04447	1.3
106.03989	3.0
107.04308	0.9
109.54864	1.0
110.82217	0.9
116.02486	1.7
117.04456	1.1
118.02856	1.5
118.03995	3.8
119.02386	4.6
120.05528	1.8
121.03964	0.9
121.05128	1.0
122.03503	2.2
123.08044	3.8
125.09615	38.4
126.09944	3.5
127.07565	9.6
130.04005	3.1
132.05553	2.5
133.03993	7.9
133.04936	1.6
134.02455	0.9
134.03487	2.6
142.04008	1.6
144.04405	3.1
144.05495	2.3
145.02740	1.2
145.05107	4.7
145.08614	100.0
146.03510	4.2
146.05998	1.1
146.07111	1.3
146.08899	5.8
147.03137	1.1
147.04309	2.3
157.05067	1.5
159.03017	1.1
160.03883	2.2
160.05080	16.9
161.03423	1.9
161.04613	4.1
168.88824	1.4
169.08533	1.2
187.03885	2.4
187.06171	11.2
187.07632	2.9
187.09682	17.7
187.13297	1.6
188.04521	1.6
188.05844	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0343
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03316	0.9
59.01236	1.1
63.11180	0.2
67.01767	0.5
68.99694	0.3
71.01235	1.0
73.02803	0.3
81.03335	0.5
83.04914	0.3
83.06450	0.2
85.02824	9.4
86.03185	0.4
87.00750	7.1
90.96569	0.2
91.01765	0.5
93.03339	2.4
95.01279	0.3
99.04405	0.4
107.02413	0.2
107.04935	0.2
109.02851	0.3
111.00765	11.5
111.04395	0.6
112.01124	0.5
119.04906	2.0
121.02844	100.0
122.03172	6.0
127.03899	1.3
129.01817	0.4
133.02882	0.2
146.03517	0.2
147.04419	7.0
148.04898	0.5
163.00221	0.4
163.03902	0.9
164.04517	0.2
171.02937	0.4
172.54579	0.2
173.00896	0.2
173.04488	0.5
176.01030	1.0
191.01877	0.9
191.03474	8.1
191.05548	20.6
191.06830	0.8
191.10764	0.6
192.03804	0.7
192.05936	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0711
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
55.01749	8.0
57.03318	8.1
57.60566	1.8
58.00454	4.8
59.01251	60.6
69.03321	9.1
70.41997	4.5
71.01252	85.7
71.04886	7.0
72.01581	2.2
72.99194	9.9
73.02817	45.6
73.03203	4.1
81.03328	35.3
83.01257	15.4
84.02037	5.4
85.02829	33.7
85.99977	21.0
87.00761	17.6
89.01250	1.9
89.02316	6.7
95.01240	5.0
97.02831	14.8
98.19769	2.4
99.00772	7.9
99.04398	12.3
101.02323	90.3
111.00790	3.2
113.01208	2.7
113.02332	15.4
115.03907	4.6
124.01576	4.6
125.02334	7.0
134.03546	2.7
143.03419	10.5
161.04460	2.9
175.06038	5.8
178.02663	6.6
193.05147	5.5
193.07118	100.0
194.07506	6.7
195.64598	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	195.1382
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
59.01259	6.2
61.98703	1.1
66.03363	1.5
68.99666	0.9
69.03339	1.7
71.01247	2.0
71.50732	1.1
73.02820	1.1
75.00753	1.2
81.03310	0.8
83.01266	1.2
83.04884	1.4
85.02841	1.6
92.18082	0.7
93.03329	1.0
95.04886	1.5
97.02831	2.0
101.02347	0.9
103.91914	1.4
107.04929	1.3
108.02057	1.2
109.02821	3.3
110.02358	1.5
121.02834	3.1
121.06462	2.4
122.03625	1.5
123.00775	1.1
123.04401	4.9
123.08059	1.8
125.02309	2.4
133.06459	1.3
135.00714	0.8
135.04399	1.1
136.05200	2.4
137.02324	2.2
149.06026	0.8
150.03128	5.4
151.03879	2.5
151.07582	3.9
160.84120	4.8
165.01825	4.4
165.05487	8.3
167.03389	1.1
167.07083	1.5
169.05170	0.9
173.63208	0.7
176.98338	0.9
177.05504	1.0
177.12784	5.2
180.02821	1.1
180.04237	8.3
194.99266	1.2
195.02898	2.4
195.04880	1.4
195.06606	12.9
195.10236	2.2
195.13835	100.0
195.81163	1.9
196.05972	1.6
196.14177	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	197.1177
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.50072	0.4
57.03324	0.5
59.01263	1.8
61.51081	0.4
61.98691	1.1
65.00180	0.9
69.03325	2.4
70.71748	1.0
81.03341	0.6
82.02859	0.6
83.04893	1.6
85.02792	0.7
87.94426	0.4
93.03334	0.4
95.01256	1.7
96.04433	0.6
96.95856	0.5
97.02863	0.4
97.06484	0.5
109.02818	1.2
109.06448	0.7
110.02312	0.4
111.00779	0.5
111.04362	0.8
112.03912	0.5
116.92740	1.3
121.02847	0.9
123.00773	4.8
123.04393	0.5
123.08062	1.1
125.02328	1.0
125.05972	0.4
125.09586	0.7
126.01864	0.3
126.90392	1.1
135.04399	0.5
135.08061	0.8
137.02344	0.9
137.09549	0.4
138.03123	1.9
141.09119	1.0
151.11198	0.9
153.01865	0.7
153.05537	1.1
153.09142	3.1
153.12752	4.2
162.83846	0.8
164.01013	0.4
166.99788	3.2
167.03615	0.4
169.12256	18.5
170.12630	1.1
178.99786	1.8
179.03444	0.9
179.10722	2.0
182.02147	7.6
197.00781	0.7
197.04596	3.4
197.08092	2.6
197.11765	100.0
198.03900	0.4
198.07771	0.8
198.12120	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56096	0.3
57.03303	0.4
58.34162	0.3
59.01252	2.1
61.98687	0.6
65.00201	1.1
69.03331	3.6
71.01264	0.5
72.99174	0.3
81.03307	0.5
82.02909	0.4
83.04910	2.2
93.03358	0.6
95.01292	2.0
95.04918	0.4
96.04449	0.6
97.02791	0.6
97.06470	0.7
109.02836	1.4
109.06458	0.6
111.00751	0.4
111.04415	0.6
116.92743	0.4
121.02828	1.5
123.00779	4.2
123.04416	0.6
123.08038	1.3
125.02324	1.1
125.05932	0.4
125.09609	0.4
126.90387	0.8
135.04430	0.5
135.08014	0.8
137.02353	0.7
138.03148	1.3
141.09117	1.0
151.03992	0.3
151.11221	1.0
153.01823	0.4
153.05498	1.3
153.09096	2.7
153.12776	5.2
153.13928	0.7
154.13112	0.5
160.84183	1.7
162.83835	4.6
163.31401	0.3
166.99767	4.0
169.12256	17.7
170.12552	1.7
178.99840	2.7
179.03371	0.8
179.10739	1.9
182.02122	7.5
183.02426	0.7
197.00786	0.6
197.04559	3.5
197.08112	2.4
197.11763	100.0
197.80769	2.1
198.12106	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1177
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.12039	0.3
56.07738	0.3
57.03304	0.4
59.01248	1.5
65.00195	0.4
65.01305	0.5
69.03342	2.9
71.01263	0.7
71.04881	0.4
72.88799	0.3
81.03328	0.5
83.04893	1.7
85.02845	0.3
85.90228	0.3
93.03392	0.4
95.01269	1.2
95.04913	0.4
97.02825	0.5
99.08030	0.4
107.04880	0.5
109.02819	0.8
111.00731	0.3
112.03896	0.4
121.02850	1.3
121.06512	0.5
123.00780	4.1
123.04375	0.7
123.08057	0.8
125.02373	0.8
125.05979	0.5
125.09586	0.7
126.90392	0.8
135.04396	0.6
135.08066	0.5
137.02336	0.9
138.03127	1.3
141.09105	0.9
144.05646	0.5
147.44998	0.4
151.03908	0.5
151.11185	1.0
153.05492	1.1
153.09129	2.6
153.12755	4.5
160.84152	0.5
162.83870	1.2
166.99805	3.6
169.12270	20.3
170.12592	1.8
171.06677	0.8
178.99788	0.9
179.03394	0.9
179.10704	1.7
182.02151	5.5
197.04604	2.8
197.08122	2.5
197.11774	100.0
197.80734	0.7
198.07761	1.1
198.12097	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	205.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28236	1.9
55.01743	7.2
58.00458	1.9
59.01252	78.0
60.01599	1.7
60.99150	2.4
68.99693	10.3
70.79378	3.9
71.01255	76.0
72.01630	2.1
72.99183	42.2
73.02814	11.0
73.78841	1.8
75.00742	34.5
81.87167	1.7
83.01257	11.3
84.99184	4.0
85.02814	3.9
87.00750	53.8
88.98672	2.4
89.02283	6.5
96.99197	6.6
99.00163	3.3
99.00756	35.5
101.02314	8.8
103.00249	9.0
111.00771	20.8
111.52998	2.0
112.98682	5.9
115.00255	100.0
116.00584	1.9
117.01826	16.3
124.98693	12.7
125.02299	8.7
127.00258	12.9
129.01851	17.9
130.99765	17.2
133.01360	2.2
142.99786	25.3
144.00470	6.6
144.80820	1.8
145.01331	28.6
154.99760	18.5
157.01340	7.3
173.00833	3.8
175.02402	13.8
187.02394	2.4
205.03467	8.8
206.04213	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	205.1592
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
58.02835	0.1
59.01246	0.3
70.26237	0.4
71.01244	0.3
72.99178	0.2
85.02804	0.2
87.00766	0.2
87.06440	0.1
93.03313	0.2
99.00777	0.2
111.00790	0.3
115.00236	0.3
117.03371	0.1
133.02864	0.2
136.48016	0.1
147.04457	0.2
161.02382	0.3
161.05998	0.2
162.89209	0.1
164.07094	0.3
177.01888	0.2
189.12790	1.8
190.02594	0.1
190.13123	0.3
192.41434	0.1
205.05148	0.8
205.15915	100.0
206.16255	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	206.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83480	1.6
50.91816	1.6
51.83830	1.9
55.63046	1.9
57.03313	6.5
58.00456	2.7
58.02850	3.1
59.01258	36.0
60.99178	4.0
68.99694	12.6
71.01251	25.8
71.51115	3.2
72.01602	3.4
72.99187	35.7
73.02810	6.9
75.00748	28.3
75.25042	1.7
77.16823	1.8
83.01253	6.9
83.04819	1.8
84.99169	4.3
85.02832	14.1
87.00749	64.9
89.02302	3.0
97.72514	1.9
99.00758	20.0
100.01028	2.9
100.98680	7.7
101.02342	7.3
103.00256	13.9
109.02763	2.1
111.00755	2.8
112.98678	16.9
113.02313	4.6
115.00266	5.8
117.01830	6.3
127.00253	5.5
129.01836	21.3
130.02155	2.2
130.99760	100.0
132.00021	2.0
142.99722	4.5
144.00584	14.5
145.01338	56.9
146.01691	2.9
147.02985	3.4
147.04436	2.7
157.01332	24.7
160.01917	1.9
163.07520	2.7
164.07091	3.6
177.01826	4.1
192.04208	7.2
206.04198	24.6
206.08388	2.1
207.03116	3.6
207.04994	14.1
207.06660	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.118
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28731	1.5
57.03321	4.2
59.01245	11.7
61.98706	1.6
66.51879	1.1
69.03336	28.7
69.29408	8.6
71.04891	4.3
72.69936	1.1
81.03346	1.3
83.04897	3.6
93.03339	3.5
95.04899	2.2
97.06460	1.7
108.05683	2.1
109.06503	1.9
111.08042	4.6
113.48948	1.1
121.02852	20.4
121.10125	1.5
122.03162	1.4
124.03902	1.9
127.07557	2.4
135.08080	3.1
139.07567	2.6
147.11720	1.7
153.09148	8.1
163.11229	4.3
165.09149	4.1
165.12776	21.3
166.13170	1.9
173.09647	1.7
181.12285	28.5
182.12564	3.2
191.08997	1.8
191.10732	29.3
192.10989	3.6
208.74004	1.2
209.04530	4.3
209.11789	100.0
210.12167	9.3
229.95839	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1178
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
50.29335	0.3
55.01754	3.2
57.03325	2.1
59.01233	0.5
61.98703	1.2
69.03327	1.1
70.60316	0.3
70.89669	0.6
71.01251	0.9
71.04899	1.0
80.02557	1.3
81.03329	5.1
83.01262	28.6
83.04905	5.5
84.01589	1.0
84.02051	1.5
92.78520	0.4
92.99712	0.6
93.03342	0.9
94.02866	0.8
95.01219	0.3
95.04900	2.0
97.02843	0.4
97.06470	4.4
106.04107	0.5
107.04924	0.5
109.06469	0.8
111.08020	0.8
121.02853	17.5
122.03168	0.6
123.04332	0.4
123.08077	2.8
124.03951	2.2
125.02380	0.4
125.09618	24.8
126.09942	1.6
133.42790	0.3
135.04449	0.8
135.08096	2.5
136.01605	0.4
137.02275	0.4
137.06026	0.6
137.72069	0.3
141.93929	0.3
147.11708	1.2
161.09660	0.4
163.11191	11.9
164.11508	1.0
165.05426	0.8
165.12775	4.2
166.13150	0.8
167.10689	0.5
173.09637	0.7
179.03432	0.6
181.12254	1.7
191.10721	9.6
192.11037	0.8
194.02191	0.5
194.05833	0.6
209.04530	3.0
209.11778	100.0
210.12119	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	209.1177
Annotation	Pulchellon
Peak:m/z	Relative Intensity
55.01749	1.1
57.03328	5.7
59.01240	3.4
59.60607	0.8
61.98698	3.7
67.01760	1.2
68.99672	1.2
69.03316	2.5
70.15455	2.9
71.01254	24.6
71.04896	1.5
71.54480	0.8
73.02801	1.4
78.53880	0.8
80.02538	1.4
81.03331	3.2
83.01250	5.1
83.04900	6.5
83.65258	0.8
84.02060	1.5
85.02828	1.9
92.99694	2.1
93.03342	3.8
94.02867	4.0
95.01270	0.9
95.04898	4.0
97.06483	5.3
98.19812	1.1
99.71907	0.8
106.04128	0.9
107.04883	1.1
108.02035	1.1
109.02805	1.3
109.06470	1.2
111.08029	2.1
118.23062	0.9
120.02048	0.9
121.02845	65.2
121.06476	0.7
122.02434	0.9
122.03095	3.9
123.04366	1.1
123.08009	1.9
124.03937	11.3
125.02304	1.4
125.09621	12.2
134.03583	1.4
135.04375	1.3
135.08069	3.2
136.01559	0.8
136.98708	1.1
137.02354	0.9
137.05959	2.2
137.09619	2.1
139.03839	1.3
145.10101	2.3
147.11682	2.8
148.12088	0.8
149.09583	1.1
151.03957	1.0
151.11182	31.0
152.11516	2.2
153.12769	3.0
161.02377	1.0
161.09608	2.1
163.11217	9.7
165.01904	1.1
165.05473	1.7
165.09050	1.3
165.12761	19.9
166.13112	1.6
167.03413	1.0
167.10680	1.9
173.09613	2.5
179.03378	2.7
179.10692	4.8
181.12265	35.2
182.12642	3.7
191.10707	18.7
192.11021	1.4
194.02176	1.4
194.05835	2.1
209.00888	1.3
209.04520	10.9
209.08423	2.4
209.11771	100.0
210.07605	1.3
210.12123	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	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.9
65.01334	0.5
71.51685	0.4
80.02545	3.3
81.03323	2.2
83.01237	0.7
83.04901	9.2
85.02823	0.6
93.03345	1.1
94.02886	0.5
95.04893	1.6
97.03970	0.3
97.06483	0.7
107.04879	0.5
109.02855	0.4
109.06478	0.9
111.29924	0.4
118.41823	0.4
121.02844	17.6
122.03209	1.1
123.04456	0.6
124.03937	1.9
125.05971	1.3
135.04405	0.4
135.08057	1.0
137.02330	0.6
137.05893	0.5
151.03894	0.6
156.05595	0.8
163.11197	6.7
164.11469	0.6
165.05450	0.7
165.09050	0.5
165.12778	5.0
172.46466	0.4
179.03416	1.1
181.04951	0.6
181.12297	1.3
183.06665	1.2
191.06982	0.5
191.10732	2.0
194.02130	0.6
194.05843	0.7
203.24017	0.4
209.04469	2.8
209.11774	100.0
210.07985	1.0
210.12122	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	209.1178
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
57.03327	3.3
57.94968	0.4
59.01252	100.0
60.01587	1.2
61.98688	0.5
69.03342	0.5
73.82201	0.5
80.02549	0.7
81.03326	1.3
83.04896	1.1
93.03320	0.6
94.02870	1.0
97.06481	2.7
98.19760	1.1
107.94745	0.6
109.06444	3.6
121.01963	0.9
121.02844	17.2
122.03104	0.6
124.03921	2.8
137.06020	0.7
137.09680	0.6
150.03200	0.5
163.11253	0.9
165.12773	4.4
183.06683	0.8
193.67548	0.5
194.05835	0.8
196.63626	0.5
209.04491	3.5
209.08345	1.0
209.11777	20.2
210.07784	1.0
210.12123	2.1
225.50044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1178
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
56.86401	0.3
57.03337	0.3
59.01244	0.8
65.01310	0.5
65.99721	0.3
68.00372	0.3
69.03337	0.3
71.01270	0.4
71.51578	0.4
80.02547	2.9
81.03327	2.2
81.65431	0.3
83.01256	0.7
83.04900	9.4
85.02827	0.4
91.01788	0.3
93.03329	1.0
94.02837	0.9
95.04914	1.5
97.02812	0.6
98.02402	0.3
108.02014	0.4
109.02817	0.5
109.06506	0.4
121.02845	17.4
122.03156	0.7
123.00694	0.3
123.04391	0.6
124.03927	2.4
125.05965	1.0
125.22673	0.3
135.04428	0.4
135.08049	1.5
137.02359	0.7
137.05978	0.5
138.03029	0.3
139.03871	0.4
142.04076	0.3
149.02383	0.3
150.03082	0.5
151.03920	0.3
156.05533	1.1
163.11198	8.4
164.11551	0.7
165.05450	0.7
165.12781	4.3
179.03494	0.6
181.05032	0.4
181.12268	1.5
183.06734	1.1
191.10735	1.7
194.02124	0.6
194.05821	0.6
196.86369	0.3
209.04498	3.9
209.11766	100.0
210.07751	1.2
210.12111	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	209.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25951	1.2
57.03324	5.1
59.01255	15.8
61.98717	3.0
69.03339	32.8
71.01285	1.3
71.04893	4.5
80.02552	1.7
83.04910	4.5
93.03367	3.9
94.02898	1.7
95.04897	3.6
97.06480	2.4
98.20605	2.0
108.05650	1.9
109.06509	2.3
111.08038	5.3
121.02858	38.8
121.10115	3.1
122.03160	2.3
124.03922	3.9
127.07568	2.8
135.08069	2.0
137.09622	1.5
138.09825	1.5
138.80566	1.4
139.07565	1.8
147.11685	2.5
153.09097	8.1
163.11226	6.1
165.09145	3.2
165.12801	19.6
166.13055	2.0
173.09692	1.9
181.12280	23.3
182.12552	1.8
191.10742	25.3
192.11052	3.5
194.02074	1.9
209.04520	5.8
209.11801	100.0
210.07758	2.5
210.12163	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	211.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23267	0.4
50.65262	0.5
58.65601	0.4
59.01242	1.3
61.98699	1.8
69.03322	1.1
70.76826	0.4
71.51872	0.5
73.02776	0.4
77.40410	0.4
81.52502	0.5
83.04925	1.0
95.01264	1.7
108.30347	0.5
109.02861	0.8
109.06524	0.6
110.06476	0.5
118.10358	0.5
123.00784	1.2
123.04385	0.7
123.08060	0.7
125.02338	0.8
137.02344	0.9
137.39941	0.5
147.81874	0.4
153.05458	0.5
165.12791	0.6
167.10680	1.4
167.14334	2.0
169.96123	0.5
183.13841	15.2
184.14133	1.3
193.12297	4.4
196.03696	1.2
211.05998	2.9
211.13350	100.0
212.07382	0.6
212.13695	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	211.1334
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
57.03319	0.2
59.01247	0.5
61.98690	0.5
69.03323	1.0
83.04900	0.6
95.01259	0.5
97.06446	0.4
98.20564	0.5
109.02867	0.6
123.08035	0.3
125.02319	0.5
125.04265	0.3
139.00198	0.2
139.03894	0.4
150.86981	0.2
153.05490	0.3
153.09000	0.3
155.10657	0.8
157.05084	0.3
165.12773	0.5
167.06059	0.3
167.10696	1.0
167.14316	2.1
178.84061	0.3
181.01283	0.3
183.13832	14.5
184.14169	1.7
193.05060	0.2
193.12270	3.8
194.12552	0.5
196.03767	0.4
211.13338	100.0
212.03505	0.2
212.13684	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	213.1491
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
56.86760	0.7
70.79508	1.3
71.68668	0.7
71.72815	0.6
73.25931	0.7
108.50494	0.7
119.02567	0.6
183.13844	29.1
184.14198	2.4
195.13841	23.7
196.14166	2.5
211.13240	0.8
213.14906	100.0
214.15265	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	213.149
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
50.81123	0.2
59.01241	0.3
69.56194	0.9
69.56609	0.7
73.42249	0.2
75.93222	0.3
153.03311	0.2
155.46609	0.2
165.12727	0.2
167.14346	0.3
177.12798	0.6
183.13828	28.4
184.14175	2.4
195.13834	22.3
196.14203	1.8
211.13362	0.7
213.14902	100.0
214.15245	10.0
224.08804	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63138	0.3
59.01271	0.7
61.47903	0.4
61.98700	0.3
63.65358	0.3
64.09457	0.3
65.01315	0.8
70.37433	1.0
96.61958	0.3
106.03997	0.9
107.27135	0.3
108.58128	0.4
116.02442	0.5
125.09624	0.4
131.03496	0.4
144.05513	0.4
151.11229	0.6
169.12253	1.1
171.06711	1.0
172.06216	0.6
173.04623	0.4
176.98207	0.8
183.13835	27.0
184.14137	2.3
187.06195	1.1
194.99286	0.6
195.13841	22.2
196.14131	2.4
211.13280	0.6
213.14908	100.0
214.07397	0.5
214.15256	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	213.1491
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
55.15150	0.3
59.01239	0.3
59.96093	0.3
60.79550	0.3
65.01327	0.6
84.09708	0.3
94.18708	0.3
97.02804	0.3
98.19793	0.9
99.81252	0.3
101.20866	0.3
103.91506	0.3
105.94646	0.3
106.04019	0.4
107.23126	0.3
110.68569	0.3
119.06048	0.3
125.09608	0.6
139.07571	0.3
144.05551	0.4
145.05031	0.4
160.05072	0.5
165.12799	0.4
169.12267	0.8
171.06676	0.4
172.06158	0.4
173.04602	0.4
176.98239	0.3
177.12683	0.5
183.13829	28.4
184.14180	2.5
187.06129	0.5
194.99367	0.4
195.13838	22.3
196.14143	1.8
211.13315	0.8
213.00029	0.3
213.14909	100.0
214.07413	0.4
214.15259	10.6
229.16287	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1646
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
59.01241	1.5
61.98689	0.7
65.00172	0.6
67.41370	0.4
68.58773	0.3
69.95192	1.1
71.01252	0.5
73.02819	0.5
93.03333	1.0
95.01243	0.4
99.00739	0.4
111.04408	0.6
122.89303	2.2
137.02344	0.9
139.11172	1.5
144.00807	5.0
169.15904	5.4
169.83542	0.4
171.01935	0.8
172.00285	0.6
186.89705	1.9
197.11703	0.4
197.15459	1.9
207.11990	0.4
213.14870	1.0
215.00938	31.2
215.05406	0.9
215.07428	1.8
215.09131	1.1
215.16472	100.0
215.99443	0.4
216.01196	2.4
216.13591	0.4
216.16808	9.3
216.18907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16911	1.2
55.01751	1.8
57.05032	1.3
59.01244	4.8
63.26859	1.1
69.03324	3.2
70.01608	5.2
71.01244	4.0
71.04877	6.1
72.99178	38.6
73.02810	1.7
77.22952	1.4
81.03332	15.1
82.02818	1.7
83.01249	5.4
83.04893	75.9
84.02038	12.8
84.05206	2.5
85.02819	2.2
89.02287	1.5
93.03332	5.1
95.04911	9.4
96.84877	1.7
97.02815	5.0
97.06470	16.0
98.02341	4.0
99.00771	1.8
99.04407	3.1
101.02293	2.9
107.04910	24.4
109.02825	4.3
110.03627	3.0
111.04404	47.8
111.54836	1.3
112.04736	1.9
113.05952	1.5
115.03889	29.0
122.80839	1.5
125.05976	55.2
126.05503	2.0
126.06307	3.1
127.03902	100.0
128.04190	6.9
129.05460	9.3
137.02312	3.9
137.05963	6.5
138.05467	1.6
155.03404	85.8
155.06952	3.6
156.03696	3.7
169.04887	1.4
171.02844	5.0
172.05988	2.9
173.00858	3.1
173.04411	1.4
174.07556	4.6
176.54059	1.2
189.03915	3.7
199.02412	37.5
200.02747	3.9
217.03569	28.1
217.07097	53.9
217.10455	2.4
218.03789	1.8
218.06813	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	217.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70128	1.2
55.01753	1.3
59.01249	7.1
59.01503	1.2
66.04301	1.2
67.54659	1.6
69.03316	4.0
69.54317	1.1
71.01254	7.6
71.04891	7.3
71.39019	1.4
71.39351	1.7
72.98783	1.9
72.99178	33.9
73.02804	5.5
81.03331	11.4
83.01248	2.4
83.04895	73.1
84.02047	17.1
84.05235	3.4
85.02827	6.0
87.04366	1.7
87.99629	1.2
88.03899	6.4
93.03329	5.0
95.04896	13.1
97.02827	8.7
97.06469	14.4
97.21901	1.5
99.00733	2.4
99.04391	2.6
101.02307	2.1
107.04910	25.8
109.02847	4.2
110.03619	3.1
111.04399	50.4
112.04720	2.3
113.05914	1.5
114.69787	1.3
115.03104	2.3
115.03894	32.0
115.30622	1.1
119.04909	1.8
123.04448	2.0
125.05976	47.3
126.06274	2.5
127.03903	100.0
128.04219	4.3
129.05466	9.1
129.54105	1.2
137.02328	5.8
137.05942	7.6
139.03889	5.3
142.99687	2.0
145.46355	1.3
146.08093	4.1
151.03877	2.2
155.03400	86.9
155.06975	5.1
156.03741	4.2
164.16144	1.2
169.04913	1.9
169.08124	1.7
171.02837	3.0
173.00774	2.6
173.04485	1.6
173.05873	1.3
173.08015	2.4
181.05104	1.6
187.00468	2.1
187.09636	1.7
189.03964	3.7
199.02420	50.6
199.06111	2.5
200.02704	4.3
217.01465	2.1
217.03447	21.6
217.07077	53.5
217.10658	3.8
218.07245	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	217.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	2.3
57.03323	0.7
58.00439	0.7
59.01243	4.6
65.16975	0.5
66.35288	0.5
67.05373	0.9
69.03336	3.3
69.36394	2.7
69.36821	1.6
71.01257	3.6
71.04892	7.6
72.04356	0.7
72.99180	34.4
73.02799	2.4
79.05397	1.3
81.03329	10.6
82.02837	2.1
83.00803	0.8
83.01256	9.0
83.04897	66.1
84.01561	1.1
84.02042	19.4
84.04397	0.7
84.05235	2.5
85.02811	2.4
85.06451	1.6
86.02319	0.6
88.03886	0.6
89.02312	0.7
93.03331	4.2
95.01254	0.9
95.04322	1.0
95.04899	13.9
96.04411	1.5
96.05263	0.8
97.02824	2.8
97.06462	16.5
98.02350	6.3
98.05992	2.5
98.06815	1.1
98.19861	1.1
99.00742	1.9
99.04385	2.6
101.02333	3.1
105.77097	0.5
107.04909	30.8
108.02045	1.0
108.04496	0.7
108.05232	1.6
109.02831	3.6
109.06465	1.5
110.03614	3.3
110.05983	0.7
111.00739	0.9
111.04408	43.6
112.04762	2.3
113.02322	1.0
113.05969	1.2
114.05457	2.2
115.03890	28.8
119.04926	2.6
121.02940	0.7
122.03558	0.7
123.04442	0.9
124.03943	1.8
125.02335	1.0
125.05977	64.2
126.05579	3.3
126.06229	3.3
127.03904	100.0
128.04254	5.2
129.05460	9.3
137.02351	4.8
137.05981	7.5
138.05501	2.1
138.06407	0.7
139.03938	0.9
142.04990	2.4
142.99783	2.2
143.01495	0.6
143.03365	0.8
143.07068	0.6
145.01344	0.9
151.03941	1.0
153.05598	0.9
155.03406	86.3
155.06946	4.5
156.03761	4.4
156.06577	1.3
169.05055	1.5
171.02892	6.0
172.06050	3.7
173.00891	3.5
173.04546	1.5
173.08000	0.6
174.07640	7.4
186.32019	0.6
187.00519	0.9
187.06062	0.8
189.03967	3.0
199.02414	43.8
200.02803	2.6
217.01489	0.9
217.03571	24.4
217.07098	54.9
218.03957	1.5
218.06870	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	217.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91408	1.7
52.91663	2.0
55.01746	3.7
59.00994	2.2
59.01252	26.0
69.03316	7.4
70.67373	2.9
70.67720	3.7
71.01259	10.0
71.04882	5.6
72.99187	22.6
73.02808	8.0
79.05417	3.0
81.03323	13.1
83.01253	4.9
83.04903	61.4
84.02037	44.1
85.02357	2.2
85.02808	7.7
89.02320	2.1
90.03042	1.8
93.03321	5.5
95.04897	23.1
97.02826	10.5
97.06470	36.3
98.02331	2.9
99.00769	4.0
99.04391	3.6
101.02308	3.9
107.04910	62.1
108.02029	2.2
108.05242	4.0
109.02833	4.4
109.06469	2.5
110.03605	6.1
111.04408	37.3
112.04733	2.4
115.03883	25.0
116.98907	2.1
119.04886	5.8
122.03630	2.7
123.04424	3.7
125.05979	100.0
126.06338	5.9
127.03907	70.6
128.04208	3.5
129.05469	4.2
137.02283	5.8
137.05992	13.9
139.03886	5.0
151.03912	5.0
155.03416	41.9
155.06998	5.0
156.03712	2.5
169.05002	4.4
174.99109	3.6
187.06007	2.2
199.02428	18.7
199.06056	3.0
200.02588	2.2
214.01471	1.9
217.01633	3.1
217.03461	5.6
217.05231	3.9
217.07097	65.4
217.10403	2.8
218.07199	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	223.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56015	0.2
59.01252	1.2
59.96593	1.2
61.98704	1.1
66.66730	0.2
71.01251	0.7
71.38493	0.2
73.01012	0.2
73.02805	0.4
74.98946	14.9
75.96078	0.8
75.98895	0.6
83.01276	0.2
85.02834	0.5
93.00011	9.6
93.99968	0.2
94.84864	0.2
101.02310	0.8
111.22912	0.2
113.02305	0.2
117.56335	0.2
135.04335	0.2
149.00861	12.6
150.00890	0.8
150.98784	0.9
151.03868	0.4
161.09578	0.2
165.01718	0.2
166.06271	0.7
179.10698	0.2
193.01335	0.8
195.13838	0.9
206.99657	5.4
207.99748	0.6
208.03694	1.0
223.02779	100.0
223.13272	2.2
224.02814	14.0
225.00803	0.2
241.03885	2.4
242.03954	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1335
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
57.03311	1.2
59.01253	5.6
62.00954	1.0
62.35181	0.9
64.72555	0.9
66.24093	0.8
69.03328	8.4
69.37775	4.8
69.38184	1.7
71.04883	3.0
83.04903	0.9
85.06454	1.5
95.04903	1.6
97.32227	0.9
103.45744	1.0
109.06476	2.1
111.06877	1.0
111.51380	0.9
124.62031	0.8
149.09631	2.0
153.09038	1.4
161.13293	1.1
167.10687	9.9
168.10909	0.8
177.12689	1.5
179.10718	4.1
179.14328	10.3
180.14735	0.9
195.13826	29.6
196.14171	2.5
196.44191	0.9
200.59859	0.8
202.76871	0.8
205.12286	24.1
206.12645	2.4
223.13344	100.0
224.13686	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	225.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51885	0.5
59.01254	3.5
66.21607	0.6
66.43563	0.5
69.03323	0.5
71.04881	0.9
75.15511	0.5
80.02528	0.6
81.03331	1.5
81.61054	0.6
82.01218	0.5
83.04875	1.5
84.02032	0.7
93.03326	1.4
97.02827	12.2
98.03173	0.6
99.00735	3.5
106.04034	0.8
107.04884	0.8
109.06480	11.9
110.03613	5.0
111.04366	1.0
118.12082	0.5
121.06471	0.9
123.04393	1.1
125.06017	0.6
125.09613	1.1
135.08005	2.8
136.05232	2.6
142.02611	6.0
145.10075	0.5
151.07455	0.6
153.12598	0.7
161.09633	1.1
163.11200	15.6
164.11542	1.3
173.29660	0.5
179.10693	1.5
181.12268	31.2
182.12611	2.4
182.23149	0.5
189.09106	0.8
195.02922	0.9
195.06500	0.5
197.11823	1.1
198.07800	0.8
207.10207	84.4
208.10545	6.5
225.11282	100.0
226.11617	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	225.1128
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
52.27606	0.7
55.20418	0.7
59.01252	9.7
66.02361	0.9
69.03326	0.8
69.84845	3.9
80.02544	1.6
81.03327	5.4
82.58874	0.7
83.04900	3.6
84.02032	2.8
93.03339	1.4
97.02824	11.4
99.00764	1.8
99.04388	1.2
107.04913	1.2
109.06480	45.3
110.03614	7.2
110.06799	2.1
111.04446	0.9
121.06464	3.6
123.04404	1.2
125.09558	1.2
135.08047	5.1
136.05199	2.6
142.02629	8.5
145.10040	1.1
161.09625	2.7
163.11195	26.5
164.11530	2.8
174.02988	0.7
179.10638	1.6
181.12259	18.2
182.12566	1.1
183.26448	0.8
189.09055	1.0
197.11674	1.0
207.10201	100.0
208.10529	9.5
224.90717	0.8
225.11272	90.5
226.11613	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	225.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22219	0.7
57.25567	0.6
59.01252	3.7
61.98709	0.9
70.37302	2.2
71.01216	0.9
83.04877	1.6
91.10200	0.7
97.44509	0.7
106.47818	0.8
137.02313	0.8
163.14806	1.9
179.14264	1.0
181.12282	1.8
181.15889	1.0
189.12717	1.0
191.74048	0.9
195.13840	10.9
196.14169	1.4
197.15353	5.0
199.18837	0.8
203.12282	0.7
205.12529	0.8
207.13832	26.1
208.14172	2.3
225.14905	100.0
226.15219	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	227.1285
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
52.77134	0.3
59.01229	0.5
71.04893	0.8
80.02554	2.7
81.03323	1.7
83.04895	7.9
84.02033	4.5
84.05241	0.5
95.04909	1.0
109.06477	0.8
125.05972	1.1
125.09539	0.5
135.08038	1.2
163.11180	6.4
164.11581	0.6
165.12752	4.2
165.18138	0.4
169.55110	0.4
172.25195	0.4
181.12344	0.9
188.06958	0.4
191.10692	1.7
199.13287	0.5
209.11768	100.0
210.12106	8.9
227.12840	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	227.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69743	0.3
56.56634	0.3
57.03306	0.4
59.01259	0.5
70.65041	0.8
71.04874	0.8
73.30798	0.3
79.94538	0.3
80.02546	2.4
81.03318	1.9
83.01270	0.6
83.04900	8.8
84.02039	4.4
89.82570	0.3
92.21078	0.3
95.04886	1.2
97.02879	0.3
109.06454	0.5
118.70565	0.3
118.71475	0.3
125.05973	0.8
125.09611	0.7
127.11188	0.4
135.08034	1.0
140.07387	0.4
147.11752	0.4
153.12802	0.3
163.11197	7.6
164.11598	0.5
164.39270	0.3
165.12785	4.4
166.13124	0.5
178.62573	0.3
181.12332	1.4
191.10675	1.7
199.13382	0.5
209.11771	100.0
210.12097	10.0
227.06996	0.8
227.12840	3.1
228.13187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
51.15259	0.2
55.01204	0.2
55.32740	0.2
57.03332	0.2
64.54200	0.2
65.87993	0.2
69.18855	0.2
69.25226	1.2
69.25631	0.4
87.35589	0.2
97.06448	0.2
97.71840	0.2
98.20554	0.5
111.08041	1.3
156.13841	0.4
163.11284	0.3
165.12767	18.6
166.13148	1.6
183.13834	100.0
184.14278	8.0
185.83961	0.3
191.10707	0.3
198.98576	0.2
209.11768	2.0
225.90346	0.2
227.12843	15.7
227.20058	0.4
228.13203	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1648
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
57.03308	0.4
57.79230	0.4
59.96956	0.4
60.08422	0.4
62.11997	0.3
65.01269	0.3
67.01742	0.6
70.47846	0.3
71.04903	0.4
78.95826	0.3
79.46301	0.3
81.06976	0.6
81.60336	0.3
83.04884	0.9
84.02045	0.6
90.93133	0.3
91.37276	0.4
98.19834	0.9
103.90093	0.4
116.64223	0.4
128.24329	0.4
151.11206	2.1
153.05450	0.4
163.11209	0.5
165.12762	1.4
171.04268	0.4
171.06581	0.4
183.13858	4.3
185.11697	0.7
195.10181	2.2
197.15422	1.8
199.13254	0.5
201.07674	0.5
209.11784	9.1
209.15366	2.4
210.12018	0.5
225.14903	0.7
227.03665	0.7
227.07040	1.1
227.12827	4.6
227.16475	100.0
227.20152	3.7
228.06683	0.5
228.08789	0.7
228.13223	0.6
228.16814	9.8
229.26453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.9
61.98689	1.5
69.43199	5.4
71.01241	1.4
83.04860	1.4
88.13042	0.7
91.86295	0.9
98.01778	0.8
99.04431	1.1
111.08037	3.2
113.09538	1.1
133.02884	1.4
142.01549	1.8
157.08618	38.8
158.08929	2.4
163.11198	2.9
167.14305	1.9
181.12270	38.8
182.12631	3.3
187.33308	0.8
193.12254	3.8
199.13344	30.5
200.13644	1.7
203.86575	0.8
211.13335	49.8
212.13667	4.1
229.14420	100.0
230.14740	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	229.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.2
57.03315	0.8
60.35864	0.2
64.49384	0.2
67.01738	0.3
71.51975	0.3
72.60360	0.2
77.69176	0.2
78.21632	0.2
83.04900	0.8
84.02036	0.4
85.02834	0.6
104.97868	0.2
113.09608	0.2
125.09615	1.8
127.11165	3.4
155.14311	1.1
163.11121	0.3
165.12756	0.6
167.14334	2.6
171.10184	3.3
183.13817	1.7
191.41788	0.2
193.12242	0.7
209.11794	3.0
210.12085	0.4
211.13336	10.3
212.13690	0.8
229.14407	100.0
230.14763	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	229.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.3
56.67709	0.3
57.03316	1.2
59.01251	3.3
64.23691	0.3
65.99705	0.5
69.21688	0.3
70.35026	0.3
71.04892	0.7
71.12753	0.3
74.88548	0.3
75.15520	0.3
82.78897	0.3
84.02039	0.8
85.02818	1.2
89.11833	0.3
93.03284	0.3
98.19794	1.0
101.05957	0.3
102.08436	0.3
125.09620	5.1
126.09944	0.4
127.11178	4.6
142.01535	0.5
155.14349	2.4
160.05157	0.4
165.12750	0.8
167.14308	2.2
171.10185	0.6
183.13788	0.8
209.11781	1.5
211.13321	3.8
212.13754	0.5
224.43065	0.3
229.14407	100.0
230.14748	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	229.1441
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
55.65083	0.4
57.03323	1.0
59.01225	0.7
61.98679	0.5
71.04882	0.7
71.52372	0.7
83.04900	0.5
85.02821	0.7
121.63183	0.4
125.09623	1.6
127.11162	3.9
133.03922	0.4
139.11241	0.4
152.29071	0.4
153.12770	0.5
155.10667	5.0
155.14307	1.2
163.11208	0.6
165.12732	0.6
167.14314	2.0
171.10181	2.9
172.05257	0.6
181.12195	2.8
183.10201	0.9
183.13872	1.5
193.12273	1.8
199.13315	7.2
200.04716	0.7
201.05492	1.5
201.09427	0.5
201.11276	1.3
204.57397	0.4
209.11813	2.6
211.13336	11.5
212.13739	0.7
229.08977	2.4
229.14412	100.0
230.14757	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	231.16
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
52.46711	0.4
57.03316	2.0
59.01244	0.5
59.48776	0.3
69.39964	2.3
127.11201	3.4
155.14275	1.1
171.10175	5.3
183.13872	0.9
185.15370	0.5
195.13919	0.7
205.06845	0.4
213.14911	5.5
214.15198	0.4
229.14391	3.9
231.15991	100.0
232.16324	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	233.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	2.6
59.01252	54.5
59.70774	1.3
60.99177	1.7
67.01743	2.8
69.03321	1.3
71.01245	10.1
71.05498	2.0
73.02811	2.1
74.02376	1.3
74.98981	1.2
78.25200	1.3
83.01244	2.3
83.04947	1.4
83.25188	1.3
85.02826	3.6
87.00774	1.9
93.03326	10.4
99.00770	2.7
99.04379	1.2
104.03419	4.4
111.00772	3.7
111.04394	2.5
129.01804	6.0
173.04478	11.0
188.09325	1.9
233.04555	3.2
233.08299	2.9
233.15428	100.0
234.09760	3.8
234.15782	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	233.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06716	0.2
59.01253	7.3
59.96600	0.5
60.97387	0.5
67.01746	0.3
70.84727	0.5
74.98943	7.7
75.96100	0.3
75.98920	0.3
89.04392	0.2
91.02079	1.5
93.00017	4.2
93.03323	1.4
118.96215	0.8
123.04386	0.2
126.28959	0.2
131.54344	0.2
133.98473	0.3
134.99300	8.1
135.99319	0.6
136.97223	3.2
141.07318	0.4
143.05229	0.4
149.00874	71.9
150.00835	5.2
150.98807	0.9
152.96748	0.3
153.93858	0.2
159.08397	2.4
161.06316	4.2
162.06564	0.5
167.01904	0.4
173.04480	1.1
188.98563	0.3
201.04028	0.4
215.05594	1.5
217.07167	100.0
218.07301	10.7
233.10310	92.7
233.15312	11.5
234.10460	12.1
234.15605	1.1
235.08286	0.4
235.10541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	20.8
70.83376	8.8
71.01263	9.3
72.99182	58.6
73.02782	6.0
74.30983	6.4
75.00759	6.7
77.66441	5.7
78.95772	17.2
83.04894	67.5
87.00748	40.2
88.86566	6.5
89.02322	10.7
97.02847	7.1
101.02332	8.3
111.04394	30.6
115.03907	34.4
127.03905	76.4
127.19492	6.8
129.05434	11.1
155.03421	87.2
199.02431	100.0
200.02901	9.6
200.31116	7.3
211.02650	6.7
217.03516	84.4
235.04567	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.105
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	0.8
66.57141	0.2
69.21936	1.1
69.22365	1.0
71.01259	1.3
72.92375	0.2
73.02810	0.5
78.08853	0.2
83.01283	0.3
85.02846	0.9
93.82230	0.2
101.02337	1.6
106.03963	0.3
111.04440	0.3
112.91331	0.2
113.02358	0.5
123.08089	0.3
134.03627	1.0
135.04420	0.6
136.05174	0.9
142.78432	0.3
148.05206	11.1
149.05890	0.8
149.09595	1.5
151.07445	0.3
161.04517	0.4
162.06737	0.6
165.09023	0.3
175.07547	0.5
176.08328	1.0
176.13000	0.2
177.09135	47.2
178.09476	3.4
190.09944	2.0
191.06969	0.3
191.10632	0.9
192.06628	0.7
192.11499	34.3
193.11862	2.9
201.09166	0.8
203.07120	0.6
217.08665	3.6
218.09441	9.6
219.09850	0.9
236.10512	100.0
237.10883	10.4
237.14688	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	8.3
57.03321	6.7
58.00457	2.8
59.01254	58.2
69.46987	8.2
69.47403	2.6
71.01255	96.1
71.32712	1.5
72.01576	1.7
72.99187	6.7
73.02821	39.1
75.00760	7.9
81.03318	1.8
83.01271	17.3
85.02827	52.0
86.90058	1.6
87.00750	7.0
89.02316	14.9
95.01261	6.1
97.02830	2.9
98.19872	3.4
99.00761	14.4
99.46353	1.7
100.01151	1.5
101.02328	100.0
102.02645	2.8
111.51936	1.5
113.02328	40.7
119.03384	2.1
125.02387	3.4
125.37742	1.8
125.38675	1.7
129.01845	3.1
141.92418	1.7
143.03461	2.7
147.04144	1.7
159.02927	11.1
161.04463	38.1
161.05832	2.0
162.04832	2.2
165.72540	1.6
205.03343	1.7
223.17870	1.9
237.06003	3.9
237.09618	18.3
253.46739	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.108
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
51.02930	0.4
55.01765	0.9
56.27601	0.4
57.03321	1.3
59.01252	1.5
61.98692	0.5
65.01342	0.5
69.03334	3.6
71.01270	0.8
71.04893	5.2
72.99197	0.4
73.02805	0.4
81.03326	0.7
82.49184	0.4
83.04905	1.0
89.25674	0.4
95.04921	0.6
97.06527	0.5
98.20591	0.9
108.02055	1.0
109.02872	0.4
123.08069	1.3
125.09612	2.7
132.99072	0.4
151.11218	1.5
152.36755	0.4
153.12784	3.8
161.09634	1.6
179.10699	7.7
197.11768	100.0
198.12091	8.2
214.07411	0.6
223.09772	3.9
224.10014	0.6
241.10785	65.6
241.14677	1.6
241.21645	0.9
242.08377	1.0
242.11099	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	241.1807
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
50.45636	0.6
55.31046	0.5
57.03321	2.9
58.56908	0.5
58.70372	0.4
59.01245	0.4
71.04871	0.7
72.21800	0.5
81.03328	6.7
83.04900	32.0
84.05213	0.9
84.82506	0.5
85.81242	0.5
98.19749	1.2
99.08036	13.8
111.08058	0.9
123.77180	0.6
139.11230	1.2
155.14299	1.4
157.12247	4.8
167.14449	0.6
195.17465	1.9
197.19043	16.3
198.19373	1.7
222.98711	0.6
223.16994	19.2
224.17422	2.3
229.40857	0.6
241.18060	100.0
242.18407	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	242.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	6.7
55.36544	2.7
71.08695	5.7
71.09057	4.9
71.34824	2.6
73.73727	2.7
78.95783	3.6
82.02863	17.9
83.01255	6.7
84.29372	2.6
85.06458	5.4
87.00732	4.6
97.02832	8.0
98.02341	7.2
100.03908	8.1
107.04901	24.0
110.02361	12.5
110.05909	3.9
112.03938	19.8
112.07568	74.9
113.07903	3.0
121.86449	2.5
124.03896	5.5
124.07566	7.1
125.05957	9.1
126.09151	6.5
134.05952	5.8
136.07555	23.4
137.05960	5.2
140.07054	34.1
150.05476	3.2
152.07091	5.7
153.05479	4.0
154.08629	7.0
155.07118	3.7
168.06602	2.8
168.34554	3.0
170.08073	15.4
180.06602	6.2
183.42448	3.3
196.06082	29.9
198.07628	50.9
200.05679	3.3
214.07196	19.2
242.06651	100.0
243.06963	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	242.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43218	0.5
59.01239	0.6
59.91037	0.5
60.62764	0.5
61.98703	0.9
66.03341	1.5
67.01748	0.9
78.95766	0.9
82.02842	0.9
82.06499	2.3
85.06467	1.0
100.07561	1.1
101.05961	0.8
103.91888	1.0
110.02370	3.9
111.00770	0.9
124.28323	0.5
128.10680	0.7
151.93561	0.6
152.03391	0.8
154.12233	0.7
170.15431	14.1
171.15788	1.0
198.14931	100.0
199.15273	8.2
200.05614	0.9
225.11328	1.1
225.14920	1.0
226.02588	5.7
227.02243	1.3
229.17224	0.7
242.13850	2.8
242.17728	1.9
243.03783	0.5
243.06416	1.6
243.12415	1.7
243.15955	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0621
Annotation	Uridine
Peak:m/z	Relative Intensity
50.14401	0.9
59.01238	3.1
66.03358	13.5
66.99699	1.0
67.30832	0.9
68.01292	2.3
71.01258	3.4
71.07708	0.9
71.14124	2.0
82.02853	27.1
83.01266	1.9
84.04394	1.0
84.44300	1.0
94.02860	2.1
96.00799	1.4
96.04451	1.9
101.22505	1.0
108.04420	2.2
110.02364	100.0
111.01900	5.1
111.02634	2.1
122.02365	8.2
124.03912	2.4
132.02908	1.6
140.03436	13.0
152.03448	17.5
153.02908	8.4
182.04510	1.1
183.01279	1.3
183.59096	1.2
200.05569	32.6
201.05814	2.3
243.06232	22.5
243.16048	1.8
244.06700	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	243.1235
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03329	1.1
59.01245	2.8
71.04890	3.7
71.52116	0.9
80.13898	0.9
82.02835	1.3
83.04905	1.4
96.79361	0.7
97.02831	6.2
97.06488	1.8
99.00753	22.6
106.04066	1.1
109.06475	2.1
110.02370	2.5
110.03616	1.4
123.08089	1.1
125.09603	8.8
127.11160	1.7
135.08058	1.0
142.02600	2.2
153.12781	0.9
155.14317	1.3
161.09586	1.0
163.11198	11.2
181.12267	29.7
182.12555	1.8
197.11790	0.9
199.13345	22.2
200.05582	1.3
200.13742	2.1
202.35831	0.8
207.10197	53.0
208.10561	3.7
212.51733	0.8
225.11273	100.0
226.11603	7.7
243.06674	2.9
243.12352	95.1
244.12675	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	243.1235
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
59.01240	1.4
61.26807	0.6
70.53800	0.6
71.01279	0.7
71.04888	2.2
83.04906	1.0
97.02832	3.3
97.06493	1.2
98.20683	1.0
99.00761	14.9
109.06473	1.2
110.02367	2.6
110.03615	1.2
125.09619	4.1
142.02597	0.9
155.14314	1.8
163.11145	5.8
179.77933	0.6
181.10637	0.9
181.12242	16.1
182.12642	1.2
197.11743	1.0
199.13345	13.5
200.13600	0.7
207.10205	32.1
208.10567	2.0
225.11278	65.4
226.11594	4.2
243.06723	1.9
243.12349	100.0
244.12689	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	245.0431
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
57.82088	3.5
59.01257	10.9
71.01235	6.5
72.99162	4.9
73.88250	3.4
78.95780	68.9
82.26431	2.7
83.01258	3.6
87.00761	8.7
89.02337	4.2
98.62344	2.8
101.02293	16.4
109.00279	3.2
113.02351	5.1
119.03384	15.3
138.10515	3.3
143.62032	3.0
152.99501	54.1
171.00555	22.8
208.80841	3.2
209.06552	4.1
245.04318	100.0
245.08241	13.1
246.08415	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	247.1702
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
59.13297	0.2
70.84768	0.4
71.01262	0.6
85.62591	0.2
93.09078	0.2
147.07961	0.2
184.00107	1.0
205.15913	0.2
207.32826	0.2
231.13857	0.5
247.17014	100.0
248.07962	1.2
248.17351	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	249.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
67.17978	3.0
69.03348	3.7
70.34913	8.0
71.01263	5.5
72.99180	60.8
73.02821	5.6
81.03311	18.2
83.01253	10.2
83.04909	37.6
85.02830	5.4
93.03327	8.4
94.57119	2.9
97.02829	49.4
99.04372	3.3
108.02049	9.8
109.02833	63.9
111.04403	53.5
115.03893	20.3
127.02985	3.8
127.03909	72.3
129.05457	6.2
137.02354	4.8
141.05511	17.1
155.03410	62.7
159.02869	5.8
171.02928	6.1
174.76250	4.0
185.04494	81.7
186.04857	6.1
187.00485	3.8
199.02425	52.9
203.05533	17.2
217.03461	40.4
231.05057	100.0
232.05283	10.1
249.06122	17.5
250.06621	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	249.1857
Annotation	roughanic acid
Peak:m/z	Relative Intensity
59.01249	5.5
64.84166	0.8
70.69006	2.8
71.01252	1.8
76.96031	0.8
117.03304	1.1
130.69926	0.8
173.27928	1.0
205.08656	1.0
205.15921	2.1
205.19633	1.5
220.60066	1.0
231.17604	1.0
247.58377	1.0
249.07764	1.8
249.14726	3.6
249.18581	100.0
250.14478	24.1
250.18748	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	253.0927
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
54.69347	1.0
55.01751	1.6
58.00468	1.8
59.01250	100.0
60.01584	1.5
60.61114	1.1
70.37717	1.4
70.38052	2.1
71.01254	24.4
72.99166	2.2
73.02824	4.1
75.00739	1.0
83.01268	2.6
85.02805	6.2
87.00763	2.5
89.02316	18.6
91.03880	1.6
95.01295	2.0
97.02847	1.8
98.19833	0.9
99.00726	1.5
101.02324	23.7
113.02332	13.0
119.03403	6.1
121.02843	1.3
125.02372	1.3
134.63777	1.1
137.00534	1.2
143.03439	1.4
161.04442	9.3
165.00060	1.6
179.05544	2.3
193.07156	3.8
253.06813	1.3
253.09230	25.0
253.21667	3.4
254.09612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2171
Annotation	Sapienic acid
Peak:m/z	Relative Intensity
52.05386	15.2
59.01250	34.3
70.89085	47.7
89.02337	33.8
95.83907	16.3
101.02306	33.5
146.53207	16.4
253.21753	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1138
Annotation	3-Isopropyl-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H)-dione
Peak:m/z	Relative Intensity
57.50090	0.4
57.62066	0.4
61.98677	0.5
65.03826	0.4
69.16937	4.0
73.54796	0.4
92.04961	0.5
92.26817	0.4
95.04905	1.3
101.02349	0.5
108.04404	0.9
120.04442	1.7
122.05977	1.2
132.04428	1.0
133.05219	0.5
134.06020	5.8
143.12263	0.4
145.05228	1.5
145.24922	0.4
146.05975	0.5
159.05534	3.3
160.06259	0.6
163.08676	0.5
182.06068	2.7
196.07635	1.8
197.08354	1.4
210.09256	0.8
211.13156	0.4
212.10764	9.9
213.11044	0.6
219.63046	0.4
225.06673	2.3
226.07388	6.0
228.10426	0.6
239.08237	6.3
240.08984	14.8
241.09288	1.0
255.11362	100.0
255.23260	28.5
256.11688	8.2
256.23541	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	259.0224
Annotation	D-Galactose 6-phosphate
Peak:m/z	Relative Intensity
74.02339	2.6
74.37595	1.7
74.43644	1.6
78.95777	93.6
87.05499	2.4
96.96842	100.0
130.08591	2.9
138.97920	6.1
168.99023	2.6
199.00252	2.2
213.05133	3.1
243.09703	1.6
259.02246	21.5
259.13147	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0223
Annotation	D-Galactose 6-phosphate
Peak:m/z	Relative Intensity
59.53390	0.3
60.87070	0.2
70.52316	0.7
74.02347	1.3
78.95776	85.3
79.06341	0.2
79.43017	0.2
85.92952	0.3
87.05530	1.5
90.64100	0.3
96.04416	0.3
96.96842	100.0
101.02324	0.8
112.03889	0.5
118.19756	0.2
118.89378	0.3
131.04553	0.3
138.97073	0.3
138.97928	7.5
141.10287	0.3
150.97913	0.3
153.06630	0.7
168.98976	3.5
169.06076	0.3
171.00575	0.3
173.33267	0.3
197.05650	1.1
199.00089	3.0
213.05109	3.8
216.90662	0.8
223.00075	0.7
241.01129	2.1
241.04655	1.3
254.09930	0.3
259.02240	31.6
259.05280	1.0
260.02521	0.9
270.69305	0.3
277.41153	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60473	1.9
55.41129	1.9
56.61529	2.0
58.00468	5.2
59.01249	100.0
61.86739	2.1
69.52070	14.0
71.01250	78.5
72.99172	8.2
75.00770	2.1
82.41151	2.3
85.02811	15.5
89.02319	69.2
95.01252	7.6
98.20625	4.0
101.02322	32.7
109.01597	3.2
112.92178	2.3
113.02335	18.6
119.03390	20.8
124.45943	1.9
125.09584	3.2
133.06812	7.1
187.09755	3.9
190.60675	2.0
201.11253	2.7
232.18306	2.2
243.07018	2.4
243.19794	2.2
261.03839	5.2
261.07730	5.3
261.13467	4.3
261.22168	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	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19806	2.0
59.01249	100.0
61.35222	1.8
70.80941	4.1
70.81281	2.6
71.01244	6.8
73.02828	4.0
85.02799	2.9
87.00782	3.6
92.52252	2.1
96.32820	1.8
101.02327	4.3
103.85265	2.0
113.02337	2.7
122.49834	2.0
125.02258	2.3
131.03680	2.0
135.13794	2.0
146.43446	2.2
168.82001	2.0
173.10898	2.1
183.04509	5.8
219.22989	1.8
263.09341	3.4
263.12927	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1287
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
52.92702	1.9
57.03314	5.0
59.01256	16.6
64.31164	2.1
69.21754	17.1
71.01257	11.7
73.02809	4.0
73.29693	2.9
78.40361	1.8
78.40845	2.0
83.01254	2.0
83.04906	5.0
85.02824	8.1
87.00746	4.2
89.02313	2.9
93.03324	2.1
95.04868	3.1
96.95872	2.2
97.02831	10.0
97.06485	2.1
101.02307	5.7
107.04893	4.1
108.05677	5.0
109.02824	5.9
109.06506	3.9
111.04402	12.8
113.02306	2.0
113.05974	11.7
119.08537	5.4
121.06470	4.5
122.03602	13.9
123.04381	2.5
123.08054	9.6
125.05970	16.9
129.67078	1.9
130.47766	2.1
135.08075	2.8
136.05191	19.3
137.05949	8.8
138.06770	19.8
139.07549	33.5
148.05212	13.3
149.05957	6.5
151.07549	74.1
152.04686	4.7
152.08333	40.6
153.09167	12.2
159.11644	4.0
161.04446	2.5
161.09625	7.2
163.07567	16.2
167.06961	4.4
170.05833	2.1
175.07593	2.5
188.08276	4.0
189.09100	8.6
201.12791	31.6
201.95689	2.2
202.13098	2.9
203.10698	26.9
204.11490	61.4
205.11818	4.0
219.13844	100.0
220.14162	8.1
245.00871	4.7
245.11787	2.9
263.01990	3.1
263.09589	2.1
263.12842	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	263.2015
Annotation	KDC 165
Peak:m/z	Relative Intensity
56.12645	0.4
56.41105	0.4
59.01255	4.0
63.04666	0.6
71.01237	1.7
71.51650	0.8
74.48978	0.5
87.00745	0.9
101.02335	0.8
113.02276	0.8
144.45021	0.5
219.21225	0.7
259.92892	0.5
263.20151	100.0
264.20499	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	265.148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81035	0.2
59.01248	0.5
70.53266	0.4
72.59010	0.2
75.75063	0.2
79.95599	2.1
95.95147	0.6
96.95892	100.0
97.95818	0.3
101.02324	0.3
241.06516	0.2
265.14783	72.2
266.15134	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
64.52266	0.3
70.99297	0.5
70.99632	0.4
76.29125	0.3
79.95583	1.8
91.28336	0.3
95.95126	0.7
96.95887	100.0
102.51552	0.3
105.61423	0.3
152.85034	0.3
172.04852	0.3
189.78328	0.3
246.97871	0.2
265.14774	76.0
266.15073	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	265.1808
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
59.01251	14.7
69.03335	3.7
69.28688	3.6
69.29091	10.9
71.01258	7.8
73.02831	1.6
78.95757	2.8
85.02818	3.5
89.02297	2.2
89.90863	1.6
93.03358	1.7
96.95880	3.5
98.20533	2.1
99.00820	1.7
101.02304	5.8
103.03888	2.0
111.08073	1.4
113.02302	2.1
121.10120	4.4
134.04605	3.7
135.04408	3.5
143.07063	8.0
149.09605	3.2
151.11224	2.8
167.10706	41.5
177.01752	1.8
177.09094	3.2
178.99817	2.7
195.10217	12.3
203.18025	4.6
221.00887	4.7
221.11658	1.8
228.09926	2.2
247.09753	1.6
247.17014	18.5
248.17336	1.9
264.99902	3.9
265.15042	4.0
265.18066	100.0
266.18427	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	265.2173
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
59.01241	1.5
59.91660	0.5
64.86493	0.4
70.88798	0.8
71.01250	0.9
89.02306	0.4
96.81258	0.4
96.95887	5.9
97.10501	0.4
101.02355	0.5
134.04616	0.9
135.04469	0.5
144.52727	0.4
241.61868	0.4
265.15231	3.4
265.21713	100.0
266.15051	0.5
266.22052	9.3
274.63672	0.4
283.45221	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66978	5.4
59.00964	6.1
59.01251	80.7
70.75182	8.7
70.75500	6.7
71.01256	80.1
72.99196	7.0
73.02815	13.1
75.00743	7.9
83.01255	10.0
85.02808	30.6
87.00758	36.1
89.02306	30.2
97.02880	6.3
98.45659	4.9
99.00768	13.4
101.02322	52.8
101.03826	9.3
105.01797	8.9
105.05399	8.2
113.02341	39.3
119.03377	18.4
129.03351	8.0
134.10420	5.1
145.02821	37.1
147.04439	50.8
161.04459	30.6
163.03815	5.7
173.02399	36.5
178.83905	4.7
182.59755	5.1
186.45380	4.8
191.03416	9.3
267.07184	100.0
267.10764	24.7
268.07697	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	269.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.1
63.02271	5.2
64.46152	0.3
65.00195	2.9
71.01247	0.3
71.51833	0.4
83.01273	0.9
93.03323	0.6
99.04369	0.7
105.03334	0.5
105.98164	0.3
107.01270	5.3
109.69765	0.3
117.03347	14.9
118.03698	0.4
121.02837	1.0
123.04439	0.3
135.04427	0.7
137.02380	0.4
149.02357	3.4
151.00266	4.5
157.06479	0.6
159.04456	3.2
161.02327	1.6
169.06448	0.6
180.05719	0.9
181.06511	1.2
183.04391	1.7
196.05229	0.4
197.06050	1.4
199.03885	0.6
201.05521	1.2
207.13837	0.6
209.11795	1.2
224.04689	0.6
225.05557	2.5
225.15039	0.3
227.03409	1.3
251.12813	0.4
269.04541	100.0
269.13919	2.1
269.21121	3.1
269.23926	0.4
269.24872	0.4
270.04883	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0449
Annotation	Apigenin
Peak:m/z	Relative Intensity
59.06655	0.2
61.98674	0.2
62.57325	0.2
63.02268	6.2
65.00195	3.3
83.01250	0.6
86.47455	0.2
89.00179	0.2
93.03313	1.0
98.19817	0.7
105.03329	0.6
107.01268	4.6
117.03351	14.0
118.03666	0.7
121.02834	0.9
135.04388	0.7
141.03340	0.2
145.02815	0.2
149.02336	3.5
150.02655	0.2
151.00281	4.0
155.04951	0.5
157.06441	0.2
158.03589	0.3
159.04427	3.1
159.05719	0.2
161.02362	1.6
168.05687	0.2
169.06458	1.2
171.04430	0.4
180.05728	0.5
181.06563	1.1
182.03659	0.4
183.04454	1.5
185.02332	0.2
195.04460	0.3
196.05244	0.6
197.05949	1.1
199.04019	0.3
201.05591	1.4
213.05634	0.2
224.04745	0.8
225.05518	2.7
227.03447	1.3
248.68825	0.2
268.03802	0.2
269.04547	100.0
269.21155	0.7
270.04889	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	269.0456
Annotation	Apigenin
Peak:m/z	Relative Intensity
52.93997	0.3
55.50043	0.3
62.41964	0.3
63.02267	2.4
65.00195	6.1
70.85368	0.6
71.01240	0.9
73.02813	0.5
77.03829	0.3
81.03315	0.6
83.01260	2.6
85.02807	0.4
93.03337	0.8
94.96819	0.3
95.04899	0.3
105.03352	1.4
106.34158	0.3
107.01273	9.8
115.08719	0.3
117.03351	33.8
118.03695	1.8
120.56329	0.3
121.02865	2.1
125.04749	0.3
130.08676	0.4
149.02348	12.1
150.02666	0.6
151.00273	14.3
152.00600	0.5
157.06563	0.4
159.04424	3.0
161.02307	0.4
169.01323	0.5
169.06487	0.6
180.05692	0.8
181.06548	2.1
183.04465	1.9
185.02429	0.5
196.05217	0.4
197.05943	0.9
198.06192	0.4
199.03853	0.6
201.05487	2.0
212.04300	0.3
224.04813	0.4
225.05534	5.3
226.06006	0.5
227.03439	2.1
241.04982	0.6
269.04550	100.0
269.21243	3.2
269.24356	0.7
270.04886	7.9
286.38382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0456
Annotation	Apigenin
Peak:m/z	Relative Intensity
50.92728	0.2
60.04052	0.2
63.02277	1.6
65.00197	3.8
69.16228	1.4
78.63673	0.2
81.03328	0.3
83.01252	1.8
93.03325	0.4
105.03352	1.4
107.00539	0.3
107.01276	6.6
117.03347	24.6
118.03693	1.1
121.02853	2.0
141.03276	0.2
149.02351	9.3
150.02724	0.5
151.00278	10.9
152.00583	0.4
155.04950	0.3
155.10698	0.5
157.06500	0.4
159.04440	1.9
161.02371	0.2
169.01320	0.3
169.06470	0.3
180.05704	0.7
181.06529	1.7
183.04414	1.7
185.02374	0.5
196.05247	0.2
197.05994	1.0
199.03954	0.2
201.05519	2.0
207.33818	0.2
213.05505	0.2
219.23994	0.2
224.04684	0.7
225.05492	3.9
225.14877	0.2
226.05803	0.2
227.03461	1.9
241.05132	0.3
269.04544	100.0
269.13882	1.5
270.04880	8.9
270.14319	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
56.52204	0.2
70.01365	0.2
71.51533	0.2
71.89193	0.1
108.02043	0.8
109.02834	0.6
125.02324	0.8
172.79556	0.2
197.18898	0.2
223.20572	0.2
225.22200	4.5
226.22551	0.3
253.21654	1.6
269.21201	1.1
271.22781	100.0
272.23129	8.7
291.87622	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43507	0.3
63.37507	0.4
71.23312	0.6
78.45559	0.4
97.21119	0.3
108.02041	1.5
109.02822	1.1
125.02335	1.6
186.01230	0.4
211.20583	1.5
225.22127	1.0
253.21680	1.6
269.21112	0.9
271.22772	100.0
272.23120	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	271.2279
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
52.61364	1.2
62.47016	1.3
71.52183	1.5
108.02053	4.1
109.02829	3.8
125.02319	3.8
223.20621	3.1
225.22182	63.0
226.22513	3.8
271.05942	1.7
271.22775	100.0
272.23157	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	273.0381
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
54.50566	0.2
59.01240	0.4
62.09855	0.2
63.03572	0.2
63.92165	0.2
64.22475	0.2
71.50732	0.3
73.46439	0.2
78.95776	43.9
85.02843	0.2
87.00748	0.3
96.96848	4.3
99.00776	0.2
103.88213	0.2
110.98415	42.1
111.98800	0.3
125.02300	0.3
128.03444	0.2
168.28090	0.2
168.99828	0.5
180.25204	0.3
188.21190	0.2
222.26540	0.2
222.99878	0.3
241.01143	15.1
242.01544	0.2
273.03802	100.0
274.04178	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	277.108
Annotation	Marasmone
Peak:m/z	Relative Intensity
59.01243	0.6
73.02812	0.3
79.05400	1.2
82.56363	0.3
95.04928	0.5
97.44691	0.3
101.03839	0.8
119.04860	0.5
121.02836	0.3
130.04242	0.5
131.04889	0.6
145.02850	8.2
145.03929	0.6
147.04436	0.7
153.38068	0.3
155.08562	0.9
156.05701	0.7
157.06509	2.5
158.03673	0.4
161.61140	0.4
164.04709	2.1
167.08630	1.4
169.10136	3.0
177.03043	0.4
179.08589	6.4
180.08940	0.7
181.06537	0.5
182.07268	1.3
195.08058	1.0
197.09651	100.0
198.09996	8.1
211.07698	0.4
213.09120	0.3
215.10716	11.8
216.11107	0.9
255.43895	0.3
277.10800	40.3
277.21643	3.0
278.11142	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	277.166
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
50.85992	0.6
51.39331	0.7
59.01339	7.2
60.97441	0.8
69.38595	0.9
69.38997	4.0
70.63192	0.6
71.01340	1.6
95.45818	0.6
103.02215	0.9
115.21574	0.6
121.03168	4.5
124.18367	0.6
129.11275	0.7
143.31888	0.7
146.99368	1.0
147.08359	3.8
165.00356	11.7
166.00386	0.7
174.49760	0.7
180.99835	1.5
183.01512	0.7
189.04074	1.9
191.05582	10.9
191.07156	1.0
205.07167	1.7
205.15857	0.9
207.05087	0.8
217.07169	2.3
231.08739	1.9
233.10310	100.0
234.10416	7.2
259.15344	1.0
277.16544	91.2
277.21494	41.1
278.16727	10.8
278.21863	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	277.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59445	0.2
59.01000	0.2
59.01249	2.4
59.36733	0.2
59.53070	0.2
64.09946	0.1
69.22265	0.7
69.22687	0.8
71.01242	0.4
83.04954	0.2
96.79648	0.2
98.92870	0.2
115.55795	0.2
127.07571	0.3
128.00935	0.2
143.65776	0.2
157.46939	0.2
205.15891	0.3
205.19594	0.2
220.89172	0.2
233.22736	0.8
259.20569	0.5
275.20187	0.3
277.21707	100.0
278.22046	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	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	4.1
60.54403	0.2
70.99691	0.5
71.01257	0.7
71.54142	0.2
79.95614	0.3
81.95178	0.3
103.33688	0.2
143.59114	0.2
163.82654	0.3
178.49863	0.2
205.15886	0.5
217.07109	0.4
233.22684	0.6
259.20682	0.5
275.20102	0.3
277.21710	100.0
278.22049	8.4
285.26953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
56.14156	0.7
59.01223	1.0
71.28307	1.0
71.28659	0.9
73.29430	0.6
74.30838	0.7
78.65025	0.7
80.45566	0.6
82.40675	0.6
113.43909	0.7
265.24005	0.6
277.21707	100.0
278.22034	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	279.1085
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
58.00449	2.2
59.00958	2.1
59.01250	42.6
71.01252	25.3
71.04897	6.3
71.50366	1.3
72.99170	3.0
73.02788	1.4
83.01265	1.3
85.02827	6.0
87.00749	1.7
88.93500	1.1
89.02319	29.5
95.01256	1.6
99.04391	14.9
101.02323	18.7
101.05952	1.4
105.01745	1.3
113.02331	10.5
117.05463	51.6
118.05795	1.3
119.03389	12.3
131.03342	1.0
143.03432	1.2
159.06522	1.8
160.02545	1.5
161.04422	1.1
176.04507	1.4
179.05528	1.2
243.06638	1.3
279.10846	100.0
279.23264	4.3
280.11200	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1239
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
54.47437	1.1
57.03320	15.8
58.37360	0.9
59.01231	2.7
61.22942	0.9
69.03323	2.6
70.37992	1.6
70.38300	1.2
71.01252	2.9
81.03345	1.7
83.01273	0.9
83.04880	4.7
85.02826	1.6
89.02378	0.8
90.98484	1.0
93.03348	1.0
93.06971	1.2
95.04890	3.3
97.02821	8.0
97.06492	2.2
97.32110	0.8
99.04417	1.2
99.94545	0.9
99.96312	0.8
101.02336	1.4
106.62724	0.8
109.02838	7.9
109.06495	8.0
111.04406	6.9
119.08571	4.1
121.06479	6.5
122.03622	18.8
123.04429	2.1
124.05195	24.3
125.02335	1.7
125.05998	7.4
135.04402	1.8
135.08054	1.4
137.05980	15.6
137.09613	1.0
139.07545	100.0
139.48827	1.0
139.82442	1.0
140.07878	3.1
145.10101	1.7
147.08081	6.9
148.05235	1.1
149.06006	1.6
153.05499	1.1
162.06708	1.0
163.03717	1.2
163.07558	2.8
163.11191	1.2
168.07852	26.5
169.08414	1.7
169.09926	0.8
171.08060	4.0
175.11139	2.4
176.00969	1.1
177.12791	1.7
185.09741	1.0
187.11226	21.5
188.11549	1.6
190.09891	4.8
205.12279	39.9
206.12585	2.6
217.08713	1.3
217.12282	1.9
235.13263	5.2
249.11310	2.4
249.96916	1.0
274.97025	1.0
276.33316	0.9
279.09290	1.6
279.12390	8.4
279.23190	4.1
281.40674	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1966
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
53.11256	0.9
59.01246	5.1
70.72675	2.1
71.01252	3.3
73.02833	1.0
79.77220	0.7
84.31105	0.9
85.02832	1.7
89.02322	1.3
101.02312	2.8
113.02328	1.2
113.66624	0.9
179.14340	1.1
188.24631	1.0
195.13843	14.7
196.14401	1.0
205.12358	1.2
211.13295	1.0
223.13356	11.7
228.13629	2.7
234.05324	0.9
235.17049	1.1
249.07738	1.3
251.20056	1.0
256.13046	3.3
261.18607	10.0
270.84872	0.9
275.77145	0.8
277.29352	0.9
279.19623	100.0
279.23181	21.6
280.19946	8.4
280.23566	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	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
70.53751	0.4
75.41190	0.4
98.19859	1.3
261.22348	0.6
266.43079	0.5
279.23279	100.0
280.23630	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	283.1703
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
59.01245	2.5
62.16189	0.4
62.91075	0.4
71.01244	1.0
71.08942	0.5
71.09288	0.8
89.02315	1.0
94.33450	0.4
101.02300	0.5
107.04906	100.0
108.05216	3.4
113.02337	0.7
122.08455	0.5
123.04414	0.5
129.61806	0.4
155.94518	0.5
163.11195	91.0
164.11543	4.4
201.51062	0.5
205.99350	0.5
239.70509	0.5
244.82082	0.4
283.17035	88.3
283.23129	2.2
283.26389	39.2
284.17349	8.6
284.26746	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	285.0399
Annotation	Luteolin
Peak:m/z	Relative Intensity
63.02272	2.5
65.00199	2.9
66.21178	0.2
70.80743	0.2
70.81077	0.5
77.12314	0.2
83.01264	2.0
105.03331	0.9
107.01270	4.5
109.02853	1.2
121.02859	1.4
126.40810	0.2
132.02072	0.4
133.02850	23.7
134.03186	0.9
143.04915	0.5
147.04504	0.4
149.02374	3.3
151.00279	8.1
152.00560	0.3
157.02895	0.4
169.01276	0.3
169.06561	0.4
171.04401	0.8
173.02473	0.2
175.03935	4.2
177.01860	0.4
185.05991	0.5
187.03915	0.5
197.05956	0.4
198.03178	0.9
199.03931	3.5
201.01912	1.3
211.03891	0.6
213.05495	1.0
215.03427	0.8
217.05009	2.5
223.04021	0.3
229.05063	0.4
239.03482	0.4
241.05022	1.3
242.02019	0.2
243.03001	0.9
257.04358	1.0
267.02951	0.6
285.04034	100.0
286.04358	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	285.04
Annotation	Luteolin
Peak:m/z	Relative Intensity
59.01238	0.9
60.30061	0.3
63.02263	1.2
65.00197	3.2
69.60197	1.5
78.05536	0.3
78.95755	0.4
79.49486	0.3
81.03296	0.3
83.01241	1.4
85.79301	0.3
96.16424	0.3
105.03382	0.5
107.01270	4.5
109.02860	0.4
120.60123	0.3
121.02840	1.2
132.02010	0.4
133.02853	26.1
134.03192	1.2
149.02361	3.4
150.10236	0.3
151.00275	8.8
153.93806	0.3
169.01370	0.4
169.06534	0.5
171.04475	0.8
174.03099	0.3
175.03903	3.9
176.04333	0.5
185.06038	0.5
189.05472	0.4
193.44315	0.3
196.75668	0.3
197.06012	0.4
198.03142	0.8
199.03940	4.0
200.04224	0.4
201.01860	1.6
213.05437	0.4
215.03499	0.6
217.05026	2.6
241.05008	1.6
243.02917	1.4
257.04239	1.1
284.26752	3.8
285.04037	100.0
285.26892	0.8
286.04373	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	285.0404
Annotation	Luteolin
Peak:m/z	Relative Intensity
59.05877	0.2
60.85988	0.2
61.05704	0.2
63.02266	0.6
65.00193	2.0
69.32603	1.7
83.01247	1.3
84.44860	0.2
94.51550	0.2
95.10831	0.2
105.03333	0.5
107.01279	3.4
121.02804	0.6
132.02107	0.4
133.02843	19.7
134.03181	0.5
149.02344	2.8
150.02675	0.2
151.00267	7.3
152.00641	0.3
169.06528	0.3
171.04416	0.6
173.06091	0.3
175.03908	4.6
177.01703	0.5
185.05984	0.5
197.05956	0.5
198.03088	0.5
199.03937	3.1
200.04265	0.2
201.01842	1.3
205.14978	0.3
212.04723	0.3
213.05518	0.9
215.03435	0.7
217.05029	2.0
219.25610	0.2
223.03952	0.5
226.02704	0.2
229.05020	0.5
239.03453	0.3
241.05005	1.6
242.02170	0.3
243.03023	0.8
257.04562	0.5
267.03036	0.6
279.91724	0.2
285.04028	100.0
286.04358	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	285.1821
Annotation	N-Acetyl-leucyl-leucine
Peak:m/z	Relative Intensity
56.99363	0.6
58.02846	6.6
59.01254	1.7
67.15420	0.6
71.52071	0.8
82.54619	0.7
85.02848	0.6
97.06478	1.3
99.08068	0.7
107.01292	0.9
107.64982	0.6
114.09132	1.3
123.04401	0.8
125.62139	0.7
126.09109	0.9
129.09145	1.1
129.10185	1.5
130.08636	100.0
131.08949	2.5
133.02815	4.2
141.10216	1.2
143.11807	0.8
154.08638	14.5
163.11174	0.6
182.15428	1.8
184.12057	1.3
199.03992	0.8
199.18097	90.5
200.18428	5.2
213.05359	0.6
223.13187	0.7
239.49316	0.6
241.19185	9.0
242.19565	0.8
243.17168	4.1
285.04056	18.1
285.13171	2.6
285.18185	98.0
286.04437	3.1
286.18491	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	285.2074
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
51.90273	0.3
52.92354	0.3
53.01645	0.3
57.03323	0.8
59.01255	0.3
71.22468	0.6
75.55730	0.3
77.14795	0.3
78.95750	0.4
108.34579	0.3
133.02873	0.9
144.74974	0.3
145.51413	0.3
146.29448	0.3
195.17587	0.4
221.19194	0.4
223.20642	66.2
224.20998	5.3
241.21712	1.3
266.01324	0.4
267.19672	36.2
268.20007	3.4
285.04099	3.8
285.20734	100.0
286.21072	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	286.2389
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01233	1.0
70.02859	1.3
71.31853	0.6
74.05974	1.5
82.04404	0.3
96.95965	0.4
114.16885	0.4
117.06987	1.3
118.04987	1.4
134.03142	0.6
240.23270	3.1
242.21242	1.1
268.22983	0.9
284.22287	0.7
286.04504	2.2
286.23880	100.0
287.16492	1.6
287.24460	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2232
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
59.01248	0.6
59.38144	0.2
71.08340	0.3
71.08684	0.3
92.42099	0.2
97.06532	0.3
99.08060	2.0
123.00780	0.2
125.02377	0.2
125.09641	0.4
129.09108	0.8
139.11176	0.3
141.12750	2.3
155.14322	0.6
157.12296	0.3
175.28671	0.2
223.20445	0.3
227.16455	0.6
239.20114	0.4
241.21773	1.1
243.17361	0.2
269.21219	3.1
270.21347	0.3
285.20712	1.9
287.22299	100.0
288.19400	0.4
288.22638	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	288.1607
Annotation	Mesembrine
Peak:m/z	Relative Intensity
57.59415	0.3
59.01249	0.8
60.93163	0.3
78.01800	0.3
81.03320	0.9
89.55346	0.3
90.03361	0.3
92.04934	0.7
93.03352	1.2
96.56449	0.4
98.81236	0.3
100.55943	0.3
108.02031	0.7
108.04420	3.2
109.02850	3.7
121.02821	0.7
134.02382	42.4
135.03206	7.0
136.03946	36.9
137.02403	2.0
137.04250	1.1
148.03961	1.4
149.04704	1.0
176.03432	5.5
177.04222	0.5
190.05038	0.9
204.06497	0.4
244.09792	0.4
262.89960	0.4
288.16064	100.0
289.16217	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	289.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95458	0.7
52.05402	0.8
57.03318	2.7
59.01254	5.1
65.03814	1.7
67.01712	0.7
67.05413	2.1
83.04881	1.6
93.03352	3.9
95.04894	1.0
97.06407	0.7
98.20602	2.9
109.06474	12.9
111.08051	7.2
121.10136	1.5
133.10178	1.0
137.02245	0.8
137.09595	2.8
149.09584	1.3
163.11122	0.9
167.10681	2.8
175.11174	1.5
177.09203	0.9
177.12811	1.9
179.10681	1.4
193.12218	1.3
195.13844	6.4
203.10718	1.2
221.11804	0.8
245.19043	8.5
246.19565	1.1
271.17044	6.8
289.18100	100.0
290.18365	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	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75145	0.6
57.03305	1.8
69.33257	4.6
71.35012	0.7
74.64208	0.5
93.06966	1.4
97.06471	1.7
98.19853	1.3
109.49557	0.6
116.02100	0.6
121.10123	13.1
123.08041	1.2
125.09619	6.6
141.12708	0.9
147.08070	1.0
181.77219	0.6
185.11758	16.2
186.12161	0.7
197.11755	3.6
209.11736	2.0
211.13318	1.3
223.13278	1.0
247.20706	0.7
273.18634	1.8
291.19662	100.0
292.20016	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
57.03314	0.3
59.01237	1.0
62.55162	0.2
69.24142	2.1
71.01243	0.4
73.02802	0.3
92.61037	0.2
93.86638	0.3
95.04902	0.5
97.06464	0.5
99.00736	0.3
106.04137	0.4
109.06471	0.3
111.07998	0.4
119.04905	0.5
121.02791	0.3
125.05962	0.5
127.07466	0.4
135.08080	0.3
147.08133	0.3
148.08817	1.5
149.09586	0.4
150.10416	0.9
151.11232	0.4
161.37544	0.3
163.11237	0.8
165.12766	20.9
166.13034	1.2
175.11185	0.6
176.12003	0.7
177.12802	0.5
179.14265	0.4
185.11743	0.4
191.14377	0.8
195.13786	0.5
196.80022	0.2
203.69131	0.2
217.15942	0.5
223.13374	0.7
245.19057	0.5
247.20671	10.3
248.20950	0.7
273.18597	6.9
274.18918	0.6
291.19672	100.0
292.20004	9.7
292.23312	0.5
303.08063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47261	2.4
59.01248	4.9
69.87505	7.9
69.87881	4.4
71.01257	4.8
73.02830	3.4
97.06465	100.0
98.06795	3.9
121.02840	2.7
130.30911	2.1
183.13914	5.0
191.10699	2.5
193.12296	29.6
194.13075	3.1
202.01178	2.3
211.13338	81.5
212.13734	2.8
263.20175	5.0
273.18628	4.4
291.19690	92.5
292.19986	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21941	0.6
53.26994	0.6
57.03323	1.6
59.01252	3.2
67.05412	0.6
69.95548	0.6
71.04890	10.5
71.09117	0.6
71.09459	1.5
76.78516	0.6
79.58670	0.6
83.04886	1.3
92.70877	0.7
95.04836	0.7
97.06464	2.5
111.08043	10.1
118.97563	0.7
137.09656	1.0
167.10719	1.4
177.12756	1.5
179.10751	1.4
191.14229	0.7
195.13867	7.6
207.13725	1.0
219.13823	1.4
235.17036	0.9
247.20613	3.2
251.18843	0.7
273.18588	2.1
291.19672	100.0
292.20004	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52873	0.3
59.01236	0.6
70.26479	0.9
73.02820	54.9
74.03151	0.6
108.62979	0.4
109.57597	0.3
109.85241	0.4
121.69868	0.4
130.55649	0.3
187.55754	0.4
291.19662	100.0
292.19998	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	293.088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.8
58.00462	4.3
59.01252	88.2
60.01605	1.2
65.47514	1.0
66.28561	1.3
69.03322	9.6
70.89989	1.9
71.01255	87.6
72.99169	6.5
73.02814	12.8
75.00743	3.7
81.03328	5.3
83.01250	6.2
85.02824	9.6
87.00758	3.6
89.02319	100.0
89.53638	1.0
93.24248	1.0
95.01281	3.9
97.02835	14.9
99.00761	14.1
99.04379	2.4
101.02324	13.0
111.00784	2.1
113.02336	7.7
115.03872	7.2
117.01846	1.1
119.03452	1.3
125.02344	36.6
127.03969	1.1
131.03423	6.3
133.97470	1.1
143.03374	2.7
149.04489	5.3
161.04497	1.7
179.00826	1.1
179.23376	0.9
183.59355	1.0
186.01981	1.1
191.05534	3.2
213.73694	1.1
233.06596	17.2
293.08969	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	293.0878
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
52.84159	1.2
54.19642	1.3
55.01740	1.2
57.03320	2.0
58.00464	3.2
59.01249	57.2
65.01707	1.2
71.01253	53.0
72.99171	3.7
73.02801	2.8
85.02824	16.1
89.02316	100.0
90.02644	1.8
95.01277	5.7
98.20552	4.5
101.02324	9.9
113.02332	28.5
119.03375	2.4
131.03409	10.0
149.04462	22.4
161.04446	2.6
213.09004	2.0
229.92950	1.9
286.92102	1.2
293.08856	1.9
293.21201	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	293.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83400	1.4
59.01250	10.4
61.98688	1.7
63.43855	2.0
68.99686	2.1
71.01252	10.4
71.32021	2.2
72.99181	4.2
77.53991	1.6
79.41486	2.0
83.01240	2.5
85.02814	4.4
87.00716	2.2
87.97938	1.8
89.02307	14.7
93.03358	2.1
95.01256	7.1
101.02334	3.0
107.04922	1.7
108.02044	5.9
113.02325	5.2
114.49313	1.6
114.75528	1.7
121.02837	2.8
123.00747	2.7
129.91226	1.6
133.10110	1.6
135.04361	2.3
145.02850	6.8
148.01569	6.4
149.04439	1.7
158.03673	9.7
160.01529	3.9
161.02353	86.9
161.04398	3.1
162.02963	3.3
176.01102	8.4
177.01842	2.2
183.04428	1.7
195.08035	3.2
198.06796	9.1
203.10835	2.0
209.05994	4.4
211.07489	2.5
213.09172	100.0
214.09515	6.6
229.08585	4.6
231.10249	50.7
232.10605	4.7
245.08186	5.0
263.09369	3.1
275.09131	2.5
293.10538	15.9
293.21158	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	293.1031
Annotation	Aduncin
Peak:m/z	Relative Intensity
57.03306	2.2
58.65727	1.1
59.01237	4.8
69.46562	2.3
69.46973	6.9
71.01249	4.8
73.44107	1.1
83.04928	2.0
85.02792	1.2
89.02312	3.8
101.02328	1.8
107.04892	5.5
108.74129	1.4
113.02344	1.9
119.04893	1.1
121.02853	1.7
129.06987	3.8
131.03384	1.8
135.04425	2.5
137.01216	1.2
143.04912	11.9
145.02859	9.2
145.06506	1.9
147.04462	1.3
151.03955	1.6
155.08565	6.5
158.03671	12.3
164.04655	1.5
165.06947	1.7
167.08548	3.1
173.06004	17.3
177.06981	4.5
180.05807	1.4
183.08070	100.0
184.08403	6.9
189.84172	1.3
193.06561	5.0
195.08078	39.2
196.08437	1.3
198.06743	3.1
209.06056	2.0
213.09135	23.5
231.10236	19.4
232.10408	1.7
249.11313	4.2
293.10321	84.4
293.21127	1.7
294.10672	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	293.1034
Annotation	3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide
Peak:m/z	Relative Intensity
59.01254	4.9
61.98707	1.4
69.03339	2.2
71.01267	4.0
72.31006	0.9
72.99178	0.9
83.01244	1.1
85.02828	1.1
89.02314	3.8
97.02830	5.3
99.00843	0.9
101.02333	1.2
103.46081	0.9
108.04575	0.9
123.04413	1.2
134.03671	1.3
151.03935	1.9
153.09067	1.7
161.04437	1.0
161.09610	4.0
163.11220	6.0
173.25607	0.9
175.07561	1.5
175.11179	1.9
177.12791	12.4
178.02592	1.1
178.13103	1.3
187.11182	5.1
189.09081	1.3
190.09932	5.0
205.12285	100.0
206.12689	5.5
207.10173	8.0
221.11832	3.6
249.11296	55.3
250.04370	1.0
250.11636	3.4
293.10510	12.5
293.21109	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	293.1033
Annotation	Aduncin
Peak:m/z	Relative Intensity
57.03318	15.8
59.01248	4.6
69.72668	4.9
71.01266	2.8
79.72369	1.0
82.64664	1.7
83.04895	7.7
85.02824	1.9
91.32728	1.1
101.03884	2.2
104.50224	1.1
107.04903	4.0
113.02344	1.8
130.04103	1.5
131.04886	4.0
135.04419	4.1
143.04922	90.3
144.05281	3.3
145.02840	5.8
155.08580	4.2
161.04445	2.4
163.03918	5.1
164.04706	3.7
165.07053	2.3
180.72275	1.4
183.08070	65.4
184.08408	3.9
185.09665	3.9
195.08055	6.9
198.06776	32.0
199.07167	1.9
213.09146	38.8
214.09474	2.1
224.96922	1.8
231.10271	1.7
249.11249	6.1
293.10321	100.0
294.10654	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.5
57.03318	1.3
58.00468	2.0
59.01251	55.8
71.01254	34.3
71.06422	1.9
71.06761	1.6
72.99190	3.1
73.02812	2.5
75.39988	1.0
76.89718	1.0
83.01260	2.0
85.02822	7.8
85.06461	19.6
87.00752	2.1
89.02322	32.1
95.01271	3.6
101.02319	20.7
104.47343	1.1
113.02327	10.9
113.05971	5.4
115.07550	3.2
119.03387	12.7
119.50501	1.0
127.07553	3.1
131.07036	89.0
132.07376	3.3
156.09305	0.9
161.04468	2.7
173.08113	2.8
206.34534	1.2
244.83347	1.3
274.18521	1.1
293.12433	100.0
294.12717	8.6
308.73840	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	5.3
65.79628	0.9
71.01242	9.9
71.08340	0.8
71.08665	1.1
72.24465	0.8
91.59275	0.7
111.11945	0.7
148.05225	1.0
164.08315	1.9
177.09108	5.6
192.11461	6.2
195.13853	1.8
196.14552	0.7
200.80110	0.7
205.12297	5.6
207.13855	1.5
218.09534	2.3
220.14630	48.3
221.15405	100.0
222.15726	6.9
223.13254	1.2
235.13351	1.1
236.10495	67.6
237.10855	4.4
237.25339	0.7
265.21890	0.8
275.20096	1.9
276.58154	0.9
293.17590	7.7
293.21225	11.4
296.43988	0.8
314.46664	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86296	0.3
58.83442	0.3
59.01243	0.6
64.72092	0.3
70.38617	0.4
70.38950	0.6
71.01260	0.5
79.95604	2.0
84.84969	0.3
89.02311	0.4
95.95088	0.4
96.95888	100.0
98.47964	0.4
143.69261	0.3
220.14612	0.4
221.15398	0.7
229.34639	0.3
236.10518	0.6
256.14102	0.3
293.17926	76.7
294.18201	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	293.2122
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
57.03293	1.5
59.01243	2.6
60.53877	1.3
64.60085	1.4
68.62460	1.4
69.22062	12.4
69.22411	2.2
74.42660	1.2
80.15556	1.2
95.56275	1.2
98.19773	2.8
106.06683	1.3
121.10125	51.4
122.10462	1.9
136.53305	1.3
171.10187	87.4
172.10497	4.6
177.16386	1.5
183.13733	2.5
184.44185	1.4
185.11787	3.1
231.21140	5.4
275.20169	100.0
276.20502	9.4
293.21237	69.2
294.21609	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	293.2124
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
54.21709	0.3
56.11205	0.3
56.17873	0.3
57.03309	0.8
58.53383	0.3
59.01248	2.3
69.03339	0.5
69.70837	1.7
71.01261	0.8
83.04924	0.5
86.46918	0.3
89.02320	0.7
95.04877	0.5
97.06503	0.3
109.06485	0.4
111.08031	1.0
113.09610	1.1
136.08833	0.8
161.04494	0.4
177.12946	0.4
179.10622	0.4
179.14343	1.2
181.12302	0.8
193.15903	1.1
195.13846	15.1
196.14401	1.6
205.12234	1.6
205.15939	0.6
205.76627	0.4
211.13374	1.2
220.14624	0.6
221.15419	1.3
223.13361	11.6
224.13884	1.0
228.13678	1.9
231.21223	0.6
236.10532	0.9
236.13301	0.3
239.13011	0.4
249.18703	0.4
249.22281	0.6
256.13126	4.1
265.21561	0.8
266.35687	0.3
275.20163	8.8
276.20584	0.4
293.08807	1.1
293.21225	100.0
294.21564	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
59.01251	1.0
60.64494	0.5
71.09596	0.9
73.98891	0.5
82.95443	0.5
87.39297	0.5
95.04904	0.6
96.23689	0.5
141.91220	0.6
167.10751	0.6
176.80373	0.5
177.12738	0.6
179.14293	1.0
180.58615	0.5
195.13841	12.6
196.14519	1.7
205.12250	1.1
205.15906	0.9
211.13399	1.0
223.13339	12.9
228.13628	1.5
231.21158	0.8
256.13129	5.9
257.13544	0.6
265.21445	0.6
275.20175	8.4
293.21228	100.0
294.21573	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	4.9
59.01250	2.9
59.21065	0.3
59.77412	0.3
61.86855	0.3
69.03328	0.3
70.85183	0.8
71.01243	0.5
89.02332	0.5
95.04914	0.4
97.06470	0.7
109.06487	0.6
113.09609	18.7
114.09952	0.6
121.10133	1.0
125.09618	0.4
135.11691	0.6
139.11201	1.9
141.12848	0.3
149.09605	0.9
163.11125	0.3
167.10652	3.0
171.10210	1.6
177.12761	0.8
179.10721	2.0
185.11755	0.6
195.13829	3.3
195.17506	0.4
221.15395	0.8
236.10443	0.4
249.22227	2.0
267.92719	0.3
275.20129	3.1
276.20456	0.5
293.21216	100.0
294.21539	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
57.03316	1.6
59.01237	0.9
60.87685	0.6
67.28207	0.5
69.22213	4.6
71.01248	0.7
74.77240	0.5
79.17567	0.5
123.08071	1.1
125.09640	3.3
141.12746	1.5
143.43338	0.7
149.09630	1.8
171.10220	1.0
185.11732	8.0
195.13799	0.7
197.11765	2.1
200.74457	0.5
202.15071	0.5
223.13332	1.0
249.22009	0.7
275.20163	1.4
293.21213	100.0
294.21555	8.0
295.44510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.212
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
57.03313	0.5
59.01254	4.7
71.01257	3.5
78.52103	0.4
83.01230	0.5
85.02825	0.7
89.02314	2.3
95.04892	0.8
96.95905	0.5
97.02835	0.5
98.20585	1.0
101.02308	1.1
110.39223	0.5
111.08038	1.0
113.02344	0.8
113.09629	0.8
113.22247	0.5
131.03365	1.0
134.79298	0.6
161.04494	1.8
167.10721	0.8
169.12242	0.6
170.69507	0.4
177.12758	0.5
179.14293	1.5
195.13846	13.7
196.14348	0.7
205.12325	0.9
205.15919	0.9
211.13362	0.8
221.15501	1.0
223.13350	7.9
224.13611	0.9
228.13727	0.9
231.21101	0.6
235.16977	0.6
256.13138	2.7
265.21786	0.6
275.17386	0.8
275.20160	8.0
276.20422	0.8
293.08777	4.2
293.21216	100.0
294.21548	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2119
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
51.08889	0.6
57.03313	1.0
59.01252	5.8
61.98720	0.9
64.71855	0.5
68.13373	0.6
69.03313	0.6
71.01253	3.9
71.51062	0.7
71.51504	0.6
73.02824	1.0
80.96368	1.0
85.02832	1.0
89.02329	2.7
96.95892	1.2
97.02830	0.6
101.02315	1.5
111.08054	0.8
113.02359	0.8
113.09583	1.3
131.03371	1.4
136.85890	0.6
143.03302	0.6
161.04453	2.0
167.10727	0.7
172.24313	0.5
179.10767	0.7
179.14372	1.0
195.13870	15.5
196.14264	0.8
205.12277	1.6
205.15936	1.0
205.36690	0.5
211.13483	0.9
221.15508	0.8
223.11357	0.9
223.13367	10.0
224.13873	0.6
228.13661	1.7
231.21024	0.7
233.40755	0.6
235.16956	1.6
245.94449	0.5
249.22411	0.6
256.13156	3.4
265.21613	0.6
275.17197	0.9
275.20172	6.9
276.20389	0.7
293.08786	4.6
293.17725	4.7
293.21216	100.0
294.21616	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.5
59.01254	4.7
71.01257	3.5
78.52103	0.4
83.01230	0.5
85.02825	0.7
89.02314	2.3
95.04892	0.8
96.95905	0.5
97.02835	0.5
98.20585	1.0
101.02308	1.1
110.39223	0.5
111.08038	1.0
113.02344	0.8
113.09629	0.8
113.22247	0.5
131.03365	1.0
134.79298	0.6
161.04494	1.8
167.10721	0.8
169.12242	0.6
170.69507	0.4
177.12758	0.5
179.14293	1.5
195.13846	13.7
196.14348	0.7
205.12325	0.9
205.15919	0.9
211.13362	0.8
221.15501	1.0
223.13350	7.9
224.13611	0.9
228.13727	0.9
231.21101	0.6
235.16977	0.6
256.13138	2.7
265.21786	0.6
275.17386	0.8
275.20160	8.0
276.20422	0.8
293.08777	4.2
293.21216	100.0
294.21548	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	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	1.8
59.01250	75.9
70.35329	2.3
70.35691	2.1
71.01256	37.9
72.99176	2.9
73.02793	1.6
75.00743	3.5
83.01256	1.9
85.02831	8.7
87.00758	2.9
89.01756	2.4
89.02318	48.2
95.01268	2.6
101.02319	26.6
110.02599	1.2
113.02332	16.9
113.46771	1.0
115.03888	2.7
119.03387	24.4
133.04967	3.6
143.03409	2.0
149.04491	1.1
161.04456	2.6
179.05507	2.4
184.93938	1.0
230.60637	1.2
295.10339	100.0
296.10660	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	295.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85119	1.7
54.65281	1.6
58.00472	3.2
59.01251	68.7
70.60649	4.4
71.01250	40.3
72.99196	4.0
73.02834	3.9
83.01245	3.6
85.02816	8.3
87.00742	2.7
89.01762	2.4
89.02314	45.7
95.01221	2.3
99.00762	2.4
101.02319	31.1
102.12531	2.0
113.02318	16.2
119.03374	22.7
133.04956	6.0
143.03424	3.2
158.31651	1.8
161.04430	4.8
179.05585	2.2
212.35956	2.0
247.16951	2.1
295.10339	100.0
295.22784	2.8
296.10825	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	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03313	1.2
59.01243	1.6
73.25865	0.5
79.66486	0.5
125.09639	0.8
141.12685	0.6
171.10175	35.9
172.10475	1.2
183.10201	3.2
189.16325	0.6
195.13820	2.1
277.21722	46.7
278.22147	2.9
295.22775	100.0
296.23154	9.2
305.96548	0.6
311.60840	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
57.03306	1.7
59.01244	12.4
61.26347	1.1
64.93678	1.0
69.03341	1.7
69.79015	1.4
69.79295	5.2
70.96071	1.0
71.01258	5.2
74.17181	1.2
76.25978	1.1
80.64017	1.0
85.02809	1.5
89.02336	2.1
98.19882	1.5
101.02331	3.3
106.26625	1.2
111.08043	1.7
113.02326	1.2
113.09629	2.6
121.26218	1.2
122.94224	1.2
133.04936	2.4
157.08612	70.7
158.08926	3.1
161.04457	2.5
195.13832	5.9
196.05515	1.3
225.14893	4.9
277.21716	55.4
278.21967	4.1
295.10260	1.6
295.22775	100.0
296.23071	9.1
305.84445	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.93686	0.5
57.03317	0.8
59.01241	1.8
66.70030	0.5
69.50964	3.2
108.95782	0.4
112.56652	0.5
113.09604	2.6
168.75175	0.5
177.12767	1.1
179.14314	1.5
195.13843	20.4
195.76318	0.5
196.14091	1.0
277.21722	19.4
278.22122	1.8
295.22775	100.0
296.23099	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	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
54.94165	0.3
59.01255	2.1
70.89980	0.7
71.01257	0.5
73.02824	0.5
73.49003	0.3
88.20037	0.3
89.91264	0.4
130.81253	0.4
133.04990	0.4
161.04483	0.4
249.22112	0.5
261.05109	0.4
265.21692	1.5
269.26337	0.4
277.21704	2.9
279.54980	0.4
293.21213	0.6
295.22781	100.0
296.23120	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	295.2277
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
57.03315	3.0
59.01249	4.5
63.17888	0.4
70.81064	1.0
71.01239	1.5
78.24447	0.4
98.95467	0.6
101.02311	0.9
119.03307	0.5
121.36099	0.4
137.09615	1.5
139.07538	1.0
139.11186	1.4
155.14326	7.7
161.04527	0.4
171.10187	4.7
173.70197	0.4
181.15932	0.9
188.03760	0.4
195.13805	1.6
199.82002	0.4
206.99080	0.4
217.54092	0.4
251.23772	3.1
253.09259	0.4
277.21729	8.5
295.22769	100.0
296.23090	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	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.0
59.01250	4.6
71.01247	1.1
81.65556	0.2
83.04905	0.5
85.02869	0.3
86.84331	0.3
88.95498	0.3
89.02316	0.5
89.07616	0.2
96.98717	0.2
97.06487	0.2
99.08030	0.4
101.02332	0.6
113.09628	2.3
133.04951	0.4
159.16830	0.3
161.04533	0.5
161.05959	0.3
177.12769	0.8
179.14247	1.6
181.12297	0.6
195.13844	19.9
196.14175	0.8
229.80861	0.2
247.15645	0.3
251.23672	0.3
275.19800	0.3
277.21732	18.4
278.22025	1.7
295.22784	100.0
296.23120	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03312	1.0
59.01250	4.6
71.01247	1.1
81.65556	0.2
83.04905	0.5
85.02869	0.3
86.84331	0.3
88.95498	0.3
89.02316	0.5
89.07616	0.2
96.98717	0.2
97.06487	0.2
99.08030	0.4
101.02332	0.6
113.09628	2.3
133.04951	0.4
159.16830	0.3
161.04533	0.5
161.05959	0.3
177.12769	0.8
179.14247	1.6
181.12297	0.6
195.13844	19.9
196.14175	0.8
229.80861	0.2
247.15645	0.3
251.23672	0.3
275.19800	0.3
277.21732	18.4
278.22025	1.7
295.22784	100.0
296.23120	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	297.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
70.75768	6.4
71.01254	46.0
72.99166	2.9
73.02818	6.8
79.01754	3.9
83.01250	3.2
85.02828	10.0
87.00767	3.1
89.02319	39.7
96.68073	2.5
99.00822	2.4
101.02329	31.0
113.02341	14.5
117.46275	2.7
119.03402	16.4
131.22581	2.5
135.06500	13.7
161.04471	16.1
173.01100	2.7
176.54280	2.9
179.05582	11.7
237.09738	10.0
297.11816	33.5
297.24387	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	297.1192
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01752	1.8
57.03317	3.7
58.00461	3.9
59.01250	100.0
60.03498	1.1
63.39920	1.4
71.01251	61.1
71.07203	2.8
72.99169	5.6
73.02812	7.7
75.00748	2.6
82.16525	1.2
83.01254	3.2
85.02827	13.3
87.00751	4.6
89.02315	66.8
95.01246	3.5
99.00751	4.3
101.02322	42.7
105.01836	2.1
110.36353	1.1
113.01546	1.3
113.02336	25.4
119.03391	32.7
131.03401	3.3
135.04420	16.0
135.06522	25.4
143.03398	4.4
149.04459	1.4
149.05969	1.3
159.02861	2.5
161.04443	18.7
179.04114	1.5
179.05553	16.2
211.76375	1.4
227.93118	1.2
237.09721	7.0
247.02832	1.4
297.08191	6.4
297.11819	44.9
297.16971	1.7
297.24356	9.8
298.12274	2.6
298.24902	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.8
57.03317	3.7
58.00461	3.9
59.01250	100.0
60.03498	1.1
63.39920	1.4
71.01251	61.1
71.07203	2.8
72.99169	5.6
73.02812	7.7
75.00748	2.6
82.16525	1.2
83.01254	3.2
85.02827	13.3
87.00751	4.6
89.02315	66.8
95.01246	3.5
99.00751	4.3
101.02322	42.7
105.01836	2.1
110.36353	1.1
113.01546	1.3
113.02336	25.4
119.03391	32.7
131.03401	3.3
135.04420	16.0
135.06522	25.4
143.03398	4.4
149.04459	1.4
149.05969	1.3
159.02861	2.5
161.04443	18.7
179.04114	1.5
179.05553	16.2
211.76375	1.4
227.93118	1.2
237.09721	7.0
247.02832	1.4
297.08191	6.4
297.11819	44.9
297.16971	1.7
297.24356	9.8
298.12274	2.6
298.24902	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
59.01257	1.7
65.07941	0.3
71.01249	1.1
74.93755	0.3
76.32438	0.3
77.23154	0.3
89.02316	0.9
98.20630	0.7
101.02320	0.6
119.03394	0.4
161.04504	0.4
183.01070	0.3
224.62433	0.3
230.14980	0.3
251.23706	1.4
270.71710	0.3
279.23245	0.9
295.22723	1.1
297.24338	100.0
298.24707	9.1
303.77960	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2434
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01255	4.9
69.53735	2.4
69.89015	0.4
71.01251	2.1
81.51254	0.4
83.06544	0.4
85.02825	0.5
89.02312	2.3
90.62884	0.4
101.02333	1.4
113.02309	0.6
119.03386	1.0
125.09642	0.7
127.11168	1.9
135.06522	1.5
153.12776	1.1
161.04474	0.7
162.53241	0.4
164.71222	0.4
171.10164	10.6
179.05550	0.5
261.22281	0.4
267.04712	0.4
279.23288	11.0
280.23572	0.8
295.22742	0.9
297.11749	1.6
297.15286	1.6
297.24338	100.0
298.24707	9.4
306.53943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0553
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
58.98879	0.1
63.01982	0.2
63.02268	2.4
64.94262	0.1
65.00192	1.3
69.37791	0.9
69.63953	0.1
69.82549	0.1
71.66076	0.1
83.01242	2.0
92.93404	0.1
95.01262	0.2
100.40257	0.1
105.61122	0.1
107.01262	3.8
109.53181	0.1
123.00793	0.3
125.02282	0.2
125.31091	0.1
132.02063	0.5
133.02846	1.2
134.03632	2.0
137.02368	0.2
145.02815	0.6
146.03595	0.2
148.01556	0.7
149.02284	0.3
149.99477	0.5
151.00281	5.1
158.03548	0.3
169.01306	0.6
171.04417	0.2
172.05135	0.3
174.03088	0.3
183.04411	0.9
184.05096	0.3
185.02296	0.2
187.03920	0.6
188.04666	0.6
195.04471	0.3
199.03946	1.0
200.04706	1.0
211.03969	1.8
212.04575	0.5
213.01932	0.2
215.03244	0.2
227.03448	3.9
228.04076	0.5
239.03494	0.7
240.04129	0.2
243.02774	0.2
255.02953	2.6
256.03735	12.7
257.04166	0.7
267.02982	0.3
279.70023	0.2
283.02512	1.1
284.03250	100.0
285.03586	7.0
299.05597	76.7
300.02814	0.3
300.05939	5.6
320.25006	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	299.0561
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.24135	0.2
63.02269	0.9
65.00205	0.6
69.31767	1.2
69.32184	0.3
74.98965	0.3
83.01260	1.1
83.64400	0.2
104.02588	0.3
107.01276	2.1
123.00765	0.2
125.02330	0.5
132.02040	1.0
133.02826	0.3
134.03618	0.7
135.00798	0.2
137.02289	0.2
145.02843	0.9
148.01543	0.4
149.02425	0.3
149.99559	0.3
151.00264	3.7
152.01108	0.3
161.02293	0.4
169.01360	0.3
172.05222	0.2
183.04398	0.6
185.10362	0.2
187.03835	0.2
188.04712	0.4
195.04553	0.2
199.03938	0.7
200.04703	0.9
211.03946	0.9
212.04666	0.3
215.03523	0.2
227.03438	3.2
228.04062	0.5
239.03510	0.5
243.02983	0.4
255.02888	1.8
256.03748	28.8
257.04114	1.5
267.03119	0.2
271.02493	0.8
283.02429	0.7
284.03256	100.0
285.03577	6.9
299.05597	67.7
299.16425	1.1
300.02573	0.4
300.05923	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	299.0561
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
59.01252	0.9
63.02260	1.3
65.00198	0.7
69.24511	2.9
73.06285	0.3
83.01253	1.2
83.98402	0.3
93.03352	1.7
98.19711	0.6
103.55471	0.3
107.01275	2.9
117.03340	1.0
119.04906	0.4
120.56829	0.3
121.02793	0.4
123.00791	0.5
124.13348	0.3
132.02066	0.6
133.02873	1.2
133.37418	0.4
134.03612	1.6
137.02347	5.5
145.02853	4.5
148.01547	0.4
149.99428	0.6
151.00307	3.5
161.04575	0.4
163.11217	0.4
169.01369	0.3
183.04436	0.8
187.03783	0.5
188.04688	0.8
199.04053	0.9
200.04697	0.5
207.10138	2.4
211.03941	1.0
225.11278	2.1
227.03496	2.9
239.03552	0.7
255.02905	2.0
256.03745	20.9
257.04102	1.0
271.02499	0.5
283.02625	0.9
284.03259	100.0
285.03610	7.3
299.05597	69.4
299.16528	7.0
300.05930	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	299.0773
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
58.78362	0.6
59.01239	1.1
70.27363	1.7
70.27725	0.9
71.01255	2.6
77.08478	0.6
85.02816	1.5
93.03339	70.3
94.03686	1.6
96.96886	0.7
100.68081	0.7
102.78007	0.7
113.02324	1.1
114.41908	0.6
117.03320	1.1
119.04943	1.1
123.03169	1.6
128.94728	0.6
137.02348	100.0
138.02687	3.5
138.05501	11.2
145.02858	8.9
198.44119	0.7
291.53790	0.7
299.16516	12.9
299.25620	0.7
300.16815	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0772
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
59.01244	2.1
59.51732	0.8
62.90170	0.8
69.80600	2.0
69.81004	3.0
71.01250	3.6
78.95765	2.0
86.26162	0.9
90.27198	1.0
93.03336	58.5
94.03659	1.0
98.20490	1.1
101.02308	1.9
113.02303	1.4
117.03356	2.6
137.02348	100.0
138.02669	4.0
138.05479	1.2
145.02856	11.1
299.16513	21.3
300.16605	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0773
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
54.63867	0.5
59.01252	1.1
69.15300	1.0
69.15704	4.3
70.33567	0.5
71.01261	0.7
71.09969	0.6
93.03333	4.9
95.09751	0.6
103.00005	0.5
103.13317	0.5
108.02028	0.6
109.02852	1.2
117.03358	2.2
136.01575	1.5
137.02345	100.0
138.02713	3.1
145.02849	9.7
145.03922	0.8
156.47362	0.7
162.03107	0.6
168.84157	0.6
185.28798	0.5
291.44333	0.6
299.07819	6.2
299.16507	13.0
299.25784	0.9
300.16928	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1501
Annotation	Strobilol C
Peak:m/z	Relative Intensity
52.40181	0.8
53.04331	0.9
59.01254	7.2
71.01235	1.8
71.51740	1.0
81.03323	1.8
83.04886	1.3
91.03844	2.1
97.02827	10.3
99.00729	1.0
109.02813	1.2
109.05845	1.2
109.06477	13.9
110.03576	3.0
117.03271	0.9
123.12980	0.8
125.09560	1.4
135.08041	2.2
136.05138	1.9
137.02272	1.5
142.02545	2.6
145.02852	6.5
161.09631	1.5
163.11205	17.2
181.12309	6.1
189.09100	2.3
207.10205	100.0
208.10547	6.4
225.11284	52.3
226.11484	4.0
241.04973	1.6
255.11273	2.3
269.04419	3.0
271.02151	1.3
284.03113	2.1
284.06616	1.9
299.02112	1.3
299.05563	2.3
299.09183	2.9
299.14862	54.5
300.15381	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	299.259
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
51.37431	0.4
59.01242	1.2
63.32677	0.5
68.59056	0.4
72.26346	0.5
75.04483	0.4
79.35909	0.4
82.80154	0.5
112.83974	0.4
117.03342	3.0
119.04875	0.7
121.02818	0.8
137.02357	0.8
137.79115	0.5
138.05502	2.1
145.02855	15.5
146.03207	1.0
188.53206	0.5
253.25372	3.1
281.24945	1.2
284.03268	1.9
297.24274	0.7
299.05524	1.4
299.16562	22.6
299.25903	100.0
300.17035	2.2
300.26218	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	299.259
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
59.01246	1.0
60.71059	0.4
63.82479	0.3
69.55897	0.3
71.30484	0.9
76.65659	0.4
89.02310	0.5
112.06059	0.4
117.03355	1.9
119.04906	0.7
121.02844	0.7
126.55687	0.4
134.38890	0.4
137.02322	0.5
138.05499	1.8
139.11211	0.4
141.12740	2.3
145.02843	13.3
146.03152	0.9
163.03809	0.4
224.20378	0.4
253.25316	1.6
271.22772	1.4
281.24652	2.6
284.03229	2.4
285.03702	0.4
297.24408	1.4
299.05585	1.4
299.16489	18.9
299.20148	25.3
299.25873	100.0
300.16861	1.8
300.20474	3.2
300.26242	7.7
314.69910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00217	0.4
59.01251	1.9
61.56055	0.3
68.01289	2.4
71.01262	0.6
72.29266	0.3
80.82022	0.3
82.10380	0.3
84.50223	0.3
87.00739	0.3
89.02367	0.4
95.04926	0.4
96.04411	0.6
110.05994	0.4
118.74900	0.3
122.02378	1.0
123.03157	5.9
124.03937	0.3
124.07565	1.0
130.08644	1.0
137.04730	1.1
138.05507	100.0
139.05878	3.0
146.03177	0.5
151.65295	0.3
152.07106	1.8
166.08656	0.6
167.05786	2.0
168.06624	0.8
172.50020	0.4
180.06583	5.2
192.06610	0.4
210.07646	0.6
233.70685	0.4
240.08783	0.5
300.10873	13.5
300.16574	1.1
300.19611	0.5
301.03531	1.0
320.88348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0355
Annotation	Tricetin
Peak:m/z	Relative Intensity
53.22771	0.4
57.03305	0.6
57.03862	0.4
59.01257	0.9
63.02261	1.4
65.00197	3.6
67.01734	0.7
68.99691	0.5
71.01236	0.4
71.52612	0.5
77.03850	0.8
80.04918	0.6
81.03346	0.4
83.01266	2.0
93.03333	1.8
95.01273	1.9
105.03342	0.6
106.06516	1.3
107.01265	5.1
108.02066	0.5
108.04428	5.0
109.02845	5.7
111.00745	2.3
119.01279	1.7
121.02847	3.3
122.06030	0.5
123.00764	2.3
124.07585	1.7
125.02309	1.5
125.73598	0.4
132.02063	0.5
133.02852	16.6
135.04395	2.8
136.07587	8.1
136.98700	1.0
137.02338	8.4
137.07936	0.4
139.00288	2.4
139.03885	0.6
143.04874	0.7
145.02914	0.7
145.06488	0.4
147.00772	2.2
147.04390	1.2
147.21228	0.4
148.01529	1.0
149.01215	0.8
149.02344	9.3
150.02722	0.6
151.00267	7.8
152.99437	0.5
159.04416	0.7
161.02385	0.7
161.05954	0.7
163.00276	1.9
163.03937	0.7
164.01039	0.6
164.98206	0.7
165.01843	11.8
166.99799	1.4
167.04945	0.5
169.02751	0.5
171.04407	1.2
173.05934	0.7
175.00330	0.6
175.03885	1.1
176.01060	1.1
177.01805	1.9
178.99728	0.7
183.04462	1.1
187.03986	2.1
189.01845	1.2
189.05460	0.9
190.99814	1.0
191.03368	1.0
192.00577	2.4
193.01318	1.8
199.03870	0.5
201.01799	2.0
201.05515	1.2
203.03503	0.7
211.03961	2.7
211.13228	0.7
213.01880	0.6
213.05602	1.3
214.12225	0.4
215.03461	2.7
227.03484	3.1
229.04984	3.0
231.02963	0.7
233.04556	1.0
239.03503	1.6
242.02174	0.5
242.10754	0.4
243.03084	2.0
245.04472	0.8
255.02980	7.8
256.03641	0.8
257.04526	8.1
257.12943	20.7
257.15674	1.0
258.04883	0.8
258.13229	1.6
259.02234	0.7
272.02927	0.6
273.04059	2.7
283.02496	9.8
284.03088	1.8
301.03510	100.0
301.11865	1.8
301.20328	0.9
302.03918	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	301.0929
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
59.01255	1.1
69.47275	0.8
69.51012	4.3
93.03335	5.9
110.66656	0.7
117.02523	0.9
121.02828	8.1
123.00749	1.6
129.62054	0.8
138.03116	1.4
139.03909	100.0
140.04225	3.9
147.51532	0.8
154.54744	0.9
165.01846	1.3
301.09006	0.9
301.17224	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.166
Annotation	Viridamine
Peak:m/z	Relative Intensity
60.97383	1.1
69.36369	3.6
73.02796	0.4
79.48131	0.5
107.60714	0.6
118.96157	0.7
134.99286	5.7
136.97209	1.9
143.05185	1.1
159.08409	2.0
161.06297	5.9
172.30165	0.6
177.17921	0.5
201.16582	0.5
203.05643	3.1
205.03491	1.5
215.05551	1.1
217.07166	81.7
218.07262	5.7
261.06094	0.9
285.13477	34.3
286.13770	2.8
301.16602	100.0
302.16785	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	301.2019
Annotation	Koninginin G
Peak:m/z	Relative Intensity
55.03785	0.5
57.03331	3.0
59.01229	1.2
69.03345	0.5
71.04874	0.6
78.95773	0.7
81.03279	0.5
95.04884	0.7
96.11800	0.5
97.06491	3.0
99.08063	0.9
113.05923	0.7
113.09609	2.0
123.00768	1.6
123.08050	0.7
125.09613	13.1
127.11134	0.6
129.13643	0.5
131.06998	1.0
138.03137	0.6
139.11154	0.6
174.68365	0.6
187.08107	0.7
187.09711	11.2
187.11362	0.7
188.10049	0.9
211.20656	0.7
217.07050	0.5
221.19064	34.3
222.19408	3.0
229.08667	0.8
239.20065	3.5
257.21158	1.4
265.18091	19.1
266.18463	1.7
283.19159	19.3
283.22299	1.0
284.19458	2.2
301.00192	0.6
301.16809	6.0
301.20181	100.0
302.17383	0.7
302.20502	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	304.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	43.0
71.05878	1.0
92.97278	1.2
127.23159	1.0
155.67674	1.2
168.13857	100.0
169.14174	3.3
212.12880	5.1
261.81525	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1759
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01751	1.4
57.03332	2.5
57.51043	1.2
58.22430	1.2
59.01250	4.7
61.98688	1.6
65.03828	4.1
69.03347	2.4
71.01260	4.0
71.04895	18.9
71.52390	2.0
73.02808	1.4
76.37934	1.3
79.05396	13.2
81.03346	1.9
89.02329	1.4
93.03356	3.5
93.37902	1.2
95.04903	4.7
97.06468	13.4
104.70106	1.3
106.04118	8.1
107.04937	3.4
109.06479	5.8
113.02305	1.8
117.06956	1.6
119.04935	1.5
120.05700	5.7
121.06491	4.9
123.08076	5.9
125.09618	18.4
133.06444	2.0
135.08057	100.0
136.08368	4.6
137.09634	3.0
139.89365	1.5
140.78642	1.4
147.08055	1.7
151.11223	3.6
161.06035	2.2
163.11235	3.0
165.09187	3.4
185.11804	2.2
189.12833	5.3
205.15926	9.8
207.10236	1.6
228.81886	1.6
231.13960	2.9
233.11868	3.4
243.17638	3.2
249.14932	53.6
250.15498	1.7
261.18564	1.6
263.16501	1.9
269.15378	1.5
271.17194	1.6
287.16516	20.1
288.16821	2.3
305.08865	2.4
305.17642	95.5
305.21194	13.3
306.17957	9.7
313.97394	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1759
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03317	1.5
58.02837	1.9
59.01250	5.3
69.03330	2.1
69.29845	8.2
70.33688	0.9
71.01271	1.6
71.04895	48.6
77.72341	0.9
80.02567	1.4
81.03325	3.2
83.04884	1.5
93.03327	2.6
95.04907	23.2
106.04117	3.3
107.04933	2.4
109.02812	2.7
109.06481	19.4
111.04398	2.7
111.26279	0.9
119.04909	1.8
121.06484	5.7
122.56691	0.9
123.04409	1.6
123.08037	2.0
127.07537	3.8
130.99573	1.0
133.21338	0.8
135.08037	3.4
139.07553	1.3
141.09059	0.9
147.04446	2.9
147.08090	4.5
149.09622	1.2
150.06760	1.9
153.09219	0.9
161.05989	3.1
161.09621	1.4
164.08324	2.0
165.09149	13.8
168.13824	1.0
169.14171	1.6
175.07588	1.1
175.11224	1.4
177.09221	1.2
189.12802	16.0
203.14348	1.0
205.15907	9.5
231.13892	2.5
233.11848	7.8
243.17569	10.0
249.14978	14.4
250.15305	1.2
253.96997	0.9
261.18558	1.8
269.15582	2.8
287.16553	89.7
288.16867	6.9
289.14493	1.2
305.17593	100.0
306.17950	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	305.1758
Annotation	Mikanialactone
Peak:m/z	Relative Intensity
58.02844	1.7
59.01254	11.4
64.60224	1.8
71.01254	3.6
81.03324	5.0
83.04882	4.6
91.05338	1.9
93.03356	4.8
95.01264	4.0
95.04912	6.3
97.06449	9.4
99.04419	2.1
107.04915	3.0
108.86616	1.9
109.02817	8.4
109.06454	3.1
111.00745	2.1
111.04389	1.7
115.48628	1.9
121.02838	3.1
121.06490	2.6
123.00757	4.5
123.04377	2.4
123.08002	2.9
125.02345	4.5
125.05968	12.7
127.07497	11.7
135.04390	2.4
136.05200	3.6
138.06754	5.4
139.07521	2.3
141.09058	2.2
149.09618	7.4
151.07599	1.9
151.11153	6.8
164.08301	3.1
167.10625	2.6
175.11237	3.5
177.12860	3.1
179.10657	2.4
189.12758	8.1
193.12241	2.0
195.13843	26.9
223.13248	3.4
231.13847	5.3
233.19061	3.9
243.17488	42.5
244.17892	3.8
250.12013	12.9
259.17038	5.1
261.18481	10.2
265.10745	3.0
269.15637	3.8
277.18234	2.4
285.69931	2.4
287.16553	48.6
287.19714	2.8
288.16925	4.2
305.08392	2.4
305.17584	100.0
306.17859	7.7
327.27246	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	305.1759
Annotation	Corrin
Peak:m/z	Relative Intensity
50.28022	1.2
51.13979	1.2
59.01244	5.9
63.48185	1.1
69.03294	1.4
71.01253	3.6
71.04890	34.0
71.52149	1.4
71.52527	1.3
81.03345	3.6
83.01283	1.6
83.04932	1.6
87.00752	1.6
93.03326	2.5
95.04913	17.6
97.06472	1.4
106.04126	3.2
107.04899	2.3
109.02860	1.9
109.06496	13.6
111.04414	1.5
113.02339	1.9
119.04889	1.3
119.44212	1.2
120.05656	1.6
120.41685	1.2
121.06483	5.2
122.03614	2.1
123.08038	1.6
125.09622	2.8
125.45552	1.2
127.07526	2.1
134.72641	1.3
135.08047	14.5
139.07536	1.6
147.04404	1.5
147.08038	2.4
149.06000	1.4
149.09595	1.5
150.06778	1.4
161.05943	1.6
161.09607	1.6
165.09103	9.6
189.12778	12.1
205.15936	9.9
231.13919	1.6
233.11800	5.0
243.17485	9.4
249.14963	12.9
261.18539	3.1
269.15500	1.6
280.73300	1.3
287.16528	73.0
288.16852	6.1
305.08490	4.0
305.17584	100.0
306.18060	6.8
323.08463	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	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28076	0.5
59.01243	2.3
61.25803	0.5
69.26462	1.5
69.26878	3.1
71.01247	1.4
74.98949	4.7
77.74545	0.5
78.65913	0.5
86.23676	0.6
87.60180	0.6
89.02333	0.7
91.02095	2.7
93.00008	3.9
98.19835	1.2
101.02293	1.3
103.03889	0.5
113.02290	0.5
119.03383	0.6
149.00832	3.4
156.87029	0.5
159.08377	6.1
161.04488	1.2
161.06316	1.7
190.68422	0.5
206.99744	1.3
209.01154	2.6
217.07190	0.8
223.02786	50.6
224.02794	3.6
241.03767	1.5
289.07523	2.3
289.18118	0.8
291.09088	100.0
292.09195	11.6
301.23474	0.5
307.09753	0.8
307.12756	1.3
307.19217	1.6
309.10132	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	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95608	0.3
55.54259	0.3
59.01250	1.3
59.96610	0.3
60.97393	0.3
71.01259	0.6
74.98947	5.1
76.77264	0.2
85.02842	0.2
89.02330	0.3
91.02090	2.9
93.00018	3.4
95.23331	0.2
97.02812	0.3
102.93091	0.3
145.75140	0.3
149.00856	3.5
154.45915	0.2
159.08382	7.1
161.04419	0.5
161.06323	2.2
192.98090	0.6
206.99612	1.6
209.01212	2.9
212.02222	0.2
217.07120	0.8
223.02795	50.3
224.02820	4.7
225.00679	0.4
241.03880	0.9
244.65811	0.2
275.05927	0.7
289.07602	1.9
291.09097	100.0
292.09207	10.7
307.12534	2.8
309.10168	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.14
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01758	1.2
57.03321	1.0
57.94580	0.5
58.00467	2.0
59.01252	44.9
71.01251	28.8
71.10377	0.4
71.10705	0.4
72.99183	3.1
73.02823	2.6
75.00777	0.6
75.87324	0.4
82.15420	0.4
83.01250	3.4
85.02818	7.3
87.00759	1.9
89.02316	22.1
95.01258	1.6
99.00764	1.3
99.08034	26.3
100.67937	0.4
101.02319	18.5
101.23271	0.4
113.02325	9.8
119.03381	8.2
119.04891	0.4
119.69962	0.4
120.19411	0.4
125.02371	0.6
127.00299	0.8
127.07526	4.2
129.09079	2.3
129.91663	0.4
130.50682	0.4
131.03381	0.8
137.37170	0.4
141.09106	1.8
143.03384	0.6
143.07063	0.5
145.01335	1.1
145.08607	74.6
146.08966	2.5
149.04463	0.8
159.02852	0.4
161.04468	1.9
179.05537	1.3
187.09706	1.9
191.15746	0.4
215.35968	0.5
215.96681	0.4
307.13980	100.0
308.14343	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	307.14
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00449	2.8
58.77845	1.2
59.01250	47.5
68.63041	1.5
68.84766	1.2
69.03343	1.7
69.40788	1.4
71.01254	28.5
71.47803	2.0
72.99163	4.0
73.02805	3.3
75.00736	1.8
79.95583	1.5
80.96384	4.6
83.01244	4.2
85.02810	8.4
87.00749	3.2
89.02312	22.1
95.01241	2.2
97.02853	1.6
99.00749	3.7
99.08039	22.9
101.02323	18.8
103.03893	1.5
113.02327	9.8
119.03391	8.7
119.04937	2.5
127.07530	5.8
127.51328	1.6
129.09108	1.9
141.09084	3.5
145.01282	3.4
145.08607	66.5
150.56047	1.5
156.99280	1.5
161.04517	3.3
167.82811	1.3
187.09784	2.5
307.10770	4.6
307.13959	100.0
308.14261	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70554	3.2
55.16488	3.1
57.03325	7.7
59.01254	9.1
79.95618	3.8
81.03333	4.1
83.01254	7.4
83.04917	5.0
88.18547	3.1
88.36748	3.6
89.82714	3.3
95.04926	5.5
95.60895	3.1
97.02849	6.5
97.06471	12.6
98.20665	6.9
114.91896	3.2
119.08481	3.1
123.04402	10.5
123.08060	3.5
125.06059	3.8
125.09613	23.0
137.09621	12.0
149.05930	3.7
163.11195	13.9
165.09026	4.2
167.10632	5.2
171.10263	4.2
176.03195	3.5
181.12234	7.2
185.11827	23.2
185.13382	4.2
191.10710	4.9
191.14333	24.6
207.10255	12.9
209.11736	35.1
209.13243	3.2
217.15862	4.0
225.11275	13.7
229.15636	3.3
245.19113	49.6
271.16974	4.4
272.68149	3.7
289.18106	100.0
290.18500	8.2
307.19043	50.1
308.19315	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	14.4
59.01250	13.2
69.03319	6.7
69.51292	12.2
69.63342	2.5
71.01258	18.2
73.02818	3.0
78.95754	2.6
80.02538	3.3
81.03314	3.0
83.04890	6.4
95.04917	6.1
97.02807	3.0
97.06468	23.3
98.19801	3.9
101.02296	3.3
107.04880	2.7
107.08488	2.3
109.06494	3.7
111.08025	14.0
121.06470	3.2
123.04437	3.9
123.07991	3.7
123.29528	2.7
125.09606	8.0
127.11174	2.5
135.08067	2.5
137.02344	3.0
137.09651	3.8
149.09613	4.0
149.78609	2.2
151.11212	27.0
153.09114	5.1
153.12755	3.4
155.10681	15.3
161.04459	5.1
163.11183	7.7
165.08989	2.6
165.12723	32.2
166.13055	2.5
167.10661	6.8
169.12238	4.0
171.10144	6.2
177.12698	4.8
179.10699	9.1
181.12273	27.9
182.12711	2.2
185.11765	8.7
191.10696	13.6
191.14333	8.6
195.10265	3.3
197.11740	3.1
205.12231	4.7
209.11768	69.7
210.12082	4.2
210.80724	2.6
211.13379	10.5
224.10530	3.2
226.11963	2.6
239.09314	5.1
245.16718	3.5
245.19101	45.1
246.19446	3.1
261.18484	2.9
263.17670	2.2
263.20120	14.7
271.17282	3.5
279.19617	6.7
289.18082	50.3
290.18338	7.3
307.10336	9.1
307.19125	100.0
308.19446	8.6
318.78909	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	307.1916
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
56.77330	2.2
57.03335	10.0
59.01248	11.0
69.03306	3.2
71.01255	10.9
71.03322	2.2
79.67680	2.2
81.03358	2.0
83.04900	6.3
87.13922	1.9
94.40569	2.2
97.06482	16.8
109.06465	5.2
111.08054	11.2
123.04424	2.3
125.09612	4.7
137.09631	3.9
149.09627	4.9
151.11205	18.0
153.09126	4.7
153.12781	2.6
153.63254	2.0
155.10716	15.3
161.09558	2.0
163.11168	5.1
165.09120	1.9
165.12762	23.9
167.10762	4.8
177.12743	4.3
179.10693	7.1
181.12282	24.7
191.10689	9.6
191.14340	10.0
195.10184	4.0
197.11794	2.6
209.09888	4.0
209.11789	46.3
210.12148	2.7
211.13321	7.2
227.15323	2.9
235.20735	3.2
239.09209	4.3
245.19080	35.8
246.19487	3.0
263.20209	10.6
271.17044	4.5
279.19617	5.9
289.18121	49.5
290.18509	3.8
304.73871	2.1
307.19147	100.0
308.19458	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11660	1.7
56.84101	1.5
57.03311	6.1
57.32690	1.5
59.01257	9.8
67.76257	1.6
69.03316	2.8
69.40145	11.8
71.01244	3.1
80.02544	2.9
80.29925	1.5
81.03316	4.8
83.01241	5.6
83.04888	3.9
84.32253	1.8
95.04916	2.8
96.95886	2.2
97.02820	6.1
97.06447	6.3
100.25983	1.7
106.96298	1.5
109.02863	2.2
109.06431	2.1
111.08032	1.8
115.74410	1.6
121.06480	2.3
123.04414	9.5
123.08025	4.5
125.05988	2.5
125.09612	18.7
135.08018	2.8
137.09619	13.2
141.12701	3.1
142.02650	2.5
149.05991	3.2
151.11105	1.5
158.87154	1.7
162.94527	2.0
163.07439	2.0
163.11205	13.0
165.12790	4.3
171.10222	2.8
179.10652	2.3
181.12245	2.8
185.11786	19.9
191.10732	3.0
191.14320	18.9
207.10304	7.6
209.11769	25.5
211.13289	1.9
217.15988	3.0
225.11253	8.6
227.18071	1.8
245.19089	45.7
246.01459	1.9
246.19450	3.7
247.16911	1.9
263.20074	2.2
270.77222	1.6
271.17035	4.8
289.18094	100.0
290.18390	11.2
307.10208	3.3
307.19107	57.9
308.19376	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26036	1.8
50.95750	1.7
53.61046	1.5
55.01757	6.5
57.03312	6.2
59.01259	8.4
65.03836	68.2
66.04134	2.1
69.03304	2.1
71.01253	5.6
71.04889	34.3
71.08668	4.0
78.95764	1.7
83.04903	5.8
84.74614	1.8
85.02802	2.8
88.46651	1.7
93.03333	5.1
97.02872	2.4
97.06469	73.7
98.19838	1.7
109.06482	2.9
117.06993	4.4
119.08552	16.7
121.06483	100.0
122.06822	2.2
123.08027	3.7
125.09621	44.7
133.06453	2.6
135.08061	22.5
137.09624	4.7
161.04494	2.8
171.10164	15.8
185.11755	82.2
186.12103	3.9
209.11794	34.0
211.13347	41.1
212.13704	3.1
233.15190	2.3
235.13354	87.4
236.13661	8.3
249.14940	6.0
289.18091	34.3
290.18311	3.5
307.10422	3.1
307.15680	2.8
307.19107	28.5
308.19467	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.6
57.03316	4.3
59.01244	5.7
61.98717	4.3
65.03835	69.8
71.01237	1.9
71.04885	39.0
71.37489	3.9
74.81961	1.8
78.95765	2.1
97.06466	73.0
113.02294	1.7
115.34016	2.4
119.08556	11.2
121.06483	100.0
122.04414	2.0
122.05403	1.9
122.06848	2.9
123.08067	3.7
123.69122	1.6
125.09606	41.8
126.10000	2.1
137.09590	4.7
141.12700	2.0
158.67583	2.0
185.11766	82.4
186.12126	3.6
209.11775	32.4
211.13326	32.6
212.13734	2.6
235.13365	87.1
236.13756	5.3
289.18179	16.2
290.18491	2.0
307.10562	2.9
307.19128	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01730	0.5
57.03316	0.5
59.01257	3.6
64.71757	0.4
68.29577	0.4
69.03345	0.6
69.30391	0.8
69.30714	3.4
71.01242	1.2
71.04895	6.1
73.02827	0.5
78.95811	0.5
80.02553	0.9
81.03327	1.7
83.04902	2.0
85.02808	0.6
95.04900	2.2
96.95844	0.4
97.06475	0.6
98.03618	2.3
98.19785	0.5
101.02296	0.6
101.59611	0.4
106.04145	0.7
107.04937	0.5
109.06477	13.4
110.03603	0.6
110.68092	0.4
111.04419	8.3
111.08067	1.3
112.05197	0.9
120.05723	0.5
121.06448	0.6
123.04433	0.6
123.08035	2.0
126.46873	0.4
127.07532	4.2
135.08051	0.8
137.06009	0.8
137.09621	0.9
143.10661	2.1
145.06516	1.9
149.05963	0.9
149.09645	1.2
151.11209	0.6
167.10716	1.9
177.12816	0.7
179.10721	1.7
181.12222	1.2
191.14394	0.9
195.13847	4.1
207.17531	0.8
235.13391	1.4
235.33018	0.4
245.19099	5.9
246.19307	0.6
249.14917	0.6
251.16547	1.2
261.18549	0.7
271.17001	1.2
273.14978	0.8
287.16559	2.0
289.18106	100.0
290.18454	8.9
307.10428	1.1
307.15741	0.5
307.19119	11.2
308.19571	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2277
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.36371	2.7
59.01247	16.8
61.77359	2.3
71.01251	9.2
71.42371	2.5
85.02816	4.1
89.02316	4.7
101.02277	2.4
101.05724	2.3
103.03853	4.4
119.04871	3.0
124.53432	3.1
124.95344	2.2
179.14308	7.0
199.40317	2.7
205.12247	2.8
205.15927	6.8
223.13382	13.0
271.73065	2.3
275.20145	100.0
276.20447	5.8
287.25894	2.4
287.62308	2.3
307.10312	10.0
307.19336	3.5
307.22757	79.4
308.23233	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	307.228
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01249	0.9
59.29618	0.6
64.58776	0.5
71.01241	0.7
78.38528	0.5
81.25681	0.5
82.23203	0.6
98.90362	0.6
101.02306	0.6
193.41554	0.6
307.22784	100.0
308.23120	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	309.1191
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01754	2.3
58.00448	2.6
59.01249	68.2
68.57748	1.4
71.01254	38.9
71.14108	2.4
72.99168	4.2
73.02796	3.4
75.00743	3.8
83.01259	2.9
85.02828	8.2
87.00769	2.1
89.02310	31.1
94.73547	1.3
95.01276	2.2
101.02320	20.8
105.07292	1.3
107.38273	1.4
113.02327	15.4
119.03394	11.8
129.05476	8.1
143.03406	1.8
143.04909	2.7
147.06500	8.5
159.04453	1.6
161.04471	1.6
184.31848	1.3
271.06265	1.9
309.11923	100.0
310.12192	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.2
59.25290	0.2
64.96889	0.3
70.38762	0.4
70.39130	0.5
78.61727	0.2
79.95601	9.3
80.96384	0.6
94.97944	0.6
95.95106	2.2
96.95886	82.9
104.17111	0.2
122.97472	2.5
138.96939	0.3
158.11067	0.2
209.15277	0.3
309.17398	100.0
310.17734	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04435	2.4
57.03310	3.2
58.29720	2.6
59.01244	10.2
64.93047	2.8
69.03316	9.2
70.27445	5.3
70.27786	6.5
74.24279	3.2
82.88975	2.4
83.04861	3.8
96.95856	7.8
104.62981	3.0
111.08018	24.0
113.02327	2.9
119.08545	16.2
125.09576	6.9
127.11249	3.1
137.09615	25.2
139.11229	3.1
151.03868	4.1
151.07487	4.1
152.08293	4.3
155.10724	4.1
167.10684	5.2
169.12160	6.7
171.08781	5.4
171.10187	86.7
183.10173	6.6
183.13835	4.1
185.11781	19.9
192.02049	3.0
197.10016	5.0
197.11771	86.3
198.12106	4.9
199.13292	3.8
201.11107	3.3
209.15314	7.8
211.13429	16.2
213.11194	8.3
225.14926	24.4
229.19666	3.4
263.20093	7.1
265.18179	3.7
269.04919	3.0
273.18588	13.2
291.16739	3.9
291.19693	49.8
292.19925	4.2
309.17084	14.9
309.20639	100.0
310.20877	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14607	1.0
69.03330	1.1
69.97643	2.8
69.98052	2.0
98.47114	1.0
100.92460	1.0
109.06497	1.6
111.08040	34.6
112.08338	1.3
123.46607	1.0
127.07529	1.8
137.96770	0.9
151.11221	1.1
153.12727	2.0
169.12265	6.3
179.10646	1.2
181.12299	1.9
197.11772	100.0
198.12099	4.8
199.13272	3.1
209.15369	2.1
211.13322	10.2
227.12811	4.8
263.20212	5.8
265.17950	2.6
273.18552	2.0
291.19672	17.7
292.20026	1.6
309.20706	31.0
310.20929	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	2.2
58.00462	2.0
58.47804	1.8
59.01258	3.6
60.21409	1.5
65.50686	1.6
69.03320	3.6
71.01250	3.7
74.05075	2.3
97.02792	4.0
99.00771	1.9
103.85192	1.5
109.06472	2.8
111.08041	35.4
113.68924	1.5
125.00503	1.5
125.09536	1.7
127.07569	2.8
134.58405	1.6
137.09605	7.7
151.03918	9.0
151.07570	12.6
152.08318	18.0
153.12779	3.3
169.12254	6.5
171.10213	16.1
181.12193	3.5
183.13823	2.7
184.07362	2.3
185.11754	1.9
188.13882	1.8
193.12285	3.8
195.13818	3.8
197.11765	100.0
198.12120	4.1
198.31689	1.7
199.13365	5.1
201.11330	2.2
209.15378	22.7
210.15787	2.4
211.13361	16.0
216.67610	1.6
227.12862	2.7
252.10071	4.4
263.20157	6.2
265.18112	6.6
273.18607	4.3
288.15567	1.9
291.16351	3.7
291.19638	30.6
309.17035	44.1
309.20703	64.6
310.17203	4.6
310.21027	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	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03330	1.6
59.01245	3.4
59.85496	0.9
60.55089	0.9
63.74891	0.9
66.57350	0.9
69.03334	1.1
69.43330	7.4
70.59303	0.9
71.01266	1.8
73.03607	1.0
87.73623	1.0
94.46336	1.0
95.04910	1.4
96.95890	0.9
97.06472	1.1
111.08030	6.1
121.10104	10.5
125.09626	6.9
131.14540	1.1
167.14354	1.3
168.17065	1.2
169.12177	1.4
171.10204	3.4
185.11751	11.3
197.11787	18.2
209.11844	1.4
211.13341	65.5
212.13681	3.3
225.14783	1.3
251.16306	1.2
269.04437	1.2
273.18649	1.8
291.19662	100.0
292.19943	9.0
305.83292	1.1
309.20679	17.7
310.21191	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08651	2.0
54.35962	1.7
55.82850	1.7
62.52219	1.6
63.90089	1.8
65.07787	1.7
69.03331	6.1
70.53502	1.9
70.80647	2.2
86.92068	1.7
97.02843	4.4
109.06549	2.1
111.08036	5.1
119.08557	16.1
125.09621	7.5
127.11189	4.2
132.09201	1.8
135.08102	3.4
137.09608	33.2
138.37270	1.8
139.11168	1.9
147.04295	1.8
151.03871	1.9
152.08369	2.1
155.10695	3.8
165.12846	2.8
167.10669	4.5
169.12262	2.1
171.10185	100.0
172.10510	3.9
181.12375	1.8
183.10114	9.3
184.69414	1.9
185.11771	28.2
193.12248	2.7
195.10167	3.2
197.11729	20.8
199.13336	2.7
201.11179	4.4
209.15404	6.1
211.13252	4.1
213.11302	11.6
229.19545	3.6
231.52588	2.0
247.20645	2.8
263.20322	2.8
265.18100	2.5
273.18692	9.5
291.19662	49.4
292.20026	6.0
302.06857	2.1
309.17081	10.7
309.20593	50.2
310.21057	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55857	1.4
58.00483	1.5
61.16299	1.4
69.03334	2.1
70.37910	4.3
70.38256	1.8
71.04932	1.8
72.03613	1.3
86.73701	1.6
88.81371	1.4
109.06422	1.9
111.08038	30.4
127.07520	1.5
127.95207	1.3
128.90724	1.3
133.20906	1.5
147.96031	1.7
151.11214	2.1
169.12245	8.8
181.12161	1.8
197.11763	100.0
198.12096	4.3
199.13322	3.6
211.13249	10.1
213.13623	1.5
227.12816	2.9
259.26306	1.5
263.20178	9.1
273.18616	1.6
291.19644	17.1
307.09439	1.4
309.17307	1.6
309.20712	39.9
310.21115	4.3
323.20172	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70175	1.9
57.03322	2.2
59.01244	12.3
62.74445	1.6
67.01733	2.4
69.03317	3.2
70.84904	2.9
71.01249	4.6
71.04884	2.7
74.00229	1.9
80.02552	8.8
81.03314	5.0
83.04470	2.3
83.04902	29.1
84.02045	10.0
85.02857	1.9
87.13947	1.9
89.02316	2.2
95.04881	2.3
97.02811	2.5
97.06467	3.1
99.00767	2.1
99.08008	7.2
101.02324	3.5
109.06474	4.2
111.08015	3.2
113.02329	2.1
115.07499	4.5
123.04417	2.3
123.08024	1.8
125.09613	3.8
127.11123	6.4
137.09619	49.4
139.07491	2.6
139.11191	9.1
147.06471	2.3
151.03821	3.6
151.07588	11.1
151.11143	5.8
152.08241	8.1
153.09181	8.6
153.12720	1.8
154.09776	1.7
155.10687	45.8
156.10994	3.7
161.94618	2.0
163.11185	1.7
167.10645	5.4
169.12178	2.4
171.08772	2.8
171.10181	44.4
172.10532	2.2
184.07352	2.6
193.12271	27.8
195.13696	2.8
197.11778	9.0
209.11684	5.7
209.15468	10.9
211.13297	7.4
247.20560	7.3
251.16507	2.2
263.20114	7.3
265.18198	2.6
265.21600	6.1
269.04456	6.4
281.21188	2.4
291.19656	100.0
292.19925	8.2
309.16962	17.0
309.20621	79.5
310.21045	6.5
331.81815	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
50.52080	1.0
57.03328	1.9
59.01246	6.7
69.03354	1.2
70.84049	1.9
71.04892	24.3
75.87790	0.9
78.95754	1.8
81.50958	1.0
83.04869	2.3
95.04920	2.9
97.06467	9.1
107.04932	1.2
111.07999	5.5
121.10115	6.0
123.08046	2.1
125.09616	4.1
127.11163	1.3
137.09628	23.8
138.09943	1.7
141.12749	1.8
151.11150	1.3
157.08583	2.4
171.10187	74.4
172.10477	3.8
181.12288	1.7
185.11717	11.9
192.77142	1.1
197.11751	12.0
198.12215	1.2
207.13794	2.0
211.13342	2.4
219.13774	2.3
233.15488	3.1
235.17035	3.4
237.14960	4.3
247.20656	1.7
251.16525	26.6
252.16951	1.2
263.19992	1.2
269.04410	2.1
273.18561	3.4
291.19678	85.4
292.20081	8.2
305.75986	1.1
309.20712	100.0
310.21011	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	3.2
59.01245	6.6
69.03342	1.7
71.01262	1.8
71.04896	1.5
71.22578	1.3
73.02830	1.0
80.02566	1.2
80.75832	0.8
81.03325	3.5
83.01254	7.4
83.04906	4.0
85.02836	1.0
86.44371	0.8
95.04910	2.0
97.02848	1.7
97.06478	4.3
98.03591	1.2
99.00768	1.5
101.02317	1.0
107.35758	0.8
108.01978	0.9
109.06454	1.5
111.08040	2.7
113.05961	0.8
113.09618	0.9
123.04413	3.1
123.08057	3.5
125.05984	1.7
125.09620	10.2
125.73032	0.8
127.11165	1.3
128.44354	0.8
129.09012	0.9
135.08081	1.0
137.09636	2.6
139.11211	10.8
141.09096	1.6
141.12697	1.0
142.02606	1.1
149.09673	1.0
151.03868	1.3
151.07547	3.8
151.11217	1.1
152.08344	2.4
153.12860	0.8
155.10696	1.0
161.09651	1.0
163.11212	6.8
165.12769	16.6
167.10698	6.6
168.11450	1.9
171.10161	2.0
179.10739	1.4
179.38417	0.8
180.11427	1.1
181.12260	3.2
183.13818	2.5
191.10638	2.7
193.12234	2.2
193.15944	5.0
197.11798	4.4
207.10223	1.3
209.11786	51.8
209.15088	4.8
210.12105	3.8
211.13348	1.9
225.11310	1.5
226.12000	0.9
237.80379	0.9
247.20628	13.7
248.21040	2.3
263.20169	1.1
265.17999	1.4
265.21741	4.9
269.04810	1.5
273.18729	4.5
281.21146	1.5
291.19678	100.0
292.19943	9.1
308.40518	1.1
309.11789	1.6
309.17087	9.0
309.20734	39.2
310.21100	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	311.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	71.1
67.27497	5.6
69.31297	31.2
69.31705	7.7
71.01241	38.9
73.02814	31.5
77.15069	6.2
82.41953	4.8
85.02853	15.0
89.02320	75.2
95.01258	7.5
96.56910	5.1
99.00761	100.0
101.02327	16.9
113.02325	27.1
121.44762	5.3
131.03403	16.0
133.02820	5.7
135.04443	7.1
149.02446	5.7
149.04451	38.3
150.03204	13.7
151.03760	7.0
161.02354	6.4
161.04469	7.4
179.03441	10.4
187.61293	5.3
191.05602	18.9
213.94345	6.2
253.05107	13.0
261.55014	6.8
281.04568	12.1
296.06900	6.5
296.64725	6.1
311.09225	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	311.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00426	8.9
59.01256	82.7
71.00832	18.6
71.01257	41.6
73.02805	32.4
85.02830	9.6
89.02325	78.2
99.00758	100.0
101.02300	13.8
113.02293	21.0
117.13830	6.7
120.67404	6.9
131.03418	10.7
149.04436	30.0
161.04485	12.5
191.05505	19.3
307.08984	9.0
311.05695	10.0
311.10114	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	311.0984
Annotation	Vicianose
Peak:m/z	Relative Intensity
57.03315	4.2
59.01253	80.2
60.67922	3.0
61.17103	3.4
63.51364	3.0
69.35429	15.8
69.35847	7.6
71.00890	5.4
71.01254	41.5
72.99189	3.1
73.02821	41.1
85.02836	9.9
87.00783	4.3
89.02316	70.3
89.09490	3.3
95.01288	4.4
96.95887	3.0
99.00758	100.0
101.02341	16.6
106.00906	3.4
113.02343	26.1
119.03411	3.4
131.03371	17.1
149.04433	43.9
161.04483	14.9
191.05534	29.9
245.78737	3.4
311.22327	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	311.1137
Annotation	(Z)-4-Hydroxy-cinnamyl alcohol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.03611	0.2
59.01249	1.9
62.59896	0.2
68.46407	0.2
69.20505	0.5
69.20924	0.9
71.01244	0.5
72.99203	0.2
73.02805	0.3
75.00743	0.2
85.02821	0.2
89.02322	0.3
98.19833	0.4
99.00755	0.5
101.02300	0.3
108.02068	0.3
113.02354	0.4
119.04868	0.2
122.03620	1.0
123.08151	0.2
131.04924	0.3
135.04369	0.4
147.04430	1.0
148.05203	2.0
149.05986	100.0
150.06320	3.9
155.15057	0.2
156.10732	0.2
159.98260	0.1
179.03365	0.2
251.11345	0.4
267.12488	0.2
269.04529	0.7
270.04947	0.7
311.11304	0.7
311.22040	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31752	1.3
51.51022	1.7
59.01252	100.0
59.87780	1.4
69.11619	1.4
71.01259	9.2
71.40992	1.6
73.02811	2.6
85.02815	3.2
87.78692	1.3
89.02331	1.8
100.74863	1.3
100.81968	1.5
101.02333	8.0
113.02325	5.5
146.24310	1.6
161.04468	10.4
189.15334	1.4
222.20242	1.4
224.99907	1.4
251.11394	14.6
276.72037	1.4
311.29575	1.8
314.25558	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	311.2228
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
55.02045	0.7
57.03319	2.8
57.53688	0.5
59.01252	16.1
63.48677	0.6
69.03332	0.7
71.01254	1.4
71.04911	0.9
81.41762	0.6
85.02804	1.0
89.02307	0.9
97.06463	1.1
97.45538	0.5
99.08015	1.6
101.02330	2.1
109.06446	0.6
111.08042	1.6
113.02347	1.0
113.09605	5.3
114.09931	0.7
121.10100	1.9
125.09608	2.0
127.11172	3.0
129.09109	0.9
135.70471	0.6
137.09567	1.3
139.11182	25.1
140.11517	1.2
153.09071	1.0
153.12701	0.8
155.10667	2.4
157.08594	1.2
161.04515	0.9
165.12910	0.8
167.10742	1.0
171.10179	48.6
172.10469	2.2
183.10210	1.0
183.13858	1.7
185.11768	5.1
193.12334	1.0
195.13806	1.1
199.13275	3.3
201.11256	3.7
211.13383	5.8
215.45578	0.7
249.22372	1.0
251.11282	1.3
275.20074	2.8
293.21225	30.4
294.21637	3.4
311.22272	100.0
312.22656	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	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.24824	0.7
59.01250	13.5
63.41905	0.8
71.01263	1.7
74.78963	0.7
101.02333	0.8
113.09621	0.7
114.42827	0.7
117.59641	0.7
144.97540	0.7
161.04442	1.4
183.01128	2.6
197.02740	2.1
229.41696	1.0
242.90675	0.7
249.22217	42.0
250.22516	3.1
251.11241	1.6
267.23300	1.7
293.21225	24.0
294.21591	1.7
311.17068	8.5
311.22275	100.0
311.29572	2.4
312.22629	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03320	2.0
59.01245	14.0
64.45810	0.9
71.01247	2.2
71.36100	0.9
71.36435	0.9
83.04881	1.5
85.02831	1.1
99.08030	2.9
101.02353	1.6
111.08043	3.4
113.09627	5.6
115.08961	0.9
119.08980	0.8
127.07552	1.1
129.09100	5.3
135.11684	4.1
149.82602	0.8
151.11227	1.7
153.12755	38.1
154.13116	1.8
157.08609	76.0
158.08916	4.0
161.04419	1.2
169.12294	1.7
171.10152	1.3
181.12273	6.5
183.13783	1.5
187.09669	10.0
193.12337	1.2
197.11731	6.4
199.13324	3.7
211.13356	14.8
213.14932	7.5
221.49480	0.9
221.84839	0.9
251.11375	1.9
275.20184	11.4
293.21240	31.1
294.21573	2.5
311.22272	100.0
312.22549	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
51.17135	0.9
53.11290	0.9
57.03316	2.1
59.01238	4.8
65.32106	1.1
69.03326	1.3
69.51724	6.0
83.04908	2.2
87.09626	0.9
97.02817	1.4
97.69030	1.0
98.19743	1.5
99.08027	3.4
113.09589	3.4
125.09591	1.5
129.09109	6.8
139.11153	3.1
143.31345	1.2
144.62291	0.9
153.12727	1.1
163.11166	1.1
169.12239	3.1
171.10175	11.0
181.12317	5.0
183.13788	2.9
193.12254	5.6
195.13809	1.0
197.11746	12.0
199.13345	5.2
209.11816	1.8
211.13344	22.9
228.03094	1.1
249.22162	1.2
275.20190	2.6
293.21210	24.6
294.21509	2.2
311.22256	100.0
312.22528	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	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.53913	0.8
57.03320	2.5
58.94411	0.7
59.01258	6.4
69.03318	1.0
82.77477	0.7
94.58591	0.7
99.08054	4.5
113.09602	3.4
121.10155	0.7
121.96924	0.7
127.07559	0.9
129.09117	9.1
137.09691	0.8
139.11191	2.2
148.41032	0.8
151.11174	1.6
153.09094	0.8
153.12842	1.7
155.10690	0.9
160.62767	0.7
169.12224	2.4
171.10178	9.4
181.12302	7.4
183.10251	1.4
183.13834	2.8
185.11720	1.5
193.12306	3.4
197.11752	12.8
199.13371	5.3
201.11278	2.2
211.13332	20.6
247.42470	0.7
249.22356	0.7
251.11299	0.9
255.95331	0.8
265.21606	1.2
275.20193	1.8
293.21191	18.1
294.21466	1.1
300.26529	0.7
311.22290	100.0
312.22644	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	313.0718
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01249	1.0
71.01251	0.6
71.37524	0.2
77.03831	0.3
89.02329	0.5
93.03259	0.2
94.12202	0.2
101.02314	0.3
119.03408	0.4
121.02844	100.0
121.56260	0.2
122.03170	2.9
123.68884	0.2
180.05771	0.9
181.06511	4.3
210.28575	0.2
225.05530	6.5
226.05797	0.5
259.92114	0.2
269.08194	0.4
312.22498	0.4
313.07172	13.6
313.23724	0.8
314.07431	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2383
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
56.75112	0.5
59.01251	100.0
59.26871	0.4
60.01593	1.0
69.70893	0.5
71.01271	0.6
71.23001	0.8
89.02332	1.4
101.02335	0.8
107.99216	0.5
113.02375	0.9
179.05647	0.5
181.18146	0.5
191.88963	0.5
225.22278	1.1
253.21747	5.9
254.22081	0.6
271.22775	40.7
272.23138	4.2
313.11240	1.0
313.23859	14.8
313.27325	0.8
314.24219	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2384
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
59.01241	2.3
60.13825	0.3
61.71619	0.3
71.01242	1.3
89.02354	0.7
89.39872	0.4
97.06415	0.4
101.02290	0.7
114.67936	0.3
121.02805	0.4
125.09628	0.8
127.11160	1.2
131.86662	0.4
139.11142	1.1
145.02898	0.5
151.05977	0.5
153.09134	0.4
155.10684	2.6
171.10184	4.7
199.13315	1.4
253.09177	0.7
267.23328	0.4
271.19113	0.4
277.21634	0.6
295.22800	7.1
296.23251	0.9
311.22321	0.7
313.23837	100.0
314.24176	7.8
314.27557	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2384
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
57.03304	0.9
59.01236	2.2
61.00924	0.4
69.94859	0.4
70.80292	0.7
70.80627	0.7
71.01237	1.8
89.02325	1.4
101.02314	0.8
113.02312	0.7
121.02893	0.6
126.59219	0.4
168.11935	0.4
178.91096	0.4
179.05539	0.8
184.01563	0.6
185.00584	3.4
189.05623	0.4
223.20911	0.5
249.22079	0.5
251.23782	68.5
252.24103	6.3
269.24890	1.2
295.22784	27.9
296.23224	2.3
313.11426	1.2
313.16544	6.5
313.23849	100.0
314.16861	0.7
314.20862	0.4
314.24185	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	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
57.20806	1.0
69.88542	5.3
71.01257	2.8
79.46043	1.1
81.03323	1.5
85.02821	3.3
95.01296	2.4
98.19955	1.6
101.02332	3.0
108.02057	100.0
109.02863	29.7
123.00710	2.1
133.02863	1.6
135.04387	1.6
151.03853	1.7
151.59813	1.1
152.01062	77.3
153.01842	31.3
153.05449	1.6
165.01825	1.9
166.98914	1.2
219.75449	1.2
315.07224	66.7
315.16058	1.8
316.07486	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	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01250	1.2
60.37925	0.7
67.66534	0.7
71.01251	3.1
73.02818	0.9
85.02812	2.7
90.82719	0.8
95.01275	1.8
101.02306	1.4
106.07185	0.8
108.02050	75.4
109.02850	32.0
113.02323	1.1
120.48463	0.7
121.02810	1.3
123.00797	1.1
123.04398	1.5
135.00763	1.0
151.03947	1.9
152.01054	70.8
153.01834	39.5
153.05362	1.4
154.02106	2.0
163.03973	1.5
165.01831	1.9
186.86955	0.8
273.15701	0.8
315.07205	100.0
316.07562	6.0
319.88034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	9.9
59.01242	1.4
69.15981	4.1
69.16409	2.8
69.46291	0.8
72.00776	5.9
73.48953	0.7
77.52045	0.7
82.06488	2.4
86.07591	0.7
91.05399	11.5
96.03159	0.8
99.30436	0.8
103.04647	0.7
103.81388	0.7
112.07545	5.0
118.06522	3.4
126.09120	2.0
129.10234	83.7
130.10580	3.0
135.04367	1.1
147.04416	29.1
148.04703	1.3
153.10214	3.6
154.08652	12.6
164.07086	74.0
165.07397	3.1
171.11311	61.9
172.11618	2.7
192.33963	0.7
216.13910	1.9
233.16556	40.0
234.16888	3.2
247.94188	0.8
275.17654	8.0
276.17697	0.8
277.15552	2.6
319.16617	100.0
320.16980	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	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01731	1.5
58.00463	3.8
59.01252	80.1
71.01253	51.1
71.47260	2.9
72.99178	6.2
73.02809	2.7
81.50383	1.3
83.01266	1.8
85.02822	11.7
87.00758	3.1
89.02320	44.5
92.58414	1.2
95.01254	4.4
95.81963	1.4
99.00774	2.3
101.02330	37.9
113.02325	20.9
119.02581	2.8
119.03386	28.2
130.03494	1.5
132.20554	1.3
141.09105	17.1
149.04448	1.9
159.10141	5.6
179.05551	2.9
179.71228	1.5
191.75352	1.4
321.15555	100.0
322.15741	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	322.2023
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
57.49346	0.2
58.02850	1.9
59.01259	1.4
66.13059	0.2
71.01260	0.6
81.03330	0.7
85.02837	0.2
86.45367	0.2
95.04910	1.0
97.06468	0.3
106.86933	0.2
109.06487	0.6
128.10710	6.9
129.11082	0.3
130.08638	100.0
131.08977	3.3
158.75578	0.2
161.04445	0.2
165.12775	0.8
172.09726	0.3
206.51312	0.2
278.21237	0.2
322.20233	32.4
323.20572	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	323.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.3
59.01252	13.4
62.43328	1.2
69.82022	4.9
69.82442	2.9
71.01248	6.6
73.02811	1.8
75.00745	2.0
85.02828	3.8
89.02320	1.9
98.19819	1.5
99.00753	3.8
99.04373	1.4
101.02302	4.5
113.02317	2.3
118.02846	1.7
132.04471	3.1
133.02847	1.5
133.83983	1.4
134.02361	2.5
135.04390	2.2
144.04451	27.9
145.03957	15.4
146.02380	6.2
148.02809	1.8
148.03960	3.3
159.01895	2.1
160.03961	20.6
161.03406	11.8
161.04298	1.7
168.04472	21.9
169.03969	1.6
175.05000	3.1
180.08080	2.4
184.06067	1.5
186.22459	1.3
195.05542	12.1
196.07562	1.5
202.32599	1.2
209.07185	2.5
210.05550	3.2
223.05016	16.4
224.07182	1.5
233.07111	2.2
234.05516	1.8
235.04930	3.0
236.05751	1.7
250.03856	1.6
251.04593	85.3
251.08243	10.7
252.04745	4.6
252.07002	7.8
261.06711	10.7
262.05051	5.3
263.05121	4.2
264.05396	33.2
265.05811	2.6
278.43494	1.3
279.07745	100.0
280.08072	8.4
294.65396	1.5
323.06689	6.2
323.15161	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	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05049	0.8
55.01743	1.4
57.03320	1.3
58.00470	4.8
58.09771	0.7
59.01253	100.0
60.01567	1.4
71.01254	57.2
72.99177	4.8
73.02823	1.5
73.26157	0.8
74.85705	0.8
83.01258	3.0
85.02820	11.5
87.00746	2.7
89.02319	62.0
90.02644	0.9
95.01267	4.5
95.79311	0.8
98.17334	0.8
98.20583	1.5
99.00739	0.9
101.02325	38.3
111.48373	0.7
112.98704	1.3
113.02335	21.5
113.99477	0.9
114.02631	1.3
119.03394	31.5
131.03391	1.8
143.03421	2.3
143.07019	1.3
145.64972	0.8
149.04439	1.8
161.04457	3.2
161.08047	1.7
179.03429	0.8
179.05508	4.9
183.27858	0.8
194.05824	1.5
201.53421	0.8
209.08142	2.9
215.78111	0.8
294.64182	0.8
323.13467	95.2
324.13901	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	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
70.98864	3.0
71.01238	7.3
85.02832	2.9
89.02319	4.2
99.20575	1.6
101.02318	5.9
101.05956	1.9
109.54469	1.4
113.02327	5.5
161.04370	3.3
162.50684	1.6
243.29680	1.4
243.32417	1.6
250.80714	1.5
263.11371	3.1
271.48782	1.6
323.09647	2.0
323.13394	4.3
346.09134	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00462	3.5
58.02838	0.9
58.21404	0.9
59.01251	100.0
63.35310	0.8
64.10270	0.9
71.01254	57.6
72.99181	4.5
73.02847	1.7
83.01250	1.9
85.02826	12.8
87.00736	1.3
89.02319	52.5
95.01259	4.2
101.02323	32.6
113.02328	20.8
119.03394	25.6
120.54871	1.0
131.03406	2.3
143.03432	1.7
143.07050	1.1
149.04407	1.3
161.04478	3.4
161.08148	2.2
179.05533	3.5
209.08069	1.4
223.45740	0.9
306.95087	1.0
323.13470	75.1
324.13776	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	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18491	0.8
55.01752	2.1
57.03323	2.2
58.00463	3.7
59.01250	89.5
59.79922	0.9
71.01254	57.7
71.22009	1.7
72.99179	6.0
73.02821	3.5
79.40002	1.1
83.01255	2.5
85.02834	11.6
87.00760	2.7
89.02317	55.8
95.01265	3.8
101.02319	43.0
102.02628	1.1
102.48775	1.0
113.01550	1.5
113.02328	24.0
119.03387	26.1
122.60899	0.9
131.03423	1.8
136.43587	1.0
143.03427	4.8
148.29411	1.1
161.04482	6.3
161.08105	1.9
161.11816	1.6
179.05573	3.3
209.08144	2.7
278.58615	0.9
291.87613	1.0
323.13470	100.0
323.16760	4.3
324.13904	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	323.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01576	1.2
61.98700	0.7
69.43077	1.2
69.43483	2.2
71.01267	3.8
73.02840	1.1
80.89909	0.6
83.01259	1.0
85.02831	1.7
89.02341	1.3
92.16323	0.5
96.95875	0.9
98.20534	1.1
99.00789	0.8
101.02332	1.7
113.02349	1.6
161.04501	1.9
179.03558	0.8
263.15103	2.5
323.18906	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65597	3.2
55.01754	4.5
57.03311	13.0
59.00956	4.6
59.01247	85.6
61.89867	2.7
68.23730	2.9
69.03317	4.0
69.79246	15.2
71.01250	26.1
71.04884	18.9
73.02826	5.5
80.02512	4.6
81.03321	12.3
83.01254	19.0
83.04895	10.6
85.02821	19.7
87.00748	4.8
89.02308	12.6
93.03327	6.5
95.01241	5.3
95.04889	48.3
96.95893	12.8
97.02807	4.5
97.06490	16.7
99.04367	7.5
99.88580	3.7
101.02295	15.4
109.06461	6.5
111.08076	3.8
113.02330	21.7
113.05986	9.4
121.02815	3.1
121.06494	3.9
123.04390	6.4
123.08030	10.6
125.06017	4.3
125.09594	38.0
130.08594	14.2
131.08957	8.4
135.08035	20.4
143.03427	5.6
149.09592	8.2
153.09042	3.9
161.04442	14.5
161.05684	2.9
163.11168	7.9
163.23999	3.4
165.12740	5.5
167.10657	6.0
171.10173	7.5
171.63391	3.5
179.05516	4.2
179.13826	2.9
185.11711	29.2
189.12753	4.1
191.10635	9.1
201.25217	3.0
203.14272	10.3
207.10208	3.4
207.13872	4.3
209.11771	100.0
210.12048	3.0
211.13416	5.6
221.11751	6.7
223.13359	5.0
235.13332	4.5
237.14972	7.1
243.17458	4.8
247.13364	8.9
249.14891	5.6
265.14389	32.4
287.16574	9.3
300.21738	3.5
305.17642	33.9
318.01837	3.4
323.09857	17.7
323.15659	4.1
323.18561	86.3
323.21921	7.2
324.18948	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	323.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	4.1
57.03332	12.5
59.01253	70.6
60.01595	2.2
69.03329	6.9
71.01251	20.7
71.04890	14.0
71.51292	2.6
72.99193	2.9
73.02829	3.8
81.03333	7.7
83.01254	20.5
83.04913	10.8
84.02029	3.6
85.02805	13.5
86.21577	2.1
87.00748	4.3
89.02309	11.5
93.03356	5.0
95.04903	33.8
96.95928	4.2
97.02806	4.2
97.06464	15.7
99.04397	4.6
101.02324	8.2
109.02870	2.9
109.06504	11.2
109.70490	2.3
111.04401	3.5
111.08064	2.5
113.02345	9.9
113.05974	9.6
119.03404	3.9
120.05701	3.2
123.04385	6.6
123.08063	7.9
125.05984	6.4
125.09612	25.6
135.08055	18.7
137.09682	3.4
141.12785	2.5
143.03438	2.4
149.09584	4.3
153.09172	3.0
161.04449	8.9
161.05652	2.3
161.09650	2.7
163.11168	10.1
165.12737	5.8
167.10680	3.0
177.12801	3.5
181.12238	3.7
185.11743	25.7
189.12830	5.2
191.10710	8.2
203.14409	5.7
207.10283	4.2
209.11786	100.0
210.12228	3.1
211.13297	5.8
221.11725	4.5
233.11842	2.3
237.14937	30.6
243.17407	4.7
247.13371	6.2
249.15042	5.2
263.11365	3.1
263.41815	2.3
265.14343	18.5
279.19629	2.5
287.16492	14.9
305.17606	25.9
306.17923	3.4
323.09778	7.2
323.18604	34.4
324.18753	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	323.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36921	0.5
52.79862	0.4
54.31924	0.5
57.03318	0.5
59.01254	12.5
69.28297	2.6
69.28722	1.6
69.68015	0.5
71.01250	3.7
74.68839	0.6
79.78332	0.5
80.41250	0.5
83.01285	0.6
85.02816	1.3
89.02297	2.1
97.06429	0.5
98.20561	1.0
101.02325	1.9
109.02869	0.5
113.02329	2.3
119.03388	0.5
123.04385	0.8
137.09615	0.8
139.11166	0.6
161.04446	1.4
165.09087	2.2
165.12726	2.3
179.10582	0.5
181.12387	0.5
189.12785	0.7
191.14369	0.9
193.12131	0.6
193.15936	0.8
198.08711	0.5
207.13809	0.7
261.22198	4.5
279.23312	0.9
287.19955	0.8
291.19614	3.1
305.21222	100.0
306.21582	7.9
323.09821	1.8
323.18802	1.2
323.22266	26.3
324.22736	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	323.2227
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
53.26294	1.8
57.03307	4.2
59.01252	60.3
61.80598	1.7
71.01261	17.3
71.04882	5.0
71.51714	2.1
81.03339	2.7
81.30087	1.9
83.04883	2.2
85.02845	9.5
87.00762	6.0
89.02315	10.2
96.95892	2.4
97.02811	2.7
97.06532	2.8
101.02317	4.5
111.08064	4.8
113.02332	11.9
119.03435	2.1
119.08538	3.2
121.10114	8.0
125.09612	5.3
137.09601	10.7
140.43747	2.1
143.03357	2.0
149.09569	4.2
161.04491	6.0
171.10135	13.3
177.12805	3.6
178.21420	2.0
184.60580	1.8
185.11783	10.9
195.13821	4.9
217.15889	3.3
221.11755	4.7
225.14938	6.8
239.39923	2.0
247.20714	2.1
249.62866	1.9
253.14426	4.6
263.11258	2.2
273.18686	7.4
291.19666	79.5
292.20081	7.5
305.21252	22.5
306.21494	2.2
320.31277	2.5
323.09717	6.3
323.22275	100.0
324.22607	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	323.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69012	1.7
57.03319	2.5
59.01250	23.7
69.03309	3.6
69.79194	8.3
71.01244	5.6
83.04883	2.1
85.02818	4.0
87.00771	1.8
89.02337	3.1
101.02335	3.5
111.08027	4.4
113.02299	4.2
125.09665	4.0
137.09604	2.0
149.09590	2.1
151.11163	2.4
161.04459	3.0
165.09106	1.7
169.12309	2.9
171.10141	5.3
181.12250	6.9
187.30128	1.7
193.12288	2.0
197.11758	34.7
198.12097	3.6
209.11923	1.9
213.14854	7.5
220.14644	4.1
221.11742	1.7
225.14839	3.3
230.16922	1.6
237.12123	1.7
239.12917	4.2
241.14467	2.5
247.20618	3.7
273.18555	7.7
275.24597	1.8
291.19684	39.5
292.19806	2.2
298.73734	1.9
299.21979	1.9
305.21231	8.0
308.19836	4.1
323.09714	4.1
323.22275	100.0
324.22525	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	325.0717
Annotation	Demethoxykanugin
Peak:m/z	Relative Intensity
59.01246	4.9
62.25425	0.6
63.02266	1.7
65.00195	9.9
65.03829	1.3
68.99673	1.9
69.03324	1.0
71.01250	0.9
73.02802	0.8
77.78246	0.6
78.40835	0.5
79.01772	0.8
89.02309	0.6
89.03824	1.9
91.01769	100.0
92.02103	2.2
93.03337	24.1
94.03654	0.8
95.01246	1.8
95.04916	0.9
96.95874	2.3
97.02802	0.7
97.06487	0.6
101.02322	1.2
102.91016	0.5
107.04919	0.9
108.02055	6.5
109.02837	32.5
110.03175	0.6
113.02312	0.6
117.03345	9.7
119.01258	0.9
119.04916	43.6
120.05253	1.2
121.02841	23.1
123.00764	1.4
130.04002	0.6
131.04881	0.7
132.02055	1.4
133.02820	3.1
134.03615	0.8
135.04404	1.4
145.02859	23.9
146.03505	1.7
147.04416	30.1
148.04736	1.2
149.02383	1.1
159.04491	0.5
160.01596	1.1
161.02361	2.2
163.03899	2.3
163.05983	0.9
165.01834	12.1
171.10129	0.9
173.02455	1.0
175.03923	44.6
176.04372	2.0
178.02637	1.4
189.01863	1.1
190.02647	0.8
191.03389	1.0
193.06860	1.8
195.08205	0.7
197.05988	1.2
197.11702	1.5
209.05978	1.7
209.11713	2.0
210.06757	0.6
211.07538	1.5
219.02870	1.1
221.06041	1.3
222.06870	0.9
223.04031	0.8
223.07674	1.0
224.04713	1.4
225.05479	0.7
230.49623	0.6
233.05988	0.7
237.05489	3.0
237.15001	0.9
238.06194	0.9
239.07124	4.5
249.05521	1.4
249.14821	0.7
251.06992	2.1
265.05026	0.8
267.06619	33.9
268.07004	3.2
269.08215	1.3
277.05151	0.7
279.06519	1.2
289.18057	0.7
295.06116	2.9
296.06885	1.2
297.07660	23.7
298.08011	2.0
307.19083	1.9
323.05566	1.3
325.07166	57.1
325.20303	3.1
326.07523	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	325.093
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
59.01254	2.4
71.01258	1.7
71.21830	0.6
72.99168	0.7
73.12939	0.4
85.02827	1.3
87.00746	0.4
87.82754	0.4
93.03353	0.6
99.00781	0.6
101.02319	0.5
109.46726	0.4
113.02350	1.4
117.03403	1.0
119.04917	100.0
120.05254	4.6
145.02869	5.2
163.03920	80.5
164.04245	5.0
187.04039	0.7
213.62970	0.4
284.03259	1.7
299.05588	1.6
300.05920	0.5
301.03436	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55076	1.9
59.01250	100.0
66.43140	1.5
71.01251	7.1
71.08607	2.6
73.02814	3.4
89.02348	2.0
101.02325	5.3
113.02384	1.9
119.04926	3.4
144.53903	1.6
147.01889	1.6
163.06091	3.0
181.80081	1.7
191.59677	1.6
193.07071	1.8
265.12924	5.1
325.11151	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
55.01739	1.7
57.03325	9.7
58.95574	1.5
59.01251	30.1
65.00211	2.7
69.03333	6.4
71.01261	8.1
71.04889	8.5
72.48515	1.8
73.02814	4.3
79.05408	2.5
81.03350	2.3
83.01250	2.1
83.04895	11.4
84.02052	2.4
85.02833	6.5
85.06470	6.3
87.04417	2.5
89.02331	2.3
91.01771	25.2
93.03312	9.7
95.04897	9.4
96.95880	3.5
97.02831	6.8
97.06464	15.9
101.02316	5.0
106.04121	3.1
107.04931	3.0
109.02822	9.0
109.06483	12.0
111.04410	4.0
113.02348	3.4
115.07545	2.8
119.04912	11.1
121.02851	4.1
121.06452	3.3
123.04419	2.3
123.08057	6.3
125.09614	5.6
130.08649	1.9
135.08012	4.3
137.09605	3.1
145.02844	6.1
147.04396	6.5
151.11211	2.4
153.09056	4.1
163.05998	4.6
163.11203	4.7
165.01857	5.4
165.12849	2.4
171.10185	30.4
175.03897	8.2
181.12222	3.8
185.11696	8.4
191.14323	3.3
193.07133	6.8
193.12221	8.8
197.11743	18.3
199.13312	2.1
205.15804	3.4
207.10136	2.6
209.11768	24.7
211.13347	18.7
221.15645	1.9
223.13345	3.1
225.32927	1.7
227.12881	2.6
231.13937	1.9
235.13387	2.6
237.14961	13.2
245.19054	7.9
249.14967	18.0
267.06656	6.8
267.16058	7.0
271.16998	2.2
289.18127	18.6
297.07684	4.6
307.19202	19.1
325.07169	12.5
325.11490	5.8
325.17160	5.2
325.20218	100.0
326.20541	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2022
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03327	10.6
59.01250	24.4
65.00181	3.5
69.03325	4.6
71.01252	8.3
71.04897	9.1
71.30809	2.0
73.02805	2.5
80.02544	2.7
83.04881	5.8
85.02818	3.9
85.06449	2.6
87.04392	2.9
89.02320	2.0
91.01773	24.5
91.43816	1.5
93.03344	8.5
95.04906	3.1
96.95899	2.3
97.02834	5.4
97.06470	5.8
101.02323	6.4
107.04913	2.8
107.33665	1.3
109.02840	7.9
109.06477	32.5
111.08062	2.6
113.02321	1.7
116.21807	1.4
117.03345	3.3
119.04936	15.0
121.02838	8.7
123.08035	2.2
125.05975	3.3
125.09647	1.5
127.07571	3.8
133.02794	1.8
135.04439	1.7
145.02843	6.4
145.63501	1.4
147.04434	10.0
151.11156	3.2
152.99411	1.3
153.09143	1.5
153.12685	1.4
155.28923	1.2
160.87552	1.4
163.06088	3.0
165.01828	2.8
167.10742	3.2
169.12306	9.1
171.10185	2.8
175.03986	13.4
181.12280	4.9
183.13809	3.0
193.07083	4.1
193.12381	2.9
195.13844	1.7
197.11777	51.3
198.12114	2.3
199.13348	4.4
201.11243	6.5
209.11713	1.8
211.13344	36.2
212.13707	2.7
213.11298	3.7
219.13817	2.9
227.12880	3.4
231.13896	1.6
235.13307	6.0
235.48373	1.8
237.14938	24.7
238.15216	1.6
249.15002	3.6
267.06616	11.8
289.18140	19.6
290.18060	1.6
295.06354	1.4
297.07764	7.9
307.19205	9.1
325.07156	15.6
325.11096	2.4
325.17337	4.1
325.20193	100.0
326.20432	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2172
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
52.37345	0.8
59.01252	7.6
69.80324	3.3
89.02331	1.2
101.02338	1.3
113.02328	1.3
115.80711	0.9
134.04604	1.1
149.09624	89.9
150.09987	4.8
163.11198	99.1
164.11578	6.1
183.01135	21.7
184.01727	1.3
197.02693	1.5
265.25266	1.2
307.26270	1.4
325.18350	37.1
325.21738	100.0
325.27130	5.0
326.18649	4.3
326.22076	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	327.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22522	2.8
57.03313	3.3
57.31086	2.8
58.00463	3.6
58.12753	2.3
59.01249	99.4
67.37923	2.9
68.15093	3.1
70.58703	6.3
70.59030	3.1
71.01252	100.0
72.99178	16.4
73.02818	11.3
75.00735	14.5
83.01260	3.3
85.02818	18.1
87.00748	22.9
89.02312	69.5
98.19837	2.8
99.00780	3.2
101.02319	41.8
113.02319	24.4
115.00243	8.9
119.03403	32.8
129.01776	7.6
131.03355	3.3
147.02895	20.0
147.06544	3.1
148.69290	2.7
150.03081	3.5
153.09459	3.2
154.39548	2.8
161.04462	7.0
165.05437	3.9
165.07590	34.9
179.05521	16.2
215.13950	2.8
267.10712	6.0
293.18942	2.9
317.14273	2.8
327.09195	24.3
327.12900	39.9
327.21719	7.1
328.13406	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00458	2.5
58.76654	0.9
59.00961	1.9
59.01251	38.3
62.43756	1.1
64.29044	1.0
69.56232	4.6
69.56641	2.0
71.01257	23.2
72.85146	1.2
72.99203	5.4
77.89456	1.1
83.01241	1.1
85.02840	5.4
85.35154	1.0
87.00756	1.2
89.02316	18.0
95.01311	1.4
101.02325	15.5
113.02349	9.6
119.03384	6.1
119.04894	4.6
130.87675	1.1
147.04422	100.0
148.04744	5.7
165.05460	17.1
177.99823	1.2
179.32961	1.1
191.07133	1.1
202.48402	1.1
243.99066	1.2
275.15109	1.2
297.33200	1.2
327.10818	44.4
328.11090	3.6
333.63443	1.2
347.74741	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73204	0.9
58.00472	1.2
59.01251	53.5
71.01254	27.4
71.38258	1.3
72.99171	4.0
83.01266	1.5
85.02827	6.3
85.89848	0.8
86.29456	0.9
89.02320	18.4
95.01236	2.1
101.02321	13.5
113.02332	8.5
119.03414	8.1
119.04853	7.2
139.88855	1.0
147.04419	100.0
148.04758	3.5
165.05479	14.6
168.64323	1.0
179.05553	1.2
208.63467	0.9
264.59290	1.1
327.10834	43.0
328.11221	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	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.9
57.03328	4.0
57.03562	0.8
59.01245	0.7
61.15742	0.7
68.39114	0.8
69.03315	3.3
70.93051	0.7
71.01260	1.5
72.39066	0.7
73.02834	0.8
73.30209	0.9
76.53274	0.8
83.04878	1.0
85.02821	10.3
86.27478	0.6
95.04903	0.8
97.02845	1.6
97.06467	4.9
98.19790	1.7
99.20361	0.7
110.03559	0.9
120.56825	0.8
125.05929	0.8
125.09580	1.5
127.11192	2.3
137.09615	3.0
155.10651	1.8
165.12773	1.0
171.08760	1.6
171.10188	26.3
172.10512	1.2
183.13846	5.3
185.11766	1.8
193.12349	1.3
197.11807	1.0
201.11285	0.9
209.11769	1.2
211.13359	19.7
212.13733	0.9
221.11809	2.5
229.14410	14.4
239.12869	2.0
291.19629	3.2
309.20685	2.0
327.21765	100.0
328.22040	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
53.84079	0.6
57.03326	0.9
58.00462	1.8
59.01247	7.3
69.03345	0.7
69.30981	4.1
71.01245	1.2
80.17794	0.6
83.04900	1.3
85.02853	0.8
86.52397	0.6
92.96024	0.7
97.02812	0.7
97.06470	2.6
111.08038	8.8
123.59010	0.7
125.09634	1.4
127.07529	1.3
127.22067	0.6
137.09608	2.0
147.29544	0.6
153.12752	1.3
169.12254	6.0
171.10185	9.1
172.10536	0.8
181.12234	2.0
183.13837	1.0
193.12195	0.8
197.11766	42.8
198.12064	2.9
199.13345	8.5
201.11229	2.6
209.11838	0.6
211.13350	4.9
221.11899	0.7
227.12791	1.4
229.14502	2.2
255.11710	1.1
263.20276	1.0
291.19592	3.4
309.20605	3.8
327.21756	100.0
328.22122	9.1
348.86841	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03315	1.8
59.01243	1.3
61.98670	0.6
68.32738	0.4
69.03336	0.7
71.01257	1.5
77.02887	0.5
83.04894	1.4
85.02829	4.3
87.30366	0.4
89.02314	0.5
95.04901	1.1
97.06474	6.3
98.20538	1.4
110.03603	0.7
111.08026	0.5
123.08080	0.9
125.09580	1.2
127.11192	1.8
130.10817	0.5
137.09598	0.5
141.12689	0.4
155.10655	1.6
165.05392	0.5
165.12749	2.0
167.10727	0.5
167.14359	1.3
171.10194	8.7
177.09106	0.5
177.12798	1.4
181.12294	0.5
183.13828	4.9
185.11794	2.3
193.12315	1.5
195.13901	0.6
197.11830	0.7
199.13414	0.6
203.10738	1.1
209.11772	2.6
211.13335	27.6
212.13702	1.7
221.11777	4.8
224.11165	0.5
229.14415	16.7
230.14745	1.1
239.12852	2.5
247.17290	0.4
247.20592	0.5
291.19647	4.8
309.20746	2.8
327.01544	3.4
327.21759	100.0
328.02243	0.7
328.22076	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	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03325	2.4
69.03310	1.2
70.99600	0.7
71.01249	0.5
72.02512	0.4
85.02821	8.7
95.04902	0.9
97.02813	0.8
97.06470	4.1
97.49982	0.4
105.08603	0.4
106.99877	0.4
119.08521	0.6
125.09643	0.8
127.11150	1.5
137.09607	2.4
154.10637	0.5
155.10718	0.8
158.77679	0.4
165.12752	0.7
167.14314	0.9
171.10184	20.9
172.10466	1.0
181.12196	0.6
183.13852	3.6
185.11748	1.2
188.13622	0.5
193.12245	1.1
201.11266	1.2
209.11766	1.8
211.13332	17.5
212.13713	1.3
221.11696	2.7
229.14417	12.0
229.16742	0.4
230.14667	0.5
239.12842	1.8
259.74588	0.5
291.19635	3.4
309.20691	1.0
327.21753	100.0
328.22122	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	327.2904
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
55.06009	1.1
59.01251	100.0
67.46554	1.5
68.73042	1.3
71.53201	1.3
75.00735	1.8
79.04105	1.3
95.96239	1.2
98.19777	2.9
122.66586	1.2
133.24664	1.2
185.00714	2.0
201.42049	1.3
229.18260	1.5
271.03949	1.3
293.56998	1.4
308.26001	1.5
327.18301	7.8
327.29034	61.9
328.29379	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	327.2904
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
54.21603	0.9
59.01233	2.5
61.69628	0.9
62.53608	0.9
69.80321	3.6
78.47608	0.8
89.02284	1.2
98.19850	1.1
154.33432	0.9
176.85254	1.1
185.00735	2.0
185.99855	1.0
267.26874	1.7
327.18576	4.4
327.29034	100.0
328.29388	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	329.1143
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
59.01251	2.7
61.35826	1.5
70.17594	3.3
82.02867	8.2
87.12855	1.5
102.36653	1.6
104.75288	1.4
104.76194	1.5
106.06496	7.0
108.04433	2.1
110.02364	1.9
117.17813	1.6
127.00187	2.1
132.04445	27.4
133.05252	1.7
134.06009	32.6
135.06354	1.6
136.03969	3.2
149.04726	3.9
160.03940	21.6
160.05170	3.1
161.04742	42.6
161.22302	2.1
162.05525	94.6
163.05867	2.7
165.71431	2.0
176.03421	2.6
193.03754	63.3
194.04147	1.8
212.07085	3.4
213.07954	2.3
214.08612	3.2
226.08835	2.6
238.24188	1.6
241.06145	7.1
242.11801	5.6
243.11349	3.1
257.09277	9.2
268.09839	4.5
269.09363	7.6
285.09784	1.7
285.12439	84.2
286.12698	7.8
311.10349	12.8
329.11395	100.0
330.11679	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	329.1242
Annotation	Linaride
Peak:m/z	Relative Intensity
50.64190	0.5
54.45911	0.8
57.03313	0.9
58.00468	1.9
59.01249	34.9
67.98437	0.7
70.68320	0.6
71.01254	22.7
71.32706	1.1
72.99181	2.1
73.02830	0.8
81.03363	0.9
85.02827	4.0
87.00716	1.1
89.02319	22.8
90.76469	0.7
95.01248	1.3
95.04929	0.6
97.06446	1.2
101.02332	8.3
106.04118	1.2
107.04923	3.5
113.02330	7.3
119.03398	8.1
119.04894	7.7
121.06480	18.3
123.04441	3.4
125.05975	5.1
126.66384	0.6
131.03445	1.2
134.03632	2.3
139.07489	1.0
149.05984	100.0
150.06343	3.8
161.04457	0.8
162.61929	0.6
165.05374	0.6
167.07047	67.3
168.07396	3.5
179.05472	0.7
211.85538	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98028	1.3
56.51199	1.1
57.03315	2.3
58.00463	3.1
59.01252	100.0
59.39833	1.2
68.07890	1.1
71.01254	63.8
71.07660	1.3
71.07986	1.9
71.43056	1.3
72.99168	4.6
73.02818	1.4
83.01259	1.3
85.02823	7.7
87.00710	2.2
89.02317	69.7
89.97299	1.5
95.01270	3.3
101.02327	25.4
108.59381	1.1
113.02340	22.9
118.56200	1.4
119.03393	23.7
131.03387	1.8
142.89218	1.2
143.03333	3.6
149.06006	1.4
161.04404	1.8
165.79842	1.5
179.05489	4.4
260.68793	1.4
329.11969	1.5
343.57648	1.3
344.16907	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1605
Annotation	8-Epiiridodial glucoside
Peak:m/z	Relative Intensity
54.41840	0.4
59.01244	0.8
70.16476	1.4
70.16839	0.6
71.01253	30.2
72.01608	0.4
82.89852	0.3
98.80648	0.3
104.30723	0.3
112.76473	0.3
115.00268	7.2
133.01360	0.8
161.02325	0.4
183.13828	10.9
184.14163	0.5
195.13837	10.4
196.14076	0.7
210.94710	0.4
211.13312	0.5
213.14903	100.0
214.15245	5.1
271.02377	0.4
299.01999	1.1
314.04272	0.6
329.06680	1.0
329.23383	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	329.2332
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
51.64254	0.5
54.05172	0.6
57.03310	1.5
59.01253	3.7
61.98697	0.9
70.37033	0.5
70.37377	1.6
71.04891	0.7
73.11498	0.5
79.92032	0.6
94.94375	0.6
97.06471	0.9
99.08031	6.9
112.08407	0.6
125.09626	2.3
127.11171	3.6
127.78187	0.7
129.09068	0.6
139.11198	8.3
147.14265	0.6
157.12186	0.8
159.43889	0.6
167.14372	0.8
171.10175	18.6
176.25659	0.6
183.13828	4.5
193.12268	1.6
199.13286	0.8
207.17474	0.8
209.11739	1.1
211.13344	23.2
212.13725	1.2
229.14404	14.6
269.17609	1.1
293.21295	0.8
311.22220	1.6
314.04590	0.8
329.23315	100.0
330.19882	0.6
330.23633	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	330.1194
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
51.55080	2.5
51.55318	2.4
56.01361	2.9
59.01238	8.0
61.72585	2.4
69.30161	2.6
71.01257	7.2
71.51334	4.1
84.47961	2.6
85.99968	4.5
87.00738	17.2
87.01223	2.4
89.02334	3.1
90.52867	2.7
101.02329	5.0
103.18082	2.5
111.00718	3.3
113.02359	4.2
122.05989	30.3
134.05998	5.3
136.07599	18.1
150.05502	100.0
151.03845	4.2
152.07048	11.2
162.05421	3.0
164.07098	3.3
175.06248	4.1
176.07013	8.9
194.08241	6.6
199.36510	2.9
202.15656	2.3
204.06505	3.0
204.74144	2.8
222.07664	4.2
312.10876	72.5
313.11249	5.1
330.11945	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1398
Annotation	Gluroside
Peak:m/z	Relative Intensity
54.59690	0.8
55.01752	2.9
55.22437	0.9
57.03317	2.2
58.00463	4.9
59.01250	100.0
60.01609	1.1
69.03357	1.0
71.01253	71.7
71.48523	1.6
72.99175	8.1
73.02825	8.0
83.01246	6.3
85.02824	17.5
85.99947	1.4
87.00766	3.1
89.02316	57.2
95.01267	5.0
99.00748	3.2
101.02323	51.6
102.02643	1.0
109.02826	1.1
111.00761	1.2
113.02324	27.3
119.03391	26.8
129.01738	1.1
131.03406	1.8
143.03397	1.8
148.21394	1.0
149.04443	1.1
151.07541	19.9
151.11127	1.6
152.07915	1.4
161.04459	3.3
165.02098	0.9
169.08658	2.2
177.01720	0.9
179.05525	2.3
245.44958	1.0
277.40723	0.8
287.15021	2.0
331.13974	90.7
332.14142	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	331.1762
Annotation	Rosiridin
Peak:m/z	Relative Intensity
55.01763	6.6
57.03313	4.5
58.00448	4.2
58.00708	0.9
59.01246	78.7
60.01586	1.2
69.36320	2.6
69.36730	5.2
71.01250	100.0
72.01572	2.0
72.99161	4.9
73.02815	21.0
75.00705	1.0
83.01254	11.4
85.02815	32.9
87.00731	3.3
89.02312	55.0
95.01277	7.0
97.02794	1.7
99.00760	7.1
101.02318	66.2
102.02681	2.2
110.92729	0.9
111.00714	1.3
113.02328	38.2
119.03383	23.8
120.03658	1.2
125.02357	1.9
131.03397	1.6
131.59763	1.2
135.04442	1.5
140.44080	1.0
141.01837	1.2
143.03392	4.1
149.04436	2.1
151.00299	1.1
159.02924	5.1
159.04080	1.2
161.04457	20.7
169.08575	1.5
169.12256	1.0
171.26009	0.9
172.16608	0.9
179.03438	1.3
179.05443	2.9
313.16589	2.1
331.17609	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	333.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.7
60.38413	0.4
64.01782	0.6
69.42258	1.3
69.42683	2.2
71.01257	0.7
78.03369	1.1
80.04929	1.1
92.04926	2.5
94.06495	5.1
96.14743	0.5
98.19866	0.9
103.04149	0.6
104.04944	2.6
104.84516	0.5
105.03333	3.0
106.06506	15.1
107.03612	0.6
108.04438	1.9
120.04443	7.0
121.05263	1.4
122.02357	0.6
122.05122	1.0
122.06008	16.0
123.03164	2.3
123.06340	0.6
124.07576	1.1
131.03632	0.7
132.04442	9.0
135.03157	0.9
138.05508	23.1
139.05827	1.3
141.09966	0.4
148.03992	0.8
150.05545	2.8
166.05034	0.7
173.08405	0.7
174.12770	1.0
188.07100	0.7
189.07886	1.3
198.07928	0.8
199.29785	0.5
200.05873	0.6
202.08911	0.5
213.06642	0.9
215.11856	1.2
217.07372	1.5
227.08240	0.8
231.11313	1.0
241.09779	3.4
243.11331	2.4
244.03830	0.4
259.10800	0.5
271.10965	1.2
276.31790	0.5
289.11957	100.0
290.12280	9.7
333.10873	7.0
334.11377	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1917
Annotation	Sachaloside VI
Peak:m/z	Relative Intensity
55.01757	10.2
57.03316	5.1
58.00473	2.6
59.01250	51.7
69.30441	11.0
69.62614	1.2
71.01254	93.5
72.01588	1.9
72.97520	1.1
72.99186	4.9
73.02824	34.9
75.00754	2.6
77.55807	1.2
83.01261	17.4
85.02823	54.8
85.50047	1.1
87.00761	5.0
87.97047	1.4
89.02312	9.4
95.01267	6.5
97.02844	3.1
99.00753	19.6
101.02320	100.0
111.00758	6.0
113.02336	39.8
113.02943	0.8
119.03399	5.1
125.02333	3.9
129.01788	2.6
131.03416	1.7
141.01929	1.8
143.03394	5.7
159.02887	11.2
161.04471	44.7
161.05826	2.3
171.13832	2.7
205.03381	1.8
333.15189	2.2
333.19202	39.4
334.19638	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	335.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	4.2
58.00499	3.8
58.01256	3.7
59.00955	5.6
59.01250	79.5
59.60338	4.0
70.42984	13.2
71.01254	89.2
72.99196	9.4
73.02803	19.9
74.76218	4.0
83.01236	9.5
85.02824	32.6
85.31116	4.1
88.60078	3.8
89.02316	58.2
91.30907	4.7
95.01271	7.9
99.00742	6.7
101.02324	93.5
107.08539	8.9
107.56970	4.1
113.02348	36.2
119.03362	25.6
131.03403	4.7
139.05016	4.3
143.03445	8.1
155.10638	4.5
159.02818	4.3
161.04445	29.7
172.42149	3.9
173.11763	48.0
179.05553	6.6
335.17096	100.0
336.17465	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	337.078
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
51.80902	0.5
55.01762	0.8
55.31657	0.6
59.01255	6.4
65.29311	0.6
68.99696	3.7
69.34727	2.0
69.35140	3.2
71.01250	3.5
72.99181	0.6
73.02821	1.7
73.53476	0.6
75.00739	1.0
83.01230	1.1
85.02814	6.8
86.05315	0.6
87.00755	2.3
95.01244	1.4
99.00750	4.7
101.02313	2.9
111.00743	2.4
113.02328	7.7
113.99472	16.2
115.00255	6.0
117.01916	0.6
127.00269	3.6
129.01826	2.6
129.87531	0.7
139.00334	0.6
139.03926	0.8
141.01793	0.9
157.01309	5.6
161.04550	0.7
169.01311	1.2
174.01610	14.8
175.02376	2.8
259.23587	0.6
277.05621	21.4
278.06122	0.7
337.07761	100.0
338.08130	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	337.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99755	0.6
59.01233	2.0
71.91284	0.6
98.20541	2.0
100.85105	0.6
109.30445	0.7
145.02852	1.7
157.02777	0.8
160.01479	0.9
161.02315	0.7
162.03131	1.7
171.04457	0.6
177.05464	3.9
181.06546	1.1
193.06569	1.4
195.08084	2.1
206.07356	1.9
207.08072	7.1
208.05223	0.7
209.06073	0.7
217.06522	1.6
221.06012	1.5
222.06790	1.9
223.07539	4.7
229.34331	0.6
233.06082	1.6
234.06850	3.4
235.03900	2.6
235.07607	13.3
236.07849	1.0
237.05553	2.6
249.05487	1.4
250.06248	2.8
251.07103	12.8
252.07396	1.0
261.05499	2.6
262.06305	2.3
263.07141	7.0
264.07791	1.1
266.09436	6.2
278.05881	3.9
279.06607	87.6
280.06995	7.1
290.05875	1.7
291.06613	39.8
292.07318	10.1
293.08054	2.8
294.08975	8.2
305.08255	5.1
306.05936	0.8
306.08954	31.8
307.06140	100.0
307.09531	9.6
308.06433	10.8
308.09943	0.5
321.07651	16.6
322.08429	60.3
323.08826	6.3
337.10806	67.0
338.11221	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	337.1082
Annotation	(-)-Glyceollin I
Peak:m/z	Relative Intensity
53.63687	0.7
54.00947	0.8
59.01202	4.3
63.77645	0.7
68.99637	0.6
71.01208	1.2
76.49467	0.7
95.01220	1.2
96.95844	1.4
109.22549	0.9
113.99458	0.7
115.00188	0.7
145.02774	1.1
157.02824	0.8
161.02332	1.6
162.03081	1.4
170.03590	0.8
171.04478	1.0
175.03886	0.9
177.05540	4.1
193.06436	1.2
195.08057	2.5
205.06610	0.7
206.07231	2.7
207.08102	6.5
209.05975	1.6
217.06493	1.6
219.08046	1.1
221.05991	1.0
222.06714	2.1
223.07603	5.1
233.06110	1.3
234.06815	5.3
235.04218	1.3
235.07593	12.6
236.04715	0.7
236.07875	1.7
237.05489	3.7
247.07619	1.1
248.57181	0.7
249.05525	1.3
250.06308	3.2
251.07097	14.5
252.07434	1.6
261.05499	2.3
262.06287	2.4
263.07156	7.1
264.07709	1.9
266.09460	5.0
273.05515	0.8
277.08258	0.8
278.05936	3.9
279.06613	93.9
280.06995	8.0
285.47827	0.8
289.05112	1.4
290.05823	3.0
291.06619	36.4
292.07318	10.9
293.08182	3.2
294.08908	7.4
295.09421	1.3
305.08215	5.1
306.05875	1.1
306.08942	33.0
307.06140	100.0
307.09552	9.6
308.06418	8.1
321.07693	16.8
322.08435	58.8
323.08841	4.4
337.10834	63.4
338.11197	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00960	5.0
59.01251	100.0
63.52554	2.2
69.34940	17.6
71.01246	8.7
73.02810	2.6
75.00716	2.2
75.09548	2.1
78.01812	2.3
83.01209	2.9
85.02806	5.5
87.00762	2.3
89.02323	5.3
90.26599	2.4
94.19748	2.4
101.02309	4.8
110.06832	2.1
113.02316	5.1
113.64111	2.5
161.04521	4.2
175.03856	2.9
277.12814	3.5
337.07648	3.5
337.14789	3.1
354.77179	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	337.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.0
57.03319	1.4
58.00463	3.0
59.01248	73.8
59.68753	1.0
60.38617	1.0
71.00853	2.3
71.01251	42.3
71.51956	1.4
72.99178	4.5
73.02806	1.9
75.00743	4.4
83.01245	2.9
85.02818	10.8
87.00774	2.1
89.02316	42.5
95.01273	4.2
99.00761	1.6
101.02319	26.6
113.02325	16.3
113.09634	1.3
119.03378	21.9
123.53226	1.1
131.03429	1.6
143.03413	2.3
149.04427	1.6
157.08594	2.9
161.04405	2.5
175.09668	1.9
179.05528	4.8
208.82646	1.1
237.06015	2.2
337.15036	100.0
338.15475	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	339.072
Annotation	AESCULIN
Peak:m/z	Relative Intensity
58.34826	0.2
59.01240	1.7
70.26223	0.8
71.01246	0.4
77.96193	0.3
81.03320	0.8
89.03835	1.9
94.98495	0.3
105.03329	3.7
113.02193	0.3
133.02858	7.4
134.03241	0.3
148.01640	0.3
149.02336	0.9
176.01099	0.7
177.01849	100.0
178.02184	4.8
221.75116	0.3
267.27866	0.3
298.37415	0.3
339.07126	5.7
340.07425	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0722
Annotation	AESCULIN
Peak:m/z	Relative Intensity
55.42295	0.5
59.01252	7.3
59.13753	0.6
64.01281	0.6
69.17015	5.1
71.01256	1.9
72.99147	0.8
77.03802	0.5
78.95756	0.5
85.02831	1.7
93.03331	1.5
101.02337	0.9
105.03336	1.2
108.02055	1.5
113.02339	1.6
120.02098	0.8
121.02839	2.3
123.04407	1.4
130.06721	0.6
133.02859	2.5
135.46613	0.6
135.69698	0.6
148.01517	1.0
149.02332	1.9
161.04410	0.8
176.01080	11.9
177.01851	100.0
178.02164	4.6
198.32997	0.6
284.05688	1.8
292.15369	0.5
297.11826	0.7
326.06650	1.6
336.02960	0.6
339.07172	16.2
340.07642	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	339.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81995	0.5
59.01276	2.2
61.92165	0.5
70.04739	0.5
71.01241	1.1
71.52383	0.6
73.02851	0.6
79.68853	0.5
117.03346	0.7
121.31878	0.6
125.73640	0.6
133.02913	1.1
135.04414	1.2
145.02849	4.0
146.03687	0.5
157.02849	0.7
157.55440	0.5
159.04504	0.5
163.03975	2.0
177.01927	1.0
179.03310	0.6
179.07089	1.5
179.08508	0.8
181.06427	0.9
191.08626	1.7
193.06544	1.0
195.08156	0.7
204.05757	0.7
207.08107	3.4
209.06026	0.8
217.06538	1.9
218.07291	1.2
219.08096	3.2
220.05327	1.5
221.06067	3.4
223.07634	1.7
224.04750	1.0
224.08279	0.7
225.05534	1.4
225.09134	1.0
233.06070	2.0
234.06848	1.8
235.07585	7.2
236.08189	0.8
237.05580	0.7
237.09286	1.6
238.06462	1.1
239.07133	2.0
245.06004	2.8
246.06889	1.9
247.07616	2.4
251.07201	2.0
252.07884	1.5
253.08641	5.3
261.05597	0.7
262.06387	2.5
263.07120	19.3
264.07712	2.4
265.08646	2.3
268.11057	2.2
273.05521	1.1
274.06317	1.1
275.07104	2.0
276.07788	1.2
279.06747	0.9
279.10324	0.8
280.07468	2.1
281.08170	29.9
282.08472	2.9
289.04926	0.6
290.05899	0.9
291.06665	7.6
292.07239	3.8
293.08160	11.0
294.08856	4.0
295.09772	2.1
296.10397	4.5
306.09036	0.9
307.09827	3.4
308.07074	0.9
308.10431	8.2
309.07681	100.0
309.10822	4.3
310.07971	9.8
323.09229	28.5
324.06885	1.1
324.09976	62.9
325.10300	6.3
339.12335	68.2
340.09677	1.0
340.12866	7.7
362.47037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1237
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
50.80050	0.6
59.01175	4.3
71.01178	1.1
72.97337	1.1
76.66540	0.7
79.95528	2.3
82.31576	0.7
89.02229	0.8
92.84522	0.8
92.85252	0.7
96.95890	90.2
96.96774	2.8
98.19873	1.9
101.02271	0.8
107.21320	0.6
108.02050	6.0
113.02299	1.0
117.03259	0.7
123.04409	4.5
135.04341	2.2
145.02881	3.8
146.03517	1.0
159.04330	2.6
160.05110	1.6
161.02269	0.9
162.02954	0.8
163.03818	1.9
167.05962	1.2
174.02986	0.7
177.01779	2.1
179.03384	1.2
179.07034	1.1
185.02284	0.9
187.03831	2.3
187.05455	0.8
188.04630	2.8
191.07037	0.9
191.08589	1.7
193.06436	1.2
203.07066	9.0
206.07285	1.0
207.08031	3.4
217.06451	2.2
218.07195	0.9
219.08038	2.7
221.06149	3.8
222.06351	0.8
224.04622	1.1
224.08226	1.2
225.05540	0.9
225.09145	1.1
231.08002	0.9
233.05954	2.4
234.06711	2.5
235.07658	7.5
236.08296	1.3
237.09142	2.0
239.07111	1.8
245.06006	3.1
246.06825	1.8
247.07553	2.1
251.07108	1.7
252.07851	1.5
253.04924	0.9
253.08684	7.7
258.15332	1.9
262.06393	2.8
263.07117	22.0
264.07675	3.4
265.08530	1.1
268.10934	3.1
273.05627	1.3
274.06543	1.1
275.07202	1.7
276.07751	1.1
278.09396	1.1
279.06451	1.0
279.10101	0.8
280.07370	2.4
281.05023	1.5
281.08182	29.7
282.08386	2.3
291.06647	9.4
292.07254	3.4
293.08221	8.6
294.08951	3.3
295.09772	2.8
296.10559	5.3
306.09091	0.9
307.09732	4.1
308.07169	1.4
308.10550	6.0
309.07697	100.0
310.08109	10.4
310.11661	1.3
311.12766	0.9
323.09235	25.1
324.09988	59.5
325.10333	6.1
339.12393	54.7
340.09402	1.1
340.12814	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	339.2328
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
56.84941	0.4
59.99393	0.4
64.62715	0.4
68.98956	0.4
69.51371	2.4
69.51738	0.8
88.49811	0.4
92.85017	0.4
93.51686	0.4
98.20645	0.6
105.97551	0.4
108.90495	0.5
121.26863	0.4
141.25262	0.4
163.11205	100.0
164.11522	4.5
231.34157	0.4
284.02060	0.4
339.23273	73.4
340.23550	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	341.1088
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
55.01743	1.2
57.03331	2.1
58.00470	3.2
59.01252	100.0
60.01591	1.4
62.72973	1.1
65.29723	1.3
67.92406	1.2
70.55428	3.6
71.01254	76.8
72.99165	4.0
73.02814	3.7
75.00758	1.6
83.01258	1.7
83.26170	1.2
85.02829	13.2
87.00748	7.4
89.02319	78.7
90.02662	1.6
95.01273	3.6
98.45676	1.5
98.78365	1.2
100.61771	1.2
100.95891	1.2
101.02321	32.6
102.02608	1.6
113.02337	27.4
119.03400	27.6
125.02322	3.2
127.27432	1.2
131.03375	3.4
143.03421	10.2
149.04475	3.6
152.72638	1.2
161.04471	11.9
179.05536	35.1
341.10928	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	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	4.1
59.01497	0.6
62.20408	0.6
65.68874	0.7
69.03325	1.6
71.01249	2.9
71.27732	1.2
83.04868	0.9
84.02032	9.3
85.02840	0.8
89.02301	3.3
92.20735	0.7
95.04900	0.9
97.02818	3.9
97.06470	6.7
97.99240	0.7
99.04404	3.7
101.02316	1.0
111.42336	0.7
113.02347	1.6
119.08504	1.3
125.09606	2.8
127.11181	1.2
135.08018	1.2
137.09579	1.6
171.10175	28.1
171.11664	1.4
172.10493	1.4
175.11160	0.9
183.13826	1.7
193.12280	11.6
194.12642	1.3
200.93951	0.8
211.13261	2.9
221.11713	1.1
225.14897	16.3
226.15271	1.7
243.15971	6.8
253.14337	0.8
260.46100	0.8
291.19586	1.9
323.22372	0.9
341.23291	100.0
342.23648	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15393	0.5
57.03316	0.6
59.01249	9.7
69.03316	2.3
70.99164	1.0
71.01248	5.9
71.04913	0.4
73.02782	0.5
81.03359	0.5
83.04885	1.9
84.02022	1.7
85.02833	1.6
89.02319	7.6
97.06473	12.0
99.04413	0.5
101.02308	2.2
103.15614	0.4
108.62498	0.4
111.08048	0.6
113.02332	2.4
119.03381	3.0
125.09611	1.7
131.03371	0.5
135.04124	0.4
135.08020	0.4
137.09612	0.9
143.03389	0.6
149.13211	1.1
159.21036	0.4
161.04427	0.9
165.12727	1.0
171.10175	7.3
175.11156	1.1
177.12862	0.8
179.05508	2.7
183.13818	0.5
185.11736	0.7
193.12273	16.7
194.12613	1.3
197.15468	0.7
211.13350	3.3
221.11848	1.2
225.14919	27.1
226.15239	1.9
243.15977	11.5
244.16354	0.8
253.14389	1.0
273.18515	0.4
291.19662	1.0
305.21304	0.6
313.28482	0.4
323.22501	0.8
341.11145	2.9
341.23309	100.0
342.23685	9.6
350.83350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0368
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97596	1.4
59.01249	88.5
70.58871	3.9
92.07182	1.4
137.17325	1.3
157.03500	5.3
159.01421	4.3
201.02477	100.0
202.02678	8.5
202.65862	1.6
272.66785	1.4
343.03778	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	343.2487
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
53.09887	0.5
57.03313	0.7
59.01247	3.6
65.18028	0.5
69.03326	1.4
71.01251	1.6
71.51392	0.6
83.04887	1.9
89.02314	1.2
97.06458	0.8
99.08031	7.5
101.02328	1.0
107.01288	0.7
113.02346	0.6
113.09664	0.6
121.10102	3.2
125.09605	2.0
127.11115	1.0
137.09602	1.9
139.11214	0.9
149.13335	0.6
165.12758	1.1
171.10176	20.9
172.10434	0.9
175.11206	1.1
185.11810	0.6
188.82957	0.6
192.94907	0.5
193.12268	12.2
194.12604	0.7
208.00711	0.5
211.13388	2.9
225.14919	17.6
226.15321	1.3
243.15997	5.9
248.21313	0.5
293.21143	1.7
311.22372	1.3
313.03424	0.9
325.23752	1.3
343.24881	100.0
344.25201	10.7
362.90906	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2489
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03309	1.3
58.34661	0.6
59.01248	5.2
61.47911	0.6
69.03320	1.4
69.17062	5.7
71.01237	2.2
83.01254	0.8
83.04872	0.9
83.90530	0.7
89.02302	1.7
94.65074	0.6
97.02848	0.8
99.08044	8.0
101.02341	1.2
106.90939	0.7
107.01268	1.8
113.02322	1.4
119.03407	0.6
120.59988	0.6
121.02805	1.0
121.10103	2.9
125.09626	1.9
127.11189	1.4
137.09570	2.1
139.11118	0.8
171.10184	30.8
172.10460	1.0
175.11220	1.1
186.08490	0.7
190.71683	0.7
193.12267	12.4
194.12552	1.5
211.13324	2.3
225.14911	16.0
226.15137	0.8
243.15979	5.4
280.15964	0.8
286.15018	0.7
289.17953	1.1
293.21188	2.4
311.22223	0.7
313.03278	1.1
328.05972	1.1
343.03711	0.9
343.24875	100.0
344.25162	8.8
362.72568	0.7
365.66412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.8
59.01252	6.0
71.01254	3.1
71.51027	0.8
78.52821	0.7
89.02330	2.0
91.02771	0.8
101.02286	0.8
107.01255	1.5
107.98912	0.7
113.09585	0.8
119.03384	1.0
121.02816	1.5
121.10120	9.9
125.09624	1.1
126.20239	0.8
127.11163	2.2
137.09633	2.1
139.11159	1.9
153.09251	0.8
171.10185	69.7
172.10484	2.1
179.05505	1.0
200.73615	0.8
201.72163	1.1
211.13347	2.1
213.77948	0.9
293.21213	2.2
313.03589	1.1
343.08051	2.2
343.24893	100.0
344.15359	0.9
344.25208	9.7
367.49423	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60469	0.5
59.01251	4.8
61.53558	0.6
65.99715	1.6
68.55615	0.7
69.40345	0.6
71.01255	4.5
71.06391	1.2
73.02816	0.8
77.48095	0.5
80.04895	0.7
83.01264	1.1
84.04424	0.9
85.02816	1.6
87.00761	0.8
89.02323	1.7
94.02843	1.0
95.03653	2.2
99.00754	0.8
101.02316	2.9
104.04951	1.3
106.06515	3.5
112.03919	0.7
113.02318	2.2
121.02804	1.0
122.06014	2.4
123.03152	1.2
124.07564	5.1
132.04449	35.5
133.02817	1.1
133.05251	15.9
134.06047	5.4
135.04419	1.7
148.03926	2.0
150.03105	1.6
150.05513	1.3
151.00331	0.7
161.02380	2.5
161.04506	1.2
165.04224	29.3
166.04553	1.4
176.03407	1.3
176.07080	0.9
177.04216	3.4
178.04984	1.8
179.03418	1.8
183.10187	5.1
185.08331	0.8
186.09148	5.1
209.03223	6.0
210.03822	0.6
211.50662	0.6
211.72064	0.5
212.10849	0.9
213.06664	3.4
214.12323	6.3
215.11833	7.6
218.04550	0.7
229.09828	3.7
240.10532	1.2
241.09808	3.7
257.12964	21.5
258.13269	2.4
283.10938	7.4
284.11224	0.8
301.11942	20.5
302.12335	1.3
327.09894	1.8
329.59036	0.8
345.10904	100.0
346.11176	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	345.119
Annotation	Aucubin
Peak:m/z	Relative Intensity
59.01249	51.1
65.07363	2.0
70.70771	5.0
71.01253	31.0
72.99214	3.2
80.73495	2.4
85.02839	5.4
89.02326	22.3
93.06991	2.1
95.01228	2.1
101.02337	14.2
103.42764	1.9
106.04116	4.3
113.02325	9.9
119.03419	10.2
119.04958	3.3
121.06479	59.3
122.03667	2.2
122.06841	3.0
125.10155	2.2
126.25883	1.9
135.04459	2.6
137.05984	3.1
147.92281	2.2
155.79558	2.1
165.05487	100.0
166.05806	3.0
183.06688	4.9
235.16322	2.1
260.08484	2.1
345.12103	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.119
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00462	4.5
59.01254	100.0
68.48666	2.2
70.43134	5.7
70.43494	2.1
71.01257	66.6
72.99178	5.7
85.02818	8.0
85.27144	1.8
87.36802	2.0
89.02324	60.5
99.98997	2.2
101.02335	17.9
107.43431	2.2
109.17264	1.9
111.04378	5.6
113.02331	16.9
119.03371	16.2
119.04884	2.6
121.02780	2.6
122.03606	6.8
137.05975	23.2
143.03416	3.0
147.04395	9.8
164.07985	2.5
164.25250	2.5
165.05508	30.4
183.06566	21.9
184.06906	2.3
235.29489	2.5
295.76059	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30168	5.3
59.01250	100.0
70.08840	16.4
71.01259	67.5
85.02830	6.8
89.02322	79.8
89.73357	5.2
101.02318	19.7
111.04433	8.3
113.02344	27.0
119.03372	30.3
119.04921	4.9
122.03644	14.9
137.05984	20.3
147.04417	7.7
159.56737	5.0
165.05499	25.0
183.06532	48.6
237.06911	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	345.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.2
58.00454	4.7
59.01249	100.0
59.83442	1.9
65.57904	2.0
71.01251	77.6
71.31624	2.6
72.99169	6.4
74.73218	1.9
76.39288	2.2
85.02830	13.4
87.00777	2.7
89.02316	74.0
95.01260	5.3
101.02311	30.0
111.04411	9.6
112.72486	1.8
113.02341	25.3
119.03398	22.6
119.04876	2.3
121.02784	2.8
122.03606	8.6
131.03362	2.8
135.04428	2.7
137.05988	31.4
143.03380	3.1
147.04440	11.2
149.04399	2.6
161.04520	2.7
165.05478	34.2
179.05559	6.0
183.06552	39.6
205.29062	2.3
262.58768	1.9
356.58710	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72645	1.0
54.28561	1.2
55.01761	7.8
57.03328	7.4
58.00453	4.8
59.01251	100.0
69.47112	2.2
69.47526	6.1
70.62623	1.3
70.74638	1.0
71.01253	81.7
72.01589	2.1
72.99178	5.3
73.02813	20.3
74.20365	1.0
75.00747	1.3
83.01263	12.1
85.02824	33.3
86.00003	1.9
87.00745	3.0
89.02316	36.4
92.40340	1.2
92.54249	1.2
95.01263	8.4
97.02843	2.1
99.00752	6.0
101.02320	56.3
102.02647	1.1
106.14021	0.9
111.00754	2.0
113.02338	27.1
116.13692	1.1
119.03372	13.6
121.10133	4.3
130.13289	1.2
131.03442	1.2
143.03423	2.3
159.02879	3.5
161.04465	7.1
179.03279	1.3
179.05591	1.2
183.10124	8.3
299.22833	1.1
301.16635	1.4
345.15533	81.5
346.15942	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	345.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28067	0.6
55.01756	1.1
57.03302	1.3
58.00459	2.5
59.01251	56.2
60.01571	0.8
60.79639	0.5
62.82949	0.8
69.25729	2.1
69.26157	2.6
71.01254	32.0
72.01607	0.6
72.92929	0.5
72.99173	2.6
73.02818	2.0
83.01261	2.7
83.67316	0.6
85.02819	6.9
85.15829	0.6
87.00739	1.1
89.02312	26.6
95.01247	2.0
99.00761	1.2
101.02319	21.6
105.17659	0.6
113.02328	11.5
116.27050	0.5
119.03381	12.1
121.10107	1.8
131.03412	0.8
133.95885	0.6
143.03349	0.7
149.04451	0.6
158.77661	0.6
165.09120	12.5
183.10191	2.5
192.73775	0.6
198.04816	0.6
217.93733	0.6
253.58189	0.6
282.31818	0.6
325.74414	0.5
345.15527	100.0
346.15854	9.0
350.46783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12656	0.6
52.46883	0.6
53.15240	0.7
55.01755	4.6
57.03321	4.9
57.75552	0.6
58.00465	2.4
59.01253	39.5
63.06478	0.6
66.35516	0.6
66.42731	0.6
69.03332	1.3
70.28747	0.7
71.01255	100.0
71.51745	0.9
72.01598	1.2
72.99187	5.7
73.02821	25.2
75.00763	1.2
75.68311	0.5
81.03387	0.9
81.05505	0.6
83.01258	10.3
85.02826	39.5
86.03172	1.0
87.00756	2.9
89.02316	19.7
89.02840	1.2
95.01262	7.5
97.02850	1.8
99.00761	11.7
101.02326	53.7
102.02664	0.8
111.00749	0.7
113.02331	40.7
114.02697	0.8
119.03391	6.8
123.04422	1.2
125.02340	2.8
129.01813	1.5
131.03354	0.8
137.02391	0.7
138.02644	0.9
139.00253	0.7
143.03415	5.0
143.23706	0.7
155.09645	0.7
159.02898	7.6
161.04468	42.1
162.04834	1.9
163.44902	0.7
165.09155	1.1
183.06503	0.7
183.10184	6.0
183.37569	0.8
205.03508	1.7
345.15558	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	345.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.2
57.03325	2.4
58.00460	5.1
59.01249	100.0
71.01251	67.0
72.99171	4.4
73.02819	5.7
73.26029	1.2
83.01276	7.0
83.04849	1.4
85.02819	16.9
85.41817	1.2
87.00762	2.0
87.28522	1.4
89.02315	46.6
95.01267	4.1
99.00776	2.4
101.02320	46.6
113.02328	20.2
116.11342	1.4
119.03388	20.0
121.10121	16.4
123.05397	1.5
131.03453	1.4
132.89923	1.3
143.22383	1.4
149.35565	1.3
161.04463	2.2
165.09158	7.3
171.40405	1.2
176.03444	8.3
183.10248	2.7
283.10831	2.6
301.11752	2.9
327.09723	1.2
345.15521	89.4
346.15805	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	345.1553
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
51.34643	0.5
52.09491	0.5
53.07906	0.5
55.01761	1.1
57.03325	1.3
58.00471	3.4
59.01250	78.1
60.01582	1.9
66.92704	0.5
68.88722	0.5
71.01250	54.7
72.01585	0.9
72.99190	4.5
73.02822	1.5
83.01260	2.7
85.02818	9.9
87.00759	2.4
89.02313	50.9
90.02643	1.1
95.01273	3.2
98.20598	1.2
99.00773	1.3
101.02321	39.2
102.02647	1.0
113.02328	21.1
114.02657	1.2
119.03382	27.3
120.03735	0.8
121.02854	0.8
125.02329	0.5
131.03452	1.1
143.03387	2.4
149.04456	1.1
161.04500	3.0
165.09146	2.3
179.05521	2.1
183.10185	1.4
187.78876	0.5
201.11230	0.7
221.04395	0.6
239.03284	0.6
240.55786	0.6
277.55240	0.5
312.53534	0.6
313.33929	0.6
315.08627	0.9
345.15524	100.0
345.22583	3.1
346.15881	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	345.1556
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
51.78168	1.0
55.01754	2.3
57.03317	2.5
58.00460	3.0
59.01252	48.0
67.35808	0.8
69.03341	1.6
69.75504	5.2
71.01256	48.7
72.99175	5.8
73.02817	7.7
77.08602	0.9
79.86835	0.9
80.04331	0.9
83.01256	5.1
85.02828	15.6
87.00751	1.6
89.02320	30.6
95.01244	4.5
98.19881	1.4
99.00749	4.1
100.84091	0.9
101.02326	35.4
102.02654	1.6
111.00759	1.5
113.02337	19.1
119.03389	13.8
121.06410	1.0
121.10088	2.4
125.02350	0.9
131.03433	2.1
138.06448	0.9
139.19440	0.9
140.67950	0.9
143.03339	1.5
159.02866	1.3
159.81171	1.1
161.04463	3.9
165.09138	10.4
179.05544	1.2
183.10185	3.2
257.12943	1.1
301.16461	1.6
345.15540	100.0
346.15912	9.1
362.03973	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	5.6
59.01254	93.8
65.22554	2.9
66.64152	3.1
71.01258	90.0
71.01658	4.4
71.08237	8.1
72.99186	6.5
73.02821	5.0
85.02824	13.2
87.00727	4.8
89.02316	100.0
100.06593	3.2
101.02338	34.8
113.02318	32.4
119.03386	44.6
143.03413	8.2
143.57516	3.2
161.04477	7.5
179.05511	16.1
190.99635	3.4
203.30844	3.5
242.87624	3.9
243.79942	3.5
246.78847	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	347.1714
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
53.36452	0.9
55.01759	5.0
55.20945	1.0
57.03323	2.5
58.00468	1.6
59.00954	2.1
59.01251	36.7
71.01253	33.9
71.51986	1.1
72.99179	2.4
73.02830	14.7
83.01243	7.1
85.02822	18.4
85.99961	2.8
87.00751	2.5
89.02322	9.6
95.01244	2.5
97.02862	1.4
99.00744	4.5
101.02331	31.2
111.00778	1.5
113.02334	11.9
119.02571	0.9
119.03393	3.6
120.99517	1.2
133.02811	1.2
135.04427	1.4
141.01863	1.1
143.03430	1.2
149.02371	1.1
159.02859	1.6
161.02332	1.3
161.04472	6.8
179.03395	1.7
185.11714	5.1
201.96666	1.0
276.99216	0.9
303.18103	2.2
347.17136	100.0
348.17453	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	347.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.6
57.03315	1.6
58.00472	5.6
58.31419	0.9
59.01250	100.0
59.30539	0.8
60.01565	1.3
71.01250	60.7
72.99194	5.8
73.02814	3.0
75.90981	1.0
83.01245	4.2
85.02821	13.2
86.62012	0.9
87.00744	3.0
89.02317	58.6
95.01282	5.3
99.00741	2.0
99.08089	0.9
101.02321	42.1
102.02701	1.4
113.01546	1.2
113.02332	23.4
119.03391	30.4
120.35496	0.9
131.03377	3.7
143.03371	3.3
149.04472	1.2
149.06000	2.6
154.49979	0.9
161.04475	2.1
167.10687	45.0
168.10968	2.1
179.05484	4.0
185.11754	2.6
206.05956	1.1
235.22797	0.9
268.49008	1.0
347.17087	71.9
348.17551	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1711
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
50.96368	0.6
51.26133	0.6
55.01754	3.7
55.67370	0.7
57.03313	1.9
58.00470	1.4
59.01251	28.1
69.03318	0.8
71.01254	27.8
72.01611	0.6
72.99179	2.0
73.02822	8.8
75.00732	0.6
83.01260	6.8
85.02347	1.1
85.02824	13.9
85.99947	2.5
87.00742	2.1
89.02322	6.9
95.01237	2.0
98.20567	1.6
99.00754	4.8
101.02325	29.4
102.02650	0.8
111.00765	1.5
113.02331	9.3
119.03383	2.1
125.02300	1.3
134.46690	0.8
159.02893	0.8
161.04445	2.2
167.10664	1.0
185.11742	3.0
347.17090	100.0
348.17410	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	347.1709
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
50.64419	1.0
54.03337	1.0
55.01754	1.3
57.03313	1.0
58.00453	2.5
59.01252	51.8
60.01553	0.8
71.01252	32.0
72.99176	3.2
73.02812	2.7
83.01260	1.9
85.02818	5.4
87.00730	1.5
89.02316	25.3
95.01266	2.5
98.19751	1.8
99.00765	1.6
101.02321	19.3
105.17003	0.9
106.23898	0.9
113.02331	10.6
119.03375	10.0
125.63034	0.9
149.04439	1.8
167.10674	15.0
168.10924	0.9
169.12256	3.5
179.05521	1.1
185.11740	5.9
197.11726	2.6
198.12132	1.0
229.14310	2.0
315.14603	2.5
347.17087	100.0
348.17398	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	347.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	3.7
57.03313	2.3
58.00459	1.4
59.01254	21.5
68.99676	0.6
69.03313	0.6
71.01253	29.3
72.99182	2.2
73.02819	12.7
75.00750	0.9
83.01253	9.5
85.02824	16.3
85.99960	2.2
87.00759	2.0
89.02330	2.8
95.01247	2.4
99.00748	4.2
101.02322	27.1
102.02660	0.8
111.00753	1.7
113.02326	10.2
119.03352	1.0
123.00749	0.8
125.02367	0.5
129.01868	0.6
135.04396	0.6
141.01921	0.5
143.03362	0.6
151.00244	0.6
159.02885	1.3
161.04483	3.9
185.11722	3.8
241.27037	0.5
303.18088	2.1
347.17096	100.0
348.17450	9.9
348.21692	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51419	0.7
55.01774	4.2
57.03317	3.0
59.01251	28.9
69.03320	0.9
70.53156	2.2
71.01253	32.3
72.75072	0.7
72.99165	4.1
73.02821	12.4
75.00726	0.9
83.01259	8.6
85.02824	19.9
85.99949	2.2
87.00739	3.1
89.02319	7.6
95.01257	3.5
97.02856	1.0
99.00752	4.6
101.02322	37.9
113.02326	11.8
113.13248	0.7
119.03378	3.3
123.04382	0.8
135.04413	1.3
143.03377	1.4
159.02863	1.3
161.02357	0.9
161.04494	5.4
179.03357	1.4
179.05540	1.0
185.11713	4.7
303.18216	2.2
347.17117	100.0
348.17352	9.5
350.87299	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71426	11.2
59.01250	87.9
61.98693	21.2
71.01239	18.1
71.51066	16.6
71.51514	13.3
78.61488	11.8
101.02354	12.7
105.16518	12.7
113.02229	13.7
114.02309	11.0
133.02798	17.3
156.78874	12.8
166.04276	11.6
190.52222	10.9
253.48930	13.6
265.44434	11.6
280.37064	12.9
285.04034	100.0
287.02240	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	349.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	37.8
59.01498	6.1
66.29712	5.5
66.92008	6.9
69.18428	59.3
71.01243	35.1
72.99197	11.9
82.21989	5.6
85.02856	8.8
87.00743	17.5
87.12881	6.8
89.02314	29.4
99.00751	11.4
101.02301	18.6
105.93827	5.7
111.00779	9.4
113.02339	12.5
115.00303	6.4
119.03371	10.9
141.01891	5.7
149.04463	7.2
151.06010	11.2
179.05544	12.3
269.17529	6.0
313.11365	100.0
349.08942	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32967	0.7
59.01252	100.0
60.01598	1.0
71.01255	3.4
73.02824	1.9
75.19480	0.6
85.02842	2.1
101.02327	3.2
113.02359	1.8
145.57744	0.6
161.04454	1.9
203.28969	0.6
289.16617	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.7
57.03326	1.6
58.00460	4.9
59.01250	100.0
59.08308	1.3
69.18758	2.2
69.19157	8.8
71.01252	70.2
72.01601	1.3
72.99175	4.7
73.02816	7.0
83.01239	4.6
85.02821	17.7
85.64371	1.3
87.00745	4.4
87.21200	1.2
89.02316	55.0
95.01266	5.5
98.19750	2.3
99.00774	2.2
101.02322	35.7
113.02329	22.1
114.67728	1.3
119.03381	19.0
120.90969	1.1
131.03381	1.6
143.03387	5.6
149.04417	2.2
153.31299	1.3
158.41827	1.2
161.04468	9.4
176.04527	1.9
179.05519	13.8
187.13321	4.2
349.11618	1.3
349.18680	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	351.0568
Annotation	4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate
Peak:m/z	Relative Intensity
57.03316	4.1
58.00467	1.6
59.00956	1.9
59.01250	35.5
61.00298	1.3
68.90220	1.4
68.99670	1.7
69.17457	12.9
71.01255	55.6
72.06005	1.5
72.99181	33.9
73.02816	7.7
75.00739	18.5
83.01258	5.4
85.02824	37.9
87.00759	9.9
89.02325	9.9
95.01274	9.8
96.15272	1.4
99.00757	18.9
100.43400	1.3
101.02325	11.1
103.00239	11.7
108.04415	1.8
111.00764	1.6
113.02332	57.9
114.02686	1.9
115.00291	3.2
117.01821	3.8
119.03378	1.7
122.93612	1.5
129.01833	2.4
131.03391	3.3
133.01329	2.6
136.03951	1.5
138.05614	1.4
157.01347	3.2
161.04504	2.6
167.05807	2.0
175.02396	15.9
178.97688	1.4
179.03328	2.3
183.06714	1.4
193.03464	37.7
232.26535	1.6
289.05667	5.4
289.11954	2.4
295.02142	1.6
298.10620	1.3
307.12949	5.7
351.05679	100.0
351.12021	5.0
352.05804	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0568
Annotation	4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate
Peak:m/z	Relative Intensity
55.01746	1.2
57.03328	6.1
58.00463	1.4
59.01251	36.8
68.67664	1.2
69.03336	1.9
70.27567	3.1
71.01254	59.3
72.99181	37.7
73.02824	7.7
75.00746	23.2
83.01271	9.6
85.02824	51.1
87.00751	13.3
89.02327	9.1
95.01281	9.9
98.20480	1.4
98.76119	1.1
99.00760	17.6
101.02335	9.9
103.00259	11.8
108.87750	1.2
111.00772	2.8
113.02333	68.3
114.02696	3.1
115.00278	2.8
117.01802	3.8
124.09843	1.5
129.01817	4.0
131.03398	5.0
132.08443	1.1
133.01312	2.7
139.00288	1.3
139.98122	1.0
157.01328	3.0
161.04567	1.2
175.02414	13.8
193.03471	37.7
194.03627	1.3
219.06392	1.1
235.04547	1.5
289.05725	5.8
307.06454	1.5
307.13013	1.8
351.05692	100.0
352.06027	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	353.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90980	4.7
59.01255	38.5
69.43665	16.2
69.44083	13.5
71.01247	45.5
72.99181	11.9
73.02813	6.1
73.87860	4.3
75.00748	6.3
76.79831	4.4
79.21567	4.1
85.02827	14.9
87.00733	11.5
89.02312	14.0
99.00754	68.4
101.02314	8.8
108.02045	9.7
113.02339	23.2
116.08606	4.7
119.03436	4.8
124.01541	10.5
124.64808	4.0
127.00231	14.2
133.02834	4.2
134.03627	14.0
135.04442	10.8
137.02339	6.9
139.00345	4.2
143.03378	5.0
146.03659	6.0
147.04417	16.3
148.01590	7.3
148.05197	19.0
149.05992	8.3
150.03166	5.2
151.03905	5.4
158.03644	6.4
159.02962	6.5
159.04396	14.4
160.01584	6.0
160.05215	43.3
161.02353	17.9
161.04465	8.1
161.05847	6.2
162.03122	53.6
162.06741	8.7
163.03905	19.5
163.07523	7.7
164.04689	10.7
172.05263	11.4
173.06013	59.8
174.03151	9.7
175.03925	22.2
175.07498	9.6
176.04689	11.4
176.06215	4.6
177.05504	100.0
177.07047	5.2
178.06087	14.8
179.07068	5.9
184.05208	15.5
185.05977	5.4
187.03926	23.3
188.04729	58.0
189.05464	13.6
190.02625	18.2
190.06319	24.2
191.07059	8.8
193.04997	5.1
193.08675	4.7
196.57536	5.3
201.05527	12.2
202.06236	36.0
203.03439	7.0
203.07016	22.6
204.04219	39.3
205.05040	39.4
205.08569	6.4
206.05405	7.0
207.06563	12.2
215.03398	7.2
216.04288	12.2
217.08640	97.5
218.02066	7.2
218.09012	8.3
219.02908	17.9
219.06577	84.6
221.04655	6.7
221.08180	55.7
231.06624	41.3
233.04558	16.0
235.06117	50.2
247.06030	5.0
249.07677	49.7
250.08179	7.3
251.05611	53.6
261.07751	5.0
265.07117	15.0
273.07541	5.6
291.08658	5.4
293.03546	7.7
293.06683	50.5
294.07071	7.0
309.10046	6.2
328.30737	4.4
353.09091	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.4
70.96623	0.2
108.02066	0.4
118.96521	0.2
120.11063	0.2
121.06458	0.2
122.03613	0.7
133.99945	0.2
147.04413	1.1
148.05196	2.1
149.05983	100.0
150.06323	4.4
180.89961	0.2
223.82581	0.1
292.87082	0.1
353.12372	0.6
369.74332	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.6
70.84786	1.0
75.00746	0.9
79.95608	11.2
80.21698	0.6
80.96389	0.8
94.97972	0.7
95.95123	2.1
96.95889	83.2
101.02432	0.5
120.27546	0.5
122.97512	3.7
200.99542	0.6
229.14484	1.1
257.46320	0.5
311.25940	0.8
353.20016	100.0
354.20383	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	353.2119
Annotation	Guayulin B
Peak:m/z	Relative Intensity
53.96654	0.3
58.42952	0.3
59.01250	0.4
60.05593	0.3
71.59449	0.3
72.97575	0.2
75.22019	0.3
79.95616	0.5
91.21414	0.3
96.95882	1.5
107.04885	0.3
108.17782	0.3
131.07443	0.3
147.08078	0.4
163.11194	95.3
164.11519	6.3
177.09123	73.4
178.09444	3.8
190.09999	0.4
197.64873	0.3
203.54819	0.3
222.08905	0.7
229.22037	0.4
307.57053	0.3
353.21194	100.0
354.21527	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	355.0822
Annotation	justiflorinol
Peak:m/z	Relative Intensity
52.93724	0.6
55.10426	0.5
59.01241	1.9
63.02256	1.0
65.00201	6.0
65.03845	0.9
68.99673	0.8
69.03300	0.7
89.03833	0.6
91.01766	62.2
92.02110	1.4
93.02766	1.0
93.03334	14.7
94.09414	0.6
95.01260	1.0
97.06439	0.8
105.03337	1.1
108.02029	5.1
109.02835	22.1
110.03174	0.9
117.03343	5.9
119.01248	0.8
119.04916	27.0
120.05240	1.3
121.02837	18.7
122.19927	0.6
123.00718	1.2
123.04373	1.0
125.09589	3.8
130.04105	0.7
131.04919	1.1
132.02052	1.0
133.02853	8.0
134.03189	0.9
135.04393	1.2
145.02853	16.6
146.03624	0.7
147.04413	19.4
148.04713	1.0
154.86264	0.5
159.04454	1.4
161.02361	1.9
163.03915	7.6
165.01842	8.3
173.02344	2.0
174.03183	0.8
175.03920	32.3
176.04311	1.6
187.09700	1.1
189.01881	0.7
190.05028	0.8
191.03445	0.8
193.06572	0.7
194.02107	0.6
197.11646	1.3
202.02675	2.7
209.06049	1.2
211.07637	1.4
213.62593	0.6
221.05965	1.0
223.07579	0.7
224.04745	0.9
237.05508	2.7
238.06218	0.9
239.07121	2.6
249.05614	1.2
250.06496	0.6
251.06978	1.5
265.05154	0.8
267.06610	21.4
268.06949	2.4
269.08167	0.7
277.04895	0.7
278.06088	0.7
279.06619	2.2
295.06097	1.5
296.06689	0.5
297.07675	16.7
298.08017	1.5
307.06168	1.2
309.07843	0.9
311.18872	0.7
325.07156	100.0
326.07520	10.0
327.38113	0.7
337.07135	1.3
355.12848	1.5
355.17578	2.8
355.26328	1.4
359.53668	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1246
Annotation	galactopinitol A
Peak:m/z	Relative Intensity
58.00467	3.1
59.01253	56.4
61.98705	2.2
69.65421	3.2
69.65826	5.5
71.01254	36.5
71.04888	5.8
72.99169	3.7
73.02812	2.8
75.00704	1.8
77.19970	1.5
81.03330	14.3
83.01270	2.8
85.02833	10.8
87.00754	3.3
89.02319	29.8
89.29276	1.5
95.01256	1.8
99.04391	6.1
101.02317	22.1
113.02332	16.0
115.81040	1.3
118.35204	1.4
119.03389	13.0
125.02381	2.3
131.03397	1.7
143.03415	22.7
158.89812	1.6
161.04509	1.3
175.06036	3.2
193.07167	2.6
355.12466	100.0
356.12677	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	355.2278
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
51.09541	0.9
54.37270	1.0
59.01255	2.5
71.51285	1.0
71.51672	1.1
71.52019	1.0
85.02814	2.7
86.37590	0.9
103.38307	0.9
107.04961	1.2
109.02831	2.1
111.00790	1.2
122.03641	9.9
123.92910	0.9
127.07514	1.8
135.04413	29.0
136.01544	1.7
136.04723	1.6
136.77951	0.9
147.08040	3.4
149.05963	1.2
149.09596	7.9
151.07556	4.1
154.02631	3.3
155.10692	1.3
161.09621	9.1
162.10028	1.1
163.07559	3.5
163.11192	51.4
164.08330	15.9
164.11459	1.6
165.09131	10.1
177.09132	69.9
178.09882	21.2
179.10695	79.0
180.11049	2.6
183.10213	2.3
187.11185	1.7
191.10684	13.1
193.08641	8.8
194.08948	1.1
265.12344	1.3
279.13736	1.0
280.14630	2.3
298.15735	57.7
299.16101	4.5
309.22070	1.3
321.18436	1.4
322.19275	1.3
337.21719	50.2
338.22034	6.3
340.20410	88.7
341.20764	11.2
355.22781	100.0
356.23141	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	356.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86057	9.1
52.11953	9.3
54.56932	9.2
59.01242	11.7
61.98700	100.0
70.43721	27.5
78.11104	8.8
121.02832	30.3
283.95407	9.3
288.10043	9.4
356.26758	11.6
357.24350	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	357.0615
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
70.38332	0.7
93.03323	0.5
98.20567	0.2
107.51077	0.2
121.02843	100.0
122.03173	3.6
140.03751	0.2
165.01840	1.0
180.05713	1.5
181.06502	6.4
182.06841	0.5
203.46312	0.2
215.47957	0.3
225.05536	6.9
226.05872	0.6
235.63454	0.3
243.04005	0.2
271.07175	0.5
313.07159	8.3
314.07419	0.8
357.06149	29.8
358.06570	3.2
373.49274	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0977
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
55.18702	0.6
59.01241	4.2
68.99680	0.7
69.94624	2.2
71.01260	1.1
75.00739	1.8
80.26932	0.6
85.02836	0.7
91.05387	1.0
93.03338	7.3
95.04904	0.7
105.03345	1.5
107.04909	1.9
108.02051	1.8
109.02843	11.8
109.38496	0.6
117.03329	1.0
119.04924	8.9
121.02844	15.3
122.03652	3.2
123.04392	10.4
124.01582	0.6
125.02335	1.0
131.04938	1.0
133.02838	2.6
134.03650	1.2
135.04419	10.7
136.01563	7.8
137.02347	5.6
138.02705	1.5
139.03914	7.2
141.32111	0.6
143.04889	1.0
145.02849	4.6
146.03648	1.9
147.04427	13.0
148.04799	0.8
149.02344	12.0
149.05981	0.9
150.03107	3.9
151.03923	15.2
151.56799	0.6
152.04335	0.7
154.02516	0.8
159.04401	6.0
161.02356	6.5
161.05975	2.4
162.03131	22.5
163.03925	3.1
165.01843	1.5
165.05435	0.8
171.04387	1.8
174.03114	3.0
175.03905	4.0
177.01866	1.3
177.05493	7.6
178.02626	1.5
179.03418	30.6
180.03697	1.8
181.04961	1.4
187.03935	1.7
189.05525	6.3
191.03438	2.2
192.04239	0.8
199.07506	0.7
207.06561	2.1
209.04524	0.9
223.07503	1.0
225.05606	0.9
225.09163	0.6
226.06300	2.3
227.07059	4.5
239.07072	1.9
241.08681	0.9
250.06334	1.4
251.07088	3.3
253.08673	1.0
255.06627	6.6
267.06537	2.4
268.07330	2.1
269.08319	3.0
278.05823	0.9
279.06586	4.4
280.07355	1.5
281.08185	1.2
296.06882	0.7
297.07678	76.2
298.07968	5.7
309.07748	5.1
327.08728	7.5
339.08545	0.8
357.09772	100.0
358.10089	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	357.1342
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
59.01252	0.4
65.00206	0.2
67.01759	0.3
69.03329	0.4
69.23429	0.1
71.01269	0.4
71.52464	0.2
80.20822	0.2
84.02052	0.3
85.02836	0.6
93.03336	1.3
95.01269	0.5
108.02055	1.5
109.02866	1.0
111.00849	0.2
113.02307	0.3
121.01965	0.4
121.02841	7.8
122.03647	2.7
123.00776	0.6
123.04401	0.3
124.01578	0.6
134.03636	1.0
135.04402	0.6
136.01559	71.7
137.02245	3.1
145.06456	0.2
147.04364	0.2
149.05995	0.4
151.03914	100.0
152.04254	4.4
152.05269	0.1
153.01826	0.6
154.02618	0.6
156.26900	0.2
159.04449	0.5
160.05153	1.1
161.02252	0.4
161.06044	0.3
162.03162	1.1
163.03943	1.3
173.06018	0.3
175.03920	0.7
175.07539	1.1
176.04605	0.4
177.01790	0.2
177.05472	1.0
179.03397	0.7
181.01338	0.8
187.03949	0.6
188.04652	0.2
189.05515	0.7
190.06242	0.4
193.05130	0.2
203.07074	0.4
241.05006	0.2
256.07364	0.2
267.06735	0.2
282.09085	0.2
311.12903	0.9
342.06946	0.2
342.11081	4.3
343.11353	0.5
357.13422	19.6
358.13742	2.5
358.18387	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
61.39050	1.4
70.42400	4.7
71.01245	1.5
71.31802	1.4
84.74612	1.4
95.97494	1.7
97.55655	1.4
101.02290	1.7
101.52364	1.7
121.02847	9.9
175.03845	1.8
189.63980	1.4
223.13351	3.9
357.05933	2.6
357.09735	2.5
357.24100	4.2
364.69916	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	3.0
63.92125	1.2
70.53086	2.3
70.53391	1.5
72.99175	32.0
82.07227	1.2
93.03328	3.3
117.76592	1.3
119.04918	2.7
139.00230	3.7
166.99771	9.5
174.70905	1.3
181.06482	3.8
185.00867	9.0
193.06534	9.4
197.09454	1.7
199.07626	1.4
207.08078	19.5
209.05959	2.7
211.07492	3.6
219.08069	21.4
220.08449	1.9
223.07616	4.0
224.08391	3.7
225.09175	19.7
227.07117	3.1
227.16191	1.4
229.14406	2.1
235.07620	16.1
237.05443	5.3
237.09166	53.9
238.09537	4.8
239.18826	1.5
241.08678	3.8
251.07040	5.9
253.08662	47.1
254.08989	5.9
255.06639	3.6
255.10394	2.4
256.07312	2.5
263.07043	12.6
264.07309	1.8
269.08215	8.0
269.10767	1.3
272.07022	1.6
279.06561	2.8
281.08188	32.8
282.08536	3.6
297.07599	14.1
298.07959	1.7
299.09369	14.7
300.06265	1.4
300.09555	1.9
307.06070	2.7
315.08728	85.8
316.09085	6.7
317.09998	2.0
325.07025	7.9
343.08182	48.7
343.12341	2.4
344.08514	5.6
361.04504	5.6
361.09247	100.0
362.09555	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	361.0928
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
51.69916	1.3
59.01242	2.2
69.44522	8.7
71.01250	2.7
71.23807	1.4
72.06928	1.4
72.99179	25.9
93.03351	2.3
93.83421	1.4
101.75954	1.9
111.00774	1.6
113.02308	2.1
119.04906	1.8
125.72244	1.4
144.16270	1.6
166.99739	7.1
181.06526	2.7
185.00854	6.0
193.06508	7.4
207.08067	14.6
208.08401	1.8
209.06059	2.3
211.07573	4.5
219.08075	19.0
220.08513	2.1
223.07625	4.7
224.08382	1.8
225.09175	17.5
227.07202	1.6
232.82468	1.4
235.07590	13.2
236.08054	1.7
237.05576	3.5
237.09172	49.0
238.09468	2.5
240.07709	1.5
241.08621	4.1
251.07133	2.3
253.08669	38.6
254.09100	4.0
255.06589	3.4
255.10190	4.5
256.07318	1.8
263.07098	10.4
269.08148	7.9
279.06680	2.5
281.08234	31.8
282.08554	2.9
297.07578	10.9
299.09244	11.7
307.06073	3.6
315.08765	87.7
316.09106	9.1
325.07211	9.9
343.08206	51.2
344.08569	4.3
361.09268	100.0
362.09555	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	361.1141
Annotation	Catalpol
Peak:m/z	Relative Intensity
57.03307	2.6
58.00439	2.5
59.01253	47.2
69.03326	2.2
70.90255	2.6
71.01257	41.5
71.88390	1.9
72.99193	4.2
81.03333	3.7
83.01265	4.2
85.02821	24.1
86.35318	1.9
87.00744	3.0
89.02322	23.8
90.21870	2.1
93.03331	4.1
95.01272	4.2
95.04903	2.9
97.02823	16.8
101.02329	20.8
107.04899	7.8
109.02847	5.7
111.04388	3.8
113.02353	19.3
119.03408	17.2
119.04914	2.9
121.02823	5.2
123.04417	13.3
125.02353	10.9
125.05984	3.6
127.03916	5.6
133.02876	2.8
135.04439	13.6
137.02338	6.3
137.06020	3.3
139.03873	2.6
140.03619	1.9
141.05473	2.9
145.72588	2.2
147.04445	5.2
149.05969	3.1
151.03934	18.3
153.05516	4.5
159.04437	3.5
161.04448	8.5
163.03957	10.1
165.05463	3.6
167.57950	2.3
169.04988	14.5
176.41440	2.0
177.05479	4.9
181.05003	33.9
187.04088	2.2
187.88599	2.0
193.05081	4.7
199.06044	22.4
205.04953	3.9
213.89058	1.9
217.04900	4.8
223.05966	5.0
343.10080	1.9
361.11374	100.0
362.11780	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77824	1.5
54.00877	1.4
56.74356	1.6
58.00467	8.8
59.01253	20.2
62.80720	1.5
65.03820	5.8
69.03320	2.1
71.01254	9.3
73.02784	2.4
81.03335	30.7
83.04903	19.6
85.02805	5.4
87.00745	2.2
89.02328	8.1
91.01745	4.5
93.03319	5.7
101.02332	8.1
105.03301	1.6
106.04117	2.2
107.04932	9.9
108.02057	5.5
109.02853	10.5
111.04400	13.8
113.02319	4.8
117.03323	1.7
119.04910	2.2
121.02820	11.8
123.04399	5.2
125.01450	3.0
125.02346	50.1
127.03909	8.6
133.02832	5.0
134.03664	3.9
135.04428	8.8
135.60295	1.7
137.02428	2.1
145.02867	2.2
147.04402	3.2
149.02330	4.2
150.03075	1.9
151.03896	5.3
152.01070	12.4
153.05466	1.8
153.56023	1.6
161.02344	2.2
162.03036	2.4
163.03914	23.1
164.04684	9.4
165.01773	4.1
165.05446	2.0
175.03915	2.9
177.01929	1.9
179.03365	15.2
183.10188	2.5
185.10199	1.7
191.03448	7.6
191.79057	1.5
193.04990	97.1
194.05280	4.3
195.35605	1.8
208.03725	9.8
257.08145	2.1
301.07257	2.6
319.08206	100.0
320.08688	10.0
345.06100	3.2
363.07187	65.8
363.16562	6.2
364.07477	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	363.1297
Annotation	Kankanoside B
Peak:m/z	Relative Intensity
59.01254	45.5
69.03321	11.7
69.78625	5.6
69.79014	6.5
71.01249	35.5
72.99171	3.0
73.02815	27.5
74.20135	2.7
81.03353	5.5
83.01242	3.7
85.02824	14.1
89.02315	30.9
95.01278	4.9
97.02820	37.8
97.39663	2.9
97.47649	2.6
98.20455	3.8
101.02326	30.5
107.04943	4.5
109.02836	93.6
111.04429	6.2
113.02321	11.9
119.03394	12.3
121.02843	14.4
123.04419	3.8
125.05974	9.2
127.03893	10.3
135.04413	15.3
136.87558	2.8
137.05991	4.8
139.03912	8.2
143.03363	3.0
146.65247	3.2
153.05489	100.0
154.05815	4.1
158.15469	2.8
161.04526	6.2
165.05515	21.9
171.06558	34.4
179.05518	3.8
183.06593	43.2
184.06967	2.6
201.07603	39.8
226.40367	3.0
244.57687	3.1
300.63782	3.3
363.12891	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	363.1297
Annotation	Harpagide
Peak:m/z	Relative Intensity
52.23528	0.6
55.01762	0.9
57.03332	1.0
58.00478	1.8
59.01250	42.9
69.03340	1.1
71.01254	38.0
71.50246	0.7
72.96593	0.5
72.99194	3.2
73.02829	1.8
78.75504	0.6
81.03328	3.1
83.01260	5.5
83.04903	0.8
85.02820	19.8
87.00742	1.5
89.02316	47.1
90.02655	1.3
93.03326	1.2
95.01266	2.8
95.04906	1.4
97.02833	15.7
98.71461	0.6
99.04387	5.1
101.02326	19.3
109.02842	8.0
110.08138	0.6
111.04421	3.4
113.02337	17.9
115.55099	0.6
119.03392	20.0
121.02834	2.0
121.06458	3.2
122.03599	1.1
123.04418	1.1
125.02342	2.7
127.03904	80.8
128.04259	2.8
131.03413	2.3
137.05974	9.2
138.47375	0.6
139.03911	17.1
139.07512	1.1
143.03415	3.2
147.04343	0.8
149.04459	2.0
153.05482	0.7
157.04968	0.6
161.04449	5.2
165.05481	22.1
166.05856	0.8
179.05528	11.3
183.06551	100.0
184.06909	5.6
193.20892	0.6
201.07668	6.5
274.19345	0.6
278.24237	0.6
296.41940	0.6
363.12946	33.2
364.13248	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1297
Annotation	Harpagide
Peak:m/z	Relative Intensity
57.03318	1.6
58.00465	4.9
59.01252	100.0
67.01745	2.2
68.99688	5.3
69.03329	1.5
69.78884	2.2
69.79274	3.9
71.01254	85.5
72.99175	6.9
73.02848	1.7
83.01266	3.0
83.04863	1.3
85.02824	82.1
86.03168	1.6
86.44405	1.1
87.00744	4.2
87.04390	4.8
87.33784	1.0
89.02318	75.5
90.02647	1.2
93.20014	1.3
95.01271	5.2
97.02831	6.5
98.19842	1.4
101.02325	31.4
110.64156	1.2
111.04407	20.3
111.55499	1.1
113.02335	31.4
113.05991	1.4
119.03393	27.0
121.02864	1.6
121.06455	1.9
122.03620	2.9
127.03912	1.5
131.03392	3.4
137.05988	15.0
139.03870	7.4
143.03412	4.0
145.36151	1.2
157.04985	19.2
161.04457	5.7
165.05496	19.0
179.05524	14.1
183.06575	13.0
201.07634	20.0
203.47208	1.2
305.90399	1.2
363.12976	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1298
Annotation	Harpagide
Peak:m/z	Relative Intensity
57.03332	1.8
58.00457	3.8
59.01250	100.0
60.01588	1.7
61.98703	2.3
67.01769	2.6
68.99682	5.6
69.03341	2.9
69.87594	7.2
71.01252	79.2
72.99184	5.7
74.69845	1.5
77.44669	1.5
83.01250	3.3
83.04882	2.6
85.02824	83.2
87.00766	4.8
87.04418	4.9
88.97590	1.7
89.02321	60.2
95.01267	4.7
97.02831	10.0
101.02332	25.5
101.73810	1.5
111.04404	16.8
113.02321	23.0
119.03398	22.3
119.04857	1.8
122.03626	5.8
125.02354	2.5
127.03883	1.6
131.03424	2.0
137.05980	14.7
139.03874	7.6
143.03386	4.0
149.04378	2.1
157.04947	10.4
161.04434	5.0
165.05455	14.0
179.05557	15.0
183.06525	13.5
201.07622	22.5
228.82959	1.6
288.53860	1.7
299.36572	1.6
328.60251	1.7
349.19513	1.5
363.12921	9.3
382.37036	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56274	1.1
55.01767	2.0
57.03320	3.7
58.00468	2.8
59.01251	75.8
71.01254	53.6
71.31374	1.9
72.99190	3.7
73.02820	74.3
83.01257	5.2
85.02818	12.0
87.00752	1.6
89.02321	54.2
91.35464	1.2
95.01279	2.7
97.06510	1.2
99.00775	1.7
101.01698	2.4
101.02327	29.8
111.08041	1.2
113.02335	20.5
119.03394	22.6
120.03729	1.6
121.10130	2.7
131.03404	2.5
139.11107	1.5
143.03413	3.3
144.45840	1.2
149.04443	1.5
153.09129	2.2
161.04469	6.4
171.10167	7.7
179.05522	13.9
183.10181	14.6
201.11255	9.4
256.74762	1.2
345.15353	1.4
363.16623	100.0
364.17032	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	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.2
56.82161	1.1
57.03312	1.8
58.00457	4.7
59.01251	100.0
69.66315	6.0
71.01255	64.3
72.99171	4.5
73.02822	12.1
83.01237	3.7
85.02825	11.5
85.52451	1.0
87.00746	3.3
89.02316	69.3
91.26721	1.2
95.01266	2.9
98.20532	2.4
101.02325	37.6
111.08031	1.7
113.02328	21.5
119.03384	29.8
131.03377	3.7
135.08015	2.4
138.72821	1.3
141.09109	2.0
143.03419	6.0
149.04486	2.5
153.09117	3.3
161.04454	7.7
171.10207	13.2
179.05508	16.9
183.10216	3.4
200.32076	1.2
201.11237	13.1
214.28174	1.2
231.71938	1.2
295.20645	1.4
363.12067	2.6
363.16623	45.3
364.16974	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	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77017	0.9
55.01749	1.7
55.56174	0.9
57.03313	1.4
58.00468	4.8
59.01249	100.0
60.01575	1.4
71.01250	72.4
72.01599	1.7
72.99179	7.8
73.02812	9.0
82.02842	0.9
83.01258	7.4
85.02819	16.8
87.00760	3.7
89.02314	80.2
95.01241	5.6
99.00759	3.7
101.02319	48.0
111.08052	2.6
112.92855	1.0
113.02322	30.2
113.03078	2.0
119.03384	37.8
123.08041	3.5
125.02392	1.6
127.00297	1.5
131.03404	2.8
135.08060	2.1
137.09692	1.0
139.00334	0.9
141.09108	3.9
143.03392	5.7
149.04456	3.4
153.09119	1.6
159.02744	1.5
161.04460	14.1
169.08575	1.3
171.10175	29.6
172.10623	1.4
179.05537	20.2
183.10201	5.0
201.11250	21.5
257.49881	1.0
331.09363	1.1
363.16583	52.6
364.16922	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	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.8
56.41295	0.5
57.03320	1.4
58.00461	1.9
59.01249	34.9
69.46115	0.5
71.01252	22.5
72.99182	4.4
73.02824	4.7
83.01259	4.3
85.02819	7.8
85.99992	0.7
87.00771	3.2
89.02316	14.2
95.01250	2.2
98.20512	1.2
99.00729	1.7
101.02322	16.7
103.68069	0.6
113.02321	7.7
119.03382	7.0
120.04839	0.5
137.09578	1.0
139.11179	0.6
142.74829	0.6
155.10730	0.7
161.04448	0.7
165.09146	1.0
179.05498	0.8
183.10188	33.9
184.10504	1.8
201.11256	3.9
270.51022	0.7
289.85767	0.6
333.15518	1.2
345.15518	15.3
346.15906	1.8
363.16595	100.0
364.16974	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	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43657	0.3
59.01250	100.0
60.01585	1.1
60.33912	0.3
69.61896	0.7
69.62300	1.9
71.01252	2.2
73.02829	0.8
73.27061	0.4
85.02829	1.1
88.88546	0.3
89.02330	0.5
89.29460	0.4
101.02348	1.4
107.41586	0.3
113.02336	1.0
127.66881	0.4
128.23227	0.4
161.04527	0.5
196.78505	0.4
201.11302	0.5
276.31555	0.4
319.42007	0.4
363.20395	1.0
389.70367	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04316	0.3
52.76041	0.3
55.01745	1.1
57.03329	0.7
58.00469	0.7
58.01702	0.3
58.05186	0.3
59.01252	11.4
64.45179	0.3
67.04463	0.3
69.55051	2.2
71.01254	10.5
72.99180	13.3
72.99588	0.7
73.02824	3.8
83.01253	2.4
85.02345	0.5
85.02821	5.4
85.99986	0.4
87.00733	0.9
89.02309	2.7
95.01259	0.9
99.00774	1.5
101.02328	11.8
111.00790	0.5
113.02327	4.4
119.03394	1.4
129.01924	0.3
155.10718	0.7
157.21216	0.3
159.02919	0.3
159.31252	0.3
161.04501	0.5
183.10185	2.9
184.10457	0.3
201.11290	2.8
239.60973	0.3
254.75352	0.3
289.79260	0.3
304.58945	0.3
317.15939	0.4
318.52921	0.4
335.06006	0.3
345.15570	2.4
346.15750	0.3
363.16602	100.0
364.16934	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0877
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
59.01251	5.9
69.24865	3.9
70.52798	0.5
71.01236	1.9
73.02823	1.2
75.87837	0.5
83.01250	0.5
85.02850	0.9
89.02316	0.9
90.36012	0.5
98.20555	1.2
101.02317	1.4
111.04396	0.5
113.02325	1.4
119.03371	0.6
145.02795	1.1
158.03642	13.2
159.04434	5.7
171.04398	1.9
173.02377	0.5
175.03931	0.7
179.03412	0.7
201.01834	0.9
201.05522	2.9
202.02652	100.0
203.03165	9.1
213.05560	3.2
231.06560	1.5
245.04520	1.3
252.20258	0.5
275.05551	2.2
289.04861	0.5
289.09238	0.5
360.45294	0.5
365.08762	49.9
366.09189	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.9
58.28033	1.0
59.01253	62.9
60.50894	1.0
71.01253	19.5
71.51718	1.9
72.99187	2.2
73.02818	39.0
83.01253	3.6
85.02812	9.1
87.00758	2.0
89.02316	5.0
99.00765	3.0
101.02325	17.4
106.99206	1.3
113.02316	8.9
119.03413	2.1
142.06512	2.7
159.02888	1.5
161.04457	4.9
186.05542	2.0
189.37479	1.2
203.10463	1.6
230.57079	1.0
305.16052	3.5
347.17108	3.8
365.18143	100.0
366.11789	2.2
366.18542	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	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01603	0.9
60.47859	1.0
70.23540	3.0
71.01255	19.9
72.99191	2.5
73.02819	2.0
73.87978	0.9
75.00760	1.4
83.01286	1.2
85.02801	4.7
87.00741	2.4
88.40151	1.0
89.02316	26.2
101.02332	10.8
111.04384	1.7
113.02326	8.6
119.03387	9.0
125.02335	1.2
131.69937	0.9
135.04419	1.6
143.03397	2.7
161.04466	2.8
179.03412	2.0
179.05501	3.9
191.98918	0.9
193.56097	0.9
202.02695	2.6
203.10826	1.6
355.72806	0.9
365.08551	2.8
365.17926	3.3
379.07999	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	1.6
57.03323	1.4
58.00460	3.7
59.01251	100.0
60.01577	0.7
70.52466	0.7
70.52802	1.3
71.01254	49.0
71.45087	0.6
72.01625	0.7
72.99184	4.8
73.02834	3.3
83.01275	3.8
85.02827	10.3
87.00760	1.5
89.02319	55.1
90.02661	0.7
95.01281	3.7
98.98759	0.6
99.00732	1.4
101.02320	35.4
102.02695	1.0
105.06163	0.6
113.02334	20.3
119.03389	26.8
120.03732	0.9
125.02380	0.6
131.03409	2.4
131.97986	0.7
132.03702	0.6
141.39404	0.6
143.03400	3.0
149.04472	2.2
156.04422	0.7
161.02278	0.8
161.04465	3.9
166.35597	0.6
179.05551	4.2
185.11787	4.7
203.12883	4.0
222.27429	0.7
241.83704	0.6
305.16080	1.0
347.17200	0.9
365.18143	96.6
366.18600	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	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93619	0.2
53.90051	0.2
55.01759	1.3
57.03313	1.1
58.00457	0.7
59.01252	14.1
59.27302	0.2
69.28400	1.8
71.01255	13.4
71.04881	0.7
72.99189	1.5
73.02824	4.6
75.00758	0.3
83.01259	3.6
85.02352	0.4
85.02825	5.7
85.99989	0.6
87.00745	1.0
89.02316	4.4
95.01260	1.0
97.02847	0.4
99.00754	1.8
101.02323	11.9
111.00751	0.9
113.02330	5.3
118.41447	0.2
119.03426	1.3
125.02319	0.5
127.11167	0.8
139.11163	1.0
143.03363	0.4
155.10620	0.6
157.12250	4.5
161.04449	1.1
179.05598	0.3
185.11792	2.8
203.12822	11.7
204.13292	0.6
228.98740	0.3
245.13821	0.3
269.49719	0.3
347.17133	1.0
363.16473	0.3
365.18127	100.0
366.18460	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	365.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76410	0.4
57.03327	1.1
59.01260	5.5
71.01266	0.9
83.04893	0.6
85.44117	0.4
89.76867	0.5
95.04923	1.1
96.95892	1.5
109.06498	0.5
111.08042	10.8
115.70453	0.5
137.09633	0.9
139.11261	0.4
155.51123	0.5
164.16162	0.4
167.10675	2.6
177.12787	2.5
179.10667	2.0
195.13872	6.9
203.14287	0.6
211.52835	0.4
247.20570	2.4
273.18661	1.5
291.19666	100.0
292.16873	0.8
292.20035	10.4
317.09747	0.5
365.23334	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37669	0.6
51.69356	0.5
55.89550	0.6
56.06594	0.7
57.03316	1.5
59.01250	7.0
59.43520	0.6
59.67891	0.6
66.79352	0.7
70.66447	1.7
71.01245	1.2
71.33458	0.5
94.30604	0.6
96.46203	0.6
96.95894	1.7
111.08051	4.9
113.02312	0.9
121.10134	4.5
125.09615	3.3
141.12779	0.7
147.08051	1.1
167.10622	1.0
170.63448	0.6
174.40034	0.6
177.12717	1.5
184.38560	0.6
185.11794	5.8
195.13852	3.2
197.11786	1.3
209.11833	1.2
211.13217	0.7
247.20744	1.3
273.18552	1.7
286.24670	0.7
291.19669	100.0
292.20032	9.2
323.09570	0.7
365.19434	0.8
365.23367	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	365.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.1
59.01248	5.8
71.01255	0.6
71.69500	0.4
80.26526	0.4
83.04900	0.6
89.02318	0.4
91.03888	0.9
95.04934	0.9
95.81242	0.4
96.95882	0.9
98.19662	0.7
109.06469	0.6
111.08038	11.2
111.08803	0.6
112.08351	0.4
134.43352	0.4
136.75777	0.4
137.09647	0.8
141.38623	0.4
142.95836	0.4
149.09671	0.5
167.10617	2.2
168.10966	0.4
175.11305	0.5
175.71452	0.4
177.12785	2.5
179.10661	2.0
193.15759	0.5
195.13829	6.8
196.14204	0.6
203.14389	0.6
207.52820	0.4
229.71014	0.5
247.20592	2.2
273.18524	1.6
291.19653	100.0
292.19992	9.7
316.93427	0.4
365.19421	0.4
365.23404	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	100.0
71.42931	61.2
83.96745	35.7
89.75778	27.9
95.52171	31.6
103.04051	30.6
123.04639	32.8
221.25064	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.8
57.03337	3.1
57.61393	0.5
58.00457	1.8
59.01249	29.7
62.39216	0.6
65.57211	0.6
69.03345	0.6
69.70960	3.3
71.01254	38.7
71.04900	0.7
72.99167	2.2
73.02821	24.2
75.00755	1.2
80.51669	0.6
83.01253	10.5
85.02824	21.7
85.99973	0.9
86.03168	0.6
87.00239	0.7
87.00744	1.9
89.02326	8.1
95.01271	2.6
97.02824	2.0
99.00761	10.6
101.02326	46.9
102.02641	0.9
111.00754	1.4
112.01521	0.8
113.02336	17.9
117.03326	0.9
119.03421	0.7
119.04909	0.9
125.02347	1.4
129.01854	1.0
131.03394	2.1
141.01947	0.8
143.03397	1.4
143.07010	0.9
143.44302	0.6
145.02849	4.1
159.02859	3.3
161.04460	15.7
162.04831	0.7
205.03459	1.3
219.29138	0.5
235.11830	99.5
236.12108	3.9
279.10651	1.1
367.16064	100.0
368.16443	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	367.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	5.1
57.03315	3.5
58.00460	2.3
59.01249	37.0
69.61757	4.2
71.01255	45.2
72.01573	0.8
72.99183	3.3
73.02821	19.1
75.00733	1.6
83.01257	11.9
85.02823	22.9
85.99954	1.0
87.00756	3.1
89.02328	8.0
95.01260	3.0
97.02843	1.4
98.19892	1.2
99.00744	7.6
101.02323	45.1
113.02330	21.1
114.02671	0.9
119.03388	0.8
119.04927	1.7
125.02365	1.4
129.01840	1.3
131.03407	1.3
143.03436	2.2
143.04597	0.6
143.07021	0.9
145.02751	0.8
149.04527	0.9
159.02895	2.5
161.04472	16.5
163.03819	1.0
181.02222	0.6
205.03525	0.7
213.04446	0.7
233.67427	0.7
235.11829	100.0
236.12143	5.2
250.59941	0.6
268.19669	0.6
279.10825	1.4
367.16046	15.7
367.20657	0.9
368.16312	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03089	0.4
57.03327	3.5
57.61618	0.4
59.01249	4.3
71.01247	0.9
72.17909	0.4
75.48882	0.4
85.02810	0.4
91.03870	0.7
97.06459	0.8
108.28367	0.4
111.08043	0.4
113.09613	14.1
114.09956	0.6
119.39086	0.4
125.09598	0.4
137.02449	0.4
138.78238	0.4
139.11191	1.5
155.13148	0.4
162.43359	0.4
167.10663	2.1
177.12770	1.1
179.10728	2.2
181.63722	0.5
195.13858	2.5
195.15366	0.4
203.24266	0.4
249.22168	1.7
293.21228	100.0
294.21567	11.1
307.10196	0.7
350.73407	0.5
367.25735	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.4
58.00447	0.4
59.01247	6.3
69.58935	2.3
71.01247	1.4
72.99165	0.4
85.46938	0.4
89.02325	3.0
91.03880	12.8
95.04935	0.6
111.08053	0.7
113.09612	0.6
122.71628	0.4
167.10747	0.5
171.10132	0.7
179.14343	1.4
195.13840	8.9
196.14348	0.7
205.12195	0.5
205.15921	1.0
223.13338	6.3
224.13869	0.6
228.13660	0.8
236.35742	0.3
256.13022	1.8
265.21558	0.6
275.20123	6.2
276.20370	0.6
293.21213	100.0
294.21552	11.1
307.10205	0.4
315.12128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91685	0.9
58.00467	1.0
59.01246	9.2
70.90191	0.9
70.90531	1.7
71.01260	1.3
89.02306	4.7
91.03886	11.4
95.71679	0.9
142.05316	0.9
175.75200	0.9
179.14278	1.2
195.13828	8.4
199.16957	5.4
205.15921	1.5
223.13399	5.9
228.13678	0.9
256.13159	1.9
275.20142	6.4
277.49121	0.8
282.79953	0.9
293.21231	100.0
294.21573	11.7
307.10202	1.4
360.01462	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2641
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
59.01245	1.0
71.63786	0.9
85.23308	1.0
98.19743	2.8
105.55797	0.9
109.30879	0.9
121.98587	0.8
123.14684	0.9
133.06474	8.2
149.09625	81.7
150.09901	4.5
174.29121	1.2
205.15923	48.5
206.16240	3.5
217.32448	1.0
229.87875	1.0
295.17059	2.8
328.16824	1.9
367.26413	100.0
368.26746	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	369.0672
Annotation	1,2-beta-D-Glucuronosyl-D-glucuronate
Peak:m/z	Relative Intensity
55.01754	1.7
57.03314	3.4
59.01251	26.1
69.03331	0.8
69.39628	3.8
69.40048	3.7
70.88804	0.9
71.00855	1.5
71.01254	33.2
72.99184	36.0
73.02823	6.8
75.00718	4.4
79.31899	0.9
80.74324	0.8
83.01256	2.7
85.02827	27.2
87.00733	3.2
89.02317	16.9
95.01268	5.1
97.02835	1.2
99.00770	4.2
101.02319	11.5
103.00266	10.2
113.02330	44.0
114.02663	2.1
114.13749	0.9
119.03385	1.1
129.01819	3.1
131.03391	6.6
133.01331	11.4
137.02315	1.2
151.00325	1.0
157.01309	2.6
163.02382	1.7
175.02466	6.9
193.03470	100.0
194.03838	3.5
229.80807	0.9
235.04559	4.0
237.09824	1.6
277.05716	1.1
351.05762	14.4
369.06812	6.0
369.14090	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	369.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.7
59.01250	4.0
65.79479	0.4
69.21379	2.4
69.21794	1.0
71.01242	1.6
72.99155	0.6
89.02316	1.8
91.03886	9.8
98.19856	1.0
113.09602	2.1
134.36249	0.4
138.49217	0.5
179.14311	1.0
193.03595	0.7
195.13861	15.2
196.14151	0.7
251.23805	0.6
277.21735	13.7
278.22144	1.4
295.22784	100.0
296.23145	10.0
297.24432	0.9
311.06186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.077
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
52.45386	0.6
55.01777	0.6
58.94081	0.6
59.01259	3.0
65.00195	1.0
65.03838	0.7
67.01769	2.1
68.99681	1.8
69.03321	2.2
70.80388	1.4
71.01243	0.6
71.20895	0.6
79.01794	0.7
81.03333	4.4
83.01252	3.3
85.02853	0.8
89.03842	0.9
91.01768	3.4
91.05412	0.8
93.03322	4.1
95.01268	3.8
95.04906	1.6
97.02825	4.8
105.03328	1.7
107.01286	2.4
107.04916	2.4
108.02068	2.8
109.02839	10.2
111.00766	4.5
117.03366	3.0
119.01268	0.8
119.04905	2.1
121.02837	8.0
122.03614	2.4
123.00776	9.9
123.04436	4.0
124.01558	15.3
125.02337	34.8
126.02696	1.3
131.04959	2.0
133.02861	5.7
134.03638	1.4
135.00784	0.8
135.04413	8.3
137.02342	9.6
138.03145	0.8
139.03912	1.4
145.02861	2.6
147.04395	4.3
148.01601	1.8
149.02356	9.6
149.05986	1.1
150.03143	3.3
151.00273	9.1
151.03926	5.3
152.01057	41.5
153.01837	88.1
154.02214	4.1
159.04451	1.5
161.02362	7.6
162.03119	2.3
163.03917	13.9
164.01109	2.0
164.04408	0.9
165.01828	4.7
166.02586	1.7
167.03462	1.0
175.03915	2.9
177.01837	8.1
177.05473	2.0
178.02629	8.3
178.99759	1.2
179.03412	11.0
191.03366	3.3
193.05003	3.7
203.03416	6.7
207.02855	1.0
210.01570	3.0
217.04852	0.8
219.02979	1.1
221.04494	2.4
257.04568	1.9
313.07242	2.1
323.05753	0.6
325.07080	0.9
341.06580	2.4
353.06662	1.6
371.07697	100.0
372.08240	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	371.0773
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01257	1.9
61.98709	0.4
71.52277	0.4
73.50187	0.3
83.64011	0.4
85.02800	0.4
101.02351	0.3
115.37492	0.4
121.02847	100.0
122.03180	3.4
137.36133	0.4
179.03403	10.5
180.03789	0.6
207.84805	0.3
217.44777	0.4
225.05591	0.7
239.07243	0.4
239.20221	0.3
241.78804	0.4
283.06082	0.5
344.49686	0.3
371.07700	13.2
371.12161	0.8
372.07999	1.9
372.12326	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	15.6
64.15477	3.5
70.52982	10.1
71.01250	4.0
93.03346	15.3
107.04903	3.8
108.02026	4.7
109.02843	5.8
121.02837	17.8
123.04391	9.1
130.31645	3.4
133.02893	4.7
135.04410	5.3
137.02354	4.3
149.02315	12.4
151.03926	11.9
161.02336	8.5
162.03072	3.7
163.03918	8.7
165.01813	6.6
177.01854	7.3
178.02666	4.5
179.03424	100.0
180.03722	5.4
188.04733	7.5
191.03467	4.0
192.04422	3.3
199.60555	3.1
203.07088	8.7
209.04463	4.4
231.43895	2.9
371.07788	14.6
371.11768	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	371.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	3.1
60.25834	0.8
71.01257	1.5
71.07538	1.2
71.55686	1.0
73.02830	1.3
85.02812	1.3
93.03337	2.3
93.21817	0.9
95.01273	1.2
96.95876	3.6
108.00602	0.8
108.02052	4.3
109.02818	3.4
117.03336	1.1
119.04847	1.7
120.02023	1.5
120.89585	0.8
121.02844	10.8
122.03628	1.5
123.00790	1.8
123.04406	3.5
124.01549	2.8
125.02396	1.1
133.02863	5.0
134.03632	25.3
135.04402	13.1
136.01585	1.4
137.02318	3.6
138.03072	1.8
145.02834	3.2
146.03612	2.3
147.04390	2.8
148.01567	26.5
149.02362	5.8
149.05994	6.9
150.03090	2.9
153.01903	1.2
153.05522	7.0
158.03641	1.1
159.04414	4.5
161.02362	16.2
162.03075	2.8
163.03955	11.0
165.05461	1.0
173.02307	1.5
174.03151	1.4
175.03929	3.3
176.04677	5.6
177.01767	4.6
177.05455	2.9
178.02596	1.5
180.04190	4.1
186.62303	0.9
187.03914	1.3
188.04770	8.0
191.07162	2.2
193.04918	1.5
195.06566	2.0
203.07101	2.5
239.07036	2.4
251.07153	1.4
251.76617	0.9
255.06662	1.2
267.06558	3.2
279.06732	4.7
280.07178	2.3
281.08173	2.2
295.06183	7.3
296.06879	35.1
297.07391	3.8
307.06064	1.4
308.06772	1.1
311.09262	31.9
312.09540	3.1
326.07965	5.5
328.09406	1.1
341.10315	28.3
342.10703	2.8
356.08994	39.9
357.09354	4.8
371.11322	100.0
372.11710	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	371.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01590	1.1
66.28381	0.6
69.18400	6.3
69.18800	1.6
69.51671	0.7
71.01270	1.3
75.37813	0.6
85.02852	0.7
85.05318	0.8
98.20564	1.6
101.02340	0.8
136.48766	0.8
140.61781	0.7
168.49620	0.7
191.17458	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1139
Annotation	[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
58.00456	2.0
59.01250	24.8
65.31655	0.7
69.03323	1.6
71.01251	14.3
71.50505	0.9
72.99181	1.2
85.02818	3.8
87.00758	5.2
89.02312	10.9
93.03335	8.7
95.04896	1.8
101.02318	5.4
105.03339	8.0
106.04133	1.8
107.04907	1.0
113.02307	3.9
119.03395	3.6
119.04923	3.1
119.63046	0.9
121.06478	6.6
123.04415	100.0
124.04764	3.2
131.04936	2.2
134.03625	2.2
143.03398	1.3
147.04419	2.6
149.05994	44.9
150.06316	2.0
167.07059	21.0
179.05582	1.8
193.04990	4.1
211.06076	29.0
212.06403	1.5
311.33981	0.9
314.36163	0.8
373.11423	6.6
374.11658	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97748	0.2
55.01764	0.5
57.03307	0.3
58.74849	0.2
59.01250	100.0
60.01587	1.1
63.38036	0.2
69.03314	0.3
71.00850	0.3
71.01250	4.9
72.99204	0.3
73.02807	1.3
80.04949	0.2
83.01276	0.6
85.02819	2.3
87.00764	0.4
87.01577	0.2
87.21854	0.2
89.02314	1.7
94.06499	0.2
95.01258	0.6
97.38020	0.2
99.00772	0.4
101.02324	3.8
104.04970	0.2
108.04424	0.3
111.00838	0.2
113.02320	2.2
113.02966	0.2
119.03376	0.7
122.06010	1.2
125.04073	0.2
132.04449	2.8
135.98224	0.2
139.02626	0.2
139.11206	0.2
139.71448	0.2
143.03433	0.3
145.28635	0.2
148.03998	0.3
151.03889	0.2
152.07063	2.3
161.04445	1.3
179.03397	0.2
262.64053	0.2
273.12445	0.3
285.15320	0.2
297.12515	0.9
313.16565	0.4
315.79111	0.2
331.17712	0.8
341.11465	2.8
342.11804	0.2
373.13922	0.4
373.18610	1.2
373.22714	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.7
58.00455	0.4
59.01249	100.0
60.01585	0.7
63.19080	0.4
66.01958	0.4
69.75577	2.4
71.01250	8.0
73.02813	2.6
80.04915	0.5
83.01262	1.3
85.02826	3.2
89.02307	2.4
95.01280	0.7
96.95878	0.5
99.00763	0.6
101.02331	5.4
104.04935	1.7
107.03645	0.8
108.04458	2.1
108.34824	0.5
113.02338	2.8
119.03407	1.4
122.06007	7.2
124.07549	0.6
132.04451	17.4
132.05423	1.0
133.04765	1.0
148.03957	1.6
150.05452	0.5
151.03998	0.5
152.07079	19.3
153.07359	0.7
159.02969	0.8
161.04495	1.9
176.03363	2.4
208.06174	0.9
269.13101	0.9
273.12567	1.3
274.12756	0.5
285.15305	0.9
297.12411	6.6
298.12796	0.7
305.74100	0.4
313.11951	0.9
313.16656	0.8
331.17618	0.6
341.11401	21.5
342.11749	3.1
373.14005	2.9
373.18753	2.8
374.19302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.7
58.00455	0.4
59.01249	100.0
60.01585	0.7
63.19080	0.4
66.01958	0.4
69.75577	2.4
71.01250	8.0
73.02813	2.6
80.04915	0.5
83.01262	1.3
85.02826	3.2
89.02307	2.4
95.01280	0.7
96.95878	0.5
99.00763	0.6
101.02331	5.4
104.04935	1.7
107.03645	0.8
108.04458	2.1
108.34824	0.5
113.02338	2.8
119.03407	1.4
122.06007	7.2
124.07549	0.6
132.04451	17.4
132.05423	1.0
133.04765	1.0
148.03957	1.6
150.05452	0.5
151.03998	0.5
152.07079	19.3
153.07359	0.7
159.02969	0.8
161.04495	1.9
176.03363	2.4
208.06174	0.9
269.13101	0.9
273.12567	1.3
274.12756	0.5
285.15305	0.9
297.12411	6.6
298.12796	0.7
305.74100	0.4
313.11951	0.9
313.16656	0.8
331.17618	0.6
341.11401	21.5
342.11749	3.1
373.14005	2.9
373.18753	2.8
374.19302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.3
58.81903	0.6
59.01248	3.2
63.44173	0.6
71.01244	1.1
71.09336	1.5
76.35574	0.6
84.67938	0.6
89.02329	0.9
99.08015	0.9
101.02299	1.2
113.09610	1.4
119.04880	0.6
121.02818	1.6
125.02328	0.7
127.11232	0.8
136.03169	0.6
137.02284	0.6
144.57326	0.7
151.00246	1.0
152.07019	0.7
153.01846	3.1
163.03952	1.1
221.19061	35.5
222.19376	2.9
234.77785	0.7
239.20154	2.0
257.21234	2.1
260.89862	0.7
265.08380	0.7
265.18066	22.4
266.18387	1.9
271.02496	1.0
283.19135	20.4
284.19366	1.3
301.20190	100.0
302.20526	8.0
329.06512	0.8
329.19684	7.0
373.09250	1.2
373.18625	1.6
395.23999	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.7
81.01854	0.2
90.43745	0.2
98.22817	0.2
101.05937	1.0
124.07571	0.4
165.10255	0.3
177.39049	0.3
189.10233	0.5
205.85013	0.3
232.10873	9.5
233.11156	0.7
260.10413	0.3
272.17560	0.4
276.09717	0.3
289.18036	1.7
290.18781	2.3
291.19125	0.5
303.45862	0.3
316.16690	1.4
317.16769	0.4
318.18402	0.3
358.21429	0.9
374.24469	100.0
375.24802	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	375.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	92.6
63.18095	5.3
67.48503	5.0
71.01250	57.3
71.21564	9.5
72.39344	5.3
72.99207	6.3
83.01234	5.4
83.06358	5.3
85.02811	8.9
86.03596	5.7
87.00726	7.8
89.02319	100.0
95.01251	5.4
95.04916	5.6
99.20650	4.8
101.02323	45.7
112.04152	5.4
113.02327	35.3
119.03415	38.6
121.06470	10.6
131.03435	8.8
133.06462	8.7
143.03328	9.0
150.03168	7.6
151.07523	12.8
165.05499	18.6
179.05556	29.2
195.06578	98.8
196.06850	7.9
235.64665	5.2
299.12451	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	375.1295
Annotation	9-Hydroxysemperoside
Peak:m/z	Relative Intensity
59.01254	67.9
63.00874	6.1
63.36839	6.9
69.03331	61.4
70.69475	14.2
70.69803	9.3
71.01258	49.4
72.99220	9.3
73.30208	6.4
89.02326	40.3
95.04899	61.5
99.04440	8.7
101.02326	25.7
107.04931	41.8
111.19952	7.8
113.02335	38.6
119.03378	10.7
123.23858	8.0
125.06012	16.4
151.07539	39.8
158.40982	7.4
169.08640	89.0
211.96379	7.2
213.07658	100.0
214.07924	8.4
227.83307	7.4
375.13071	83.0
378.06552	7.4
393.24030	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	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
74.98921	1.7
93.00009	1.9
98.19805	4.9
159.08377	10.2
161.06367	3.1
209.01161	2.9
277.07635	2.2
291.09094	90.9
292.09167	14.1
357.13364	2.2
359.15341	100.0
360.15491	20.0
375.18417	4.8
376.18686	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.1
57.03314	0.8
58.00465	0.9
59.00957	0.5
59.01251	9.8
63.47300	0.3
68.00568	0.3
69.03296	0.3
71.01253	8.6
72.99190	1.6
73.02828	2.6
75.00749	0.4
82.05260	0.3
83.01268	2.4
85.02822	5.3
87.00757	1.8
89.02301	2.3
95.01233	0.6
95.96701	0.3
97.02881	0.3
97.06506	0.3
99.00751	1.1
101.02322	5.3
102.02670	0.3
111.00748	1.0
111.07941	0.3
113.02338	2.9
119.03352	0.6
125.02367	0.3
125.39452	0.3
137.70322	0.3
183.13847	0.3
193.03590	0.4
195.13832	1.3
209.15030	0.3
213.14900	26.6
214.15308	2.2
214.24011	0.3
255.02907	0.3
256.03552	0.3
261.72742	0.3
281.44202	0.3
284.03232	1.9
317.54443	0.8
348.45209	0.4
351.05295	0.5
355.08078	0.3
357.18939	1.4
375.20212	100.0
376.20578	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	375.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.6
57.03309	0.8
58.00463	1.5
59.01251	35.5
59.71561	0.5
59.83956	0.5
69.30255	2.0
69.30672	2.0
71.01256	18.3
72.20535	0.5
72.99173	0.9
73.02821	0.7
73.37645	0.5
75.04232	0.5
83.01235	0.9
85.02829	4.4
85.88775	0.5
87.00734	0.6
89.02317	19.4
90.02593	0.6
95.01265	1.5
99.00770	1.1
101.01634	0.8
101.02315	11.7
113.02322	7.1
119.03394	5.8
159.37634	0.5
159.59969	0.6
164.72542	0.5
195.13841	7.9
196.14119	0.8
197.83446	0.6
213.14844	2.9
255.38522	0.6
261.89636	0.5
357.18839	0.9
367.12207	0.5
375.20215	100.0
376.20538	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	375.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.2
57.03318	0.9
57.33332	0.5
58.00476	2.3
59.01252	68.0
60.01604	0.5
62.89029	0.5
64.16024	0.5
71.01253	28.0
72.01599	0.8
72.99174	3.4
73.02821	1.1
81.87979	0.5
83.01257	2.2
85.02819	7.2
85.03306	0.8
85.04268	0.4
87.00760	1.4
89.02319	20.5
93.03332	1.1
95.01271	2.9
96.85661	0.4
96.96059	0.5
99.00759	1.1
101.02324	18.1
110.67739	0.4
113.02328	9.9
115.65122	0.5
115.91004	0.5
119.03412	7.2
119.04893	2.7
121.02810	0.6
122.84148	0.4
131.03423	0.7
133.02861	2.8
135.04430	3.5
137.02318	0.9
145.02843	1.2
159.04413	0.9
161.02351	3.5
161.04393	0.8
163.03908	2.1
179.03418	5.0
180.03777	0.6
183.13817	0.7
187.07526	0.9
195.13832	9.8
201.05391	0.6
202.06264	0.9
202.85278	0.5
213.14912	4.3
224.08405	0.6
225.09280	0.7
235.07718	0.6
241.08463	0.7
253.08598	1.3
256.07401	0.5
283.09711	0.5
307.39716	0.5
313.10809	1.7
315.08701	0.8
321.45102	0.5
329.10306	3.5
333.18881	0.6
355.33267	0.5
357.09753	2.6
357.19351	0.7
359.12344	6.2
359.62616	2.8
375.10828	6.9
375.20218	100.0
376.11169	0.9
376.20535	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13879	1.9
54.41143	1.4
59.00994	2.0
59.01250	24.4
60.03723	1.7
71.01257	2.2
71.52534	1.9
89.14599	1.6
95.04905	37.5
99.92464	2.0
103.93562	1.6
104.07989	1.8
109.78387	1.7
110.41417	1.6
162.73729	1.6
195.13892	11.6
218.99384	1.9
223.13309	8.1
246.12321	10.5
275.20169	4.9
278.11359	74.8
278.14435	3.6
279.11795	4.7
293.21222	100.0
294.21655	8.5
315.19424	15.9
316.19595	2.6
338.12201	5.1
375.21124	5.5
375.28790	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	46.7
70.00835	7.8
71.01260	55.1
72.18554	4.0
72.99210	4.5
73.02816	5.9
83.01212	4.6
89.02318	62.4
99.00803	6.8
101.02330	23.4
113.02321	16.7
118.27959	4.1
119.03390	17.5
122.65652	4.5
123.04329	4.4
123.08075	4.1
149.02347	16.7
161.02271	4.5
161.04472	8.4
167.03412	22.1
179.03232	5.2
179.05492	24.7
197.08081	18.2
201.02295	4.3
215.03305	18.6
262.06161	12.9
281.88748	4.2
341.10904	100.0
342.11200	8.9
377.08542	55.5
377.14432	9.3
378.06979	36.2
378.11569	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	377.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70994	2.7
59.01251	30.5
68.99684	3.8
69.48325	10.3
69.48742	8.7
69.73593	2.8
71.01250	26.7
85.02821	8.8
89.02299	24.2
95.01235	5.1
98.19875	3.8
99.00764	14.6
101.02316	16.3
105.03333	3.9
107.04887	4.3
109.02795	5.2
113.02318	12.6
119.03381	9.3
121.02792	7.0
123.00741	3.7
123.04406	13.8
135.04391	6.7
139.03896	4.3
149.02344	63.2
150.02710	3.8
151.03925	8.8
161.02298	17.7
167.03409	100.0
168.03787	6.5
179.03386	27.4
179.05554	3.8
197.04456	11.9
215.05563	5.0
266.34933	3.2
356.05743	3.1
377.10904	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	377.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.4
57.03321	1.7
58.69007	0.8
59.01251	38.4
63.10836	1.2
69.48816	2.0
69.49239	4.4
71.01257	18.2
72.99189	1.0
73.02809	5.6
75.00790	1.0
83.01254	2.6
85.02816	9.7
89.02312	8.9
95.01272	1.7
99.00748	1.5
101.02325	11.4
113.02338	7.8
114.58330	1.1
119.03382	3.0
127.07513	2.0
135.04454	1.9
155.10687	9.1
161.02304	1.7
161.04474	2.0
179.03423	2.1
197.11768	11.7
204.91573	0.9
215.12856	13.3
216.13152	1.3
317.16129	2.1
377.18167	100.0
378.18649	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	379.1244
Annotation	Paulownioside
Peak:m/z	Relative Intensity
55.01760	3.6
57.03319	3.8
58.00449	4.9
59.01249	100.0
66.15171	2.2
67.84608	2.1
69.03316	4.4
69.86034	5.5
69.86423	4.7
71.01250	85.0
72.99174	6.5
73.02813	9.2
81.03344	7.0
83.01257	8.9
85.02821	34.9
87.00753	4.9
89.02316	69.6
90.74335	1.8
93.03346	5.4
95.01272	5.6
95.04926	2.3
97.02834	23.7
97.06528	2.5
98.19898	4.2
99.04406	3.9
101.02318	41.3
106.13731	2.2
107.04895	16.1
109.02839	18.5
111.04385	7.0
113.02329	30.8
113.64174	2.3
115.03857	3.6
119.03394	31.8
121.02834	3.9
123.04433	13.1
125.02324	13.9
125.05952	4.8
127.03900	84.6
128.04214	3.1
131.03404	3.6
133.02875	2.4
135.04405	5.7
137.02351	5.9
137.05960	7.8
139.03954	13.7
143.03384	7.1
149.02356	2.8
151.02711	3.0
151.03909	42.0
153.05421	3.4
157.04915	3.2
158.92569	2.2
161.04440	5.9
163.03912	9.4
167.03419	4.9
168.03738	2.6
169.04977	46.5
169.29364	2.0
179.05539	15.0
181.04965	25.4
187.06032	7.6
199.06049	94.5
200.06410	4.9
217.07124	31.0
218.07243	2.4
287.58011	2.6
319.08667	4.3
334.02765	2.1
377.10782	2.1
379.12448	57.5
380.12546	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	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.7
58.00466	3.1
59.01253	41.1
69.03327	17.2
71.01257	27.8
71.50216	1.9
71.50582	1.2
72.98782	2.0
72.99184	37.3
73.02818	2.2
83.01242	3.1
84.02021	1.9
85.02821	5.9
87.00761	2.3
89.02319	22.4
95.01293	1.9
99.00767	4.8
101.02328	16.6
106.04108	1.3
109.06474	26.6
110.06810	1.7
113.02316	8.5
118.92128	1.0
119.03387	12.4
119.08557	1.1
127.07562	5.5
131.03380	1.7
135.08038	3.6
136.95158	1.0
137.09627	8.2
140.67010	1.1
143.03453	1.1
149.04460	1.0
153.09052	1.9
161.04474	1.4
163.07581	1.2
165.43593	1.0
179.05545	3.2
181.07062	1.6
181.08617	16.3
182.08957	1.0
183.01846	1.0
189.24962	0.9
199.09708	100.0
200.10016	7.8
217.11026	1.0
379.16089	73.9
380.16406	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	379.161
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.52515	1.6
57.03336	2.1
58.00465	4.5
58.31662	1.3
59.01252	100.0
60.01245	1.3
60.01580	1.8
69.52609	9.5
71.01252	72.4
72.01598	2.6
72.99182	6.2
73.02817	20.8
75.00754	2.4
83.01255	4.3
85.02812	16.5
87.00732	2.4
87.50459	1.5
89.02317	89.7
90.02650	2.4
95.01269	5.5
99.00760	73.2
100.01105	2.5
101.02331	34.3
113.02328	45.8
119.03384	17.6
127.11878	1.4
131.03423	11.6
135.40706	1.7
143.03430	5.7
149.04462	23.5
161.04488	16.8
172.76939	1.6
179.05553	7.1
191.03967	3.1
191.05557	29.4
230.93138	1.6
233.06670	5.2
247.11909	7.8
258.05212	1.5
295.67087	1.5
336.91861	1.5
379.16110	40.9
380.16504	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	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.6
58.00467	3.8
58.08211	1.3
59.01252	100.0
60.01596	1.8
68.53894	1.3
69.52044	6.1
69.52456	2.4
71.01256	80.6
72.99183	7.4
73.02819	9.0
73.64978	1.4
74.30731	1.3
83.01254	7.2
85.02823	18.8
87.00761	4.9
87.88060	1.4
89.02320	77.0
95.01281	7.0
98.19841	1.7
99.00770	4.3
101.02330	38.6
101.03023	2.1
113.02336	31.3
114.02641	1.4
119.03394	27.3
131.03410	12.1
143.03409	6.3
149.04478	8.3
155.10713	1.9
157.08611	2.0
161.04504	6.9
179.05536	16.4
191.05573	12.2
199.09706	5.1
233.06667	3.3
247.11798	12.2
248.12259	1.8
379.11404	1.1
379.16064	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	379.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09132	1.1
53.06240	1.1
59.01248	10.7
61.98687	1.8
65.27329	1.2
69.03319	1.5
69.28432	11.5
71.01265	2.2
71.04889	27.6
74.02382	2.9
78.95782	1.4
79.02621	1.4
79.95603	5.3
81.03329	1.8
83.04939	1.4
95.04360	1.8
95.04894	10.8
96.95872	1.4
97.05214	1.5
109.02840	1.6
109.06497	7.8
121.06493	2.2
122.03646	7.1
126.22365	1.4
147.08020	2.2
161.06024	2.0
165.09148	7.0
189.12762	9.8
205.15944	6.7
231.13963	2.9
233.11807	5.8
243.17511	5.2
245.15311	1.4
249.14914	8.0
269.15512	2.1
287.16522	48.2
288.16821	5.4
305.17596	100.0
306.17984	8.2
364.00034	1.4
379.21487	7.9
379.28845	1.5
380.24686	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62262	0.2
59.01262	1.0
63.13794	0.1
71.01215	0.2
78.95811	0.2
79.95613	2.0
84.27457	0.2
86.88467	0.1
91.36117	0.1
96.95891	100.0
97.95791	0.4
98.20595	0.3
112.43488	0.2
113.02323	0.2
116.44602	0.2
117.80353	0.1
119.19305	0.1
132.41924	0.2
144.49657	0.2
156.89168	0.2
157.64618	0.1
158.38519	0.2
379.21582	38.0
380.21921	4.7
393.35620	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11098	0.2
59.01249	2.1
63.51411	0.2
71.01263	0.3
71.50970	0.2
73.02807	0.3
74.65746	0.2
78.95766	0.4
79.95612	1.9
80.62713	0.2
89.02319	0.2
96.95889	100.0
98.40977	0.2
101.02316	0.2
102.65315	0.2
152.99554	0.2
287.16672	0.3
305.17624	0.4
339.32507	0.2
379.21582	39.4
380.21854	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	380.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
73.87915	1.6
78.95771	1.6
96.95881	1.8
98.19837	3.7
152.99495	6.9
229.17928	2.2
265.36783	1.9
344.05566	1.9
380.21854	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	381.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	90.0
71.01252	55.8
71.50475	60.3
95.71239	49.2
98.26763	57.4
139.34761	50.3
143.03371	100.0
243.54301	54.3
257.05115	59.4
381.09741	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95269	30.2
52.59626	29.2
59.01245	96.2
69.44429	100.0
69.44836	78.4
71.01251	37.6
74.97028	27.6
165.07098	30.6
193.22687	32.5
196.46748	32.6
268.84988	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.8
59.01252	1.7
63.02269	1.3
65.00197	5.3
67.94115	0.5
71.01247	1.3
71.23042	1.2
83.01257	3.0
84.33481	0.6
101.02245	0.5
104.19586	0.6
105.96297	0.5
107.01269	6.8
109.02879	0.7
123.04398	0.8
124.01549	0.9
125.02351	8.2
138.35446	0.5
143.22493	0.5
151.00279	22.7
152.00685	0.8
159.04433	0.9
161.02370	6.4
165.01825	0.8
167.03418	3.4
169.01387	1.0
171.04407	0.9
172.05197	3.1
173.05951	0.6
175.03944	2.2
177.01747	0.8
183.04446	2.0
184.04803	0.5
185.06053	2.7
186.06793	1.3
187.03891	1.9
188.04761	1.1
196.05301	2.0
198.03215	0.6
199.03943	1.9
200.04712	2.3
200.08292	0.9
201.05399	0.6
201.09178	3.7
210.06766	0.6
211.04070	0.7
211.07574	3.6
212.04762	0.7
213.05510	1.2
214.06203	1.1
215.03462	1.2
216.04169	0.6
223.04015	0.7
224.04796	6.0
225.05324	0.6
226.02654	0.8
227.03433	2.1
229.08665	10.1
237.05437	1.7
238.06261	1.3
240.04193	0.7
241.05009	0.8
248.04932	1.3
249.05510	0.7
251.03340	1.0
251.06978	0.7
253.05048	2.1
253.08636	1.5
254.05743	1.0
255.02997	2.4
255.06596	3.5
261.05618	0.8
262.06406	1.0
263.03418	1.5
264.04196	1.9
265.05054	2.0
277.05115	1.8
277.08603	0.6
278.05814	0.8
279.06732	1.4
281.04498	1.1
283.02420	1.9
283.05658	0.6
290.05710	0.8
293.04498	0.9
295.09763	0.9
296.03314	1.0
296.06592	0.7
305.04556	1.7
306.05261	2.1
307.06079	1.6
308.03159	2.5
309.04044	13.9
309.07336	0.6
310.04410	1.0
322.04825	3.0
323.05573	8.4
324.06082	1.2
333.04208	0.7
334.04767	4.5
335.05374	0.8
337.03079	1.2
337.07153	20.9
338.07599	3.1
351.05032	2.9
352.05841	2.5
354.03992	1.0
363.08853	2.6
366.03732	0.7
381.09790	100.0
382.10138	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	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.9
57.03307	2.8
58.00464	2.1
59.00959	1.4
59.01251	26.4
69.16937	5.2
71.01255	40.1
72.01570	1.2
72.99200	2.9
73.02820	21.0
77.14757	0.6
78.95754	0.9
82.15244	0.6
83.01259	10.5
83.54391	0.6
84.02023	0.7
85.02824	22.8
85.99957	1.7
87.00735	2.2
89.02315	7.5
95.01271	3.2
97.02842	1.4
98.20671	0.9
99.00758	9.8
101.02322	43.4
102.02654	0.8
105.67329	0.6
111.00748	1.8
112.01597	0.6
113.02337	17.8
119.03374	1.1
122.38130	0.6
125.02348	1.2
129.01859	1.2
131.03403	1.8
135.46626	0.6
143.03419	1.4
145.02856	0.7
149.04466	1.0
152.99542	1.2
159.02888	3.4
161.03201	1.2
161.04471	15.5
205.03441	0.9
249.13406	100.0
250.13718	7.8
293.12381	1.3
307.30365	0.6
312.04623	0.6
358.95407	0.7
368.01837	0.6
381.17664	65.6
382.17975	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	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73619	0.4
55.01753	4.9
57.03327	3.8
58.00458	1.8
59.01250	32.7
66.19153	0.5
69.03321	0.7
71.01254	47.7
71.06808	1.0
72.01580	0.7
72.91841	0.5
72.98097	0.4
72.99184	2.9
73.02821	28.0
74.03176	0.4
75.00735	1.2
78.14680	0.4
78.95756	0.7
83.01260	13.1
85.02824	27.5
85.06477	0.7
85.99979	1.7
86.03164	0.5
86.06796	0.5
87.00744	2.7
87.04391	0.4
87.08052	0.6
89.02319	8.9
94.66106	0.4
95.01259	3.7
97.02847	2.8
99.00757	12.0
101.02323	51.3
102.02650	0.9
111.00748	1.7
112.01573	1.3
113.02335	21.9
114.02673	0.6
117.03350	0.5
119.03417	1.1
125.02322	1.7
126.50763	0.5
129.01842	1.4
131.03450	2.3
143.03406	2.0
145.02835	2.2
149.04451	0.5
152.99510	1.1
157.08629	0.9
159.02913	4.7
161.04468	17.9
163.03920	0.7
183.10191	0.6
205.03508	0.8
231.12198	0.6
249.13406	100.0
250.13773	5.6
293.12363	1.3
335.43854	0.5
381.17651	97.8
382.18018	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	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	2.3
57.03309	3.2
58.00458	1.3
59.01250	31.2
69.03320	1.3
69.32091	5.9
71.01253	39.4
72.01572	1.0
72.99170	4.2
73.02817	18.1
75.00722	1.8
83.01252	11.0
85.02822	23.7
86.03144	0.8
86.80386	0.7
87.00738	2.1
87.77135	0.7
89.02320	9.0
95.01239	3.0
95.01765	0.8
97.02831	1.4
99.00769	9.5
101.02322	42.6
111.00760	1.5
113.02331	18.3
117.03322	1.3
125.02293	2.3
127.00275	2.4
129.01801	1.8
130.12857	0.8
131.03374	2.1
135.04402	0.8
143.03441	1.6
145.02846	2.3
145.35765	0.7
149.04443	1.6
157.08456	0.8
159.02856	3.6
161.03224	1.2
161.04478	18.8
163.02632	0.8
177.01830	1.1
195.67958	0.7
203.12927	0.9
205.03539	1.2
249.13403	100.0
250.13777	6.2
255.46178	0.8
257.15619	0.8
279.21851	0.8
293.12436	1.2
374.94293	0.8
381.12756	1.3
381.17664	26.7
382.17908	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	381.1918
Annotation	Viguilenin
Peak:m/z	Relative Intensity
58.00473	0.5
59.01251	3.0
65.67799	0.3
67.08993	0.3
69.03320	1.3
71.01250	3.3
71.52635	0.4
72.99177	0.5
73.02815	1.3
75.80016	0.3
83.01241	0.6
83.04893	0.3
85.02818	1.1
87.00748	0.6
89.02315	0.9
99.00737	1.1
101.02331	1.7
106.01466	0.4
107.34668	0.4
113.02334	1.6
113.05960	1.2
135.08043	0.6
137.09673	2.3
145.21356	0.3
147.28841	0.4
156.87070	0.3
161.04510	0.7
178.34033	0.4
191.14487	0.4
196.42291	0.4
201.11247	0.5
217.15909	1.0
233.19086	0.6
244.15416	0.4
245.19075	1.4
249.13403	2.3
255.17558	0.4
257.15347	0.6
257.19092	0.4
273.18604	1.4
275.20157	0.8
287.49545	0.4
291.19550	0.4
294.19113	0.4
317.44168	0.4
319.19202	1.0
335.18808	0.6
337.20190	27.4
338.20532	3.2
363.16696	0.5
381.19180	100.0
382.19522	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	381.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01751	0.8
65.02677	0.7
66.74051	0.8
70.84142	1.9
75.54805	0.7
79.95612	11.8
80.96411	1.2
94.97961	1.9
95.95109	2.5
96.95885	83.6
100.16660	0.8
122.97449	4.3
213.12393	0.8
381.23145	100.0
382.23410	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	381.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55827	0.6
59.01259	3.0
69.50121	4.5
71.01287	0.7
78.95776	2.2
96.96885	0.6
98.19864	0.8
104.22115	0.6
109.06493	0.9
122.77666	0.7
137.06004	0.8
151.07549	1.5
152.99501	3.8
156.62315	0.6
163.10126	0.6
165.09094	0.7
170.05826	3.9
199.13374	1.3
230.01976	0.6
233.19112	1.5
235.20740	0.7
251.20114	2.7
261.18616	0.7
277.18097	76.0
278.18408	7.0
279.19662	24.5
280.19986	2.2
295.19147	100.0
296.19467	9.7
320.40848	0.7
345.24146	1.3
363.25406	16.0
364.25742	1.9
381.26495	6.5
382.26828	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	3.7
65.37670	1.0
71.52245	1.0
78.95767	2.8
89.68314	1.0
101.28243	1.2
126.30882	1.2
152.99525	3.1
153.12746	2.8
155.88174	1.1
165.12756	5.6
170.05775	3.0
179.10667	9.9
181.12260	35.2
182.12566	2.1
195.10210	3.0
197.11786	1.9
199.13335	100.0
200.13666	5.2
206.90558	1.0
215.12848	4.0
236.04024	1.2
363.25336	4.2
381.26331	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	382.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
63.83501	2.0
69.40383	12.3
71.01250	5.4
89.02290	2.9
100.46431	2.1
101.02306	3.2
113.02335	3.4
161.04449	3.3
297.76016	2.1
323.09628	2.8
341.11057	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	383.0771
Annotation	Nidurufin
Peak:m/z	Relative Intensity
59.01252	4.2
63.02264	1.0
65.00207	0.5
71.01266	1.9
73.02808	0.3
83.01253	0.9
85.02829	0.5
87.00748	0.8
89.02307	1.3
97.02723	0.4
101.02319	1.3
112.99249	0.4
113.02331	1.4
115.47683	0.4
121.30791	0.4
141.35445	0.3
151.00284	1.1
158.01894	0.3
160.01561	1.0
161.02394	0.3
174.03047	0.5
183.04457	0.5
198.03107	1.8
202.02635	1.8
203.03442	0.7
204.57443	0.3
205.05096	0.4
211.03987	0.6
214.02673	0.9
226.02695	4.2
227.03157	0.6
229.17749	0.4
242.02126	2.1
255.02986	1.9
257.04510	0.6
268.03741	3.9
269.04523	1.7
270.01688	9.2
271.02292	1.3
274.01184	0.8
281.04538	2.7
282.05316	1.5
283.02454	0.9
283.05823	0.5
284.03262	1.6
285.04037	21.5
286.04230	2.0
295.02429	0.5
296.03192	1.9
297.04010	11.1
298.04529	2.5
299.01987	0.5
299.05408	0.9
309.04010	1.2
309.20782	0.8
311.05661	3.4
312.05991	0.5
313.03534	29.6
314.04013	3.5
323.09903	0.5
324.02728	13.8
324.06583	0.7
325.03409	9.9
326.03873	1.2
327.05066	2.4
328.05850	8.2
329.06253	0.9
337.62872	0.4
339.05069	38.2
340.05566	5.8
341.06042	0.4
341.10748	0.9
353.03107	1.3
383.07706	100.0
384.08057	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	383.0773
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
56.54233	1.1
59.01247	16.3
63.69690	0.9
65.46764	1.1
68.99703	1.6
71.01266	8.8
71.51418	1.2
73.02818	2.2
82.27280	0.9
83.01251	1.1
85.02835	2.8
87.00760	1.3
89.02332	7.0
101.02312	4.8
113.02325	4.9
119.03429	1.7
121.02848	100.0
122.03162	3.8
123.04311	1.1
145.02892	1.9
147.04404	3.0
149.02310	1.9
161.04492	2.1
179.05582	1.4
180.05656	1.7
181.06483	3.1
191.03456	11.2
225.05580	9.7
251.07095	4.4
291.11139	1.3
295.06055	11.7
311.09299	16.6
312.09555	2.3
313.07108	22.4
314.07452	2.4
323.09885	5.0
339.08737	18.3
340.09048	2.1
341.10803	3.6
383.07690	31.3
384.07977	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	383.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.7
58.00462	1.4
59.01251	18.2
67.92896	0.9
69.03330	1.9
70.81131	2.3
71.01254	5.6
73.02808	2.5
73.17674	0.9
83.01228	1.4
83.04877	1.2
85.02827	2.1
89.02324	8.3
91.03889	16.6
93.06998	1.0
95.04942	1.1
97.02840	3.8
101.02325	3.0
109.06436	2.3
111.08041	41.1
113.02316	4.0
125.09587	1.8
127.07553	1.0
133.03255	1.0
135.04410	1.1
137.09599	2.5
143.03516	1.0
151.11140	1.7
153.12650	1.4
161.04462	1.2
165.12770	2.9
167.10603	1.2
169.12242	8.2
169.92976	1.0
171.10243	5.3
179.05562	1.5
179.10667	2.0
181.12308	2.1
183.13811	1.4
197.11766	100.0
198.12082	7.7
199.13322	7.5
209.11832	1.3
211.13361	6.8
225.14943	1.1
227.12833	9.4
247.20589	2.6
263.20120	6.8
263.54431	1.0
265.18097	4.5
273.18582	3.5
291.16364	2.4
291.19669	56.2
292.20047	6.0
309.20709	98.5
310.21094	10.3
323.09894	3.5
341.10709	2.8
383.11188	2.3
383.24338	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	383.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45699	0.8
57.03321	1.3
58.00452	1.4
59.01249	21.2
59.74125	0.9
69.03314	1.3
71.01250	7.6
73.02819	2.1
83.01247	1.6
83.04881	1.4
85.02832	1.3
87.00753	2.0
89.02307	12.3
91.03882	29.0
97.06466	1.2
101.02327	2.9
109.06465	2.1
111.08039	38.9
113.02337	3.1
119.03396	1.4
125.09502	0.9
127.07526	3.1
135.35703	0.8
151.11211	0.9
153.12733	2.5
161.04372	1.5
165.12881	1.4
167.10619	1.0
169.12234	7.8
171.10191	1.1
179.05577	1.0
181.12253	2.8
183.13860	2.0
193.12299	1.4
197.11760	100.0
198.12061	5.7
199.13344	7.6
211.13336	11.8
212.13573	0.9
227.12830	4.4
247.20610	1.0
263.20178	10.1
265.18152	4.5
273.18643	2.8
291.16290	2.0
291.19656	52.1
292.20026	5.5
309.20703	100.0
310.21054	10.2
323.09882	2.0
341.10797	3.6
345.90732	0.9
358.52939	1.1
383.24561	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41365	1.0
55.93309	1.2
59.01248	10.3
69.28749	2.4
69.29155	9.0
75.00753	6.3
91.01765	4.3
93.03336	10.9
96.48271	1.3
106.19759	1.3
107.04911	2.8
108.02071	2.1
109.02825	4.2
117.03391	1.8
121.02855	17.1
123.04434	8.6
131.04913	1.7
133.02870	4.2
135.04414	2.2
143.04919	2.6
145.02837	4.0
149.02361	11.4
150.03078	1.7
151.03915	9.8
159.04428	5.0
161.02376	3.7
161.06018	2.3
162.03059	1.6
163.03915	2.1
165.01833	9.9
173.02324	8.4
174.03152	4.9
177.01849	4.1
179.03427	100.0
180.03772	4.4
187.03900	5.2
191.03394	4.8
202.02687	9.4
209.04431	2.3
213.10188	1.4
217.05006	15.3
225.50160	1.3
261.44510	1.5
299.01978	1.2
307.05954	2.0
385.09363	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	385.1292
Annotation	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
Peak:m/z	Relative Intensity
51.37195	0.5
57.03350	2.4
57.03568	0.6
59.01239	2.2
65.00191	1.5
68.99690	0.9
71.01231	0.9
78.95805	0.6
83.01216	0.6
86.79234	0.6
89.02306	0.5
92.89482	0.4
95.01272	2.7
98.20564	1.3
101.02316	0.7
107.08576	0.5
108.02037	0.7
109.06466	1.8
113.02325	0.5
121.02880	1.3
122.03627	1.2
123.00754	2.2
124.01550	7.5
125.02324	0.7
125.09618	2.0
133.02803	0.8
133.06464	2.8
136.01567	0.6
137.02341	1.6
137.06076	0.5
137.09604	0.6
139.00273	1.1
149.02341	6.1
149.05971	0.8
149.09610	1.7
150.03149	3.0
151.00262	3.3
151.07547	2.0
152.01053	8.1
161.02341	1.0
161.05856	0.5
165.01843	7.7
166.02220	0.7
175.00275	1.0
175.07565	1.5
176.01067	1.6
177.01849	35.8
177.05447	1.5
178.02202	1.9
178.99803	2.4
185.05908	0.6
187.03891	0.5
191.03333	0.7
191.06999	1.4
192.04192	1.5
192.07837	2.0
193.08627	12.6
194.08965	1.1
203.07100	3.4
204.07901	0.5
205.01286	1.0
205.05000	3.7
219.06554	9.1
220.07356	9.9
221.07944	1.2
233.08177	4.0
247.06107	5.8
248.06476	0.9
252.06372	1.2
281.04449	0.6
285.20807	0.8
298.11987	0.7
309.04105	0.8
311.22253	2.3
324.10141	1.0
326.11423	0.6
342.10904	0.8
352.09747	0.8
357.13412	3.5
367.11856	1.4
385.12912	100.0
386.08527	0.8
386.13300	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	385.187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06902	1.5
55.01740	1.9
57.03317	3.0
58.00451	4.1
59.01251	100.0
67.46163	1.6
69.36292	12.9
69.92675	1.6
71.01256	96.2
72.99190	9.2
73.02823	12.3
74.29552	1.8
79.21866	1.7
83.01241	7.3
85.02820	21.4
86.13272	1.9
87.00749	14.1
87.55262	1.5
89.02319	86.8
90.02673	2.0
93.03339	3.6
95.01244	6.8
99.00765	4.8
101.02326	67.5
102.02604	2.4
111.00775	2.2
113.02340	43.4
119.03399	42.2
120.99555	1.6
129.01846	3.3
131.03401	2.7
135.04382	1.9
137.02351	25.9
137.09662	2.2
143.03419	7.3
149.04506	3.1
149.98438	1.6
151.80029	1.7
159.02939	3.7
161.04454	13.8
161.09627	5.8
165.09097	7.6
175.07593	4.7
176.08293	3.3
177.09192	1.7
179.03494	3.1
179.05556	9.2
186.96320	1.8
187.11200	32.7
188.11497	2.6
189.09149	4.8
190.09883	6.2
202.14589	1.7
203.10724	3.0
204.11543	8.1
205.12291	37.4
215.10809	2.7
219.09996	2.1
222.17690	1.7
223.13409	2.9
233.11787	21.9
234.12192	2.4
240.60191	2.3
247.13400	2.2
259.13345	4.2
277.14575	8.7
335.47980	1.7
385.18658	4.7
405.75259	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.9
57.03322	4.0
58.00473	3.1
58.34324	0.6
59.01252	60.3
60.01583	1.3
67.89327	0.6
69.03339	1.5
69.59142	3.0
71.01254	79.5
72.01582	0.9
72.99173	4.2
73.02816	14.3
74.03174	0.6
75.00734	0.6
83.01263	6.1
83.04890	1.7
84.02052	1.3
85.02822	24.2
87.00753	3.5
87.25522	0.5
89.02318	36.3
92.52586	0.6
95.01270	5.8
95.04913	1.7
97.02831	6.1
99.00755	5.0
101.02326	36.0
105.06980	1.0
107.04926	0.7
108.05691	3.1
109.02832	0.8
109.06477	2.4
111.04406	1.3
111.08071	0.8
113.02328	29.1
113.05963	3.4
114.02676	0.6
115.03925	0.7
117.09927	0.7
119.03397	11.6
121.06453	0.7
122.03632	2.5
123.08033	5.6
124.74126	0.7
125.02353	2.0
125.05975	3.1
127.00259	1.1
131.03300	0.8
135.08098	1.1
136.05185	4.7
137.02371	0.8
137.05980	2.6
137.09564	0.7
138.06773	26.9
139.07562	11.0
143.03395	2.8
149.04433	0.8
149.06068	1.0
151.07553	25.6
152.04694	1.8
152.08339	46.2
153.09122	100.0
154.09457	6.0
159.02890	5.0
161.04459	18.1
161.09636	1.0
163.11177	4.3
165.09134	2.1
167.07048	2.5
179.05551	2.3
187.11177	1.5
189.09161	1.5
190.09908	2.6
205.03598	1.2
205.12282	39.1
206.12592	2.3
223.13342	18.7
224.13715	1.8
372.62106	0.6
385.14410	0.9
385.18726	6.4
386.19305	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22083	0.9
51.76986	0.9
55.01756	2.3
56.79419	0.9
57.03315	3.7
58.00471	6.6
59.01251	100.0
60.01558	1.0
69.31911	6.3
69.32318	1.9
70.17094	0.9
71.01252	78.8
72.01604	2.3
72.99187	6.1
73.02822	9.9
83.01242	5.8
85.02824	20.2
87.00748	12.6
87.04388	1.1
89.02319	82.3
95.01259	5.9
99.00762	4.2
101.02325	53.2
101.03006	2.2
102.02688	1.4
108.08876	1.1
111.00760	3.3
113.02329	34.1
114.02640	1.0
116.47914	1.0
119.03394	40.3
125.02349	2.0
125.42509	1.0
129.01826	3.5
131.03394	2.8
137.09648	1.2
137.69415	1.0
143.03429	6.8
145.76143	0.9
149.04504	1.6
159.02907	2.5
161.04465	13.4
161.05824	1.7
161.09618	5.5
163.11237	1.1
164.77420	1.0
171.08156	2.0
175.07492	2.1
176.08315	4.3
179.05563	8.1
179.10590	1.3
187.11198	28.0
188.11522	1.8
189.09096	2.1
190.09897	7.9
203.10742	1.7
204.11496	11.7
205.12289	36.2
206.12573	2.9
215.10738	3.6
223.13306	2.4
233.11807	19.0
234.12180	1.9
247.13301	1.1
259.13412	5.2
277.14337	7.7
339.37265	1.1
385.18814	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88564	0.9
55.01756	3.4
57.03319	3.9
58.00453	4.4
59.01252	100.0
60.01582	1.8
69.03329	1.1
71.01255	93.5
71.51236	1.5
72.01596	2.8
72.99181	7.9
73.02823	11.7
81.03390	1.1
83.01259	5.5
85.02825	22.7
85.23648	1.1
87.00751	14.7
87.04395	1.1
89.02319	78.6
90.02608	1.2
93.03347	2.6
95.01296	5.6
99.00773	5.3
101.02325	57.7
102.02588	2.3
103.03889	1.2
111.00755	2.9
113.01530	1.4
113.02331	35.5
119.03393	35.5
120.22902	1.0
120.62238	0.9
121.02808	1.1
123.04378	1.7
123.08013	1.3
125.02362	1.7
129.01866	3.3
131.03427	3.3
136.01537	1.3
137.02351	7.4
137.09639	1.5
138.02623	0.9
143.03400	4.7
149.04434	2.3
149.09702	1.3
151.23685	1.1
159.02898	3.3
161.04489	13.4
161.05861	1.6
161.09669	5.2
171.08044	1.5
175.07541	2.5
175.11148	1.7
176.08340	3.9
179.03407	2.3
179.05565	7.4
180.36107	0.9
181.71661	1.0
186.06789	1.0
187.11223	33.9
188.11501	2.9
189.09178	2.7
190.09949	7.2
203.10800	1.4
204.11490	9.8
205.12288	33.5
206.12711	2.1
215.10744	2.5
219.10286	1.5
223.13249	2.5
233.11815	21.5
234.12071	1.3
239.05652	1.8
259.13455	5.2
265.09229	4.2
277.14389	7.1
385.11417	3.7
385.18591	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	385.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.0
57.03317	3.7
57.65757	0.7
58.00460	5.1
59.01251	100.0
60.01575	1.2
66.27017	0.8
70.89275	1.3
70.89612	1.5
71.01254	98.2
72.01573	1.9
72.99177	8.4
73.02818	13.5
75.00752	1.9
82.75887	0.8
83.01252	6.9
85.02826	24.9
86.07928	0.8
87.00754	15.4
87.04388	0.9
89.02316	85.5
90.02650	1.4
95.01272	5.3
97.02869	1.0
99.00770	4.3
101.02325	63.5
102.02674	1.3
103.33612	0.8
107.90800	0.8
111.00764	2.6
113.02331	38.4
114.02642	1.1
119.03397	40.0
123.07998	1.6
127.00262	2.0
129.01842	3.2
131.03389	4.1
137.02324	1.5
137.09610	1.6
139.00197	1.0
143.03384	4.6
149.04472	3.0
149.09593	1.2
152.08392	0.9
159.02914	2.6
161.01225	0.7
161.04474	16.4
161.09622	4.2
171.08168	1.1
175.07558	2.3
175.11186	1.3
176.08292	3.9
176.83951	0.9
179.03406	0.9
179.05547	8.2
187.11221	35.6
188.11560	3.4
189.09143	3.6
190.09941	7.3
203.10706	2.5
204.11507	12.0
205.12282	37.7
206.12633	3.4
215.10739	4.5
219.10204	1.1
223.13295	1.7
233.11801	21.9
234.12233	2.0
259.13373	5.7
262.52081	0.9
277.14450	10.1
385.18637	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	385.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86880	0.8
55.01745	1.9
57.03325	5.1
58.00459	1.4
59.01250	100.0
60.01593	1.0
68.60203	0.8
69.03314	1.3
69.27567	5.8
71.01254	38.4
72.03780	0.8
72.99176	3.4
73.02815	6.4
81.48597	0.8
83.01257	4.9
85.02818	14.0
87.00745	4.9
87.01201	0.7
89.02319	14.1
95.01302	2.8
97.02829	1.0
98.19836	1.8
99.00732	4.0
101.02324	17.9
102.02691	0.8
107.04904	1.0
108.02042	1.5
109.02857	0.9
110.13885	0.7
111.08018	1.2
112.14064	0.9
113.02332	16.1
113.03059	1.1
119.03378	6.4
135.04445	1.4
152.01112	2.1
153.01831	1.0
153.09006	0.8
161.02351	1.1
161.04466	4.8
163.11179	12.3
165.09146	2.5
166.67979	0.7
167.03296	0.7
171.08171	1.3
181.12263	26.8
182.12627	2.3
187.11229	4.3
189.12764	5.5
190.09875	5.4
204.11464	1.8
205.12265	7.7
223.13474	2.6
230.25742	0.8
247.13309	1.9
269.29541	0.8
326.07806	3.4
385.18643	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87307	1.0
55.01765	1.9
57.03318	1.3
58.00469	5.2
59.01250	29.3
65.00198	4.7
65.03828	1.2
68.12271	1.0
70.17194	3.5
71.01254	30.6
72.99183	3.1
73.02824	4.9
75.33132	1.0
80.02564	1.9
81.03318	3.3
83.01270	2.5
85.02834	10.4
87.00743	2.4
89.02313	21.3
89.03812	1.2
91.01788	6.0
91.05373	1.4
93.03329	6.4
95.01280	1.5
95.04914	1.8
97.02821	1.2
99.00774	3.5
101.02329	20.8
105.03326	1.0
106.04121	2.9
107.04905	8.0
108.02063	3.5
109.02820	8.0
113.02333	10.6
117.03357	1.6
119.03407	8.7
119.04926	3.8
121.02848	9.6
121.06478	5.4
123.04419	2.9
125.02324	1.1
133.02824	10.3
134.03630	2.5
135.04410	14.2
143.03342	1.7
145.02831	2.0
147.04434	4.9
147.47047	1.0
149.02345	7.1
150.03127	8.8
151.03877	3.7
159.02879	1.5
161.02409	1.6
161.04459	9.1
163.03932	12.8
164.04648	3.8
165.01823	1.9
167.04956	1.9
175.03871	1.2
177.01816	1.2
179.03377	6.4
179.05548	1.9
189.18283	0.9
189.89226	1.1
191.03389	2.3
193.04991	100.0
194.05348	6.1
197.09615	1.0
209.06041	1.4
211.07552	2.4
225.15068	1.5
269.08197	1.6
273.49677	1.0
288.09583	1.0
316.85306	1.0
343.08234	16.0
344.08276	2.0
368.81653	1.1
387.20267	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49476	2.5
55.01757	2.7
55.43323	2.6
57.03344	3.0
58.00459	10.4
59.01249	55.8
67.99528	2.6
71.01253	37.0
71.32852	5.4
72.99201	4.2
73.02811	10.2
77.32601	2.6
78.95766	4.8
83.01259	4.9
85.02819	14.0
87.00735	4.7
89.02319	23.8
91.01785	4.6
91.05384	6.5
93.03312	4.4
96.96788	2.6
99.00741	8.1
101.02340	16.9
107.04871	6.6
108.02050	5.6
109.02853	25.8
113.02351	13.1
113.87082	2.5
119.03371	7.4
121.02840	7.6
123.04408	4.1
133.02818	3.5
135.04428	6.5
137.02292	5.7
147.04442	7.5
149.02318	7.9
151.03914	7.4
152.01071	4.0
153.01805	16.6
161.04468	4.6
163.03889	17.1
163.11206	6.5
164.04692	7.9
165.01805	3.9
177.05476	8.1
179.03418	19.9
191.05502	3.2
193.04990	100.0
194.05281	5.7
203.07007	5.4
221.08078	7.6
343.08191	57.3
344.08597	3.6
369.13156	3.2
387.07156	34.3
387.15723	4.3
406.00281	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	387.12
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89770	0.6
59.01252	11.2
63.29619	0.6
69.99997	0.6
70.10241	0.6
71.01255	6.4
72.48575	0.6
72.99171	0.7
73.02824	0.8
75.14667	0.6
77.01154	0.6
80.04914	0.9
82.02831	0.7
83.01279	0.9
85.02837	2.9
87.00710	0.8
89.02313	4.1
99.00732	0.9
101.02323	5.0
106.02855	0.6
108.04455	4.1
113.02313	2.8
119.03381	2.4
122.05981	2.9
123.04395	2.1
131.03517	0.8
131.14520	0.6
132.04440	2.7
134.03610	0.7
134.06049	0.8
135.04422	1.1
136.01547	1.1
136.03943	1.4
137.02402	0.8
139.08388	0.7
146.02321	0.7
147.03096	0.8
148.03918	0.7
151.03899	1.2
151.37198	0.6
153.05440	1.6
158.05846	0.6
159.03098	0.9
159.64389	0.6
160.02728	1.0
160.03957	16.8
161.04459	3.0
162.05511	1.4
164.79579	0.6
174.05533	1.0
175.02660	1.7
176.03485	0.6
176.07060	0.7
181.04955	0.9
188.03467	11.1
188.05144	0.9
189.03899	1.0
190.05063	1.9
202.05014	0.9
204.02933	5.7
210.05475	0.6
210.39276	0.6
211.08720	1.2
211.12318	1.0
212.07144	1.2
218.04527	12.5
219.05035	1.4
220.06067	1.5
223.08722	1.0
224.07126	0.7
224.09259	0.8
227.04567	0.6
227.08185	1.5
237.06517	0.7
239.08134	0.8
239.11798	3.9
240.05304	1.8
240.10257	0.8
241.06197	1.2
243.11351	2.1
251.08286	2.6
252.06619	0.9
252.09000	2.7
253.06207	2.2
254.06949	2.1
255.07739	2.6
255.11296	0.9
265.09692	0.8
266.08160	0.8
267.04227	1.0
267.07864	2.0
267.11359	14.9
268.09830	3.6
269.09311	3.4
280.05142	0.7
281.05695	10.8
281.08987	1.0
282.06049	1.4
283.07343	2.3
283.10913	4.2
293.09277	2.1
294.07144	0.7
295.07312	3.7
296.07935	5.6
309.08743	2.9
311.10364	100.0
312.10684	11.0
315.09872	1.1
337.08270	10.1
338.08627	1.1
343.12939	2.7
345.15851	0.7
355.09335	34.8
356.09677	4.5
356.66861	0.8
369.11057	1.4
387.11743	11.9
387.16180	1.2
387.20197	1.0
388.11963	1.1
390.32761	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08289	0.2
55.01741	0.2
59.01250	5.4
61.96524	0.2
63.00876	0.2
67.01759	0.5
68.99657	0.3
69.03327	0.4
69.45676	0.2
71.01252	4.2
71.52872	0.2
71.53299	0.3
72.83064	0.2
72.99197	0.5
73.02823	0.9
81.03329	0.5
83.01299	0.3
83.82779	0.2
84.02049	0.7
85.02840	1.7
87.00758	0.9
89.02316	2.3
93.03326	1.1
95.01259	1.7
95.04891	0.5
97.02855	0.4
99.00751	0.3
101.02311	2.3
107.04929	0.5
108.02062	2.3
109.02841	3.7
109.06458	0.2
111.00791	0.4
113.02334	1.6
119.03385	0.7
121.02843	5.7
121.06474	0.4
121.10054	0.2
122.03651	1.7
123.00758	4.0
123.04440	1.3
123.08028	0.3
124.01562	1.1
125.02349	1.4
129.46704	0.2
133.02829	0.6
134.03632	0.3
135.04449	0.6
135.08162	0.3
136.01558	71.6
137.02371	15.8
138.02722	0.4
139.00275	0.3
139.03914	0.9
147.04373	0.4
149.02365	1.4
149.05992	1.0
150.03067	0.4
151.00287	15.8
151.03908	100.0
152.01068	2.0
152.04237	4.9
153.01811	0.5
154.02609	0.7
159.04489	1.1
160.05196	1.4
161.02354	1.3
161.04430	0.9
161.05959	0.4
162.03140	1.7
163.03911	1.6
163.11185	1.7
164.04622	0.3
164.11511	0.2
165.01849	0.7
166.02617	40.0
167.03346	3.0
173.02328	0.6
174.10844	0.2
175.03882	1.6
175.07532	1.7
176.04613	0.5
177.01837	2.6
177.05505	1.9
178.02496	0.7
179.03351	1.4
179.05411	0.3
179.06908	0.4
181.04979	65.8
182.05354	2.5
182.65878	0.3
183.10196	0.5
184.03674	1.0
187.03911	0.7
188.04733	0.4
189.05473	0.9
190.02728	0.4
190.06216	1.2
191.03445	1.0
192.04190	0.6
193.04970	0.7
195.02968	0.8
203.03369	0.6
203.06967	0.5
204.04012	0.4
205.04987	1.7
205.08594	1.6
206.05582	0.4
207.06555	0.7
207.10149	0.7
209.04475	0.3
219.06607	0.4
221.04329	0.4
225.14984	0.4
271.06052	0.7
271.09561	0.3
281.08130	0.3
284.06564	0.3
286.08530	0.5
299.09302	0.8
311.09311	0.5
315.18018	0.5
326.11404	0.5
327.08600	0.6
329.10333	2.7
339.08722	0.3
341.13757	1.2
357.09753	21.2
358.10056	2.3
372.12119	14.2
373.12338	1.5
387.14474	39.4
388.14841	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	387.1561
Annotation	GS-3
Peak:m/z	Relative Intensity
52.26062	0.3
59.01242	1.2
69.50403	1.5
71.01257	0.3
71.72463	0.3
73.02832	0.4
83.58137	0.3
85.02812	0.4
92.04974	0.4
94.06478	1.3
94.75224	0.4
98.20527	0.6
101.02328	0.4
104.04967	0.4
106.06506	0.5
107.03649	8.2
108.03966	0.4
113.02296	0.3
120.04445	1.0
121.02854	0.3
121.05189	0.8
122.06005	47.4
123.06349	1.8
124.07558	0.6
130.02861	2.9
131.03664	4.7
132.04453	8.9
133.04785	0.4
134.06053	1.5
139.02654	3.3
146.06026	2.5
147.03162	1.2
148.03978	1.9
149.04305	0.4
150.05473	0.9
152.07076	100.0
153.04214	0.5
153.06436	0.3
153.07442	4.1
158.02382	11.5
159.02707	0.4
160.03967	1.4
161.04520	0.3
162.05511	5.4
164.07045	1.0
166.05037	0.9
174.01730	0.3
175.02589	0.6
176.03429	2.7
176.25453	0.3
179.03404	0.3
190.05020	47.8
191.05344	2.4
192.06601	1.3
201.07346	0.4
202.04976	0.6
204.06639	0.4
205.10478	0.3
222.07663	43.5
223.08029	3.0
225.14780	0.3
234.07715	1.7
249.10393	0.4
250.07384	0.3
251.08200	0.4
265.09756	1.0
277.05777	0.3
277.09583	0.3
293.09222	0.3
295.10828	0.3
296.11523	0.8
297.12292	0.5
323.10263	0.5
340.10648	0.4
355.12930	5.5
356.13443	0.4
359.16122	1.5
387.15598	80.8
388.15942	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	387.1658
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.05943	0.5
56.15120	0.6
57.03312	0.9
58.00460	1.9
59.01250	17.7
61.98708	0.6
63.35221	0.6
66.55677	0.6
71.00366	1.2
71.00894	0.9
71.01254	10.6
71.04853	0.6
72.99171	1.6
73.02809	6.0
80.70291	0.6
83.01250	1.1
85.02828	6.1
86.03619	1.4
87.00740	0.7
87.04375	3.6
89.02326	2.9
91.01800	0.8
95.01260	0.9
95.04900	2.3
97.06425	0.8
99.00752	1.3
99.04391	4.4
101.02319	7.5
102.60548	0.6
108.02059	2.4
109.02883	0.9
113.02303	2.2
121.02870	0.9
123.00777	1.8
123.04391	1.4
127.60305	0.6
135.04375	1.0
136.01523	1.7
137.02354	1.0
138.03058	1.1
151.03893	1.7
161.02428	0.6
161.04437	1.4
162.03038	0.7
163.11169	7.1
165.01753	0.7
177.05431	1.3
177.12720	1.0
181.12248	27.3
182.12579	2.0
195.13832	10.5
207.10190	3.2
208.41179	0.6
223.13402	3.0
225.11275	100.0
226.11604	7.4
239.12878	5.2
249.11336	0.8
267.12363	18.2
268.12628	0.7
297.13318	3.0
327.08575	1.0
327.14487	15.1
327.18130	1.3
328.15009	1.1
345.19354	0.9
370.69556	0.7
387.11029	1.8
387.16394	9.0
387.20642	1.1
394.34204	0.6
400.30704	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89816	0.9
55.01755	2.7
57.01403	0.9
57.03309	1.5
58.00467	5.6
59.01250	100.0
60.01602	1.4
61.98740	0.9
62.44861	0.9
69.47769	2.3
69.48167	4.9
71.01254	67.2
72.99163	5.5
73.02811	3.9
75.00763	1.5
77.98421	0.9
81.03335	1.1
82.33151	1.0
83.01260	3.9
83.04906	1.3
85.02826	14.4
87.00742	4.4
89.02319	66.3
95.01268	4.9
95.04915	2.2
99.00747	2.7
101.02322	34.0
107.04924	4.9
107.08548	2.3
113.02330	27.7
113.03074	1.9
119.03396	26.0
121.02886	1.4
121.06571	1.2
121.22304	0.9
125.02322	1.4
131.03397	2.4
133.06482	0.9
135.08040	3.4
137.02335	1.1
143.03395	3.8
148.08856	4.0
149.04443	1.9
151.03888	1.0
161.04469	8.7
161.09595	1.1
163.11197	98.2
164.11548	5.3
179.03384	2.0
179.05525	12.2
193.05064	5.8
203.07295	1.0
207.10233	12.0
208.10468	1.0
235.06111	1.4
258.10013	1.0
343.08231	3.8
387.07156	1.6
387.16370	9.9
387.20554	2.9
403.89230	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1664
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
51.06109	0.6
54.84365	0.6
55.01751	1.0
57.03325	1.7
57.34578	0.6
58.00470	2.2
59.01252	100.0
60.01598	2.0
61.32238	0.7
65.15079	0.6
69.03323	0.9
71.01254	51.1
71.52286	0.9
72.01604	0.9
72.99183	3.5
73.02819	31.7
83.01255	10.8
85.02830	9.3
87.00763	2.9
89.02319	22.2
95.01290	2.3
97.02844	1.6
99.00783	2.3
101.02325	37.6
113.02330	14.1
119.03391	6.7
121.10125	15.8
122.10445	1.3
125.02349	1.9
131.03430	2.1
136.01543	3.3
137.02359	1.4
143.03416	3.4
149.04527	1.3
151.00255	1.4
151.03932	4.7
161.02371	1.5
161.04437	6.9
161.05449	0.6
162.05525	0.7
165.09146	6.7
166.02635	1.6
166.05003	1.1
166.09457	1.1
177.05453	1.1
179.03433	1.2
179.05533	1.9
181.04953	2.1
183.10239	1.3
188.61066	0.6
194.54340	0.8
208.67786	0.6
221.04230	0.7
256.22678	0.6
311.10416	2.4
327.08383	0.8
327.14368	4.0
335.47830	0.7
345.15561	11.8
346.15796	1.2
351.63205	0.8
355.09546	0.8
357.09912	0.6
387.16592	60.3
388.16992	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	387.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	3.3
56.89181	0.5
57.03316	3.3
58.00473	4.8
59.01249	99.7
60.01590	1.1
67.01719	0.5
69.03313	1.1
69.29029	1.2
69.29427	3.9
71.01253	100.0
72.01584	1.9
72.99181	8.4
73.02818	13.5
73.03200	1.1
75.00729	1.5
81.03347	0.7
83.01258	7.6
85.02412	0.6
85.02823	28.2
87.00761	5.2
89.02316	89.4
90.02651	2.2
95.01266	6.4
95.04909	0.8
97.02824	1.1
99.00765	5.5
101.02322	70.0
102.02677	1.8
102.27924	0.5
111.00747	1.3
113.02332	46.2
114.02676	0.9
119.03395	38.6
120.03734	1.3
123.08092	1.3
125.02351	1.6
129.01863	1.5
131.03387	3.5
136.05223	1.3
136.88805	0.6
137.05928	0.7
138.06761	1.1
139.00330	0.6
143.03412	6.8
149.04457	3.4
151.07568	1.4
152.08340	9.9
153.09073	2.2
155.10730	0.8
159.02928	4.8
161.04466	22.0
161.05814	1.1
162.04869	0.7
163.11217	2.8
165.01906	0.6
179.05548	9.7
189.12796	3.1
205.03453	1.1
207.13857	5.4
210.12599	0.6
225.14896	7.9
247.10477	0.7
281.27295	0.5
387.20270	68.8
388.20447	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2025
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01755	3.3
56.89181	0.5
57.03316	3.3
58.00473	4.8
59.01249	99.7
60.01590	1.1
67.01719	0.5
69.03313	1.1
69.29029	1.2
69.29427	3.9
71.01253	100.0
72.01584	1.9
72.99181	8.4
73.02818	13.5
73.03200	1.1
75.00729	1.5
81.03347	0.7
83.01258	7.6
85.02412	0.6
85.02823	28.2
87.00761	5.2
89.02316	89.4
90.02651	2.2
95.01266	6.4
95.04909	0.8
97.02824	1.1
99.00765	5.5
101.02322	70.0
102.02677	1.8
102.27924	0.5
111.00747	1.3
113.02332	46.2
114.02676	0.9
119.03395	38.6
120.03734	1.3
123.08092	1.3
125.02351	1.6
129.01863	1.5
131.03387	3.5
136.05223	1.3
136.88805	0.6
137.05928	0.7
138.06761	1.1
139.00330	0.6
143.03412	6.8
149.04457	3.4
151.07568	1.4
152.08340	9.9
153.09073	2.2
155.10730	0.8
159.02928	4.8
161.04466	22.0
161.05814	1.1
162.04869	0.7
163.11217	2.8
165.01906	0.6
179.05548	9.7
189.12796	3.1
205.03453	1.1
207.13857	5.4
210.12599	0.6
225.14896	7.9
247.10477	0.7
281.27295	0.5
387.20270	68.8
388.20447	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	4.2
57.03324	7.7
58.00472	3.6
59.01252	73.3
60.01577	1.0
61.25803	0.4
64.59627	0.4
69.03329	1.2
69.16393	0.5
69.59327	3.2
71.01255	100.0
71.04882	1.2
72.01595	1.8
72.99185	6.9
73.02823	17.6
75.00764	2.2
78.87213	0.6
78.95780	0.9
81.03326	0.8
81.06985	0.9
83.01262	6.9
83.04899	5.9
84.02026	0.5
85.02824	33.0
86.03165	0.9
87.00750	4.9
89.02319	44.0
90.02692	0.5
95.01273	6.3
95.04929	0.6
95.08540	0.6
96.96821	0.5
97.02837	2.2
99.00762	8.8
101.02328	46.1
102.02686	1.4
104.21214	0.5
105.01822	0.7
105.06950	0.7
107.04924	2.0
111.08068	0.8
113.02338	35.6
114.02691	1.3
119.03400	17.4
120.03809	0.7
121.06512	2.8
121.10133	2.2
123.08058	53.8
124.08408	2.0
125.02333	1.5
125.05946	0.5
128.03378	0.7
129.01854	1.0
131.03389	1.5
137.02339	0.9
137.06114	0.6
137.09636	15.2
138.06754	2.0
138.09973	0.9
143.03442	3.9
145.10156	1.2
147.08078	1.0
147.11717	0.6
149.04478	1.4
149.05888	0.7
153.09128	2.6
155.08583	1.9
155.10533	0.6
158.39992	0.5
159.02911	5.6
161.04466	18.5
162.04800	0.8
163.11205	43.7
164.11584	2.9
171.11771	3.6
173.09637	4.7
179.05531	3.8
189.12782	64.2
190.13100	4.5
205.03398	1.3
207.13853	82.8
208.14221	5.5
223.13292	0.7
225.11363	1.1
225.14911	9.9
226.15338	0.7
306.13428	0.9
307.14087	0.6
314.74692	0.6
387.16476	2.5
387.20743	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	100.0
62.97511	38.0
69.83387	34.6
71.01247	75.7
71.08729	35.0
71.88219	34.4
76.17515	34.8
85.27838	36.4
89.02276	48.6
96.33810	36.6
98.20587	63.8
180.56067	43.0
219.98019	45.9
227.92680	44.1
261.96375	42.0
327.91949	49.4
339.38947	46.1
347.97791	42.3
350.22443	47.1
373.56491	44.1
385.57095	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	1.1
57.03312	0.9
58.00460	0.7
59.01250	17.4
61.46594	0.6
69.03316	2.1
69.81769	1.5
69.82160	1.4
71.01257	10.7
72.99180	2.9
73.02812	1.8
81.03325	0.8
83.01252	1.6
83.04897	8.1
85.02839	4.5
85.06461	3.7
87.00755	8.9
89.02318	9.7
95.01259	1.6
95.04894	1.1
96.95901	1.7
97.06480	5.4
99.00764	1.2
101.02316	7.8
107.67576	0.6
109.02872	0.6
111.08051	0.7
113.02351	4.3
119.03430	5.1
123.08044	2.1
130.08644	1.3
135.26926	0.7
137.09641	1.7
139.11188	80.3
140.11526	4.7
143.03442	0.7
153.12726	2.1
161.04459	1.4
165.09117	3.3
167.10655	6.4
179.03456	1.5
179.05548	0.8
179.10722	0.9
181.12296	2.2
183.10193	100.0
184.10532	6.5
185.11823	0.7
207.10196	1.4
209.08167	2.1
225.11302	2.7
227.07030	3.5
389.13989	1.5
389.18146	2.2
390.16452	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01601	2.2
61.98703	2.8
70.80283	4.2
70.80638	4.7
71.01250	13.7
71.58092	2.1
72.23093	2.1
73.02815	3.2
80.77032	2.4
85.02821	5.2
89.02319	7.0
93.03323	3.1
101.02353	5.2
113.02322	4.9
119.03407	2.7
123.04404	40.7
125.02355	2.5
134.19373	2.4
135.60106	2.6
149.05998	7.6
161.04463	5.7
163.36456	2.1
167.07076	15.6
207.81424	2.1
210.05550	5.3
273.11542	2.6
374.62872	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	389.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.98696	2.2
69.77781	1.8
70.84915	3.0
71.01253	22.9
72.99172	2.2
73.02804	2.3
74.64969	1.8
80.05696	1.7
85.02806	5.4
89.02319	29.3
101.02337	12.7
113.02323	10.3
119.03391	11.3
123.04417	23.7
124.04782	2.7
131.03319	1.7
142.23993	1.8
143.03391	2.3
149.05931	4.6
159.04590	2.0
161.04433	6.5
167.07053	14.5
169.77951	1.8
179.05559	11.2
191.74471	1.9
223.03146	1.6
329.12363	3.5
386.83936	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	389.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
66.04567	1.6
70.74505	3.9
71.01246	5.2
86.77965	1.5
89.02310	6.3
100.77486	1.6
101.02297	2.5
103.64539	1.3
119.03399	3.0
167.07080	6.0
179.05551	2.6
187.68163	1.7
217.79095	1.5
288.35883	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	389.1818
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03315	0.9
58.00454	0.5
59.01248	6.1
67.44565	0.4
71.01244	4.0
72.99226	0.5
73.02811	0.5
74.40528	0.4
75.90909	0.4
81.08702	0.4
82.41067	0.4
84.71785	0.5
85.02838	1.4
85.39572	0.4
89.02338	2.2
89.04016	0.4
93.83615	0.5
95.01260	0.7
101.02338	1.5
111.08044	1.5
113.02316	2.7
119.03394	1.1
145.02885	1.6
161.04468	0.7
163.03877	0.6
165.12750	22.2
166.13132	0.8
179.05505	0.5
183.13826	76.8
184.14163	4.7
192.10814	0.4
197.15463	2.4
207.13860	1.5
209.11758	2.6
225.15024	2.1
227.12839	100.0
228.13179	7.3
229.48482	0.6
251.12837	3.7
258.18195	0.4
269.14008	2.4
389.18115	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1817
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03319	6.8
59.01248	100.0
67.88184	2.4
69.84930	5.0
69.85319	5.7
71.01250	63.0
72.99160	6.3
73.02816	50.5
75.75135	2.2
83.01276	4.2
85.02823	20.3
87.00744	7.0
89.02316	42.2
95.01247	6.7
99.00739	3.4
101.02312	44.0
113.01771	2.1
113.02335	22.0
119.03396	23.1
133.10158	2.6
135.08026	4.0
135.11684	12.8
147.03070	2.5
147.11635	10.1
149.09581	4.8
161.04456	13.1
179.05537	3.2
197.59262	2.9
203.32306	2.2
206.04532	8.9
207.40666	2.7
209.11748	12.9
219.19101	2.5
227.12863	5.0
329.15884	3.1
389.14096	3.2
389.18054	87.3
390.18393	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	389.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	2.9
57.03328	2.7
58.00468	5.3
59.01252	100.0
60.01590	1.6
71.01255	88.8
72.01594	1.7
72.99181	7.3
73.02824	11.0
75.00750	1.4
83.01260	7.5
85.02824	23.2
87.00751	6.3
89.02319	94.3
90.02663	1.9
95.01258	5.0
97.02885	0.8
98.48630	0.9
99.00766	4.9
101.02325	72.9
102.02672	2.1
110.64352	0.9
113.02335	41.6
114.02695	1.5
119.03391	51.0
120.03770	1.5
125.02327	2.7
131.03400	7.5
143.03409	11.9
149.04469	4.7
159.02856	4.5
161.04472	21.7
179.05540	22.8
188.75984	1.0
227.16415	1.6
389.17966	3.0
389.21967	35.6
390.22308	5.2
404.23972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06884	13.0
59.01255	100.0
68.96310	10.9
70.84992	18.8
70.85332	22.5
71.01257	13.8
74.61578	10.0
78.61032	11.1
80.96385	48.6
89.02293	14.4
94.97993	12.2
113.02319	18.8
164.98546	22.0
194.23857	11.4
197.11711	35.1
255.23245	44.7
299.04401	26.2
389.19025	42.2
390.19745	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17328	3.2
59.00960	5.0
59.01252	100.0
59.66824	3.8
69.03322	6.4
71.01254	9.4
71.38696	3.7
80.96390	39.7
85.02856	3.2
94.97956	7.8
115.97756	3.5
134.97458	3.3
148.99057	5.0
152.98407	4.8
161.83928	3.9
164.98526	10.0
179.10674	6.5
197.11835	22.9
225.00684	14.6
237.22186	7.3
255.23273	27.9
273.35141	3.6
281.01453	3.8
299.04599	17.4
342.38937	4.0
389.19052	39.0
389.69308	10.4
390.18869	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	389.291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18595	6.1
59.01252	100.0
70.99686	11.6
71.00018	8.4
78.25448	5.9
80.20447	6.1
97.54937	5.7
150.14517	6.5
210.09111	6.5
259.32211	6.1
263.44580	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	390.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	20.7
61.98702	32.6
65.76227	1.6
69.03342	3.8
71.01253	3.6
71.50308	1.9
73.02825	1.8
78.95773	20.1
79.95601	2.4
83.76845	1.5
110.98405	13.9
167.01068	15.7
167.10666	4.5
179.14320	6.6
185.00172	1.5
185.02109	4.5
195.13852	11.7
204.45226	1.6
205.12244	9.3
223.13350	100.0
391.15326	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	391.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72342	0.4
59.01257	2.3
64.41978	0.3
66.09438	0.4
69.03340	2.4
71.04887	0.9
71.27840	0.5
72.70166	0.4
74.17436	0.4
75.02090	0.5
78.95777	6.4
82.98431	0.3
83.04903	0.4
85.06439	0.8
93.03323	0.5
94.47115	0.4
95.04893	0.5
103.34058	0.4
109.06415	0.4
110.98418	4.6
149.09605	1.0
152.99481	0.5
161.13281	0.8
167.01030	1.6
167.10712	3.5
179.10687	0.9
179.14349	3.3
185.02119	6.6
195.13826	11.2
196.14221	0.6
205.12245	9.8
206.12628	0.8
213.16261	0.4
223.13342	100.0
224.13690	8.0
341.54630	0.4
391.15237	7.5
392.15604	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97490	0.5
57.03330	0.6
58.99293	0.6
59.01246	3.5
64.59614	0.6
69.03333	2.3
69.70454	0.5
70.46616	0.5
71.04887	0.8
78.95774	20.9
89.93896	0.5
104.22240	0.6
104.97366	1.0
110.98407	14.9
118.94901	0.5
136.99983	0.6
149.09595	1.0
149.53966	0.5
167.01051	17.9
167.10663	4.5
177.12737	1.2
179.10680	1.6
179.14359	5.5
185.02130	5.4
195.13844	12.2
196.14209	0.9
205.12270	12.0
206.12706	0.9
223.13353	100.0
224.13681	8.0
229.34711	0.7
360.56668	0.6
391.15262	23.2
392.15564	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	391.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17541	2.0
55.83651	1.8
59.01253	100.0
69.66822	12.1
71.01250	7.4
83.01263	3.1
85.02848	2.9
86.82368	2.0
94.83820	2.5
98.19894	3.9
101.02357	4.7
107.04915	1.7
113.02331	3.4
161.04457	8.4
167.79082	1.8
328.20547	2.1
391.12244	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	391.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
66.43081	2.5
68.64814	2.9
70.52863	7.0
70.53220	3.0
71.01243	12.1
75.42727	2.2
85.02847	4.5
89.02312	9.4
101.02333	6.7
104.54919	2.2
108.42770	2.1
113.02327	4.1
119.03397	4.1
144.95886	2.4
161.04477	3.4
178.33394	2.1
181.14050	2.3
185.75574	2.4
226.03827	2.9
268.29733	2.2
331.13754	3.3
344.24823	2.3
373.91333	2.2
391.15851	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	391.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01569	2.1
69.72043	5.6
71.01256	17.7
72.99191	1.3
73.02822	2.4
76.97387	1.1
85.02837	3.7
89.02319	28.7
93.14428	1.2
95.76366	1.2
98.20507	2.6
101.02329	12.2
112.62833	1.3
113.02318	11.0
118.25950	1.2
119.03391	13.2
131.03418	1.7
140.96944	1.2
143.03429	3.8
159.60378	1.2
161.02351	1.4
161.04460	5.6
161.15480	1.4
166.02586	1.3
170.58298	1.3
179.05537	15.5
229.08684	3.8
391.15405	2.3
391.22620	1.6
404.79813	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42390	1.0
55.01761	2.3
56.82991	0.9
59.01252	54.1
60.48441	1.0
69.50245	6.6
71.01256	14.5
72.99191	1.6
73.02823	100.0
74.03154	1.7
81.27979	0.9
83.01244	2.7
85.02828	7.1
87.00733	1.1
89.02323	9.8
95.01246	1.2
98.55592	0.9
99.00756	1.7
101.02326	15.3
102.39346	0.9
113.02321	7.1
119.03406	3.6
135.04446	2.1
150.03105	1.7
155.10779	1.2
161.04507	2.0
179.03404	1.3
179.05499	1.6
200.43379	1.0
211.13316	3.5
229.14392	19.5
277.10089	0.9
311.09738	0.9
317.16049	7.4
373.18637	3.5
391.19733	99.0
392.20142	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	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37430	0.4
50.93499	0.4
55.01744	1.5
57.03310	1.5
58.00469	0.8
58.02842	0.7
59.01252	21.2
60.40504	0.4
66.84328	0.4
67.38441	0.4
69.03323	0.8
71.01257	14.0
71.52185	0.4
72.99178	1.6
73.02820	3.4
83.01247	1.7
83.04871	0.4
85.02824	5.7
87.00745	1.1
89.02313	4.9
95.01264	1.5
97.02779	0.5
97.06475	0.4
98.56100	0.4
98.65603	0.4
99.00760	1.5
99.04388	0.6
99.05508	1.0
101.02320	7.3
109.02839	1.0
111.00813	0.4
113.02338	4.7
113.66593	0.4
119.03394	1.1
125.02304	0.8
125.09611	1.2
127.11195	1.6
133.02820	1.5
135.04395	0.8
143.04535	1.6
145.02835	0.8
155.14314	1.0
161.02342	4.1
161.04427	0.9
164.07050	0.6
167.14276	0.8
171.10176	4.4
172.10808	1.8
179.03317	1.1
183.13840	1.8
191.14197	0.4
193.12248	0.8
202.94121	0.4
209.11794	1.3
211.13345	12.0
212.09004	0.4
212.13663	1.0
213.14935	1.1
229.14421	34.8
230.14760	2.3
247.15622	0.7
297.07507	0.5
343.46158	0.4
362.17178	1.6
371.10574	1.3
373.18863	1.9
391.19733	100.0
392.11041	1.7
392.20117	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	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42390	1.0
55.01761	2.3
56.82991	0.9
59.01252	54.1
60.48441	1.0
69.50245	6.6
71.01256	14.5
72.99191	1.6
73.02823	100.0
74.03154	1.7
81.27979	0.9
83.01244	2.7
85.02828	7.1
87.00733	1.1
89.02323	9.8
95.01246	1.2
98.55592	0.9
99.00756	1.7
101.02326	15.3
102.39346	0.9
113.02321	7.1
119.03406	3.6
135.04446	2.1
150.03105	1.7
155.10779	1.2
161.04507	2.0
179.03404	1.3
179.05499	1.6
200.43379	1.0
211.13316	3.5
229.14392	19.5
277.10089	0.9
311.09738	0.9
317.16049	7.4
373.18637	3.5
391.19733	99.0
392.20142	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34825	0.7
55.01751	1.2
55.66122	0.8
59.01252	37.1
69.44435	3.1
69.44840	1.9
70.15646	0.7
71.01252	16.8
72.99168	1.2
73.02820	100.0
74.03152	2.0
83.01256	2.3
84.51956	0.8
85.02833	6.3
87.00749	1.3
88.93784	0.7
89.02313	8.4
95.01257	1.3
99.00761	2.2
101.02319	14.9
113.01566	1.1
113.02306	5.3
119.03395	2.9
135.04446	1.2
140.55295	0.8
143.03426	1.0
161.04449	1.9
211.13351	4.1
211.71480	0.8
226.00092	1.0
229.14395	7.9
317.16165	5.8
373.18564	1.8
391.19733	88.0
392.20178	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	391.1975
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
53.47565	0.8
54.31308	0.8
55.01749	1.1
59.01250	76.7
61.17116	0.9
69.38641	5.9
71.01245	16.5
72.99138	0.9
73.02817	4.4
78.13254	0.9
83.01261	2.2
85.02821	4.4
87.00742	1.2
89.02323	12.0
95.01234	2.0
101.02328	9.4
113.02336	5.0
119.03381	4.0
143.03459	0.8
155.10655	2.3
171.10262	1.0
171.48331	0.9
179.05544	2.4
211.13344	5.9
229.14409	24.1
230.14702	2.1
243.81435	0.8
331.17673	1.3
349.18655	1.0
391.19711	100.0
392.15454	1.6
392.20081	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	391.1976
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
55.01755	0.9
57.03305	1.7
58.00459	1.1
59.01250	20.9
69.03298	0.5
71.01254	14.0
71.16458	0.4
72.99173	1.6
73.02824	3.0
75.00732	0.5
78.95761	0.4
83.01265	2.2
85.02821	6.1
87.00749	1.2
89.02309	5.3
95.01264	1.2
97.02858	0.5
99.00774	0.9
99.04420	0.7
101.02324	6.2
101.02928	0.8
109.02878	0.6
111.00760	0.5
111.06622	0.4
113.02337	4.4
115.29340	0.4
119.03393	1.1
119.04871	0.6
125.02291	0.6
125.09595	1.1
127.11169	1.9
133.02869	0.6
135.04419	0.4
143.04475	2.1
145.02814	1.0
155.14293	0.5
156.90237	0.4
161.02322	1.0
161.04474	0.5
163.03816	0.7
164.07065	1.0
167.14310	1.1
171.10139	4.4
172.10852	1.1
177.08269	0.4
183.13847	1.6
188.21971	0.5
209.11769	1.4
211.13332	11.3
212.13725	0.7
213.14839	1.3
229.14413	36.7
230.14772	2.6
362.17297	1.1
371.10330	0.7
373.18558	1.2
391.19708	100.0
392.11581	0.8
392.20093	11.7
414.85153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30363	0.4
59.01250	100.0
60.01586	1.2
62.39426	0.4
69.21831	3.5
71.01257	0.9
78.95821	0.5
79.95590	0.5
84.68386	0.4
96.16534	0.4
135.04404	0.9
208.08691	0.5
223.13339	1.5
229.11949	0.5
318.56671	0.5
392.16556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	25.0
63.35062	0.7
69.03327	1.0
69.25188	6.3
71.01245	3.2
72.99136	0.7
73.02804	0.8
78.95776	42.5
80.02540	2.3
80.96336	0.8
81.03337	5.5
83.04891	6.5
84.02039	2.2
85.02826	2.5
87.00776	0.9
89.02330	1.3
93.03340	1.4
95.04893	1.2
96.95903	0.8
97.02824	9.5
98.03660	0.9
99.00766	1.9
99.04337	0.7
100.01066	0.8
101.02325	2.1
104.97337	1.3
107.04930	1.4
109.02822	1.1
109.06476	59.3
110.03593	2.5
110.06792	2.1
110.98413	28.8
113.02329	1.5
115.05306	0.6
119.04935	1.4
121.06467	3.2
123.04411	0.9
125.09565	1.3
134.98372	0.9
135.08063	5.6
136.05193	2.1
137.00000	1.1
137.02281	1.0
142.02644	5.5
152.99478	2.8
161.02219	0.7
161.09651	2.0
163.11195	27.2
164.11580	1.8
165.09157	1.0
166.65363	0.8
167.01056	30.5
168.01350	0.8
170.87772	0.6
171.00563	0.9
177.83766	0.7
181.12254	10.2
185.02135	10.0
189.09142	1.4
207.10202	100.0
208.10574	7.8
209.11804	1.2
221.46336	0.7
225.11272	68.3
226.11613	5.1
240.34210	0.7
247.05112	0.7
325.82162	0.9
342.07898	0.8
361.10223	0.8
375.03677	1.0
393.05109	1.4
393.13202	49.3
393.20822	5.3
394.12946	4.7
398.17963	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93431	0.4
55.01762	1.9
57.03323	2.0
58.00461	3.8
59.01249	100.0
60.01591	1.0
60.51551	0.4
63.26518	0.4
69.03333	0.7
69.55115	1.9
69.55545	1.2
71.01251	71.2
72.01584	0.9
72.99168	4.7
73.02813	6.5
75.00743	0.6
80.97193	0.5
81.03336	0.5
83.01254	6.5
85.02819	16.6
87.00748	4.3
89.02315	86.2
90.02656	0.8
95.01252	4.0
97.02848	0.7
99.00747	4.9
101.02320	38.7
102.02679	0.8
113.02328	27.3
114.02651	0.6
115.58424	0.5
119.03388	29.3
125.02331	1.4
127.00258	0.8
127.57061	0.6
131.03397	15.2
143.03400	5.4
149.04469	14.9
161.04466	7.9
179.05531	16.4
180.05815	0.6
191.05542	16.1
192.05957	0.5
233.06590	4.5
261.13367	4.4
393.07690	0.5
393.17538	10.6
394.17996	1.1
413.57040	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18982	2.8
55.01744	2.3
55.65332	2.4
58.00455	4.6
59.01251	100.0
64.21827	2.4
69.45736	17.0
71.01252	81.0
72.99158	7.2
73.02821	25.9
83.01220	4.6
84.49884	3.1
85.02827	18.2
87.00744	5.2
89.02316	95.8
92.77201	2.4
95.01243	4.7
99.00758	89.6
100.01083	2.7
101.02325	38.2
113.01636	4.0
113.02333	57.8
114.02668	2.7
119.03398	37.2
125.02406	3.7
131.03400	20.7
143.03355	11.3
149.04453	55.4
161.04454	38.7
179.05496	15.6
191.05557	65.9
233.06596	11.8
259.89465	2.6
261.13406	18.4
281.84570	2.6
329.77081	2.9
393.17551	83.6
393.22232	4.6
394.17896	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	393.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	5.2
70.11495	0.7
70.12475	2.5
71.01261	1.0
72.62764	0.6
75.00755	0.8
76.78886	0.8
78.95778	35.5
79.95599	0.8
89.02366	0.7
91.52778	0.6
95.04877	0.8
96.95900	1.0
98.19710	0.8
110.98418	53.8
137.04428	0.9
142.47177	0.7
150.97932	0.7
152.99483	8.9
167.01067	1.7
170.69365	0.8
185.02138	100.0
186.02502	2.2
205.94344	0.7
221.08499	0.9
225.16324	1.4
225.18571	26.7
226.18916	2.6
232.28171	0.8
295.22754	2.4
315.88217	0.7
355.00162	0.7
393.20258	3.2
393.28488	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76205	0.7
59.01252	100.0
60.01595	1.4
69.28210	4.1
69.28629	2.1
71.01257	5.8
73.02822	3.7
83.01255	1.2
85.02839	3.3
87.00742	1.0
89.02326	2.8
97.02814	0.9
98.27451	0.8
99.00768	1.6
101.02318	7.0
109.06475	1.6
110.98375	0.8
111.00736	0.8
113.02344	3.6
123.20506	0.7
159.02843	1.2
161.04486	4.4
171.84692	0.9
207.10170	4.0
222.86060	0.8
225.11270	3.9
236.12372	0.8
333.19193	13.3
334.19461	1.7
393.12933	1.0
393.21149	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	393.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76205	0.7
59.01252	100.0
60.01595	1.4
69.28210	4.1
69.28629	2.1
71.01257	5.8
73.02822	3.7
83.01255	1.2
85.02839	3.3
87.00742	1.0
89.02326	2.8
97.02814	0.9
98.27451	0.8
99.00768	1.6
101.02318	7.0
109.06475	1.6
110.98375	0.8
111.00736	0.8
113.02344	3.6
123.20506	0.7
159.02843	1.2
161.04486	4.4
171.84692	0.9
207.10170	4.0
222.86060	0.8
225.11270	3.9
236.12372	0.8
333.19193	13.3
334.19461	1.7
393.12933	1.0
393.21149	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.4
59.01246	9.1
61.00894	5.1
68.99668	1.9
69.43602	0.9
70.00484	3.3
71.01263	9.0
72.99166	2.7
73.02827	4.6
75.00730	2.8
75.02438	3.1
75.62644	0.9
76.38042	1.0
83.01260	11.5
85.00886	3.9
85.02814	2.4
87.00726	2.8
87.04404	1.4
89.02319	5.4
96.96841	2.3
96.99200	1.1
97.99960	2.0
99.00745	4.3
99.02477	1.9
101.02324	17.7
103.00245	1.7
111.00746	1.3
112.98676	5.7
113.02289	3.2
114.98322	1.6
115.01967	4.6
117.01776	1.3
119.03374	1.4
124.98676	1.5
127.00281	7.7
127.01937	1.4
128.00562	1.1
129.01791	1.3
131.03339	2.8
142.99731	1.2
143.01434	1.4
143.03374	1.2
145.01286	4.5
149.04431	1.9
157.01295	4.0
157.03062	11.4
161.04387	1.0
171.00945	3.0
173.00714	1.0
175.04091	10.6
184.77309	1.2
187.02365	2.3
189.05731	5.0
211.75130	1.0
217.05235	5.2
231.03203	1.2
239.37794	1.0
247.02620	3.8
259.06281	1.2
263.05756	11.8
267.10675	1.4
295.09991	1.3
303.05081	2.7
357.13333	1.0
363.07501	3.3
376.22070	1.1
395.09970	100.0
396.10306	7.6
396.14993	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	395.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42540	0.5
52.26933	0.5
59.01255	4.5
68.22503	0.5
69.34003	3.2
71.01260	3.9
73.02790	1.5
78.95773	6.9
80.02534	1.5
80.57603	0.5
81.03322	1.9
83.01266	0.9
83.04895	6.5
84.02035	1.6
85.02810	1.5
87.00728	1.9
89.02314	2.0
95.04902	0.7
97.06455	1.0
99.00753	0.9
101.02319	3.1
110.98407	5.6
113.02322	1.8
114.26926	0.5
125.05944	0.9
135.07996	0.5
147.11711	0.6
152.99477	0.8
155.92026	0.5
161.04442	1.2
163.11194	5.6
164.11522	0.5
165.12711	3.0
167.01082	1.9
167.53360	0.5
181.12222	1.2
185.02097	5.3
191.10768	1.5
202.40271	0.5
203.21321	0.4
209.11772	100.0
210.12117	7.7
227.12834	16.3
227.15121	0.7
228.13306	0.8
236.63481	0.6
263.14966	4.2
359.91327	0.5
395.14810	20.8
395.19510	1.4
396.15356	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	395.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.7
59.01250	6.6
59.70628	0.5
71.01268	3.9
73.02821	1.6
78.95770	6.3
80.02541	2.6
81.03332	1.9
83.01253	0.7
83.03535	0.5
83.04893	7.7
84.02039	1.7
85.02831	1.7
87.00763	1.6
89.02328	1.9
90.51331	0.5
93.03320	0.6
95.04887	1.0
97.06464	0.6
97.15930	0.4
98.66699	0.4
99.00730	0.7
101.02290	2.9
101.87743	0.4
103.65236	0.5
109.02866	0.5
110.98419	5.1
113.02338	1.8
116.75076	0.5
117.66296	0.5
119.03333	0.6
125.05969	1.0
133.89679	0.5
135.08038	0.7
152.99464	0.6
161.04459	0.8
163.11185	5.7
165.12781	3.6
167.01074	1.6
179.03391	0.7
181.12282	0.6
185.02142	5.7
191.10724	1.2
209.11777	100.0
210.12120	5.9
227.12834	16.1
228.13295	0.9
237.08942	0.5
263.14917	3.5
395.14764	17.7
395.19299	0.8
396.14896	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	395.1922
Annotation	Creoside IV
Peak:m/z	Relative Intensity
55.01757	6.3
57.03314	3.8
58.00457	2.0
59.00957	2.3
59.01250	46.8
69.21829	2.9
69.22259	6.4
71.01255	56.3
72.99168	3.0
73.02816	29.1
75.00746	2.0
78.95769	1.0
83.01250	11.6
85.02824	27.5
85.99965	1.1
87.00743	2.4
89.02319	12.2
95.01258	4.5
97.02850	2.5
99.00758	13.5
101.02323	54.7
105.46959	1.1
111.00773	1.9
113.02332	23.0
115.55805	1.1
125.02322	1.8
130.99747	1.0
131.03412	1.9
150.27187	1.1
159.02888	3.2
161.04469	21.0
203.36507	1.1
205.03514	1.1
209.11813	1.5
218.98694	1.0
263.14981	91.1
264.15366	6.6
269.95938	1.0
307.13803	1.5
384.09717	1.2
395.19196	100.0
396.19537	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17379	0.7
52.73127	0.8
55.01757	8.6
57.03320	4.8
58.00460	1.8
59.01253	52.5
69.03335	1.6
69.26273	1.3
69.26682	4.6
71.01255	61.6
71.33861	0.8
72.01603	1.7
72.99184	4.0
73.02821	34.1
73.46008	0.7
75.00752	2.1
80.63068	0.7
83.01259	13.3
83.01721	1.1
85.02825	33.8
85.99979	2.6
87.00752	2.9
89.02330	10.6
95.01291	4.2
96.55166	0.8
97.02809	2.2
99.00759	14.6
99.07993	0.8
101.02326	64.7
102.02657	1.3
111.00764	2.1
113.02336	22.9
114.02720	1.0
119.03362	1.1
125.02315	1.6
129.01781	1.6
130.93640	0.8
131.03421	3.3
139.00186	0.7
143.03424	2.7
159.02925	4.3
161.04482	18.0
162.04861	0.8
179.03407	0.9
205.03542	0.9
209.11823	0.9
263.14993	90.2
264.15332	7.9
349.04837	1.0
368.23785	0.7
377.04150	1.4
395.05334	2.4
395.19220	100.0
396.19580	12.5
397.82553	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70323	0.5
59.01236	1.6
65.91440	0.5
78.95779	13.6
89.67271	0.5
94.60452	0.4
106.46014	0.5
110.98422	9.7
137.00018	0.7
140.21521	0.5
152.99472	1.2
163.14496	0.5
164.64578	0.4
167.01068	10.9
185.02139	2.3
227.20114	100.0
228.20468	7.2
300.12204	0.5
379.14767	0.5
395.21985	14.3
396.22330	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92800	0.5
58.66662	0.5
59.01252	1.5
64.96879	0.7
70.67339	1.7
78.95779	1.9
79.95178	1.2
79.95612	12.8
80.96388	2.3
89.02305	0.6
94.97964	1.2
95.95113	2.5
96.95892	93.6
122.97481	5.0
123.79717	0.6
129.29652	0.6
137.53682	0.6
152.99504	1.0
155.45660	0.6
167.00032	0.8
197.11685	1.0
234.01492	0.5
241.01227	0.7
255.23392	1.4
307.06738	0.6
397.22644	100.0
398.23022	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	397.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.1
70.67204	1.1
71.01234	1.8
78.95762	1.0
79.95608	13.3
80.96384	0.8
85.02805	0.5
89.02325	1.3
94.97989	1.1
95.95108	3.2
96.95888	89.5
101.02296	0.9
113.02298	0.5
113.60088	0.5
122.97462	5.3
125.02308	0.5
141.95709	0.5
152.99506	0.5
183.17465	0.6
197.11739	0.5
255.23251	0.7
278.48380	0.5
297.37439	0.6
355.79871	0.5
389.23190	0.5
397.22635	100.0
397.69629	0.6
398.22968	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	399.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84464	1.0
53.00850	0.9
55.01748	2.3
57.03310	2.3
58.00460	3.9
59.01249	100.0
60.01566	1.3
60.62904	1.0
64.12087	1.0
71.01250	64.3
71.51276	1.0
72.01597	1.6
72.99176	7.1
73.02819	2.1
83.01262	3.3
85.02831	12.3
85.48671	1.1
87.00751	2.8
89.02316	70.6
89.39022	1.1
90.02663	1.6
95.01243	3.6
99.00742	1.8
100.03814	0.8
101.02321	43.3
102.02661	1.4
111.08064	1.1
113.02325	25.0
118.06801	1.0
119.03385	35.1
120.03699	1.4
121.10119	3.5
123.66662	0.9
124.41040	0.9
131.03380	3.0
137.02295	1.5
143.03378	3.1
149.04486	2.7
151.00282	1.0
161.04443	4.5
175.14853	12.3
179.05515	5.9
219.13821	22.3
220.14114	1.7
223.04057	1.0
237.14760	5.6
309.04153	1.0
381.09775	7.2
399.11407	2.2
399.20215	60.7
400.20380	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	401.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27662	5.6
59.01254	55.0
67.24683	6.7
71.01257	51.1
71.02522	5.8
71.26987	7.3
73.02820	12.6
74.42045	6.5
85.02822	12.8
87.00748	94.5
89.02326	54.0
97.91206	5.8
101.02325	19.6
111.00698	6.9
111.52234	5.7
113.02321	29.9
119.03370	15.6
135.12645	7.4
154.90338	6.3
163.03876	9.4
164.04697	14.1
177.01756	8.0
178.06245	14.3
179.03429	17.1
179.05515	21.3
179.07053	32.4
181.04985	13.9
191.03381	11.1
194.05746	6.9
209.08099	14.3
234.05573	5.8
241.22804	6.6
265.07111	86.3
277.07147	13.6
295.08194	40.3
325.09384	11.5
341.10876	77.4
346.78271	6.7
355.10391	12.4
401.10901	100.0
402.11359	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	401.1353
Annotation	[1R-(1alpha,4beta,4abeta,7alpha,8alpha,8aalpha)]-4-Bromodecahydro-1,4a-dimethyl-7-(1-methylethyl)-1,8-naphthalenediol diacetate
Peak:m/z	Relative Intensity
59.01249	3.6
61.34180	0.4
65.44454	0.4
70.60709	1.4
71.01245	1.5
72.15354	0.4
73.02808	0.5
85.02842	0.6
86.80920	0.4
89.02325	0.8
96.78162	0.4
101.02370	0.5
108.04416	0.9
113.02347	1.1
122.93945	0.5
125.02330	0.5
135.04410	0.6
137.02248	0.7
151.82108	0.4
160.03943	0.7
161.02365	0.6
161.04526	0.4
163.03886	0.4
179.03389	0.6
181.08725	0.4
188.03444	2.3
191.03465	1.2
197.64120	0.4
198.04234	1.6
209.07083	1.1
211.04933	1.1
211.08708	0.8
212.05460	1.0
212.07379	4.0
214.03627	0.6
215.04559	0.5
224.07275	0.6
225.04318	0.6
225.06570	1.2
226.03781	5.7
226.07123	0.7
227.04311	0.7
227.08226	2.6
237.10196	0.7
238.08722	1.4
239.04437	3.3
239.08144	2.8
240.05038	4.8
240.08804	0.7
241.06117	5.8
241.09892	0.6
241.47404	0.5
249.06654	0.6
251.08206	2.4
253.06033	2.7
253.09776	0.8
254.06866	2.1
255.07706	10.0
256.08109	1.0
263.08255	0.7
264.08893	0.5
265.06195	1.1
265.09775	1.7
266.08054	1.8
267.04105	13.3
267.07703	5.4
268.04584	1.6
268.07816	0.8
269.09607	1.0
279.07739	1.0
280.04935	1.1
280.08188	0.6
281.05627	1.8
281.09305	6.6
282.02847	1.6
282.06473	2.9
282.09470	0.9
283.07266	7.8
284.07733	0.8
285.04074	0.8
291.07813	1.2
293.05661	2.1
293.09290	2.1
294.06531	2.4
295.07294	6.6
296.07672	1.7
299.06799	2.0
309.08804	13.7
310.09235	1.5
311.06699	1.1
313.03589	0.9
313.08310	0.9
315.09814	4.1
325.08322	1.0
325.12051	0.5
326.09103	0.6
327.09854	0.9
328.05801	1.1
337.08325	8.4
338.08606	0.6
341.11203	2.5
369.10889	30.5
370.11298	4.4
401.13519	100.0
402.13876	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	401.1452
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01756	6.5
55.20920	1.3
57.03315	5.5
58.00445	2.0
59.01249	46.8
64.99767	1.5
68.99691	1.3
69.03325	1.5
69.23370	11.3
71.01252	79.6
72.01617	1.5
72.99176	2.9
73.02815	26.3
75.00757	1.7
75.25976	1.4
75.31367	1.5
83.01255	12.4
85.02824	38.8
87.00758	3.9
89.02322	11.9
95.01248	5.0
97.02827	2.3
98.19818	2.4
99.00750	13.3
101.02325	50.9
113.02328	30.7
114.02683	1.6
131.03351	2.4
143.03389	4.3
159.02878	5.9
161.04466	46.3
162.04871	2.7
191.05544	1.7
269.10294	100.0
270.10794	7.5
401.14481	19.6
402.15079	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	401.1453
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
51.60018	3.7
55.01760	4.3
59.01254	30.7
69.62869	20.0
71.01253	100.0
73.02816	48.6
83.01257	12.6
85.02823	42.3
89.02309	18.7
95.01250	4.8
98.20501	7.1
99.00755	27.4
101.02323	86.0
113.02327	46.4
125.02332	4.6
133.66226	3.6
156.18535	3.5
159.02905	12.6
161.04451	48.0
183.18495	3.5
269.10272	90.7
270.10797	7.2
372.75113	4.5
401.14511	86.5
402.14893	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	401.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.3
58.00479	0.8
59.01252	10.5
69.03344	0.7
71.01257	6.3
71.08956	1.2
73.88832	0.4
79.06847	0.5
80.39137	0.4
83.01286	0.6
83.04901	0.8
85.02822	4.8
86.83751	0.5
87.00742	0.7
89.02316	7.3
91.03880	4.8
93.03358	0.6
95.01269	1.1
95.04897	0.7
97.02858	0.8
97.06494	1.6
101.02329	3.1
104.26763	0.4
106.04139	0.7
113.02344	4.0
113.85719	0.5
116.54665	0.5
119.03384	1.7
125.09592	0.9
127.11127	0.6
135.04424	0.8
137.09601	1.0
139.04016	0.6
143.03459	1.0
148.27623	0.5
150.22202	0.5
150.23541	0.4
161.04495	1.1
163.11118	0.5
165.76106	0.4
167.14377	0.5
171.10159	7.9
175.14888	0.6
177.12776	5.9
179.03421	0.5
179.05426	0.7
183.13814	0.5
191.14505	0.6
195.13840	100.0
196.14177	7.0
201.11246	1.1
203.10744	1.3
211.13304	3.2
219.13837	1.6
221.11783	2.5
229.14252	2.5
237.14943	0.7
239.12857	52.4
240.13181	3.7
263.12814	3.5
270.01416	0.5
281.13922	1.6
285.04114	1.7
286.04333	0.5
291.19641	1.5
293.14139	0.8
309.20737	2.6
313.03488	2.4
327.21765	25.0
328.05975	2.9
328.22070	1.8
329.06400	0.8
333.24670	0.6
341.10959	1.1
388.76114	0.6
394.08902	0.5
401.18173	1.8
401.26874	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1817
Annotation	Spionoside B
Peak:m/z	Relative Intensity
55.01751	5.1
57.03323	16.6
58.00460	4.5
59.01250	92.3
60.01596	1.9
68.99668	1.6
69.03320	5.9
70.81668	2.2
71.01253	100.0
71.04890	7.2
72.99179	9.2
73.02821	17.9
74.98975	2.8
75.00745	5.5
78.98955	1.1
81.03341	4.2
83.01253	12.6
83.04902	3.4
85.02822	85.0
85.99976	2.2
86.03157	1.7
87.00749	25.0
87.04388	16.9
89.02315	48.3
93.03373	2.1
95.01247	7.8
95.04903	5.2
97.02850	7.5
97.06480	2.7
99.00758	17.7
99.04401	3.9
101.02322	60.4
102.02687	1.5
107.04906	4.1
109.02857	4.7
109.06467	2.4
111.04408	4.7
113.02326	32.2
113.03065	2.0
119.03374	20.7
121.06497	2.5
122.03595	2.6
123.04388	6.4
123.08054	4.1
125.02328	6.6
125.05974	22.0
127.03922	2.7
129.01826	1.7
131.03369	2.5
135.04404	3.3
136.05179	11.6
136.98999	2.9
137.02344	5.0
137.05954	3.5
137.09618	7.4
138.06764	9.5
139.03934	3.9
139.07507	6.1
141.05464	2.2
143.03329	3.0
145.04974	11.6
147.08081	3.3
149.04895	1.2
149.05981	8.7
149.09622	1.3
150.06770	12.9
151.07555	20.2
152.08339	7.9
153.05382	1.6
153.09113	24.8
154.09492	1.4
159.02881	2.2
161.04463	18.1
161.05708	2.2
161.09634	11.3
162.06796	1.2
163.07539	1.6
164.07164	1.2
164.08327	6.5
165.09123	87.6
166.06319	1.4
166.09491	4.6
167.10744	1.3
169.04993	2.4
170.05782	4.2
175.07574	4.1
177.09122	37.7
177.12772	3.6
178.09734	5.3
179.05574	3.3
179.07062	3.7
179.10677	8.4
181.08626	5.1
182.09387	7.6
183.10074	1.5
188.08456	1.2
189.09213	2.4
190.09988	2.1
191.10614	2.3
193.08630	9.9
195.10191	1.8
203.10796	6.2
204.07906	1.7
205.03348	1.4
205.08710	3.6
205.12268	11.7
206.09451	6.9
219.10262	8.8
220.11005	51.1
221.11748	32.3
222.08975	2.3
222.12161	2.5
223.13351	27.0
224.13631	1.4
225.11380	1.5
235.08231	4.0
237.11311	12.4
239.12843	15.2
240.13326	1.5
247.08208	83.0
248.08577	4.6
263.12900	5.6
269.10287	5.1
279.12476	1.3
281.13956	17.3
299.15167	1.4
323.14944	1.5
383.17151	19.9
384.17343	2.7
401.18253	92.2
402.18518	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64006	0.8
55.01753	1.1
57.03315	2.3
58.00449	2.6
59.01251	62.9
69.37051	1.0
71.01252	46.5
72.99188	3.8
73.02809	1.7
83.01254	3.3
85.02840	8.3
87.00745	2.8
89.02319	58.3
95.01244	3.0
98.19779	3.0
99.04379	3.4
101.02325	28.5
101.06112	1.0
102.02609	1.1
113.02326	19.3
119.03386	26.4
121.06499	5.1
123.04414	9.0
131.03387	3.2
135.04387	2.2
137.09621	53.6
138.01837	1.4
138.10054	1.2
139.07497	1.3
143.03403	4.8
149.04396	1.4
151.00189	1.0
161.04446	4.3
161.09631	1.2
163.07553	7.4
171.10226	1.2
176.71747	1.0
177.08972	1.0
179.05550	10.7
202.03363	0.9
203.10744	4.9
205.08624	1.7
221.11786	100.0
222.12129	7.8
225.00333	5.8
285.03918	2.0
401.03815	1.6
401.18640	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	401.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01782	1.4
57.03331	2.9
58.00465	4.4
59.01253	100.0
60.01587	1.4
62.77227	1.1
67.42677	1.2
71.01255	82.7
71.08881	2.5
72.01589	1.4
72.99172	10.8
73.02818	4.4
75.00743	1.8
79.38922	1.2
83.01273	3.5
85.02816	16.4
87.00755	6.4
89.02317	92.7
90.02650	1.5
90.90722	1.3
95.01279	4.9
99.04370	3.0
101.02325	41.0
113.02333	32.4
113.03082	2.4
114.02630	1.6
119.03390	33.8
121.06482	4.0
123.04449	2.3
125.02425	1.8
126.28051	1.3
131.03404	3.6
135.04413	4.4
137.09619	18.0
141.72977	1.1
143.03426	4.4
161.02344	1.9
161.04456	4.5
163.07498	1.8
177.09221	1.5
179.03482	1.9
179.05522	9.0
221.11781	36.2
222.12077	2.8
240.06685	4.7
247.08272	2.4
401.13672	1.5
401.18140	12.3
402.17804	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22057	0.4
55.01759	2.7
57.03328	1.7
58.00473	1.0
59.01245	22.1
60.66981	0.4
65.72349	0.4
68.99718	0.5
69.03331	0.5
69.26102	2.1
69.26521	1.5
71.01248	35.1
72.01577	0.9
72.99178	2.2
73.02815	14.3
74.55957	0.4
75.00747	1.5
81.89134	0.4
83.01248	6.1
85.02820	19.2
86.03155	0.6
87.00742	2.2
89.02314	7.7
95.01270	2.8
97.02827	1.0
98.19708	0.6
99.00755	5.6
101.02319	35.8
102.02659	0.6
111.00761	0.8
112.03957	0.6
113.02328	14.9
117.05512	1.1
117.07592	0.4
119.03367	2.1
121.06497	4.4
124.07559	0.4
125.02317	1.0
129.75615	0.5
131.03352	0.6
134.26636	0.4
135.04420	1.5
137.09616	59.3
138.09976	3.1
143.03395	2.0
159.02910	4.0
160.54836	0.4
161.02354	1.7
161.04463	26.3
162.04866	1.0
163.07526	2.3
179.03406	0.9
179.05608	0.5
181.08667	1.1
205.03455	0.5
213.29883	0.5
219.08665	2.9
237.09756	100.0
238.10132	4.5
401.18140	1.3
402.17947	0.5
423.24097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.5
57.03315	8.9
59.01248	41.0
63.36063	2.1
69.03345	3.3
69.63831	4.2
69.64233	8.9
71.01254	82.1
72.99183	12.7
73.02814	7.4
75.00745	53.4
79.40187	1.9
81.03342	2.1
83.01260	7.3
83.04910	2.7
85.02331	3.8
85.02818	31.4
87.00746	21.8
89.02316	31.5
95.01260	2.5
95.21801	2.1
96.84798	2.2
97.02848	3.6
98.20535	2.2
99.00747	6.4
99.04385	3.2
101.02327	13.1
103.00279	4.0
105.01816	48.1
105.02492	3.8
107.04935	12.7
111.00756	1.9
113.02344	17.4
116.01023	3.3
117.01814	3.5
123.08042	7.6
125.02340	7.8
125.05945	2.9
129.01813	3.0
135.02896	13.1
137.09587	4.9
139.03871	2.8
161.04436	3.0
163.07643	2.1
163.11224	4.0
165.09140	5.2
175.02357	2.7
179.10681	2.5
189.12799	7.3
196.64131	2.4
203.10881	2.7
205.08690	6.8
207.13725	4.8
221.11800	10.6
225.36084	2.3
233.06580	5.5
239.12932	3.6
258.82721	2.1
268.37305	2.0
293.08704	4.3
311.95911	2.3
343.14099	3.2
369.96188	2.2
383.17166	3.9
388.96591	2.3
401.18204	100.0
402.18497	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	401.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82180	1.0
58.75368	0.9
59.01254	100.0
68.16224	1.0
71.01258	2.6
71.07616	1.4
85.02810	1.1
89.02312	1.9
92.58582	1.0
104.42019	1.0
121.02851	10.3
148.73868	1.0
175.58777	1.1
180.36798	0.9
181.06416	1.0
191.85854	1.0
226.92163	1.0
264.62250	0.9
269.10202	1.1
272.74673	1.1
283.47195	1.0
287.18881	0.9
313.07233	1.9
346.50641	1.1
357.06284	1.3
401.08713	3.7
401.24924	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	403.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	10.7
61.95884	1.2
62.93061	1.1
67.13584	1.1
69.30399	10.1
71.01260	3.4
75.00741	3.9
77.13621	1.1
89.02328	1.9
92.67714	1.1
98.19828	2.1
101.02327	1.6
106.02869	1.6
108.04430	1.9
115.02997	1.3
120.04474	1.7
122.05996	6.8
132.04443	8.2
136.03975	1.2
138.05486	2.0
147.03177	4.7
148.03949	8.6
150.05482	2.9
160.03946	5.3
161.04599	1.4
162.05504	1.8
164.03493	2.3
175.02672	18.6
176.03462	21.9
190.05009	2.8
191.02173	1.2
192.02928	5.2
192.06570	1.9
197.07059	2.7
200.10838	1.6
203.02156	3.5
204.02963	28.3
205.03421	1.9
212.05815	2.9
212.10713	3.1
213.06630	2.7
215.08159	1.9
215.11903	2.6
220.02542	1.7
224.09486	3.3
225.06705	4.2
225.10129	1.9
226.07367	2.9
227.04622	2.9
227.08215	16.6
228.10406	2.4
234.04008	7.9
235.04755	1.9
237.06250	2.9
238.05182	1.3
238.07246	2.3
238.08871	2.0
239.08220	6.1
239.11890	6.9
240.08553	1.7
240.10246	5.0
241.06125	2.7
241.09695	5.9
242.06927	1.7
243.07777	3.9
243.11349	13.6
250.07449	1.8
251.05350	1.8
251.08160	1.8
253.06148	10.9
253.09770	7.5
254.06801	3.6
255.04216	3.8
255.07707	11.9
255.11366	7.8
256.04770	3.0
265.06070	4.6
265.09900	2.1
266.06812	7.5
267.07648	7.4
268.08505	11.4
269.06677	3.8
269.09335	18.3
270.09802	1.8
271.07233	14.6
271.10910	4.6
272.07678	1.9
281.09293	18.6
282.09839	1.6
283.07297	3.7
283.10867	33.8
284.11548	2.2
287.10394	2.8
293.05643	2.0
294.06485	14.3
295.06943	2.5
297.05115	8.6
297.08484	2.3
298.05649	3.6
299.06702	4.7
299.10345	9.5
309.08795	52.8
310.09079	5.4
312.07416	4.6
313.08215	1.6
315.09631	1.9
315.13498	1.6
325.08514	1.7
327.09879	60.0
328.10068	7.9
331.09265	3.6
341.11371	15.8
342.11731	1.6
343.09351	4.8
353.07785	13.1
359.12549	10.3
371.08813	28.8
372.09036	4.3
385.10480	11.3
386.11096	1.7
403.11441	100.0
404.11703	13.2
404.16266	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	403.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	2.0
59.01255	29.0
61.98700	7.6
63.01810	2.2
69.17064	15.3
71.01251	14.9
71.04887	2.7
73.02820	3.5
83.01244	4.3
84.69345	1.8
85.02824	9.5
87.00748	1.6
89.02311	6.7
95.01273	3.1
101.02296	5.9
101.05956	3.1
108.04379	2.1
111.00742	1.8
113.02344	6.3
113.83653	1.8
119.03396	2.4
119.04916	2.7
120.33153	2.1
121.02834	1.7
122.05981	8.1
124.07586	1.9
125.02300	2.5
130.02866	3.5
132.04448	16.6
133.04694	2.0
135.04430	4.3
147.03255	4.2
148.03966	3.6
150.05536	5.6
155.10651	2.3
156.08191	1.8
158.02390	8.7
160.03938	12.2
161.02347	3.1
161.04610	4.4
162.05504	5.3
174.05522	2.7
176.03468	14.1
176.07027	3.7
179.03435	3.4
179.17403	1.8
190.05054	21.2
198.04166	2.0
198.27905	2.2
211.12338	6.7
212.05736	3.3
212.10944	4.2
215.11874	5.0
220.02403	3.3
223.08725	4.4
224.09442	15.9
226.07480	3.8
227.08183	6.7
234.03996	4.3
239.08234	2.3
239.11852	32.8
240.10188	8.3
240.12384	2.2
241.09857	8.3
253.06166	27.4
254.06628	3.4
255.07693	3.8
255.11391	8.2
256.08527	2.1
259.19110	4.4
265.09613	4.4
267.07712	7.0
268.08560	14.5
281.09326	7.4
283.10883	82.9
284.11215	8.3
309.08841	20.6
310.09293	2.6
327.09866	100.0
328.10110	13.7
341.11401	2.4
348.05353	1.8
353.07672	2.8
359.12421	4.2
361.22266	5.6
371.08829	72.8
372.09088	11.1
403.11371	55.8
403.18698	2.4
403.23575	17.4
404.11703	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	403.1608
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
55.01753	3.8
55.31403	3.6
58.00471	3.6
59.01251	100.0
64.19974	2.8
67.84692	3.1
69.42416	21.5
71.01257	43.4
72.99191	5.6
73.02821	8.6
82.60843	3.0
83.01280	3.6
85.02826	12.6
86.52768	3.0
87.00742	6.1
89.02315	43.4
99.04382	4.0
101.02320	30.8
113.02330	19.7
119.03363	21.7
139.63011	2.8
161.04492	4.5
167.07036	6.3
177.13841	3.2
177.46939	3.5
178.02753	3.1
179.05534	4.7
179.10658	30.6
189.24400	3.1
223.09714	77.8
223.13268	6.4
241.10834	11.1
373.13055	3.4
403.11166	5.1
403.19531	8.0
403.23923	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	403.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	3.8
55.31403	3.6
58.00471	3.6
59.01251	100.0
64.19974	2.8
67.84692	3.1
69.42416	21.5
71.01257	43.4
72.99191	5.6
73.02821	8.6
82.60843	3.0
83.01280	3.6
85.02826	12.6
86.52768	3.0
87.00742	6.1
89.02315	43.4
99.04382	4.0
101.02320	30.8
113.02330	19.7
119.03363	21.7
139.63011	2.8
161.04492	4.5
167.07036	6.3
177.13841	3.2
177.46939	3.5
178.02753	3.1
179.05534	4.7
179.10658	30.6
189.24400	3.1
223.09714	77.8
223.13268	6.4
241.10834	11.1
373.13055	3.4
403.11166	5.1
403.19531	8.0
403.23923	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	403.27
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03459	2.2
59.01253	100.0
61.98703	23.3
69.36329	6.2
69.36746	8.9
102.71771	2.5
130.64429	2.1
158.93600	2.1
188.80597	2.2
243.18692	2.2
329.23441	3.2
403.28650	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	405.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.98684	3.8
62.55914	2.8
67.46975	3.3
71.01252	18.2
71.22106	4.2
81.03313	5.0
85.02821	4.1
89.01836	2.8
89.02303	18.8
96.58000	3.1
99.04390	4.7
101.02312	7.8
113.02323	6.2
119.03355	10.2
119.04889	3.8
121.02851	5.0
135.04410	6.9
137.05980	8.0
139.03893	10.2
142.48524	3.5
147.04375	4.8
147.45944	3.4
165.05463	18.2
177.01840	8.6
179.05551	4.4
182.37604	2.9
183.06548	76.1
184.06816	5.1
192.04182	3.3
214.61642	3.0
240.78563	3.1
297.20428	3.1
334.89536	3.5
345.11545	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	405.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03294	3.4
59.01251	100.0
71.01248	33.0
73.97391	2.4
85.02815	5.2
89.02316	49.2
94.56682	2.6
101.02341	16.9
104.39291	3.0
113.02316	11.4
119.03394	20.2
122.03630	3.2
136.07582	3.0
137.05963	9.3
143.03346	4.9
147.04411	4.9
161.04526	3.0
165.05479	9.6
167.10674	5.5
179.05527	17.3
183.06548	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73737	3.2
52.64986	3.0
59.01251	100.0
61.98703	89.6
71.01260	40.6
71.49706	3.2
71.50105	4.1
73.02821	4.3
78.91753	5.3
83.01247	6.7
85.02824	5.2
89.02319	45.4
97.02871	3.2
101.02330	20.1
111.01965	4.5
111.04447	4.0
113.02322	13.2
119.03375	17.4
120.16215	3.4
125.19045	3.1
143.03325	4.7
161.04410	8.0
165.05482	12.8
167.10686	3.3
175.85162	3.4
179.05487	14.3
183.06548	31.4
245.12883	4.7
287.11404	3.3
345.11545	3.7
381.06146	3.5
405.08844	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	405.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81463	1.8
55.04793	1.9
55.14378	2.0
59.01252	100.0
61.98707	2.3
64.59425	1.9
69.03326	2.5
71.01261	6.5
71.41135	2.4
71.79539	2.0
81.60024	2.2
87.39989	1.8
89.02329	5.6
101.95126	2.1
102.22449	1.8
107.04868	2.6
108.50520	2.1
113.02360	3.2
113.05856	1.9
121.02850	4.7
134.24774	2.0
135.04434	6.1
165.05519	8.7
183.06573	8.8
189.05431	3.7
193.72539	2.0
228.26436	2.0
260.00482	2.7
261.49756	2.3
345.11819	4.8
350.93631	2.1
372.14728	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.4
57.03331	0.9
58.00470	1.6
59.01254	33.3
64.96907	0.4
69.43185	1.5
69.43587	1.1
71.01257	17.8
72.01563	0.4
72.99189	1.7
73.02827	5.2
74.31910	0.4
75.00716	0.4
83.01255	0.9
85.02834	3.6
87.00745	1.0
89.02321	15.8
95.01270	1.5
95.04913	0.6
99.04398	1.5
101.02326	8.3
113.02338	6.9
119.03383	5.8
161.04489	0.5
161.09567	0.4
163.11179	4.2
179.05580	1.0
181.12270	27.5
182.12579	1.4
199.13345	1.0
207.10226	0.7
225.11284	100.0
226.11612	7.2
243.12370	1.1
361.18539	0.6
373.09564	0.4
405.17618	31.1
406.18027	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	405.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01576	1.9
60.22744	1.3
61.98708	1.4
64.75597	1.0
67.21030	1.2
71.01251	15.6
71.51730	1.4
72.99180	1.3
73.02806	3.8
81.03248	1.1
83.01256	3.0
83.04887	1.0
85.02831	5.1
87.00677	0.9
89.02312	9.9
93.03329	3.9
95.01292	1.5
97.30140	1.0
99.00771	2.2
99.04375	1.0
101.02333	7.7
101.56145	1.1
113.02333	7.6
119.03387	4.7
123.04395	14.4
125.09583	2.7
137.02354	7.7
139.11156	1.6
149.02365	2.0
150.03085	2.9
161.04478	4.9
165.05461	3.4
177.03323	1.4
179.03307	1.3
179.05507	1.8
183.10196	60.9
183.78880	1.1
184.10555	4.0
195.06557	2.6
207.10287	1.4
225.11252	1.8
225.14880	1.8
243.12213	1.3
264.72498	1.0
273.17075	1.7
281.06714	8.3
281.09424	1.4
285.12650	2.0
311.18808	1.0
333.19174	3.3
337.37604	1.0
342.84000	1.3
345.15497	2.6
405.11966	5.7
405.17493	3.9
405.22064	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25612	0.6
57.47313	0.8
58.00474	1.2
59.01252	100.0
60.01603	1.3
69.54942	4.3
71.01258	15.1
72.99174	1.4
73.02835	1.8
83.01269	1.3
85.02838	4.0
87.00781	1.0
89.02320	16.2
93.17216	0.8
95.01302	1.5
99.04448	0.8
101.02317	11.5
105.98666	0.8
113.02335	6.8
115.27711	0.7
119.03390	7.5
133.02806	0.9
135.04370	1.2
139.00365	0.9
161.02415	1.0
161.04510	3.4
165.01784	0.9
179.03365	0.9
179.05615	1.6
183.10220	5.6
207.71445	0.7
225.11395	0.8
337.20511	0.8
345.15527	45.9
346.15930	3.6
396.41559	0.8
405.17456	2.3
413.08270	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00476	0.5
59.01253	100.0
60.01590	1.2
66.24459	0.4
70.43320	0.4
70.43673	1.3
71.01258	7.0
71.53735	0.4
72.98309	0.4
72.99176	0.9
73.02830	1.7
75.00782	0.4
77.73335	0.4
80.35044	0.3
83.01257	0.9
85.02830	2.4
87.00766	0.8
89.02320	7.3
95.01278	0.7
101.02324	4.2
101.02814	0.4
113.02327	2.4
119.03406	1.8
135.04430	0.5
139.00323	1.4
161.02464	0.7
161.04501	1.9
165.01825	0.6
166.02582	0.5
179.03487	1.0
179.05576	1.4
179.06990	0.4
180.04266	0.8
181.05118	0.6
183.10222	0.6
191.03380	0.5
195.06618	0.7
205.05072	0.6
345.15567	0.9
360.12427	0.5
375.14557	1.9
405.17163	3.3
405.22028	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58759	1.7
58.00448	2.1
58.02849	17.6
59.01250	99.3
60.01581	4.6
61.39557	1.8
66.03332	1.8
69.53179	3.1
69.53574	8.6
71.01253	28.9
73.02817	9.5
74.02344	32.8
78.32796	1.8
81.04453	2.3
82.02860	5.6
83.01253	3.4
85.02827	10.3
86.02345	12.4
87.00755	3.8
87.05523	6.1
88.87417	1.8
89.02313	17.7
90.02652	3.1
97.03958	2.1
99.00762	2.3
99.05515	25.4
101.02338	14.8
101.07073	6.7
102.05476	5.1
109.03954	3.6
112.03940	3.6
113.02356	9.5
113.03460	3.1
113.84046	1.9
119.03387	6.0
121.03896	2.0
123.05531	3.6
125.03431	3.2
127.05051	4.3
128.03430	72.1
133.06845	19.0
135.04591	2.0
135.05559	8.2
137.07034	3.0
141.06566	2.5
143.04526	100.0
144.04887	4.0
145.06105	3.8
146.04515	11.2
153.06572	7.3
161.04483	5.8
166.09781	5.2
167.04529	4.1
167.08186	7.0
171.04106	2.3
179.04494	21.0
181.06076	2.4
184.10745	2.3
185.05571	2.1
192.07695	2.0
197.05603	3.3
210.08783	24.4
228.10086	1.8
254.07808	51.8
255.08119	3.2
272.08884	46.9
273.09250	4.0
277.12253	5.9
308.07718	3.3
310.59494	1.9
346.15979	2.8
347.17261	3.7
388.15332	7.5
406.16599	57.2
407.19641	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	406.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02857	16.0
59.01251	76.5
71.01260	17.8
73.02831	6.7
74.02348	27.0
81.04462	2.5
82.02843	4.2
83.01247	2.8
85.02827	5.6
86.02351	14.2
86.05981	2.4
87.05522	6.3
89.02328	12.7
96.04465	2.1
97.03978	3.4
98.19787	4.0
99.05519	27.5
101.02326	12.9
101.07109	5.0
102.05504	6.3
109.03957	7.7
112.03937	5.1
113.02332	5.8
119.03384	5.8
123.05547	2.4
125.03477	3.4
127.05004	5.0
128.03430	79.6
133.06825	19.2
135.05502	8.7
137.07106	2.8
137.61018	1.8
141.06607	3.4
143.04524	100.0
144.04851	2.4
145.06052	4.5
146.04495	15.0
153.06606	7.9
161.04514	5.0
166.09773	5.5
167.04591	4.9
167.08177	6.9
168.11029	2.1
170.03300	2.6
171.04135	2.1
179.04477	24.7
181.06184	1.9
185.05678	2.7
192.07672	3.9
197.05579	5.6
210.08786	25.0
223.74033	1.8
254.07813	53.8
254.10378	3.8
255.07976	2.2
272.08902	50.7
273.09030	4.0
277.12271	9.2
322.74957	1.8
336.58347	1.9
347.17065	3.9
388.15625	8.5
406.16580	57.7
407.19461	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	407.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32779	1.0
53.03926	0.9
55.71625	1.0
59.01250	100.0
61.77696	0.9
66.73866	0.8
69.03321	8.5
71.01257	9.2
71.46314	1.5
73.02817	2.3
79.30598	0.9
81.03331	5.9
85.02813	11.4
89.02322	1.6
93.03346	3.2
95.04906	1.4
97.02830	12.6
99.00777	1.6
99.04373	1.2
101.02372	4.5
111.04404	45.4
112.04742	1.6
113.02334	4.2
115.03881	4.0
123.04416	9.2
126.13681	0.9
137.06033	1.7
141.05479	29.7
141.06581	1.5
142.05780	1.2
156.58531	1.3
159.02881	1.2
161.04460	21.3
167.07047	3.4
175.09300	1.2
185.08110	53.7
186.08400	2.6
283.33752	0.9
347.13416	23.3
348.13742	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	3.7
59.01249	100.0
61.98677	1.0
70.75388	2.3
71.01236	2.9
73.02794	0.9
81.03341	2.3
83.01286	1.2
85.02823	39.7
86.03161	1.2
89.02313	1.6
97.02833	2.0
99.04388	16.3
101.02303	2.0
124.48262	1.1
141.05475	1.7
155.19978	1.1
161.04462	3.4
167.07037	1.5
167.25426	1.0
185.08131	31.1
186.08496	2.4
205.34253	1.0
260.10928	1.1
347.13434	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	407.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
69.43867	2.5
69.60783	16.5
71.01246	9.5
74.03242	2.3
78.14455	3.0
85.02816	3.6
87.23296	2.8
89.02309	12.4
96.91109	2.4
97.02824	6.9
99.04397	6.7
101.02317	6.9
113.02365	3.2
119.03384	5.3
123.04425	13.4
124.04706	2.8
141.05475	49.0
161.04495	6.7
167.07048	15.3
179.05550	8.9
185.08121	69.8
204.52039	2.9
258.73425	2.7
312.11563	2.7
347.13416	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	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.4
57.03308	0.9
57.09222	0.7
59.01253	100.0
60.01573	1.3
60.84221	0.7
71.00536	1.5
71.01258	17.4
72.99170	1.4
73.02829	6.8
75.00744	1.2
83.01263	3.6
85.02833	8.0
87.00725	1.5
89.02317	6.0
95.01270	1.3
96.99143	0.6
99.00729	2.4
101.02328	14.9
113.02355	6.6
115.03879	1.0
119.03388	2.9
137.09564	0.8
137.46645	0.7
143.03401	1.1
158.93016	1.0
161.04475	12.8
163.47559	0.7
167.10713	0.9
185.11748	3.1
227.13023	1.1
283.55432	0.8
329.16034	3.8
347.17136	5.7
389.18240	3.6
407.19202	76.4
408.19427	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	407.1922
Annotation	Daumone 4
Peak:m/z	Relative Intensity
55.01765	0.9
57.03320	2.9
58.00460	2.5
59.01248	82.7
60.01568	1.5
61.98689	3.3
68.82272	0.8
71.01252	59.7
72.01543	1.2
72.99176	4.2
73.02806	4.3
75.00740	5.2
77.51321	0.8
83.01246	2.6
84.02036	1.1
85.02821	32.1
86.03167	1.2
87.00745	3.3
87.84525	0.9
89.02314	47.6
95.01261	11.1
97.02801	1.4
99.00761	2.2
101.02316	23.7
103.03873	3.3
109.02854	1.0
113.02328	100.0
114.02660	1.9
115.03884	0.9
119.03388	20.2
125.02341	1.6
131.03401	3.1
135.04381	1.8
139.00333	0.8
143.03386	7.8
149.04488	1.9
161.04462	22.3
163.06026	2.1
170.06372	1.0
171.10168	9.0
179.03392	1.5
179.05510	8.8
227.12791	1.4
245.13904	1.6
253.09285	1.0
261.13440	1.7
317.10178	1.3
347.16901	1.1
407.13843	1.9
407.19116	18.6
408.19540	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	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71823	0.6
55.01761	1.3
57.03330	0.7
57.76863	0.5
59.01250	100.0
60.01582	1.2
62.40424	0.5
71.01258	9.1
71.29813	0.6
73.02831	3.2
74.28288	0.5
82.19427	0.5
83.01268	1.8
85.02818	2.9
89.02316	5.0
95.01266	1.3
97.10022	0.5
99.00772	1.1
99.03045	0.6
101.02313	6.6
113.02317	3.6
114.17199	0.6
119.03391	2.9
137.09633	0.9
143.03444	0.7
159.02907	0.9
161.04472	5.9
179.05536	1.0
185.11891	1.1
186.75638	0.6
218.00443	0.6
227.12804	0.7
245.14128	0.6
264.10861	0.6
347.17081	15.3
347.20984	1.1
348.17480	1.8
396.58139	0.7
407.19229	7.7
408.19659	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01729	0.5
57.03314	0.5
58.00458	0.5
59.01250	100.0
60.01584	1.0
61.55545	0.4
61.98690	0.6
65.26855	0.4
66.90327	0.5
69.45460	2.0
69.45871	1.0
71.01254	10.9
72.99198	0.8
73.02826	2.2
77.45795	0.4
79.00499	0.4
82.59697	0.4
83.01270	1.3
84.99674	0.4
85.02820	3.5
87.00736	0.5
89.02317	7.3
95.01259	0.6
99.00769	0.9
101.02316	7.7
101.02921	0.6
106.84856	0.5
113.02325	5.2
119.03384	3.7
123.94231	0.4
134.61105	0.4
143.03455	1.0
149.04454	0.5
155.10699	0.8
159.02968	0.8
160.08281	0.4
161.04431	5.3
171.10162	0.7
179.05573	1.4
185.11810	1.3
227.12862	0.7
265.49799	0.5
347.17093	17.0
348.17459	1.2
407.19043	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	407.2202
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.01246	5.2
69.75336	1.3
69.75700	2.7
78.95776	100.0
96.95891	1.5
96.96846	9.9
98.20502	1.2
111.80347	0.6
113.80851	0.6
114.59921	0.6
150.97939	1.5
152.99490	88.1
153.99866	1.2
171.00554	68.3
172.00938	0.9
407.22171	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2203
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
51.47357	0.6
55.83959	0.6
57.50011	0.6
59.01249	10.2
69.21481	0.6
70.03651	1.8
71.01257	1.2
71.88858	0.6
76.96653	0.7
77.79365	0.7
78.95773	91.9
81.75641	0.6
85.02805	1.5
96.95880	0.9
96.96838	6.1
104.97310	0.8
110.98421	16.9
138.68990	0.7
150.97902	1.7
152.99489	59.7
153.99847	0.8
156.20355	0.7
161.04507	0.7
167.01068	15.0
171.00546	40.4
180.80782	0.7
185.02124	13.6
185.08078	1.1
188.87917	0.7
239.20117	100.0
240.20526	7.5
275.20755	0.8
407.21948	19.3
408.22495	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	408.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24802	7.5
59.01254	17.5
59.37061	9.1
61.42241	8.1
61.98709	100.0
71.01267	9.8
71.50640	11.5
72.89209	8.5
73.11964	7.7
80.21324	6.8
126.09573	10.1
142.25735	8.5
223.10710	8.3
236.75365	9.5
243.15059	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	408.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21599	0.7
55.01763	0.8
59.01251	26.6
60.01587	1.9
61.98703	100.0
69.20548	0.9
69.20893	6.3
71.01256	6.8
72.99203	0.9
73.02841	1.5
83.01284	0.9
85.02818	3.7
87.00732	0.9
89.02325	2.7
95.01257	0.8
99.00786	1.0
101.02315	5.2
111.55142	0.7
113.01154	0.6
113.02337	2.8
117.03410	0.7
119.03420	1.1
123.65459	0.8
135.04480	0.8
135.98357	0.8
145.02907	1.9
149.50491	0.7
161.02405	1.7
161.04492	2.8
162.04813	0.8
181.05275	0.7
297.06351	0.7
348.17511	2.0
349.18655	6.9
408.19675	2.9
409.15347	1.3
409.20700	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	409.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38847	7.5
59.01252	37.3
60.47401	7.8
69.44688	32.4
69.45113	29.6
71.01263	59.5
72.42265	8.5
72.99191	29.4
73.02800	10.2
75.00722	43.5
83.01266	18.9
85.02829	21.6
87.00753	100.0
89.02331	72.5
95.01228	11.2
96.95883	10.3
96.96815	9.9
99.00761	21.0
101.02332	68.8
110.98408	8.3
111.00734	11.6
113.02325	45.3
115.00238	19.4
117.01795	21.9
119.03419	22.6
129.01846	20.0
141.01842	58.1
143.03429	9.5
145.01375	24.2
159.02885	31.4
177.03984	18.6
179.05556	53.8
188.48572	8.7
211.56015	8.1
321.08246	47.5
339.09283	21.9
375.06815	20.1
409.08179	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	409.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	5.9
57.03317	2.7
58.00456	2.4
59.00957	2.0
59.01250	41.2
60.01582	1.1
69.03323	1.9
71.01254	56.6
72.01596	0.9
72.99179	3.4
73.02818	38.5
75.00755	1.3
76.44937	0.9
83.00813	1.1
83.01269	14.4
85.02826	31.7
85.99981	2.1
87.00763	3.8
89.02319	11.9
95.01271	4.8
96.95880	1.2
97.02811	3.2
99.00761	16.2
101.02322	64.2
111.00778	2.2
112.01547	1.4
113.02331	25.3
119.03343	1.1
119.04829	1.0
125.02318	1.8
129.01823	1.4
131.03368	1.3
141.00032	1.4
141.16982	0.9
143.03436	2.2
159.02884	4.2
161.03305	0.9
161.04466	21.7
168.14626	1.0
169.14543	0.9
229.20877	1.1
277.16556	86.4
278.16943	7.7
322.06287	1.0
409.20767	100.0
410.21036	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	409.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53942	0.5
53.92142	0.5
55.01759	1.9
57.03324	1.7
58.00470	0.9
58.07705	0.6
58.46600	0.5
59.01250	100.0
60.01588	1.4
71.01251	20.2
71.39110	0.6
71.39460	0.9
72.99210	1.1
73.02815	5.9
75.00761	0.6
83.01251	3.2
85.02820	8.7
87.00770	2.1
89.02312	7.3
95.01276	1.5
97.06471	1.4
99.00768	3.1
101.02319	14.3
111.00782	1.1
113.02332	9.9
119.03402	2.2
129.01872	0.7
138.76396	0.6
143.03464	1.1
158.50815	0.6
159.02959	2.2
161.04459	11.5
161.05812	0.6
187.13303	3.7
229.14410	2.2
247.15517	4.3
349.18683	13.1
350.19110	1.3
391.19849	3.6
409.20770	68.3
410.21124	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45785	0.6
55.01768	1.1
57.03331	1.2
57.41630	0.6
59.01252	100.0
60.01594	1.0
65.76453	0.7
68.92351	0.7
71.01254	21.3
72.01594	1.3
72.99190	1.3
73.02823	7.6
83.01290	2.9
84.25157	0.8
85.02820	9.8
87.00798	1.5
89.02310	4.8
95.01271	2.1
96.99060	0.7
97.02853	0.7
98.20570	1.6
99.00768	3.7
101.02324	22.2
102.02665	0.9
113.02319	10.3
119.03397	2.2
124.69370	0.9
125.02382	0.8
143.03429	1.4
159.02930	2.6
161.04469	14.5
187.13332	3.7
205.03506	1.0
237.43710	0.7
349.18661	58.0
350.18979	6.0
393.82965	0.8
409.20761	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	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.7
59.01252	100.0
60.01567	2.9
62.04624	1.3
69.43009	11.0
71.01254	30.6
71.01617	2.4
73.02826	8.3
75.00764	1.6
83.01265	3.0
85.02826	11.6
87.00738	2.0
89.02315	14.2
95.01283	3.3
99.00754	4.1
101.02322	21.8
103.03894	2.8
113.02337	12.3
119.03394	6.0
132.87373	1.5
143.03380	2.0
159.02888	2.3
161.04462	19.8
179.05508	2.3
187.13310	8.2
210.94690	1.7
217.54330	1.6
277.23639	1.6
349.18680	46.7
350.18945	5.0
409.20844	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2361
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
51.58131	0.3
59.01250	1.0
65.87192	0.3
69.11698	0.3
69.74371	1.6
78.95775	68.3
96.96841	5.4
150.97940	1.4
152.99489	100.0
153.99823	1.8
171.00549	2.8
205.66045	0.3
244.07820	0.3
255.23219	1.9
409.23602	14.9
410.24002	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	411.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23297	3.1
59.01243	12.7
64.62540	2.5
69.67084	16.5
71.01257	8.7
74.98080	2.6
78.95782	2.9
83.37354	2.8
89.02319	7.4
96.95893	4.1
100.69788	2.5
101.02331	7.3
113.02354	3.9
141.10373	2.9
167.27686	2.9
183.13821	6.6
195.13850	5.7
197.02122	4.0
207.39441	2.5
211.13350	14.4
213.14897	100.0
214.15202	6.4
226.99316	2.9
231.13861	5.9
261.96750	3.0
267.45462	3.3
356.61960	2.8
411.17374	2.8
411.20422	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	411.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27000	1.1
52.88606	1.1
55.01765	6.2
57.03331	4.9
58.00458	1.8
59.00958	2.5
59.01251	50.6
61.98702	2.8
71.01254	73.2
71.04870	1.0
72.99179	10.7
73.02818	23.9
75.00741	2.0
78.95775	2.0
83.01255	13.4
84.02032	1.2
85.02821	38.2
87.00746	3.5
89.02322	16.3
95.01247	4.9
97.02857	2.6
99.00743	11.0
101.02322	63.3
102.02654	2.0
111.00773	4.5
113.02329	29.1
114.02663	1.0
125.02322	3.0
127.00304	1.7
129.01840	1.5
131.03392	2.5
143.03404	3.8
149.04459	2.0
152.99431	1.3
159.02908	5.8
161.00819	2.3
161.04462	38.1
162.04907	1.6
205.03429	3.8
225.11275	1.7
279.14481	100.0
280.14798	7.5
348.51636	1.1
351.20169	11.7
411.14243	1.7
411.18814	19.9
412.18924	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	411.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89743	1.2
55.01764	1.3
59.01252	100.0
71.01253	16.9
72.99165	1.3
73.02808	5.7
78.95798	1.4
83.01254	1.8
85.02823	8.3
87.00780	1.3
89.02309	3.2
99.00764	3.8
101.02328	16.1
113.02345	7.3
137.02325	2.0
152.99512	1.2
159.02911	2.1
160.03909	2.0
161.02348	1.6
161.04462	14.5
161.71550	1.4
163.89880	1.2
164.04590	1.2
207.10266	1.7
225.11172	2.9
279.14786	1.5
348.41254	1.5
351.20215	32.3
352.20529	3.1
411.13943	3.3
411.19812	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
67.16930	3.8
69.16663	3.9
69.16987	15.1
69.17403	21.8
73.69106	3.6
81.88777	3.5
85.30660	4.0
88.74477	3.5
89.56687	3.8
92.48460	3.7
98.20573	8.1
121.35444	3.8
253.41045	3.7
293.99991	3.8
304.71100	3.6
331.96628	4.2
374.72995	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	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06601	2.0
55.62319	2.3
59.01253	100.0
69.70948	2.2
70.90319	5.0
78.95772	3.2
152.99493	2.4
200.88722	2.3
243.22395	2.6
265.27023	2.5
281.81888	2.2
348.64923	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.9
57.03314	1.4
59.01252	100.0
60.92024	0.7
69.26183	5.4
71.01254	20.1
72.01609	0.8
72.99197	1.3
73.02828	3.0
74.19160	0.6
83.01266	1.7
83.04908	0.9
85.02836	7.2
87.00765	2.3
87.95747	0.7
89.02325	13.7
93.14717	0.8
95.01257	1.3
98.19783	1.5
99.00769	2.1
101.02316	11.5
107.75755	0.7
113.02313	8.7
113.48932	0.7
119.03401	6.4
125.02375	1.1
133.02878	0.9
135.04443	2.8
143.03426	2.1
149.04483	1.0
159.02997	0.9
161.02390	2.5
161.04468	4.7
179.03419	2.4
179.05623	0.9
215.14563	1.2
233.15506	1.1
251.16592	0.9
369.19778	0.9
413.22482	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89194	0.4
54.85303	0.4
55.01759	1.0
57.03323	1.3
59.01252	100.0
60.01585	1.1
71.00137	0.4
71.00491	1.1
71.01252	11.6
71.01618	0.8
72.99199	0.9
73.02823	3.9
74.02389	0.4
75.00750	0.6
81.03344	0.5
82.54017	0.4
83.01277	1.5
85.02834	5.0
87.00745	1.2
89.02323	4.3
95.01279	1.5
96.59220	0.4
96.95892	1.1
97.02860	0.9
99.00768	1.5
99.04432	0.7
99.26303	0.5
100.50002	0.4
101.02326	8.9
107.40818	0.4
112.01671	0.4
113.02318	5.1
113.02955	0.4
119.03423	1.6
121.63681	0.5
135.04427	0.5
137.02335	0.6
143.03410	0.8
147.11742	0.6
159.02979	0.5
161.04431	4.4
187.44769	0.4
209.15454	1.4
251.16623	0.6
322.63898	0.4
353.19666	2.2
371.20721	8.6
372.21176	1.0
413.22116	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	413.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.9
57.03314	1.0
58.00466	1.6
59.01250	100.0
60.01572	0.9
64.27448	0.4
70.56841	0.4
71.01254	36.2
71.53233	0.8
72.01585	1.1
72.72713	0.5
72.94407	0.5
72.99172	3.5
73.02815	3.2
75.00723	0.5
75.22133	0.4
78.95796	0.8
83.01263	2.7
85.02818	9.1
87.00762	1.4
89.02316	35.2
90.02650	0.7
95.01256	2.7
95.92230	0.5
96.95916	0.7
97.02834	0.6
99.00769	1.7
99.04429	0.6
101.02327	25.6
102.02654	0.7
111.00775	0.8
113.02332	14.4
119.03394	16.4
119.04845	0.7
121.02836	0.6
122.03678	0.7
123.04464	0.7
124.05240	1.5
125.02341	0.5
125.06004	1.0
129.58919	0.5
130.08653	1.3
131.03459	1.3
133.02998	0.5
135.04434	1.8
139.00328	0.5
139.03868	0.5
143.03423	1.6
149.04515	1.8
151.07538	1.0
152.99504	0.6
153.03981	0.5
159.02933	1.0
161.02414	2.3
161.04445	4.0
175.03934	0.8
179.03487	1.3
179.05614	2.0
189.12900	0.5
191.10780	0.7
201.12456	0.5
233.15509	1.2
251.16467	3.0
252.16808	0.6
328.84827	0.6
331.33725	0.5
347.79221	0.6
381.10226	0.7
413.12833	2.1
413.21661	13.8
414.22516	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86328	3.8
55.75712	3.8
56.99046	3.7
59.01247	100.0
73.20525	3.4
92.48262	3.7
98.20558	13.4
139.82104	4.9
190.39252	4.4
199.40434	4.1
216.67029	4.0
222.19853	4.0
278.71887	3.8
375.67947	4.2
413.30667	4.2
414.42636	3.9
418.62384	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	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43384	3.3
54.67570	3.2
58.35338	3.2
59.01251	100.0
71.09277	4.0
75.84087	3.1
85.36112	3.6
169.85652	3.4
389.78055	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	415.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85496	0.6
55.01755	5.8
56.13792	0.6
57.03321	6.1
58.00477	4.1
59.01250	67.6
60.92834	0.6
68.99707	1.0
69.03335	1.5
69.32236	3.9
71.01251	92.1
72.01586	1.6
72.99171	9.7
73.02817	34.8
74.03146	0.9
75.00751	2.1
81.03330	1.3
83.01255	15.1
84.02051	1.0
85.02821	58.3
85.99955	1.7
86.03166	1.7
87.00752	7.1
89.02316	16.3
89.02839	1.1
95.01260	7.7
97.02851	4.2
99.00757	16.1
101.02321	75.2
102.02679	1.4
103.03897	11.0
107.04929	0.6
111.00751	1.6
113.02331	38.8
113.74881	0.6
114.02675	1.1
115.03893	0.7
115.83556	0.7
119.03366	5.5
121.02868	1.7
122.02431	0.6
125.02345	2.7
127.03880	1.6
129.01830	2.0
135.04404	0.9
137.02351	0.8
139.00250	0.8
139.49876	0.6
140.41069	0.7
140.63034	0.7
143.03401	5.7
145.04973	2.4
152.99481	1.0
159.02907	8.6
161.04459	53.9
162.04816	2.3
163.06007	6.7
199.53047	0.6
203.07054	0.6
205.03522	2.3
240.01143	0.7
269.10294	100.0
270.10632	8.3
307.10382	0.8
313.09341	1.3
415.16263	40.0
416.16342	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.161
Annotation	Sayaendoside
Peak:m/z	Relative Intensity
55.01759	2.1
57.03316	3.4
58.00470	5.4
59.01249	100.0
60.01586	1.0
64.54375	0.6
70.24925	0.7
71.01251	90.2
71.51969	1.0
72.01596	1.4
72.99170	5.8
73.02818	6.4
75.00751	1.3
78.95777	1.4
79.79449	0.6
80.89748	0.6
83.01256	6.1
85.02821	23.5
85.99963	0.8
87.00749	5.3
89.02315	89.8
90.02673	0.7
93.03366	1.0
95.01246	5.4
99.00732	3.7
101.02319	48.0
102.02634	0.7
105.01836	0.7
110.51311	0.6
113.02325	35.1
114.02683	1.1
114.81314	0.6
115.03899	0.6
119.03385	28.1
120.03722	0.7
125.02283	1.7
125.09598	1.0
131.03387	25.1
132.03754	0.9
133.02788	0.7
143.03392	5.9
149.03317	1.1
149.04456	22.0
152.99443	0.9
161.04459	12.4
179.03323	1.2
179.05518	14.5
190.41782	0.6
191.05528	39.1
192.05830	1.2
233.04417	1.0
233.06610	15.8
241.20413	0.7
246.72624	0.7
250.32504	0.6
254.40678	0.7
269.10269	3.5
283.11862	3.4
283.14294	0.6
313.99106	0.7
357.41827	0.7
415.15942	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	415.161
Annotation	2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.62385	0.9
52.72529	1.0
55.01729	1.2
57.03319	2.3
58.00452	3.4
59.01252	75.3
65.94414	1.3
71.01254	58.1
72.99175	4.3
73.02821	22.5
83.01289	1.3
85.02824	13.5
87.00743	2.3
89.02315	66.3
90.02650	1.3
95.01271	5.0
99.00755	100.0
100.01081	2.3
101.02318	23.9
113.02333	38.9
114.02702	1.2
119.03403	8.3
131.03397	12.8
133.02811	2.0
143.03407	4.3
149.03302	2.1
149.04463	40.0
150.04840	1.5
161.04459	20.3
179.05498	2.8
191.03778	2.1
191.05536	38.7
192.05972	1.4
229.54556	1.2
233.06703	5.6
268.92963	1.2
284.03281	1.9
285.04037	18.1
286.04413	1.8
315.80484	1.1
384.86456	1.1
415.07083	2.1
415.16074	15.2
416.16251	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	415.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.9
71.01240	1.0
72.61536	0.5
74.98972	5.3
77.00538	75.5
78.00868	0.8
80.99088	0.6
84.96542	0.5
89.02303	0.7
101.02384	0.8
113.02331	1.0
147.08041	1.9
149.04556	0.6
149.09618	1.6
153.80440	0.5
160.08881	0.7
161.09634	1.2
163.11221	3.2
187.11206	2.6
229.64470	0.9
279.13947	0.8
280.14661	1.5
289.16110	0.6
307.17252	0.7
309.22229	2.4
319.17175	0.5
337.21725	100.0
338.22052	14.1
371.25717	0.9
415.22876	11.7
416.23416	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20400	0.7
55.01751	2.9
57.03329	4.0
58.00478	4.8
59.01250	83.8
60.01566	1.3
63.02248	0.6
69.03340	1.1
71.01252	100.0
72.01593	1.9
72.99186	5.8
73.02819	14.9
75.00739	0.9
80.41853	0.7
81.03333	1.5
83.01260	6.7
83.01728	0.9
83.04931	0.9
85.02821	29.5
86.03177	0.8
87.00745	4.4
89.02317	76.3
90.02635	0.9
95.01266	6.7
97.02863	1.6
97.06453	1.1
99.00765	7.5
101.02325	54.0
102.02648	1.8
113.02328	41.5
114.02651	1.0
119.03389	32.7
119.04250	1.6
125.02360	2.7
125.09612	1.9
129.01747	1.1
131.03358	3.2
133.02802	0.9
135.04410	1.2
136.08484	0.7
138.26344	0.6
139.00290	0.9
143.03403	5.4
149.04454	1.8
149.09605	3.5
159.02896	5.8
161.02373	1.0
161.04459	22.2
162.04784	0.8
179.05545	6.5
187.09825	0.7
189.07193	0.8
197.11780	0.8
205.03366	0.9
209.09618	0.7
235.17046	0.9
268.93579	0.7
285.04034	0.9
339.86395	0.7
415.14178	1.3
415.18887	1.2
415.23898	7.7
416.23798	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.9
57.03326	1.6
58.00471	2.4
59.01250	100.0
60.01588	1.2
61.98716	0.7
67.58684	0.3
71.01253	39.3
71.53246	0.4
72.99174	3.1
73.02817	3.4
79.58624	0.4
82.45991	0.3
83.01250	2.5
85.02824	9.6
85.03291	0.6
86.03171	0.3
87.00743	2.2
89.02318	34.6
90.02662	0.7
93.03331	0.9
95.01277	3.0
96.95903	0.6
97.02861	0.7
99.00758	2.3
99.05488	0.4
101.02319	22.5
102.02679	0.6
102.83287	0.3
113.02332	16.2
114.02698	0.6
119.03389	13.8
131.03432	1.1
137.02357	2.5
143.03407	2.9
145.02892	0.5
149.04510	1.0
159.02957	1.4
161.04456	6.3
179.05605	3.0
193.12093	0.4
197.11800	2.0
220.08049	0.4
339.09882	0.5
373.22516	0.9
415.11917	0.3
415.14188	0.5
415.19601	1.0
415.23993	5.4
416.24091	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55013	0.4
51.65367	0.5
52.06805	0.5
53.03560	0.4
53.21878	0.5
55.01752	2.5
57.03320	3.5
58.00464	4.7
59.01252	100.0
59.68837	0.5
60.01595	0.6
63.41622	0.5
68.22462	0.5
69.03345	0.9
69.84279	1.1
69.84689	1.5
71.01255	70.3
72.01595	1.0
72.99177	6.2
73.02816	5.3
81.45052	0.4
83.01261	3.9
84.02056	0.5
85.02825	16.4
86.03158	0.5
87.00757	4.1
89.02318	78.6
90.02645	1.1
95.01265	5.4
95.08319	0.5
97.02840	0.5
99.00748	2.4
101.02326	43.2
102.02645	1.1
111.10023	0.5
113.02332	31.7
114.02622	0.5
119.03389	31.9
125.02325	1.4
131.03423	3.4
143.03418	4.4
149.04453	2.8
159.02957	0.9
161.04466	8.5
179.03239	0.7
179.03983	0.6
179.05518	6.2
303.96387	0.5
313.20078	0.5
415.18417	1.0
415.23801	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	417.1553
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
59.01245	1.0
63.86595	0.2
65.81609	0.2
67.01750	0.3
68.99725	0.3
69.33524	0.7
69.33949	1.1
71.01263	0.8
81.03313	0.4
84.02040	0.5
85.02847	0.4
93.03347	0.4
95.01263	1.0
95.04877	0.5
101.02419	0.2
107.04926	0.4
109.02838	3.8
111.00798	0.4
115.57292	0.2
117.03395	0.3
121.02850	0.6
121.06413	0.3
123.00771	3.9
123.04424	0.9
124.01595	0.4
125.02348	1.1
128.92773	0.2
133.02859	0.5
133.64751	0.2
135.04454	0.3
137.02350	14.2
138.02737	0.4
139.00288	0.4
139.03873	0.6
145.02859	0.9
147.04417	0.4
149.02350	2.2
149.06042	0.3
150.03134	0.5
151.00275	23.7
151.03894	1.8
152.01082	2.3
152.04701	2.6
153.01825	0.4
153.05327	0.3
154.02505	0.3
159.04408	0.4
160.05045	0.3
161.02325	0.4
162.03032	0.4
163.03920	0.6
164.04712	0.5
165.01851	1.0
166.02628	58.9
167.03285	4.2
173.02351	0.4
175.03856	1.2
175.07565	0.3
176.01082	0.3
177.01868	3.6
177.05470	0.4
178.02609	0.8
179.03407	1.0
179.07042	0.5
180.04190	0.2
181.04985	100.0
182.05309	5.3
184.03705	0.9
189.05479	0.5
190.02635	0.4
190.06204	1.2
191.03438	1.0
192.04170	1.0
193.04971	1.0
194.05453	0.2
195.02982	0.6
201.85193	0.2
203.03391	0.5
203.07045	0.3
204.04089	0.3
205.05019	1.3
205.08598	1.8
206.05775	0.3
206.09026	0.3
207.06636	1.1
209.04532	0.3
217.04996	0.5
219.06606	0.7
220.07307	0.3
221.04341	0.4
224.03271	0.4
233.08150	0.2
235.06155	0.3
243.06500	0.3
301.07233	0.6
314.08011	0.3
327.08820	0.3
329.10291	0.6
344.09094	0.3
356.12735	0.4
357.09747	0.5
359.11356	2.2
369.09888	0.2
371.15118	1.0
372.08252	0.2
387.10840	15.1
388.11169	2.0
402.13214	14.6
403.13504	1.3
417.15552	30.3
418.15924	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	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.0
56.50434	1.0
59.01250	100.0
60.01582	1.4
61.98702	9.0
67.68969	1.0
70.34909	1.1
71.01255	29.3
71.31546	1.9
72.99185	2.1
73.02804	3.3
75.00731	1.2
83.01257	2.3
85.02821	7.3
87.00761	1.6
89.02316	33.9
95.01270	2.1
99.00790	2.5
101.02332	16.9
113.02335	13.9
113.30072	1.1
119.03370	12.7
122.03647	1.7
123.04414	40.9
124.04810	1.8
125.02328	6.1
131.03401	2.3
137.02336	2.6
143.03374	4.4
149.04428	1.8
161.04459	25.0
177.09077	5.1
179.05565	7.5
181.08633	1.4
202.66168	1.3
205.03365	1.3
205.72177	1.1
233.06593	4.6
289.16983	1.0
293.08786	4.2
300.72406	1.2
325.62094	1.1
357.15500	23.9
358.16006	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34835	2.1
55.01760	4.7
57.03316	2.1
59.01250	100.0
71.01256	65.5
71.51511	2.3
72.99184	4.8
73.02816	17.5
75.00745	2.9
83.01257	6.9
85.02823	27.8
87.00761	3.1
89.02322	9.5
95.01257	3.5
99.00763	9.1
101.02327	40.3
111.08041	5.4
113.02329	28.0
123.15938	2.3
125.02365	2.4
137.02303	2.7
139.07536	39.0
143.03415	5.8
159.02896	6.9
161.04468	85.6
195.10204	7.4
205.03438	4.9
272.60818	1.9
313.91150	2.3
335.88190	1.9
357.15500	24.7
358.15927	2.1
401.38770	1.8
417.17453	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	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48246	0.5
55.01778	0.5
56.85597	0.5
57.03330	0.9
58.00460	1.2
59.01251	100.0
60.01596	1.1
61.98699	4.4
71.01253	27.4
71.09422	0.8
72.99194	1.7
73.02822	4.7
75.00758	0.9
83.01266	2.7
85.02817	7.7
87.00768	1.1
87.27338	0.5
89.02319	26.6
95.01264	2.2
97.02821	1.2
99.00770	2.0
101.02327	18.1
113.02330	11.8
119.03393	10.0
120.03722	0.6
122.03641	0.6
123.04410	23.9
123.05306	1.2
124.04753	0.8
125.02343	2.5
131.03415	1.6
137.02342	1.1
143.03404	2.7
149.04515	1.6
159.02950	1.3
161.04468	17.3
177.09116	6.6
179.05511	5.4
182.30156	0.5
182.54758	0.5
190.54526	0.5
195.10133	0.8
233.06636	2.1
293.08853	2.1
357.15527	20.8
358.15976	2.3
417.17535	0.9
430.32294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.3
57.03315	2.3
59.01250	100.0
60.01601	1.4
71.01253	40.2
72.99177	4.6
73.02825	10.0
75.00748	4.1
78.65246	1.1
78.95776	3.1
83.01258	5.0
85.02815	15.2
87.00743	4.2
89.02313	15.5
93.03329	3.7
95.01262	3.4
99.00757	5.9
101.02330	28.0
109.02816	4.2
109.06528	1.3
111.04394	1.6
113.02325	15.9
119.03362	5.6
123.04407	8.7
125.02305	1.8
131.03381	1.7
137.02303	5.4
139.07538	5.0
143.03407	3.0
150.06720	3.0
151.07555	6.8
152.99431	2.4
153.09116	4.3
159.02837	4.7
161.04472	34.7
161.05838	2.4
165.05496	12.5
165.09097	4.1
171.10172	21.9
175.11307	1.5
177.09113	1.8
179.03322	1.7
179.05519	3.0
180.07822	7.3
181.08563	3.7
189.05496	3.5
191.10677	2.2
193.08627	2.1
195.10159	1.7
203.07039	1.9
204.07852	9.1
205.03604	1.4
211.09709	1.5
219.10210	18.9
220.10620	1.8
237.11299	10.1
357.15497	13.2
358.15652	1.3
373.14923	2.7
399.14209	8.1
417.09601	1.7
417.16934	3.1
417.21625	21.1
418.22171	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81788	0.4
59.01252	100.0
60.01593	1.2
70.65269	1.2
71.01263	0.7
72.99205	0.4
74.20977	0.4
75.00748	0.4
81.61078	0.4
85.02842	0.8
89.02325	0.6
94.49712	0.4
101.02346	0.6
113.02370	1.2
125.02332	0.4
133.39597	0.3
161.02351	0.9
179.03482	0.7
211.13516	0.4
248.72215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68825	0.6
55.40100	0.5
59.01252	100.0
60.01591	1.0
67.24863	0.6
70.89587	1.3
71.01251	1.5
75.00751	0.8
77.06493	0.6
83.04916	1.1
97.06509	0.8
101.02332	1.2
109.06428	0.6
111.08060	2.8
113.02335	1.0
121.02909	1.8
123.08011	0.6
124.75175	0.6
125.08789	0.9
125.09602	4.1
134.03683	0.7
135.04445	2.2
136.04878	0.9
137.00923	0.6
137.02361	0.7
161.02325	3.0
173.08104	3.3
179.03474	2.7
187.09737	3.6
193.36902	0.6
205.54123	0.6
211.13432	2.6
212.13718	1.0
261.90585	0.7
261.93655	0.6
309.39038	0.6
350.60507	0.6
367.60858	0.7
416.66232	0.9
417.20932	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	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.8
57.03313	1.8
58.00463	0.9
59.01254	42.0
60.01590	0.8
70.38445	1.1
70.38782	1.5
71.01253	16.9
72.99143	1.1
73.02812	5.5
80.86286	0.7
83.01256	3.4
85.02827	7.4
87.00768	3.9
87.04397	1.3
89.02319	3.7
95.01250	1.2
97.02848	1.0
99.00758	1.8
101.02325	10.9
111.00760	1.3
113.02379	3.7
125.02329	2.2
135.90324	0.7
138.90714	0.7
179.17699	0.7
183.13844	1.5
195.13884	1.9
213.14919	43.9
214.15179	2.4
255.15997	1.8
267.27338	1.0
357.19211	21.6
358.19583	2.5
375.20221	70.9
376.20587	8.6
401.36435	0.8
417.21280	100.0
418.21613	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53569	0.4
59.01252	100.0
60.01585	1.5
62.93923	0.3
69.37077	1.3
69.37495	1.0
71.01240	0.3
75.35726	0.4
85.02853	0.5
100.19661	0.3
113.02362	0.5
154.01077	0.3
195.13806	0.4
209.15500	0.5
249.15082	0.6
255.19943	0.4
305.91833	0.3
343.25180	0.8
357.19296	0.7
389.69153	0.4
417.25064	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20857	0.3
55.01768	1.2
57.03327	1.2
58.00469	1.7
59.01253	67.3
60.01591	0.8
66.98457	0.3
69.03325	1.4
71.01255	36.3
72.01595	0.6
72.99187	2.5
73.02820	25.4
74.03181	0.4
75.00772	0.6
77.31136	0.3
81.39641	0.3
83.01261	7.1
84.01622	0.5
84.02069	0.3
85.02825	9.7
87.00745	3.6
87.59650	0.3
88.78394	0.3
89.02319	15.4
90.02626	0.3
95.01257	2.8
96.60766	0.3
97.02826	0.8
99.00768	1.3
99.04372	0.3
101.02325	25.8
102.02656	0.7
103.00319	0.3
104.95860	0.3
105.20293	0.3
111.00755	0.3
113.02337	12.8
114.02685	0.3
114.26237	0.3
119.03389	4.3
120.72296	0.3
125.02340	1.4
131.03407	0.9
133.53094	0.4
135.43063	0.3
143.03433	1.0
145.95413	0.3
149.04477	0.4
155.03419	0.3
161.04506	1.3
176.03645	0.3
177.12704	0.4
178.35393	0.3
183.13841	1.5
190.87437	0.3
195.13846	17.7
196.14185	1.5
209.15421	0.5
213.14909	8.0
214.15216	0.6
218.70166	0.3
236.92516	0.3
267.82288	0.3
357.15970	0.4
357.19186	16.1
358.19617	2.2
375.20236	33.8
376.20621	3.6
390.18094	0.3
417.21295	100.0
418.21661	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	417.2131
Annotation	Maryal
Peak:m/z	Relative Intensity
55.01758	1.1
57.03325	1.8
58.00477	0.9
59.01252	97.3
60.01593	1.4
60.83930	0.4
63.56843	0.4
71.01254	24.3
71.52132	0.4
72.99185	1.9
73.02810	5.4
73.91482	0.4
75.00742	1.0
83.01263	3.3
85.02821	8.7
87.00766	1.7
89.02316	14.4
95.01260	2.3
99.00757	2.8
99.04374	0.6
101.02324	18.6
102.02666	1.0
108.04453	0.6
109.02846	0.5
111.00758	0.6
113.02329	9.8
119.03388	6.4
123.04487	0.4
125.02370	0.7
130.62701	0.4
131.03372	0.6
133.02823	0.4
135.04448	0.7
137.02333	1.0
143.03368	1.5
149.04547	0.6
151.00281	1.1
158.42194	0.4
159.02870	1.0
161.02422	0.7
161.04482	4.8
166.02661	2.9
179.03439	0.6
179.05469	0.9
181.04961	5.0
201.65929	0.4
237.14975	0.5
238.41429	0.4
239.96175	0.4
255.15915	0.5
343.21268	0.5
357.19360	2.4
387.10669	0.6
399.20236	6.1
400.20490	0.7
402.13144	0.7
410.07574	0.4
417.21249	100.0
418.21570	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0981
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
59.01251	13.2
61.98681	0.7
68.64379	0.6
69.85008	2.7
71.01259	5.8
72.99167	0.8
73.02815	1.5
75.00714	0.7
80.12065	0.6
83.01254	1.2
85.02830	2.5
87.00755	1.1
89.02330	2.1
93.03336	81.2
94.03671	1.7
95.01260	1.3
96.99188	1.1
98.19892	1.2
99.00761	2.2
101.02325	5.2
113.02337	2.7
119.03391	0.7
120.04451	0.7
121.02824	1.3
134.94366	0.7
135.04407	1.1
136.01614	1.5
137.02344	100.0
138.02682	4.1
147.03162	1.9
148.03951	1.1
152.72298	0.7
153.53867	0.7
155.10503	0.7
161.02443	0.8
161.04454	1.7
170.76064	0.7
174.05571	0.6
174.24579	0.6
175.02617	0.9
176.03505	1.5
179.03452	1.9
183.10178	1.1
201.11365	0.8
206.02431	0.6
206.04413	0.6
215.11844	2.0
227.08276	0.8
238.07336	0.9
241.09842	0.9
241.77742	0.6
243.07712	1.3
253.09651	0.8
255.11273	1.0
266.06842	1.4
281.06668	46.5
281.09296	2.4
282.06940	3.2
299.10361	2.5
313.12094	1.1
357.10956	0.8
359.80313	0.7
375.11710	1.3
387.08084	0.8
419.10083	38.0
419.26917	1.0
420.10425	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	421.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.5
58.00480	0.5
59.01252	100.0
60.01583	0.9
69.03338	0.7
69.39075	0.5
71.00023	0.8
71.01254	5.9
72.99186	0.6
85.02813	2.8
89.02320	6.4
89.02738	0.5
93.03353	0.5
97.02861	1.4
99.06813	0.5
100.78376	0.6
101.02324	5.9
107.04913	0.9
113.02323	4.7
119.03394	5.5
121.02827	0.6
123.04404	1.3
125.02370	1.6
127.03911	1.9
133.02892	0.5
135.04437	1.6
137.02341	1.4
138.37263	0.6
139.03941	1.0
141.05495	0.5
143.03392	1.0
147.04413	0.6
149.06081	0.5
151.03929	3.5
153.05521	1.1
161.04495	3.9
163.03929	3.0
165.05453	0.9
169.04973	6.2
175.03862	0.6
177.04205	0.4
177.05493	2.4
179.05576	1.6
181.04977	14.5
188.83739	0.5
193.04996	3.1
199.06061	13.4
200.06471	1.2
205.05037	1.6
209.02855	0.6
217.05025	1.5
223.06052	3.7
241.07272	0.8
258.18686	0.6
343.10443	0.8
361.11398	54.1
362.11679	5.3
421.13620	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35167	5.2
59.01251	100.0
61.98697	23.3
64.01294	4.7
71.01249	51.0
71.50792	6.2
72.99191	6.6
73.02814	15.9
74.22312	4.8
78.95770	6.5
83.01249	10.7
85.02827	14.8
89.02309	42.4
92.21070	5.8
95.01260	11.6
99.00756	11.4
101.02308	38.3
113.02328	19.7
114.35732	5.6
119.03323	8.1
131.03352	6.3
158.24516	5.5
161.04475	8.0
179.05470	5.6
215.48083	5.5
377.18262	33.1
421.16177	65.5
422.15759	7.2
422.20715	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	421.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38485	1.0
53.03088	1.0
53.41660	1.0
56.74236	1.0
57.03317	2.7
58.00450	2.0
59.01250	95.3
59.57458	1.1
62.45287	0.9
67.12799	1.0
69.03339	1.1
71.01254	57.3
72.99181	4.9
73.02824	28.7
75.00746	3.7
83.01279	4.2
83.04893	1.2
85.02820	16.6
87.00754	3.0
89.02315	63.0
93.03344	4.7
95.01279	6.8
98.19759	2.3
99.00755	100.0
100.01090	2.5
101.02317	23.1
109.06451	1.1
113.02330	43.1
114.02711	1.7
119.03379	9.6
122.60530	1.0
131.03401	12.5
137.02377	5.5
138.02667	2.0
139.02812	1.6
143.03415	3.3
149.04457	42.4
159.02933	1.5
161.02408	1.7
161.04469	20.0
163.03851	1.1
179.05481	3.8
191.05527	33.5
213.24812	1.1
229.68597	1.3
233.06580	3.5
281.06613	1.1
336.06384	1.3
421.11157	2.1
421.16913	4.5
426.69940	1.2
426.75473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70729	1.3
54.29641	1.5
55.01741	1.9
59.01251	100.0
63.70978	1.6
69.80651	5.8
71.01269	2.9
81.03348	2.7
89.02319	1.7
97.02811	2.0
99.04403	9.6
119.03400	1.9
141.05414	1.6
161.04498	1.5
179.05444	1.4
199.09686	15.0
285.06018	1.5
361.14935	3.2
364.25583	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52012	1.3
58.59468	1.2
59.01252	100.0
64.08438	1.4
71.01247	13.8
73.02828	5.5
75.00770	1.7
83.01273	3.8
85.02834	5.6
87.79079	1.2
89.02292	7.0
93.03329	2.9
99.00787	2.0
101.02334	10.5
111.04372	3.5
113.02342	4.7
119.03407	2.3
123.04448	1.5
125.02343	1.7
125.05975	2.5
127.00257	2.9
137.05965	4.7
158.68880	1.4
159.02898	2.4
161.04494	12.7
181.08618	9.6
191.67723	1.3
241.10733	5.0
272.48306	1.4
361.15070	2.5
421.17059	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	421.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31852	1.1
52.26159	1.4
57.03339	1.2
58.00463	2.1
59.01251	100.0
69.03313	1.2
71.00853	2.5
71.01252	51.9
72.99203	5.8
73.02816	21.8
75.00744	5.3
83.01260	3.2
85.02829	16.1
86.19537	1.1
87.00744	3.8
89.02316	65.8
93.03333	2.8
95.01250	4.6
97.02818	1.5
98.19846	2.8
99.00756	82.8
100.01088	1.6
101.02322	19.3
103.51109	1.2
113.02328	35.1
119.03399	13.0
125.02360	1.3
131.03410	12.8
135.04501	1.3
137.02330	4.7
143.03377	6.3
149.04459	37.6
161.04457	14.4
171.60422	1.2
177.03250	1.9
179.05566	7.5
191.05537	31.6
199.09641	1.7
220.94589	1.2
233.06601	5.5
245.34880	1.1
321.17569	1.3
421.16641	3.5
421.21182	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	421.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48024	1.0
55.01740	3.6
57.03311	2.1
58.00466	5.6
59.01253	100.0
61.61171	1.4
62.15348	1.0
71.01259	73.4
71.51705	1.6
72.01605	1.4
72.71035	1.1
72.99159	4.8
73.02819	24.9
74.03147	1.5
83.01237	4.9
85.02825	21.3
87.00733	4.2
89.02319	78.8
95.01276	5.7
95.19765	1.2
97.02817	1.7
99.00761	86.2
101.02328	39.2
102.02691	1.5
108.03520	1.1
108.64725	1.2
112.01542	1.1
113.02332	45.8
119.02619	1.4
119.03397	20.5
119.04742	1.2
131.02478	1.3
131.03392	13.3
143.03406	6.2
149.03339	2.1
149.04469	37.3
161.04477	25.6
161.56664	1.3
172.29510	1.1
179.05547	7.4
183.13789	2.4
191.05554	39.2
192.05779	1.6
195.13742	1.9
213.14902	23.7
214.15149	1.4
214.33617	1.0
225.62047	1.3
227.55536	1.2
233.06488	3.6
253.92017	1.3
258.65659	1.5
289.16599	5.5
328.09213	1.3
367.19019	1.1
421.20502	47.1
422.20868	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2082
Annotation	(3R)-1-Octen-3-yl-beta-primeveroside
Peak:m/z	Relative Intensity
51.68435	0.5
55.01759	5.0
57.03324	5.3
58.00461	2.0
59.01252	38.9
60.01581	0.7
61.98704	2.0
68.99702	0.7
69.01900	0.5
69.03331	2.2
69.46468	3.5
71.01255	100.0
71.04890	1.2
72.01585	1.8
72.99171	3.8
73.02821	34.9
74.03168	0.5
75.00745	2.1
81.03353	0.7
83.01261	13.9
85.02826	43.5
85.99988	0.6
86.03162	1.2
87.00747	3.8
89.02316	16.4
94.46848	0.5
95.01263	7.2
97.02837	3.4
98.19720	0.6
99.00757	16.6
99.04346	0.7
101.02324	64.5
101.37467	0.5
102.02673	1.6
111.00745	2.0
113.02331	35.8
114.02673	1.1
115.03885	1.2
119.03381	2.0
121.80007	0.5
125.02370	5.1
127.11178	2.1
129.01834	1.6
131.03407	3.7
139.00255	0.8
143.03403	5.2
149.04478	2.5
155.87428	0.5
159.02896	9.0
159.10210	0.6
161.04471	50.0
162.04802	1.4
171.11719	0.5
191.05525	1.9
193.12370	0.6
205.03462	3.4
233.06599	2.5
289.16571	82.4
290.16895	7.8
293.08817	1.2
321.15576	0.5
333.15427	1.4
421.20648	34.3
422.20999	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21778	0.5
53.02406	0.6
54.23040	0.5
69.32722	4.8
70.66805	0.5
72.40832	0.6
78.95775	33.6
85.42626	0.5
86.85446	0.6
109.67167	0.5
110.98416	57.8
152.99507	4.4
157.00768	0.6
167.01059	1.9
185.02132	100.0
186.02467	2.9
253.21703	22.8
254.22041	1.8
307.94598	0.7
312.29962	0.6
326.04553	0.6
350.24054	0.8
421.23514	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	421.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59081	0.8
55.01768	6.2
55.14848	0.8
57.03320	4.9
58.00468	2.7
59.01252	52.7
60.01601	1.0
61.98682	1.0
69.03310	1.6
69.20092	9.1
71.01254	63.3
72.99181	4.2
73.02821	26.0
75.00745	25.2
83.01258	13.8
85.02825	33.5
85.06458	1.1
85.99950	1.9
87.00748	5.5
89.02312	14.4
95.01272	2.9
96.79630	0.8
97.02811	2.0
99.00755	11.1
101.02323	57.2
102.02641	1.2
111.00759	9.0
113.02328	30.0
114.02635	1.1
119.03401	4.0
125.02361	2.7
129.01811	2.0
131.03398	1.9
135.04425	1.1
143.03409	2.5
149.04529	1.8
150.03087	2.3
152.01122	1.0
159.02892	5.9
161.04478	20.3
162.04794	0.9
165.05510	2.6
167.03464	1.1
168.33856	0.9
179.05583	1.9
191.05640	2.5
195.06526	1.3
205.03566	1.4
247.11909	1.2
259.19116	18.1
260.19513	1.9
313.56198	1.0
376.34412	0.9
379.16229	1.6
421.24530	100.0
422.24869	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	6.8
59.01254	100.0
61.98689	10.8
69.66522	5.5
70.51772	9.0
70.52115	14.6
71.01254	61.1
75.00777	5.7
85.02805	38.1
89.02302	46.8
97.02822	23.6
101.02355	16.0
109.02869	10.8
113.02391	14.5
116.06483	5.6
119.03371	12.9
127.03896	63.9
137.06033	10.5
138.13106	6.1
139.03922	12.3
165.05501	21.6
166.59055	6.2
179.05518	6.3
183.06566	72.5
211.41260	7.2
249.42567	6.7
296.24579	6.8
363.12982	84.6
364.13480	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	423.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15129	6.9
59.01250	100.0
66.46070	6.9
66.93377	5.9
70.18624	6.4
70.65208	11.8
71.01260	54.2
75.00752	9.3
83.55514	6.1
85.02829	56.7
89.02316	79.3
101.02313	25.2
111.04415	9.8
113.02334	27.2
119.03393	32.9
157.04907	11.9
161.04445	9.7
165.05470	24.0
179.05528	29.9
183.06630	15.7
201.07642	38.3
202.84489	5.8
260.89737	6.2
269.82391	6.6
363.12955	46.0
364.13190	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	423.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	80.9
61.98697	28.9
70.95950	5.0
71.01254	43.3
71.22842	6.3
73.02818	66.5
75.00744	25.2
85.02829	13.1
85.30335	5.8
87.00801	7.5
89.02312	25.8
90.98471	8.9
101.02339	31.2
113.02330	18.8
116.64669	6.2
117.17910	5.9
118.97979	56.0
119.03400	14.0
125.09622	17.6
131.03406	5.7
150.03107	9.4
161.04521	12.0
165.05455	13.9
168.06548	5.6
169.08675	11.1
179.05560	7.8
181.12123	7.5
195.06549	8.1
199.13280	11.0
219.96390	6.1
243.10146	10.5
243.12352	100.0
244.12660	14.1
291.14520	7.3
363.16592	7.0
423.18417	74.7
424.18881	9.9
446.12750	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	423.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03102	2.8
55.01751	7.8
57.03317	5.6
57.50500	2.7
59.01250	87.6
69.58356	9.1
69.58765	6.6
71.01250	97.6
72.76006	2.8
72.99181	7.3
73.02821	32.5
75.00754	6.6
79.22930	2.6
80.64418	2.6
80.94996	2.6
83.01244	20.6
85.02821	49.3
87.00775	7.6
89.02316	46.2
95.01286	8.5
97.02819	3.8
99.00735	13.9
101.02328	82.8
111.00765	8.0
113.02332	48.0
115.07569	3.9
118.97974	3.4
119.03393	22.1
129.01831	4.1
131.03426	5.0
143.03416	6.3
146.10582	2.6
158.88525	2.9
159.02928	9.7
161.02406	3.3
161.04462	33.9
179.05510	20.9
183.63901	2.8
221.06607	22.2
255.23212	4.3
261.20724	8.4
263.07645	4.1
282.65567	2.7
290.59796	2.8
305.67624	2.7
398.52524	3.0
423.18240	20.6
423.26086	100.0
424.18799	3.6
424.26541	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	423.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28097	1.3
50.60748	1.3
55.01747	4.8
57.03312	4.1
58.00446	2.2
59.01251	52.2
60.01606	1.3
60.23808	1.4
67.17140	1.2
69.03311	1.4
69.44718	6.3
69.45127	3.0
71.01253	59.0
72.56267	1.3
72.99168	4.2
73.02822	26.3
83.01267	10.4
85.02823	28.3
87.00745	7.4
89.02321	17.4
95.01254	4.7
97.02797	1.9
98.19795	2.1
99.00757	14.2
101.02322	50.8
111.00769	3.2
113.02328	29.1
118.97968	1.5
119.03384	5.3
125.02312	1.9
129.01842	2.6
129.09102	3.9
131.03468	1.4
135.04436	1.4
137.02359	1.9
143.03418	2.1
153.03348	1.4
153.59697	1.3
159.02913	6.7
161.04469	23.9
163.03905	1.6
170.76595	1.5
179.03412	2.6
196.85521	1.5
217.99504	1.3
291.14496	83.4
292.14667	6.3
423.18701	100.0
424.19122	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	4.0
58.00441	3.8
58.17915	3.0
59.01250	88.9
61.98706	6.3
70.38478	7.6
71.01256	50.8
72.99171	6.1
73.02810	11.7
75.00744	4.0
83.01266	3.8
85.02817	15.0
87.00749	5.1
89.02311	53.7
93.49789	2.8
99.00785	5.4
99.07980	3.9
101.02333	30.8
101.87613	2.9
113.02316	21.5
119.03397	17.0
130.96718	3.5
143.07059	19.3
161.04396	7.5
171.10237	3.5
179.05519	9.4
181.12286	6.3
199.11455	5.6
199.13339	97.3
200.13702	6.5
201.11206	8.0
225.68591	3.0
243.09830	6.2
243.12338	100.0
244.12700	8.5
291.14465	4.5
307.13940	3.9
363.16605	27.1
405.11661	3.6
423.18710	54.1
424.18848	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	423.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93646	0.8
55.01745	4.8
55.93756	0.7
57.03333	5.1
59.01253	35.4
61.98693	0.7
71.01255	50.8
72.99166	3.6
73.02821	29.7
75.00729	1.5
75.10152	0.7
83.01262	11.6
85.02829	28.9
85.99953	2.3
87.00748	3.0
88.30888	0.7
89.02316	9.5
95.01264	5.3
97.02841	2.7
98.19775	2.1
99.00768	14.4
100.71529	0.7
101.02325	52.5
102.02617	1.1
111.00758	2.3
113.02335	20.9
119.34759	0.7
125.02266	1.6
127.11185	0.8
131.03389	2.1
143.03387	2.2
149.04518	0.8
159.02881	3.6
161.02434	0.8
161.04466	18.8
192.94156	0.7
199.03688	0.8
205.03464	1.2
223.13382	1.6
225.14699	0.9
255.23244	1.1
256.03659	1.4
268.00253	0.8
284.03308	5.9
285.03711	1.1
291.18149	77.7
292.18536	6.7
317.54471	0.9
335.17166	1.0
351.05731	1.5
415.54706	0.9
423.22342	100.0
424.22684	13.4
448.98456	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96275	0.4
70.20563	0.3
70.37708	1.1
78.60936	0.3
78.95774	14.3
94.98890	0.4
104.97363	0.5
110.98411	9.7
136.99937	0.3
167.01067	12.0
168.01462	0.4
185.02141	2.1
255.23268	100.0
256.23630	10.1
368.50534	0.3
382.71106	0.3
423.25177	17.4
424.25531	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18009	0.3
59.51564	0.3
70.37724	1.1
78.95315	0.7
78.95774	14.5
94.98896	0.5
104.97330	0.3
110.98415	8.9
129.40137	0.3
137.00006	0.4
146.64796	0.3
152.99341	0.5
167.01065	12.8
181.02229	0.3
185.02130	2.8
189.53062	0.3
214.66101	0.4
255.23276	100.0
256.23639	10.0
423.25198	19.0
424.25558	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	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49320	0.3
64.58846	0.3
69.31440	0.8
69.31851	1.8
78.95776	12.9
86.12825	0.4
104.97355	0.8
109.46706	0.3
110.98412	9.0
146.97537	0.4
152.99573	0.4
167.01070	10.3
183.90186	0.5
185.02109	3.4
208.44157	0.4
255.23270	100.0
256.23596	8.5
264.31683	0.4
286.13852	0.4
423.25177	17.2
424.25665	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	425.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88544	3.5
59.01252	53.0
71.01262	41.1
71.52168	6.8
72.99190	24.2
73.02821	11.5
75.00756	5.4
78.95770	8.9
83.01260	5.3
83.04964	3.7
85.02812	17.1
87.00746	11.1
89.02311	15.1
93.03324	7.7
96.95890	6.8
97.02836	10.6
99.00756	9.1
99.04386	11.5
101.02313	36.0
108.05656	4.4
109.02905	4.3
109.06470	9.6
113.02281	19.1
113.05978	4.4
119.04932	32.1
121.06507	8.1
122.03581	6.1
123.08045	6.6
125.05976	13.1
135.04399	13.9
135.24713	3.9
136.05177	4.0
137.02370	9.0
137.05980	4.8
137.09621	67.1
138.06752	12.5
139.07550	33.4
142.19452	4.5
148.05174	4.9
151.07541	62.5
152.04691	4.8
152.08339	24.9
153.09077	12.3
161.00980	7.7
161.02318	8.9
161.04454	17.2
163.03922	33.7
163.07491	7.1
163.11215	4.8
177.95117	4.3
179.03461	7.3
201.12798	25.1
203.10672	18.5
204.11469	32.6
207.10236	18.3
219.13858	58.9
220.14262	5.6
221.11804	100.0
221.13835	8.8
222.12120	9.2
225.11247	16.8
245.11818	10.2
263.12894	75.8
264.13214	6.1
287.12964	7.7
293.15958	30.7
307.29208	5.3
349.70004	4.8
349.93341	4.3
393.13309	6.5
425.20078	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1821
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
58.88544	3.5
59.01252	53.0
71.01262	41.1
71.52168	6.8
72.99190	24.2
73.02821	11.5
75.00756	5.4
78.95770	8.9
83.01260	5.3
83.04964	3.7
85.02812	17.1
87.00746	11.1
89.02311	15.1
93.03324	7.7
96.95890	6.8
97.02836	10.6
99.00756	9.1
99.04386	11.5
101.02313	36.0
108.05656	4.4
109.02905	4.3
109.06470	9.6
113.02281	19.1
113.05978	4.4
119.04932	32.1
121.06507	8.1
122.03581	6.1
123.08045	6.6
125.05976	13.1
135.04399	13.9
135.24713	3.9
136.05177	4.0
137.02370	9.0
137.05980	4.8
137.09621	67.1
138.06752	12.5
139.07550	33.4
142.19452	4.5
148.05174	4.9
151.07541	62.5
152.04691	4.8
152.08339	24.9
153.09077	12.3
161.00980	7.7
161.02318	8.9
161.04454	17.2
163.03922	33.7
163.07491	7.1
163.11215	4.8
177.95117	4.3
179.03461	7.3
201.12798	25.1
203.10672	18.5
204.11469	32.6
207.10236	18.3
219.13858	58.9
220.14262	5.6
221.11804	100.0
221.13835	8.8
222.12120	9.2
225.11247	16.8
245.11818	10.2
263.12894	75.8
264.13214	6.1
287.12964	7.7
293.15958	30.7
307.29208	5.3
349.70004	4.8
349.93341	4.3
393.13309	6.5
425.20078	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	74.1
59.01498	14.3
69.41822	100.0
70.86397	13.9
71.01249	52.4
73.02808	31.8
75.00742	30.0
81.01905	12.3
83.01251	17.9
85.02814	18.9
89.02345	47.1
101.02348	66.0
102.77099	14.1
113.02282	17.3
119.04917	20.2
120.99515	28.0
123.90181	15.2
135.04507	21.9
163.03912	31.6
169.88403	12.5
424.63354	13.4
425.10791	17.7
425.19504	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01583	0.9
61.98707	0.4
63.90722	0.4
69.43179	2.2
69.43589	0.9
71.01264	2.8
72.99191	0.4
73.02829	0.5
85.02838	0.9
85.12714	0.4
87.00763	0.5
89.02309	2.6
96.47893	0.4
101.02342	1.5
113.02365	0.9
115.90074	0.4
117.03393	0.7
119.03418	1.3
119.04958	0.8
121.02842	0.7
124.75359	0.4
133.02879	0.7
135.04398	1.0
137.02400	0.5
145.02870	1.6
147.53619	0.4
148.05196	7.8
161.02354	2.3
161.04544	0.5
163.03943	0.5
163.07578	7.6
174.30927	0.4
179.03384	0.9
185.13358	2.3
199.13257	0.8
247.13454	1.8
273.13962	0.5
307.08295	1.3
368.13171	0.5
427.19693	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	427.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54343	0.4
52.15764	0.3
59.01255	4.9
59.39821	0.3
66.37772	0.3
69.68871	1.4
71.01255	2.8
72.99166	0.3
73.02831	0.5
75.81829	0.4
78.95770	6.5
78.96214	0.4
80.02538	2.0
81.03323	1.8
83.01270	0.4
83.04899	7.6
84.02051	2.1
85.02844	0.7
87.00735	0.5
89.02327	0.7
92.09293	0.4
93.03321	0.5
95.04906	0.8
96.95879	0.4
101.02331	0.8
103.03866	0.8
109.06510	0.6
110.98421	5.3
113.02353	0.4
121.06467	0.4
125.05985	0.9
126.75023	0.3
135.07993	0.8
137.09637	3.1
147.04483	0.5
147.11728	0.4
152.99583	0.4
157.04926	0.4
160.01518	0.4
161.02420	0.3
163.11211	5.7
165.12775	3.9
167.01129	1.8
167.02338	0.4
175.03908	0.5
181.12277	0.8
185.02158	4.9
191.10744	1.4
199.13246	0.3
209.11778	100.0
210.12129	7.5
227.12849	26.0
228.13187	1.6
259.15494	0.7
395.14664	4.5
420.17886	0.3
427.17276	18.0
428.17706	1.9
449.61163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	6.0
61.98713	0.6
64.42226	0.4
69.39424	0.7
69.39758	3.4
70.99132	0.4
71.01260	3.1
71.04926	0.5
72.99210	0.5
73.02831	0.5
74.25755	0.4
78.95775	18.8
80.02560	1.8
81.03327	2.3
83.01263	0.6
83.04899	8.5
84.02053	1.6
85.02831	1.0
86.95849	0.4
89.02334	1.6
95.04916	1.2
96.95885	0.5
101.02329	1.4
104.97377	0.8
109.06449	0.4
110.98415	14.9
110.99152	0.9
111.08031	0.5
113.02328	1.0
119.03400	0.4
119.04923	0.9
125.06008	0.8
127.48688	0.5
135.08034	1.3
136.52576	0.5
137.02374	0.5
138.11887	0.5
139.67451	0.5
147.04469	1.7
147.11652	0.5
152.99464	0.9
160.01566	0.6
160.03920	1.2
160.27710	0.4
161.02342	0.7
163.03938	0.7
163.11208	6.3
165.12790	3.6
167.01074	13.0
175.03940	0.8
179.03471	0.5
181.12239	0.8
185.02129	3.2
185.13354	0.5
191.10690	1.1
199.09705	0.5
209.11775	100.0
210.12109	6.6
227.12856	16.5
228.13091	1.0
242.55272	0.4
247.13438	0.6
282.62485	0.4
330.06152	0.5
395.14761	18.4
396.15009	1.7
400.57928	0.4
427.17310	30.5
428.17670	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	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49218	0.9
57.03317	4.6
59.01250	93.9
60.01574	1.6
64.62975	0.9
69.03329	1.0
71.01254	54.6
71.04921	0.9
73.02810	12.7
80.63306	0.8
81.03345	2.1
83.01254	5.1
85.02818	6.8
87.00771	1.3
89.02318	7.4
93.03350	2.2
95.08501	1.2
97.02825	2.0
99.00768	1.9
99.04372	2.5
101.02324	11.8
103.03886	26.3
105.03811	0.9
109.02840	6.3
109.06425	1.0
111.04406	1.3
113.02318	5.1
119.03374	1.5
121.06491	16.4
123.04404	4.1
123.08029	1.6
125.02312	2.9
125.05997	1.5
133.06508	1.9
135.08064	1.1
136.05202	3.0
137.02325	3.5
137.09618	100.0
138.09984	6.1
139.07495	1.4
143.03383	1.3
145.02934	1.1
149.06013	2.5
151.07564	4.2
151.11183	1.6
152.08244	1.5
152.99416	1.1
153.09111	24.0
157.04964	16.4
161.02367	1.2
161.04489	2.6
161.09607	3.1
165.09183	1.4
175.03848	1.2
175.07536	2.3
177.12743	3.0
179.10693	5.1
180.10907	1.4
187.11127	1.4
189.09189	1.1
199.13376	5.1
203.05539	1.6
205.12274	17.6
206.12735	1.4
221.11777	1.4
223.13338	96.8
224.13719	7.6
233.06699	1.5
247.08194	14.8
289.09384	1.8
293.08963	1.0
307.10532	1.0
367.17651	4.4
385.18735	4.2
427.20248	8.4
428.20221	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	427.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65178	0.7
54.96015	0.8
55.01738	1.7
56.83088	0.7
57.03312	3.2
58.00463	2.0
59.01251	54.2
60.00375	0.8
61.21026	0.9
61.98724	1.0
69.36414	1.9
69.36818	4.6
71.01250	31.3
72.99165	3.9
73.02815	9.6
75.00748	1.4
81.03321	0.9
83.01255	4.8
85.02813	10.3
87.00748	3.7
89.02316	19.9
93.03298	1.0
95.01257	2.7
96.95888	2.5
97.02811	1.1
98.19831	1.5
99.00740	2.6
101.02324	24.6
111.00777	1.2
111.04414	4.4
113.02339	10.7
117.03352	7.2
119.03380	7.3
119.04932	2.4
125.23082	0.9
133.02869	2.2
135.04451	1.3
137.05998	1.0
137.09637	1.3
143.03464	0.9
145.02855	34.2
146.03198	2.2
161.02380	7.0
161.04446	5.2
162.52449	0.8
163.03920	5.3
167.05750	1.4
179.03380	1.7
179.05540	1.6
185.13281	1.7
187.11111	4.1
190.09944	0.9
203.14345	9.2
205.12241	1.8
209.57826	0.9
218.07088	0.8
225.51448	1.0
233.11882	1.0
243.71289	1.0
247.13312	0.9
257.00223	0.9
259.13358	1.3
262.51196	0.8
265.10770	1.2
265.14337	1.2
320.83932	1.0
427.20071	100.0
428.20425	15.8
453.31879	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2336
Annotation	Nummularine F
Peak:m/z	Relative Intensity
53.98502	0.6
54.38733	0.7
54.89969	0.7
55.01756	0.7
56.13936	0.7
57.03321	1.5
58.00467	2.5
59.01254	43.1
71.01257	25.1
71.52157	0.8
72.95054	0.7
72.99185	3.0
73.02816	1.5
76.90528	0.7
80.14127	0.7
83.01248	2.4
85.02827	6.3
87.00751	1.3
89.02320	19.7
89.02840	1.4
93.05826	0.7
95.01281	2.2
99.53885	0.7
101.02327	15.8
111.08025	0.9
111.59532	0.8
113.02338	8.6
119.03381	9.2
149.13237	1.2
161.04410	1.1
172.01888	0.7
247.16983	8.4
249.18645	1.0
265.18088	21.0
266.18384	1.9
348.88617	0.8
427.23352	100.0
428.23721	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	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01583	1.0
68.02939	0.6
85.17818	0.6
85.39117	0.6
91.03912	2.9
98.20588	1.4
195.13789	0.9
275.20435	0.7
293.21280	12.1
294.21686	2.0
375.78452	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04282	1.1
51.22614	1.3
59.01251	100.0
65.71689	1.1
69.33889	8.4
76.09898	1.2
88.89951	1.3
98.20551	3.2
98.58445	1.5
131.88530	1.3
157.08595	3.2
165.85683	1.5
200.36272	1.5
263.71130	1.5
293.21243	7.9
340.88113	1.4
427.29449	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	429.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79516	0.3
56.65981	0.3
59.01255	5.7
61.98684	0.5
71.01251	5.3
72.99187	0.5
73.02815	1.0
80.06163	0.3
83.01259	0.6
85.02808	2.1
87.00747	0.7
89.02322	4.3
89.11314	0.3
93.03342	0.4
99.00782	0.8
101.02331	3.9
105.72384	0.3
109.02849	0.4
112.04902	0.3
113.02319	1.9
117.03353	24.0
118.03654	0.7
118.98019	0.4
119.03426	1.2
119.04921	13.8
120.05246	0.6
121.02818	0.4
121.04964	1.6
129.01851	0.3
133.06494	0.5
135.04411	2.3
137.02377	0.4
143.03358	0.4
145.02859	100.0
146.03206	5.7
161.02411	0.6
161.04524	0.7
161.06030	1.4
163.03923	22.3
164.04265	1.3
167.03439	0.5
177.05484	0.8
179.05450	0.4
191.06682	0.4
205.05003	1.5
229.23341	0.4
235.06009	0.4
246.42673	0.4
265.07190	0.8
283.10373	0.5
307.08102	0.6
357.08185	0.6
429.13983	38.5
430.14328	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	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.0
57.03323	3.3
58.00471	2.3
59.01252	45.2
60.01582	0.4
67.01775	0.4
68.91328	0.3
69.03337	0.4
69.36483	2.5
69.36902	0.7
71.01254	47.0
72.01586	0.9
72.99180	2.4
73.02812	2.5
79.63813	0.3
83.01265	1.7
83.04935	0.4
84.02043	0.8
85.02824	34.4
86.03175	0.8
87.00734	2.5
89.02318	28.1
93.03329	0.5
95.01264	14.5
96.01647	0.5
96.95904	0.7
97.02834	0.4
98.19788	0.6
99.00768	2.1
99.22988	0.3
101.02327	11.2
103.03896	1.7
112.01620	0.5
113.02330	100.0
114.02661	3.3
115.03883	0.5
117.70660	0.3
118.36152	0.4
119.03397	6.8
125.02363	0.8
125.33569	0.3
127.03893	0.3
131.03413	1.8
135.04424	0.6
137.02380	0.6
143.03397	4.6
145.02896	0.8
149.04425	0.9
161.04471	14.4
162.04802	0.4
163.05986	1.0
171.10162	0.8
179.05522	2.7
191.05629	0.5
307.08078	0.4
393.17780	3.2
429.17126	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.0
71.46019	0.3
71.52100	0.2
91.87255	0.2
99.00768	0.3
99.92451	5.0
100.92560	0.5
100.93240	3.2
104.66116	0.3
109.07220	0.3
115.91963	100.0
116.91970	5.9
116.92753	5.5
132.92244	0.9
134.66745	0.2
142.94411	0.3
166.41609	0.3
172.95399	5.9
173.95500	0.4
255.23245	1.1
314.58871	0.2
331.06030	0.3
355.15753	0.8
371.15350	0.5
381.17487	0.9
403.94443	0.3
429.19577	3.7
429.33636	0.3
430.19974	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04825	0.6
50.55826	0.6
55.01752	0.7
57.03316	0.8
58.00459	1.3
58.49827	0.6
59.01251	100.0
60.01588	1.0
69.62242	3.6
71.01252	21.9
72.99199	1.8
73.02836	2.3
74.25281	0.6
77.73901	0.5
78.85609	0.8
78.95803	1.0
83.01264	1.0
85.02816	5.3
87.00766	1.4
89.02316	25.9
95.01274	1.1
96.95927	0.9
99.00759	0.7
101.02320	10.7
102.99627	0.6
113.02341	9.4
113.03057	0.7
119.03397	9.8
123.04465	0.7
131.03394	1.2
137.09705	0.8
138.34471	0.6
143.03419	2.3
149.04478	0.9
152.99498	0.7
161.04453	5.5
179.03336	0.8
179.05536	5.6
197.80255	0.7
205.12297	1.0
209.11801	0.8
210.12224	0.7
211.12424	1.0
223.13593	1.1
225.15086	1.1
225.92104	0.6
228.13342	0.6
249.11426	0.8
267.12292	0.9
267.16049	0.9
294.04739	0.6
297.13416	3.6
387.20441	0.8
429.17999	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	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.3
59.01250	100.0
60.01584	1.2
70.53571	0.6
71.01254	3.2
72.99181	1.5
73.02831	0.6
77.81838	0.2
78.95791	0.7
83.01285	0.3
85.02844	1.0
87.00741	0.5
89.02307	2.4
95.01317	0.3
97.02806	0.3
99.00763	0.7
101.02332	1.6
109.02847	0.3
109.06474	0.4
113.02336	1.3
115.73040	0.3
119.03416	0.8
121.02892	0.7
123.08044	0.4
137.02321	0.3
145.01329	0.3
145.02922	0.3
152.01057	0.4
152.99507	0.5
156.27614	0.2
161.04449	0.9
163.11298	0.3
171.10194	2.6
185.02113	0.4
196.85101	0.3
199.09760	0.9
201.11253	1.6
205.23605	0.3
207.10201	0.4
207.13850	0.7
223.13574	0.3
225.11380	0.7
237.35654	0.3
249.14894	0.3
267.16086	0.4
429.15417	1.1
429.21405	1.5
430.21085	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.5
57.21612	0.3
58.00471	0.8
59.01252	100.0
60.01591	1.1
61.98698	0.4
63.96473	0.3
69.54132	0.7
69.54527	1.8
71.01254	19.5
72.01606	0.3
72.99178	1.6
73.02818	3.0
75.00773	0.3
78.95797	1.1
83.01264	1.7
85.02828	5.2
87.00777	1.6
88.15350	0.3
89.02323	17.7
90.02689	0.5
93.03337	3.3
95.01265	1.5
96.95891	1.0
97.02837	0.8
98.20595	0.4
99.00742	1.9
99.04414	0.4
101.02327	11.4
102.02656	0.3
109.02892	0.3
113.02335	7.3
113.03077	0.5
119.03392	6.6
119.05014	0.4
120.64519	0.3
121.02836	0.3
125.02367	0.7
131.03387	1.1
135.04417	0.5
135.08084	0.3
137.02357	6.9
137.09618	2.3
139.00279	0.3
143.03391	1.7
145.02895	0.3
149.04478	0.7
152.99471	1.4
153.01855	0.3
159.02902	0.5
161.04477	3.6
161.13313	0.9
169.40663	0.3
179.05550	4.1
191.05453	0.3
199.52742	0.3
205.12291	2.7
223.13486	0.4
225.14873	0.8
248.67354	0.3
249.11263	3.0
249.15247	0.3
250.11836	0.3
297.13446	3.0
309.11877	0.3
370.10608	0.6
429.17276	2.9
430.17667	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.4
58.00459	1.4
59.01249	100.0
60.01586	1.1
71.01250	19.2
72.99199	1.3
73.02822	1.3
78.95783	2.2
83.01270	1.0
83.04899	0.4
85.02837	3.8
87.00748	1.8
89.02317	23.1
90.02643	0.6
95.01271	0.8
96.95883	1.9
97.02843	0.6
97.45732	0.4
98.20561	1.1
99.00783	0.7
99.04420	0.8
100.22896	0.4
101.02319	10.2
107.04950	0.4
113.02324	9.2
118.81177	0.4
119.03393	8.9
121.06503	0.6
125.02342	0.5
131.03447	0.9
135.04449	0.5
137.02422	0.8
143.03453	1.7
149.04439	0.8
152.99524	2.4
158.27287	0.4
161.04477	4.2
161.13312	0.9
165.05466	0.6
179.05521	4.2
205.12332	1.0
209.11903	0.6
210.12094	0.4
211.12447	0.8
223.13361	0.8
249.11331	3.0
267.12393	0.5
267.15863	0.4
297.13516	2.2
429.17062	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	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04825	0.6
50.55826	0.6
55.01752	0.7
57.03316	0.8
58.00459	1.3
58.49827	0.6
59.01251	100.0
60.01588	1.0
69.62242	3.6
71.01252	21.9
72.99199	1.8
73.02836	2.3
74.25281	0.6
77.73901	0.5
78.85609	0.8
78.95803	1.0
83.01264	1.0
85.02816	5.3
87.00766	1.4
89.02316	25.9
95.01274	1.1
96.95927	0.9
99.00759	0.7
101.02320	10.7
102.99627	0.6
113.02341	9.4
113.03057	0.7
119.03397	9.8
123.04465	0.7
131.03394	1.2
137.09705	0.8
138.34471	0.6
143.03419	2.3
149.04478	0.9
152.99498	0.7
161.04453	5.5
179.03336	0.8
179.05536	5.6
197.80255	0.7
205.12297	1.0
209.11801	0.8
210.12224	0.7
211.12424	1.0
223.13593	1.1
225.15086	1.1
225.92104	0.6
228.13342	0.6
249.11426	0.8
267.12292	0.9
267.16049	0.9
294.04739	0.6
297.13416	3.6
387.20441	0.8
429.17999	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	429.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22278	0.6
59.01254	100.0
60.01591	1.8
70.02583	3.1
89.02367	0.7
91.03880	1.6
97.72599	0.6
98.19897	0.7
174.04271	0.6
242.12614	0.6
295.22852	10.1
296.23163	1.3
339.91214	0.7
351.80865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41143	5.3
59.01254	100.0
60.01578	10.7
61.01670	9.0
61.98708	14.4
71.01255	7.3
71.52383	6.4
79.54463	5.1
89.02297	5.9
103.81058	5.3
121.48943	5.3
127.12133	5.3
142.91121	5.2
145.02855	20.6
152.99448	9.3
203.33102	5.2
223.20738	6.3
257.07257	5.6
285.20703	7.2
295.22601	7.5
301.96964	5.1
330.58160	5.2
430.30621	11.6
431.31989	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	431.0984
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
55.01776	0.4
57.03305	0.5
58.00458	0.4
59.01251	25.6
63.02267	1.0
65.00192	0.7
65.66133	0.3
69.03317	0.6
69.64584	1.2
71.01251	7.0
71.01619	0.5
72.99191	0.6
73.02814	1.6
83.01250	1.5
85.02822	1.7
87.00748	0.9
89.02316	6.4
95.01271	1.1
99.00787	0.6
99.04403	0.4
99.85143	0.3
101.02315	4.8
107.01265	2.3
109.06481	0.7
113.02329	3.2
117.03342	3.4
119.03373	2.3
119.04925	0.4
123.04417	2.1
135.04424	0.7
145.02858	8.6
146.03279	0.3
147.11681	0.8
148.01529	0.4
148.03944	0.3
149.02374	1.6
151.00276	4.0
158.03650	0.3
159.02908	0.3
161.02321	0.9
161.04436	1.6
163.03929	0.7
169.01323	0.6
171.04402	1.3
172.05191	0.9
179.03404	0.7
179.05545	0.7
183.04437	0.4
184.05276	0.4
189.12857	0.4
195.04547	0.3
196.05217	0.9
198.88321	0.3
199.03850	0.4
200.04733	0.5
207.13844	0.4
209.11809	0.3
211.03952	1.7
212.04657	0.8
223.03989	0.4
225.05574	0.4
227.03421	0.3
239.03462	3.5
240.04216	4.9
241.04692	0.5
251.12677	1.4
251.16385	0.4
263.15018	0.9
267.02991	2.3
268.03754	100.0
269.04446	29.7
269.13809	1.3
269.17432	0.3
269.51285	0.3
270.04935	1.9
283.06094	0.6
307.08328	1.8
311.05624	0.8
380.88412	0.3
395.19199	6.4
396.19153	0.6
418.25735	0.3
431.09756	79.0
432.10144	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	431.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	2.1
63.06052	0.4
65.03846	0.8
69.16482	3.7
83.04903	0.6
89.02353	0.8
93.03358	0.7
103.65063	0.4
108.02044	1.1
109.02853	0.9
113.02406	0.4
123.04366	0.6
136.01558	2.1
137.02341	100.0
138.02693	3.8
153.05476	0.7
179.53973	0.4
218.57484	0.4
431.11862	15.2
432.12323	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.156
Annotation	Zizybeoside I
Peak:m/z	Relative Intensity
55.01771	5.4
57.03320	5.5
58.00473	2.8
59.01252	49.9
61.98699	5.3
69.03315	1.5
69.36971	7.7
70.47104	1.2
71.01254	100.0
71.70638	1.0
71.88235	1.1
72.01596	3.2
72.99192	5.8
73.02814	26.1
83.01257	17.0
85.02827	44.5
87.00757	5.3
89.01771	1.3
89.02319	25.7
95.01276	5.7
97.02812	3.5
98.19839	2.0
99.00759	14.5
101.02324	72.6
103.03868	1.9
107.04908	1.5
112.01545	1.9
113.02335	42.2
114.02717	1.5
119.03398	9.7
124.03962	1.8
125.02349	5.9
129.01863	1.4
131.03386	3.0
137.02271	1.1
143.03403	5.1
151.03879	1.8
159.02904	7.9
161.04465	38.8
162.04820	1.5
165.05476	2.3
178.65521	1.0
179.05563	2.0
192.26907	1.2
203.65303	1.2
205.03334	1.8
221.06673	2.2
228.52245	1.1
229.33282	1.2
267.08890	1.2
269.10297	46.1
270.10632	4.6
304.55789	1.2
364.18036	1.3
388.12543	1.3
431.15607	47.6
431.22064	2.6
432.15771	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	431.1557
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
55.06163	1.9
55.65170	1.7
58.00479	5.4
59.01250	93.6
60.01581	2.4
62.10248	2.2
69.36163	14.0
71.01253	74.4
72.99197	5.9
73.02821	11.3
73.78540	1.7
83.01288	4.2
85.02808	15.2
87.00743	4.3
89.02315	100.0
93.03333	17.0
99.00749	18.8
101.02319	50.6
108.02051	3.1
113.02329	32.2
119.03393	27.2
119.04902	28.9
119.05708	1.9
125.02368	4.7
131.03384	14.7
137.02344	52.7
137.03302	3.4
137.06004	5.0
143.03423	4.1
149.04469	30.1
152.01088	5.3
161.04425	9.9
179.03436	2.7
179.05544	11.0
184.30098	2.0
185.71046	2.6
188.52660	2.2
191.05536	22.0
194.67169	1.8
199.60243	1.8
233.06723	7.6
250.93710	2.2
299.11334	46.6
300.11783	4.4
431.15872	84.8
432.16602	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	431.156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13488	1.0
52.86495	1.0
54.91901	1.0
56.64635	0.9
58.75866	1.0
59.01254	100.0
61.98701	2.6
69.36308	1.7
69.36707	7.7
71.01260	8.6
72.99168	1.1
73.02808	2.5
83.01261	1.4
85.02824	1.5
89.02317	3.8
98.19735	2.3
99.00747	2.3
101.02332	6.6
111.03279	0.9
113.02353	2.4
113.36313	1.0
113.55926	0.9
115.46459	1.0
123.64709	0.9
137.02325	3.5
139.17120	1.0
139.18202	1.1
144.61139	0.9
151.03897	1.5
153.01797	1.9
161.02296	2.4
161.04443	1.9
161.42355	1.0
176.04646	3.1
179.03416	4.9
194.05746	7.5
209.08139	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	431.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.7
56.98962	0.4
57.03331	1.0
58.00475	1.5
59.01251	48.6
59.98397	1.1
60.01575	0.7
69.03355	0.7
71.01252	22.9
72.01593	0.6
72.80936	0.4
72.99188	2.3
73.02827	1.3
81.03317	0.5
83.01254	2.4
85.02820	7.5
85.03289	0.6
87.00762	1.7
89.02315	20.7
95.01266	1.9
99.00774	0.9
99.04395	25.3
100.04752	0.6
101.02320	10.5
102.02672	0.5
103.03876	2.9
111.04405	1.3
113.02328	7.9
119.03376	7.5
121.06476	1.0
143.03407	1.0
149.04410	0.7
161.04480	1.3
179.05562	1.2
181.08701	0.6
183.10173	3.3
189.12746	5.4
190.13205	0.7
197.11765	1.6
207.13835	28.9
208.14244	2.1
209.11761	1.6
210.79500	0.5
225.11259	1.4
231.14127	0.6
233.11777	1.4
251.12852	100.0
252.13219	8.2
265.09344	1.0
269.13968	5.8
326.48260	0.5
431.19128	37.8
432.19476	4.9
449.94711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71311	0.6
55.01757	0.9
57.03326	1.1
58.00472	2.5
59.01252	95.8
60.01593	1.1
69.16106	6.9
71.01255	37.3
72.01586	0.7
72.99184	2.8
73.02827	3.9
75.00750	0.8
81.72738	0.7
83.01269	3.3
85.02831	8.7
87.00766	1.9
89.02317	31.7
95.01270	2.8
97.02837	0.8
97.06482	1.5
99.00760	3.5
99.04399	17.4
99.62083	0.6
101.02323	19.4
102.02673	0.6
111.04360	0.8
113.02341	14.8
114.47726	0.7
115.07529	1.6
119.03391	13.0
119.04237	0.8
128.23270	0.6
131.03418	1.5
135.04413	0.6
135.43802	0.6
139.00229	0.6
143.03406	2.3
145.02785	1.1
159.02893	0.9
161.02370	1.0
161.04474	5.3
162.03137	1.1
163.14865	0.7
179.03355	0.9
179.05531	3.9
189.12770	3.8
195.10204	0.8
207.13855	21.6
208.14224	1.6
221.04410	0.7
227.03401	2.8
227.06946	1.4
233.11697	0.7
251.12869	100.0
252.13222	7.9
255.03014	3.6
256.03531	0.7
269.13809	1.1
269.17511	1.0
284.03345	3.9
285.03983	5.5
331.17523	0.6
371.20782	3.8
389.21744	1.5
431.10178	3.1
431.18820	22.7
432.19308	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10195	0.4
55.01757	0.8
57.03314	2.5
59.01251	52.0
69.03314	1.6
70.54021	2.0
71.01260	13.3
71.11972	0.5
72.99181	0.9
73.02821	13.2
75.00764	0.7
83.01263	13.9
83.04932	0.8
85.02826	2.9
87.00740	0.8
89.02318	4.5
91.04144	0.7
95.01262	1.6
95.01849	0.5
97.02841	0.6
97.06456	0.6
99.04396	15.3
101.02325	11.0
109.06467	0.7
111.04362	0.6
113.02343	6.7
119.03410	1.3
121.06573	0.8
125.02357	0.6
131.03351	1.0
133.02896	0.6
135.04420	1.6
137.02299	0.8
143.03394	1.2
150.03113	0.9
161.02348	2.1
161.04497	1.7
163.07503	0.9
163.11264	0.7
165.12741	4.7
179.03423	2.1
189.12738	2.7
207.13861	11.6
209.11774	37.1
210.12085	2.8
225.14957	6.6
231.14032	0.9
251.12865	5.0
252.12459	0.8
267.15952	1.0
269.13947	100.0
270.14282	7.7
275.12909	2.4
311.15079	5.7
341.16116	1.9
371.17065	6.8
372.17487	1.2
388.34525	0.6
416.15604	1.0
421.30936	0.6
431.18967	12.1
432.18781	0.9
432.22418	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2204
Annotation	PA(18:3(6Z,9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
61.75592	0.3
66.64874	0.3
69.40595	1.0
69.41022	1.2
75.30512	0.3
78.95776	54.9
84.16275	0.3
96.51394	0.3
96.96843	6.0
105.03747	0.3
123.67718	0.3
132.12155	0.3
141.27910	0.3
150.97937	2.3
152.99492	100.0
153.99832	1.8
171.00569	4.7
181.13249	0.4
193.91345	0.3
263.20212	0.7
277.21881	0.7
431.22073	5.8
432.22546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46683	0.4
55.39795	0.4
55.83883	0.4
57.03325	4.0
57.14334	0.4
59.01256	7.6
64.81124	0.4
65.36867	0.4
66.39038	0.4
69.03339	0.5
71.01261	1.6
71.51118	0.5
79.03075	0.4
83.04890	0.4
85.02826	0.7
88.79613	0.4
89.02361	0.6
95.04912	1.1
97.06470	13.2
103.72890	0.5
113.02358	0.8
123.08056	5.9
125.09626	100.0
126.09958	3.9
143.10718	1.5
161.02158	0.5
169.08621	3.2
177.73502	0.4
187.09700	86.9
188.10045	4.7
225.11342	0.5
243.12311	0.9
254.79625	0.5
261.13461	20.8
262.13724	1.0
269.71902	0.5
369.09018	0.5
394.59671	0.5
431.22778	51.2
432.23178	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	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.5
57.03303	0.4
59.01251	100.0
60.01603	1.3
69.03344	0.5
71.01256	6.7
71.29457	0.5
72.99173	0.4
73.02824	1.8
83.01264	1.2
85.02837	2.6
87.00756	0.5
89.02312	3.8
93.03367	0.4
99.00758	0.8
99.04404	0.5
101.02327	4.9
103.03892	0.5
113.02338	3.1
119.03388	1.8
125.02386	0.4
159.03006	0.4
161.04471	3.1
162.03168	0.6
165.12796	1.5
183.10280	0.4
191.14323	0.9
207.13840	1.0
209.15413	0.8
221.04607	0.5
247.86816	0.4
251.12914	1.1
264.27115	0.4
269.14053	1.7
269.17679	0.6
293.17767	0.6
371.20810	1.4
387.52258	0.4
431.19345	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76397	0.1
55.01749	0.2
57.03320	0.7
58.00472	0.2
58.64624	0.1
59.01252	100.0
60.01579	1.0
69.35949	1.2
71.01257	6.7
72.99179	0.4
73.02822	1.7
82.24364	0.1
83.01265	0.4
83.04931	0.2
85.02818	2.5
85.03290	0.2
87.00767	0.5
89.02320	4.6
89.02835	0.3
95.01269	0.5
97.06506	0.1
99.00750	0.9
101.02325	4.2
102.02660	0.1
113.02332	2.8
114.02712	0.2
119.03378	2.0
143.03447	0.6
143.89178	0.1
145.02802	0.2
159.02983	0.4
161.02434	0.2
161.04460	3.3
161.05641	0.2
179.05547	0.8
204.23039	0.1
285.00134	0.2
413.21973	0.2
431.23151	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	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83823	0.2
55.01770	0.3
59.01252	100.0
60.01588	1.1
60.23481	0.2
66.58937	0.2
69.21625	0.2
71.01258	6.2
72.99163	0.3
73.02818	1.5
75.00751	0.2
83.01283	0.5
85.02827	2.3
87.00762	0.5
89.02319	4.7
95.01290	0.7
99.00734	0.5
101.02332	4.8
113.02326	3.1
119.03378	3.0
125.02376	0.4
131.03397	0.3
143.03473	0.8
154.06119	0.3
159.03011	0.3
161.04475	3.2
173.91856	0.2
179.05562	1.4
191.51553	0.2
196.71545	0.3
230.20116	0.3
269.13861	0.3
353.19745	0.3
371.20697	5.1
372.21277	0.7
415.19955	0.5
431.23447	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.3
57.03321	0.7
58.00477	0.2
59.01251	100.0
60.01587	1.1
67.27435	0.1
69.03347	0.2
69.63908	0.6
71.01253	7.5
71.77067	0.1
72.01598	0.1
72.99193	0.5
73.02822	1.4
73.79738	0.1
74.24001	0.1
75.00739	0.2
83.01253	0.7
83.04898	0.2
84.49362	0.1
85.02822	2.5
85.03291	0.2
87.00763	0.6
89.02315	4.7
95.01284	0.4
96.74390	0.1
97.02873	0.1
99.00768	0.6
101.02319	4.5
113.02328	3.0
113.03065	0.2
117.03393	0.2
119.03393	1.8
125.02367	0.2
131.03433	0.2
135.04402	0.2
137.09637	0.1
143.03450	0.4
145.02919	0.5
149.04530	0.2
159.02960	0.4
161.02365	0.4
161.04460	2.9
179.03442	0.3
179.05568	1.0
179.40981	0.1
197.11760	0.1
205.03474	0.2
209.15450	0.3
237.32516	0.1
251.12912	0.1
326.31799	0.1
329.06158	0.1
371.20898	0.4
431.13885	0.2
431.18732	0.3
431.23123	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01583	1.3
71.01244	5.1
71.31370	0.9
72.99181	0.5
73.02838	0.9
83.01248	0.9
85.02821	1.3
89.02312	7.5
96.22343	0.5
99.00787	0.7
101.02328	4.0
113.02329	3.0
117.03334	3.0
119.03394	2.1
119.04873	0.8
123.04384	3.6
143.03383	0.9
145.02844	13.4
146.03035	0.5
161.04480	1.9
163.03877	1.0
179.05594	1.6
200.29329	0.7
288.54037	0.6
291.68509	0.6
307.08206	2.3
339.78046	0.6
403.89914	0.6
431.13586	2.4
441.88651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16242	0.3
59.01252	3.1
61.55614	0.4
62.66254	0.3
70.25884	0.7
70.26244	0.9
75.97244	0.3
90.25005	0.3
93.03335	0.4
110.98436	0.5
110.99277	0.3
117.03350	16.5
117.37141	0.4
118.03689	0.7
119.04917	26.5
120.05258	1.2
121.02829	1.9
123.04355	0.5
145.02856	100.0
146.03186	4.8
163.03925	18.8
164.04239	0.7
177.34166	0.4
263.20187	5.6
267.19720	1.6
285.20743	8.1
286.21097	1.0
344.37076	0.4
413.24188	0.4
431.24384	26.7
432.24628	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	431.244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	2.4
76.86897	0.2
78.95791	0.8
89.02299	0.3
93.03338	0.3
108.02087	0.2
117.03352	18.0
118.03712	0.7
119.04922	27.1
120.05243	1.2
121.02842	1.7
123.04410	0.8
133.02892	0.4
134.03625	0.2
145.02863	100.0
146.03186	5.0
152.99525	0.8
162.03085	0.2
163.03928	20.3
164.04295	1.1
184.11687	0.2
267.19669	1.8
285.20724	8.6
286.20990	0.8
413.23279	0.6
431.24368	25.6
432.24716	4.8
451.72833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1141
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03187	0.5
57.03431	0.8
57.94936	0.4
58.00309	0.5
58.00565	0.8
59.01054	11.4
61.98838	1.2
63.02063	0.7
63.02415	1.5
64.99964	1.6
65.00348	3.8
69.03122	0.5
69.03461	0.8
69.22621	3.4
71.00965	5.1
71.01410	15.5
71.05000	0.5
72.99337	1.4
73.02535	0.6
73.02975	2.1
73.53287	0.4
78.82870	0.3
83.00887	1.1
83.01434	4.2
83.14936	0.3
85.02424	0.9
85.02997	4.4
87.00410	0.6
87.00903	1.0
89.01872	2.8
89.02489	14.4
93.02868	1.0
93.03516	6.3
95.00877	0.5
95.01441	1.1
97.02955	0.6
97.06585	0.7
99.00902	0.8
101.01760	1.5
101.02500	11.4
107.00648	1.2
107.01459	10.6
108.02233	1.0
109.02340	0.4
109.03009	0.8
109.06642	1.0
111.00883	0.5
113.02518	7.0
115.04010	0.5
119.02695	0.9
119.03484	8.5
119.05099	32.9
120.05428	1.4
121.02965	0.6
125.02500	1.3
131.03545	0.5
135.04506	0.6
136.01718	0.7
137.02452	0.5
141.05469	3.9
142.52199	0.4
143.03522	0.9
145.03018	1.1
150.98567	1.1
151.00281	38.9
152.00877	1.2
153.02008	0.5
155.10706	4.1
161.02493	0.8
161.04636	1.6
164.01268	0.6
165.01849	2.0
169.01381	2.4
175.00291	1.7
175.04111	0.4
177.01883	5.3
177.03252	0.4
179.03526	1.0
179.05595	1.8
184.79207	0.4
185.06129	0.6
186.50851	0.4
191.14540	1.5
193.01482	1.5
197.11766	0.9
209.15556	1.7
227.07208	1.1
235.13470	0.5
253.14415	1.2
269.04486	0.4
271.06125	100.0
271.15540	2.1
271.19086	1.5
272.06491	9.5
295.06030	1.7
313.07245	1.8
415.19308	0.4
433.10846	1.0
433.20233	33.1
434.10577	1.1
434.20789	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	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.6
58.00472	0.6
59.01250	100.0
60.01590	1.0
61.01669	0.3
61.66063	0.3
69.63691	1.5
69.96165	0.3
71.01251	8.8
72.99194	0.6
73.02821	2.3
73.66180	0.3
77.74147	0.3
78.95808	0.4
83.01279	1.1
85.02833	2.4
86.71986	0.3
87.00754	0.8
89.02318	6.4
89.02833	0.6
95.01292	0.4
98.88321	0.3
99.00790	0.7
101.02328	5.5
111.00839	0.4
113.02326	3.6
119.03365	2.2
125.02324	0.6
134.31319	0.3
141.95248	0.3
143.03403	0.6
149.04445	0.3
155.71298	0.3
161.04546	2.1
170.66850	0.3
179.05623	1.1
197.11815	0.6
236.53078	0.3
250.36160	0.3
253.14523	0.3
271.19247	0.8
313.17108	0.4
331.17911	0.4
358.10431	0.4
375.70633	0.4
433.20618	2.0
433.24820	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	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32207	0.2
55.01751	0.2
58.00470	0.2
59.01252	100.0
60.01584	1.6
61.01691	0.4
61.98708	0.8
68.72631	0.2
69.52262	1.2
71.01258	4.3
71.01617	0.3
73.02834	0.8
78.93311	0.2
83.01292	0.3
85.02831	1.3
87.00748	0.3
89.02315	2.7
90.02671	0.3
95.01284	0.5
99.00778	0.3
101.02325	2.3
107.60018	0.2
113.02335	1.6
119.03398	1.0
143.03436	0.4
152.04169	0.2
159.02925	0.2
161.04530	1.0
179.05582	0.6
192.66473	0.2
197.11824	0.3
313.16623	0.3
319.01593	0.2
331.17700	0.4
373.22488	0.7
433.20068	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47424	0.9
55.01752	2.1
57.03320	7.5
58.00460	3.1
59.01251	93.6
60.01568	1.5
61.98719	1.5
67.01761	2.1
67.34140	1.0
69.03326	3.8
71.01253	56.6
71.04879	3.7
71.07054	2.1
72.99189	7.7
73.02814	6.9
80.02534	3.6
81.03332	13.2
83.01253	6.1
83.04884	2.3
85.02831	14.2
87.00743	3.4
88.27129	1.0
89.02318	43.9
91.05412	2.5
93.03341	7.2
93.06959	3.4
94.25371	0.9
95.01250	7.2
95.04916	5.4
97.02825	4.6
97.06469	4.2
98.03637	1.0
99.00723	2.6
99.08031	2.3
101.02324	35.9
107.04908	14.9
108.02058	2.1
109.06476	100.0
110.06815	4.8
111.04327	2.3
111.08026	1.6
113.02335	18.1
113.09601	7.0
115.03852	1.4
119.03402	19.1
119.04853	2.2
121.02866	1.4
123.00764	3.7
123.04416	3.2
124.01588	1.2
125.02306	1.8
127.00225	1.5
127.07515	4.4
128.08315	1.3
129.09045	5.2
131.03447	0.9
135.04373	1.8
135.11679	1.5
137.02356	1.9
138.03102	1.1
138.06796	1.1
139.00281	4.7
139.03915	6.8
139.11150	3.6
141.05473	6.6
143.03416	2.1
145.02916	2.4
149.04457	1.8
151.00249	1.2
152.00986	2.3
153.01801	1.8
153.05516	4.9
153.12738	2.2
155.10666	1.7
159.02803	1.0
161.02376	1.8
161.04417	4.3
167.03433	4.8
169.12177	1.3
171.06575	7.4
177.01826	2.7
177.05502	2.6
178.02588	3.8
179.03378	1.6
179.05530	3.0
181.04913	1.4
191.03386	1.8
191.12756	1.7
191.14355	25.0
192.14624	2.4
193.05005	3.3
197.11783	9.9
206.28206	1.0
207.06711	1.3
209.11981	2.1
209.15417	56.7
210.15733	3.3
218.05968	1.5
218.52724	1.1
235.13339	4.0
253.09119	1.5
253.14436	24.3
254.14761	1.6
271.15311	3.2
271.19089	2.2
338.26068	1.1
358.10556	2.3
373.08902	1.2
373.12949	12.3
391.57513	1.2
403.09937	2.7
403.14117	2.9
418.12726	4.0
433.14917	22.4
433.20728	23.1
434.15210	4.1
434.20895	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	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.9
57.03323	0.6
58.00452	0.9
59.01253	11.3
71.01252	13.7
71.08938	1.3
72.99178	1.4
73.02833	4.3
75.00746	85.8
76.01092	1.1
82.01283	0.4
83.01252	1.8
85.02813	4.1
87.00740	2.0
89.02317	3.7
94.58770	0.5
95.01210	0.6
99.00751	3.4
101.02318	7.6
108.74775	0.4
113.02336	3.1
117.01804	1.9
119.03389	1.1
129.01807	0.8
134.93460	0.5
161.04475	1.0
165.12764	0.5
179.14203	0.6
183.13826	13.7
184.14157	0.9
191.05609	0.5
193.07062	1.2
195.13887	6.9
196.14131	0.6
197.15323	0.7
207.13675	0.6
209.15332	1.0
213.14906	31.7
214.15250	2.6
218.09389	0.4
219.05052	6.5
223.08192	0.8
227.16428	2.9
237.06110	20.6
237.14876	1.4
238.06424	0.9
255.15971	1.8
433.20709	100.0
434.21005	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	433.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	3.6
58.00461	2.6
59.01254	100.0
69.42094	5.6
69.42520	7.0
71.01254	38.8
72.99191	4.8
73.02795	4.6
75.00785	1.9
83.01247	5.4
85.02827	10.0
87.00758	4.4
89.02319	27.2
95.38786	1.9
99.00754	2.4
101.02317	21.0
105.27232	1.8
110.58857	1.8
111.65469	1.7
113.02351	12.5
119.03378	11.0
161.04477	7.7
189.12714	3.0
207.13742	2.0
253.14465	12.0
319.18149	2.1
415.19647	2.4
433.20789	67.1
434.21066	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	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.6
56.99688	0.7
57.03319	2.6
58.00462	4.3
59.01249	100.0
59.42969	0.7
60.01579	1.4
69.03344	0.7
71.01252	79.2
72.01598	1.5
72.99182	6.1
73.02818	31.2
75.00777	0.9
83.01236	5.4
85.02823	21.6
87.00749	4.0
88.54238	0.6
89.02315	82.4
90.02657	1.3
91.38832	0.6
95.01275	6.9
97.02839	0.9
99.00755	93.8
99.77460	0.6
100.01092	2.3
101.02320	42.8
102.02686	1.3
108.02053	1.9
111.00795	0.7
113.02328	53.9
113.94131	0.6
114.02663	1.5
115.03828	0.7
119.03383	24.1
120.03642	0.6
125.02336	1.1
131.03404	15.1
134.03519	0.6
135.04395	0.6
143.03401	5.8
146.41086	0.6
149.04462	38.9
150.04790	1.0
152.01013	0.7
161.04462	22.5
162.04906	0.8
179.05548	7.5
181.37827	0.5
191.05527	36.1
192.05861	1.5
233.06598	4.0
265.06281	0.7
293.08667	0.8
301.16550	9.7
390.50903	0.6
433.20642	39.8
434.21042	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	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.7
57.03315	0.7
58.00470	1.1
59.01250	100.0
60.01583	1.5
67.43327	0.6
71.01253	14.9
71.51700	0.9
72.01654	0.7
72.99184	1.6
73.02821	3.7
73.33621	0.6
75.00701	0.6
83.01268	2.3
85.02826	4.9
87.00765	1.8
87.04420	0.8
89.02312	10.4
93.03352	1.7
95.01273	1.5
96.00925	0.6
99.00799	1.6
101.02312	9.3
105.06790	0.6
113.02326	7.1
119.03400	5.1
119.85498	0.7
131.03426	0.9
135.04440	1.3
137.02347	3.5
143.03435	0.7
145.02840	0.7
149.04475	0.8
161.04527	2.8
179.05562	1.8
183.10223	0.7
207.00609	0.6
253.14409	1.0
255.05234	0.9
271.02588	1.1
271.19122	1.0
300.02966	1.4
301.03503	1.3
389.12497	1.7
433.07773	0.8
433.20282	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	433.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.6
57.03315	0.6
59.01251	100.0
60.01572	1.2
61.98706	0.5
63.61563	0.4
69.30698	3.6
71.01248	8.8
72.99180	0.5
73.02820	1.5
80.73308	0.4
83.01275	1.0
85.02824	3.1
87.00752	0.6
89.02330	4.9
89.45789	0.4
90.22978	0.3
95.01251	0.5
98.19817	0.6
99.00785	1.1
101.02320	5.7
106.35030	0.4
113.02345	3.2
119.03374	2.0
143.03429	0.9
159.02954	0.4
161.04469	3.5
179.05574	0.6
185.11772	0.8
236.11972	0.4
238.36998	0.4
250.18547	0.4
269.26941	0.4
373.22174	5.5
374.23050	0.7
391.31726	0.4
433.20657	1.5
433.25189	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2595
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.14518	0.2
58.08210	0.2
59.01258	1.2
70.99468	0.4
73.08600	0.2
84.97893	0.2
89.44170	0.2
90.32475	0.2
92.55014	0.2
93.09995	0.2
117.03353	15.9
118.03668	0.4
119.04919	24.5
120.05270	0.8
121.02840	1.5
123.04461	0.4
123.81659	0.2
133.02832	0.5
145.02858	100.0
146.03198	5.2
163.03923	18.0
164.04247	0.9
213.52568	0.2
269.21252	2.0
287.22296	8.5
288.22665	0.5
389.99872	0.2
415.25000	0.7
433.25934	36.8
434.26297	6.2
458.16345	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.4
59.13782	0.3
59.35334	0.3
61.38145	0.3
63.00983	0.3
63.11134	0.3
64.18944	0.3
71.52393	0.4
75.06385	0.3
78.52850	0.3
78.95783	0.4
117.03351	16.6
118.03690	0.6
119.04918	26.2
120.05244	1.1
121.02837	2.1
123.04405	0.6
133.02844	0.6
145.02855	100.0
146.03212	4.8
153.16771	0.4
162.03192	0.4
163.03922	18.4
164.04240	1.1
181.81949	0.3
197.95273	0.4
269.21237	1.9
287.22281	8.0
287.25293	0.6
288.22672	1.2
415.25137	0.6
433.25931	36.9
434.26227	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	435.0928
Annotation	7-O-Methylmangiferin
Peak:m/z	Relative Intensity
57.67002	0.9
59.01246	20.1
69.19219	9.2
71.01250	11.6
72.99191	1.3
73.02805	3.9
73.98164	0.8
75.00737	1.0
77.84618	1.0
83.01244	2.9
85.02827	8.1
86.89382	1.0
87.00779	1.2
87.99658	0.9
89.02311	2.7
93.03339	16.3
95.01257	3.2
96.99181	1.2
99.00756	2.8
100.04290	0.9
101.02318	8.6
103.58233	1.0
108.02048	67.4
109.02840	38.6
110.03187	2.2
113.02335	7.4
119.03365	1.7
121.02827	1.7
123.00742	2.2
125.02359	1.0
133.02878	1.1
134.44798	0.9
136.01584	2.0
137.02335	27.5
138.02603	1.2
151.03879	1.8
152.01054	81.5
153.01839	27.4
154.02245	1.3
161.04410	1.2
163.03886	1.1
165.01819	2.1
174.29228	1.1
178.02467	0.9
179.03352	2.6
179.05397	1.5
195.06641	1.3
203.03319	1.1
231.02936	2.6
259.02325	5.7
260.03055	1.1
281.06662	7.4
307.14133	1.4
307.88757	0.9
315.07178	12.5
353.54248	0.9
391.10364	1.7
396.15213	0.9
435.09293	100.0
436.09750	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	435.093
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
52.38951	0.7
52.55359	0.7
56.57001	0.7
59.01245	4.4
59.03576	0.8
63.37267	0.7
69.10001	0.9
71.01251	2.0
78.73171	0.7
80.22594	0.8
81.03328	1.4
85.02829	2.0
93.03334	59.1
94.03664	1.7
95.01263	1.5
96.98676	0.8
97.24728	0.7
99.00743	0.9
101.02296	1.7
108.02051	62.8
109.02858	23.3
121.02868	1.5
135.04399	1.3
137.02341	90.6
138.02708	3.9
151.03929	1.0
152.01057	78.4
152.91943	0.8
153.01849	34.8
154.02165	1.7
163.03911	1.2
193.97244	0.7
260.12869	0.7
263.39746	0.7
297.06131	19.6
298.06448	1.7
315.07214	19.3
316.07523	1.6
324.82706	0.8
435.09296	100.0
436.09625	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	435.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.9
57.03312	1.4
58.00477	1.2
59.01250	100.0
60.01585	1.6
61.01683	1.1
61.98698	1.5
69.03346	0.8
69.17667	2.4
69.18089	3.3
71.01254	38.8
72.99188	1.9
73.02820	14.8
75.00761	0.8
83.01255	6.4
85.02822	9.3
87.00768	2.0
89.02314	25.0
90.02647	0.9
95.01266	1.9
96.92184	0.6
97.02844	0.9
98.20584	1.3
99.00763	1.7
101.02321	24.8
102.02681	0.7
108.02048	1.1
113.02317	13.5
113.66490	0.7
114.02679	0.8
119.03388	9.4
125.02377	2.5
131.03394	10.4
143.03371	3.5
149.04453	6.9
152.99504	0.6
155.03391	0.7
161.04485	8.0
179.05547	5.4
184.31601	0.6
191.05548	11.0
191.07121	0.8
203.05603	1.7
221.06667	1.4
233.06537	3.5
261.13394	3.6
303.14734	0.8
393.17590	11.5
394.18179	1.2
435.09717	0.9
435.23065	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	435.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91161	0.3
58.00478	0.3
58.67043	0.2
59.01252	51.5
60.01591	0.8
64.19776	0.3
69.11229	0.2
70.60536	0.5
70.60879	0.3
71.01260	2.9
72.99174	0.6
73.02824	1.1
73.15630	0.3
82.68496	0.3
85.02841	1.1
89.02320	1.9
95.01267	0.5
99.00765	0.6
101.02306	1.3
113.02331	3.7
116.38577	0.3
119.03387	1.3
140.00589	0.3
147.59621	0.3
161.04457	1.1
165.18221	0.3
183.13843	8.3
184.14198	0.6
193.15971	0.3
195.13840	8.0
213.14908	100.0
214.15248	7.4
214.17203	0.5
223.17070	0.4
227.16495	0.8
237.14890	0.6
249.14961	0.3
255.16028	1.2
267.16077	0.6
435.21255	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.6
57.03323	1.4
58.00466	3.9
59.01251	100.0
60.01590	1.2
61.53635	0.6
61.98690	0.9
71.01254	73.9
72.01571	1.4
72.99170	4.6
73.02820	26.9
75.00730	0.7
79.63247	0.7
83.01264	3.4
85.02819	19.6
87.00748	3.7
89.02319	85.6
89.99136	0.6
90.02670	1.6
95.01269	7.6
99.00759	97.1
100.01080	2.8
101.01637	0.7
101.02323	34.3
113.02331	54.8
114.02686	1.9
119.03387	23.7
120.45615	0.9
125.02294	1.2
131.03395	14.6
137.02420	0.9
143.03391	6.7
145.02864	1.4
146.55734	0.9
149.04459	43.6
161.04471	23.8
161.05843	1.4
162.04843	0.7
179.05508	8.8
181.03786	0.7
191.05545	50.2
192.05879	2.6
233.06635	6.8
247.87962	0.7
254.78656	0.7
280.92517	0.7
293.08774	1.3
303.18002	1.5
344.17960	0.9
435.22305	49.0
436.22681	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	435.2235
Annotation	HC Toxin
Peak:m/z	Relative Intensity
51.43888	1.2
53.07008	1.3
57.03311	2.0
57.66582	1.2
59.01252	97.0
59.25849	1.4
60.01581	1.8
71.01247	29.5
71.52881	1.8
72.99175	4.1
73.02826	11.9
75.00745	3.1
82.75197	1.2
83.01261	4.5
85.02826	15.7
87.00734	3.4
87.04370	1.4
89.02322	12.7
92.69302	1.2
93.03339	1.3
95.01261	2.0
99.00755	6.9
100.31787	1.3
101.02328	27.2
105.96283	1.3
108.01954	1.8
109.02812	4.6
111.00768	1.4
113.02330	12.1
115.03886	2.9
119.03386	5.8
137.02301	2.9
152.01044	2.5
153.01828	3.4
159.02931	2.0
161.02422	1.6
161.04454	4.1
179.03322	1.5
179.05559	2.3
183.04375	1.2
255.16003	3.1
311.37894	1.3
357.19073	5.2
417.21545	6.8
435.09689	4.7
435.22308	100.0
436.22653	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	435.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50973	0.3
59.01251	100.0
59.31157	0.3
60.01593	1.5
71.01253	4.2
72.99188	0.7
73.02824	0.9
75.78561	0.3
83.01275	0.6
85.02834	1.5
87.00735	0.5
89.02319	1.7
93.03369	0.8
99.00780	1.0
101.02338	2.2
108.02090	0.6
112.79973	0.3
113.02344	1.7
114.02769	0.3
114.33461	0.3
117.03410	0.3
119.03409	0.5
135.04440	0.3
137.02347	1.0
145.02861	1.1
152.01102	0.5
161.02345	0.5
161.04533	0.9
173.94067	0.3
199.13374	0.9
255.16048	0.4
321.74622	0.3
333.19427	0.9
375.20248	0.8
435.21762	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2516
Annotation	LPA(18:1)
Peak:m/z	Relative Intensity
57.25048	0.9
59.01246	2.0
70.57909	0.8
78.95773	58.4
96.95892	0.8
96.96816	5.1
98.19799	2.8
99.97936	0.9
110.98405	10.4
124.99973	3.4
150.97929	1.8
152.99486	78.5
153.99872	1.0
167.01056	12.2
171.00568	3.2
180.48744	0.9
185.02110	6.3
199.03711	10.9
208.07338	0.9
210.23557	0.9
253.21794	3.6
255.94514	1.0
267.23285	100.0
268.23648	9.1
281.24963	1.0
435.25110	20.5
435.34048	1.1
436.25562	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	435.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01131	0.4
59.01226	1.0
78.95316	0.8
78.95775	12.0
80.67853	0.4
81.66339	0.5
94.21649	0.4
96.95860	0.6
96.96834	0.8
110.98422	5.1
142.03676	0.5
142.72813	0.5
152.98318	0.9
152.99490	11.2
167.01031	4.9
171.00505	0.6
185.02089	3.3
199.03685	1.8
267.23270	100.0
268.23624	10.2
283.22879	0.4
313.96042	0.5
432.89270	0.5
435.25061	9.2
435.34406	0.5
436.25638	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	437.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	5.9
59.01244	5.3
67.01755	4.1
68.99694	0.9
71.01260	6.2
71.21891	2.1
72.99179	2.7
75.00751	2.9
78.95795	1.1
83.01260	2.6
85.02811	3.6
87.00745	2.0
89.02315	2.0
94.97954	1.4
95.01232	0.9
97.02798	1.1
99.00766	10.6
101.02332	4.1
101.05970	4.3
103.00240	1.4
111.00770	100.0
112.01100	3.8
112.98689	20.5
113.02361	1.5
115.00253	2.4
124.98604	1.0
127.00257	1.1
129.01862	4.1
129.05457	1.4
142.99782	23.4
145.01311	5.4
154.99722	1.3
155.01506	1.6
157.01306	1.3
161.04559	0.9
161.67462	0.9
167.03441	2.0
173.00842	11.2
177.29549	0.9
191.10484	0.9
195.94514	0.9
199.00452	1.0
231.03166	5.6
262.06268	1.2
263.05765	3.5
282.77249	0.9
405.04886	2.7
437.06870	40.3
438.07648	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	437.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	6.7
55.94751	3.7
57.03311	10.9
59.00956	5.1
59.01247	85.2
61.98705	4.5
71.01254	100.0
71.51104	7.0
71.75831	3.9
72.99160	8.8
73.02819	40.8
75.00742	13.0
81.07246	3.5
83.01252	15.3
85.02824	39.0
87.00746	9.3
89.02319	57.3
96.95893	4.7
99.00760	48.3
101.02321	63.7
111.00762	4.5
113.02328	48.6
119.03385	17.2
119.04857	4.7
125.02312	6.0
131.03430	6.7
133.98515	3.5
143.03369	8.6
149.04434	15.4
150.41771	3.7
161.02422	3.8
161.04428	27.4
179.05489	7.5
185.16090	3.7
191.05498	27.5
195.03171	4.2
201.11272	39.2
253.09340	5.3
257.14001	5.5
293.12357	12.7
305.16040	49.6
335.13431	9.3
437.15509	14.3
437.20496	64.7
447.95627	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	437.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98583	1.6
55.01753	4.1
57.03326	6.8
58.00470	4.1
59.01251	62.2
61.98735	1.5
63.48604	1.9
63.88662	1.8
69.03335	3.1
71.01255	100.0
72.01601	1.7
72.99174	4.1
73.02820	29.8
75.00761	2.7
81.03342	1.7
83.01260	9.3
85.02827	37.0
85.06479	3.0
87.00768	6.3
89.02320	55.0
95.01308	8.3
97.04153	1.9
99.00758	41.0
101.02322	58.8
102.02643	2.2
111.00747	1.7
113.02330	45.8
119.03411	10.4
125.02344	6.5
131.03374	11.4
140.82127	1.7
143.03418	7.8
143.10657	10.0
147.04433	4.2
149.04466	23.2
159.02919	9.1
161.04465	62.1
162.04732	2.5
164.01608	1.7
166.98206	1.7
167.03397	2.4
176.36568	1.6
179.05589	4.4
179.31772	1.8
191.05551	19.5
201.11230	8.2
233.06683	4.9
247.51299	1.8
260.32349	1.6
269.10373	4.2
293.08908	2.4
293.12338	4.2
305.16061	74.1
306.16589	5.8
377.18478	2.1
401.14664	20.3
402.14893	3.9
437.20337	43.1
438.20624	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	437.203
Annotation	Ebracteatoside D
Peak:m/z	Relative Intensity
55.01749	6.6
57.03313	9.8
59.01252	76.6
69.03318	2.4
71.01250	100.0
71.51769	2.4
71.52159	2.1
72.99170	8.2
73.02820	43.9
75.00748	6.7
77.69292	1.9
83.01260	20.2
85.02828	50.8
85.99928	3.2
87.00740	8.0
89.02312	47.1
95.01253	11.2
97.02818	3.3
99.00754	40.7
101.02319	81.0
111.00751	3.9
113.02334	43.0
119.03392	10.4
119.04858	2.9
125.02328	3.8
129.01788	2.4
131.03374	4.5
132.96671	2.1
137.02316	2.4
143.03418	4.3
143.10620	2.0
145.02899	2.4
147.04405	9.0
149.04451	10.4
159.02921	6.2
161.04456	29.7
179.05446	4.1
191.05537	13.6
201.11241	8.8
287.14801	2.6
293.12375	4.8
305.16061	86.8
306.16489	9.1
306.89020	2.0
437.20285	99.0
438.20621	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	437.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05001	0.6
52.59597	0.6
55.01759	1.4
57.03315	1.5
58.00452	1.0
59.01252	71.1
60.01584	0.7
69.42088	3.0
69.42507	1.9
71.01255	13.8
72.99174	1.1
73.02822	6.7
78.59490	0.6
83.01248	4.1
85.02824	8.0
87.00761	1.3
89.02299	2.3
95.01248	1.4
98.20555	1.2
99.00764	2.7
99.36579	0.6
101.02320	14.9
110.85104	0.5
111.00768	2.1
113.02345	6.8
115.02450	0.6
116.88274	0.5
135.04475	0.6
159.02904	1.2
161.04474	2.3
163.03864	1.2
187.76878	0.6
201.15652	0.8
215.16493	2.0
231.99066	0.6
232.29037	0.6
232.67833	0.6
377.21765	8.8
378.22128	2.0
393.18674	0.6
419.22943	4.9
437.23904	100.0
438.04965	0.8
438.24283	12.7
448.65018	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	6.3
57.03329	3.7
58.00463	2.1
59.00953	1.6
59.01250	33.8
69.03343	0.8
71.01251	48.6
72.99179	1.9
73.02820	29.0
75.00728	1.2
78.95779	1.1
83.01257	13.5
85.02822	28.3
85.99975	2.1
87.00746	2.9
89.02318	8.5
95.01270	4.3
97.02817	1.8
98.20187	4.3
99.00758	12.4
101.02322	50.2
102.02636	1.3
111.00754	2.3
112.01562	1.5
113.02326	20.6
114.02661	0.7
125.02348	1.3
129.01848	1.3
131.03412	2.0
141.12735	1.1
143.03439	1.7
145.51001	0.8
152.99498	1.4
159.02882	4.3
161.04457	17.7
178.78368	0.7
205.03374	1.2
209.11778	3.3
305.19681	83.6
306.20099	5.7
349.18500	0.9
437.23901	100.0
438.24301	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	437.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03600	1.0
52.45012	1.2
55.01752	1.5
57.03323	1.4
57.12245	1.0
59.01253	84.9
69.21700	1.1
69.38766	7.6
71.01254	23.3
72.99191	2.8
73.02821	5.7
75.00739	1.6
75.81933	1.2
83.01258	3.7
83.77961	1.2
85.02836	11.3
87.00771	2.3
89.02318	16.6
99.00769	4.1
99.01649	1.1
99.08016	3.3
101.02315	19.3
111.08030	1.4
113.02339	9.1
116.04921	3.4
119.03407	6.9
123.04402	4.3
125.02351	1.1
129.09116	10.8
143.03394	1.7
143.10681	1.7
161.02423	1.5
161.04498	3.1
161.59503	1.1
179.05530	3.2
215.16399	1.6
257.17578	23.8
258.17923	2.3
259.10870	2.2
289.52191	1.3
377.21869	7.2
419.22723	4.4
420.23059	1.3
437.23904	100.0
438.04715	1.7
438.24219	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	438.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.9
61.98702	100.0
70.61423	0.6
70.61753	0.6
81.27569	0.3
103.54745	0.3
107.07309	0.3
112.87263	0.3
150.22154	0.3
211.13506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.5
61.98702	100.0
64.79750	0.8
70.38767	1.7
70.39092	0.8
71.01242	0.9
89.02330	1.0
101.02373	0.9
164.07098	1.0
211.13287	3.7
248.85133	0.8
314.22845	0.8
367.12726	0.9
375.20151	8.8
439.17145	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39065	0.3
56.36686	0.2
58.00410	0.3
59.01249	1.4
64.23832	0.2
68.66753	0.3
69.45406	1.5
71.01247	0.8
72.27364	0.3
75.00739	0.4
78.95775	60.1
83.01266	0.4
87.00747	0.3
89.02316	0.6
96.95913	21.8
96.96838	100.0
99.00732	0.5
101.02271	0.3
111.00756	0.5
112.98701	0.7
115.00243	0.5
145.01324	0.3
152.45818	0.3
165.58032	0.3
179.88947	0.3
231.03107	0.4
263.05820	0.9
439.08667	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47631	0.5
55.01763	5.3
57.03318	4.8
58.00449	1.8
59.01252	38.3
61.98689	0.6
69.03309	1.3
69.95758	2.8
71.01254	69.8
72.01578	0.9
72.99185	4.1
73.02821	33.6
74.03140	0.8
74.98943	0.5
75.00739	2.7
75.84272	0.5
83.01255	15.7
85.02825	36.6
85.99963	1.9
86.03171	0.8
87.00731	4.2
89.02316	14.6
94.50421	0.5
95.01279	4.8
97.02814	1.8
99.00756	19.3
101.02323	66.2
101.75375	0.6
102.02666	1.3
111.00771	5.9
112.01543	0.7
113.02330	29.0
114.02679	1.3
119.03392	2.1
124.41560	0.6
124.45030	0.6
125.02309	2.5
129.01819	1.9
131.03397	2.6
133.02814	0.7
137.09608	1.3
139.31424	0.6
141.01822	1.0
143.03398	2.2
143.10693	0.8
143.36000	0.6
145.12209	2.1
149.04430	0.9
159.02899	6.7
161.04466	19.9
162.04788	0.9
174.61870	0.6
177.01863	5.9
179.05508	0.7
187.13329	1.1
190.57957	0.5
197.09549	0.8
215.12752	0.7
221.11830	4.1
224.46234	0.5
267.64151	0.6
307.17609	82.9
308.17972	6.0
439.21820	100.0
440.16772	0.8
440.22116	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	439.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	6.0
57.03320	3.3
58.00478	1.9
59.01251	39.7
70.43634	3.5
71.01255	63.8
72.99187	4.0
73.02822	28.8
75.00746	4.0
76.54663	1.3
78.95786	2.0
83.01254	13.8
85.02826	34.1
87.00742	3.1
89.02330	16.3
95.01255	5.9
97.02853	1.3
99.00756	17.9
101.02319	60.7
111.00768	4.5
113.02334	28.5
118.97946	1.9
119.03394	1.3
125.02337	3.9
129.01819	2.1
131.03412	2.0
135.04424	1.7
137.02388	1.7
141.01808	1.6
143.10602	1.6
145.02852	3.9
159.02907	5.6
161.04446	21.8
163.03903	2.1
177.01854	5.3
179.05592	1.6
182.70139	1.3
191.05502	1.5
217.05046	2.6
307.17612	79.5
308.17987	7.8
339.35364	1.2
369.11163	1.2
396.75317	1.4
426.69049	1.4
439.17020	8.9
439.21918	100.0
440.22250	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	439.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.2
57.03326	0.5
58.00476	0.4
59.01251	100.0
60.01596	1.0
60.78381	0.3
62.79168	0.2
66.02401	0.2
68.75179	0.2
71.01254	10.2
71.39174	0.2
72.99172	0.6
73.02821	3.4
82.88136	0.2
83.01272	1.2
85.02820	3.2
87.00755	0.6
89.02317	4.8
95.01284	1.0
96.95930	0.3
99.00749	0.4
101.02320	5.0
102.02692	0.3
109.50185	0.3
111.47804	0.3
113.02332	5.9
113.03080	0.5
114.02684	0.3
114.07491	0.3
119.03411	2.1
125.02354	0.5
131.03371	0.3
143.03398	0.5
161.04453	0.8
171.10269	0.4
179.05589	0.5
187.09738	0.5
214.21184	0.3
235.17036	0.7
251.05995	0.4
256.67752	0.3
379.21170	1.4
397.22287	3.1
398.22913	0.5
439.19727	0.3
439.32254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.27
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10914	3.0
59.01244	4.0
63.58756	2.6
67.56017	3.0
71.50762	3.5
71.58849	3.1
85.02815	5.0
85.04858	2.6
107.86508	3.9
116.45573	2.9
116.91895	2.9
127.64098	2.9
154.40643	2.8
160.05011	2.7
161.04472	17.3
266.06369	3.0
277.21719	100.0
278.22113	11.0
385.02197	3.1
432.88165	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3216
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
57.03318	0.9
58.00448	1.0
59.01248	2.4
70.03739	1.9
71.04892	70.9
72.05206	1.6
78.95753	0.7
83.04890	2.1
85.02847	0.7
96.95869	0.7
97.06464	6.7
98.20554	0.7
98.29621	0.7
109.06517	0.8
135.04398	3.2
183.11748	1.0
271.22769	2.8
285.23773	0.6
303.12393	1.6
319.24301	37.3
320.24698	5.2
321.22156	1.0
323.20160	1.4
331.24414	2.0
337.21851	6.7
338.22037	1.2
355.26376	2.2
367.26431	3.8
379.26300	0.8
399.25430	0.9
403.30020	14.8
404.30438	2.7
405.28088	1.5
410.28357	0.7
411.25302	2.4
421.31146	8.2
422.28091	11.8
423.28720	3.1
439.32153	100.0
440.26416	1.1
440.32492	20.6
457.33084	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.7
56.43874	0.5
57.03328	1.0
58.00454	2.0
59.01250	43.5
69.21399	5.2
71.01250	36.0
72.99169	3.8
73.02814	1.1
76.16013	0.6
83.01248	2.2
83.04888	0.8
85.02814	5.1
87.00751	1.1
89.02317	24.7
93.09398	0.5
95.01269	1.5
96.95911	0.7
97.02821	1.5
99.00727	0.7
101.02325	19.4
102.02635	0.7
113.02320	10.6
115.00206	0.7
119.03380	11.9
125.02339	0.9
131.03412	1.0
137.02327	0.9
143.03380	0.9
145.02861	1.0
147.08067	1.4
148.05193	3.2
151.07581	0.9
161.02269	0.8
161.04462	4.3
161.09610	0.8
163.07521	2.4
165.05525	0.6
167.06042	1.4
171.08116	0.6
171.11671	1.0
173.09604	0.8
173.13255	4.1
174.10431	0.7
175.07507	1.1
179.03461	0.7
179.05531	3.1
187.11189	0.9
189.12772	16.2
190.13065	1.7
191.14171	0.6
199.11156	0.6
202.09940	1.1
209.07184	2.8
213.14900	1.4
215.10703	1.5
217.12283	41.6
218.12541	3.6
235.13293	1.8
243.10219	4.5
261.11292	46.1
262.11655	5.0
279.12762	0.6
286.17148	0.6
286.83392	0.6
338.11359	1.2
382.10440	2.1
423.16757	0.8
441.17627	100.0
442.17993	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	441.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59241	0.6
57.03329	2.8
59.01250	100.0
60.01573	0.9
61.98709	0.9
71.01254	7.9
73.02827	6.2
83.01252	1.7
83.04912	1.7
85.02823	2.5
89.02316	2.1
92.68042	0.6
93.03291	0.7
95.04900	3.2
97.02844	0.8
99.00745	0.8
101.02332	5.6
113.02363	3.7
119.03348	0.9
123.08047	2.9
125.02357	1.0
139.11186	71.4
140.11542	3.3
143.03374	0.7
152.01076	0.7
161.04486	1.4
165.12770	3.4
183.10188	1.0
193.15904	28.9
194.16225	2.7
219.13680	1.0
237.14922	84.9
238.15240	6.8
381.19058	0.8
439.32150	0.8
441.15881	1.0
441.21344	13.2
441.33975	1.3
442.21561	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19841	0.5
55.50490	0.6
59.01251	100.0
60.01585	1.0
61.98675	1.0
67.42203	0.6
71.04903	1.4
98.26951	0.6
117.52176	0.6
153.19142	0.6
169.12277	0.7
171.10185	0.6
177.45418	0.6
231.56926	0.7
289.18274	2.2
298.18268	0.7
307.19266	2.6
357.28076	1.0
369.27841	0.9
417.39166	0.6
441.33826	13.2
442.34137	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00464	1.4
59.01251	100.0
59.25736	1.2
61.98705	2.6
62.43126	1.1
69.03330	21.4
71.04885	1.5
71.51540	1.8
71.66957	1.7
97.06522	1.5
100.42873	1.4
112.14055	1.2
122.74168	1.4
123.08039	1.3
146.24588	1.4
159.57693	1.3
177.58147	1.5
183.53551	1.4
289.18164	1.9
307.19345	3.2
359.29214	1.9
421.30963	3.3
423.32779	3.8
439.32355	3.1
441.33899	35.0
442.34052	5.9
455.31628	3.4
467.31033	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01736	0.9
59.01251	100.0
60.01598	0.9
69.40400	4.4
69.40802	1.9
71.01240	1.0
79.32418	0.8
83.04894	2.6
98.19843	2.0
100.36154	0.9
151.45334	1.1
151.97379	1.0
171.10123	1.1
201.28102	1.0
247.59850	1.0
263.93256	1.0
289.18158	4.9
307.19180	4.6
310.88184	1.2
399.25247	1.0
413.30542	1.5
441.34009	18.1
442.34030	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.2
55.89353	0.2
57.03333	0.2
59.01252	100.0
60.01584	1.5
61.98723	0.3
67.97554	0.2
69.27096	0.2
71.01257	2.4
71.52220	0.3
72.99200	0.3
73.02836	0.8
77.35300	0.2
80.12470	0.2
83.01273	0.5
85.02834	0.5
89.02323	1.3
96.95879	0.3
97.06499	0.3
101.02320	1.3
104.14655	0.2
113.02359	1.1
119.03410	0.5
119.83068	0.2
127.39411	0.2
131.62340	0.2
135.04395	0.3
161.02324	0.3
179.03439	0.4
199.04767	0.2
206.13161	0.2
236.14056	0.2
333.09888	0.4
399.24310	0.3
421.31558	0.3
441.04785	0.4
441.21408	0.6
441.33969	2.2
442.33936	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2495
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.93314	0.2
57.03321	0.2
59.01253	100.0
60.01588	1.2
60.76485	0.2
61.42475	0.2
71.01262	4.1
72.99204	0.3
73.02834	1.2
83.01275	0.6
85.02828	1.4
85.40457	0.2
89.02315	2.6
95.01266	0.4
101.02322	2.0
113.02340	3.1
117.63206	0.2
119.03427	0.9
136.02870	0.2
143.20226	0.2
161.04451	0.3
263.88718	0.3
399.23956	0.6
441.34042	0.3
450.31430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2493
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
58.00472	0.4
59.01250	100.0
60.01593	1.1
70.38580	0.2
71.01258	5.2
71.04900	0.6
71.44720	0.4
72.99187	0.5
73.02813	2.8
81.06550	0.2
82.60271	0.2
83.01277	0.8
83.93082	0.2
85.02819	1.2
87.00741	0.4
89.02314	3.2
89.02842	0.3
95.01283	0.3
96.93696	0.3
99.00762	0.3
101.02327	3.2
101.99072	0.2
113.02323	3.7
119.03415	1.0
119.96284	0.2
141.35332	0.2
145.02907	0.3
161.04524	0.7
179.05525	0.3
204.31929	0.2
219.13893	0.4
287.60495	0.2
381.22794	0.4
399.24063	1.2
423.32855	0.7
439.32520	0.3
441.33786	2.6
442.34375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.4
57.03321	1.2
58.00458	0.4
59.01251	100.0
60.01581	1.4
63.16364	0.3
65.54448	0.2
67.01767	0.4
67.86222	0.3
68.85949	0.3
69.03350	0.3
69.42399	2.1
71.00858	0.3
71.01255	5.5
71.01649	0.2
72.99200	0.4
73.02814	2.6
83.01269	0.9
83.04910	0.4
85.02831	1.9
87.00742	0.3
87.96913	0.3
89.02318	1.8
89.08615	0.3
92.49038	0.2
93.64344	0.3
95.01283	0.6
95.04915	1.0
98.19772	0.3
99.00781	0.3
101.02320	3.0
113.02335	2.7
118.58109	0.3
119.03435	0.8
122.47811	0.3
123.08028	0.4
125.02364	0.3
130.36450	0.3
139.11195	23.6
140.11517	1.6
151.77934	0.3
161.04381	0.6
165.12805	1.2
179.05554	0.4
183.10239	0.3
193.15910	8.7
194.16254	0.5
218.53891	0.2
237.14928	25.5
238.15298	2.7
249.24309	0.3
381.23248	0.3
399.24240	0.5
430.65091	0.3
441.21274	3.2
442.21786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91027	0.2
56.60603	0.2
57.03318	0.8
58.00479	1.5
59.01258	5.7
66.97336	0.2
69.03319	0.5
71.01254	0.6
71.04897	23.3
72.05224	0.6
73.02828	0.5
83.04902	3.5
85.02829	0.3
85.03676	0.3
85.06474	1.5
93.70145	0.3
97.06483	1.4
99.04366	0.3
119.08569	0.3
121.06507	0.3
123.08035	0.9
135.08064	0.4
137.09636	1.2
149.09579	0.4
153.95818	0.3
169.75665	0.3
185.13145	0.3
189.12788	0.6
203.14333	0.4
205.15927	13.8
206.16257	1.3
253.76163	0.3
280.65121	0.3
289.28568	0.3
303.53406	0.3
307.20755	1.5
319.24161	0.3
321.22220	2.3
321.25696	0.5
323.20618	0.3
323.23709	1.5
325.21796	0.5
335.23911	0.9
337.21841	0.4
337.25381	3.9
338.25876	0.6
339.26913	3.8
340.27545	0.4
351.27026	2.4
352.27463	0.6
353.24844	0.6
355.26425	1.0
361.21646	0.4
369.28207	0.9
379.30096	2.8
380.30283	0.5
391.26288	0.8
392.26929	0.4
393.27975	2.0
399.24921	0.7
405.23886	0.5
405.31995	0.4
407.29636	3.0
408.30075	0.6
409.26532	0.5
409.31219	5.7
410.31775	0.7
413.27283	0.4
419.29529	0.8
421.31580	2.2
422.31573	0.6
423.32751	32.6
424.33084	6.9
425.30881	0.5
437.30713	2.2
438.30865	0.4
439.32236	7.4
440.32541	1.2
441.33765	100.0
442.34076	19.3
453.30377	0.6
455.31638	4.2
456.32053	1.1
459.34698	2.3
467.31607	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.6
56.66618	1.7
57.03302	4.5
58.00449	3.7
59.01249	81.7
61.98684	7.6
66.09665	2.0
70.37390	3.0
70.37750	4.9
71.01255	100.0
72.01591	3.1
72.99174	4.6
75.00736	4.3
83.01240	3.8
85.02811	8.3
87.00755	2.6
89.02316	85.8
91.01732	2.6
92.79543	1.9
93.03307	3.5
95.01234	5.6
97.59592	1.9
99.00781	2.0
99.04382	5.2
101.02319	43.4
105.03376	2.8
113.02323	31.0
117.03285	2.2
119.03391	47.7
119.04875	5.8
125.02314	2.8
131.03409	3.4
131.10565	1.7
133.02798	5.1
137.02342	11.9
137.05962	15.1
143.03392	10.9
145.02853	11.0
149.04456	3.7
161.04445	8.2
161.05881	4.2
161.78604	1.9
163.03951	12.2
179.05551	14.8
191.03419	7.4
205.04962	4.5
265.06952	3.5
297.08179	20.6
443.11826	76.1
444.12225	8.0
458.24606	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	443.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	4.9
59.01250	8.7
59.27259	0.5
61.33229	0.6
61.98703	9.7
69.47597	1.6
69.48007	2.3
71.01258	4.6
72.99155	0.7
73.02812	1.1
74.39565	0.5
78.56104	0.6
79.95627	0.5
81.73631	0.6
83.01257	0.9
85.02830	2.0
89.02307	3.2
93.03335	57.5
94.03673	1.7
95.01247	0.6
99.04395	2.1
101.02348	3.7
113.02340	2.1
117.03353	9.0
118.03650	0.9
119.04915	6.2
120.18504	0.6
120.99513	1.1
122.61040	0.6
125.02364	1.3
125.74371	0.6
133.06441	0.6
134.03598	0.7
135.04387	0.9
135.06514	1.1
137.02344	100.0
138.02692	4.8
145.02858	39.1
146.03246	1.8
149.05966	8.2
161.04514	1.2
161.05977	1.1
161.81767	0.6
163.03925	7.9
165.05565	0.7
175.03889	0.7
177.05493	1.0
197.11719	1.2
201.42741	0.7
205.04987	1.0
265.07208	0.9
280.21140	0.7
297.12265	0.8
299.07736	6.6
305.08881	1.9
336.22427	0.8
339.10855	0.7
341.08578	1.0
356.33331	0.7
369.10974	1.1
380.75150	0.6
383.10144	0.9
443.15640	17.1
444.16293	1.7
445.28702	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1558
Annotation	Manglieside B
Peak:m/z	Relative Intensity
57.00711	0.2
59.01250	7.2
71.01254	6.4
71.52470	0.4
72.99196	0.5
73.02823	1.0
75.00758	0.3
83.01275	0.5
85.02818	1.4
87.00770	0.5
89.02313	3.8
93.03349	0.4
97.02822	0.3
99.00750	1.7
101.02328	2.4
108.02024	0.4
113.02337	1.8
113.12035	0.3
119.03412	0.8
119.04871	0.4
122.03620	0.4
125.02362	0.9
131.03389	0.3
134.19423	0.2
135.04448	0.5
137.02324	0.8
143.03410	0.4
145.02855	0.8
147.04402	1.3
148.05199	2.6
149.05986	100.0
150.06326	5.1
161.02345	0.6
161.04514	1.1
163.03899	0.3
179.03447	0.3
191.05550	0.6
191.07108	0.4
207.10237	0.7
219.13847	1.6
220.14017	0.2
263.12823	0.8
293.10406	0.6
311.11411	10.3
311.14902	1.3
312.11688	1.2
399.10925	0.2
443.15442	18.2
444.15649	2.6
444.21094	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1558
Annotation	Manglieside B
Peak:m/z	Relative Intensity
58.00459	0.2
59.01251	5.8
69.03329	0.4
69.37378	0.8
71.01253	4.9
71.01662	0.2
72.99171	0.3
73.02829	0.7
75.00747	0.3
81.03316	0.4
83.01252	0.4
85.02829	0.5
87.00767	0.1
89.02319	7.9
90.02644	0.2
91.05488	0.1
93.03300	0.2
95.01272	0.2
97.02822	0.8
98.19878	0.2
99.00758	1.5
99.04418	0.2
101.02311	1.7
108.02030	0.5
109.06478	0.1
111.00771	0.2
113.02338	0.7
115.03893	0.4
119.04937	0.2
121.06494	0.2
122.03600	1.0
124.44464	0.1
125.02338	3.8
128.56461	0.1
130.04135	0.2
130.73315	0.1
131.03394	1.0
131.04903	0.4
134.03583	0.2
137.09625	0.5
143.03459	0.3
146.19304	0.1
147.04431	1.2
148.05197	1.9
149.05981	100.0
150.06323	5.5
154.02589	0.2
161.04523	0.3
191.05556	1.2
233.06618	4.3
234.06935	0.2
237.09727	0.2
293.08804	4.9
294.09167	0.4
443.15359	2.4
443.20883	0.2
444.15939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31864	0.1
58.00457	0.1
59.01252	5.2
60.98353	0.1
65.13408	0.1
69.03322	0.4
69.78194	0.6
71.01254	5.1
72.01583	0.1
72.99165	0.3
73.02820	0.8
75.00735	0.2
78.95796	0.1
81.03328	0.4
83.01251	0.4
85.02820	0.5
87.00729	0.2
89.02316	7.3
90.02615	0.1
93.03339	0.3
95.01239	0.2
97.02825	0.8
99.00758	1.5
99.04375	0.2
101.02314	1.6
106.04105	0.1
108.02041	0.4
111.71593	0.1
113.02339	1.0
115.03904	0.4
119.03372	0.3
119.04956	0.1
121.02831	0.1
121.06506	0.2
122.03630	0.8
125.02341	3.9
126.02654	0.1
127.03869	0.2
129.03333	0.1
130.04166	0.1
131.03416	1.3
131.04912	0.3
134.03624	0.2
137.02380	0.2
137.09619	0.5
143.03423	0.3
147.04411	1.5
148.05208	2.6
149.05984	100.0
150.06328	5.7
161.04465	0.4
191.05563	1.2
197.85803	0.1
207.10184	0.1
225.11324	0.2
233.06630	4.4
234.06898	0.2
274.70804	0.1
279.10864	0.1
280.48636	0.1
293.08780	5.3
294.09167	0.4
379.65594	0.1
443.15530	2.3
444.16068	0.4
448.63333	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	443.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91784	0.5
55.01761	2.0
57.03323	2.3
58.00468	1.1
59.01251	100.0
60.01583	1.1
61.98707	1.3
71.01256	31.1
72.99191	2.2
73.02823	9.7
73.18550	0.6
75.00751	0.8
79.48077	0.6
83.01256	5.0
85.02827	14.8
87.00771	2.1
89.02321	5.5
95.01260	1.1
97.02850	1.0
98.88976	0.6
99.00742	4.1
99.04377	0.7
99.85059	0.5
101.02322	19.1
101.23862	0.5
107.04904	1.1
111.00810	0.6
113.02328	11.9
113.03072	0.9
116.07057	0.6
119.03423	0.8
119.04946	1.5
121.06492	0.5
125.02366	1.7
131.03409	1.1
132.02089	1.3
134.03641	2.2
137.05998	1.5
143.03409	1.0
149.05966	0.7
159.02946	2.5
160.01567	6.4
161.04465	9.6
161.05807	0.7
162.43459	0.6
163.03940	0.7
171.10271	1.9
175.03931	7.6
193.04953	2.6
225.11176	1.2
251.09288	0.9
263.13071	0.9
269.10294	24.8
270.10773	1.6
311.11349	3.0
401.14511	15.4
401.19437	1.0
402.15131	1.9
411.14182	1.0
443.15039	11.7
444.15808	1.8
469.45215	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64163	0.5
57.03319	1.1
59.01252	15.9
59.69574	0.5
61.98718	0.8
63.30681	0.4
63.90408	0.6
69.03349	0.7
69.62375	3.1
71.01252	5.4
72.99171	0.8
73.02827	1.3
83.01228	0.8
85.02816	1.9
85.46355	0.6
87.04383	0.5
89.02325	4.0
93.03343	1.8
98.19792	0.7
100.45696	0.5
101.02326	4.5
113.02348	2.7
117.03351	22.0
118.03706	1.0
119.03379	0.9
119.04914	12.6
119.05747	0.9
125.02241	0.5
128.03459	0.8
135.04408	2.3
135.06554	1.0
137.02315	3.5
137.05994	1.6
145.02858	100.0
146.03177	5.2
150.18690	0.5
161.04546	0.8
161.05956	1.3
163.03926	23.9
164.04303	1.3
179.05577	0.6
179.07043	1.0
205.04958	2.8
221.11694	2.5
235.06267	1.0
265.07202	1.6
443.15527	58.7
444.15771	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	443.1923
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01744	2.6
57.03316	2.4
58.00462	1.3
59.00959	1.7
59.01254	34.2
61.91795	0.8
63.89943	0.6
67.33003	0.7
71.01255	26.3
71.39667	1.0
72.99174	2.0
73.02815	4.1
83.01249	7.7
85.02824	10.1
87.00737	1.1
89.02319	14.3
93.03342	2.0
95.01245	2.3
99.00738	2.4
101.02326	20.6
109.48580	0.7
111.04338	0.9
113.02337	9.3
114.02671	0.8
119.03410	5.3
123.04414	12.8
125.02276	1.0
127.00255	3.3
137.02321	4.4
143.03378	1.6
152.26628	0.7
153.05496	12.3
154.05756	1.0
161.04469	2.0
168.12628	0.8
189.12758	2.0
359.16296	0.8
365.30215	0.8
443.12479	4.5
443.19211	100.0
444.19568	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	443.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64948	0.3
55.01759	0.9
57.03329	0.9
58.00473	0.5
59.01250	100.0
60.01591	1.4
61.98685	0.3
64.97919	0.3
70.85792	0.6
71.01254	16.1
72.01585	0.4
72.99187	1.1
73.02816	7.4
74.11507	0.3
75.00744	1.3
75.04373	0.3
79.13279	0.2
81.03329	0.5
83.01259	3.1
83.04914	0.4
85.02823	7.6
87.00727	1.3
87.04406	0.4
89.02323	4.0
90.78012	0.2
95.01254	1.5
95.08556	0.3
97.02835	1.0
97.06419	0.3
99.00754	2.6
99.04386	0.3
101.02322	16.4
101.47256	0.3
102.02637	0.4
109.02909	0.3
109.06464	0.9
111.00803	0.4
112.01713	0.3
112.03938	0.3
113.02325	8.4
117.05466	0.6
119.03399	1.3
121.06479	4.0
122.06832	0.5
125.02330	0.9
129.01758	0.4
135.04398	0.3
135.08028	0.3
137.02338	0.5
137.09622	49.1
138.09970	2.5
143.03372	1.4
145.02823	0.6
149.06003	0.8
154.85889	0.2
159.02907	2.4
161.02429	0.6
161.04469	10.6
163.07542	2.4
165.09090	0.4
179.03523	0.4
181.08534	0.5
201.12775	0.7
207.10255	0.9
219.08707	4.3
219.13855	1.0
221.11632	0.3
224.52707	0.3
237.09763	38.3
238.10077	2.1
263.12881	0.5
279.10846	19.3
280.11224	1.2
376.07053	0.3
383.17041	0.6
401.18045	0.7
443.18988	5.4
444.19473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.7
57.03325	1.8
58.00468	1.5
59.01251	98.5
60.01584	1.5
69.34947	4.0
71.01253	24.8
72.01606	0.6
72.99187	1.9
73.02825	2.4
83.01257	2.1
85.02819	6.7
86.07831	0.5
87.00746	3.7
89.02319	16.7
95.01260	1.9
96.38207	0.5
97.35503	0.5
98.19774	1.0
101.02320	13.9
110.02100	0.5
111.08043	5.7
113.02328	8.2
119.03384	5.5
119.90352	0.5
132.87277	0.5
159.02901	0.5
161.04449	2.3
179.05441	0.6
194.01259	0.6
201.16374	0.9
211.09731	0.7
219.17448	0.7
221.15469	2.4
263.16501	13.2
264.16830	1.0
265.18036	1.3
281.17651	1.4
344.33304	0.5
363.21594	1.0
425.21835	5.9
443.22842	100.0
443.31393	5.2
444.23199	14.8
444.32153	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2283
Annotation	Radiosumin B
Peak:m/z	Relative Intensity
55.01760	1.2
57.03326	1.5
58.00467	1.3
59.01251	100.0
60.01590	0.7
61.98714	1.2
71.01257	24.0
71.51666	1.0
72.99178	2.8
73.02826	2.3
73.14423	0.6
76.10071	0.6
83.01261	2.2
85.02819	6.8
87.00767	4.2
89.02319	15.4
95.01263	2.8
97.82140	0.6
99.00765	0.9
101.02321	13.0
105.04556	0.6
111.08032	5.4
113.02335	9.5
118.29624	0.6
119.03378	5.6
121.10247	0.6
125.09586	0.7
151.36841	0.6
159.02942	0.6
161.04454	2.5
199.31181	0.6
201.16405	0.9
211.09668	0.9
219.17578	1.7
221.15399	2.5
263.16510	9.8
264.16760	1.2
281.17596	1.3
363.21478	1.3
425.21851	6.1
443.22842	81.4
443.31409	5.6
444.23199	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	443.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.2
57.03326	1.5
58.00467	1.3
59.01251	100.0
60.01590	0.7
61.98714	1.2
71.01257	24.0
71.51666	1.0
72.99178	2.8
73.02826	2.3
73.14423	0.6
76.10071	0.6
83.01261	2.2
85.02819	6.8
87.00767	4.2
89.02319	15.4
95.01263	2.8
97.82140	0.6
99.00765	0.9
101.02321	13.0
105.04556	0.6
111.08032	5.4
113.02335	9.5
118.29624	0.6
119.03378	5.6
121.10247	0.6
125.09586	0.7
151.36841	0.6
159.02942	0.6
161.04454	2.5
199.31181	0.6
201.16405	0.9
211.09668	0.9
219.17578	1.7
221.15399	2.5
263.16510	9.8
264.16760	1.2
281.17596	1.3
363.21478	1.3
425.21851	6.1
443.22842	81.4
443.31409	5.6
444.23199	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	443.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81501	1.2
53.49041	0.9
59.01253	100.0
61.98702	1.6
69.47585	2.2
69.47991	4.9
71.04891	2.0
77.27964	0.9
78.95779	1.1
91.03885	3.6
97.29494	0.9
103.62074	1.0
111.08073	2.8
148.00383	1.2
156.91484	1.0
197.11768	7.2
221.19077	1.7
237.10446	1.1
291.19617	4.6
309.20670	16.0
310.21100	2.1
442.33917	2.1
443.27579	2.3
443.34720	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	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01598	1.0
61.98698	1.3
62.81810	0.6
71.01257	0.8
73.93652	0.6
86.16248	0.6
89.02348	1.0
91.03900	2.9
98.19735	1.2
111.08073	1.9
111.21572	0.7
197.11778	4.7
198.12190	0.7
211.13333	0.8
271.39560	0.6
291.19705	6.7
309.20724	13.2
310.21036	1.5
443.31784	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	445.0777
Annotation	Baicalin
Peak:m/z	Relative Intensity
55.01758	0.6
57.03310	1.6
59.01250	61.0
60.01596	0.8
61.16000	0.5
63.02261	2.9
65.00201	1.2
65.83278	0.5
69.50010	3.9
71.01254	10.8
72.99168	1.4
73.02819	1.1
75.00761	3.3
83.01244	0.9
85.02823	13.7
87.00757	3.3
89.02316	7.4
95.01254	3.7
99.00765	5.0
101.02331	3.2
103.00236	2.2
103.41885	0.5
107.01260	2.0
113.02334	26.6
115.00238	1.0
117.01812	2.0
117.03333	4.7
119.03381	3.2
121.02826	0.6
129.01805	1.9
143.03384	0.9
149.02342	1.6
151.00296	1.7
159.04407	1.9
159.82384	0.5
160.09204	0.5
161.02426	0.9
161.04469	1.4
169.06509	0.7
175.02382	6.8
179.05544	1.3
181.06525	0.7
187.11203	1.8
197.05949	0.6
201.05484	0.8
205.12277	2.1
209.11781	7.9
225.05522	1.6
227.03554	0.8
233.11934	0.9
253.09218	1.0
269.04541	100.0
270.04883	9.2
385.18533	1.3
445.07886	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.2
59.01252	3.4
61.98683	0.2
65.03824	0.1
67.01780	0.2
71.01256	1.3
72.99172	0.3
73.02815	0.5
75.00745	0.2
81.03323	0.4
83.01302	0.2
85.02834	0.6
87.00742	0.3
88.03905	0.4
89.02321	0.6
90.02677	0.2
93.03348	0.8
95.01298	0.3
98.19836	0.3
99.00790	0.2
101.02340	0.5
108.02050	0.7
109.02827	0.8
111.00722	0.2
113.02312	0.9
117.03349	1.8
119.01293	0.2
119.03469	0.3
119.04924	2.7
133.02847	0.2
134.03697	0.2
135.02931	0.3
135.04420	1.3
136.01550	2.0
137.02345	100.0
138.02669	3.8
141.05569	0.2
143.51103	0.1
145.02861	6.9
146.03186	0.1
151.02113	0.1
161.02368	0.7
161.04446	0.3
163.03908	2.6
175.03827	0.2
179.03432	1.2
205.05028	0.2
209.21422	0.2
269.04556	1.5
270.05051	0.2
299.07724	8.4
300.08121	0.7
307.08267	0.6
371.61063	0.2
372.11368	0.4
401.22183	0.2
425.30563	0.3
444.32022	0.3
445.10635	4.4
445.33136	1.6
445.62332	0.2
446.11804	0.6
446.24014	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.5
59.01258	15.0
65.03838	0.7
65.70333	0.6
71.01254	7.7
72.99158	1.2
73.02826	1.0
75.00750	1.1
83.01267	0.7
83.04907	1.1
85.02818	5.0
87.00758	0.7
89.02322	3.6
89.50632	0.5
93.03338	85.7
94.03668	2.6
95.01259	1.7
99.00762	1.3
101.02328	3.8
108.04436	4.6
109.02870	0.5
111.00774	0.5
113.02333	7.4
117.03352	28.6
118.03688	0.9
119.03453	0.7
119.04918	11.3
121.02826	1.1
125.02351	0.5
129.84938	0.5
133.02879	1.3
135.04425	3.5
137.02348	95.4
138.02684	4.1
142.54785	0.5
145.02858	100.0
146.03185	4.9
149.06001	4.1
150.03131	0.5
150.06317	2.7
153.09294	0.5
159.04500	0.8
161.02390	2.6
161.04497	1.7
161.05997	1.1
163.03918	10.8
163.11230	0.9
175.02412	1.1
179.03421	3.3
179.05548	0.6
181.12221	1.4
187.03908	1.9
205.04962	0.5
205.12057	0.6
209.11774	18.8
247.06012	0.9
253.09190	2.5
269.04541	18.5
270.04965	1.3
283.19391	0.6
285.03964	0.7
307.08237	72.9
308.08591	7.3
310.08878	0.7
380.02689	0.5
385.18567	0.8
445.11453	10.0
445.20386	1.6
445.24704	2.1
446.11624	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37212	1.1
57.77108	1.2
59.01244	21.5
71.01258	14.3
71.32701	1.4
72.86961	1.2
72.99191	3.0
73.02824	2.7
75.00744	69.9
76.01077	1.1
78.95776	3.5
80.91553	5.5
83.01220	3.6
85.02824	3.8
87.00775	1.6
89.02303	12.4
93.03306	1.4
95.01280	1.6
96.96841	5.0
97.02857	1.5
97.62051	1.2
99.00745	2.6
101.02322	10.4
103.00248	100.0
103.03888	1.9
103.96138	1.2
104.00606	2.4
104.03411	13.0
105.01826	1.8
107.04898	1.5
108.02057	5.0
108.04421	1.3
109.02826	6.3
110.93613	1.2
111.00748	2.2
112.98651	1.8
113.02316	4.8
119.03380	3.3
121.06497	1.5
123.04433	8.1
125.02320	1.9
127.00266	1.6
129.01843	1.2
129.06265	1.1
135.02913	1.3
137.06001	2.5
138.05440	2.5
152.01053	3.2
153.01852	6.2
161.04485	2.4
165.05457	1.4
167.03409	2.1
179.05489	5.0
193.05025	1.5
221.04405	1.6
263.05829	2.4
265.09348	2.2
293.42365	1.3
307.06705	1.8
315.07144	6.4
341.10803	9.7
357.08203	2.9
445.11325	12.7
445.18079	3.0
446.10977	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	445.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	6.5
57.03324	5.4
58.00465	2.2
59.01250	68.5
60.01596	0.9
69.03322	1.0
69.46829	3.0
71.01252	87.0
72.01594	1.7
72.99174	3.8
73.02819	21.7
73.47742	0.5
75.00748	1.6
75.63138	0.5
81.03338	0.6
83.01255	12.8
83.01727	1.1
83.96153	0.6
84.01560	0.6
85.02822	36.6
86.03149	0.6
87.00752	3.9
89.02316	18.3
89.37050	0.6
95.01262	6.7
97.02832	2.7
99.00757	9.4
101.02322	59.7
102.02663	1.1
111.00763	0.7
112.37605	0.5
113.02329	32.4
114.02653	0.9
114.77254	0.5
119.03397	2.1
123.08074	0.6
125.02328	3.6
129.01816	1.4
130.99738	1.0
131.03384	3.0
138.06735	2.3
139.00281	0.6
139.07561	1.5
143.03392	4.9
144.03763	0.5
149.04445	1.6
151.07550	2.5
152.08310	4.1
153.09119	13.2
154.09508	0.7
159.02898	8.3
160.03244	0.7
161.04465	68.6
162.04832	2.4
176.76993	0.5
179.05498	1.7
179.10693	1.1
191.05577	1.4
205.03445	1.9
205.12274	5.9
223.13379	6.5
224.13696	0.6
242.43996	0.6
313.09280	100.0
314.09644	10.1
340.91678	0.6
357.08209	0.8
385.18719	8.7
386.18985	0.7
445.13440	20.0
446.13843	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71528	0.3
55.01751	0.3
57.03302	0.5
59.01252	10.6
61.98691	0.3
63.02273	0.4
69.46381	2.0
71.00912	0.3
71.01260	5.0
72.99150	1.2
73.02799	1.2
75.00747	2.3
83.01217	0.3
85.02820	2.4
87.00742	0.8
89.02325	2.2
93.03329	2.7
95.01270	0.6
96.95802	0.3
99.00732	0.6
101.02323	2.7
106.04099	0.8
107.04907	0.5
109.02765	0.3
109.33060	0.3
113.02338	3.7
117.03353	25.9
118.03669	1.2
119.03441	0.7
119.04918	24.8
120.05259	1.0
121.02841	0.9
123.04388	0.4
130.08800	0.3
131.03421	0.3
133.02858	0.3
135.04422	1.0
136.01593	0.4
137.02357	4.0
137.05984	20.2
138.06339	0.8
145.02858	100.0
146.03197	5.8
149.02354	0.7
151.00288	0.3
151.03900	0.5
153.09132	0.3
159.04492	0.6
161.02350	0.3
161.04477	0.6
161.05975	0.4
163.03918	15.2
164.04306	0.6
175.02406	0.4
179.03436	1.6
180.03714	0.3
187.03957	0.5
189.05524	0.4
193.05228	0.3
205.12346	0.3
217.05035	0.3
223.13432	0.6
239.05540	0.3
242.06850	0.3
247.06004	0.3
265.10764	0.6
269.04556	6.8
269.07318	0.5
270.04987	0.8
281.06638	4.9
282.07086	0.3
307.08240	17.9
308.08664	1.9
325.47055	0.3
325.84970	0.3
403.20148	0.4
420.08810	0.3
445.15399	30.4
446.15598	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	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39244	0.4
55.01786	0.4
57.03319	1.4
58.00466	0.7
59.01250	100.0
60.01582	1.2
60.60847	0.4
69.79160	2.2
71.01256	19.6
72.99200	1.5
73.02808	2.1
75.00755	0.8
83.01267	1.1
84.98987	0.5
85.02812	4.3
85.65378	0.4
86.97639	0.5
87.00777	1.2
89.02313	13.6
89.77324	0.4
93.03323	0.7
95.01292	1.0
97.02848	0.4
98.20529	0.9
99.00770	1.3
99.04440	0.5
101.02316	8.9
103.03901	8.2
113.02337	7.0
117.03416	0.6
119.03381	5.4
119.04827	0.5
121.06492	1.3
129.01907	0.5
133.53270	0.5
137.02322	0.8
137.09618	11.0
138.09937	0.5
143.03444	1.5
144.80161	0.5
145.02841	2.6
149.04413	0.6
151.07567	0.9
152.08368	1.4
153.09138	4.8
157.04990	3.7
161.04466	3.8
165.09091	0.6
179.05550	2.0
205.12260	2.8
209.11815	1.5
223.13419	2.8
247.08273	2.6
345.15433	2.1
385.18735	5.8
386.18909	0.8
410.54544	0.5
430.81311	0.5
431.18277	0.5
445.15329	0.9
445.20935	2.7
446.21381	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76384	1.3
55.51581	1.3
57.03320	2.8
59.01252	100.0
63.47137	1.3
69.58773	9.1
71.01254	37.5
73.02822	9.6
83.01270	3.5
85.02820	15.0
89.02326	13.5
93.59421	1.3
95.01279	2.9
97.02854	3.0
98.16856	1.7
98.19811	3.1
99.00729	3.5
101.02325	21.8
101.87435	1.2
113.02323	13.2
119.03397	4.3
136.05144	1.4
138.06781	6.4
139.07552	2.8
143.03426	2.6
149.74023	1.5
151.07516	7.2
152.08345	11.7
153.09126	33.9
153.10291	2.7
154.09367	1.8
159.02873	2.6
161.04478	19.3
163.11209	1.6
179.05571	3.0
179.10898	1.5
205.03557	1.6
205.12273	14.5
223.13345	14.0
313.09216	7.5
314.09576	1.5
324.54965	1.4
385.18616	14.1
386.18979	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.6
58.00470	1.0
59.01251	100.0
60.01595	1.6
61.98707	0.8
69.28935	2.7
71.01252	19.9
72.99181	2.3
73.02832	0.7
75.00755	1.0
82.46880	0.4
83.01273	0.9
83.04901	2.4
84.81503	0.4
85.02821	3.7
87.00757	1.7
89.02318	32.2
90.02647	0.5
93.03334	0.4
95.01289	1.2
97.02892	0.4
99.00786	0.7
101.02319	11.6
113.02330	8.3
113.03069	0.5
114.02686	0.3
117.05436	0.4
119.03391	12.3
119.04810	0.5
119.85284	0.4
121.06473	0.6
123.04411	0.5
131.03401	2.2
137.02393	0.4
143.03412	3.7
145.02823	0.8
146.03215	0.5
149.04500	1.3
161.02391	0.5
161.04460	5.3
165.05536	1.0
179.05534	18.4
180.05919	0.6
184.40376	0.3
194.05917	0.4
205.12317	0.5
209.08116	0.4
226.81155	0.4
269.04596	3.6
279.27814	0.4
283.16034	0.3
374.56192	0.4
379.60071	0.4
445.13251	0.6
445.21225	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00466	5.0
59.01250	100.0
69.30938	16.5
69.31347	7.9
71.01250	58.7
73.02811	9.3
83.01237	5.6
85.02828	14.5
87.00741	8.2
89.02309	42.9
92.07494	3.2
95.01306	5.3
95.04879	4.9
98.20619	6.4
99.00741	7.4
101.02325	29.3
108.75529	3.5
113.02327	21.6
119.03356	14.7
143.03526	4.5
149.04393	3.6
157.41402	3.4
161.04471	24.9
161.09627	8.0
165.37469	3.8
179.05574	5.6
179.10670	25.3
187.11171	14.2
190.09940	6.1
205.12267	28.7
206.12582	3.6
223.13342	9.1
233.11806	8.6
235.53326	3.5
269.04422	8.5
277.14594	4.5
284.22311	3.6
398.77570	3.6
432.12408	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	445.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83832	0.3
59.01234	0.8
69.21751	2.9
74.90820	0.4
78.95776	6.6
108.65540	0.4
110.98418	4.5
145.15184	0.4
167.01039	3.0
185.02133	4.3
265.15231	0.4
275.20215	0.4
277.21725	100.0
278.22073	10.8
318.09729	0.4
445.23691	6.9
446.23895	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01722	0.4
57.29623	0.4
59.01256	0.9
64.08192	0.3
64.54400	0.4
78.95776	18.4
83.05471	0.5
88.44050	0.4
90.66150	0.4
104.97362	0.8
110.98419	13.2
121.62183	0.4
150.21863	0.4
152.99519	0.4
167.01068	16.5
183.18858	0.4
185.02155	3.7
277.21722	100.0
278.22055	12.2
445.23590	16.7
446.23972	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	445.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46936	0.4
59.01254	100.0
60.01600	1.1
61.98719	0.7
69.29227	0.4
69.29534	4.0
71.01277	0.6
78.50562	0.5
78.95788	6.2
85.02788	0.6
89.02327	1.0
91.03911	1.3
95.01219	0.6
96.96896	0.5
98.19778	1.2
113.02339	0.6
121.02808	0.5
127.86800	0.5
150.56070	0.4
152.99506	7.8
184.99385	0.6
197.11829	0.6
205.12280	0.6
209.11830	0.5
209.90022	0.5
211.13458	1.6
269.04669	1.0
288.61206	0.5
293.21387	1.7
311.22266	11.2
312.22821	1.3
445.20374	0.8
445.29010	1.2
445.34204	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42929	0.5
51.75709	0.5
54.74450	0.5
59.01251	100.0
78.95792	1.0
83.30279	0.5
89.02339	1.0
91.03889	2.9
94.87257	0.5
99.08098	0.5
100.54882	0.6
119.04959	1.3
141.84862	0.5
145.02895	2.2
152.99541	1.6
163.03944	1.3
168.86316	0.6
197.11703	0.7
209.11797	1.3
211.13394	1.4
269.04620	0.7
293.21320	0.9
311.22260	16.0
312.22766	1.9
445.22488	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.3
57.34985	0.3
59.01252	39.9
61.98691	0.3
63.02261	1.5
65.00214	0.8
65.19305	0.3
65.79187	0.3
69.20570	0.7
69.20985	2.2
71.01251	5.9
72.99188	0.4
73.02834	0.9
74.65797	0.3
83.01248	1.5
85.02814	1.7
85.78143	0.3
86.09517	0.2
89.02310	3.4
93.03312	0.5
93.76939	0.3
95.01291	0.4
99.00756	0.8
101.02316	3.3
105.03406	0.4
107.01275	2.5
109.02855	0.7
113.02334	2.5
119.03409	1.2
121.02816	0.6
125.02388	0.5
132.02065	0.4
133.02826	4.3
134.03609	1.1
135.04445	0.3
137.02344	0.9
137.09579	0.3
145.02914	0.5
148.00465	0.3
148.01558	0.5
149.02376	1.6
149.04427	0.4
151.00272	4.6
151.03851	0.3
159.02936	0.5
161.04472	2.9
175.03949	1.6
179.05513	0.7
185.05852	0.3
187.03981	0.5
195.04276	0.3
197.05984	0.3
197.42085	0.3
199.03899	1.5
200.04697	0.7
201.01825	0.4
207.13910	0.3
211.04021	1.1
216.81177	0.3
217.05032	0.9
223.07620	0.4
227.03474	1.5
228.04135	0.4
239.03436	0.5
241.04892	0.6
243.02872	0.6
255.02943	1.2
256.03723	4.0
257.04358	0.4
267.03143	0.6
267.12527	0.4
283.02536	0.7
284.03265	59.5
285.04022	100.0
286.04398	8.2
297.03903	0.5
327.05142	1.5
387.20236	4.5
388.20331	0.4
447.09302	63.2
448.09604	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.4
61.98705	2.0
63.02261	0.2
65.00192	0.7
69.22729	0.6
69.23148	0.3
71.01254	1.1
72.99146	0.1
73.02819	0.3
83.01255	0.7
85.02834	0.8
87.00726	0.2
89.02306	0.7
93.03326	0.5
94.03670	0.1
99.00739	0.5
99.92423	0.2
101.02331	0.9
105.03332	0.2
107.01270	1.7
109.02844	0.2
113.02320	0.7
115.91981	0.3
116.92744	1.1
117.03339	0.3
119.03364	0.3
119.04910	0.2
121.02843	0.3
125.02339	0.1
132.02097	0.2
132.28110	0.1
133.02841	7.9
134.03174	0.3
135.04364	0.1
137.02325	0.5
139.03926	0.5
143.80986	0.1
145.02847	1.1
146.03143	0.2
149.02332	1.5
151.00276	4.4
151.01518	0.2
152.00783	0.1
161.04448	0.4
161.05811	0.1
163.04039	0.1
169.06535	0.2
171.04420	0.3
175.02502	0.2
175.03941	2.6
176.04099	0.1
179.03412	0.1
185.06023	0.3
187.04008	0.2
189.05498	0.1
197.06143	0.2
198.03101	0.4
199.03926	2.0
201.01871	0.9
209.11752	0.3
210.12091	0.2
213.05492	0.4
215.03497	0.4
217.04988	1.3
223.03952	0.3
226.02792	0.2
229.05051	0.3
239.03268	0.2
240.04341	0.1
241.05032	0.8
243.02957	0.7
246.40125	0.1
247.08344	0.2
248.73190	0.1
255.02968	0.1
256.03735	0.3
257.04581	0.5
267.02948	0.3
269.04718	0.1
284.03235	0.9
285.04034	100.0
286.04391	9.1
307.08261	0.5
309.08951	0.1
327.05096	0.2
387.20248	0.4
447.09210	1.8
447.18759	0.5
448.09695	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22966	0.1
57.11681	0.1
59.01252	2.7
63.02274	0.2
65.00204	0.6
69.32015	1.2
70.39937	0.1
71.01245	0.9
72.82774	0.1
73.02820	0.3
83.01233	0.7
85.02827	0.4
87.78098	0.1
89.02322	0.4
93.03357	0.2
98.20481	0.3
99.00777	0.3
99.56432	0.2
101.02310	0.8
105.03347	0.2
107.01277	1.6
107.19303	0.1
113.02345	0.3
119.04927	0.4
120.05267	0.2
131.29660	0.1
133.02837	6.0
133.03827	0.3
134.03200	0.3
137.02328	1.3
145.02838	0.3
149.02356	1.0
151.00269	4.0
152.00645	0.2
161.04449	0.2
163.03886	0.3
171.04367	0.3
175.03943	2.0
198.03123	0.2
199.03943	1.9
200.04205	0.2
201.01810	0.5
213.05460	0.4
214.02731	0.2
215.03419	0.3
217.04968	1.4
218.05275	0.2
225.11250	0.5
229.04951	0.2
240.04138	0.2
241.04965	0.8
243.02959	0.6
256.03757	1.8
257.04462	0.6
267.03024	0.4
282.06943	0.2
284.03241	2.7
285.04031	100.0
286.04388	9.0
286.06918	0.1
320.85101	0.2
416.14941	0.1
447.09274	18.7
447.25876	0.4
448.09674	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	447.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.7
59.74189	0.1
61.98699	1.8
63.02240	0.2
65.00192	0.6
66.71758	0.2
68.85583	0.1
71.01247	0.9
73.02826	0.4
75.88459	0.1
77.69823	0.1
83.01240	0.5
85.02813	0.6
87.00742	0.2
87.04384	0.2
89.02311	0.5
93.03313	0.5
94.03646	0.2
99.00752	0.7
101.02325	0.6
105.03345	0.2
107.01273	1.9
113.02319	0.6
116.92728	0.8
117.03339	0.4
119.03333	0.2
119.04891	0.3
121.02812	0.6
131.03387	0.2
133.02838	8.2
134.03181	0.5
135.04355	0.2
137.02328	0.6
138.02725	0.2
139.03876	1.0
143.04977	0.2
145.02844	1.9
146.03246	0.2
149.02338	1.7
149.04428	0.2
151.00269	4.7
152.00639	0.3
161.04340	0.2
162.75052	0.1
163.03842	0.2
171.04401	0.2
175.03923	2.4
177.01889	0.2
179.05479	0.2
185.05956	0.3
191.05455	0.2
197.06038	0.3
198.03162	0.4
199.03915	2.4
201.01913	0.7
209.11716	0.3
213.05463	0.5
215.03456	0.4
217.04964	1.3
223.03979	0.4
229.04904	0.2
240.04330	0.2
241.04999	0.9
242.05429	0.1
243.02940	0.6
244.38644	0.1
251.17670	0.2
256.03793	0.3
257.04492	0.4
267.02887	0.3
271.39011	0.1
279.23270	0.3
284.03284	0.8
285.04022	100.0
286.04370	9.2
307.08286	0.8
308.08862	0.2
309.08817	0.2
387.19873	0.2
446.98419	0.1
447.09079	2.0
447.17676	0.8
448.09460	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.8
61.39302	0.6
69.55846	1.5
69.56252	2.0
71.01253	7.0
72.99197	0.6
73.02814	2.3
83.01244	0.6
85.02824	3.5
89.02312	1.3
95.01273	1.3
99.00758	2.6
101.02351	3.3
108.02054	52.4
109.02873	14.8
110.03075	0.6
110.41952	0.5
113.02340	3.0
123.00735	0.8
133.02849	0.6
138.46805	0.5
151.03947	1.4
152.01059	100.0
153.01610	3.9
161.04483	2.1
163.03889	3.0
167.54153	0.6
174.91722	0.5
186.77011	0.5
224.39351	0.6
225.07901	0.5
271.08063	0.6
315.07227	0.7
447.11432	71.9
448.11722	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	447.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.9
69.47224	1.1
69.47630	2.1
70.66904	0.4
71.01263	5.3
72.99186	0.6
73.02814	2.1
83.01225	0.9
85.02824	4.0
89.02322	1.6
93.80219	0.5
95.01273	1.0
99.00767	2.8
101.02316	3.7
105.01815	4.6
108.02052	48.0
109.02861	14.6
110.03152	0.8
113.02330	2.9
118.58594	0.5
121.02863	0.7
122.33546	0.5
123.00818	1.0
123.04414	0.8
135.04460	1.0
151.03935	1.3
152.01059	100.0
153.01715	5.0
161.04462	2.1
163.03941	4.1
179.03456	0.6
195.02948	0.5
203.15498	0.5
271.08289	0.9
315.07346	0.9
447.11441	74.8
448.11853	8.9
472.21240	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23663	0.3
59.01249	4.1
62.96259	0.9
70.37549	0.7
71.01234	0.3
78.95775	36.6
80.14312	0.3
89.02313	0.3
96.96831	2.1
101.02322	0.3
140.86716	0.3
149.00000	18.3
152.99455	1.4
158.92453	1.3
179.01073	2.1
205.15901	1.2
238.25777	0.3
252.27808	0.3
292.76950	0.3
347.08142	0.5
417.12408	0.7
431.10257	2.7
432.10660	0.7
443.42184	0.3
447.13412	100.0
448.13776	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	447.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.9
64.14197	0.5
71.01252	5.4
72.99181	5.5
73.02811	1.8
75.00745	4.5
80.41042	0.4
81.63053	0.5
83.01254	0.6
84.26925	0.5
85.02845	2.4
87.00748	0.5
89.02309	1.3
95.01240	1.2
99.00760	2.2
101.02340	4.7
103.00228	0.9
104.03386	1.3
105.01818	100.0
106.02149	1.7
107.94151	0.6
108.02052	34.1
109.02870	7.3
113.02314	1.5
123.00731	0.7
123.04400	1.5
135.02866	0.6
135.04408	0.8
151.03915	1.2
152.01057	63.4
153.01508	3.1
153.05463	1.8
161.04460	1.2
163.03897	1.5
175.18013	0.5
182.63548	0.5
315.07434	0.7
447.11407	53.2
448.11765	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	447.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08334	0.3
55.01768	0.5
57.03316	0.5
59.01252	100.0
60.01593	1.4
61.98702	0.4
69.35931	2.4
71.01254	12.3
72.99180	0.6
73.02818	2.6
75.00753	0.4
76.87733	0.3
83.01270	1.3
85.02827	4.6
87.00775	0.5
89.02327	4.0
89.52312	0.3
93.03336	0.6
95.01287	1.1
98.32770	0.4
99.00795	1.4
101.02328	7.1
101.03006	0.4
113.02328	4.7
119.03389	2.5
124.64107	0.3
137.02347	1.0
143.03441	1.3
155.16681	0.3
159.02945	0.9
161.04471	8.5
163.11334	0.3
179.05585	1.4
189.12805	0.4
207.13857	0.7
225.14915	1.8
227.87297	0.4
345.11148	0.3
345.15668	1.4
387.16336	0.5
387.20444	4.9
388.20844	0.5
447.18442	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	17.4
61.98700	0.4
65.97726	0.4
66.75644	0.4
67.57213	0.4
71.01252	0.8
74.36471	0.3
78.95776	79.5
85.02788	0.5
89.02318	1.1
94.48149	0.3
96.96838	5.8
98.20608	0.7
101.02332	0.6
111.91711	0.4
113.09644	0.5
117.03355	1.6
119.04907	0.5
137.66519	0.4
137.67668	0.4
145.02867	1.1
150.97929	1.6
152.99490	100.0
153.99861	2.1
160.14198	0.3
161.02371	1.0
161.04427	0.6
171.00522	2.8
207.13951	0.5
225.14990	0.4
238.84857	0.4
253.77753	0.4
279.23373	0.5
285.03934	0.7
289.99380	0.4
293.21213	1.0
387.20306	0.8
391.33722	0.4
447.09204	0.5
447.21481	16.2
447.31073	0.6
448.21671	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	447.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73444	0.3
53.74884	0.3
59.01252	11.8
61.18034	0.3
61.98706	0.5
70.84064	0.6
71.01246	0.9
78.95775	71.4
80.08324	0.3
85.45470	0.3
89.02279	0.6
96.96841	7.4
101.02328	1.0
113.02330	0.5
148.99997	2.5
150.97922	1.8
152.99490	100.0
153.99829	1.7
161.04575	0.4
171.00571	4.1
179.05589	0.4
239.13933	0.3
275.20288	0.3
293.21262	0.8
387.20224	0.5
447.13455	9.5
447.21530	14.2
448.13895	0.9
448.21524	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32832	0.2
59.01253	2.8
62.96272	0.7
71.23497	0.4
78.95777	89.1
85.46300	0.2
96.96843	7.2
129.18480	0.2
139.13214	0.2
149.00008	5.5
150.97916	1.7
152.99492	100.0
153.99849	1.3
158.92464	0.7
160.66754	0.3
171.00555	2.6
179.01079	0.9
187.49786	0.2
205.15886	0.5
293.21222	0.7
310.24792	0.3
378.14520	0.4
431.10562	0.5
447.13449	27.9
447.21506	17.1
448.13806	3.8
448.21854	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	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01589	1.2
71.01256	10.7
71.28737	0.5
72.99191	0.6
73.02857	0.5
83.01296	0.6
85.02837	1.6
89.02322	14.8
95.01274	0.5
101.02319	4.8
113.02331	4.4
117.33681	0.4
119.03397	5.0
120.23547	0.4
131.03471	0.6
143.03464	1.4
149.04434	0.5
157.69362	0.4
161.03378	0.4
161.04468	2.2
179.05524	7.7
316.24020	0.4
440.12045	0.4
454.57507	0.4
459.80423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99330	0.5
56.05707	0.5
59.01253	100.0
60.01576	1.2
64.84055	0.5
70.54255	0.5
71.01250	3.3
73.02830	0.9
85.02818	1.2
89.02337	2.7
92.82677	0.5
98.08504	0.5
99.00774	0.6
101.02310	2.8
113.02344	2.3
119.03405	0.8
122.41225	0.5
123.08076	1.3
128.11366	0.5
148.25055	0.5
153.47551	0.5
161.04457	4.2
161.59145	0.4
163.11252	1.3
179.05589	1.0
189.12766	2.6
207.13908	4.1
212.94060	0.5
225.14998	0.6
244.16064	0.6
244.22665	0.5
280.89758	0.5
387.20401	1.7
447.22467	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.55849	0.8
57.03317	1.9
58.00460	4.0
59.01249	72.1
60.01603	0.9
68.23327	0.9
69.44376	4.3
71.01253	52.5
72.01588	1.4
72.99169	3.2
73.02815	26.4
83.01263	3.1
85.02818	15.4
87.00758	1.7
89.02314	65.3
95.01262	5.8
98.20481	2.0
99.00755	100.0
100.01087	2.5
101.02320	18.8
113.02325	41.7
114.02665	1.2
119.03386	12.2
131.02480	1.1
131.03395	12.1
143.03412	3.8
149.04457	38.5
150.04771	1.5
161.03207	1.5
161.04462	21.2
179.05487	3.0
191.05540	41.0
191.28493	1.0
192.05757	1.8
211.13222	1.2
233.06648	5.6
275.24704	0.9
424.25647	1.0
439.35669	1.0
447.22314	17.8
448.22513	1.7
467.30652	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.6
59.01250	100.0
60.01589	1.0
61.98700	3.6
71.01250	5.0
73.02838	1.3
78.95774	5.2
83.01277	1.1
85.02822	1.7
89.02316	2.6
95.01279	0.5
99.00787	0.8
101.02328	3.0
113.02341	2.7
119.03415	0.8
128.18721	0.3
159.02991	0.3
161.04448	2.6
163.04089	0.4
179.03424	0.4
197.73033	0.4
203.87083	0.3
211.13458	0.5
225.14894	0.4
234.05003	0.4
261.23233	0.4
285.04227	0.9
285.20776	0.5
287.87817	0.4
327.18335	0.7
345.19241	4.0
346.19556	0.6
387.20346	0.9
411.29114	0.4
447.04871	1.8
447.10693	1.2
447.26740	2.2
468.25684	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.8
57.03324	1.2
58.00476	1.8
59.01250	100.0
60.01582	1.9
61.98707	3.4
70.00384	2.7
71.01254	21.5
72.99181	1.6
73.02823	2.2
75.00751	4.3
75.81918	0.8
79.21970	0.7
79.62872	0.6
83.01256	1.0
85.02837	4.3
87.00761	1.6
89.02316	22.5
90.65092	0.9
93.03368	1.9
95.01266	1.1
99.00760	1.6
101.02340	10.9
113.02324	10.1
114.02667	0.7
117.03376	3.2
119.03402	10.0
119.04925	3.1
121.02871	3.9
131.03423	1.9
135.00783	1.0
139.03920	18.0
140.04291	1.0
143.03439	2.7
145.02846	16.4
145.03923	1.1
149.04521	1.2
151.00304	1.1
161.04443	6.3
163.03947	2.7
178.99796	0.7
179.05537	10.7
183.09973	0.7
189.05621	0.7
225.14996	1.0
227.03429	11.4
228.03745	1.1
255.02965	14.6
256.03522	2.2
269.04431	1.7
270.04929	1.3
271.02542	2.6
271.05405	2.2
284.03278	11.6
284.06116	1.1
285.03928	6.4
300.02835	3.1
301.03629	2.3
307.08273	10.0
308.08646	1.0
375.69989	0.8
387.20233	6.0
429.12076	2.1
447.09259	17.1
448.09689	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	447.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72779	0.5
53.70278	0.5
57.03312	0.9
59.01252	22.8
71.01237	1.4
71.37630	0.5
78.95777	19.9
85.02885	0.6
89.02297	1.5
93.03318	0.8
96.96857	1.3
101.02322	1.4
101.17791	0.5
113.02309	0.7
117.03359	14.8
119.04916	49.1
120.05241	1.9
145.02856	100.0
146.03186	4.9
150.97980	0.7
152.99493	25.5
161.02354	0.6
161.04515	1.2
163.03929	40.8
164.04276	1.7
221.19044	8.8
222.19350	0.8
225.14954	0.6
265.18060	5.4
279.19702	0.8
279.23383	0.5
283.19153	9.7
284.19531	1.0
285.04037	1.0
301.20209	20.5
302.20605	2.2
327.69330	0.6
370.19138	0.7
387.20691	0.6
419.14999	1.4
447.14130	1.8
447.23935	42.5
448.24301	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	447.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83205	0.3
53.98923	0.3
57.03319	0.6
59.01253	11.6
61.98708	0.5
70.81956	0.3
71.01247	0.6
71.38357	0.6
78.95765	1.9
85.86913	0.4
89.02315	0.5
93.18847	0.3
101.02348	0.3
117.03355	16.2
118.03690	0.7
119.04922	48.0
120.05274	2.4
135.04468	0.4
143.90189	0.3
145.02867	100.0
146.03215	4.4
152.99507	2.5
161.02460	0.4
163.03934	38.6
164.04282	1.9
221.19058	8.0
222.19431	0.7
225.14842	0.5
239.20117	0.4
247.35062	0.3
261.30545	0.3
265.18082	6.3
266.18326	0.4
283.19159	9.3
284.19516	0.9
301.20197	21.0
302.20551	1.8
387.20361	0.5
429.22876	0.6
447.23883	48.6
448.24200	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	447.254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84934	0.7
59.01250	46.1
71.01251	4.1
71.50665	0.9
85.02821	1.5
89.02328	2.9
101.02340	3.2
109.53746	0.8
113.02341	1.4
119.03339	1.0
145.02846	1.7
152.99515	1.3
153.09149	1.0
161.04462	1.3
161.09595	1.0
179.05505	1.2
189.12738	3.6
215.10628	1.0
225.14926	1.2
226.09904	2.6
227.10735	4.6
228.11484	4.1
260.10510	2.7
267.13898	1.0
279.23181	1.1
285.03986	1.0
309.15030	1.0
333.14987	0.9
359.16522	1.5
375.19626	7.3
376.20071	1.0
387.19687	9.5
401.21289	6.7
402.21970	27.8
403.22192	4.2
417.24344	100.0
418.24643	17.5
434.20853	3.4
447.09708	1.0
447.25705	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	447.2602
Annotation	N-Acetyl-leu-leu-tyr-amide
Peak:m/z	Relative Intensity
53.56095	0.4
55.01756	1.1
57.03314	0.7
58.00454	1.7
58.11819	0.4
59.01255	42.5
60.01572	0.6
63.44026	0.4
69.38365	3.5
71.01259	18.2
71.22217	0.4
72.99174	2.1
73.02831	2.2
75.00746	0.5
78.95786	1.1
83.01266	1.3
85.02831	4.6
87.00737	1.2
89.02321	14.0
95.01268	1.2
97.02832	0.5
99.00766	0.7
101.01712	0.9
101.02337	11.9
104.59149	0.4
113.02343	5.4
119.03398	5.0
134.03645	0.5
135.04387	0.7
151.00299	0.7
152.99541	0.4
161.04420	1.1
179.05516	1.0
207.13814	0.7
209.19087	0.5
211.13330	3.3
211.67921	0.5
221.19130	1.1
225.14897	0.5
239.20132	4.5
242.05965	0.5
251.34486	0.4
256.11777	0.4
267.19650	1.8
268.20084	0.5
269.21292	0.9
285.04044	1.2
285.20731	34.5
286.04617	0.8
286.21069	3.8
310.04849	0.6
354.74475	0.4
367.75568	0.4
387.20166	1.1
447.26022	100.0
448.26355	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	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07926	0.3
57.03331	0.8
59.01249	36.3
60.01608	0.4
61.98700	100.0
63.00032	0.3
69.64275	2.0
71.01254	6.2
72.01617	0.4
72.99190	0.7
73.02818	1.2
75.00772	0.4
83.01273	0.7
85.02824	2.1
87.00761	0.4
89.01769	0.7
89.02312	8.0
93.03288	0.3
95.01269	0.5
97.46677	0.4
98.19807	0.4
99.00779	0.8
101.02326	4.9
113.02336	3.6
119.03405	3.1
125.02346	2.7
143.03435	0.6
151.00264	1.0
153.01891	0.4
161.04495	2.6
165.01862	1.0
179.05592	1.7
205.66905	0.3
215.07262	0.3
259.06113	2.6
268.73831	0.3
269.04498	2.3
287.05768	1.1
318.04526	0.3
338.79144	0.4
374.57309	0.4
388.20706	1.1
389.21805	3.6
449.11032	1.2
449.19730	0.6
449.24588	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53885	0.3
57.03333	0.4
58.00461	0.3
59.01251	47.9
60.01596	3.7
61.01685	0.3
61.98702	100.0
66.67065	0.3
66.98681	0.3
67.12277	0.3
69.34952	0.8
69.35378	1.8
71.01250	7.4
72.01590	0.5
72.99190	0.5
73.02813	1.4
83.01292	0.6
84.75485	0.3
85.02834	2.8
87.00739	0.8
89.02318	6.2
90.02692	0.5
94.25737	0.4
95.01233	0.5
98.20477	0.8
99.00755	4.1
101.02312	4.8
102.02692	0.4
113.02319	4.0
119.03356	2.0
123.08047	0.3
125.02298	0.6
131.03391	0.7
139.61031	0.4
143.03368	0.7
149.04443	1.8
161.04465	2.6
161.60341	0.4
162.04784	0.7
179.05412	1.0
191.05533	1.7
219.24194	0.3
269.04556	0.4
287.18381	0.5
388.20386	0.8
389.21262	0.9
428.24918	0.3
444.52402	0.3
449.19061	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	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.6
57.03320	1.1
58.00470	1.3
59.01253	31.8
60.01587	1.9
61.01675	1.5
61.98704	100.0
71.01254	19.7
71.52510	1.0
72.99178	1.6
73.02814	6.2
75.00751	0.8
78.75553	0.8
83.01260	2.8
85.02832	9.8
85.70482	0.6
87.00773	1.2
89.02313	13.2
89.02830	1.0
95.01270	1.0
99.00751	10.6
101.02316	12.1
101.02918	1.0
106.00233	0.6
111.00823	0.8
113.02349	10.6
119.03411	4.0
122.72342	0.7
129.01852	0.7
131.03412	2.1
137.02290	0.8
143.03424	1.5
149.04466	6.6
159.02948	0.9
161.04474	7.1
175.53987	0.6
179.05705	0.9
191.05554	4.0
227.03456	3.5
228.03801	7.3
233.06754	1.0
255.02956	3.5
256.03329	6.6
270.04953	0.8
272.05420	2.1
284.03342	1.9
285.03592	5.9
286.04459	2.7
293.09061	0.8
301.51285	0.7
317.16064	20.8
317.19525	1.4
448.09622	11.6
448.15216	0.9
449.10626	1.3
449.20255	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	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.1
57.03322	1.0
58.00448	0.8
59.01252	46.3
60.01582	3.6
61.98704	100.0
63.51320	0.8
66.01553	0.7
69.16552	6.9
71.01254	13.8
72.01599	0.9
72.99180	1.3
73.02816	4.3
75.00754	0.9
83.01261	2.7
85.02841	4.6
85.03302	0.9
86.03134	0.8
87.00735	0.8
89.02319	13.2
90.02657	0.8
91.50055	0.8
93.03345	1.0
95.01254	1.1
98.19723	1.6
99.00777	3.9
99.01352	0.9
101.02314	9.4
106.25043	0.7
113.02335	8.0
119.03396	3.5
119.04932	0.9
120.03745	1.2
120.05348	0.7
121.02828	1.0
121.57539	0.8
121.92980	0.8
131.03403	1.6
137.02397	0.8
139.03946	5.6
140.04253	2.6
143.03371	1.1
145.02856	4.4
146.03172	2.6
149.04501	1.9
157.00934	0.9
161.04480	4.7
174.01445	0.8
179.05518	2.6
191.05621	1.2
227.03394	4.7
228.03780	6.9
255.02919	3.7
256.03348	10.2
257.03748	1.0
284.03214	3.3
285.03625	8.8
286.04431	2.9
301.03073	1.0
307.08426	1.2
308.08542	2.9
317.16061	4.9
334.67700	0.8
388.20703	1.8
389.21994	1.1
442.33359	0.9
448.03851	1.4
448.09634	17.0
449.10049	2.8
449.20114	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	449.1092
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
55.01762	4.3
57.03053	0.6
57.03320	4.7
58.00465	2.0
59.01248	93.6
60.01587	1.3
61.98703	2.4
63.02266	0.7
65.00189	9.0
68.19997	0.6
68.99680	1.1
69.03329	0.7
71.01251	48.5
72.01601	0.9
72.99189	3.7
73.02815	15.1
75.00756	1.2
80.04942	0.9
81.03339	0.7
83.01256	12.7
85.02818	23.2
85.99996	1.4
87.00747	3.6
89.02318	20.7
94.06508	1.0
95.01244	3.7
96.00790	1.9
96.08061	2.7
97.01569	7.0
97.06481	0.9
98.05989	1.7
99.00749	5.7
101.02321	41.4
102.02633	1.0
107.01275	15.8
108.02109	1.0
108.04432	1.5
109.01564	1.1
109.02818	1.3
109.05257	1.5
110.05985	1.9
111.00768	5.2
113.02327	22.5
114.02665	0.9
118.48206	0.6
119.03380	6.7
120.08071	4.4
124.07568	41.9
125.02333	5.4
125.07920	1.6
126.05502	1.1
129.01848	1.7
131.03401	1.2
131.82852	0.7
133.02779	0.9
134.03531	0.8
135.04410	60.9
136.04790	2.7
137.02333	3.1
138.05539	2.0
141.01811	0.9
143.03401	3.1
145.02815	1.2
149.02432	0.7
149.04533	0.9
151.00269	84.8
152.00626	3.2
152.99486	1.5
157.12256	1.6
159.02928	4.5
159.04076	0.7
160.07605	0.8
161.02350	2.3
161.04442	15.4
162.05592	1.7
165.01811	0.9
169.01318	1.5
177.01883	1.0
178.05014	0.9
178.08559	1.0
179.03419	0.8
179.05548	2.7
192.06610	1.0
220.47595	0.6
243.14919	8.4
258.55911	0.7
266.15189	0.7
285.03961	4.5
286.04404	3.9
287.05606	62.3
287.13998	100.0
287.22382	2.7
288.06012	6.7
288.14340	8.9
297.09708	1.3
300.05252	0.8
301.15588	5.1
319.17645	2.7
329.15054	9.6
330.15298	1.0
332.55585	0.7
333.19107	2.0
371.20694	0.9
389.21567	5.9
389.26022	1.0
413.25287	5.3
431.26398	3.7
449.10745	19.4
449.27594	69.9
450.11124	1.9
450.27975	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	449.1093
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
57.03319	2.0
58.00459	1.8
59.01250	73.1
59.80622	0.7
60.01572	2.3
61.98689	3.0
65.00196	8.8
67.65257	0.7
69.28836	6.3
69.85654	0.8
71.01247	18.2
72.99178	1.3
73.02817	2.8
83.01241	5.3
85.02803	5.2
87.00764	1.8
89.02320	13.0
93.03346	8.5
95.01276	1.6
99.00766	2.9
99.04381	6.3
101.02320	9.0
107.01272	18.4
108.02070	7.7
109.02858	3.6
113.02315	7.8
119.03361	4.4
121.02897	1.0
123.04402	3.1
125.02332	5.0
131.01299	2.0
133.02910	1.7
134.03635	1.1
135.04416	80.8
136.01434	0.8
136.04753	4.5
137.02345	13.9
138.02664	0.9
143.03403	1.2
147.04399	0.8
151.00275	97.4
152.01068	13.0
159.72990	0.8
161.02356	2.1
161.04474	1.9
165.01898	1.8
165.12727	3.9
166.53667	0.6
167.03415	18.8
168.03722	1.1
169.01321	2.8
175.00275	7.1
177.01778	1.2
179.03386	1.0
179.05452	1.2
191.05516	1.1
193.01332	1.8
207.13919	7.8
209.11792	19.3
209.13768	1.3
210.12157	1.2
225.14905	5.5
251.12859	3.7
269.13940	71.6
270.14282	5.9
281.06659	13.3
284.03226	2.6
285.03888	7.9
286.04065	8.7
287.05630	100.0
288.05994	8.5
313.05707	1.0
395.31943	0.8
449.10358	23.0
449.20215	40.3
450.10751	3.8
450.20676	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	449.1817
Annotation	Neoglabrescin A
Peak:m/z	Relative Intensity
55.07484	0.2
58.63810	0.2
59.01253	11.8
68.99370	0.2
68.99680	1.6
71.01247	2.7
72.99172	0.3
73.02827	0.5
75.00716	0.2
80.54269	0.2
82.52449	0.2
83.01265	0.4
85.02831	0.7
87.00777	0.4
89.02319	2.2
89.89748	0.2
93.03351	0.4
98.19765	0.6
101.02316	1.4
111.00881	0.3
113.02336	1.2
115.05386	0.7
117.03349	32.1
118.03701	1.3
119.03397	0.8
119.04913	13.0
120.05270	0.5
121.02866	0.6
127.67635	0.3
133.02844	0.9
135.04388	1.1
143.04929	11.9
144.05270	0.6
145.02853	100.0
146.03186	5.1
147.04449	0.4
161.02356	0.9
161.04472	0.4
161.05969	1.0
163.03925	7.2
179.03427	1.0
187.03929	19.7
188.04359	1.4
205.05023	1.1
223.06116	1.2
269.40961	0.3
307.08237	0.4
389.16086	6.9
390.16486	1.2
407.17065	3.7
408.17773	0.4
449.18149	35.4
450.18515	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	449.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.7
58.00460	2.2
59.01251	86.5
60.01569	1.4
69.59534	4.9
71.01257	17.6
72.99173	1.5
80.70335	0.8
83.01246	1.0
85.02824	4.4
87.00728	1.3
89.02312	18.7
95.01287	1.0
98.19799	1.5
99.04401	11.9
101.02338	7.7
113.02322	6.7
119.03400	5.4
155.94083	0.9
165.12781	6.1
179.05516	1.5
189.12740	2.3
191.10703	1.0
196.98953	0.9
207.13860	10.5
207.27037	0.9
208.14207	1.4
209.11789	32.5
210.12073	2.0
225.14899	8.7
251.12854	7.1
269.13937	100.0
270.14346	7.6
287.15112	1.1
445.20135	0.9
449.20270	52.1
450.20569	7.5
464.96103	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	3.2
57.03308	2.7
58.00462	2.5
59.01250	59.7
60.01581	1.2
61.01659	1.0
61.98701	23.3
63.99106	0.7
69.41868	5.0
71.01254	57.6
72.01581	1.4
72.99177	3.9
73.02821	22.3
75.00745	3.6
79.17952	0.7
83.01266	8.8
84.02022	0.8
85.02821	22.4
85.99979	0.9
86.03143	1.1
87.00755	3.7
89.02318	39.8
95.01258	4.5
97.02837	1.2
99.00755	34.2
101.02319	42.6
102.02631	1.4
108.02027	0.8
111.00803	0.8
113.02328	27.5
114.02705	0.9
119.03385	9.2
125.02315	1.9
129.01813	1.7
131.03410	4.7
143.03389	3.1
149.04460	17.7
155.10693	1.3
159.02867	2.9
159.91547	0.7
161.04460	24.4
162.04762	1.2
179.05515	2.1
183.10101	0.8
191.05524	10.9
209.11684	0.9
213.11462	0.7
227.03389	0.9
227.12776	0.9
229.03976	1.2
233.06528	3.4
255.02971	1.6
256.03391	1.0
257.03519	2.4
268.49265	0.7
284.03207	1.0
285.03656	1.3
286.03983	2.1
293.08621	1.0
317.16037	57.5
318.16260	5.7
359.17133	1.0
361.15134	0.7
449.09903	5.4
449.20258	100.0
450.20575	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	449.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69147	0.2
51.83195	0.3
59.01254	1.8
60.01880	0.3
66.41885	0.3
70.42986	0.8
78.95774	58.4
96.96838	6.2
150.97955	1.6
152.99487	100.0
153.99835	1.8
160.11731	0.3
171.00533	3.9
180.87701	0.3
195.13774	0.4
208.53711	0.3
263.28409	0.3
295.22867	0.6
369.39987	0.3
418.86078	0.3
449.23068	14.4
450.23520	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.1
59.81063	0.3
61.99348	0.3
67.93714	0.4
78.95778	73.4
81.78151	0.4
96.96848	5.3
126.12704	0.3
150.97983	1.6
152.99492	100.0
153.99861	1.8
154.99991	0.4
171.00528	2.4
224.96855	0.4
229.30391	0.4
267.62140	0.3
277.21628	0.3
295.22794	1.1
397.82657	0.4
405.24783	0.4
449.23099	21.7
450.23627	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	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30048	0.5
59.01253	100.0
60.01588	1.2
61.98707	0.9
63.96106	3.1
71.01257	4.1
71.52214	0.5
73.02834	0.6
73.42741	0.5
79.95618	4.9
80.96433	0.4
83.01280	0.7
85.02840	1.4
89.02323	3.3
101.02317	2.8
113.02355	1.9
119.03449	1.3
121.02868	0.8
133.02933	0.5
135.04454	0.7
161.02399	0.9
161.04497	0.5
179.03487	0.8
183.13872	2.9
195.13844	3.4
205.82666	0.5
209.77351	0.6
213.14902	14.6
214.15367	1.1
223.13118	0.5
357.19196	3.1
389.21988	0.6
449.22192	2.4
449.28131	11.7
450.28641	1.7
454.53848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27930	0.2
50.81896	0.2
59.01250	100.0
60.01588	1.0
61.98718	0.4
71.01253	4.6
71.32668	0.3
73.02815	0.9
83.01255	0.3
85.02827	1.3
87.00708	0.2
89.02316	4.4
89.02837	0.3
90.57702	0.2
95.81204	0.2
97.79633	0.2
99.00755	0.4
101.02323	3.9
113.02331	1.9
119.03392	2.4
125.70529	0.2
131.03401	0.2
143.03479	0.6
145.31721	0.2
149.04504	0.3
159.02936	0.3
161.04478	2.1
179.05515	1.2
198.91664	0.2
202.53088	0.2
374.77817	0.2
389.21823	5.0
390.22339	0.7
434.21155	0.2
449.24213	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34114	0.4
57.03340	0.6
58.00489	0.5
58.35895	0.4
59.01251	100.0
59.20731	0.5
60.01581	1.1
61.01663	0.6
61.72681	0.5
61.98701	8.7
66.56684	0.5
67.24466	0.5
69.52171	1.5
69.52584	1.7
71.01257	17.6
72.99195	1.7
73.02819	1.3
80.64089	0.6
83.01256	1.3
83.09220	0.5
85.02832	4.3
86.25837	0.5
87.00768	1.4
89.02319	25.9
90.02695	0.8
93.03358	1.3
95.01287	0.7
99.00776	1.2
101.02321	13.8
107.04936	0.8
110.09125	0.4
113.02330	8.8
119.03391	11.8
123.04404	0.8
124.23746	0.5
125.02374	1.1
131.03407	1.5
135.04446	0.8
137.02385	2.1
143.03418	2.9
145.02861	0.7
149.04451	1.3
151.03902	0.5
153.09122	2.9
155.10661	0.6
161.04474	3.9
179.03311	0.7
179.03731	0.6
179.05530	10.2
189.07915	0.5
207.13835	0.7
209.11920	0.8
209.15366	2.7
227.16628	0.7
269.13986	2.0
317.16077	0.7
389.21808	10.7
390.22226	1.1
449.19516	3.4
450.20319	0.7
458.72806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.3
57.03328	1.1
58.00480	0.7
59.01252	100.0
59.68281	0.4
60.01583	1.0
61.98700	2.1
65.00182	3.1
69.54636	0.7
69.55036	2.0
70.34946	0.3
71.01254	16.5
72.99189	1.4
73.02824	5.6
78.41026	0.3
83.01260	4.1
85.02827	7.7
87.00776	1.1
87.98315	0.5
89.02318	9.9
89.02838	0.7
93.69895	0.4
95.01289	1.0
97.02837	0.6
99.00758	2.4
101.02325	12.2
107.01271	6.9
107.01945	0.4
109.02829	0.7
111.00800	1.1
113.02332	7.5
117.03345	0.4
119.03391	3.8
119.04907	0.7
124.07581	2.9
125.02344	2.2
129.01813	0.4
131.03423	0.7
135.04419	26.7
136.04793	1.5
137.02374	0.5
143.03430	0.8
145.02849	0.5
151.00282	37.1
152.00682	1.8
159.02914	1.3
161.02376	1.0
161.04454	4.6
169.01338	0.9
177.01875	0.4
179.05620	1.0
243.14833	0.9
269.13919	0.4
271.14600	0.6
287.05621	25.7
287.14032	5.9
287.22385	1.1
288.05896	2.9
288.14502	1.0
297.09985	0.6
329.15131	0.6
371.20593	0.9
389.21799	5.0
390.22382	0.9
431.27301	0.5
449.10788	6.3
449.20847	0.8
449.27701	14.4
450.11142	1.0
450.21600	0.5
450.27844	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	449.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20290	0.4
55.01759	2.6
57.03320	2.8
58.00471	1.4
58.01239	0.4
59.01252	100.0
60.01583	1.5
61.98698	0.8
62.79445	0.4
69.03336	0.4
71.01254	58.1
71.33501	0.4
72.01591	1.1
72.99184	2.9
73.02819	14.6
75.00758	1.1
81.03357	0.6
83.01257	7.0
84.02055	0.6
85.02823	22.2
86.03185	0.8
87.00753	3.5
89.02318	40.7
90.02708	0.4
92.96552	0.4
93.03346	0.5
95.01260	4.1
96.95893	0.6
97.02842	1.3
99.00753	5.8
101.02322	44.0
102.02678	0.8
106.42686	0.3
111.00806	1.7
111.08089	0.7
113.02336	24.3
114.02679	0.8
117.03406	0.5
119.03391	16.1
119.04819	0.8
120.03682	0.3
121.02844	1.1
125.02343	1.2
129.01846	1.1
131.03395	2.6
135.04427	0.5
137.02371	1.4
139.03905	7.2
143.03409	5.8
145.02798	1.8
146.50290	0.4
149.04456	2.0
151.03897	0.5
153.09113	4.2
157.12334	0.5
159.02898	4.5
161.02396	0.9
161.04472	20.5
162.04832	0.8
163.03955	0.5
175.25992	0.3
178.60757	0.4
179.05528	11.3
179.06978	0.7
180.05951	0.5
202.16583	0.4
205.03441	0.7
209.15440	3.7
210.15894	0.4
227.16510	0.5
229.53804	0.5
251.20277	0.8
266.07892	0.5
266.93872	0.4
269.21112	0.5
287.18985	0.7
287.22241	5.6
288.22464	0.6
368.00485	0.4
389.21826	19.7
390.22180	3.0
418.16879	0.4
431.26462	1.2
449.21246	1.3
449.27710	29.7
450.28110	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	449.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59652	0.3
59.01244	1.1
69.19720	1.0
69.20136	1.7
72.44075	0.4
78.95776	7.6
83.99486	0.3
110.98412	5.6
152.99419	0.4
167.01044	5.3
185.02142	3.6
195.81726	0.3
233.98759	0.3
281.24857	100.0
282.25220	11.5
353.20828	0.3
449.26724	10.8
450.27200	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.4
62.41261	0.3
69.21002	1.0
69.21424	1.6
78.95779	13.7
104.97340	0.4
110.98414	10.9
152.99440	0.5
167.01064	12.5
185.02130	3.3
223.30026	0.3
242.78177	0.3
281.24860	100.0
282.22043	0.6
282.25198	10.7
294.43530	0.3
310.86011	0.3
449.26721	17.3
450.27121	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	449.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78917	0.3
59.01241	0.8
69.51624	0.9
69.52038	1.2
78.95774	15.1
98.20594	0.3
104.97385	0.6
105.97742	0.3
110.98418	10.5
136.99940	0.4
152.99467	0.6
153.78795	0.3
158.64587	0.4
167.01057	11.6
168.01294	0.4
185.02121	3.9
259.58789	0.4
281.24850	100.0
282.25183	11.2
296.25998	0.4
308.46143	0.3
355.42218	0.3
357.92700	0.3
425.45953	0.4
425.55743	0.4
449.26733	17.6
449.32193	0.6
450.27072	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	449.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53874	0.3
55.01773	0.5
57.03323	0.6
57.69339	0.3
58.00461	0.4
59.01250	100.0
60.01588	1.3
61.75860	0.3
61.98717	0.7
69.28246	2.6
71.01254	7.7
72.99161	0.4
73.02818	3.1
75.00765	0.5
76.97762	0.3
83.01263	1.7
85.02824	4.7
87.00764	0.8
89.02299	1.6
93.03365	0.5
95.01291	0.9
99.00773	1.1
101.02329	5.1
111.00817	0.6
113.02338	3.4
119.03394	0.7
125.02331	0.3
125.77199	0.3
133.02846	2.1
135.04404	1.6
136.84631	0.3
137.02371	0.4
143.03447	0.3
159.02905	0.6
159.04352	0.4
161.02364	6.5
161.04411	1.9
162.02742	0.4
172.05156	0.4
173.05995	0.4
174.06569	0.4
179.03461	0.9
187.07513	2.1
188.08080	0.5
198.43544	0.3
202.06253	0.6
213.09274	1.1
213.11345	0.3
231.10194	2.0
232.10596	0.5
245.21408	0.4
287.22455	0.8
328.41028	0.3
389.25555	2.7
390.26395	0.3
407.26483	4.9
408.27115	0.6
410.18698	0.3
449.27704	3.7
450.28110	0.8
461.16809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.9
55.03988	0.2
57.03334	0.9
58.00470	0.3
59.01251	100.0
60.01589	1.2
61.98708	0.5
71.01254	8.1
72.99177	0.4
73.02821	2.5
73.92859	0.2
75.00756	0.5
78.95766	0.4
83.01259	3.0
85.02825	5.4
85.99993	0.3
87.00759	0.5
89.02313	1.3
92.79678	0.2
93.03329	0.2
95.01291	0.8
97.02847	0.4
99.00761	1.3
101.02327	5.9
111.00790	0.7
113.02338	4.4
119.03390	0.4
125.02380	0.6
133.02835	2.3
134.03606	0.3
135.04427	2.0
136.04800	0.3
137.02396	0.5
143.03416	0.4
145.02821	0.4
159.02931	0.6
159.04257	0.2
161.02359	4.8
161.04384	1.3
162.02692	0.4
172.05240	0.5
173.06071	0.6
174.06647	0.2
175.07620	0.5
178.02686	0.3
179.03438	1.1
183.27675	0.2
187.07597	1.9
188.08064	0.2
191.05540	0.3
202.06313	1.0
213.09193	0.7
228.10327	0.2
231.10252	2.1
232.10512	0.2
245.21312	0.6
275.09445	0.5
276.09903	0.2
287.19055	0.2
287.22272	0.5
311.09595	0.5
389.25528	6.2
389.30368	0.4
390.25980	0.7
407.26505	7.5
408.26904	1.1
449.22070	0.2
449.27747	2.3
450.28088	0.4
461.17188	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24566	0.6
57.03337	0.6
59.01251	52.1
60.01585	7.4
61.01678	5.0
61.98704	100.0
62.02018	0.7
70.64418	1.3
71.01255	6.2
72.01579	0.9
73.02801	1.5
75.00767	0.7
75.19501	0.6
83.01271	0.9
85.02832	1.9
87.00723	0.8
89.02312	5.6
99.00772	2.1
101.02338	3.5
113.02342	2.7
114.02686	0.9
119.03436	1.9
120.03848	0.6
124.08247	0.6
135.04443	0.6
142.36548	0.5
143.03510	0.6
149.04556	1.1
161.04463	1.3
167.03488	0.8
179.05496	0.9
192.05844	0.7
208.14169	0.8
226.15126	0.9
390.22256	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	451.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.3
57.03313	1.4
57.13731	0.9
59.01249	9.4
68.99703	1.6
70.65541	2.4
71.01244	6.2
72.99172	4.3
73.02804	1.2
75.00747	15.5
75.02445	1.0
81.03370	0.9
83.01254	4.9
84.99158	1.9
85.00893	1.7
85.02815	1.4
87.00750	3.2
89.02325	4.0
98.69054	0.9
99.00753	4.6
100.98693	2.1
101.02309	3.3
103.00247	8.0
111.00777	2.0
112.98701	23.1
113.02322	1.7
115.00271	1.7
115.01956	1.9
117.01810	2.5
124.98710	1.2
125.02319	1.9
127.00256	2.0
127.01919	1.1
129.01839	1.8
142.99767	1.6
143.01462	1.7
143.03337	1.2
145.01329	16.6
157.01244	1.4
171.00974	3.2
172.23203	0.9
231.03142	22.2
233.31105	1.0
263.05862	7.1
303.01654	5.6
303.04965	1.7
331.04968	1.0
335.04443	1.0
358.33774	0.8
359.04221	5.1
391.06909	3.0
401.16602	0.9
419.06311	1.7
427.16653	1.0
451.08990	100.0
452.09717	14.2
476.68808	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	4.0
60.26675	0.9
62.28590	1.1
69.03325	2.4
69.31490	0.9
71.09529	1.9
71.09859	0.9
78.95776	28.5
81.80725	1.0
84.45004	1.0
96.28611	0.9
96.96841	3.3
109.06509	1.5
149.09564	1.4
150.97926	1.4
152.99493	45.6
160.67192	0.9
167.10669	4.1
171.00555	2.1
179.10681	2.2
179.14342	3.8
195.13832	14.4
196.14162	2.2
205.12265	12.3
223.13353	100.0
224.13675	8.3
227.03165	6.5
245.04269	3.6
254.56903	1.1
353.19455	1.1
359.12677	2.3
367.08334	1.1
388.00925	1.2
451.17377	80.2
452.17813	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	451.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75551	0.7
55.01740	2.1
57.03313	1.9
58.00469	4.1
59.01250	79.9
61.98701	2.1
62.30697	0.7
62.36488	0.7
71.01254	60.2
71.38057	1.7
72.01601	1.3
72.99177	2.9
73.02821	23.8
73.23902	0.7
80.53773	0.8
83.01255	4.4
83.55271	0.7
85.02817	15.9
87.00745	2.4
89.02316	87.1
90.02640	1.6
95.01264	7.7
99.00755	100.0
100.01105	2.3
101.02322	30.3
113.02328	52.1
114.02688	1.7
115.13027	0.9
119.02577	1.5
119.03390	21.2
121.83141	0.7
125.02333	0.8
128.75583	0.9
131.03391	17.3
131.04382	0.9
131.33397	0.8
138.54887	0.7
143.03378	7.2
149.04460	71.4
150.04770	2.4
161.04462	35.1
179.05524	11.6
191.05534	63.8
192.05821	2.3
233.06609	16.3
234.06865	0.8
245.94841	0.8
274.33145	0.8
293.08856	3.0
319.17630	4.1
451.21841	64.1
452.22095	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	451.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93891	1.0
53.10192	1.2
55.01742	2.7
57.03305	2.7
57.27826	1.0
58.00452	4.3
59.01250	81.5
60.36990	1.1
61.98690	4.7
64.46645	1.1
68.76432	1.0
69.47221	3.6
69.47640	3.6
71.01253	69.6
72.01601	1.1
72.99177	4.5
73.02821	26.8
81.03319	2.0
83.01262	3.3
83.04902	2.6
85.02824	20.9
87.00742	3.3
89.02318	73.3
95.01262	6.2
99.00757	100.0
100.01105	3.3
101.01706	2.1
101.02322	29.8
113.02332	44.3
119.03389	11.6
131.03400	13.9
142.20297	1.1
143.03381	4.2
149.04459	51.8
150.04785	2.0
161.04460	23.2
179.05550	5.9
191.05542	47.9
192.05847	2.0
233.06604	10.4
263.20755	1.0
293.08737	2.6
319.17630	9.8
451.21738	32.9
451.32388	12.8
452.22214	5.4
452.32425	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.6
57.03311	0.8
58.00457	0.8
59.01251	14.5
60.01585	0.4
61.98702	1.1
69.03327	0.3
71.01254	13.3
71.51088	0.4
72.99173	0.7
73.02821	5.6
75.00759	0.3
76.92539	0.3
81.03331	9.3
82.03654	0.5
83.01266	1.4
83.04897	23.7
83.55162	0.3
84.05225	0.6
85.02821	5.3
87.00738	0.8
89.02316	14.4
90.02666	0.5
93.03364	0.4
95.01260	1.4
99.00756	19.3
100.01084	0.4
101.02324	8.0
101.02996	0.5
107.06047	0.6
108.04417	0.7
113.02338	9.0
114.02676	0.4
119.03387	2.6
125.07104	3.7
126.05544	0.4
131.03381	2.9
137.02261	0.3
143.03387	1.1
143.08154	1.5
149.04468	9.6
159.02930	0.3
161.04463	6.5
179.05486	1.0
191.05530	8.0
191.07153	0.6
207.14944	3.2
208.15309	0.4
224.17624	5.5
225.16035	12.5
226.16365	0.9
227.17374	0.3
233.06612	1.8
242.18678	1.6
250.15538	0.4
290.22598	0.3
309.21756	0.4
319.13998	0.8
319.17514	5.6
320.17633	0.4
324.26706	1.6
333.22931	4.6
351.24063	1.1
354.34958	0.4
367.12579	0.5
367.27023	1.4
385.28232	0.4
433.31796	6.3
434.31931	0.5
451.21957	6.7
451.32870	100.0
452.22470	1.0
452.33185	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	451.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65699	0.9
52.29864	1.0
52.66167	1.0
55.01757	2.0
57.03319	2.1
58.00460	2.0
59.01249	59.3
60.01591	1.2
61.98675	1.8
66.50599	0.9
66.73695	1.0
71.01254	41.1
72.01595	1.3
72.99179	1.7
73.02819	22.2
83.01254	2.4
85.02831	14.5
87.00761	1.8
89.02316	52.4
95.01278	5.2
99.00758	100.0
100.01106	2.4
100.52700	1.1
100.82060	1.1
101.02320	17.9
113.02330	35.9
113.75501	1.2
114.02708	1.2
118.51272	1.0
119.03386	5.9
131.03416	13.7
136.21336	1.3
143.03412	2.4
145.08569	2.3
149.04468	56.1
149.26070	1.0
150.04770	1.5
155.10710	1.3
157.14456	1.0
161.04456	19.4
162.04832	1.3
179.03391	1.0
179.05435	1.1
191.05531	40.8
192.05891	2.2
199.13329	1.2
202.92143	1.1
229.14404	35.4
230.14787	1.9
233.06644	8.2
271.15530	2.5
293.08829	2.3
307.13870	2.6
362.43234	1.1
451.21936	5.8
452.21979	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	451.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79274	1.3
57.03308	3.2
58.00457	2.3
59.01249	63.7
60.55767	1.4
61.98685	2.9
64.97844	1.3
66.04327	1.3
67.97205	1.4
71.01254	42.3
71.17354	1.4
72.99177	1.3
73.02437	2.3
73.02823	24.4
81.03330	1.5
85.02819	12.2
87.00766	2.0
89.01750	2.9
89.02310	56.0
95.01253	5.3
99.00755	100.0
100.01106	2.9
101.02315	17.1
113.02330	38.7
119.03378	6.3
119.29237	1.4
131.03404	13.9
143.03409	3.3
149.04453	57.8
153.62421	1.4
161.04474	22.3
176.74237	1.6
179.05518	1.6
187.90857	1.3
191.05548	47.9
192.05865	2.0
209.11871	1.2
211.13374	1.6
229.14404	54.6
230.14691	4.2
233.06633	11.5
271.15518	3.8
293.08646	2.3
347.48746	1.5
420.24213	1.5
424.59808	1.5
451.21609	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	451.255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74821	0.7
55.01542	0.6
55.01760	5.0
57.03329	4.0
58.00467	1.9
59.01252	32.7
61.98701	1.0
68.99696	0.8
69.03324	1.5
69.32126	4.3
71.01257	50.7
72.01588	0.6
72.99182	3.6
73.02822	33.2
74.03178	0.8
75.00735	1.3
83.01263	13.3
85.02824	29.8
85.99980	2.1
86.03159	0.7
87.00751	2.5
89.02316	10.0
95.01273	3.8
97.02838	3.0
99.00755	13.8
101.02325	57.3
102.02648	1.5
111.00764	2.5
112.01526	1.0
113.02335	20.0
123.04398	2.6
124.86964	0.6
125.02348	1.7
127.76421	0.7
129.01849	1.4
131.03416	2.8
143.03418	1.7
149.02356	1.4
155.14226	0.8
159.02934	4.6
161.04463	20.1
166.91612	0.6
197.11728	1.3
205.03528	1.3
227.16537	0.7
253.18126	0.8
293.59982	0.6
302.02432	0.6
317.97110	0.6
319.21249	76.8
320.21567	7.5
363.20297	1.5
451.25485	100.0
452.25836	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	451.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
65.10587	0.4
69.93896	1.7
78.95773	13.2
90.56392	0.4
98.20394	0.5
110.98412	9.2
127.39677	0.4
137.29149	0.4
152.99557	0.5
167.01047	11.6
168.22067	0.4
174.38568	0.5
185.02159	2.4
246.25160	0.4
255.23367	0.5
258.96271	0.4
283.26419	100.0
284.26758	10.1
302.04062	0.4
328.46017	0.4
451.28281	21.3
452.28552	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	451.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34090	0.4
53.16221	0.4
55.01758	4.0
57.03329	3.2
57.19784	0.4
58.00459	1.4
58.92193	0.3
59.01252	26.2
60.01572	0.4
60.66977	0.4
61.98682	1.4
65.99317	0.3
68.99679	0.5
69.03328	0.8
71.01252	38.3
71.51867	0.7
71.84716	0.4
72.01597	1.0
72.99179	3.7
73.02820	16.5
75.00751	1.1
77.98470	0.3
83.01254	8.7
83.04907	0.7
85.02824	22.2
85.99975	1.3
86.03163	0.6
87.00742	2.5
89.02317	5.5
95.01266	3.4
97.02816	1.1
97.85536	0.4
99.00767	6.0
99.30972	0.4
101.02322	35.3
102.02665	0.9
103.03886	3.7
111.00766	6.3
113.02332	15.4
114.00482	0.4
114.02705	0.5
117.03368	0.5
119.03381	1.7
119.04959	0.9
123.04417	0.4
125.02338	0.8
129.01813	1.1
134.03526	0.4
135.04424	0.7
137.02310	1.6
141.01813	0.9
141.12817	0.4
143.03406	1.5
145.02884	1.3
145.08681	0.5
159.02884	3.9
161.00911	0.8
161.02386	0.4
161.04474	9.2
161.05833	0.6
163.03940	0.7
179.03508	0.4
179.05493	0.4
185.15393	1.2
199.16960	0.4
205.03394	0.5
206.05312	0.4
213.07428	0.4
239.19945	0.5
287.22266	1.6
289.23853	7.4
290.24298	0.8
449.27353	1.1
451.29099	100.0
452.23242	0.9
452.29477	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	452.2782
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
59.01241	0.1
62.96284	0.3
64.30476	0.1
71.51341	0.2
71.51759	0.2
78.95779	33.7
96.96836	1.2
102.15573	0.1
114.46780	0.1
122.00089	0.6
135.31685	0.1
136.12694	0.1
140.01085	5.6
141.01472	0.2
152.99500	3.9
153.99852	0.2
166.02704	0.2
171.00581	3.2
196.03745	10.7
197.04091	0.3
214.04832	2.1
255.23279	100.0
256.23624	9.2
256.26404	0.3
329.86218	0.2
341.82013	0.1
378.24072	0.3
407.29654	0.4
452.27838	31.7
453.28207	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	453.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
77.15412	2.0
77.34941	2.2
78.64920	2.0
78.95775	100.0
79.98167	2.1
83.98632	2.0
110.98418	83.4
112.98650	2.6
119.04913	2.6
158.47200	2.2
404.16922	2.6
453.10086	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	453.1533
Annotation	7,8,3',4',5'-Pentamethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
Peak:m/z	Relative Intensity
57.03320	0.8
59.01252	12.9
60.30767	0.5
61.98698	0.8
64.26585	0.5
64.67651	0.5
69.03313	0.9
69.18450	4.9
71.01242	1.6
73.73534	0.5
78.95776	35.4
80.02542	1.6
81.03323	4.5
83.04893	5.9
84.02039	0.9
85.02811	0.9
89.02306	1.0
93.03346	1.7
95.04910	0.8
96.96842	2.9
97.02831	7.1
99.00764	0.9
101.02304	1.2
106.04163	0.6
107.04906	1.4
109.06473	47.1
110.03608	3.0
110.06800	2.3
113.02320	0.8
120.99534	3.0
121.06493	3.4
123.04424	0.7
125.09595	0.9
133.06473	0.8
135.04466	1.4
135.08066	5.3
136.05199	1.5
142.02606	3.1
145.02802	1.5
150.97942	0.7
152.99490	51.0
153.99838	0.8
161.02351	1.3
161.09590	2.4
163.09818	1.1
163.11205	22.6
164.11531	1.5
165.09129	1.0
171.00571	4.0
179.03360	1.3
179.10699	0.7
181.12277	9.6
189.09131	0.9
207.10201	71.3
208.10538	6.1
225.11266	57.6
226.11601	4.1
227.03250	6.6
245.04166	2.7
283.50916	0.5
361.10507	3.4
379.11545	0.8
384.44992	0.6
453.15277	100.0
454.15637	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	453.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00474	3.0
59.01252	100.0
61.98702	28.0
64.62706	2.9
71.01254	66.0
72.99184	7.1
73.02810	12.5
78.95760	2.6
83.01247	6.9
85.02829	14.6
85.03282	2.4
87.00765	5.7
89.02319	97.4
95.01247	3.9
98.19745	4.7
99.00750	11.1
101.02334	42.6
108.02074	2.9
113.02305	24.4
119.03396	21.6
125.02310	2.3
131.03415	18.2
137.02393	2.5
143.01353	2.2
143.03363	4.6
145.02780	5.8
147.04428	2.5
149.04463	40.5
150.04753	2.9
161.04434	12.0
163.03893	3.8
179.03278	2.7
179.05537	14.8
191.05492	8.3
205.05135	2.5
207.10167	2.9
249.72028	2.6
258.75949	2.4
261.13400	11.0
277.03455	5.0
279.14572	6.9
290.48959	2.4
291.13519	3.7
306.24460	2.5
393.17654	43.6
394.17859	2.9
411.18884	6.8
415.16232	5.0
453.14905	4.2
453.22919	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	453.226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69076	0.7
69.37238	5.3
76.05691	0.8
78.95776	40.3
83.87326	0.7
96.96822	3.0
111.18846	0.7
145.02827	2.0
150.97935	0.8
152.99493	55.4
153.99843	1.1
154.79553	0.8
170.99054	0.8
171.00546	16.3
203.07803	0.8
225.18558	70.7
226.18881	6.3
227.03185	4.2
245.04288	100.0
246.04677	3.6
453.22632	35.8
453.28812	1.3
453.33923	2.2
454.22861	5.0
479.68222	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37912	0.4
52.58565	0.5
52.67625	0.4
55.01757	6.0
57.03324	5.0
58.00459	1.5
59.01252	37.0
60.01590	0.5
61.98680	0.6
64.34486	0.5
69.03308	0.9
69.35678	3.8
71.01254	48.9
72.01565	0.8
72.99170	2.9
73.02818	27.6
75.00743	1.5
78.95808	0.9
83.01254	12.1
85.02821	28.5
85.99961	1.3
86.03165	0.9
87.00757	2.8
89.02322	12.1
93.03364	0.6
95.01268	4.0
97.02830	1.9
99.00758	14.0
101.02322	49.5
102.02649	1.1
109.06451	0.6
111.00755	3.7
112.01524	1.1
113.02329	21.0
119.03419	0.8
125.02325	1.8
129.01802	1.5
131.03392	2.0
141.01834	1.1
143.03378	2.0
145.02843	0.9
148.97232	0.5
152.99515	0.5
157.12286	1.0
159.02907	5.3
159.13866	1.1
161.04463	19.4
169.58116	0.6
202.37991	0.5
207.10164	1.4
225.11346	0.7
298.14896	0.5
321.19159	77.0
322.19574	7.8
340.42148	0.6
453.23383	100.0
454.23752	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	453.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	6.2
57.03314	4.1
58.00460	1.6
58.54026	0.6
59.01254	39.6
60.01611	0.8
61.98684	2.2
68.99686	0.8
69.03316	1.9
69.43393	3.1
69.43805	1.5
71.01255	57.3
72.01580	0.9
72.99171	2.5
73.02821	31.9
74.03159	1.0
75.00737	1.9
78.95760	6.4
83.01258	12.4
83.04865	0.9
85.02824	34.1
85.99970	1.8
86.03159	1.5
86.44304	0.7
87.00755	3.9
89.02319	13.1
95.01263	5.9
97.02848	3.3
99.00758	15.8
101.02325	56.7
102.02631	1.3
109.06480	7.9
111.00776	4.6
112.01557	1.4
113.02331	24.0
119.03301	1.0
125.02328	2.0
129.01831	2.0
131.03391	2.3
142.02570	1.1
143.03400	2.6
145.02792	1.1
149.82762	0.7
152.99484	8.0
157.12173	1.1
159.02901	5.1
159.13832	0.9
161.04463	21.7
163.11189	3.1
171.00601	1.0
175.73161	0.7
181.12216	1.4
205.03470	0.9
207.08369	0.9
207.10191	9.9
225.11269	8.4
226.11588	1.0
227.03262	0.7
229.14539	0.8
321.19165	82.2
322.19583	6.5
359.73206	0.7
453.15491	11.6
453.23376	100.0
454.16306	2.0
454.23703	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42562	1.9
57.19530	2.1
58.26727	2.3
60.24745	2.1
67.72720	2.0
69.03358	3.1
71.43388	2.4
71.43731	3.0
84.02041	14.8
95.04900	15.7
97.06450	12.4
102.66731	2.2
107.04908	36.5
109.06461	2.2
119.04907	6.6
119.44918	2.1
125.05980	65.0
134.14766	2.6
137.05965	9.8
150.65514	2.1
155.07021	13.2
163.03902	6.5
168.24158	2.6
173.08122	15.1
190.84061	2.8
199.06081	23.1
217.07137	13.6
227.42152	2.3
235.20674	8.0
253.21716	8.8
378.47351	3.0
428.45193	2.1
453.28424	48.0
453.33752	100.0
454.28781	8.1
454.34146	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	453.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.3
60.99167	0.5
68.17451	0.1
71.04893	0.5
78.95760	0.1
85.06474	0.2
86.91735	0.1
97.06467	3.5
98.20544	0.3
128.06726	0.1
135.23027	0.1
152.90401	0.1
191.57649	0.1
261.03751	0.1
355.26645	0.3
373.25302	0.2
374.26175	0.3
375.26819	0.4
377.28607	0.1
389.28568	1.0
390.29010	0.1
391.30072	6.4
392.30426	1.2
403.30225	0.3
405.31653	3.8
406.32117	0.9
407.33173	11.0
408.33578	1.9
423.28983	1.4
424.29080	0.3
425.34381	0.3
437.30545	1.2
438.30713	0.3
439.32224	1.3
440.32745	0.3
441.33810	0.3
451.32477	0.6
453.33752	100.0
454.34076	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	453.3373
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
53.93919	0.3
68.02617	0.3
80.59068	0.3
81.29742	0.3
82.79796	0.3
96.46998	0.3
97.06448	0.4
114.42159	0.3
140.72897	0.3
225.74402	0.4
279.23257	0.5
302.47333	0.3
407.33099	1.0
424.91559	0.3
453.33746	100.0
454.34079	19.0
454.40619	0.5
473.05731	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.5
57.03319	0.7
58.00458	1.2
59.01250	17.7
61.98703	100.0
68.99696	0.4
69.03317	0.6
71.01250	11.5
71.51787	0.7
72.99198	2.2
74.38545	0.5
78.95775	1.7
83.01255	1.4
83.04891	0.5
85.02827	2.5
89.02319	14.5
93.03374	0.6
95.01270	0.8
97.02834	4.3
99.00753	0.7
101.02324	8.5
111.00779	0.6
113.02335	6.5
119.03369	5.8
119.04893	1.2
125.02362	0.5
129.05530	0.6
131.03421	0.7
134.03627	0.9
135.04453	0.5
137.02336	1.1
141.01843	1.3
143.03413	0.8
145.02896	2.7
149.04518	0.8
149.06042	0.5
149.09608	0.7
152.99495	1.6
161.02383	0.6
161.04453	1.3
161.05936	0.4
161.09627	1.1
163.03957	1.2
163.11215	3.2
173.62556	0.5
175.11263	1.2
177.12770	3.1
178.41031	0.5
179.03384	0.5
179.05544	2.7
187.11214	10.8
189.09082	0.6
190.09869	0.9
190.37770	0.5
193.04996	1.5
199.13318	0.7
203.10759	1.6
205.12280	81.1
206.12630	5.4
207.10223	0.8
209.11787	5.6
219.13782	0.7
221.11760	1.1
227.12863	3.0
231.10220	26.9
232.10551	2.0
247.13182	0.7
249.11304	24.9
250.11624	1.4
275.09277	2.3
291.12415	2.1
293.10376	4.7
294.10812	0.6
309.11923	3.8
411.16510	1.9
455.15591	33.1
455.35281	1.9
456.15686	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	455.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69558	1.1
55.09959	1.1
59.01234	2.4
69.37006	7.5
69.55684	1.0
78.95779	30.3
80.02546	2.7
81.03339	1.8
81.59838	1.0
83.04887	9.1
84.02053	3.1
87.05086	1.1
87.26315	1.1
95.46546	0.9
96.65829	1.0
96.96861	1.7
146.18304	1.0
152.99486	44.6
153.99913	1.2
163.11201	7.5
165.12775	3.1
171.00575	4.7
191.10768	1.8
209.11771	100.0
210.12114	5.9
227.03242	3.2
227.12851	15.3
228.13237	1.7
234.44202	1.1
236.44803	1.0
245.04312	2.2
331.13071	1.1
342.54730	1.1
363.11847	1.8
436.84708	1.1
455.16849	92.7
456.17117	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01208	1.1
63.53434	0.4
71.51420	0.4
78.95779	7.6
81.53484	0.4
96.96828	0.5
127.04008	0.4
134.44009	0.5
139.11177	1.0
152.99486	14.1
171.00551	1.1
181.12260	1.0
209.11792	1.0
227.03191	2.7
227.20125	100.0
228.20448	8.9
245.04352	0.9
257.82883	0.4
351.15182	0.5
363.25848	0.5
411.32687	0.7
455.24472	25.6
455.30865	5.3
455.36603	13.2
456.24533	3.1
456.30899	0.8
456.36374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	1.6
55.29200	0.5
57.03318	1.5
58.00467	3.4
59.01251	65.5
60.01585	0.8
71.01254	36.3
71.04877	0.5
71.09337	0.8
71.09669	0.8
72.01573	0.7
72.99184	3.2
73.02804	1.9
83.01257	2.3
85.02823	9.7
87.00739	1.4
89.02319	36.4
95.01264	3.1
101.02322	20.3
111.08099	0.7
113.02333	13.9
119.02586	1.1
119.03397	16.6
124.06284	0.5
131.03418	1.0
131.08101	0.9
143.03374	1.1
149.04495	0.9
157.94139	0.5
161.04425	2.0
179.05493	2.7
179.14284	0.9
223.13307	0.8
275.20151	14.9
276.20529	1.2
277.21716	1.3
293.21219	20.3
294.21567	1.9
371.26154	0.7
455.26489	100.0
456.26828	16.4
456.33170	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2649
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
55.01762	1.3
56.52136	0.5
57.03325	0.8
58.00449	1.2
59.01252	32.3
71.00851	0.8
71.01253	16.5
71.27660	0.7
72.99166	1.5
73.02805	1.0
79.82318	0.5
83.01269	1.9
85.02822	4.7
89.02315	14.5
95.01260	1.7
101.02322	8.4
111.26756	0.6
112.63643	0.5
113.02322	5.8
114.02715	0.6
119.03394	4.9
140.44604	0.5
179.14308	0.5
205.15938	0.8
217.20663	0.5
220.86217	0.6
223.13474	1.0
275.20203	4.2
276.20560	0.7
293.21216	18.1
294.21661	2.2
303.45721	0.6
324.63361	0.5
329.77914	0.5
455.26501	100.0
456.26791	15.7
464.23026	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2653
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
51.03202	0.2
51.12486	0.2
52.37336	0.2
55.01757	0.9
57.03329	1.4
58.00473	1.5
59.01255	39.6
60.01590	0.5
70.94042	0.3
71.01257	22.6
72.01604	0.3
72.99184	1.7
73.02822	1.7
75.00740	0.3
83.01251	1.5
85.02826	6.8
87.00761	0.7
89.02323	16.6
90.02662	0.3
91.33937	0.3
95.01263	1.6
95.04866	0.3
99.00774	0.9
101.02332	11.5
111.08041	0.7
113.02337	7.7
113.09637	0.3
114.02738	0.4
119.03395	5.9
129.01797	0.4
130.42804	0.2
131.03375	0.5
161.04539	0.4
179.05540	0.4
179.14359	0.8
181.12274	0.3
189.30600	0.2
195.13840	0.5
205.16002	0.7
223.13347	2.0
231.21190	0.3
268.76016	0.2
275.20157	5.2
276.20511	0.6
277.21832	1.2
293.21237	24.1
294.21588	3.2
384.77625	0.2
431.57385	0.2
437.25171	0.4
437.30841	0.3
455.26508	100.0
456.26837	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	455.265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.0
59.01258	3.9
61.98699	0.5
69.08159	0.5
69.36816	4.3
71.01254	2.9
71.04884	4.5
78.95747	0.8
83.04868	1.3
85.02772	1.9
89.02258	0.9
97.06429	1.6
98.20631	0.7
101.02287	1.2
111.08019	0.7
113.02299	2.6
121.06415	0.9
123.08006	1.7
137.09575	1.8
163.83124	0.5
171.10109	0.9
179.14107	0.5
195.13846	5.2
205.12234	0.9
205.21973	0.6
223.13307	3.3
256.13089	1.2
260.47037	0.6
267.22113	0.5
271.16922	0.9
275.20065	3.2
287.20053	2.0
289.18054	5.0
293.21222	69.3
294.21530	7.9
305.21179	1.6
317.20886	1.4
353.24756	1.0
355.22491	0.7
371.25818	4.8
383.25574	1.4
395.29385	1.7
401.26544	1.1
421.27634	1.0
425.26712	1.5
437.30579	11.4
438.30728	2.1
439.28400	1.1
455.31418	100.0
456.25473	0.9
456.31778	16.9
456.41241	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71765	0.2
59.01242	0.5
69.32085	0.6
69.32494	1.6
73.97514	0.2
77.18436	0.2
84.47801	0.2
95.74455	0.2
97.53461	0.2
98.70538	0.2
103.33731	0.2
151.37753	0.3
177.41240	0.3
382.89377	0.3
383.29568	0.6
393.31506	0.4
411.32706	0.9
444.65652	0.3
455.35327	100.0
456.35678	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	455.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85613	0.2
69.13770	0.2
69.38049	0.3
69.38459	1.1
80.18279	0.2
89.72177	0.2
98.19787	0.2
125.74384	0.2
128.39577	0.2
165.42641	0.2
198.35484	0.2
269.20871	0.2
387.85229	0.2
455.35294	100.0
456.35641	18.6
456.42502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88725	0.2
59.01259	0.3
62.63153	0.2
70.25379	0.8
110.29157	0.2
228.36172	0.2
455.35297	100.0
456.35660	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	455.353
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
50.57189	0.2
70.38258	0.7
168.41104	0.2
185.08871	0.2
413.53302	0.3
455.35303	100.0
456.35645	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	455.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31080	0.2
69.52139	1.4
69.52551	0.5
98.51058	0.2
128.36192	0.3
218.40085	0.3
222.54280	0.2
407.33093	0.9
455.35272	100.0
456.35620	21.2
465.74835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99603	0.3
70.12089	1.0
90.71839	0.3
120.03181	0.3
254.37326	0.3
283.95386	0.3
309.22949	0.3
407.33163	0.4
436.18256	0.3
455.35272	100.0
456.35629	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	456.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	6.4
61.98699	100.0
69.29888	4.1
69.30309	4.9
71.01241	3.5
72.99204	1.4
73.02813	1.3
89.02329	2.3
95.01158	1.1
131.11147	1.2
136.47256	1.1
143.09590	1.1
145.02724	1.3
149.20395	1.2
160.03877	1.2
161.12802	1.3
179.03465	1.7
206.12584	2.8
209.11766	2.9
252.70717	1.2
270.84415	1.1
285.03983	3.4
309.11743	1.7
310.12180	2.1
334.16232	1.3
436.44016	1.3
456.15656	2.4
457.17065	1.8
465.97696	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49115	0.3
59.01251	1.8
59.18854	0.3
61.98703	0.4
70.27651	0.8
71.01253	1.4
73.02806	0.3
73.78233	0.3
76.36244	0.3
83.01241	0.5
85.02820	0.5
89.02324	1.7
93.03329	0.8
99.00763	0.5
99.04356	0.3
101.02335	1.0
104.83739	0.3
106.12403	0.3
112.56741	0.3
113.02339	0.6
119.04913	100.0
120.05244	4.7
125.02323	0.5
131.03427	0.5
137.02310	0.3
159.57455	0.3
163.03914	70.9
164.04260	4.3
193.87469	0.3
233.06618	0.4
276.60291	0.3
293.08728	1.3
410.21423	0.4
417.04578	0.3
457.13452	25.0
458.13684	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	457.1508
Annotation	Kadangustin B
Peak:m/z	Relative Intensity
57.03325	0.4
59.01252	31.4
61.98703	0.9
68.99693	1.5
69.54243	1.5
71.01256	6.0
71.04881	0.9
72.01609	0.3
72.99188	0.4
73.02828	2.1
83.01265	1.1
85.02834	2.2
85.99946	0.3
87.00767	0.4
89.02325	2.9
93.03333	0.7
95.01260	0.3
95.08742	0.3
97.02821	0.4
99.00768	0.8
100.40044	0.3
101.02323	3.9
109.06439	0.3
111.00724	0.4
113.02348	2.4
115.05434	0.5
117.03350	29.3
118.03680	1.2
119.03401	1.2
119.04915	11.7
120.05282	0.4
121.02869	0.8
123.04446	0.4
125.02390	0.6
133.02882	0.6
135.04416	1.7
143.04932	11.7
144.05301	0.6
145.02858	100.0
146.03195	5.0
147.04460	0.3
151.03905	0.4
157.06512	0.6
159.02954	0.4
159.04343	0.5
161.02361	0.9
161.04478	2.0
161.06007	1.6
163.03931	8.4
164.04356	0.3
179.03436	1.2
187.03934	20.2
188.04314	1.1
192.67725	0.3
203.28792	0.3
205.04993	1.1
235.13411	0.9
269.10303	1.2
269.36234	0.3
311.09619	1.0
397.12943	7.7
397.22290	0.6
398.13437	1.1
415.14059	4.4
415.23251	0.5
416.14468	0.6
457.15070	32.0
457.33127	3.7
458.15381	4.6
458.33865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81689	0.9
54.82875	0.9
55.01756	2.1
57.03326	1.1
58.00454	3.9
59.01252	74.8
59.13597	1.0
63.98612	1.0
70.37097	1.1
70.37450	3.1
71.01255	41.3
72.50227	0.9
72.99180	4.7
73.02817	1.5
83.01251	4.6
85.02829	8.8
87.00741	1.8
89.02319	42.8
95.01250	2.7
101.02324	25.6
108.02033	1.3
109.02845	1.8
111.04395	2.0
113.02337	13.7
119.03394	17.4
119.04868	5.8
121.06459	3.2
123.04424	1.1
123.08051	6.3
134.66779	1.1
136.21617	0.9
143.03299	1.2
152.01060	4.0
161.04480	1.7
163.03937	3.2
167.03398	5.1
171.11714	5.0
179.05458	3.0
189.12766	10.3
190.71631	0.9
206.39514	1.0
215.10788	2.2
233.11790	4.3
263.24005	1.1
277.10825	10.6
289.05884	1.0
457.17178	100.0
458.17569	15.9
482.84055	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84194	0.6
55.01756	1.6
56.28869	0.7
56.76345	0.6
57.03310	1.2
58.00467	4.5
59.01250	100.0
61.98672	0.7
67.01759	0.6
69.03329	6.6
69.31889	6.2
71.01253	74.9
72.01598	1.1
72.99174	2.8
73.02824	11.6
75.00749	3.4
78.95795	0.8
81.03317	3.9
83.01263	4.9
85.02821	9.6
86.03091	0.7
87.00751	2.4
89.02316	98.8
90.02663	1.4
95.01270	3.1
97.02829	10.9
98.19794	1.6
99.00756	15.4
99.04378	2.6
101.02322	16.2
111.00743	2.8
113.02338	9.1
115.03897	8.0
117.01797	0.8
119.03371	2.0
125.02331	43.5
126.02596	1.2
127.03860	1.1
131.03389	9.1
135.04437	0.8
143.03407	4.0
147.04381	1.5
148.05202	57.2
149.04471	10.8
149.05554	2.2
152.99387	0.8
161.04413	3.0
161.05760	0.8
163.03879	1.7
163.06274	1.1
163.07552	14.3
164.07831	0.8
175.06107	1.1
191.05547	7.8
197.11670	2.5
219.62985	0.7
229.14203	0.8
233.06642	31.0
234.06818	1.7
244.19044	0.7
293.08780	23.2
294.08911	2.0
294.90143	0.8
397.22055	1.0
457.17963	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41724	0.3
99.92455	5.4
100.92667	0.4
100.93246	2.1
115.91963	100.0
116.91967	5.6
116.92752	5.8
132.92239	1.1
155.95178	0.3
162.11929	0.3
172.95374	4.6
236.47630	0.3
283.26608	0.6
327.65057	0.3
335.02069	0.3
383.19098	0.6
409.20560	0.8
457.22620	2.9
458.23114	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.6
58.00465	0.5
59.01249	100.0
60.01589	1.2
67.46564	0.2
69.03351	0.5
71.01254	15.1
72.01617	0.4
72.99188	0.8
73.02821	7.5
83.01261	2.6
85.02814	3.5
87.00753	0.7
89.02315	7.3
95.01273	1.7
96.95903	0.3
97.02910	0.4
99.00784	0.7
101.02322	9.6
113.02329	10.9
114.02707	0.5
119.03386	2.1
119.04890	0.4
125.02325	0.5
131.03412	0.6
134.03670	0.3
139.59462	0.3
143.03445	1.0
145.02881	0.4
149.04491	0.7
160.01424	0.3
161.04462	2.4
175.03894	0.4
179.03409	0.3
179.05563	0.7
197.44862	0.3
210.44084	0.3
229.32938	0.3
239.13014	0.3
334.11707	0.6
335.12628	0.6
397.22198	2.2
415.23615	1.1
457.29669	0.6
469.08047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.7
57.01832	0.3
57.03315	0.7
58.00468	0.8
59.01250	100.0
60.01581	1.5
65.18022	0.3
69.03318	0.5
71.01253	19.6
71.04903	1.0
71.52028	0.5
71.52444	0.4
72.99187	1.1
73.02817	6.2
73.03190	0.4
75.00769	0.4
78.04617	0.3
80.91560	1.6
83.01260	2.3
85.02823	7.2
87.00758	0.8
89.02321	11.4
95.01266	1.6
96.95876	0.4
97.02834	0.5
99.00792	1.2
101.02321	11.3
102.02698	0.4
113.02328	17.1
114.02697	0.6
119.03397	4.2
131.03464	0.9
135.04475	0.6
143.03423	1.5
145.02869	1.1
149.04474	0.9
161.02347	0.6
161.04454	3.6
179.03510	0.4
179.05588	1.6
184.59660	0.3
197.04640	0.3
211.13490	0.4
253.18304	0.4
325.16617	0.4
391.30457	0.5
397.22314	5.6
398.22784	0.5
415.23273	4.1
421.20874	1.6
423.29156	0.5
425.30734	0.3
457.19559	0.4
457.33582	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77639	0.4
55.01733	0.4
57.03319	0.4
58.00466	0.5
59.01251	100.0
60.01588	1.1
61.98672	0.4
65.34969	0.4
69.03359	0.6
69.21326	1.1
69.21735	2.8
71.01253	16.7
72.99194	0.9
73.02819	9.9
73.68432	0.4
75.00771	0.5
76.07423	0.4
83.01257	2.6
85.02820	4.0
87.00788	1.0
89.02319	13.6
95.01284	1.1
99.00717	0.6
101.02325	11.3
111.00816	0.6
113.02341	9.0
113.68552	0.4
117.03379	1.4
119.03403	4.6
119.04922	0.8
131.03416	1.2
135.04434	1.1
143.03450	1.0
145.02853	7.4
146.03119	0.7
149.04446	0.9
161.04424	2.8
163.03972	0.6
179.05585	1.1
183.93318	0.5
211.13388	0.5
307.08151	0.6
397.22726	0.7
421.20972	0.4
461.17053	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96176	0.4
55.01743	0.6
55.43840	0.4
57.03320	0.7
58.00467	1.0
59.01250	100.0
60.01592	1.5
61.98720	1.0
63.29432	0.3
68.03670	0.4
71.01253	21.6
71.04922	0.4
72.01590	0.4
72.99198	1.7
73.02817	9.8
75.00774	0.8
83.01260	3.6
83.04791	0.4
85.02820	4.4
87.00764	1.1
89.02316	14.8
90.02639	0.6
94.41967	0.4
95.01255	1.2
96.95911	0.8
97.02888	0.4
99.00776	0.7
101.02322	14.2
113.02322	10.4
119.03391	5.4
119.04942	0.6
125.02338	1.0
130.93871	0.5
131.03421	1.4
135.04439	1.0
135.08037	0.4
135.37868	0.4
143.03436	1.2
145.02899	1.6
149.04527	1.0
152.99519	0.5
161.02412	0.7
161.04472	2.8
163.03929	0.6
179.03464	0.8
179.05550	1.2
192.52617	0.5
211.13377	1.4
221.11722	0.5
227.85963	0.4
353.35156	0.5
388.22244	0.4
390.84100	0.5
397.22495	0.8
415.23550	1.0
439.17706	0.7
457.20270	0.9
457.33621	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.4
57.03324	0.8
58.00459	0.4
59.01251	100.0
59.76717	0.3
60.01592	1.1
70.08674	0.3
71.01254	9.5
71.04902	0.8
71.52254	0.5
72.99198	0.5
73.02818	2.9
83.01267	1.1
83.04924	0.4
85.02822	3.6
87.00736	0.4
89.02316	4.8
95.01256	1.1
97.02862	0.5
99.00771	0.7
101.02316	4.7
113.02328	6.8
116.54557	0.3
119.03377	1.8
125.02365	0.4
131.03464	0.3
135.04417	0.4
143.03448	1.0
145.02879	0.6
149.04509	0.3
159.02956	0.3
161.02377	0.5
161.04494	1.7
163.03882	0.4
164.73589	0.3
179.05452	0.5
214.43980	0.3
253.18120	0.4
397.22272	2.2
398.22482	0.4
415.23380	4.4
416.24030	0.4
437.30484	0.5
457.33243	11.7
458.33615	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01764	0.3
50.46154	0.3
55.01742	0.3
57.03314	0.3
58.00484	0.4
59.01250	100.0
60.01591	1.4
61.34391	0.4
61.98708	0.6
69.58688	2.0
69.73826	0.3
71.01256	5.9
71.04898	0.3
72.71652	0.3
72.99205	0.8
73.02837	1.2
83.01267	0.7
85.02814	1.7
87.00778	0.6
87.03512	0.4
89.02319	5.9
98.20607	0.4
99.00780	0.5
101.02303	4.4
102.54385	0.3
104.08900	0.3
113.02326	3.3
119.03397	3.3
131.03432	0.5
134.41701	0.3
135.04390	0.7
143.03424	1.0
149.04466	0.4
153.05412	0.6
161.04483	1.5
163.03993	0.5
166.43085	0.4
179.03517	0.4
179.05609	0.9
206.76064	0.4
397.22266	6.1
397.26819	0.4
398.22870	1.2
450.55798	0.4
457.33365	2.5
458.33990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.6
57.03330	1.2
58.00447	1.8
59.01253	45.9
60.01586	0.6
61.98703	0.9
64.13442	0.5
69.20530	5.0
71.01257	24.2
71.04859	0.7
72.99173	2.4
73.02807	2.4
78.95777	1.1
83.01255	2.3
85.02831	7.0
87.00746	1.4
89.02317	20.6
95.01271	2.5
97.02888	0.6
97.06500	0.5
98.20630	0.7
99.00768	1.1
101.02331	14.6
109.06465	1.1
110.98463	0.6
111.08014	1.0
113.01620	1.0
113.02348	9.7
113.97234	0.5
119.03408	5.5
120.26493	0.5
150.23151	0.5
179.03438	0.5
179.05577	0.7
185.02089	1.2
197.59000	0.6
225.14897	1.9
237.18636	0.9
277.21704	9.7
278.22150	1.5
289.18063	11.5
290.18356	1.1
295.22775	5.0
341.10684	1.0
413.30841	0.7
439.26749	1.0
457.28040	100.0
457.33109	4.5
458.28363	16.3
458.34454	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3341
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
50.48274	0.2
58.63231	0.3
59.01255	2.4
66.78623	0.3
70.72250	0.7
70.72627	0.5
71.01255	1.2
71.04887	8.1
73.02814	0.9
78.95786	0.3
85.02864	0.3
85.66867	0.2
87.71678	0.3
89.02290	0.5
92.39850	0.2
97.06477	0.7
101.02321	0.5
109.06467	3.7
110.10666	0.2
110.61710	0.4
113.02288	0.6
121.06475	0.3
133.06461	0.3
134.07278	0.3
142.63664	0.3
205.15836	0.7
235.16972	0.3
255.96204	0.3
317.18976	0.4
323.19971	0.5
325.21902	0.6
339.23273	0.7
341.21204	2.3
353.21237	1.3
355.22839	1.0
355.26556	0.5
357.24377	3.4
358.24573	0.3
361.27493	0.3
367.22125	0.3
369.24313	0.6
371.25699	0.4
373.27484	8.9
374.27875	1.8
385.27466	9.6
386.27737	1.7
391.30231	0.4
401.23172	0.7
413.30768	0.4
425.26559	1.4
429.26508	0.3
437.30466	0.5
439.32501	1.7
440.32605	0.3
441.30051	2.3
442.30136	0.3
457.28329	3.6
457.33246	100.0
458.33585	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	457.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00466	0.6
59.01252	7.4
70.89902	0.4
71.01252	0.6
71.04893	6.4
72.99181	0.2
73.02846	0.3
83.04892	0.4
85.87380	0.2
97.06472	0.9
101.02303	0.4
109.06478	9.2
110.06818	0.5
113.02333	0.3
117.67755	0.2
123.07983	0.2
135.04382	0.2
137.09633	0.5
154.90154	0.2
161.02452	0.3
161.04443	0.2
173.09634	0.4
175.11278	0.2
184.49443	0.2
199.53796	0.2
231.13785	0.2
256.14700	0.3
257.15503	1.0
323.20209	0.5
325.21832	0.3
337.21628	0.8
339.23303	3.5
340.23663	0.5
341.21091	0.5
349.21759	0.7
351.23325	0.3
353.21078	0.2
355.22751	1.3
355.26550	0.3
357.24338	7.9
358.24615	1.1
367.22781	0.8
369.24313	0.6
371.26071	0.3
373.27429	2.7
374.27811	0.5
385.27502	1.8
386.27768	0.3
393.27844	0.3
395.29642	0.2
401.23563	1.2
405.27856	0.3
409.27332	0.3
413.30621	0.2
421.26682	1.0
423.29129	6.8
424.29407	0.6
425.26917	0.4
439.27356	0.4
439.33127	2.0
440.32684	0.3
441.30127	5.6
442.30573	1.2
444.33673	0.2
457.33228	100.0
458.33572	20.2
466.82193	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3323
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
55.01760	0.7
57.03328	1.0
58.00470	0.6
59.01251	2.5
60.99191	0.6
61.98698	1.6
68.77304	0.4
71.01223	0.4
71.04891	10.3
71.51173	0.5
79.89397	0.4
83.04900	0.6
85.06454	0.5
88.72108	0.4
95.04907	0.8
97.06458	2.5
110.22359	0.4
111.08049	1.3
113.02338	0.5
119.67236	0.4
121.06487	2.6
123.08037	4.0
133.06508	0.9
135.02791	0.5
135.08073	1.5
137.09639	1.2
171.57619	0.4
189.12752	4.4
191.14345	7.3
192.14665	0.5
211.20576	0.6
237.67627	0.4
243.14882	0.4
247.17073	0.4
265.18054	0.8
271.16980	0.6
273.18628	7.6
274.19110	0.7
279.11661	0.4
287.19931	0.5
289.18445	1.1
289.21719	11.2
290.22067	1.7
331.26230	0.5
339.23538	0.5
355.26465	1.9
356.27014	0.7
357.07306	0.6
357.63071	0.5
359.67151	0.4
367.26492	1.2
373.27527	4.6
374.27780	0.7
385.27487	1.7
391.26498	0.6
393.31839	0.6
395.33432	0.7
405.27853	0.7
411.29025	0.6
413.34375	9.3
414.34460	2.0
421.31140	6.9
421.95624	0.4
422.31519	1.0
437.30469	1.5
439.32144	25.7
440.32523	3.9
457.33252	100.0
458.33603	20.3
467.31720	0.6
483.31033	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	14.0
59.01257	11.4
69.25639	2.2
69.65189	8.5
71.01257	11.6
72.99201	3.4
73.02824	3.1
73.33197	2.1
73.38017	2.2
78.73394	1.9
81.99830	2.6
83.01250	3.1
85.02821	8.5
89.02333	5.1
93.03386	2.8
95.01271	4.4
95.04903	2.4
96.19157	2.2
99.00726	2.7
99.04385	2.5
101.02348	9.5
108.02055	100.0
109.02859	48.2
109.05226	2.3
111.00778	2.6
113.02334	7.0
115.15279	2.3
119.04909	5.6
121.02827	3.0
121.13081	2.6
123.00800	5.7
123.04452	6.7
135.04434	3.8
145.02884	6.2
151.03925	7.1
152.01051	90.8
153.01852	27.0
161.02351	6.9
161.04527	3.1
163.03911	6.4
196.51326	2.5
199.92908	2.3
242.90807	2.4
298.37363	2.1
315.07220	53.6
315.10641	4.1
316.07626	6.1
357.08267	62.6
358.08661	5.7
397.11407	23.7
398.11908	2.4
459.11053	66.4
460.11667	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	459.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89351	1.5
59.01237	3.7
70.65282	3.1
71.01260	4.1
73.02820	48.0
73.50119	1.4
75.93380	1.7
78.63049	1.6
78.95780	4.2
88.25363	1.5
89.02293	2.1
90.77466	1.4
96.95897	2.2
96.96827	4.5
99.00757	6.0
101.02337	1.8
108.02060	6.2
109.02854	2.9
113.02280	1.8
116.92732	2.8
117.01820	100.0
118.02165	1.8
118.04978	1.6
148.88632	1.3
151.03877	3.0
152.01041	6.5
153.01787	2.8
283.80444	1.5
315.07254	2.5
357.08005	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	22.2
67.76752	1.1
71.01254	13.7
71.51443	1.1
71.51897	1.2
72.99192	1.9
73.02808	2.3
75.00745	3.0
78.47159	1.1
83.01228	2.2
85.02829	4.5
87.00772	1.7
89.02310	10.3
93.21273	1.1
95.01256	1.3
99.00751	2.5
101.02313	7.3
106.82153	1.0
113.02329	4.8
117.03378	2.5
119.03397	3.3
121.04963	4.4
123.04450	1.2
131.03366	1.6
132.02063	20.8
133.02859	2.6
134.03632	37.1
135.04256	1.5
137.02344	1.9
139.03909	1.3
149.05968	5.2
160.01573	94.8
161.02141	5.4
161.04453	1.4
165.05415	1.5
170.90523	1.2
175.03928	100.0
176.04323	5.5
179.03456	2.8
191.07140	1.5
193.05000	48.3
194.05330	3.4
235.06126	4.6
303.41772	1.2
337.09470	1.4
424.99133	1.0
459.15121	79.4
460.15359	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	459.151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73951	0.8
59.01251	10.1
61.98679	1.4
65.68049	0.8
69.57864	5.0
71.01249	7.2
73.02821	1.9
80.04922	1.2
81.05721	0.8
83.01260	1.6
85.02831	1.9
87.00723	1.3
89.02323	7.6
101.02325	4.8
113.02319	3.2
117.03348	20.3
119.03374	2.2
119.04916	20.5
123.04469	1.7
124.03934	1.9
128.03474	0.9
133.06496	1.6
136.01514	1.0
145.02858	100.0
146.03175	4.9
151.03923	2.1
151.06071	2.0
153.05472	1.8
161.02379	2.2
161.04788	1.0
161.06001	6.3
163.03925	37.6
164.04245	1.2
168.02925	2.1
177.05461	2.6
205.05028	8.0
235.06012	3.9
249.07924	1.0
265.07159	6.1
405.89111	1.0
441.13925	1.0
457.41803	1.0
459.15082	63.6
460.10156	1.3
460.15610	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	459.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	5.7
57.03323	4.1
58.00439	0.8
59.00955	1.4
59.01250	25.0
71.01254	25.0
72.01582	0.6
72.99193	1.9
73.02393	0.7
73.02819	30.2
83.01257	100.0
84.01591	2.1
85.02823	9.4
87.00745	3.6
87.04408	1.2
89.02316	12.6
95.01263	1.9
99.00760	18.8
100.01144	0.6
101.02325	93.2
102.02639	2.0
111.00723	1.0
113.02335	9.1
119.03408	5.1
125.02252	0.7
127.00266	55.9
128.00604	2.5
136.98907	0.7
137.22699	0.6
143.03375	1.2
145.02890	0.8
158.69711	0.6
159.02896	0.7
161.04443	4.3
172.41357	0.8
179.05544	1.1
195.80917	0.6
197.61665	0.7
230.20792	0.8
255.02849	1.6
269.45905	0.7
283.02448	1.0
331.17697	2.0
378.06708	0.7
407.57516	0.7
459.18716	89.1
460.19080	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1872
Annotation	Apiosylepirhododendrin
Peak:m/z	Relative Intensity
55.01759	2.5
55.67057	0.7
57.03324	5.3
58.00457	2.0
59.01248	52.2
60.31300	0.7
61.98715	1.0
68.99706	1.0
69.03316	3.2
70.60878	0.7
71.01250	36.5
71.59353	0.6
72.01553	1.1
72.99176	21.7
73.02824	4.7
75.00757	1.7
81.83932	0.7
83.01262	5.2
83.04864	0.8
85.02822	26.4
87.00743	2.5
89.02314	21.1
93.03348	0.8
95.01251	7.4
97.02824	4.2
99.00764	3.7
99.04415	1.3
101.02332	12.0
109.02822	1.4
111.00804	1.0
111.04393	1.4
112.01556	1.7
113.02328	44.8
114.02648	0.9
119.03387	4.2
119.54427	0.7
121.10111	7.2
123.04423	3.5
123.12508	0.7
123.42686	0.8
124.01573	0.6
125.02313	3.3
127.03881	0.8
129.01793	1.0
131.03401	1.7
133.02863	1.0
134.03641	4.5
135.04408	1.1
136.01497	1.5
137.02341	1.2
143.03412	3.0
145.02829	2.6
149.04495	1.3
150.03134	1.7
151.00314	0.7
151.03922	8.8
161.02385	1.3
161.04453	11.1
165.09119	100.0
166.09496	5.7
179.10733	0.7
179.66985	0.7
179.68518	0.7
183.10170	5.2
207.10188	13.1
208.10555	1.5
215.05574	1.8
222.85732	0.7
225.11340	1.2
237.11276	11.0
238.11639	1.1
255.02945	1.3
289.52972	0.7
293.51593	0.7
297.13583	4.4
307.08212	1.1
327.14508	1.7
339.14410	3.4
341.10117	0.7
345.15451	6.3
399.23999	0.9
459.18683	28.0
460.19312	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91776	0.8
55.01753	3.6
57.03316	4.8
59.01251	48.7
60.01601	0.8
69.03325	4.6
70.91193	2.0
71.01252	38.3
72.99181	25.9
73.02826	5.4
81.03323	1.1
81.68573	0.8
83.01254	5.1
85.02822	28.3
87.00759	1.6
89.02312	21.9
89.02837	1.5
95.01266	8.6
97.02846	4.0
97.03951	1.0
99.00771	6.9
99.12780	0.8
101.02319	15.8
109.02815	1.7
111.00767	1.7
111.04379	1.6
112.01577	2.1
113.02334	58.4
114.11202	0.9
116.79176	0.9
117.03349	1.1
119.03387	5.2
119.04907	1.0
121.02844	0.9
121.10101	8.0
121.10790	0.9
123.04395	6.3
124.01550	0.8
125.02344	3.8
127.03915	1.2
131.03435	1.6
134.03668	6.2
135.04442	3.3
136.01561	2.3
137.02327	1.4
143.03343	2.1
145.02861	3.6
150.03149	3.6
151.03909	15.2
161.02359	2.9
161.04443	11.6
163.11218	1.2
165.09122	100.0
166.09424	5.2
179.03416	2.5
183.10237	5.9
198.30174	1.0
207.10185	11.2
208.10608	1.5
215.05568	1.9
237.11272	11.5
255.02945	2.9
283.02594	2.1
297.13440	6.0
307.08185	1.6
327.14539	1.7
339.14359	1.6
345.15601	5.0
399.23853	1.0
415.19556	1.1
425.36295	1.0
454.93625	1.0
459.18799	29.5
460.19150	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	459.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	1.2
59.01260	4.6
60.30542	0.3
62.68371	0.3
71.01225	0.4
71.04890	3.0
78.95780	11.3
95.04874	0.9
97.06448	0.9
98.19765	0.8
104.97303	0.4
110.97675	0.4
110.98425	9.0
111.08052	10.6
113.09562	0.6
121.06522	0.5
123.07980	0.5
137.09575	1.1
149.09650	0.9
151.03876	0.7
152.99469	0.7
167.01086	5.7
167.10687	2.1
168.11005	0.5
177.12773	1.8
179.10754	1.9
185.02142	6.0
191.14030	0.4
195.13837	6.8
196.14197	0.5
202.27417	0.4
207.13812	0.5
219.13821	0.4
223.76604	0.4
229.59457	0.5
235.17107	0.6
247.20638	1.9
251.78844	0.4
255.03081	0.5
273.18570	1.4
291.19669	100.0
292.20029	10.6
396.82245	0.5
459.15103	0.6
459.21625	13.5
459.30829	2.2
460.21982	1.5
460.31427	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53580	0.2
52.47755	0.3
53.03312	0.3
55.01755	0.5
55.16012	0.2
57.03320	1.1
59.01250	26.4
60.01591	0.3
61.98700	1.4
69.03334	2.2
69.51742	1.4
69.52144	0.6
71.01252	6.8
71.01620	0.5
71.04886	0.9
72.99212	0.3
73.02831	1.4
81.03349	0.3
83.01257	0.8
83.04896	0.8
85.02809	1.9
85.06464	0.4
87.00761	0.9
89.02313	6.4
93.03343	0.3
95.04904	0.5
97.06460	0.4
98.20528	0.5
99.00754	0.4
101.02324	6.4
102.65308	0.2
109.06472	0.6
113.02334	3.1
119.03374	2.2
125.09608	0.4
134.37061	0.3
135.11659	0.6
141.09099	0.4
149.09627	1.1
151.11215	0.3
161.04459	2.3
161.13303	0.6
167.10686	3.5
177.12801	0.6
179.03661	0.3
179.05510	1.3
179.10722	1.5
179.14339	3.9
195.13855	10.7
196.14142	0.7
205.12276	10.1
206.12653	0.7
223.13347	100.0
224.11563	0.6
224.13686	7.7
235.08202	0.5
250.94945	0.3
253.09267	17.1
254.09673	0.7
301.48151	0.3
399.23898	0.7
423.22314	1.5
459.22278	3.3
459.34235	0.3
460.22504	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.4
56.05903	0.2
57.03314	0.7
58.00465	0.3
59.01252	8.3
61.98692	0.3
67.64796	0.2
69.03325	2.4
69.30473	1.4
71.01253	4.2
71.04897	0.8
72.99158	0.3
73.02832	0.8
83.01241	0.5
83.04901	0.4
85.02817	0.9
85.06459	0.5
87.00753	0.5
89.02314	3.8
93.03339	0.2
93.25768	0.1
95.01270	0.4
95.04902	0.5
99.00727	0.4
101.02322	4.2
108.05628	0.3
109.06470	0.7
111.08022	0.3
113.02323	1.9
119.03373	1.0
125.09610	0.2
131.03383	0.2
133.04868	0.2
135.11620	0.2
141.09109	0.4
143.03455	0.4
148.48911	0.2
149.04463	0.2
149.09602	0.5
161.04480	1.7
161.13240	0.4
167.10689	3.4
168.11041	0.3
177.12775	0.6
179.05536	0.6
179.10738	1.0
179.14314	3.3
180.14677	0.2
187.11115	0.3
195.13840	10.2
196.14154	0.7
205.12280	10.0
206.12634	0.6
223.13344	100.0
224.13684	7.5
235.08188	0.8
241.16162	0.2
253.09264	15.5
254.09560	0.9
255.02866	0.2
289.53900	0.2
459.22360	3.9
459.34924	1.4
460.22711	0.6
477.15631	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.8
71.01241	0.5
71.22922	0.5
78.95779	8.2
120.81282	0.3
121.02852	0.3
124.99982	3.1
127.07437	0.4
133.31583	0.3
146.67461	0.4
152.99493	1.0
171.00577	0.4
181.02643	1.8
199.03679	3.6
259.20566	0.6
275.20276	0.4
277.21716	100.0
278.22067	11.9
296.91333	0.4
314.55414	0.3
400.18494	0.3
459.25250	5.6
459.34836	3.3
460.25381	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09380	0.4
59.01255	100.0
60.01598	1.2
61.98705	1.9
71.01261	5.9
71.51231	0.5
72.66585	0.4
72.99201	0.6
83.25412	0.5
85.02843	1.3
86.01170	0.4
89.02322	7.5
95.01299	0.6
101.02338	3.1
113.02342	3.3
119.03407	3.1
127.13216	0.4
131.03474	0.7
151.03998	0.6
152.99583	0.5
161.04474	1.2
179.05569	1.8
199.34586	0.5
223.05042	0.5
223.13309	1.1
242.06612	0.4
255.03000	1.3
283.02710	0.9
399.24121	0.6
459.31058	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00466	0.6
59.01252	100.0
60.01590	1.6
61.98711	1.4
63.92152	0.4
70.35838	0.8
70.36220	0.6
71.01256	7.6
72.99191	1.1
73.02832	0.7
75.00745	1.2
78.95779	0.6
83.01285	0.4
85.02831	1.7
89.02316	10.2
95.01270	0.6
101.02328	5.4
113.02313	4.6
119.03399	5.0
121.02848	47.2
122.03168	3.2
123.04428	0.5
143.03452	0.9
147.09334	0.4
149.04454	0.4
151.03934	1.1
161.04552	1.9
179.05614	1.7
180.05901	0.8
181.06514	2.7
209.04617	0.7
225.05530	3.7
226.05931	0.4
255.02988	1.4
283.02557	1.3
291.31253	0.4
313.07156	9.4
314.07776	1.0
327.66965	0.5
357.06152	2.4
399.23990	1.8
401.08765	28.0
402.09048	4.9
402.13565	0.5
423.57251	0.4
433.49350	0.4
455.33862	0.4
459.13513	1.2
459.26633	0.6
459.35104	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2907
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
72.19379	0.6
88.71802	0.6
107.04908	26.4
107.05637	1.4
108.05235	1.1
123.49663	0.8
163.11198	100.0
164.11531	4.7
254.03946	0.7
280.14795	0.8
283.17041	26.0
284.17432	2.3
295.17007	13.0
296.17426	1.1
332.03976	0.6
459.29059	72.1
460.29431	14.5
460.35062	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0726
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
50.92715	0.2
57.03318	0.2
57.27457	0.2
59.01252	2.2
59.51781	0.2
61.80603	0.2
63.02278	1.1
65.00198	0.4
67.86588	0.2
71.01253	2.3
71.23151	0.2
71.23480	0.2
72.99175	0.2
75.00742	0.7
79.03017	0.2
83.01250	0.6
85.02827	2.2
87.00760	0.8
95.01260	0.8
99.00758	0.8
103.00268	0.6
105.03324	0.3
107.01286	1.5
109.02842	0.7
113.02345	2.3
115.00265	0.4
117.01833	0.5
121.02838	0.7
125.19647	0.2
129.01840	0.3
133.02850	5.8
147.04510	0.3
149.02353	1.4
151.00285	3.6
171.04433	0.3
175.02371	0.8
175.03926	2.2
177.01840	0.4
185.05977	0.4
185.75082	0.2
198.03073	0.3
199.03960	1.9
201.01955	0.6
213.05550	0.4
215.03455	0.6
217.05008	1.1
239.03734	0.2
240.04199	0.2
241.05049	0.7
243.02989	0.4
257.04599	0.3
267.02853	0.3
284.03278	0.4
285.04044	100.0
286.04385	8.5
297.04095	0.4
298.04834	0.2
327.05042	1.4
355.04440	0.4
357.06213	0.8
369.00681	0.2
369.06058	0.4
381.05994	0.4
461.07269	10.4
462.07553	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0727
Annotation	Kaempferol 5-glucuronide
Peak:m/z	Relative Intensity
51.34540	0.2
54.34016	0.3
57.03322	0.5
59.01252	5.8
63.02265	0.5
65.00197	0.9
67.01764	0.5
68.99673	0.4
69.26414	1.8
71.01256	4.9
72.99167	1.0
73.02816	0.8
75.00754	1.2
83.01259	0.8
83.04916	0.5
85.02824	5.3
87.00742	1.0
89.02318	1.9
93.03341	0.4
95.01269	1.9
99.00755	2.6
101.02346	1.3
103.00253	0.8
107.01286	1.2
109.02841	1.1
113.02332	8.4
114.02682	0.2
115.00271	0.4
117.01794	0.5
117.03340	0.4
119.03361	0.5
119.04906	0.6
121.02859	0.3
123.00763	0.3
129.01834	0.7
133.02843	3.9
135.04369	0.7
136.98752	0.4
137.02350	0.6
139.00214	0.5
143.04962	0.5
145.02820	0.6
149.02327	0.8
149.04425	0.4
151.00282	2.3
153.01901	0.4
157.06577	0.4
161.04425	0.4
163.11104	0.3
165.01859	0.7
169.06497	0.4
171.04399	1.0
173.06052	0.4
175.02354	1.3
175.03928	1.3
177.01825	0.4
185.06003	1.0
187.03918	0.9
191.05583	0.4
197.06030	0.5
198.03078	0.5
199.03896	1.5
201.01860	0.3
207.10271	0.6
211.03923	0.8
213.05444	1.7
215.03465	0.7
217.04947	1.0
221.01096	0.3
225.11253	1.1
227.03331	0.3
229.05031	0.7
239.03453	0.8
240.04207	0.4
241.04971	1.0
243.03015	0.4
256.03546	0.3
257.04541	1.4
267.02985	0.4
268.03833	1.6
269.04321	0.4
284.03458	0.6
285.04037	100.0
286.04410	8.6
327.05069	0.6
335.10632	0.3
345.15417	0.7
357.06357	0.5
392.02109	0.3
461.07214	6.6
461.16443	0.8
461.21494	0.5
462.07550	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	4.2
61.98693	0.7
63.02267	0.8
64.21149	0.5
65.00175	0.7
68.52837	0.6
71.01247	4.2
75.00725	0.9
83.01231	0.8
84.72598	0.5
85.02809	2.6
87.00718	1.0
89.02317	1.3
95.01257	0.7
95.04936	0.7
98.19824	1.3
99.00771	0.7
101.02323	1.4
107.01250	1.4
109.06476	2.2
113.02330	3.5
117.03365	13.9
119.04913	7.5
122.49866	0.6
123.04413	46.1
124.04718	1.7
133.02843	4.7
135.04419	0.9
145.02859	56.6
146.03195	1.9
149.02327	1.0
151.00249	4.2
153.05484	45.4
154.05759	2.1
163.03920	8.3
163.11180	0.9
175.03932	1.8
177.01930	0.7
187.03999	0.7
199.03909	1.7
207.10214	3.4
217.05087	0.9
225.11290	1.4
227.03491	0.8
231.83391	0.6
237.15009	1.1
241.05086	0.6
242.02542	0.6
247.06058	0.8
255.02977	87.1
256.03342	7.9
268.03827	1.0
269.04553	4.5
283.02484	53.5
284.03165	12.7
285.04037	65.0
286.04410	6.6
297.04044	11.1
298.04807	12.7
299.05612	8.4
299.15125	0.7
307.08231	43.4
308.08566	3.3
313.03546	3.5
315.10831	0.9
327.05173	1.7
357.05743	0.8
370.98740	0.6
446.08563	18.1
447.08792	2.3
461.10980	100.0
462.11435	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	461.1456
Annotation	CHEBI:65664
Peak:m/z	Relative Intensity
50.29853	0.4
59.01250	10.8
65.00220	0.5
70.93075	0.6
71.01245	6.0
72.99178	0.4
73.02820	1.4
75.00742	0.8
81.03349	0.7
83.01269	1.5
85.02818	2.8
87.00748	1.0
89.02329	2.0
93.03355	1.3
95.01282	1.1
95.04910	0.9
97.02850	1.0
99.00761	1.3
100.62817	0.5
101.02327	4.6
107.01292	0.7
109.02811	0.8
109.06475	3.3
111.00800	0.6
113.02328	3.8
117.03345	20.8
118.03703	0.9
119.04914	14.8
121.02850	0.9
122.03603	1.0
123.04404	78.0
124.04752	2.9
133.02875	2.2
135.04482	0.5
137.02351	0.7
145.02852	100.0
146.03207	4.7
149.02397	0.9
151.00285	1.5
151.03845	0.6
153.05476	80.1
154.05795	3.4
155.12207	0.5
161.02374	0.7
161.04486	1.8
161.05858	1.1
163.03917	12.5
163.11209	1.6
164.04254	1.1
175.02496	0.4
175.03957	1.3
183.10164	1.0
187.03952	1.4
199.03853	0.8
205.05037	0.7
207.10207	8.1
225.11266	6.9
244.40108	0.5
247.06100	0.7
253.09242	1.9
255.02960	64.6
256.03366	6.0
268.03790	1.4
269.04465	2.9
283.02469	45.2
284.03131	12.2
285.04025	32.1
286.04401	2.6
297.04001	9.7
298.04770	14.1
299.05548	7.8
300.05905	0.6
307.08218	69.0
308.08578	6.0
313.03561	3.2
315.10730	1.3
327.05081	0.9
334.51212	0.5
357.05978	0.6
401.21722	0.5
414.94159	0.6
446.08521	14.2
447.08826	2.3
461.10776	66.9
461.19385	5.0
462.11130	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	461.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69294	0.5
55.01784	1.0
57.03313	1.1
59.01248	16.6
61.98702	0.6
63.02261	0.5
65.00211	0.7
65.22151	0.5
69.25815	4.2
71.01253	11.6
71.01620	1.1
72.99184	1.9
73.02809	2.8
73.18130	0.6
75.00750	1.4
77.71966	0.6
81.03336	1.0
83.01261	1.9
85.02823	7.1
87.00747	2.7
89.02322	5.5
93.03323	1.6
95.01274	2.2
95.04922	0.7
97.02824	1.1
99.00761	3.4
99.89830	0.6
101.02316	5.6
103.00322	0.6
107.01257	1.2
108.02059	0.8
109.02829	0.9
109.06467	4.5
113.02329	11.1
113.03076	1.1
117.01975	0.9
117.03344	18.3
118.03723	0.9
119.03450	1.2
119.04916	12.4
121.02836	1.5
122.03655	0.9
123.04407	68.8
124.04761	2.3
133.02818	6.0
134.03622	1.0
135.04410	2.4
137.02289	1.4
143.03363	1.0
143.04965	0.8
145.02850	93.9
146.03172	4.3
149.02348	1.4
151.00282	3.4
153.05478	73.3
154.05789	3.2
159.04362	0.6
161.02415	1.6
161.04465	2.3
161.05945	1.1
163.02531	0.9
163.03896	13.4
163.11212	2.6
164.04225	0.6
175.02461	0.8
175.03947	2.1
175.07532	0.6
177.01868	0.7
179.03404	0.6
179.05582	0.9
181.12318	1.1
183.10158	0.8
187.03952	1.7
198.06505	0.6
199.03961	2.4
205.05000	0.7
207.10213	12.1
207.49355	0.5
208.10579	0.8
217.04993	1.1
225.11267	10.0
241.05087	0.6
241.07240	2.3
243.12349	0.8
247.06004	0.9
253.09232	2.1
255.02951	6.7
255.11403	1.7
256.03418	0.7
257.04489	0.7
269.04633	0.8
271.65714	0.6
275.37006	0.6
281.09308	2.2
283.02417	6.1
284.03186	3.5
285.04028	100.0
286.04373	11.0
297.03897	2.6
298.04834	2.8
299.02271	1.0
299.05576	5.1
299.09039	0.8
307.08215	60.7
308.08572	5.9
315.10767	1.8
327.05185	1.6
341.11404	0.7
357.06250	1.1
446.08685	1.6
461.07135	4.8
461.14917	3.6
461.20612	7.0
462.07275	1.3
462.20740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1665
Annotation	Forsythoside E
Peak:m/z	Relative Intensity
51.04175	1.3
51.13424	1.4
52.25830	1.3
55.01744	1.3
57.03315	3.2
58.00458	1.4
59.01251	23.2
70.65488	1.6
70.65814	2.9
71.01254	32.7
73.02817	3.1
85.02825	28.0
89.02317	13.8
95.01266	12.2
101.02318	6.4
109.97236	1.6
113.02334	61.4
119.03382	3.1
123.04406	3.0
135.04414	34.5
136.04823	1.5
141.95370	1.4
143.03395	1.9
153.05397	2.0
154.46315	1.3
161.04488	6.8
173.21588	1.3
179.05391	1.8
297.09821	1.4
299.11493	2.0
315.10867	4.6
461.16653	100.0
462.17001	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	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.1
57.03343	3.6
58.00457	1.9
59.01253	78.0
59.91992	1.7
60.01599	2.4
61.98691	7.6
63.02259	1.6
65.00209	2.9
67.44117	1.4
69.03321	12.4
69.50122	9.8
71.01255	52.2
72.01578	1.5
72.99177	18.8
73.02820	29.1
74.02351	2.8
75.00748	35.5
75.01151	3.1
79.01753	2.5
80.62344	1.6
81.03323	3.2
83.01260	6.9
83.04870	2.2
85.02822	24.5
85.05217	1.5
86.69194	1.6
87.00754	7.0
89.02322	34.9
93.03323	3.3
95.01269	6.8
97.02834	10.7
98.20492	3.4
99.00762	18.2
101.02327	26.8
107.01270	18.2
108.02058	13.2
109.02843	2.9
109.06480	2.9
111.00764	2.9
113.02323	30.3
115.00247	2.5
117.01800	1.7
119.03398	13.8
121.02840	4.8
123.00803	5.3
123.04359	2.6
125.02331	23.4
125.06017	1.8
127.00250	2.4
129.01819	1.6
131.03386	5.0
133.02809	7.5
134.03539	1.7
135.00778	67.1
135.04404	3.3
137.02312	1.8
137.09636	4.5
143.03436	5.3
145.33099	1.9
147.53804	1.6
149.02354	3.8
149.04399	2.0
150.03075	2.9
151.00256	13.8
152.01053	19.1
153.09059	1.6
159.02887	2.6
161.02368	1.9
161.04468	20.8
163.03905	2.1
165.05536	3.0
165.09155	2.0
166.02623	15.0
166.46010	1.7
167.03416	100.0
168.03769	5.7
175.02405	4.1
175.03891	2.0
179.05527	7.5
179.10576	2.2
191.05421	2.7
193.04939	2.3
195.06580	1.8
203.10716	3.0
205.08604	1.7
207.10130	2.9
218.61876	1.5
221.11713	11.4
225.11275	6.5
239.12917	4.7
281.13721	2.1
283.02490	6.5
285.04047	92.3
286.04385	9.0
291.52667	3.1
292.03003	6.5
292.53125	1.8
299.05460	2.0
315.07263	3.1
319.93106	1.8
329.08841	15.7
330.08997	2.3
345.15759	2.3
401.18091	4.5
424.69177	1.8
429.10330	23.3
430.10318	1.8
432.05005	2.2
433.04993	2.0
461.07065	8.8
461.13010	39.9
461.19705	4.0
462.12894	4.9
462.19910	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.6
56.56075	1.2
57.03315	4.0
58.00458	2.6
58.14219	1.2
59.01250	100.0
61.98686	3.7
65.39783	1.2
69.03329	18.2
71.01253	51.0
71.51691	1.6
72.99171	5.4
73.02830	10.5
75.00751	6.6
83.01250	7.7
85.02823	52.0
86.03170	1.4
87.00751	5.6
87.04389	19.8
89.02308	31.6
95.01247	4.9
95.04869	1.7
99.00748	6.1
101.02325	41.3
102.02661	1.5
109.02834	1.8
109.06443	4.2
111.04423	1.8
111.08005	1.7
113.02334	23.0
119.03395	23.0
122.03616	2.0
123.08018	1.6
125.02407	1.9
131.03383	1.9
133.02829	3.5
135.04410	2.1
135.07986	1.6
136.05203	9.1
138.06763	6.3
139.07533	4.8
143.03358	2.0
145.04984	2.2
147.06534	4.2
149.05978	2.4
149.09605	2.6
151.00305	2.7
151.07561	21.4
151.11195	1.6
152.08278	2.6
153.05569	2.1
153.09085	11.9
159.02815	1.9
161.04449	15.5
162.06749	5.6
165.09106	3.5
167.07060	2.9
171.06528	10.4
177.09087	5.5
179.05508	4.9
199.03961	1.3
203.10677	6.2
221.11781	24.4
222.12041	2.6
235.08186	1.5
239.12822	11.6
247.08180	13.7
249.09789	6.6
263.13022	2.6
269.10324	5.9
281.14041	1.6
285.04034	66.3
286.04407	7.7
329.12366	4.1
401.14124	6.4
401.18863	2.1
461.07150	5.0
461.16699	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	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	5.4
57.03331	6.7
58.00447	3.6
59.00953	5.5
59.01250	100.0
61.98703	10.2
69.03336	7.1
71.00856	4.0
71.01252	69.4
72.99181	6.5
73.02827	14.6
75.00732	22.5
83.01253	12.5
85.02822	33.9
85.43961	3.6
87.00759	9.5
89.02323	40.3
95.01249	4.1
97.02827	7.3
99.00775	12.1
101.02310	24.9
107.01237	4.3
109.02824	5.6
113.02309	19.0
119.03381	10.5
121.06463	3.3
125.02342	13.8
125.05974	3.5
129.01852	6.3
131.03395	4.3
133.02892	5.8
135.00777	8.4
135.04387	3.6
136.05194	4.3
137.09605	19.7
139.07507	4.3
151.00246	4.0
151.07574	5.3
153.09152	7.3
161.04451	6.4
165.09119	25.1
167.03453	5.5
177.09157	6.1
207.10036	4.2
220.10986	8.5
221.11833	11.7
221.59512	3.3
222.68588	3.3
223.13391	8.5
225.11272	7.4
233.06641	7.2
237.11250	5.4
239.12888	9.2
247.08163	24.4
281.13898	5.0
285.04041	64.8
286.04340	9.3
293.08820	6.4
357.15500	14.4
383.17340	4.9
401.18387	19.6
429.10425	6.9
461.07092	6.6
461.15942	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04597	1.0
55.01755	1.2
56.23738	1.1
57.03340	1.2
59.01254	33.3
61.98703	3.8
63.02292	1.3
69.03330	1.3
71.01256	18.3
71.51425	1.1
72.99194	6.7
73.02827	8.1
74.02348	21.5
75.00726	1.6
75.24006	1.0
83.01266	2.9
85.02827	10.5
85.18192	1.1
87.00752	3.7
89.02309	8.5
91.03893	2.7
93.03346	1.8
95.01276	1.6
97.02801	1.8
99.00768	6.3
101.02334	8.8
107.01296	1.9
108.93919	1.2
109.02834	1.6
109.06474	1.1
111.00718	1.3
113.02334	14.4
115.00269	2.1
119.03394	2.2
123.04428	1.1
131.03429	1.2
133.02843	7.1
135.04424	4.0
137.02336	3.5
145.02866	1.6
149.02348	1.6
151.00235	5.0
161.02498	1.6
161.04466	3.5
167.10738	1.2
171.10173	3.0
175.02498	1.5
175.03940	2.9
179.40889	1.0
195.13872	3.0
199.03893	2.1
201.01752	1.0
207.10258	1.2
217.05194	1.4
225.11266	1.5
242.38811	1.1
244.59947	1.0
285.04047	100.0
286.04376	10.5
299.05338	1.5
327.21735	10.3
357.06293	1.3
357.19193	2.4
375.20233	5.5
417.21295	17.6
418.21548	2.1
461.06940	7.3
461.20346	3.5
461.25571	1.5
462.07697	2.4
462.20871	2.2
462.27106	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38439	0.4
55.01756	1.1
56.21698	0.5
57.03328	1.1
58.00446	0.6
59.01250	40.8
63.02274	1.2
65.00217	0.5
69.22839	2.5
69.23257	1.7
70.02016	0.5
71.01256	18.4
72.01566	0.6
72.99178	1.5
73.02814	6.3
75.00740	1.8
83.01256	3.7
85.02821	10.0
87.00744	1.7
89.01775	0.6
89.02318	10.4
95.01253	1.9
97.02838	0.6
98.19827	0.8
99.00759	14.1
101.02322	11.6
102.02674	0.4
105.03364	0.6
107.01280	2.4
109.02829	1.0
113.02337	13.4
115.00258	0.7
119.03397	1.6
121.06470	1.0
125.02335	0.5
127.53175	0.4
127.58275	0.5
131.03400	1.8
133.02861	7.9
134.03192	0.6
137.09622	14.7
137.99542	0.4
138.09946	0.9
143.03403	0.8
149.02350	1.9
149.04446	6.8
151.00285	4.1
159.02901	1.4
161.02383	0.5
161.04494	7.2
163.07529	0.6
168.02921	1.9
175.02490	0.5
175.03789	2.3
185.05956	0.6
191.05547	4.2
199.03935	2.2
201.01915	1.3
207.10223	1.5
213.05481	0.7
217.04977	1.1
219.08638	2.2
225.11316	1.4
233.06650	1.1
237.09766	31.2
238.10089	1.6
241.01471	0.8
241.04996	0.7
243.02849	0.5
245.00830	0.5
253.09348	0.7
257.04517	0.8
267.02573	0.5
270.01776	0.5
271.02371	0.8
285.04044	100.0
286.04419	9.2
297.04016	0.6
298.04767	1.1
299.02023	1.1
299.05261	0.6
327.05130	1.7
345.15582	2.3
357.06253	1.0
401.18164	2.2
461.07162	8.8
461.13776	0.6
461.16336	0.8
462.07468	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83979	0.7
53.36824	0.8
57.18834	0.9
59.01239	1.3
59.81604	0.9
69.30854	6.1
78.95780	35.4
79.37843	0.7
83.51361	0.8
90.58714	0.8
93.86513	0.9
104.97342	1.5
107.59862	0.7
110.98418	25.1
111.08029	1.4
112.06646	0.8
121.77685	0.7
129.03671	0.8
167.01070	25.7
179.14310	1.7
181.12270	0.9
185.02145	7.7
193.27501	0.9
195.13853	12.4
196.14526	1.6
211.13217	1.5
223.13324	7.7
224.13811	1.6
228.13712	1.2
243.77202	0.8
256.13123	2.3
275.20200	6.5
276.20654	0.9
285.04086	2.4
293.21222	100.0
294.21564	11.7
392.16043	2.5
461.23093	52.5
462.23529	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	4.4
59.01254	2.9
78.95777	20.9
91.86932	0.5
97.06467	0.8
98.20669	1.1
103.50241	0.5
104.97334	0.9
110.98419	14.1
113.09611	19.0
114.09991	0.8
135.11693	0.7
136.99988	0.7
139.11191	1.9
149.09607	0.8
152.53685	0.5
167.01073	17.7
167.10648	2.7
168.11096	0.5
179.10739	2.5
185.02153	5.4
195.13861	2.9
229.18716	1.0
231.65245	0.6
249.22202	2.3
275.20203	1.1
285.04047	4.0
293.21225	100.0
294.21579	11.9
358.05991	0.6
420.89661	0.6
422.55627	0.6
461.23111	29.8
462.23495	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.5
59.01234	1.0
68.91174	0.4
69.62615	0.4
71.01186	0.9
76.92316	0.4
78.95775	13.0
85.58495	0.4
86.47719	0.4
104.97359	0.4
105.47344	0.4
110.98412	10.0
111.08059	0.6
113.09613	0.6
152.99489	0.8
167.01082	5.7
175.26379	0.4
179.14200	0.9
185.02106	6.6
186.02522	0.5
189.04454	0.4
195.13832	9.7
196.14449	1.4
205.12299	0.9
211.13306	0.6
223.13344	7.4
224.13770	0.8
228.13655	0.8
235.16989	0.7
256.13074	1.8
275.20197	5.2
276.20337	0.4
285.03891	1.6
293.21216	100.0
294.21555	12.2
392.15991	0.8
461.23087	26.3
462.23590	5.0
463.27255	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.3
56.31114	1.0
57.03320	1.7
58.00469	6.3
59.01252	38.8
61.98691	3.7
63.02251	1.2
69.03332	1.9
71.01256	35.7
71.72245	1.0
72.99177	2.4
73.02818	22.6
74.02338	2.4
75.00753	3.0
78.95773	1.0
81.14877	1.0
83.01262	4.1
85.02831	14.3
87.00752	2.1
87.04362	1.2
89.02334	12.1
95.01277	3.5
99.00770	3.2
100.11888	1.0
101.02328	12.2
103.03892	3.9
107.01298	2.9
111.08082	1.1
113.02339	12.2
119.03395	3.9
121.02847	2.8
125.02380	1.2
125.05956	3.4
133.02878	5.3
133.68668	1.1
135.04408	2.3
139.07545	2.9
149.02371	1.3
151.00278	3.2
152.99500	1.7
161.04434	2.8
163.14827	2.1
167.14362	6.5
173.13390	1.4
175.03903	2.6
179.14317	4.5
183.13824	9.2
191.14351	10.5
195.13855	27.4
196.14246	1.9
197.15387	9.1
199.03931	1.8
201.01762	1.5
207.13829	5.5
209.15431	16.8
213.14908	100.0
214.15285	7.0
217.05084	1.3
219.13934	1.5
223.16980	1.1
227.16487	51.8
228.16795	2.5
228.86992	1.0
237.14931	33.2
238.15323	3.5
247.08272	2.8
249.14944	3.9
250.15352	1.4
255.15999	61.8
256.16394	2.9
265.09360	7.7
267.16071	5.7
284.03159	1.2
285.04034	93.1
286.04407	10.0
309.17160	1.9
315.18210	3.5
327.05176	1.2
461.07120	7.5
461.17407	2.2
461.23978	42.6
461.29666	1.8
462.23929	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	461.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.6
57.03312	3.8
58.00469	2.5
59.01248	100.0
59.42994	1.2
60.01577	1.6
61.98693	2.5
66.25773	1.3
66.39044	1.3
69.28540	12.2
71.01250	47.3
72.99181	6.6
73.02819	14.5
75.00742	12.9
82.93583	1.4
83.01239	5.5
85.02814	24.7
85.51914	1.3
87.00741	4.0
89.02318	21.3
95.01262	6.5
96.11897	1.4
97.02821	2.3
98.20577	2.5
99.00745	9.1
101.02319	33.4
102.02669	1.4
103.00261	2.0
109.02803	1.7
109.06487	1.6
111.00755	1.6
113.02327	29.2
119.03375	9.1
121.02795	2.3
123.04370	2.2
125.02238	1.4
128.03409	1.6
129.01830	2.4
131.03372	4.1
133.02821	3.3
135.04414	2.4
137.02301	2.3
137.09641	1.9
143.03362	4.2
149.02466	1.6
149.04483	2.4
151.00192	2.9
159.02835	3.2
161.04446	34.0
161.05817	1.7
161.09607	3.3
165.09120	1.4
173.09726	1.4
175.02377	2.2
179.03261	1.8
179.05545	6.4
179.10757	1.7
187.72122	1.6
191.05544	1.9
199.03957	2.0
203.10680	4.2
205.03487	2.1
207.10236	2.8
221.06609	3.0
221.11681	8.3
221.15376	2.9
225.11351	6.9
226.11691	2.1
227.73523	1.6
235.08221	12.9
235.13377	4.0
239.12784	2.3
253.09280	1.7
285.04034	56.1
285.07178	3.1
286.04269	7.5
292.02887	2.3
292.53064	2.2
345.15314	2.3
347.17065	2.1
357.06192	1.6
401.07376	1.5
401.16922	2.0
401.21838	40.7
402.22052	6.2
450.73828	1.7
461.06882	5.6
461.20947	17.6
462.07169	1.7
462.20370	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	461.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35189	0.4
59.01251	55.6
60.01572	0.7
66.33610	0.3
68.60890	0.4
69.21262	0.8
69.21655	3.7
78.95778	2.1
89.51405	0.5
92.51440	0.4
101.02396	0.5
102.27022	0.4
125.00011	0.8
136.32782	0.4
163.06068	1.5
199.03752	0.5
255.23267	100.0
256.23651	9.5
279.23288	21.3
279.26477	0.8
280.23660	2.2
285.04019	2.8
293.24799	1.8
461.26727	1.7
462.26962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0884
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
56.73901	0.4
59.01258	7.3
61.98700	0.6
62.54684	0.5
65.00206	0.8
66.37570	0.5
71.01251	6.4
73.02829	2.9
75.60576	0.4
83.01255	0.9
85.02842	1.1
89.02318	10.7
92.55135	0.5
95.01248	0.8
99.00758	14.2
101.02329	3.1
107.01251	1.4
109.02847	0.9
113.02340	6.7
119.03371	1.5
121.02812	1.1
131.03360	2.0
135.00766	0.7
143.03438	0.9
146.15918	0.5
148.01588	0.8
149.04469	12.4
151.00287	9.8
161.04448	4.6
163.00299	1.2
164.01025	0.7
178.99777	5.2
179.05528	1.0
191.05548	10.5
199.03868	0.6
211.03912	0.6
226.02629	1.0
227.03441	1.7
229.04980	0.6
233.06644	1.9
243.02985	6.6
244.03621	0.9
245.04480	1.0
254.02261	1.6
255.00258	0.8
255.02975	16.2
256.03305	1.5
271.02478	41.0
272.02914	5.2
273.03763	0.7
281.75369	0.6
299.02008	1.4
300.02744	93.8
301.03485	68.5
302.03922	6.2
304.94272	0.6
331.17606	1.4
463.08820	100.0
463.21884	7.3
464.09149	17.0
464.15854	0.7
464.22192	0.6
478.01758	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1251
Annotation	Okanin 4-methyl ether 4'-glucoside
Peak:m/z	Relative Intensity
51.04546	0.3
51.45469	0.4
57.03257	0.6
59.01166	10.7
59.01501	1.8
61.98654	0.4
63.02189	2.1
65.00115	5.5
65.00481	0.4
71.01164	5.6
71.01589	0.6
72.99111	0.5
73.02734	1.6
81.03262	0.4
83.01166	4.7
85.02726	2.3
86.16692	0.3
87.00681	0.6
87.93064	0.3
89.02222	3.0
93.03278	0.7
95.01183	0.6
97.06414	0.4
99.00661	0.8
101.02335	4.1
107.01272	12.2
108.02078	5.3
109.02844	4.2
109.06421	0.4
111.00668	0.5
113.02320	2.3
115.07449	0.5
119.03319	0.8
119.04822	0.3
121.02791	0.4
123.04414	2.5
124.01495	0.4
125.02332	1.7
129.09052	0.4
131.01228	0.5
133.02795	0.7
134.03636	22.3
135.04251	1.3
136.01575	1.9
137.02356	2.3
139.11119	0.4
145.02768	0.6
149.02251	0.5
149.05984	15.6
150.06224	1.0
151.00276	36.2
152.00514	1.9
153.01854	5.1
156.50969	0.3
157.08420	0.3
161.02278	0.4
161.04366	1.2
162.07579	0.3
163.00252	0.4
163.03793	0.5
163.99898	0.4
164.01056	4.2
165.01866	2.8
169.01332	1.7
174.03041	0.9
175.00320	1.6
175.03806	0.6
177.01843	3.8
179.03346	0.5
191.05283	0.4
193.01341	0.7
196.00046	2.7
197.09599	0.7
199.03813	1.0
201.01834	0.7
207.10173	0.6
207.13872	0.5
208.10558	0.6
209.11758	0.7
213.12697	1.0
215.03380	0.8
217.04883	0.5
227.12767	0.5
242.05750	1.0
253.08986	0.4
255.02905	1.2
257.11844	0.4
258.05444	0.4
271.02524	2.1
283.15448	0.9
283.19058	1.0
284.03189	0.4
285.03928	1.5
286.04755	2.4
287.04648	1.8
299.04990	0.4
300.02808	3.7
300.05899	0.5
301.07156	100.0
301.20206	4.0
302.04239	0.5
302.07483	9.9
325.07092	2.0
343.08276	3.1
355.08350	0.5
403.23349	0.8
445.24829	0.8
463.08743	2.4
463.13828	1.8
463.25717	24.3
464.25928	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	463.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	4.6
57.03318	4.9
58.00461	3.2
59.01250	79.3
61.98699	3.4
71.01255	64.4
72.01608	1.7
72.99178	4.4
73.02819	26.0
75.00740	12.8
75.29047	1.4
83.01244	10.0
85.02823	27.5
85.99957	1.4
87.00743	5.1
89.02314	22.8
93.03329	6.5
95.01247	4.1
97.02818	2.7
98.20583	3.5
99.00756	16.7
99.04381	1.4
101.02319	42.9
108.02085	2.5
111.00761	2.5
113.02331	27.0
119.03391	7.8
123.04420	1.3
133.02878	3.1
134.03212	1.8
137.02348	4.8
143.03394	3.4
146.49994	1.6
149.04463	3.6
153.09180	1.6
159.02875	2.8
161.02415	1.7
161.04457	20.1
179.05522	2.9
183.10153	5.4
197.11781	3.3
209.11920	2.4
225.11314	3.7
227.12823	3.7
229.24847	1.4
265.14166	1.5
285.04044	22.3
286.04407	17.6
287.04608	38.7
287.08020	2.2
287.09232	2.7
288.04910	2.3
317.10281	3.7
331.13599	3.1
331.17596	51.7
332.17947	4.6
345.15421	3.5
359.16956	2.3
363.16602	5.3
403.19608	6.6
463.08115	12.4
463.22314	100.0
464.22476	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	463.219
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
55.01757	4.9
55.21149	0.6
55.97649	0.6
57.03328	3.4
58.00494	2.5
59.01251	47.6
61.98714	1.3
69.03351	1.0
71.01256	49.0
71.04929	1.0
72.01625	1.0
72.99167	3.1
73.02819	19.0
75.00774	2.3
80.02576	0.7
81.03348	1.1
83.01252	9.6
83.04892	5.4
85.02821	23.7
87.00755	3.6
89.02315	17.5
95.01237	3.2
97.02850	1.7
99.00756	10.7
100.01175	0.6
101.02322	41.2
102.02661	1.1
107.01265	0.7
109.06490	0.8
111.00797	1.9
113.02338	19.1
117.03376	0.5
119.03385	3.6
119.04887	0.8
124.69637	0.6
125.02422	1.4
128.67157	0.6
129.01849	1.6
131.03436	1.4
137.02365	1.4
137.06073	0.6
143.03426	2.7
145.02858	1.1
149.04388	0.8
151.00366	0.8
159.02859	3.0
161.02414	1.0
161.04469	14.0
162.04800	0.9
163.11249	3.2
165.12767	1.4
169.12292	3.3
179.05569	1.1
191.05582	1.3
191.10629	1.3
197.09630	0.9
209.11775	100.0
210.12131	6.7
227.12848	18.5
228.13202	1.2
235.08145	0.9
239.12869	0.8
253.09270	14.1
254.76251	0.6
255.03006	1.1
271.02359	1.8
283.02371	0.9
286.04300	0.8
287.04468	1.4
300.02646	3.3
301.03482	7.4
301.20267	0.8
313.16623	0.7
331.17612	68.6
332.17975	6.9
403.23331	1.8
427.86575	0.7
445.24246	2.3
463.08441	2.7
463.21658	70.9
464.22018	11.3
471.74564	0.6
489.26050	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10063	0.5
56.92040	0.6
58.92063	0.5
59.01252	100.0
60.01606	1.1
60.46431	0.5
61.98701	1.0
69.47166	2.7
69.47582	1.4
71.01255	8.1
73.02811	1.6
83.01279	1.1
85.02839	1.5
87.00742	0.6
87.58838	0.5
89.02313	7.0
90.52423	0.6
97.35111	0.5
98.20501	1.1
98.46583	0.5
101.02316	4.1
112.05730	0.5
113.02341	2.8
119.03393	3.1
132.41357	0.5
141.71367	0.5
143.03455	1.0
147.08093	0.6
161.04510	4.1
175.07564	0.9
179.05594	5.6
205.12305	3.0
223.13379	2.8
241.14502	1.2
252.21790	0.6
259.15976	0.6
320.37537	0.6
381.02765	0.6
403.19894	1.1
463.22449	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02051	0.7
55.01756	3.7
57.03317	3.5
58.00449	3.0
59.01248	68.9
60.01558	0.7
60.96122	0.8
69.30654	6.5
71.01253	62.0
72.99177	2.5
73.02816	27.8
75.00748	1.3
83.01229	6.1
85.02817	23.8
87.00750	3.6
89.02314	65.0
89.58376	0.7
90.02647	0.9
95.01274	6.1
99.00753	100.0
100.01114	1.6
101.02314	34.6
102.02656	0.8
107.01228	0.9
108.58836	0.8
111.00765	1.3
113.02326	51.4
114.02638	2.1
115.72991	0.9
119.03380	14.1
125.02331	1.3
131.03400	18.3
143.03389	6.7
149.04456	83.9
150.04797	1.3
151.00264	2.0
156.62451	0.8
159.02885	1.2
161.04457	44.4
162.04863	1.1
179.05531	5.2
191.05537	76.3
192.05922	2.8
199.93024	1.1
226.02701	0.8
233.06621	16.2
234.07104	1.0
243.02942	3.1
255.02917	4.9
264.22635	1.0
271.02505	10.3
272.02872	1.3
286.04413	1.4
287.04764	1.4
293.08780	4.0
300.02704	14.4
301.03479	9.0
313.16599	2.3
331.17569	20.7
331.21399	1.4
332.17908	2.0
463.08786	16.9
463.21854	75.6
464.08902	1.9
464.22162	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	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10952	0.4
56.47486	0.4
57.03321	0.6
58.27779	0.4
59.01251	9.2
61.98690	1.3
62.76917	0.4
67.80704	0.3
69.36590	0.9
69.37001	2.1
71.01251	6.0
71.04902	0.5
72.99170	1.6
73.02808	1.8
75.00739	1.2
80.02550	0.9
81.03338	1.0
83.01236	1.5
83.04895	4.8
84.02037	0.9
85.02861	1.8
85.43893	0.3
87.00754	1.1
89.02316	5.1
93.03290	0.5
95.01264	0.7
95.04897	0.9
99.00751	2.7
101.02313	4.7
107.21151	0.4
113.02322	3.2
116.95361	0.4
118.25169	0.4
118.31374	0.4
119.03394	1.0
121.06456	0.4
125.05925	0.5
131.03381	0.5
132.00696	0.4
135.08047	0.9
137.02330	1.0
143.03365	0.4
149.04445	1.0
151.00314	0.5
155.29404	0.4
161.04474	2.0
163.11198	3.4
165.12753	2.1
179.05482	0.5
181.12262	0.4
191.05653	0.4
191.10681	1.0
199.13318	0.4
209.11766	100.0
210.12129	7.4
227.12846	14.8
227.15134	0.7
228.13150	1.6
237.09793	1.7
253.09268	13.2
254.09642	0.7
255.03053	1.0
271.02435	2.0
271.56934	0.4
285.03964	0.9
286.04446	0.5
287.04617	1.4
300.02640	2.9
301.03464	1.8
347.17029	0.9
377.47433	0.4
463.08459	3.0
463.22101	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05323	0.8
59.01250	100.0
61.98701	34.3
70.55444	0.7
71.01257	12.3
71.37902	1.3
72.99197	2.1
73.02824	3.1
75.00746	22.4
77.60982	0.7
83.04884	3.6
85.02792	3.6
87.00772	1.2
87.44863	0.7
89.02312	11.3
93.03363	1.2
93.44337	0.6
95.01289	1.2
95.15577	0.8
95.45991	0.7
99.00779	1.7
99.21200	0.7
99.61335	0.7
101.02294	6.2
109.12726	0.7
113.02345	5.8
119.03387	4.5
123.08087	0.8
125.02329	0.7
131.03455	0.9
137.02371	3.4
137.09642	1.0
143.03413	1.7
153.09158	1.6
161.04465	4.4
167.10678	1.8
179.05536	7.0
180.05818	0.7
187.74974	0.8
209.11839	1.8
212.84413	0.7
223.13411	1.4
241.14500	2.4
283.79678	0.7
300.59457	0.8
373.14896	1.0
403.15128	0.9
403.19623	3.9
463.21912	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	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17830	1.3
51.61194	1.4
51.84269	1.3
55.01741	1.6
58.00473	2.9
59.01248	100.0
60.19090	1.4
61.98692	8.7
69.31273	4.1
69.31688	6.8
71.01250	54.8
72.13464	1.8
72.99174	2.7
73.02818	5.8
75.00752	4.3
83.01248	4.1
85.02818	9.6
87.00751	5.2
89.02313	76.1
93.27944	1.8
95.01276	3.0
99.00756	7.4
101.02322	27.2
112.47242	1.3
112.74004	1.4
113.02319	19.0
119.03382	27.0
121.02798	1.5
121.06535	1.9
125.02371	2.0
131.03412	3.8
137.09648	9.7
143.03392	6.3
149.04462	4.9
161.04440	16.2
161.07188	2.9
167.07127	2.2
169.08600	1.7
179.05522	48.2
180.05812	2.3
191.05479	2.2
201.35397	1.8
209.11755	14.9
212.08202	7.9
227.12843	1.9
385.18671	2.8
403.19595	3.6
463.18060	6.7
464.16949	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	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01788	0.5
57.03335	0.5
58.00488	0.5
59.01251	11.8
60.99188	0.3
61.98706	4.0
69.03343	0.3
69.33572	1.9
69.38540	0.2
71.01250	7.8
72.99174	1.4
73.02824	2.2
75.00748	2.0
80.02583	1.0
81.03334	1.3
83.01257	1.3
83.04897	4.7
84.02071	1.2
85.02826	3.1
87.00742	1.5
89.02310	5.7
95.01293	0.7
95.04943	0.8
97.06470	0.5
99.00750	2.7
101.02322	5.7
107.01292	0.4
108.02086	0.8
109.02837	0.5
109.06517	0.5
109.99581	0.3
113.02337	4.1
119.03387	1.7
119.04946	0.3
121.02911	0.3
123.04422	0.3
125.05988	0.6
131.03441	0.5
133.02858	0.7
135.08063	0.7
137.02353	0.6
143.03395	0.6
145.02858	0.5
147.11681	0.3
149.04501	1.1
151.00264	1.6
161.02367	0.9
161.04463	2.5
163.00284	0.4
163.03816	0.3
163.11212	3.7
165.12759	2.2
168.02959	1.0
169.03333	0.6
178.99849	1.1
179.05473	0.6
181.12251	0.5
183.10217	1.2
191.05563	1.1
191.10721	0.9
199.03893	0.3
199.13324	0.8
209.11772	100.0
210.12114	8.1
211.93436	0.3
227.03461	0.4
227.12852	17.7
228.13188	1.6
233.06512	0.3
239.12811	0.9
243.02985	1.5
253.09267	12.5
253.11920	0.6
254.02267	0.4
254.09515	0.7
255.02991	3.8
256.03522	0.4
271.02478	9.0
272.02933	0.9
285.03998	1.6
286.04343	1.5
287.04678	2.7
297.11874	0.4
300.02747	11.3
301.03464	7.1
302.03784	0.4
331.17496	0.8
463.08548	9.8
463.20822	1.5
463.26303	0.6
464.08850	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36149	0.2
53.15968	0.3
56.05519	0.2
57.03318	0.3
57.23705	0.3
59.01254	1.9
59.44247	0.2
61.98707	0.3
68.74268	0.2
69.03316	0.3
71.01251	0.4
78.00346	0.2
78.95770	3.8
81.87054	0.3
85.02820	0.4
89.02309	0.2
93.03302	0.4
96.95877	0.3
96.96857	0.4
98.19785	0.8
99.00731	0.3
110.98419	0.7
112.84958	0.3
116.80219	0.2
117.03349	100.0
118.03677	4.3
124.15322	0.2
127.11266	0.3
129.31615	0.2
133.24597	0.3
135.04439	2.4
149.70087	0.2
152.99489	4.7
153.24875	0.2
161.02350	14.9
162.02704	0.7
167.74179	0.2
178.75529	0.2
179.03424	0.4
185.02051	0.2
194.29269	0.2
196.63779	0.3
204.96875	0.3
209.11755	1.2
221.19040	4.0
237.17726	0.4
241.14412	0.3
243.02875	0.4
255.03098	0.3
257.21231	0.3
257.74170	0.3
265.18057	2.7
266.18509	0.3
271.02518	0.7
275.20160	0.5
276.20456	0.4
277.20734	0.4
281.21225	0.5
283.19168	4.1
284.19568	0.3
287.04614	0.4
293.21179	2.4
294.21506	2.0
295.21863	5.2
300.02765	0.9
301.03516	0.5
301.20206	34.8
302.20547	3.0
335.98288	0.3
435.05267	0.3
463.08929	0.9
463.23441	14.8
463.29803	0.6
464.23737	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	463.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51476	0.3
50.60056	0.3
57.03324	0.5
58.13237	0.4
59.01253	1.7
78.13777	0.3
78.95781	10.7
97.06464	0.5
99.08027	0.4
110.98423	7.8
113.09630	2.3
154.07777	0.3
167.01070	4.8
177.12779	0.9
179.14355	1.5
181.12251	0.6
185.02132	6.6
195.13844	16.8
196.14252	1.6
233.22691	0.5
277.21725	14.1
278.22141	1.9
295.22784	100.0
296.23151	12.5
393.41501	0.4
413.36102	0.4
415.26593	0.5
426.29767	0.4
463.24692	22.8
464.24979	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2467
Annotation	schweinfurthin G
Peak:m/z	Relative Intensity
57.03331	0.8
59.01237	1.6
76.53085	0.6
78.95313	1.1
78.95773	21.5
83.04880	0.5
98.20580	0.9
109.18430	0.6
110.98418	20.1
113.09610	3.0
137.00047	0.7
167.01062	20.6
177.12775	0.6
179.14340	0.9
181.12379	0.5
185.02133	5.4
195.13838	20.8
196.14169	1.4
210.92154	0.5
233.22702	0.7
245.34102	0.6
277.21713	19.0
278.22113	1.9
295.22778	100.0
296.23090	9.2
298.14291	0.5
313.65970	0.6
315.06650	0.6
355.46902	0.6
382.19797	0.6
424.75763	0.5
463.24680	46.1
464.24957	5.8
483.09055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55993	0.3
55.01748	0.7
57.03322	1.0
58.00465	0.9
59.01252	25.7
60.01564	0.4
61.98696	0.5
71.01252	14.2
71.04891	2.5
72.99184	2.0
73.02813	2.1
73.06454	0.6
75.00755	0.7
81.03270	0.4
83.01241	1.6
83.04900	0.7
84.02088	0.5
85.02829	4.5
87.00755	1.4
89.02321	11.8
95.01258	1.3
97.06458	0.6
99.00778	1.1
99.04413	0.4
101.02325	11.3
101.05952	5.8
108.02048	5.0
109.02824	1.1
111.00800	0.4
113.01624	0.3
113.02329	5.9
115.07557	0.4
119.03390	3.3
125.21717	0.3
133.02850	0.6
137.02335	0.6
143.03447	0.4
145.02841	0.5
146.29646	0.3
148.93945	0.4
152.01044	3.6
153.01834	1.1
153.12752	1.6
157.12234	0.4
161.04454	0.8
165.01762	0.5
167.14275	0.5
179.05611	0.5
199.13371	0.4
200.04280	0.3
203.34698	0.3
209.37685	0.3
219.17299	0.4
227.12813	0.9
229.55226	0.4
237.18538	0.7
241.14282	0.3
255.19789	1.9
265.18253	0.4
271.02499	0.8
283.19144	2.2
285.20737	0.8
287.04541	0.8
297.20667	0.5
300.02792	1.0
301.03635	0.7
301.20209	27.6
302.20499	2.9
343.21225	0.7
350.37531	0.3
445.24350	0.5
463.08835	4.2
463.25522	100.0
464.09091	0.6
464.25839	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	21.2
60.01583	2.0
61.98705	100.0
69.19292	4.9
71.01257	5.4
72.99165	0.7
75.00751	2.8
83.04901	0.8
85.02823	1.6
89.02315	3.9
101.02348	2.1
113.02322	1.5
119.03421	1.4
145.97180	0.6
152.13402	0.6
161.04456	1.3
179.05606	1.3
305.56573	0.6
465.19495	1.4
475.35751	0.7
481.96500	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76153	0.3
52.36629	0.4
59.01250	8.8
60.01583	0.4
61.98703	100.0
69.40072	2.2
71.01254	4.4
72.99184	0.6
73.02827	1.0
74.02366	0.5
75.00746	2.3
80.37776	0.3
81.56871	0.3
85.02843	1.5
87.00743	0.6
89.02322	2.8
93.03355	0.4
98.19764	0.4
99.00761	0.8
101.02348	1.5
113.02346	1.6
123.03532	0.3
135.04430	0.6
137.02368	1.4
141.09132	0.6
161.02422	0.5
161.04514	0.7
179.03415	0.9
179.05275	0.3
199.09782	0.7
209.11731	0.4
209.38806	0.4
215.76939	0.4
223.13425	0.8
241.14497	1.4
244.82539	0.4
285.13428	1.9
306.07828	0.4
316.65543	0.4
333.15747	0.9
404.20309	0.8
465.19946	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	10.4
59.51255	0.4
61.98701	100.0
69.44744	2.2
69.45159	1.1
69.90938	0.6
71.01244	5.0
72.99193	0.9
73.02798	1.2
74.02304	0.7
75.00743	6.1
83.01264	0.7
85.02836	1.4
89.02319	2.9
93.03362	0.5
96.93227	0.6
98.19785	0.6
99.00764	0.8
101.02322	2.6
104.91078	0.4
107.19322	0.5
108.04477	0.6
109.06469	1.0
113.02326	1.6
119.03410	1.4
119.08613	0.4
122.32001	0.4
125.02329	0.5
161.04491	0.6
172.91261	0.5
179.05553	0.8
207.10168	0.8
210.12157	0.6
285.07794	0.7
303.13550	1.0
307.93774	0.6
405.21429	0.6
450.40228	0.5
464.18140	0.6
465.19141	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	464.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.3
59.01249	7.1
60.01588	0.3
61.98702	100.0
69.03331	0.3
71.01252	4.6
71.52873	0.3
72.99204	0.5
73.02818	0.7
75.00746	6.8
76.01086	0.6
83.01273	0.4
85.02821	1.7
87.00767	0.4
89.02308	2.4
93.03334	1.5
95.01294	0.4
97.02831	0.3
99.00771	0.8
101.02319	2.7
113.02328	2.0
115.00273	0.2
119.03408	0.9
121.06496	0.5
135.04427	0.6
136.01535	0.4
137.02330	3.0
143.04492	0.4
145.02728	0.3
161.04439	1.3
165.05518	1.1
174.88544	0.3
179.03374	1.9
209.04550	0.5
209.11870	0.6
210.12042	0.4
221.15837	0.3
239.05563	2.2
287.70096	0.3
299.07797	0.7
404.20197	0.7
405.21317	0.5
464.12689	0.3
464.18195	0.3
465.20016	0.7
465.27194	2.3
487.46951	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46397	0.3
54.87602	0.3
55.01741	0.9
57.03314	1.2
59.01252	12.7
59.10767	0.3
65.03823	0.3
71.01254	8.7
72.99188	0.5
73.02818	2.4
75.30005	0.3
83.01264	2.1
85.02826	4.2
85.99967	0.6
87.00748	0.5
89.02319	2.4
93.03334	82.5
94.03651	2.2
94.25063	0.4
95.01263	1.1
98.20673	0.7
99.00751	1.1
101.02334	6.9
102.02647	0.4
111.00770	1.2
113.02337	5.4
117.03340	4.8
118.03674	0.4
119.03414	0.8
119.04909	3.2
121.02837	0.6
123.04441	0.6
133.02866	6.2
135.04402	5.5
136.04756	0.4
137.02342	100.0
138.02682	4.4
139.03853	0.5
145.02859	13.7
146.03177	1.1
153.05505	0.5
161.02350	14.2
161.04532	1.2
162.02719	1.4
163.03961	2.0
179.03439	2.6
187.07527	0.3
237.18661	0.4
239.20230	0.4
239.95404	0.3
257.21124	1.7
303.21753	3.6
307.08212	4.0
308.08688	0.4
311.09689	1.5
311.59933	0.5
333.19183	0.6
363.94189	0.3
405.24878	1.1
447.26157	1.0
454.53421	0.4
461.16650	1.6
464.26157	0.7
465.13510	1.6
465.27045	54.8
465.64328	0.9
466.27350	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	465.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01002	0.9
59.01252	10.7
61.98703	5.3
66.69147	0.9
71.01249	4.7
71.50926	1.0
72.99207	1.2
73.02815	1.2
80.91507	0.8
83.95580	1.0
85.02825	1.5
87.00774	1.0
89.02323	3.9
99.00739	1.1
101.02332	4.7
107.17516	0.9
112.40939	1.0
113.02321	2.8
119.03413	2.0
134.03670	0.9
136.01584	1.9
137.02356	2.0
151.03917	2.8
179.05574	1.6
190.68311	1.2
195.04434	1.2
213.05528	9.8
214.05812	1.8
223.03955	2.2
224.04750	2.6
241.05028	60.0
242.05338	4.9
256.07385	56.3
257.07773	4.3
271.09753	100.0
272.10101	9.6
303.14627	1.1
319.11826	16.7
320.12155	1.6
320.82739	0.9
338.19031	0.9
405.21350	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01731	1.4
56.19217	1.0
57.03313	1.6
58.00457	1.9
59.01250	60.1
59.34828	0.8
71.01251	52.4
72.99150	2.8
73.02820	22.7
83.01237	3.0
83.04868	1.2
85.02346	1.4
85.02820	17.1
87.00741	1.7
87.91512	0.9
89.02316	70.0
90.02635	2.0
95.01257	5.6
97.85612	0.9
98.19778	2.7
99.00756	100.0
100.01067	3.5
101.02319	27.8
113.02332	45.0
114.02627	0.9
119.03373	9.0
125.02348	1.5
131.03397	16.0
143.03346	4.0
149.04462	54.2
150.04802	2.0
159.02869	2.3
161.03223	1.5
161.04466	20.7
171.10112	2.3
179.05486	3.8
191.05540	40.5
192.05872	2.3
193.23698	1.0
230.03526	1.5
233.06616	8.3
285.13431	1.9
287.59039	1.0
293.08652	2.7
303.21530	1.2
333.15399	10.6
333.19128	3.7
347.16824	1.2
465.09702	1.7
465.19537	34.4
465.26633	3.4
466.19702	4.8
466.26605	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.4
60.71196	0.4
61.98712	0.9
72.99161	0.4
78.95776	81.4
96.96833	5.1
101.02316	0.4
119.04919	0.5
124.25788	0.4
135.04462	1.0
150.97968	2.0
152.99492	100.0
153.99843	1.4
163.03909	0.9
166.93810	0.5
169.03909	0.3
171.00565	3.0
181.05017	3.1
197.12073	0.4
252.55551	0.3
311.22226	0.5
383.50500	0.4
465.22543	30.4
466.23022	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	465.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10419	0.2
55.41278	0.2
59.01259	0.9
61.98705	0.4
62.96263	0.3
65.02270	0.2
78.95776	70.5
82.50832	0.2
93.03340	0.2
96.96844	6.2
101.02289	0.3
117.03349	0.4
119.04913	1.3
119.58264	0.2
121.02858	1.3
135.04453	0.5
145.02849	2.3
146.03226	0.3
150.97935	2.1
152.99492	100.0
153.99840	1.7
163.03969	1.1
171.00560	4.0
179.03336	0.7
199.13184	0.2
204.67670	0.2
211.13361	0.5
221.19092	0.5
243.16312	0.2
265.18149	0.2
283.19247	0.4
300.95627	0.2
301.20251	0.9
311.22455	0.3
395.90784	0.2
447.23956	1.5
448.24420	0.2
465.22568	21.5
466.22806	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	465.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	8.6
56.58652	1.2
57.03320	5.1
57.79773	1.1
58.00439	1.3
59.01254	37.4
64.09600	1.2
69.03382	1.1
69.64915	1.1
70.17158	2.1
70.17567	3.9
71.01255	45.9
72.99152	1.7
73.02819	21.5
75.00737	1.9
83.01262	10.9
85.02824	25.4
85.99980	1.7
87.00748	3.3
89.02326	9.6
95.01254	4.6
97.02827	2.1
98.19909	1.5
99.00753	11.9
101.02322	35.0
111.00746	3.6
113.02331	13.5
119.03379	1.5
127.58280	1.2
131.03473	1.4
135.18878	1.1
159.02884	4.0
161.04460	16.4
164.80379	1.1
171.80701	1.2
191.05711	1.4
254.64696	1.1
314.24634	1.5
333.19180	66.2
334.19589	6.1
389.56601	1.3
465.23395	100.0
466.23856	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	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87171	1.6
57.03316	7.3
59.01253	100.0
61.98709	20.7
65.38606	1.9
68.65184	2.0
69.31034	14.0
71.01254	33.3
72.99183	3.0
73.02823	4.9
75.00746	3.7
75.36010	1.6
85.02819	6.5
87.00726	2.5
88.16820	1.8
89.02322	39.3
101.02319	20.7
105.10031	2.0
113.02332	15.1
114.39009	1.7
119.03391	14.2
131.03354	2.4
134.07283	2.0
143.03455	3.9
145.02821	2.9
148.01843	2.0
149.09634	21.1
156.33665	1.7
161.04477	10.3
161.55441	1.7
164.27338	1.6
167.10690	45.0
179.05547	15.7
225.14932	10.8
243.15999	3.0
250.39642	1.6
257.08060	2.9
285.07657	2.0
285.13541	2.0
303.08633	4.1
303.14548	2.7
356.63281	1.7
405.16574	2.8
405.21378	29.5
406.21881	3.2
429.13916	2.7
430.14392	1.9
458.53595	2.0
465.13968	2.3
465.19614	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	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50802	1.1
57.03321	5.9
58.00479	1.6
59.01252	100.0
60.01584	2.3
61.98700	5.1
69.83043	6.6
71.00420	1.2
71.01253	30.6
72.99150	1.7
73.02814	1.6
79.40801	1.1
83.01239	2.2
85.02828	3.5
87.00729	2.6
89.02320	51.2
95.01309	1.6
101.02327	16.5
109.55854	1.1
113.02338	15.4
119.03387	22.5
125.02368	2.6
131.03406	3.4
143.03384	7.3
149.04439	2.8
149.09627	15.9
150.09952	1.3
151.00247	1.4
161.04451	7.1
167.10695	37.4
168.11075	2.6
179.05530	18.6
225.14909	8.6
271.09665	1.9
285.03995	1.7
303.04837	1.6
405.21301	31.6
406.21527	3.8
465.23840	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93455	2.2
57.03316	6.5
58.00463	3.1
59.01252	100.0
61.98700	12.8
70.38410	6.5
71.01252	40.3
72.99170	5.8
85.02823	9.6
85.28514	2.2
87.00737	3.1
89.02318	54.8
94.00892	3.0
95.01249	3.1
99.04365	3.2
101.02319	27.8
113.02326	16.4
113.03028	2.9
119.03396	23.7
131.03435	2.9
143.03401	5.8
149.04486	2.5
149.09624	20.0
161.04475	8.8
167.10677	35.6
168.10942	3.4
175.57312	2.2
179.05533	20.3
225.14876	9.7
241.04803	3.6
405.21231	41.0
406.21411	3.8
465.19882	3.1
465.50244	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	7.5
61.98702	1.7
71.01247	2.4
71.50999	1.2
78.95774	83.6
85.02872	0.8
93.03337	3.5
96.96840	7.6
101.02360	1.3
108.14370	0.8
117.03332	9.7
119.04915	36.9
120.05244	2.0
121.02839	38.5
122.03232	1.2
135.04402	2.2
145.02853	84.0
146.03203	4.0
150.97873	1.7
152.99486	100.0
153.99886	1.4
161.02286	1.5
163.03906	32.9
164.04172	1.6
171.00569	3.2
174.95918	0.8
179.03384	2.1
181.04979	2.8
211.13335	1.6
221.19041	13.9
229.95406	1.1
265.18057	8.8
283.19116	12.5
284.19485	1.9
301.20200	32.5
302.20532	2.4
343.21323	3.6
447.23849	59.1
448.24164	9.9
465.22375	26.8
466.23312	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	465.262
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03812	0.7
55.68520	0.6
59.01246	2.2
59.45653	0.6
59.56006	0.6
63.78186	0.6
71.01247	0.8
76.26535	0.6
78.95779	18.7
78.96214	1.1
94.98905	0.9
101.02338	0.7
110.98420	12.8
127.11185	1.1
141.12703	0.9
155.10687	8.6
156.11140	0.7
167.01068	15.9
168.01367	1.1
171.10176	7.5
185.02158	4.9
234.19133	0.8
249.96481	0.7
279.23309	15.2
280.23557	1.4
295.22842	1.0
297.24344	100.0
298.24704	12.4
361.18069	0.8
465.26169	43.0
466.26608	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	465.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58241	0.2
55.01758	1.6
57.03319	1.2
58.00480	0.4
59.01254	60.0
60.01585	0.6
68.87261	0.2
69.26167	0.2
69.78838	1.2
71.01254	13.3
72.01600	0.3
72.99186	0.5
73.02824	5.4
75.72780	0.3
83.01265	3.0
85.02827	7.7
85.21912	0.2
85.99972	0.7
87.00774	0.7
89.02322	1.8
93.03335	0.3
95.01272	1.3
97.02831	0.5
98.20590	0.3
99.00765	2.0
99.08027	0.3
101.02326	12.7
102.02663	0.3
105.45728	0.3
111.00768	0.9
113.02338	5.8
113.19635	0.2
119.03374	0.5
129.09103	0.3
137.02342	1.5
143.03439	0.6
145.02827	0.6
159.02928	0.7
161.04466	2.4
217.30707	0.3
243.19615	1.1
285.20444	0.4
303.21872	0.3
376.52490	0.3
405.24921	3.4
406.25339	0.5
447.25998	3.8
448.26385	0.5
465.27045	100.0
466.27380	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	465.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42735	0.3
55.01754	1.4
57.03324	1.1
58.00447	0.6
58.75355	0.3
59.01250	14.5
69.03328	0.4
69.31453	1.0
69.31872	1.7
71.01253	10.6
72.99187	1.1
73.02813	4.3
83.01263	2.9
85.02821	5.8
85.99963	0.6
87.00761	0.9
89.02306	2.6
93.03345	2.1
95.01248	1.0
99.00750	1.9
101.02318	9.7
111.00773	1.1
113.02333	5.3
117.03372	2.9
119.03402	0.7
119.04883	1.6
119.83375	0.3
121.02896	0.4
125.02338	0.6
133.02841	4.1
135.04402	4.0
137.02336	4.8
143.03392	0.4
145.02847	12.0
146.03174	0.8
159.02925	0.4
161.02359	11.8
161.04515	1.1
161.11908	0.3
162.02692	1.2
163.03925	2.0
179.03435	1.7
182.35323	0.4
237.18558	0.5
257.21143	1.8
269.20999	0.4
282.78671	0.3
285.20700	1.6
303.21793	4.3
304.22330	0.4
307.08215	3.8
308.08777	0.6
311.09662	1.6
311.59668	0.7
312.07364	0.4
333.19183	1.1
333.58536	0.4
342.07715	0.4
405.24887	1.2
447.26120	2.3
461.16589	1.2
465.13910	2.6
465.27039	100.0
465.64166	1.0
466.27377	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	465.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.5
57.03328	2.5
58.00468	1.2
59.01250	23.3
59.82816	0.4
60.01591	0.8
61.98691	1.1
64.27898	0.5
69.03341	0.6
71.01254	22.1
72.99182	2.3
73.02821	9.6
75.00731	0.8
78.00959	0.4
81.03384	0.6
83.01254	4.9
85.02824	11.9
85.99987	0.7
87.00771	1.5
89.02328	3.9
93.03327	1.5
95.01269	2.0
97.02821	1.0
99.00760	3.7
99.08044	1.1
101.02325	18.5
108.52661	0.5
109.02806	0.6
111.00782	1.6
113.02333	9.3
119.03428	1.5
125.02374	0.8
129.01822	1.1
129.09111	2.2
135.04474	1.0
137.02325	3.0
140.70226	0.5
143.03354	1.0
143.10670	1.1
157.12271	0.6
159.02910	1.1
161.04491	3.3
174.12109	0.5
179.03448	0.7
179.05643	0.5
209.11798	1.7
210.12125	1.4
210.31116	0.4
211.12355	1.0
229.14404	2.9
237.18469	0.8
285.20654	5.6
301.20230	0.9
303.21799	5.6
304.22159	0.5
333.19135	2.4
365.17896	0.7
429.24866	0.6
447.26028	9.9
448.26398	1.6
465.27106	100.0
466.27515	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	467.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	3.0
57.03316	2.6
58.00451	1.6
58.77345	0.8
59.01250	46.6
61.01652	0.8
61.98691	1.1
69.31033	6.3
71.01252	48.5
72.01579	1.4
72.99168	3.3
73.02819	16.4
75.00749	1.2
77.32725	0.7
81.03317	0.9
83.01258	7.6
85.02821	19.6
86.03133	1.2
87.00732	3.9
89.02320	28.0
95.01253	3.6
97.02877	0.8
99.00746	11.9
99.08029	1.3
101.02321	37.9
102.02650	1.6
111.00740	3.3
113.02333	19.9
114.02670	0.7
119.03377	8.1
125.02293	1.7
129.01813	1.3
129.09085	1.7
131.03391	2.3
135.04489	0.8
139.00328	0.7
139.17738	0.7
143.03433	1.9
149.04417	1.9
159.02870	4.5
161.04463	10.9
173.11751	10.7
191.05405	1.1
257.84833	0.8
260.97723	0.8
334.19388	0.9
335.17072	100.0
336.17432	9.1
423.18677	0.9
467.21283	94.7
468.21472	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	467.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00929	0.4
57.03317	0.6
59.01252	2.6
61.98702	0.6
67.09987	0.3
68.99691	0.8
69.03330	1.0
71.01255	11.2
71.09212	0.8
71.20448	0.3
72.99194	0.5
73.02809	1.7
75.00716	0.4
79.22591	0.3
81.03321	1.0
82.81409	0.3
82.90389	0.3
83.01273	1.2
85.02827	8.9
89.02319	1.0
93.03349	0.5
95.01259	6.9
97.02802	0.7
99.00738	1.5
101.02331	4.5
108.02055	68.1
109.02851	41.2
110.03168	1.3
113.00677	0.4
113.02334	5.6
121.02817	0.5
122.03622	0.4
123.00774	5.1
123.04391	1.2
125.02351	1.2
125.76936	0.3
133.02834	0.6
134.19164	0.3
135.04419	0.7
137.02321	1.3
143.03386	0.9
148.02838	0.3
151.03912	1.6
159.02905	0.7
161.04456	8.0
161.05727	0.3
163.03888	0.4
183.13844	7.7
184.14313	0.3
195.13838	7.2
196.14320	0.6
209.15399	0.9
213.14908	100.0
214.15248	6.5
223.16875	0.4
227.16483	1.5
237.14935	1.4
249.15086	0.5
255.15964	1.5
267.16022	0.4
271.08057	0.5
309.17075	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.4
72.68175	0.4
78.95780	13.1
88.29546	0.5
93.73537	0.5
96.96831	0.5
97.58887	0.4
106.60838	0.5
152.99495	24.2
153.99678	0.6
171.00626	2.2
227.03200	5.7
239.20128	100.0
240.20447	10.5
245.04280	7.6
314.53516	0.4
409.56464	0.5
423.32788	7.8
424.32990	1.0
430.63931	0.5
449.30783	0.8
464.28693	0.5
467.24136	38.1
467.31482	9.0
468.24323	5.1
468.30994	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	5.0
57.03313	4.4
58.00470	1.3
59.01252	32.6
59.63421	0.9
69.03318	1.6
69.24677	4.0
69.25102	4.8
69.59930	1.0
71.01254	50.5
72.01588	1.1
72.99169	2.5
73.02818	26.4
79.39539	1.0
83.01257	12.5
85.02825	29.0
85.35280	0.9
85.65495	1.0
85.99924	1.2
87.00751	3.6
89.02317	9.7
95.01260	2.8
99.00758	13.4
101.02324	50.6
111.00781	4.0
113.02332	21.3
125.02312	2.4
141.01842	1.1
143.03410	2.2
159.02887	6.0
161.04462	15.2
162.04991	1.3
165.40280	1.0
173.15390	1.1
335.20743	63.8
336.21143	5.8
467.24966	100.0
467.65521	1.1
468.25323	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	467.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07777	0.6
55.01770	3.2
57.03318	3.0
58.00458	0.7
59.01252	24.7
61.98701	1.6
68.99691	0.9
69.03321	0.7
71.01254	34.4
72.01622	0.7
72.99171	3.1
73.02818	16.0
75.00728	0.8
78.95785	0.8
79.33552	0.6
83.01250	8.9
85.02825	20.4
85.99969	0.8
87.00756	2.6
89.02317	5.0
95.01248	3.0
97.02861	0.7
97.03979	0.6
99.00744	6.6
101.02319	26.3
103.03887	0.8
111.00759	7.5
113.02332	12.5
113.05902	0.8
114.02666	1.0
119.03376	1.3
129.01840	1.7
131.03323	0.7
131.07085	0.8
137.02292	0.9
141.01849	0.7
143.03372	1.1
149.04395	0.7
157.42505	0.6
159.02876	2.7
159.78964	0.6
161.04413	4.0
171.13776	3.6
173.11681	4.9
184.87019	0.6
201.14891	2.9
215.11856	1.3
215.16505	1.2
229.54774	0.7
243.11412	3.1
303.21832	4.3
304.21875	0.8
305.23331	14.7
306.23456	1.1
317.16052	0.9
319.88257	0.7
335.17053	4.8
335.20859	1.6
371.91000	0.7
465.27167	2.0
467.21494	9.7
467.28540	100.0
468.22229	1.9
468.28836	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	467.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.6
56.43839	0.3
57.03326	2.0
58.00455	1.0
59.01254	14.8
60.01603	0.4
61.98689	0.8
66.91367	0.3
69.03320	0.5
69.21913	0.3
71.01254	21.9
71.04887	0.6
71.51789	0.5
72.01586	0.6
72.99194	2.0
73.02821	9.0
75.00747	2.1
82.23530	0.3
83.01265	6.7
83.04877	0.4
85.02824	14.1
85.99953	1.0
87.00767	2.5
89.02322	2.8
90.83097	0.3
93.03337	0.5
95.01265	2.0
97.02818	0.6
97.06451	0.6
99.00755	4.7
101.02323	19.7
101.58767	0.4
102.02643	0.4
108.02036	0.4
109.02820	0.4
111.00772	5.5
113.02332	8.3
113.06004	0.5
114.02678	0.3
119.03383	1.0
121.02852	0.4
122.02318	0.5
124.03944	0.9
125.02320	1.2
129.01828	1.1
131.06995	0.6
135.04395	0.5
137.02333	0.6
139.03914	1.1
141.01845	0.5
143.03360	0.6
145.02859	0.9
149.04445	0.4
150.01782	0.3
159.02890	1.8
161.04483	3.6
171.10188	0.5
171.13838	2.3
179.05444	0.3
201.14935	2.9
219.11365	0.4
231.15953	0.6
247.10796	2.8
251.20114	0.4
257.09256	1.2
263.16803	0.4
275.10336	1.8
303.21808	3.0
304.22183	0.5
305.11456	6.2
305.15073	0.6
305.23334	14.3
306.11758	0.6
306.23572	0.6
340.13193	0.3
449.27377	0.4
465.27026	1.3
467.28595	100.0
468.28931	14.2
494.82227	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.7
57.03323	1.0
58.00467	0.5
59.01250	100.0
60.01590	1.4
61.98704	2.6
69.23214	2.8
71.01253	12.0
72.99186	0.4
73.02818	3.9
78.95794	1.2
83.01248	2.3
83.04897	0.3
85.02819	6.9
87.00768	0.7
88.15945	0.3
89.02322	2.1
93.03362	1.1
95.01266	1.0
97.02815	0.4
99.00770	2.0
101.02322	11.0
102.02676	0.4
103.03908	1.4
111.00781	1.2
113.02324	5.4
113.03049	0.3
114.34574	0.3
115.03924	0.3
119.03412	0.7
119.04917	1.1
125.02411	0.5
129.01878	0.6
137.02316	2.4
138.02670	0.6
139.02896	0.4
139.03903	0.4
143.03496	0.6
145.02888	1.1
152.99521	1.2
159.02884	1.8
161.02388	0.5
161.04463	9.0
163.03929	1.0
163.65791	0.3
171.10074	0.4
179.03400	0.5
179.05551	0.4
193.05116	0.3
198.12427	0.3
199.52196	0.3
205.03406	0.5
206.52618	0.4
221.11919	0.7
224.71324	0.4
228.67587	0.3
239.12756	1.5
245.21263	0.7
250.44891	0.3
335.20734	2.2
368.11841	0.3
407.26468	23.8
408.26749	2.7
412.45825	0.4
443.98959	0.3
467.17535	2.3
467.27905	3.7
468.27777	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.98698	8.2
71.01248	11.9
72.99191	0.7
73.02810	4.3
77.59486	0.7
78.16087	0.7
78.95773	1.5
79.19916	0.6
83.01241	1.6
85.02817	6.7
87.00751	0.7
89.02330	2.6
93.03335	4.4
94.03683	1.4
95.01302	1.1
98.20573	2.8
99.00781	2.3
101.02321	11.2
113.02343	6.8
119.04884	1.3
121.02853	2.1
137.02330	5.6
138.02707	1.7
139.02850	1.6
139.03902	15.7
142.51149	0.8
143.03426	1.5
145.02910	1.5
152.99527	1.7
157.22285	0.7
159.02876	1.6
161.04457	11.1
163.03938	1.4
167.03397	0.9
221.11630	0.8
227.03406	0.9
229.48885	0.8
239.12903	1.7
245.21291	1.0
407.26468	25.5
408.26831	4.4
463.81284	0.7
467.16016	6.1
467.27872	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	467.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17302	0.3
53.85322	0.2
55.01750	2.5
57.03315	2.4
58.00455	1.1
59.01252	16.1
61.98696	1.3
67.08381	0.2
68.99658	0.3
69.03304	0.6
71.01253	24.7
71.04881	0.4
71.52218	0.3
72.01602	0.5
72.99183	2.2
73.02816	10.2
75.00744	0.7
78.95733	0.3
83.01250	6.3
83.04878	0.7
84.02055	0.4
85.02821	14.7
85.99962	1.0
86.03120	0.4
87.00750	2.2
89.02314	4.7
90.02670	0.3
93.03335	0.3
95.01255	2.7
97.02808	1.0
97.06479	0.4
99.00755	5.9
100.01092	0.4
101.02322	21.9
101.05926	0.7
102.02657	0.6
103.03892	0.6
109.59657	0.3
111.00764	6.2
113.02328	11.1
114.02673	0.3
119.03427	1.3
124.01489	0.4
125.02317	1.1
125.62521	0.3
129.01797	1.3
131.03384	0.4
131.07010	0.7
135.04404	0.6
137.02318	0.6
141.01804	0.8
141.12759	0.4
143.03403	0.5
145.02840	0.6
149.04388	0.5
152.99445	0.3
159.02881	2.7
161.02330	1.0
161.04449	4.0
161.08015	0.5
171.10194	0.4
171.13799	2.4
173.11742	4.2
179.03493	0.4
179.05530	0.3
191.05392	0.3
200.09358	0.4
201.14911	2.4
213.06557	0.5
215.11780	1.8
225.10057	0.4
225.18469	0.3
227.16380	0.4
243.11340	3.3
244.11409	0.3
251.20074	0.3
287.10324	0.7
303.21759	3.9
304.22198	0.5
305.11417	0.9
305.23312	13.6
306.23630	1.9
317.16077	0.5
335.17145	6.3
335.20804	0.8
336.17325	0.5
349.12677	0.3
449.15482	1.1
449.27573	0.5
465.27072	2.7
465.66504	0.3
467.21420	13.4
467.28500	100.0
468.21674	1.5
468.28876	13.4
468.34061	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3169
Annotation	Euscaphic Acid F
Peak:m/z	Relative Intensity
59.01256	0.4
69.49758	1.7
69.50165	0.7
78.95776	0.4
152.99583	0.4
170.41830	0.4
170.83653	0.4
217.16017	0.4
253.21776	0.5
257.08707	0.4
287.20331	2.2
288.20270	0.5
370.80670	0.4
390.25497	0.4
391.26358	7.5
392.26654	1.3
393.27902	0.4
405.27887	3.4
406.28256	0.8
407.29761	3.5
408.30237	0.6
421.31122	80.4
422.31461	15.0
423.32529	2.1
467.31641	100.0
468.32019	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	468.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94609	0.5
50.98782	0.5
53.28844	0.6
57.03331	1.4
59.01257	2.9
61.98702	2.9
69.30236	4.3
69.30649	1.2
71.01244	3.2
72.99155	0.8
75.00753	0.8
78.95796	0.9
80.33203	0.6
83.01266	0.8
85.02831	1.1
88.03912	3.6
89.02330	1.3
98.19738	1.4
99.04432	0.8
101.02377	1.7
112.03938	1.3
113.02332	1.0
119.04918	83.0
120.05265	2.4
125.02333	0.7
130.05019	3.9
133.62086	0.7
137.02362	1.4
145.02808	0.6
152.99451	1.2
163.03922	100.0
164.04305	4.3
169.12222	0.7
205.06540	0.8
224.06183	0.7
244.06027	0.8
282.06952	0.9
300.76465	0.7
325.09299	12.3
326.09595	1.6
438.13989	5.2
468.15488	7.3
469.14661	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	469.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26337	1.1
55.01766	6.3
57.03325	7.3
59.01256	9.6
60.99179	1.6
68.99680	9.8
69.46239	7.7
71.01258	25.9
72.99187	13.0
73.02795	3.0
75.00369	1.6
75.00728	7.3
75.02458	3.0
83.01259	19.6
84.99182	3.1
85.00908	7.1
85.02819	11.7
87.00747	5.5
88.98679	3.8
89.02278	1.6
96.99196	2.2
98.20528	2.7
99.00761	33.6
99.02445	2.8
99.99654	1.3
100.01092	1.6
100.98691	2.5
101.02316	4.1
111.00771	37.4
112.01128	1.8
112.98694	84.4
113.02341	2.3
113.99039	2.1
114.98323	3.3
115.00279	12.1
115.01984	3.0
117.01822	9.7
124.98645	3.4
127.00259	3.2
127.01961	1.5
128.03400	2.1
129.01830	16.9
129.03447	1.5
141.19968	1.3
142.99757	16.0
143.01474	5.0
143.03380	4.1
145.01335	88.1
146.01700	2.9
154.99689	2.0
157.01295	4.2
171.00981	9.5
173.00835	23.0
187.02380	4.8
187.04095	1.9
199.00488	3.5
201.01991	1.8
203.03629	1.9
205.03516	6.9
213.02045	1.5
231.03185	11.1
245.04700	2.9
263.05780	55.2
264.06073	2.9
359.04742	1.4
365.09052	4.5
387.03537	1.5
391.06903	4.2
393.08313	1.5
409.07831	5.3
419.06622	2.5
425.11316	1.9
437.07416	1.7
451.08987	10.9
452.09500	2.2
469.10031	100.0
470.10287	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	469.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13503	3.2
57.03320	5.1
57.33090	3.2
59.01255	16.0
68.99688	7.9
71.01260	36.8
71.50153	3.6
72.99177	17.0
75.00758	9.2
75.02464	7.7
83.01267	28.7
85.00868	3.3
85.02829	8.4
87.00777	7.5
88.98652	5.5
89.02324	12.0
96.47484	3.0
99.00755	24.9
101.02322	24.2
111.00778	38.1
112.98695	80.2
113.02302	3.8
115.00243	16.8
117.01849	9.2
123.65349	3.0
124.98671	4.9
127.00306	9.0
129.01846	14.2
142.99765	16.1
143.01477	5.7
145.01337	95.0
146.01628	6.5
157.01312	4.9
161.04482	3.9
171.00981	12.3
173.00864	21.6
175.02580	3.5
179.05498	3.7
187.02422	6.7
195.71085	3.3
205.03448	7.7
231.03149	5.8
234.16270	4.0
263.05795	44.6
264.06165	4.0
307.06854	9.3
409.09256	3.4
451.09100	6.3
469.10120	100.0
470.10358	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	469.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56273	0.3
55.01757	0.5
57.03324	16.6
59.01254	5.9
61.98698	1.1
67.44614	0.4
69.84100	1.4
69.84502	0.7
71.01254	6.4
72.99191	0.4
73.02818	1.9
75.00732	0.3
78.95789	0.6
81.03332	0.5
83.01257	1.0
85.02814	2.2
87.00728	0.6
87.97910	0.4
89.02317	3.4
93.03364	0.5
95.01267	0.5
98.19886	0.7
99.00760	3.1
99.04394	4.3
101.02323	7.5
113.02332	2.9
118.17228	0.4
119.04915	88.6
120.05233	3.9
120.99526	0.7
125.02349	3.3
131.03418	0.4
133.06470	0.4
135.04399	0.4
143.03429	0.5
145.02855	0.8
159.02925	0.4
161.02376	0.8
161.04504	1.3
163.03917	100.0
164.04233	4.5
175.13290	0.5
179.03450	0.6
191.05714	0.5
205.04962	0.6
295.93256	0.4
307.08221	0.7
325.09250	7.5
326.09628	0.6
337.18616	4.7
367.10297	2.7
407.13235	0.6
469.12866	2.8
469.22864	8.6
469.32892	0.7
470.23203	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58285	0.1
58.00472	1.0
59.01247	0.4
69.26517	0.9
71.01238	0.3
71.04890	0.4
72.50686	0.1
73.02799	0.4
78.30627	0.1
85.64913	0.1
95.04892	0.2
97.06468	1.5
98.19820	0.2
102.67242	0.1
104.42535	0.1
105.75452	0.1
137.71284	0.1
153.09148	0.3
169.63072	0.1
188.46602	0.1
203.14081	0.1
244.50462	0.1
253.15887	0.1
307.23657	0.1
321.22351	0.2
349.29102	0.2
359.27588	0.1
372.24304	0.3
373.25235	0.2
374.26309	0.4
375.26794	0.2
381.27945	0.3
387.30759	0.8
389.23434	0.2
389.28497	4.2
390.28818	0.5
403.29953	0.5
405.32016	1.0
406.28674	3.9
407.29269	1.7
408.30545	0.1
409.31754	0.1
413.30798	0.2
421.31326	2.6
422.31393	0.5
423.32718	9.2
424.32999	1.7
425.57349	0.1
439.28549	1.2
440.28592	0.2
449.30566	0.8
450.30780	0.1
451.32336	0.2
455.31314	0.5
467.31683	2.1
468.32047	0.6
469.33218	100.0
470.33566	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	469.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.5
57.46738	0.4
60.30229	0.3
66.78153	0.3
69.03358	0.5
87.25426	0.4
89.33938	0.4
98.19759	0.8
147.20857	0.4
151.20232	0.3
369.28049	0.4
405.31689	0.8
406.18704	0.4
407.29413	0.8
409.31149	4.1
410.31476	0.6
423.32715	2.7
425.34244	13.7
426.34634	2.3
434.45303	0.4
451.32031	1.1
469.33218	100.0
470.33563	19.8
470.40472	0.6
474.22150	0.4
486.06628	0.4
490.46497	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3323
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
57.03312	0.3
57.24259	0.2
70.99787	0.4
71.04903	0.4
87.96054	0.2
92.59518	0.2
215.14343	0.4
289.21768	0.7
392.27240	0.3
393.27960	3.5
394.28400	0.7
407.29523	4.1
408.29852	0.6
409.31204	2.5
410.31363	0.7
423.32693	73.6
424.33002	14.7
425.34293	2.5
426.35043	0.3
469.33215	100.0
470.33557	20.7
471.50085	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3323
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
52.48612	0.3
57.79646	0.3
59.01241	0.4
59.80000	0.3
60.99163	0.5
69.33205	2.1
71.04900	0.7
74.77878	0.3
85.06470	0.8
85.63105	0.3
97.06479	1.7
98.20569	0.7
145.85556	0.3
165.42775	0.3
375.26895	0.6
389.28519	0.9
391.30084	4.0
392.30484	0.9
393.31625	6.5
394.31943	0.8
400.49484	0.3
405.31815	0.4
413.33673	0.3
423.32959	4.8
424.33084	1.0
425.30457	1.8
437.30597	11.8
438.30841	2.1
439.32092	3.0
451.32349	0.5
469.33228	100.0
470.33566	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	469.3323
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
60.99176	3.8
71.04926	0.2
76.98691	0.4
79.82227	0.2
81.74876	0.2
97.06474	1.2
98.20605	0.4
99.08071	0.4
146.08980	0.3
150.55290	0.3
155.10710	0.6
157.88060	0.3
173.09641	0.4
254.48570	0.2
265.60577	0.2
305.22690	0.3
315.23392	0.5
319.21057	0.3
319.30688	0.3
321.22482	0.2
373.25211	0.3
375.26978	0.4
389.28656	1.2
390.28183	0.3
391.30109	0.6
403.30255	0.5
405.31662	5.5
406.32007	0.9
407.33292	2.0
408.33618	0.5
421.31110	0.8
423.32727	0.7
424.33127	0.3
425.34274	0.6
437.30576	0.6
439.32346	1.7
440.32327	0.5
451.32257	1.8
452.32529	0.5
469.33276	100.0
470.33603	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	469.3322
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
52.56157	0.2
58.41466	0.2
66.74011	0.2
70.72102	0.5
78.95753	0.2
94.15736	0.2
199.02637	0.2
252.63445	0.2
255.23253	0.5
391.77319	0.2
423.32745	0.4
425.34412	0.4
439.32385	0.9
451.24304	0.4
469.33203	100.0
470.33551	19.0
490.47507	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3324
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
56.40819	0.1
69.20994	1.1
69.21410	0.4
78.95776	0.4
114.37027	0.1
120.96874	0.1
127.27283	0.2
143.47084	0.2
174.82329	0.2
224.17398	0.2
255.23280	1.7
421.31216	0.2
423.32925	0.2
451.24387	0.8
469.33203	100.0
470.33533	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.6
57.03302	0.3
59.01250	4.6
61.98710	1.1
69.18243	1.4
69.18665	0.8
71.01256	3.4
72.63242	0.2
73.02821	0.9
74.95743	0.2
83.01254	0.2
85.02830	1.1
87.00787	0.3
89.02319	2.4
91.28761	0.2
93.03329	0.8
99.00758	7.5
101.02333	2.3
106.41139	0.2
113.02343	2.0
117.03352	13.6
118.03666	0.7
119.04916	100.0
120.05253	4.9
121.02785	0.2
143.03404	0.3
145.02855	63.9
146.03197	3.2
147.04398	0.5
159.02858	0.2
159.04337	0.3
159.70277	0.2
161.04466	1.2
161.05986	1.0
163.03917	59.8
164.04253	3.3
177.05484	0.8
178.76041	0.3
179.05524	1.0
187.03932	0.9
189.05589	0.3
205.05016	0.6
211.13367	0.6
229.57510	0.3
247.06120	0.6
265.07181	0.5
307.08218	43.5
308.08557	4.2
371.20718	0.8
471.12939	16.0
471.35629	0.3
472.13257	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	471.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.5
59.00951	0.8
59.01250	13.5
61.98699	1.1
62.05758	0.4
71.01255	3.4
73.02824	0.8
78.95783	0.9
85.02836	1.2
87.00751	0.5
89.02322	2.4
93.03320	0.9
93.39249	0.4
95.01238	0.3
98.19711	0.7
101.02332	2.4
113.02327	2.1
117.03343	14.8
118.03701	0.6
119.04916	100.0
120.05261	4.3
137.02393	0.4
145.02855	67.4
146.03178	3.4
148.45694	0.4
152.99512	0.7
161.02420	0.4
161.04504	0.7
161.05978	0.9
163.03918	55.8
164.04256	2.8
179.05525	0.6
187.03960	0.7
205.05099	0.5
211.13347	5.4
212.13678	0.4
229.83780	0.4
231.13867	0.6
249.15002	0.8
291.19452	0.4
307.08231	37.7
308.08627	3.6
344.82391	0.4
411.19769	0.5
453.35611	0.4
471.13049	13.7
471.20035	2.3
471.26053	0.7
471.35071	1.2
472.13144	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1638
Annotation	C1'-C9-Glycosylated UWM6
Peak:m/z	Relative Intensity
56.95209	1.0
57.03318	1.6
59.01249	31.6
61.98689	4.3
69.29764	6.7
69.30165	2.5
71.01248	8.9
71.04872	1.9
72.99226	1.1
73.02840	1.5
75.00743	1.7
78.95773	86.3
80.02552	2.3
81.03332	3.9
83.01279	1.5
83.04886	5.9
85.02824	3.5
89.02305	6.9
93.03323	1.7
96.95904	2.3
96.96833	7.4
97.02827	7.6
97.06473	1.9
99.00745	7.1
99.04362	1.0
101.02323	5.4
106.04118	1.4
107.04885	2.1
109.06473	44.8
110.03583	2.8
110.06777	2.2
113.02319	3.5
117.03359	2.2
119.03433	2.2
119.04897	13.8
120.05219	1.1
121.06476	3.5
125.09628	2.2
131.16675	1.0
135.04431	1.6
135.08060	5.2
136.05226	1.7
137.02332	2.6
141.09126	2.6
142.02644	3.3
145.02837	8.7
152.99487	85.5
153.99759	1.9
161.02481	1.3
161.04417	2.8
161.09636	4.0
163.03903	7.0
163.11179	23.0
171.00549	15.3
171.10176	3.7
179.03372	1.2
181.12247	15.2
185.11755	4.8
189.09264	1.3
197.11827	2.6
199.13335	7.8
207.10196	76.6
208.10542	4.9
225.11275	60.5
225.13568	1.9
226.11670	4.7
227.03229	7.1
237.33514	1.1
243.12338	14.2
244.12759	1.6
245.04276	4.6
260.35895	1.1
307.08163	4.6
361.10648	1.6
379.11734	2.3
391.97308	1.3
453.15274	100.0
454.15662	11.5
471.16306	20.5
471.34860	4.3
472.16708	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	471.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.9
58.00439	2.1
59.01249	55.2
61.98702	1.9
67.76712	1.8
69.26519	12.9
71.01257	34.2
71.04907	1.8
72.99179	3.1
73.02826	10.3
83.01237	2.1
83.04886	1.8
85.02831	11.2
87.00748	1.8
89.02319	39.5
99.00762	34.4
101.02335	20.0
113.02335	23.2
119.03396	12.2
119.04897	3.5
131.03371	4.7
133.22833	1.8
143.03323	2.2
147.96024	1.6
149.04453	21.6
157.08618	2.8
161.02318	2.2
161.04468	11.4
163.03951	2.2
164.20164	1.6
171.10176	3.7
173.05983	1.7
179.05464	4.0
187.11275	1.6
191.05569	17.0
193.77051	1.5
233.06641	6.1
273.18430	2.2
291.19656	6.8
309.20856	5.9
435.22360	100.0
436.22610	11.1
453.30106	1.9
471.20160	4.6
471.25934	39.4
471.34634	17.0
472.26556	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	471.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.7
57.03336	2.8
58.00465	1.3
59.01251	19.1
69.03339	1.0
71.01254	19.6
71.04872	1.6
72.02287	0.5
72.99170	1.5
73.02809	1.9
78.95747	0.6
83.01245	1.0
83.04879	1.2
84.28608	0.5
85.02827	4.0
87.00735	1.3
87.81838	0.5
89.02309	7.3
92.43278	0.6
95.01260	1.4
97.06467	1.1
97.41138	0.6
99.00770	1.5
100.51131	0.5
101.02317	7.9
111.08051	0.8
113.02330	5.0
114.58742	0.5
119.03397	3.0
121.06409	0.6
137.09587	0.6
139.11154	1.0
141.86555	0.5
143.03412	0.8
151.11171	5.7
169.12239	1.3
171.10193	0.8
175.61861	0.7
181.12247	1.1
193.12215	0.9
195.13829	1.0
197.11772	10.7
198.11980	0.7
199.13382	2.6
211.13339	33.2
212.13689	2.5
221.11732	0.7
223.13405	0.8
233.15508	0.6
235.13457	0.7
243.51904	0.5
247.20662	0.6
253.14371	0.7
257.15298	0.7
263.20065	0.7
273.18591	1.4
291.19659	40.1
292.19931	3.7
293.21146	0.8
309.20779	4.3
321.40619	0.5
339.23044	0.6
361.18671	1.3
387.25366	1.9
399.25601	0.8
471.25882	100.0
471.32013	5.4
472.26251	14.4
472.31958	0.7
480.76422	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.7
57.03321	2.7
58.00455	2.2
59.01250	45.9
59.85540	0.6
63.57458	0.5
71.01250	27.6
71.04899	0.9
72.01567	0.7
72.99178	2.9
73.02827	1.0
75.00755	0.7
78.95778	0.6
82.00960	0.6
83.01244	2.0
83.04895	0.5
84.02055	0.7
85.02822	6.5
87.00762	1.5
89.02320	19.6
95.01266	2.0
99.00755	0.9
101.02320	16.1
113.02328	8.6
119.03394	8.4
119.04871	0.9
127.27129	0.6
131.03423	0.9
132.13077	0.5
143.03500	0.7
161.04449	0.9
171.10229	0.9
179.05479	0.6
195.13754	0.7
211.13315	0.7
223.13278	0.8
229.19511	1.2
247.16940	1.4
251.16536	0.8
265.18036	5.2
273.18625	2.8
291.16376	1.2
291.19638	25.6
292.20065	3.4
309.20673	3.1
310.21317	1.0
325.23944	0.6
471.25949	100.0
471.34189	4.9
472.26309	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	471.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.6
58.00459	2.5
59.01250	33.4
67.01650	0.6
69.03333	0.8
71.01250	27.4
71.04879	1.6
72.99174	2.8
73.02817	3.0
75.00756	0.8
83.01250	1.3
83.04881	1.3
84.82162	0.7
85.02821	5.3
87.00743	2.1
89.02317	20.9
95.01275	1.1
97.06486	1.5
101.02331	10.0
104.22034	0.6
107.18507	0.7
107.70036	0.9
111.08046	2.8
111.18845	0.7
113.02338	8.2
119.03410	5.3
125.09606	0.9
135.04407	0.7
135.08125	0.7
143.03371	0.9
149.04631	0.7
159.06575	0.7
161.02397	0.9
161.04390	1.2
165.12752	29.0
166.13148	1.4
167.14333	1.2
179.03436	1.8
179.05556	1.9
183.13826	100.0
184.14169	6.3
191.10680	0.8
195.13904	1.7
197.15396	21.2
198.15785	1.1
207.13869	1.3
209.11797	5.5
225.14934	5.2
227.12825	9.3
229.18549	0.6
241.14391	1.9
405.39896	0.8
407.29437	2.2
409.31134	2.1
425.30643	1.1
427.32077	2.4
438.31519	1.5
453.24612	0.9
453.29504	4.2
471.25958	71.7
471.34698	49.7
472.26120	10.6
472.35913	7.3
476.34558	0.7
498.74945	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3116
Annotation	Camphoratin B
Peak:m/z	Relative Intensity
59.01223	3.2
61.98676	1.5
69.36413	4.9
69.36832	1.3
71.01220	0.9
71.04909	1.7
72.99194	1.3
76.81187	0.8
81.03278	0.8
85.02786	0.9
97.02764	0.8
102.80318	0.7
109.06418	0.8
152.99428	1.3
161.02235	0.8
171.10072	1.3
253.18156	0.7
275.39011	0.7
389.28531	0.9
391.29941	1.3
407.29144	0.9
409.31213	1.3
411.28735	2.1
425.30600	6.8
427.31885	1.8
453.29895	12.4
454.29944	2.7
471.30768	100.0
472.25479	1.1
472.31256	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	471.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88418	0.5
60.48870	0.4
60.99167	1.0
71.04907	0.8
96.27652	0.4
97.06459	3.4
137.09557	0.5
230.79179	0.5
253.66248	0.5
389.28259	1.1
391.30066	3.5
405.31644	4.2
406.31821	0.9
407.33154	10.1
408.33398	1.7
411.94702	0.5
423.28680	0.9
439.32202	1.2
441.33667	2.1
451.32123	9.3
452.32434	2.2
453.33734	44.2
454.34106	8.6
471.34787	100.0
472.35138	20.4
472.40277	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17724	0.4
60.20735	0.4
60.99183	0.6
70.01751	2.1
71.04903	0.7
73.01266	0.6
91.65594	0.4
97.06464	4.1
120.95377	0.4
148.20856	0.5
163.55322	0.4
198.32213	0.4
221.18594	0.5
331.64462	0.5
389.28690	0.9
391.30014	5.1
391.34607	0.7
392.30560	0.6
405.31735	4.9
406.31958	0.8
407.33185	12.0
408.33444	2.4
411.32745	0.4
423.28952	1.4
439.31842	0.6
441.33618	1.1
442.34402	0.6
451.32178	12.7
452.32776	2.5
453.33752	49.4
454.34155	9.4
471.34784	100.0
472.35138	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	471.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87167	0.2
62.61316	0.3
98.20650	0.6
163.62830	0.3
283.26184	0.3
327.17657	0.3
393.31628	0.8
423.32767	1.1
424.32986	0.4
471.34787	100.0
472.35132	23.0
472.42368	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26267	0.3
60.99174	1.6
63.33061	0.3
69.03320	0.4
69.37656	2.1
71.04900	0.5
71.80185	0.3
83.04902	0.6
97.06483	0.9
98.20525	0.6
149.09486	0.3
149.28633	0.3
180.57794	0.3
182.26485	0.3
203.33464	0.3
345.74075	0.4
375.27209	0.3
377.28467	0.5
391.30038	1.4
405.31445	0.4
407.33218	13.8
408.33575	2.7
409.31064	1.3
410.31171	0.4
411.32776	2.5
423.32935	0.5
425.34735	2.2
426.34610	0.4
427.35861	2.6
439.32025	0.4
451.32492	0.5
453.34158	1.4
469.33057	0.6
471.34808	100.0
472.35184	21.3
494.70483	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60370	0.3
55.88409	0.3
59.99128	0.3
71.22558	0.5
71.22891	0.4
72.48249	0.3
75.59911	0.3
84.74662	0.3
93.93604	0.3
115.02602	0.3
135.41687	0.3
141.01756	0.3
203.00224	0.3
219.23544	0.3
401.30569	0.4
453.33646	2.1
454.33957	0.5
471.34799	100.0
472.35156	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12227	0.2
59.65042	0.2
63.44350	0.2
70.24893	0.2
70.25225	0.6
114.95338	0.2
120.21310	0.2
154.27373	0.2
246.85419	0.2
423.32864	0.3
471.34787	100.0
472.35129	18.0
474.26883	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09418	0.2
59.97635	0.2
62.11354	0.2
70.01992	0.4
70.02362	0.4
130.59926	0.2
149.24864	0.2
201.87587	0.2
211.10875	0.2
407.33313	1.1
408.33322	0.2
471.34784	100.0
472.35135	21.5
482.30237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3479
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
58.18486	0.3
70.80959	0.5
70.81316	0.2
84.11219	0.3
104.56784	0.3
137.01393	0.2
174.58234	0.3
275.62320	0.3
441.58737	0.3
471.34775	100.0
472.35150	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	471.348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	1.1
59.95462	1.0
60.99178	15.4
69.03326	12.1
70.28344	3.8
71.04885	2.7
76.98658	1.0
80.02538	1.6
98.20420	1.1
131.08514	1.4
137.09584	1.8
149.09589	1.6
150.60194	1.0
335.30069	1.0
347.27319	0.9
353.29276	1.0
361.25372	1.7
371.25827	2.3
372.26324	1.4
375.27158	3.0
377.28543	2.2
391.30115	15.2
392.30371	3.4
393.31577	2.4
399.29059	1.2
405.31635	1.8
407.33185	100.0
408.33511	19.0
409.34763	12.4
410.34857	2.0
421.30957	1.5
423.32764	3.8
427.36130	8.6
428.35846	2.1
437.30536	3.0
441.33859	6.7
453.33948	21.0
454.34592	4.6
459.34753	1.4
471.35092	89.4
472.35455	20.1
485.32840	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	471.3481
Annotation	Hispidone
Peak:m/z	Relative Intensity
59.01238	0.5
71.22906	0.6
82.69853	0.3
107.29843	0.3
355.26337	0.6
427.35602	0.6
453.33893	0.4
471.34802	100.0
472.35159	21.7
472.42319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	2.1
61.98705	0.6
64.82434	0.5
68.18999	0.5
71.13435	0.5
71.51678	0.6
79.00099	0.4
83.04890	0.8
98.05972	0.6
128.98914	0.5
171.14667	0.5
191.10902	0.5
219.13745	0.6
253.17957	0.6
258.34692	0.5
369.24646	0.5
409.31158	0.7
427.32248	0.9
471.35638	100.0
472.36008	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	471.348
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
53.10202	1.6
59.01242	2.3
61.98683	2.7
66.99824	1.5
69.44445	10.1
69.44860	2.5
92.03654	1.3
96.95904	1.6
107.23533	1.3
121.18619	1.3
234.92805	1.5
266.48904	1.5
325.14502	1.6
384.05759	1.5
471.34796	100.0
472.35025	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	5.5
57.03327	5.4
58.00447	2.4
59.01249	73.3
61.98691	1.5
65.03860	0.8
66.29366	0.7
71.01254	40.2
72.99163	3.9
73.02815	17.7
75.00727	1.8
78.95766	2.8
81.03335	1.9
83.01257	86.5
83.04853	1.1
84.01579	1.9
85.02822	11.4
87.00745	6.1
87.04379	5.1
89.02316	23.8
95.01239	2.9
96.95916	0.8
97.02817	2.3
98.19829	1.8
99.00765	11.1
99.04391	2.4
101.02321	88.8
102.02648	1.9
111.00771	1.3
113.02336	15.4
115.03913	1.7
119.03386	7.9
119.04826	1.1
121.02810	1.4
121.10088	1.1
125.02357	4.1
127.00261	51.9
128.00632	1.1
133.02849	1.9
135.04411	2.9
143.03360	2.1
145.02777	1.3
149.05977	0.9
152.31749	0.8
152.99492	2.3
161.02356	4.9
161.04417	3.9
163.03842	1.8
164.04675	1.9
165.09134	9.7
169.12222	0.8
175.69351	0.9
179.03381	1.9
179.05545	1.5
183.10141	2.7
209.11765	3.1
225.11383	1.0
233.15578	1.1
307.07886	0.8
310.42029	0.9
327.14499	9.0
328.14709	1.4
345.15530	41.6
346.15851	4.2
346.19598	0.9
413.21780	1.9
429.17566	11.3
430.17697	1.3
443.12405	0.9
455.16660	7.8
473.16568	100.0
474.17004	13.3
492.82370	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	2.8
59.00956	2.5
59.01249	44.1
68.95060	1.6
70.77506	1.3
70.80195	4.1
71.01255	23.6
72.99178	2.5
73.02821	11.3
83.01260	34.5
85.02814	7.3
86.03152	1.3
87.00742	6.2
87.04382	2.5
89.02316	15.6
93.03354	4.3
93.23904	1.5
99.00747	6.4
101.02324	45.7
112.36848	1.5
113.02328	9.1
117.03342	18.6
119.03398	5.7
119.04901	15.7
121.02803	2.5
127.00263	19.1
133.06474	1.4
134.03610	3.9
145.02846	69.0
146.03160	4.1
160.01582	6.6
161.04475	5.8
161.05917	3.0
163.03926	22.4
165.07689	2.2
175.03947	8.5
177.05547	1.7
183.10172	3.1
193.04959	4.9
205.05019	5.8
256.07520	1.6
265.07321	2.1
269.04510	7.2
272.62546	1.7
289.45529	1.8
315.06540	1.5
345.15457	7.4
400.28961	1.4
425.17426	1.7
427.06641	1.9
431.15543	2.2
473.16644	100.0
474.17093	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	473.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32058	0.2
57.03308	0.4
59.01252	11.7
61.98698	0.8
70.44164	0.2
71.01254	5.3
72.99179	0.6
73.02827	1.4
75.00736	0.4
78.95787	0.4
81.03350	0.2
83.01247	1.3
85.02818	4.6
85.03297	0.4
87.00745	0.8
89.02318	2.1
93.03326	1.2
95.01270	0.3
99.00780	0.7
99.04371	0.2
101.01698	0.4
101.02329	4.3
101.82101	0.2
107.04913	1.1
108.02007	0.5
108.05295	0.2
113.02351	2.1
117.03323	0.3
119.03390	0.7
119.04865	0.3
121.02848	0.7
122.03617	0.3
123.04452	0.2
124.01562	0.9
125.02351	0.5
132.02065	0.6
134.03639	0.8
135.04448	1.1
136.44711	0.2
137.02361	0.5
143.03435	1.2
145.02861	1.1
147.04424	0.9
148.05200	0.9
149.05984	100.0
150.06325	5.7
151.03915	0.3
152.99478	0.6
159.02852	0.3
160.01590	1.8
161.02336	0.4
161.04474	1.9
164.04683	0.4
165.01868	0.5
169.36693	0.2
175.03934	2.4
179.05551	0.7
179.06999	0.4
179.10638	0.2
191.06982	0.3
193.05003	1.6
199.13396	0.3
227.12889	1.0
235.06068	0.5
269.10300	0.9
311.11362	11.9
312.11703	1.3
313.28503	0.2
349.82904	0.2
396.22006	0.2
413.14349	0.3
413.21872	0.2
431.15576	2.0
432.16074	0.3
455.16739	1.6
473.16394	2.7
474.16907	0.3
492.83621	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35295	1.9
55.01752	6.9
57.03317	4.2
57.65952	1.6
58.00435	2.6
59.01252	100.0
61.98701	4.2
69.03310	1.9
71.01258	40.2
72.99184	3.0
73.02821	20.4
75.00761	2.5
78.95779	3.0
82.42361	2.1
83.01256	75.1
84.01596	3.6
85.02821	10.5
85.85611	1.7
87.00744	6.7
87.04384	5.2
89.02319	29.9
95.01255	6.5
97.02839	1.9
99.00762	12.6
101.02323	86.4
113.02333	18.7
119.03392	10.5
119.04925	2.4
121.10114	2.4
125.02347	4.4
127.00271	48.7
135.04388	4.2
145.02855	3.3
149.04443	2.3
149.05937	2.1
152.99515	2.2
161.02362	2.1
161.04446	7.5
163.03963	2.4
164.04707	21.9
165.09109	7.8
179.03555	1.9
179.05588	3.3
179.06990	17.9
183.10150	3.9
199.13266	2.6
209.11720	7.0
227.12971	2.0
229.82623	2.0
327.14392	8.5
344.97711	1.9
345.15543	44.9
346.15903	6.4
413.21545	2.7
429.17609	10.0
431.22589	2.4
455.16443	10.8
473.16608	90.6
474.16992	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	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18127	0.2
57.03329	0.2
59.01249	100.0
60.01582	1.3
71.01247	1.5
71.40199	0.3
73.02821	0.5
78.16661	0.2
85.02827	0.6
89.02328	0.9
101.02319	1.3
113.02343	0.9
116.58962	0.2
119.03392	0.4
133.02885	0.4
135.04439	0.3
143.03491	0.3
145.02916	0.2
161.02408	1.2
161.04501	0.7
163.03867	0.3
183.10257	0.3
197.36990	0.2
202.75827	0.2
265.61337	0.2
307.10406	0.2
413.21970	0.5
473.14072	0.5
473.20361	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64046	0.3
59.01250	100.0
60.01591	1.2
61.98707	1.2
62.25397	0.4
69.23331	2.5
69.23753	1.1
71.01249	3.1
73.02840	0.9
83.01291	0.4
85.02819	0.9
89.02310	1.9
99.00749	0.4
101.02322	2.6
106.73678	0.4
113.02346	1.3
119.03451	1.2
119.04903	0.4
135.04424	0.8
161.02451	0.7
161.04497	1.1
179.03514	0.9
179.05437	0.5
183.10236	0.4
185.10158	0.4
235.41710	0.5
305.59576	0.4
309.21173	0.4
389.22458	0.4
413.16913	0.4
413.21542	1.9
490.08276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31943	0.2
59.01250	100.0
60.01578	0.8
61.98689	0.4
71.01262	1.7
71.09347	0.6
72.99200	0.3
73.02829	0.5
78.95779	0.4
83.01241	0.2
85.02827	1.0
89.02327	1.2
96.95911	0.7
96.96860	0.8
98.02372	0.7
101.02348	1.4
113.02327	0.9
115.37196	0.2
119.03387	0.5
119.04902	0.6
133.02946	0.4
135.04491	0.5
137.02322	0.3
145.02892	1.1
147.04482	0.6
161.02345	0.7
161.04605	0.4
163.03975	0.7
179.05614	0.3
183.07799	0.3
227.06648	0.5
261.05566	0.6
307.82098	0.3
327.10855	1.0
371.20657	0.4
413.22040	0.6
473.14703	0.8
473.33109	0.9
489.92880	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02858	0.5
59.01253	100.0
60.01592	1.3
60.85624	0.3
61.98705	0.6
71.01257	3.0
72.99184	0.4
73.02805	0.9
74.02360	1.1
78.95807	0.4
79.09809	0.3
83.01283	0.4
85.02844	1.3
87.00748	0.5
87.05533	0.5
88.76313	0.3
89.02338	1.2
95.01291	0.4
96.04424	0.4
97.02905	0.3
97.03993	0.5
99.00771	0.4
99.05573	0.4
101.02338	1.3
106.53751	0.3
110.02356	0.3
112.03931	0.7
112.07578	0.4
113.02328	0.9
119.03463	0.4
121.02870	0.8
127.05017	0.4
135.04449	0.3
137.09627	0.4
140.07089	0.6
143.03421	0.5
155.08240	1.1
161.02425	0.6
161.04501	1.2
165.06647	1.1
183.07729	2.1
209.15459	0.9
223.13408	0.4
227.06729	3.8
261.05502	4.8
305.83862	0.3
371.21054	0.9
401.08621	0.4
413.22107	1.2
473.33160	2.4
474.33356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95470	0.3
52.71541	0.3
54.07349	0.3
57.03339	0.4
57.33418	0.3
59.01251	100.0
60.01593	0.8
61.98709	0.7
71.01258	2.0
71.04910	0.3
73.02813	0.5
79.55173	0.3
85.02837	1.0
87.00751	0.4
89.02335	0.9
99.00806	0.4
101.02354	1.1
113.02335	0.7
119.03369	0.4
121.02812	0.4
125.09666	0.3
135.04485	0.6
145.02869	0.5
160.42290	0.3
161.04376	0.4
249.15027	0.4
319.41937	0.3
455.31775	0.8
473.27768	2.3
473.33762	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	473.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.9
57.03311	1.6
58.00470	2.4
58.59684	0.4
59.01250	39.6
60.01588	0.7
61.98719	0.6
64.98654	0.4
69.03312	0.6
71.01254	26.2
71.04870	2.7
72.01594	0.5
72.99191	2.7
72.99544	0.4
73.02809	1.9
78.60705	0.5
78.78358	0.5
83.01246	1.6
85.02831	6.1
87.00737	1.1
87.04362	0.6
89.02317	17.3
95.01257	1.9
97.06467	0.8
99.00742	0.6
101.02323	12.9
113.02342	7.2
114.79826	0.5
115.00251	0.5
119.03384	7.8
121.02834	1.9
121.06488	0.6
123.08053	2.3
125.09554	0.5
135.08044	0.8
139.11118	0.5
171.10141	0.8
179.03371	0.5
183.13828	2.7
195.13852	1.1
211.13307	0.7
223.13303	1.4
223.16985	2.2
235.17030	2.5
265.18137	0.8
275.20184	3.7
293.21234	15.9
294.21536	1.3
305.21512	0.7
311.22290	4.5
312.22601	0.6
371.25827	0.8
401.08807	0.9
423.32742	0.7
429.52988	0.5
439.32208	1.4
441.33795	1.1
455.26385	0.5
455.31799	2.9
456.31979	0.6
473.27484	100.0
474.27838	16.7
483.31091	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24620	0.4
53.86460	0.4
55.01749	1.2
57.03315	1.9
58.00460	1.5
59.01252	24.5
60.40369	0.4
71.01255	19.1
71.04900	0.9
72.99182	1.8
73.02829	2.1
83.01262	1.6
83.04861	0.6
85.02824	5.5
87.00744	1.4
87.04381	2.2
89.02318	10.6
95.01259	1.3
96.94730	0.4
97.06464	0.7
99.00712	0.6
101.02329	9.9
113.02332	5.7
119.03429	3.5
119.04890	0.4
121.02853	2.2
136.58548	0.4
136.67703	0.4
143.03342	0.8
171.10216	0.8
183.13824	2.0
211.13396	1.0
223.16972	8.5
224.17236	0.7
231.21228	0.5
235.16983	1.8
237.14986	0.8
275.20111	3.0
293.21228	11.0
294.21475	1.2
311.06558	0.5
311.22250	9.3
312.22525	0.9
313.07126	0.5
374.41730	0.5
401.08801	1.2
405.01703	0.4
455.26300	1.7
455.31979	1.0
456.32010	0.6
473.27466	100.0
474.27856	15.5
474.33203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3274
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
59.01237	2.4
69.03338	4.9
70.43548	1.6
78.85555	0.9
78.95783	1.9
80.02558	1.5
107.04891	4.5
109.06480	69.3
110.06811	2.7
110.98402	0.9
152.83112	0.9
160.37532	0.9
160.68146	0.8
167.01044	1.5
170.74799	0.8
200.75436	0.8
204.84355	0.8
305.24893	9.0
306.25320	1.5
317.28470	3.2
355.30045	3.6
357.31622	35.4
358.31995	4.6
359.29849	0.8
362.44495	0.8
383.33383	1.2
385.34726	15.1
385.39731	0.7
386.35098	2.2
393.31506	1.4
411.32724	11.3
412.32968	2.0
429.33728	57.0
430.34052	10.3
473.32718	100.0
474.33038	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3273
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
51.84533	1.5
53.37973	1.7
53.87943	1.6
57.03317	2.2
58.00459	1.6
59.01244	2.9
59.39735	1.3
70.54118	1.8
70.54470	4.1
71.04896	43.7
80.41656	1.3
83.04893	3.7
97.06473	6.8
98.20507	1.7
121.06470	8.2
123.08054	35.2
126.41657	1.6
133.06488	6.0
135.08057	11.2
137.09605	4.6
149.65570	1.3
151.63518	1.3
178.95207	1.5
188.35901	1.5
193.88499	1.5
194.63542	1.5
205.12427	1.8
205.15924	2.3
207.13773	1.7
216.30492	1.5
220.88100	2.0
229.15962	6.4
256.14777	1.7
265.18042	9.3
269.19159	2.1
271.17032	6.1
275.20102	2.3
287.20178	4.4
289.18082	11.7
305.21265	12.5
319.24234	6.5
355.26462	2.3
357.24023	2.0
367.26260	2.7
371.25836	8.6
383.25916	4.2
384.26218	1.7
389.27203	7.4
401.27115	6.3
409.31271	2.0
411.32571	3.4
422.28201	4.2
423.32855	8.8
437.30670	11.0
438.30896	2.9
439.32184	41.5
440.32629	9.5
441.33823	31.3
442.34180	5.5
455.31717	68.9
456.32053	11.6
469.29358	2.1
473.26328	5.2
473.32718	100.0
474.32993	16.8
483.31271	19.0
484.31461	4.3
485.32898	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3272
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
58.00456	2.3
59.01244	1.7
60.99166	0.8
61.07021	0.6
71.01250	1.6
71.04900	4.3
83.04870	0.8
97.06447	1.9
99.04398	2.5
101.05988	1.3
109.06516	0.7
111.08092	0.9
121.06464	2.3
123.08015	0.7
127.07557	3.2
133.06665	0.7
135.07988	0.8
137.09612	4.0
149.09665	1.6
153.09096	1.8
163.11171	0.9
166.79419	0.6
173.09604	6.5
188.11928	0.9
189.12769	4.4
205.12271	1.3
205.15880	0.8
220.10919	0.9
243.17216	0.7
256.14636	1.3
271.17010	4.3
287.20126	5.2
288.20682	0.7
289.18085	18.1
290.18311	1.3
303.19632	3.2
305.21219	40.3
306.21573	4.7
331.40820	0.7
349.20108	1.4
363.25079	1.0
383.25806	1.4
399.29099	1.3
404.27124	0.8
407.25931	14.9
408.26282	2.7
408.31659	0.7
409.27213	0.9
409.34445	3.1
411.32855	0.7
415.94980	0.8
419.30197	1.1
421.31158	2.5
422.27982	6.7
423.28610	0.9
437.30594	30.2
438.30914	6.8
439.32227	14.5
440.32446	2.9
453.30090	3.7
454.27374	1.0
455.31622	16.8
456.32141	3.7
465.30124	1.9
471.31155	21.8
472.31454	4.2
473.32684	100.0
474.33029	21.9
483.31122	3.6
484.31110	0.8
491.33896	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39028	0.7
57.03325	1.5
58.00455	2.2
59.01258	5.2
60.99075	0.7
69.25012	7.3
71.04893	20.8
73.02799	1.0
74.17397	0.8
74.69386	0.9
75.37834	0.7
83.04919	1.8
84.82720	1.0
85.02798	1.0
97.06480	5.5
99.04428	1.0
101.05945	1.9
121.06476	8.7
123.07175	1.6
123.08051	31.8
133.06480	7.9
135.08061	9.9
136.08359	1.3
137.09595	3.2
153.09111	2.2
163.11278	1.0
189.12723	1.5
205.12196	2.2
207.13823	1.1
247.17108	1.2
263.16519	1.0
265.18057	6.9
271.17133	2.4
287.20081	1.5
289.18143	9.8
290.18454	2.3
303.19559	1.2
305.17694	1.1
305.21213	17.3
306.21527	2.2
317.21161	2.3
319.22833	1.1
353.21002	1.1
371.25980	7.7
383.26135	4.5
389.27017	16.2
390.27206	2.6
391.29855	1.3
395.29736	1.3
401.26993	10.1
402.27396	1.5
409.31259	2.4
411.32724	2.6
421.27130	1.3
425.26593	1.2
427.32346	1.2
433.26324	1.1
437.30566	11.6
438.30869	2.7
453.29941	1.9
455.31674	59.2
456.31995	10.7
473.32678	100.0
474.32996	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	473.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01717	0.9
58.00451	0.8
58.52575	0.7
59.01254	5.8
60.14452	0.8
60.99130	0.9
61.03463	0.8
61.98687	1.3
64.09840	0.7
71.01240	1.4
71.04890	20.0
71.51557	1.0
73.02818	1.3
78.95796	1.2
83.04888	1.5
87.27444	0.7
97.06441	1.3
109.06440	1.1
143.07120	1.0
163.11189	0.8
209.11731	1.3
311.23804	0.9
327.23102	1.0
329.24777	2.5
330.50775	1.0
345.24414	2.4
353.20981	0.9
355.26501	0.9
360.43149	0.8
371.25949	9.5
373.23593	1.9
376.53174	0.8
379.30423	1.0
383.25876	12.5
384.26212	1.1
389.26978	24.5
390.27295	3.3
391.29880	1.2
399.21631	3.2
401.26953	14.6
402.27087	2.3
409.31088	3.9
415.25104	1.8
427.32010	1.1
437.30551	1.5
453.30075	2.7
455.31662	23.3
456.31836	5.0
473.25620	11.4
473.32620	100.0
474.25735	2.5
474.32977	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	473.3633
Annotation	Sipholenone E
Peak:m/z	Relative Intensity
58.69519	0.5
59.01251	3.4
61.98680	0.6
66.99567	0.5
71.01250	1.6
71.04870	0.7
76.43605	0.5
78.58897	0.4
78.95776	1.0
79.17843	0.5
89.02325	1.4
98.19822	1.8
121.26360	0.5
121.74192	0.6
134.98102	0.5
149.03070	0.4
202.76315	0.5
217.93674	0.5
250.57642	0.5
277.21677	2.5
293.21133	2.2
411.32724	2.7
429.33624	1.2
455.31805	1.0
473.36884	100.0
474.37302	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	473.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69519	0.5
59.01251	3.4
61.98680	0.6
66.99567	0.5
71.01250	1.6
71.04870	0.7
76.43605	0.5
78.58897	0.4
78.95776	1.0
79.17843	0.5
89.02325	1.4
98.19822	1.8
121.26360	0.5
121.74192	0.6
134.98102	0.5
149.03070	0.4
202.76315	0.5
217.93674	0.5
250.57642	0.5
277.21677	2.5
293.21133	2.2
411.32724	2.7
429.33624	1.2
455.31805	1.0
473.36884	100.0
474.37302	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	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.3
62.96284	0.4
78.95776	100.0
96.96841	8.3
122.98363	0.2
123.79878	0.2
140.01105	1.0
150.97908	0.4
151.81613	0.2
152.99492	16.3
153.99850	0.3
154.73495	0.2
171.00555	16.9
172.00937	0.3
196.03760	0.8
213.95888	0.2
214.04848	0.4
229.31409	0.3
277.21689	6.3
278.22098	0.7
400.22531	1.4
454.24023	0.3
474.26257	55.1
475.26605	10.3
475.33829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.4
60.21331	0.3
61.98711	0.7
62.96264	0.4
69.39056	0.8
69.39472	1.9
71.01249	0.3
78.95777	100.0
96.96841	8.3
140.01103	1.2
152.99496	16.2
171.00562	17.2
196.03604	0.3
214.04819	1.4
244.48618	0.3
277.21722	31.2
278.22049	3.4
284.03220	0.4
293.21390	0.7
296.62750	0.3
299.05658	0.4
400.22458	1.4
401.22934	0.5
473.35266	0.4
474.26263	51.9
475.26569	8.4
475.34106	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	475.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.8
57.03326	2.7
58.00495	0.4
59.00959	0.7
59.01250	13.5
62.11383	0.3
63.02263	0.6
65.00188	0.7
67.01739	0.7
68.99687	0.6
69.25916	1.0
69.26343	2.1
69.92128	0.3
71.00858	0.8
71.01251	12.1
72.99172	2.5
73.02807	1.1
75.00747	5.1
83.01262	1.6
84.02016	0.7
85.02824	19.9
86.03145	0.5
87.00746	4.1
89.02306	1.6
95.01263	5.6
99.00755	7.8
101.02311	0.8
103.00256	3.4
107.01308	1.7
113.02332	36.1
114.02663	1.5
115.00246	1.4
117.01822	2.3
118.19237	0.3
124.60832	0.3
129.01823	1.6
132.02132	0.5
133.01302	0.6
133.02882	0.5
134.03622	1.3
148.01579	0.4
149.02264	0.3
151.00279	2.9
157.01311	0.7
175.02403	6.6
175.12360	0.4
176.02792	0.4
179.05705	0.3
187.03983	0.4
188.04787	0.4
199.58057	0.4
200.04794	0.7
211.03909	1.3
212.04666	0.5
214.02870	0.3
227.03429	1.8
228.04105	0.5
239.03462	0.7
255.02966	1.9
256.03738	8.8
257.04196	0.5
283.02478	1.4
284.03262	100.0
285.03613	10.6
299.05606	81.1
300.05948	9.3
341.06799	0.7
342.51773	0.3
475.08759	5.2
476.09045	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04565	3.7
51.33072	3.5
54.08259	3.3
57.03318	6.8
59.01250	86.3
61.98681	8.7
69.63869	23.4
71.00854	3.9
71.01253	72.3
72.99188	43.2
73.02813	25.4
75.00740	4.4
78.76117	3.9
80.27609	4.3
83.01257	20.5
85.02827	45.4
87.00764	21.3
88.00264	5.8
89.02337	26.9
95.01268	9.3
99.00783	19.3
101.02335	58.9
103.03908	5.6
111.00802	4.1
113.02341	37.6
119.03426	7.6
127.00202	6.0
143.03290	4.3
149.02422	4.7
149.04466	4.7
159.02898	4.7
161.02267	6.2
161.04459	26.7
163.06068	4.5
172.54541	4.3
263.62503	3.8
269.10291	69.9
270.10690	6.3
272.04138	3.7
274.25351	3.6
284.03152	4.5
395.16110	3.9
415.16037	100.0
416.16687	9.1
431.27011	4.0
475.18051	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	475.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17158	1.6
57.03335	1.6
59.01254	55.3
59.96003	1.4
60.30194	1.5
63.05250	1.4
63.24849	1.4
69.45583	3.7
69.45997	8.2
71.01263	13.7
72.99192	2.1
73.02820	5.1
83.01245	7.7
85.02818	8.4
89.02312	9.6
93.03342	1.7
95.01273	4.1
96.97422	1.6
98.20522	3.2
99.00755	3.3
99.15998	1.8
101.02327	16.7
109.18243	1.6
113.01645	1.9
113.02343	25.3
119.03394	5.1
127.00252	6.2
137.02321	2.9
143.03310	1.6
146.02547	2.7
146.03647	36.0
149.02359	5.6
149.05989	2.2
161.04463	8.0
161.05975	10.2
164.04721	24.5
169.51083	2.0
179.07057	100.0
180.07431	7.7
226.27147	2.0
301.18417	1.9
329.12509	2.0
390.86707	1.8
475.18549	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	475.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.0
58.41987	0.7
59.01254	69.4
60.01574	1.2
61.98701	2.0
69.03335	1.5
69.15814	2.2
69.16224	6.8
71.01259	5.6
71.04888	3.9
71.45014	0.8
73.02806	2.7
74.62466	0.8
75.00723	1.4
78.95782	29.0
80.02529	1.1
81.03316	2.7
83.04879	1.6
85.02830	4.0
89.02312	2.8
91.03860	2.6
95.04923	1.6
97.06465	0.9
98.03564	0.9
99.00723	1.0
99.04392	2.1
101.02283	1.8
106.04066	1.2
109.02790	1.0
109.06474	12.6
110.73342	1.0
110.98418	22.0
111.04397	5.0
111.08018	1.6
112.60379	0.9
113.02319	4.0
123.08043	2.4
127.07504	2.7
137.09625	1.4
143.10683	1.8
145.06497	1.4
149.09627	1.0
150.61272	1.0
161.04396	1.1
165.20561	0.8
167.01080	21.3
167.10645	2.6
171.10175	1.2
179.10707	1.2
181.12180	1.2
185.02158	8.1
191.14351	1.2
193.12173	0.9
195.13799	3.4
207.17612	1.0
209.11751	1.5
213.14798	3.1
213.48767	0.8
225.14903	1.8
227.16368	1.5
235.13585	1.1
237.14839	1.0
245.19080	4.7
255.16014	1.5
271.17020	1.2
273.14938	0.9
279.67291	0.8
284.03232	3.7
285.04022	2.3
287.16550	2.4
289.18109	100.0
290.18454	9.9
299.05618	5.3
307.19128	8.1
313.03381	2.5
313.23651	1.1
328.05667	2.3
341.23346	20.9
342.23660	1.7
352.19711	0.8
398.38354	0.8
475.20914	42.9
475.27957	3.2
476.21182	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	475.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03384	1.0
59.01003	2.7
59.01331	19.4
61.98774	1.4
70.80122	1.5
71.01348	3.0
71.04992	4.0
73.02888	1.1
78.95876	8.1
80.02627	0.6
81.03419	1.1
83.04996	2.1
85.02928	2.6
85.21416	0.6
95.04996	1.7
97.06568	1.7
98.03681	1.1
99.00825	0.7
101.02376	1.3
107.04975	0.8
109.06480	11.1
110.06876	1.1
110.98421	7.9
111.04414	5.2
111.08132	1.3
113.02444	2.7
114.62120	0.6
119.04981	0.8
121.02972	0.8
121.06590	1.0
121.10262	0.6
123.08065	1.5
125.09724	2.0
127.07634	2.6
135.08147	0.8
137.06021	0.7
137.09682	0.8
143.10762	0.8
145.06592	1.3
149.06030	0.7
149.09702	1.7
151.11218	1.0
151.53033	0.9
152.99576	0.9
159.08115	0.7
161.04596	1.0
167.01050	4.1
167.10840	2.2
169.12383	1.0
171.10205	1.6
179.10762	1.3
181.12320	0.8
185.02135	8.2
187.09712	1.4
191.10764	0.7
195.13841	2.6
209.11768	5.3
235.13431	1.0
245.19130	5.2
246.19482	0.8
247.74933	0.7
251.16400	0.9
271.17117	1.8
284.03192	4.5
285.03671	0.9
287.16498	2.4
287.19720	0.7
289.18094	100.0
290.18451	13.2
299.05566	4.6
300.05972	1.2
307.19135	8.7
308.19394	1.0
415.27151	1.0
433.27744	1.5
441.33853	0.9
457.33185	3.6
475.20630	23.0
475.26099	1.6
475.34979	9.5
476.21246	3.3
485.32349	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	4.3
59.01250	9.4
60.74346	1.4
61.15364	1.5
69.03310	2.3
69.35904	3.2
69.36311	9.0
71.01249	2.1
78.25378	1.3
78.95772	74.4
80.02534	2.3
81.03336	5.3
83.01264	9.6
83.04886	6.8
86.45846	1.8
93.72835	1.3
95.04897	3.7
97.02808	4.3
97.06452	9.0
98.19805	3.2
101.10827	1.6
104.97370	2.3
107.04881	1.8
109.02866	1.7
109.06461	3.5
110.98407	59.5
111.08064	2.8
113.02345	2.3
121.06464	3.5
123.04385	10.5
123.08042	6.2
125.05991	2.5
125.09614	17.0
135.08052	3.8
136.05238	1.9
136.99953	2.4
137.06050	1.7
137.09605	8.6
141.12741	2.0
142.02667	1.5
148.08800	1.5
149.05978	2.5
149.09627	1.9
151.11217	2.9
163.07571	1.9
163.11188	18.0
165.12746	6.1
167.01062	54.6
167.87427	1.7
168.01367	3.0
179.10742	1.9
181.12206	6.1
183.70610	1.5
185.02126	14.9
185.11749	12.6
191.10669	5.8
191.14340	15.4
207.10217	11.1
209.11768	66.5
210.12117	3.8
225.11261	7.2
245.19044	30.0
246.19481	3.5
263.20227	1.9
271.17075	2.3
284.03293	5.9
289.18073	77.0
290.18506	8.3
299.05481	5.4
307.15649	3.4
307.19122	51.2
308.19485	6.5
360.69135	1.6
456.31992	2.8
457.32611	3.9
475.20999	100.0
475.33786	8.8
476.21313	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	475.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.4
57.03334	6.8
59.01251	30.9
69.03343	1.9
70.52752	4.3
71.01244	5.4
71.04868	1.7
73.02824	2.3
78.95775	49.1
80.02556	2.0
81.03336	7.2
83.01250	12.0
83.04891	5.1
85.02808	4.3
89.02280	1.5
93.03311	1.5
94.44473	1.1
94.98891	1.5
95.04902	4.9
97.02846	4.9
97.06473	14.5
99.00719	1.9
101.02336	2.7
104.97337	2.0
106.04099	1.8
107.04910	2.2
109.06462	2.6
110.03647	1.2
110.98415	38.3
111.08035	1.6
113.02317	3.8
113.05959	1.2
115.41309	1.1
119.04955	2.1
121.06511	2.0
123.04401	9.1
123.08033	5.2
125.05984	1.8
125.09608	19.8
135.08041	5.5
137.06017	2.0
137.09596	9.2
141.12764	3.8
142.02644	1.5
149.05986	2.9
149.09563	1.9
151.11153	5.3
152.99490	3.1
161.09633	2.1
163.07536	2.2
163.11191	18.2
164.08430	1.3
164.11583	1.4
165.12723	5.0
167.01050	27.1
167.10709	1.8
179.10675	2.1
181.12241	7.2
185.02130	22.3
185.11717	14.3
191.10757	6.8
191.14339	17.1
197.63832	1.4
207.10210	11.6
208.10664	1.3
209.11763	100.0
210.12071	7.7
211.13280	4.1
217.15924	2.0
225.11218	8.5
245.19044	39.8
246.19394	4.8
263.20068	3.2
271.16956	3.1
271.22665	1.6
279.19720	2.4
284.03320	5.6
289.18085	98.9
290.18381	9.0
299.05499	8.3
307.19122	67.8
308.19604	7.9
355.29272	1.3
431.31653	1.6
433.28000	3.5
457.33087	2.6
475.21017	72.6
475.27905	3.6
475.35031	13.5
476.21353	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	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00107	0.5
54.61338	0.4
57.03327	1.5
59.01249	100.0
60.01590	1.9
61.01648	0.6
61.98710	1.3
65.44796	0.4
71.01251	14.6
72.99178	1.4
73.02820	3.1
75.00758	1.1
83.01270	1.2
85.02820	6.9
85.73248	0.5
87.00765	1.4
89.02314	12.8
93.03332	16.5
94.03678	0.8
95.01292	2.1
98.20673	0.9
99.00761	2.7
99.04417	0.7
101.02310	7.9
101.02908	0.5
113.02325	12.8
114.02646	0.7
119.03383	4.7
123.04409	1.5
129.01816	0.6
131.03325	0.7
132.02081	1.4
133.02812	0.9
134.03650	1.4
135.04465	0.8
137.02339	16.4
138.02687	0.6
143.03429	1.2
145.02855	1.1
149.04448	0.9
159.02936	0.8
160.01573	6.7
161.02330	1.2
161.04448	5.0
161.05417	0.4
167.03397	0.8
175.02434	1.8
175.03972	7.7
176.04301	0.7
179.03477	0.8
179.05557	2.6
181.29652	0.6
193.05020	1.7
197.11794	1.0
210.02121	0.5
215.51320	0.4
256.03629	0.6
284.03256	15.6
285.03763	1.5
299.02246	0.9
299.05573	15.9
299.08789	0.9
300.06119	1.6
307.08350	0.5
309.12003	2.4
309.91455	0.5
313.03711	0.6
323.07819	1.4
337.09299	8.5
338.09775	1.1
415.23367	5.7
416.23868	1.1
457.18799	0.9
475.12576	0.7
475.22198	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	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.6
59.01252	100.0
60.01338	0.4
60.01584	2.1
61.01677	0.8
61.98703	2.5
62.61933	0.4
71.01257	7.9
71.39128	0.5
71.39469	0.7
72.99191	0.7
73.02837	1.3
75.00755	0.7
77.63843	0.3
83.01273	1.0
85.02824	3.8
85.03226	0.4
87.00770	0.8
89.02319	7.2
93.03351	0.5
95.01261	1.0
99.00774	1.1
101.02335	4.6
113.02338	6.8
119.03392	2.9
119.04923	2.4
120.03779	0.4
123.04440	1.4
126.21848	0.4
129.01845	0.5
133.02843	0.4
134.03630	0.6
135.04456	0.9
137.02406	1.1
137.06017	1.2
143.03421	1.2
145.02858	0.9
149.04474	0.4
152.00974	0.4
160.01617	1.7
161.02350	0.5
161.04457	2.2
163.03963	0.9
167.03479	0.5
175.02469	0.8
175.03973	1.7
178.43117	0.4
179.03423	0.5
179.05589	1.6
198.62993	0.3
256.04013	0.7
284.03256	8.0
284.06168	0.6
285.03622	1.0
299.05606	8.3
299.08777	0.6
300.06085	0.7
311.07974	0.6
337.09479	0.6
415.23425	4.1
416.23755	0.5
454.08463	0.5
475.16806	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90303	1.5
55.76213	1.2
56.21146	1.2
59.01254	68.8
59.62423	1.1
60.81088	1.2
64.50473	1.4
69.49613	9.5
72.02970	1.5
72.68172	1.4
78.95761	5.4
83.33946	1.3
87.00715	1.8
89.02319	1.4
98.03004	1.2
100.93510	1.2
109.10113	1.2
113.02358	1.7
115.82573	1.4
120.96864	1.6
136.79926	1.6
145.02866	1.5
152.99445	1.4
161.04469	3.5
161.36723	1.3
179.05518	4.9
198.32185	1.5
209.99600	1.4
215.70590	1.4
247.38678	1.7
253.21724	100.0
254.22101	9.8
278.06360	1.6
279.23318	37.1
280.23627	4.0
284.03149	2.4
299.05667	3.8
395.55017	1.3
396.71017	1.4
475.24451	3.6
475.34521	3.9
497.98734	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3445
Annotation	Oogoniol
Peak:m/z	Relative Intensity
52.32700	0.5
54.92638	0.6
56.39587	0.6
57.03332	1.8
58.00467	0.8
59.01250	5.4
61.98699	0.6
69.03311	0.7
71.01260	2.7
71.04895	7.2
71.22456	0.6
71.22781	0.6
73.02827	0.6
77.97358	0.5
78.95776	9.1
81.03345	1.3
83.01264	2.4
83.04884	2.9
83.30627	0.5
85.02826	0.8
85.06493	1.3
85.13506	0.6
89.02319	0.6
92.96014	0.5
93.17654	0.6
95.04900	1.4
96.95921	0.7
97.02847	1.3
97.06467	7.9
99.04429	0.6
99.08044	1.1
106.04125	0.7
109.06492	2.0
110.98441	7.3
111.08050	1.5
113.02314	2.2
119.04968	0.7
121.02909	0.6
121.06492	3.0
123.04442	2.3
123.08060	2.2
125.09631	3.7
128.81827	0.5
135.08076	1.6
137.09636	3.2
147.08052	1.3
147.11749	0.9
149.05965	0.7
151.11200	1.2
152.99535	0.8
155.10695	0.9
159.02756	0.5
163.11206	4.4
164.11563	0.7
165.12791	2.2
167.01048	3.7
171.10252	0.7
173.09627	0.7
177.12859	0.8
181.12289	1.9
182.41772	0.6
185.02116	5.3
185.11742	2.1
189.12784	0.8
191.10730	1.2
191.14380	3.6
205.15929	2.3
207.10201	2.0
207.13838	4.3
209.11763	20.9
209.15381	1.6
210.12102	1.9
215.14423	1.3
217.15944	0.7
219.17542	1.2
220.14716	1.4
221.15485	0.7
225.11278	1.4
229.16031	0.9
235.16895	0.7
245.19087	7.9
246.19484	1.1
250.22392	0.6
252.13564	2.9
256.14688	2.2
263.20154	1.0
269.19070	1.1
271.17038	5.7
272.17563	0.7
273.18631	2.0
275.20181	2.8
284.03311	2.7
285.18558	2.8
286.19101	0.6
287.16928	1.0
287.20059	5.5
289.18106	25.7
290.18463	3.4
299.05600	3.3
303.19769	2.6
305.21194	4.7
307.19150	15.1
308.19489	1.4
317.17603	1.6
319.19089	1.8
327.23337	0.8
329.24911	1.2
345.24466	1.0
347.18573	1.1
359.27283	0.6
361.25290	1.3
373.24002	1.0
377.28574	1.1
383.25739	3.3
384.26151	0.7
385.27713	0.8
393.28156	1.1
395.29422	6.9
396.29831	1.0
403.30228	1.1
405.32053	3.6
407.29886	0.7
413.30685	2.7
421.31360	1.6
425.34531	2.6
426.34689	0.8
427.28653	2.3
428.29004	0.7
431.31531	0.9
439.26437	0.5
439.32257	14.6
440.32626	2.8
441.33929	10.4
442.34143	1.8
443.35455	5.5
444.35880	0.9
455.31696	1.1
457.33264	40.2
458.33511	7.9
465.29617	0.6
471.31235	1.5
473.32449	0.6
475.21039	12.1
475.34399	100.0
476.21780	1.3
476.34787	18.4
483.24442	1.1
483.31390	4.8
484.31436	0.9
485.32727	12.2
486.33081	2.7
487.33981	3.4
501.32462	2.8
502.33246	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3428
Annotation	25-Methyldolichosterone
Peak:m/z	Relative Intensity
50.02800	0.8
57.03316	1.6
59.01260	5.3
59.24708	0.8
60.99175	1.3
70.01231	2.2
71.01257	5.9
71.04887	1.6
72.47704	0.7
73.02814	5.6
82.79266	0.9
85.02847	1.7
95.04922	1.5
95.06231	0.8
95.37869	0.9
97.06503	2.0
111.08047	10.2
113.02334	2.5
123.08074	3.5
135.08070	3.2
136.08340	1.0
137.09558	1.0
139.11172	11.9
146.55359	0.8
165.09111	12.3
171.10217	2.2
183.10187	77.7
184.10539	4.1
189.93190	0.8
209.11821	1.4
247.13390	1.1
259.17044	1.2
273.18900	0.8
275.20157	51.3
276.20578	5.9
284.03235	4.5
291.23318	26.3
291.26453	1.8
292.23706	2.9
299.05389	5.1
383.30264	1.2
401.30789	1.6
457.33286	2.8
470.73383	1.0
475.34387	100.0
476.34805	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	476.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.4
59.11236	0.3
62.96270	0.3
70.37985	0.6
78.95777	100.0
92.71247	0.3
96.96839	7.5
116.28659	0.3
129.69916	0.2
140.01122	0.4
140.03311	0.2
147.83788	0.3
152.99490	16.7
169.30058	0.3
171.00555	18.3
226.00433	0.2
279.23288	0.4
302.91516	0.3
309.24313	0.4
402.24219	1.6
473.15598	0.3
476.27826	56.7
477.28149	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	476.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.8
70.53372	0.9
78.95777	26.1
84.13731	0.3
85.31271	0.3
96.96829	1.6
114.77539	0.3
140.01068	2.5
152.99489	3.8
171.00575	4.3
188.76851	0.3
196.03732	1.3
214.04817	2.8
228.06136	0.3
261.22449	0.5
264.22623	0.4
279.23282	100.0
280.23630	11.7
280.26773	0.5
476.27832	20.4
476.33557	0.7
477.28033	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0673
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
50.31810	0.2
50.79982	0.2
57.03347	0.3
59.01251	2.4
61.98689	0.8
63.02261	0.3
64.99904	0.3
65.00192	1.4
69.46667	1.1
71.01256	2.8
72.99203	0.4
75.00746	0.5
79.25399	0.2
83.01257	1.0
85.02834	2.7
87.00739	0.6
89.02322	0.7
95.01276	1.3
99.00770	1.5
101.02338	0.5
103.00258	0.4
107.01263	2.3
109.02843	1.1
111.00777	0.7
113.02319	3.0
115.00298	0.4
121.02836	1.0
123.00779	0.4
125.02370	1.3
129.01680	0.3
133.02844	3.6
134.03258	0.4
135.04405	2.5
136.04770	0.3
136.98729	0.4
137.02359	1.8
139.00273	1.5
143.04968	0.3
145.02797	0.3
147.04433	0.4
149.02339	4.1
150.02663	0.4
150.99150	0.4
151.00287	5.6
152.00629	0.4
159.04382	0.7
161.02290	0.5
161.04543	0.3
163.00279	0.3
164.01013	0.4
164.98158	0.7
165.01839	2.1
166.99765	1.1
167.04930	0.4
175.02393	0.5
175.03862	0.5
177.01837	0.4
178.99773	1.0
183.04506	0.6
185.05983	0.5
187.03931	0.7
189.05470	0.5
191.03413	0.9
192.00545	0.7
193.01414	0.4
199.03876	0.5
201.05569	0.8
203.03528	0.4
211.03917	1.0
213.05435	0.5
214.02637	0.3
215.03426	1.3
227.03461	1.9
228.04005	0.4
229.04965	1.4
233.04504	0.8
239.03497	0.9
243.02962	0.4
245.04355	0.4
255.02937	5.7
256.03387	0.7
257.04529	3.6
258.01785	0.3
258.04865	0.3
259.02362	0.4
273.04074	0.9
283.02472	4.0
284.03091	1.0
299.02200	0.6
300.02759	1.0
301.03519	100.0
302.03851	10.1
343.04678	1.0
373.05447	0.7
392.81619	0.3
477.06735	8.4
477.19955	0.3
478.07028	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.1
57.36023	0.8
59.01251	18.4
59.77168	0.9
60.01585	1.1
61.98700	6.2
64.63814	0.9
71.01252	10.2
72.99189	1.3
73.02810	3.6
74.02341	2.7
75.00717	1.3
83.01255	1.7
85.02818	7.4
87.00773	1.2
89.02312	7.9
89.78676	0.9
93.03289	1.3
95.01250	2.3
99.00754	9.3
101.02321	5.2
107.01287	1.8
109.98858	1.0
113.02331	12.2
114.02690	1.6
117.03353	1.3
119.03389	3.1
119.04887	1.0
123.04416	1.1
125.02319	1.8
130.57780	0.8
131.03404	2.1
134.03610	1.3
137.02345	1.0
139.03946	1.7
145.02843	1.5
149.04483	2.2
149.05940	1.3
151.00291	5.1
153.01822	1.7
160.18446	0.8
161.02364	1.7
161.04446	2.3
163.04022	1.0
169.01340	1.3
175.02428	1.7
175.03914	1.3
177.01784	1.0
179.05502	1.7
182.75734	0.8
183.06570	1.0
191.05540	2.9
199.03836	4.6
201.01852	2.3
215.03452	2.8
226.02722	1.0
227.03458	3.5
242.02155	9.6
243.02953	39.8
244.03282	2.9
257.04514	11.5
258.04535	1.1
270.01691	11.7
271.02463	38.9
272.02890	3.1
284.03412	4.6
285.03986	22.2
286.04089	13.2
299.01944	7.1
299.05588	6.7
300.02609	4.8
300.05945	5.8
301.03122	1.7
301.06497	12.3
314.04306	41.9
315.05002	11.7
345.15417	1.3
345.19067	1.8
433.07858	0.9
477.10376	100.0
477.19333	4.6
477.24197	4.5
478.10663	14.5
478.26215	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	477.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	5.3
60.30478	1.0
61.68763	0.9
63.53229	0.9
71.01251	4.6
71.50155	1.5
71.50529	1.2
72.99181	3.4
73.46207	1.0
75.00745	29.6
78.11924	0.9
78.95753	1.0
82.43639	1.0
87.00711	1.1
89.02309	4.4
93.03326	1.0
96.96859	4.2
113.37112	1.0
117.01810	2.0
120.57878	0.9
132.70313	0.9
133.04982	3.8
135.02888	100.0
136.03223	2.4
145.11101	1.0
261.41486	1.0
477.12793	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74124	0.6
59.01243	2.5
71.01248	2.2
72.99176	1.8
75.00745	22.3
78.95786	1.6
87.00719	1.1
89.02326	2.8
89.28728	0.6
96.95861	1.1
96.96841	2.8
98.20607	0.9
101.02322	1.2
103.12802	0.7
117.01817	2.1
133.01387	0.9
133.04982	3.6
135.02887	100.0
136.03253	1.4
149.04449	0.9
194.72165	0.8
354.10565	0.7
453.68542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31417	0.9
56.87455	1.1
59.01251	16.7
67.88054	0.9
70.18617	3.5
71.01254	14.7
73.02823	12.9
83.01267	1.6
85.02845	6.4
89.02319	16.3
95.01263	2.7
99.00758	52.2
100.01086	1.6
101.02319	5.9
113.02328	14.3
119.03392	2.1
121.10108	4.1
131.03398	4.9
140.42033	1.0
143.03372	1.1
149.04445	11.6
161.04466	7.5
191.05508	15.2
233.06696	2.3
307.07059	1.0
345.15482	1.8
477.19766	100.0
478.20001	10.0
478.26190	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.4
57.03307	4.5
58.00457	3.4
59.01250	72.1
61.98697	10.9
66.04269	1.8
69.31364	11.9
71.01253	52.8
72.99160	4.5
73.02465	2.0
73.02821	28.0
74.02345	36.5
75.00737	4.5
80.95286	1.7
83.01244	8.5
85.02819	17.5
87.00725	4.4
89.02312	37.3
89.99468	1.6
93.03279	2.8
95.01249	3.9
97.02795	1.8
99.00755	80.9
101.02316	24.7
108.02076	1.8
113.02328	33.2
119.03365	7.5
121.02814	2.6
121.10088	4.1
123.04401	14.6
125.02325	2.4
131.03349	5.6
133.02827	10.9
135.04404	11.2
137.02306	2.6
145.02800	4.2
149.04489	8.1
153.05447	13.5
161.01086	2.4
161.02347	36.0
161.04407	10.4
162.02518	2.5
163.04015	1.8
165.01785	2.6
175.04005	1.6
177.02011	1.7
179.03325	7.3
179.05046	1.5
183.10080	2.3
184.03445	1.5
191.05573	15.4
196.94418	2.0
197.11639	5.2
260.08774	3.4
267.10037	2.6
283.02576	1.7
301.03531	19.1
323.07788	10.0
345.15323	2.3
438.19174	2.0
447.16556	5.8
459.16547	3.8
459.56677	1.8
477.13937	9.2
477.19510	100.0
478.19888	12.0
478.26266	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26081	0.7
55.01752	1.7
57.03305	3.0
58.00469	1.1
59.01250	32.9
61.98705	1.1
65.46487	0.7
69.00011	0.6
69.03294	0.7
69.78336	2.3
71.01254	40.5
72.99184	3.7
73.02820	25.6
75.00745	1.2
83.01252	4.3
83.98121	0.6
85.02824	18.5
87.00744	2.4
89.02316	25.1
90.02690	0.7
94.95641	0.7
95.01275	4.4
97.02821	0.8
98.19892	1.2
99.00756	83.7
100.01062	1.8
101.02319	19.9
108.02015	2.1
109.02843	1.6
112.01569	0.9
113.02334	32.5
114.02666	0.8
119.03362	2.5
121.10133	1.4
123.10612	0.6
125.02277	1.1
131.03386	8.6
133.02844	1.5
143.03368	2.0
149.04463	17.5
151.00291	0.8
152.01047	3.4
153.01840	1.2
159.02872	1.2
161.02336	2.4
161.04472	13.2
162.04829	0.7
163.00356	0.8
174.03174	0.9
183.10252	1.6
191.05528	21.2
213.11394	0.8
217.01212	0.6
230.02129	1.0
233.06670	3.1
241.01231	0.7
243.03156	0.7
257.00909	2.0
258.01563	1.0
261.00531	0.7
269.00946	1.6
271.02515	1.1
286.01291	1.2
287.01956	2.4
293.08704	0.7
297.00397	1.6
301.03470	3.8
301.16409	3.1
314.00507	0.9
315.01495	4.7
315.07224	1.5
345.15524	2.4
433.20853	3.3
477.09964	2.9
477.19745	100.0
478.20096	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	477.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.6
57.03316	2.2
58.00459	1.8
59.01249	27.6
61.15080	0.6
61.98706	0.7
67.36597	0.6
71.01253	24.8
72.99172	2.2
73.02819	18.8
75.00737	2.4
83.01263	8.1
85.02816	9.3
87.00765	1.4
89.02318	19.6
95.01266	4.1
96.95863	0.7
99.00757	63.8
100.01105	1.8
101.02317	18.6
101.24902	0.6
113.02326	20.8
117.03292	0.6
119.03391	2.4
121.10104	2.4
125.02340	1.2
127.00248	3.7
131.03381	4.9
131.61650	0.6
137.31172	0.6
141.60184	0.5
143.03404	1.3
145.02831	0.7
149.04454	12.1
161.04465	8.5
163.03897	1.2
165.09131	1.5
179.05687	0.7
179.07002	2.9
191.05534	15.6
220.50319	0.6
233.06630	2.4
301.03516	1.8
345.15497	1.8
433.16354	0.7
435.92657	0.7
447.78357	0.6
459.17493	0.7
477.19745	100.0
478.20123	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	477.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00451	1.7
59.01248	2.9
64.81339	0.9
69.03326	1.7
69.37155	5.6
69.37558	1.9
78.95776	42.6
83.04897	1.6
85.65603	1.1
98.20589	1.8
104.97353	1.1
105.63580	0.9
109.06467	1.3
110.98414	33.2
111.08039	21.2
112.74558	0.9
121.10248	1.0
127.07561	1.6
131.23766	1.1
151.11244	1.3
152.99496	1.4
167.01070	28.3
169.12277	9.3
172.10394	0.9
179.10672	1.0
181.12302	1.6
183.13818	1.3
185.02116	12.0
197.11754	100.0
198.12129	7.1
199.13347	3.8
211.13390	6.8
213.42323	1.2
227.12894	2.7
263.20148	3.9
265.18011	3.3
291.19675	23.0
292.20105	1.9
309.20694	67.6
310.21133	8.7
477.22571	91.4
478.22940	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	477.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60206	0.9
57.03304	1.0
58.00461	1.5
59.01245	4.1
64.60992	0.9
69.03351	1.3
71.01219	1.0
71.38129	1.3
71.38483	1.3
73.02831	1.8
78.95777	47.5
94.33452	0.9
96.38120	1.1
109.06478	1.1
110.98420	37.4
111.08041	19.9
127.07545	1.0
151.11192	1.8
153.12794	1.9
167.01070	33.7
167.02466	2.0
168.01344	1.5
169.12236	8.6
181.12260	1.4
185.02110	10.5
197.11771	100.0
198.12143	5.1
199.13342	4.2
208.69145	1.0
211.13438	7.9
227.12851	1.4
263.20154	5.0
265.18008	2.2
291.19641	16.5
292.20172	1.6
309.20715	57.3
310.21008	6.7
353.82147	1.0
373.12408	1.2
477.22595	95.3
478.23004	15.2
499.75320	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07477	0.6
56.62341	0.6
58.00451	0.9
58.48631	0.7
59.01242	3.7
64.74664	0.6
71.38946	1.0
78.95773	18.0
83.04871	0.8
89.63239	0.7
97.02833	0.9
97.06465	0.8
97.38171	0.7
104.97364	0.9
109.06490	1.2
110.98421	15.8
111.08036	19.3
125.09609	1.0
127.07555	1.6
128.52812	0.7
146.40602	0.7
151.11171	1.0
152.99513	2.4
153.12720	2.0
165.12848	1.1
167.01044	10.8
169.12236	8.6
171.10205	1.5
178.13199	0.8
179.10683	1.3
181.12292	1.6
183.13902	1.2
185.02136	13.1
197.11768	100.0
198.12154	6.8
199.13332	4.1
204.75452	0.7
211.13365	7.9
223.91222	0.8
225.15013	1.1
227.12811	2.4
234.36497	0.7
247.20857	1.3
263.20178	3.6
265.18146	3.0
273.18585	2.1
283.73877	0.8
291.19647	21.3
292.20084	2.2
309.20706	76.2
310.21066	6.6
316.09482	0.8
343.24738	0.7
411.19437	0.7
477.22601	46.3
478.22980	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	477.2258
Annotation	Oblongixanthone C
Peak:m/z	Relative Intensity
57.03307	5.7
59.01255	10.0
61.98699	1.6
66.28672	1.6
69.03325	2.0
70.54249	4.5
71.01241	2.9
71.04892	2.2
78.95777	53.2
80.02530	3.8
81.03333	2.5
81.06197	1.6
83.01254	9.1
83.04898	7.1
94.33373	1.5
95.04945	2.4
97.06481	5.7
104.97352	2.2
110.98416	37.8
111.08051	3.5
113.09585	1.5
115.84374	1.5
123.04382	4.0
123.08060	3.0
125.09599	11.9
134.41566	1.4
137.09540	2.1
139.11250	7.6
141.09178	1.7
141.45485	1.5
149.09627	2.3
151.11156	6.6
152.99451	5.6
163.11211	11.8
165.12764	19.7
167.01056	32.8
167.10684	6.7
171.10202	1.5
179.10738	1.9
181.10808	1.8
181.12236	8.6
185.02158	20.2
191.10706	7.4
193.15887	4.2
209.11774	93.6
210.12131	6.0
211.13318	2.3
223.13435	2.6
228.04504	1.8
231.66711	1.5
247.20636	11.9
265.21677	5.2
273.18576	5.1
281.21188	2.2
291.19672	100.0
292.19965	9.3
293.20883	1.8
295.21939	2.0
309.20703	82.1
310.21222	8.4
327.19199	1.6
476.34183	3.3
477.22559	90.7
478.22946	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	477.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	6.9
57.03321	4.2
58.00461	2.6
59.01251	65.0
60.01598	1.6
61.98702	26.6
63.54150	0.8
69.03320	1.6
69.22365	3.0
69.22778	3.8
69.74307	0.8
71.01254	76.5
71.04903	3.8
72.01592	1.6
72.99181	3.9
73.02819	28.4
75.00730	2.1
83.01255	17.0
83.04935	1.0
85.02822	34.5
85.99950	1.6
87.00758	5.4
89.02314	25.0
93.16107	0.8
95.01274	5.4
97.02816	2.1
99.00756	19.0
101.02322	59.9
102.02644	1.8
108.02052	1.5
111.00732	2.0
111.22704	0.8
112.01528	1.4
113.02328	30.4
114.02621	1.2
119.03403	7.0
119.04938	1.0
125.02332	3.5
129.01842	1.7
131.03416	2.6
137.02315	1.2
143.03400	4.6
145.02806	1.9
149.04472	2.0
152.01082	0.9
159.02899	5.8
160.04962	0.8
161.02365	1.9
161.04463	22.4
175.03976	1.8
179.05557	1.5
183.13831	1.5
191.05577	1.9
271.01831	0.8
300.03070	1.0
301.03482	1.1
315.05023	1.4
315.08490	1.3
345.19165	83.6
346.19476	7.9
405.41293	1.0
477.23465	100.0
478.23782	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	2.6
57.03337	3.3
58.00469	2.7
59.01252	100.0
60.01588	1.8
61.98703	41.3
71.01256	60.5
72.99195	3.1
73.02819	12.1
75.00748	2.2
83.01266	8.8
85.02825	26.0
87.00739	3.0
89.02327	40.7
94.22580	1.5
95.01257	4.6
97.02844	2.2
99.00760	15.1
101.02323	40.4
113.02324	28.5
118.97916	1.5
119.03397	14.7
119.04932	1.8
125.02303	2.5
135.04346	1.9
137.02382	2.3
143.03383	2.9
145.02826	4.5
152.01048	2.4
159.02876	4.5
161.04463	17.0
165.12756	2.7
179.05492	6.1
179.70605	1.7
180.68953	1.7
181.72247	1.7
291.14484	1.8
301.03583	5.0
314.04156	2.2
329.85419	1.6
345.19250	18.9
346.19421	2.2
417.24942	61.5
418.25293	10.8
444.43317	1.9
477.23315	44.8
477.30548	13.1
478.23856	7.3
478.30331	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	478.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.3
57.03333	0.3
59.01252	5.2
60.01570	0.4
61.98702	100.0
67.90335	0.3
71.00604	0.4
71.01257	2.9
72.99189	0.4
73.02821	1.1
74.02361	1.4
78.95771	1.4
83.01270	0.7
85.02809	1.4
87.00751	0.4
89.02314	1.3
90.02638	0.2
93.03337	7.6
95.01278	0.4
96.96832	0.4
97.02816	0.4
99.00781	0.6
101.02326	2.0
102.98492	0.5
108.02065	2.5
109.02818	1.9
113.02347	1.1
113.58234	0.3
117.03356	0.6
118.13190	0.3
119.03397	0.5
119.04903	1.4
123.08060	0.3
125.02322	0.4
133.02902	0.4
135.08130	0.3
137.02345	8.6
145.02849	2.3
152.01054	2.5
152.99483	0.4
153.01859	1.2
153.09105	0.4
158.03346	0.3
159.02934	0.3
160.05199	0.3
161.02335	0.5
161.04482	0.5
161.06094	0.3
163.03941	1.1
179.03482	0.5
193.08734	0.4
203.07164	0.4
204.36288	0.3
229.09094	0.4
263.09351	0.7
283.05096	0.8
305.16159	0.5
315.07202	0.4
326.55048	0.3
341.12521	0.7
456.50378	0.3
473.95087	0.3
478.26355	1.8
479.15787	3.9
479.21060	0.9
479.26801	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	3.8
61.98704	100.0
71.01249	2.4
71.52600	0.6
73.02834	0.8
74.02337	0.5
75.17696	0.5
75.81978	0.5
80.31071	0.5
85.02843	0.6
89.02319	1.0
101.02348	1.6
108.02060	0.8
117.03336	0.6
119.34525	0.4
123.04459	0.7
125.02348	0.9
137.02356	0.8
145.02925	0.9
152.01057	1.1
152.99570	0.6
167.03409	1.6
168.03819	1.3
215.33688	0.5
241.39546	0.5
245.72180	0.6
273.07718	2.1
274.08112	2.5
478.31924	0.7
479.15430	0.9
479.21564	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49681	0.2
61.98700	0.4
64.13000	0.3
71.51793	0.5
78.95780	13.3
95.19073	0.3
96.96839	0.7
97.63117	0.3
99.85985	0.2
122.00006	0.4
128.28488	0.3
140.01073	2.2
145.22725	0.3
152.99483	2.1
171.00592	1.7
196.03714	1.2
208.39487	0.3
214.04842	2.7
251.20177	1.0
275.02078	0.3
281.24863	100.0
282.25229	11.7
476.80951	0.3
478.29361	12.5
479.29538	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	479.0848
Annotation	Gossypetin 8-glucoside
Peak:m/z	Relative Intensity
55.01750	3.0
57.03325	3.0
58.00463	1.6
59.01252	46.8
60.01584	1.9
61.01661	2.3
61.03389	1.4
61.98693	3.5
65.00194	1.6
66.35154	1.4
71.01253	53.9
72.01584	3.4
72.99177	3.8
73.02818	28.2
75.00729	1.6
83.01263	6.9
85.02820	20.6
86.03180	2.1
87.00758	3.5
88.83363	1.2
89.02317	40.8
90.02645	2.8
93.03358	7.7
95.01240	7.1
97.02829	2.1
99.00757	67.0
100.01100	9.8
101.01180	5.1
101.02315	25.5
107.01258	4.1
108.02043	1.8
109.02837	7.0
109.99969	5.6
111.00758	4.6
113.02334	33.4
114.02678	5.4
115.02788	1.8
117.03298	2.1
119.03392	5.5
119.04935	2.0
121.02866	2.4
123.00780	5.0
124.01556	4.3
125.02345	4.9
127.19398	1.4
129.01967	1.4
131.03407	9.0
133.02855	2.3
136.01501	2.1
137.02354	13.8
137.99507	1.9
139.00247	6.1
139.03876	1.5
143.03322	3.3
145.02870	8.5
146.03717	1.7
148.01617	1.5
149.02487	1.7
149.04456	23.0
149.09604	2.2
151.00288	11.4
151.03894	1.7
152.01028	6.0
153.01831	2.8
161.02367	2.4
161.04478	18.0
162.04796	2.6
163.00284	5.3
163.03882	2.3
164.01059	3.6
165.59494	1.4
165.99008	6.6
166.99693	3.0
171.29141	1.3
175.03882	2.8
176.85068	1.3
178.99823	10.0
179.05403	1.4
181.01349	1.5
182.02269	1.7
183.02948	3.1
183.04379	1.4
183.10086	1.9
186.03181	1.3
187.00548	1.4
187.03896	2.3
189.01923	1.5
191.05527	20.5
192.05896	3.1
193.05995	3.0
194.99387	1.4
198.03226	2.6
199.03949	3.8
201.01852	3.1
203.03386	2.8
214.02538	1.8
215.03464	4.8
219.02879	1.6
225.11275	3.5
227.03407	7.4
229.01411	2.0
231.02974	4.8
233.06583	3.9
241.01505	1.6
242.02164	3.7
243.02953	10.1
243.12492	1.7
244.03391	1.9
255.02968	4.3
259.02441	3.0
260.03000	1.6
269.04547	4.3
270.01691	6.2
271.02457	35.5
272.03082	7.8
273.04068	4.3
287.01917	14.5
288.02545	10.2
289.03259	2.7
298.01151	1.9
299.01962	30.4
300.02463	3.1
301.03256	1.9
315.01486	2.1
316.02206	65.5
317.02960	40.2
327.07187	4.9
341.08896	3.4
343.06555	1.6
347.17093	6.7
461.07147	2.6
478.20053	10.7
479.08310	100.0
479.20389	90.2
480.08603	14.4
480.21268	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13759	0.2
53.86893	0.2
55.01760	2.6
55.06498	0.2
55.63748	0.2
57.03323	1.9
58.00458	0.9
59.01251	16.8
60.01591	0.2
63.55015	0.2
69.03314	0.6
69.25803	0.5
69.26204	1.5
71.01254	20.9
72.01593	0.5
72.99182	2.4
73.02818	11.9
74.02316	0.3
74.03168	0.2
75.00730	0.8
81.89266	0.2
82.73106	0.2
83.01257	5.5
85.02822	12.1
85.99976	1.3
86.03140	0.2
87.00739	1.4
89.02320	5.0
93.43033	0.2
95.01261	1.8
95.59406	0.2
97.02827	1.0
99.00101	0.2
99.00755	7.3
101.02322	23.3
102.02633	0.5
105.01783	0.2
111.00764	0.9
112.01568	0.3
113.02328	9.6
114.02674	0.3
119.03354	0.4
125.02333	1.9
129.01794	0.7
131.03380	0.6
137.02347	0.4
141.01804	0.6
143.03397	0.7
151.00218	0.3
153.01909	0.3
154.21410	0.2
159.02910	1.1
161.04460	3.1
167.10722	0.4
183.02873	0.3
185.11731	1.5
191.05443	0.4
211.13367	0.4
237.14845	0.4
285.04135	0.5
302.03909	0.3
303.05020	0.8
303.18115	3.7
304.18396	0.3
329.16177	0.5
347.17084	6.4
348.17496	0.6
389.30511	0.2
435.22327	1.4
443.11642	0.2
461.19867	0.4
479.21304	100.0
480.21637	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	479.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.8
57.03310	1.7
58.00464	1.0
59.00958	1.0
59.01250	18.0
61.98706	0.5
61.99941	0.4
69.03335	0.4
69.16934	3.5
69.17356	1.2
71.01253	21.8
72.99172	1.7
73.02819	12.3
73.74925	0.4
75.00758	2.6
83.01254	5.8
85.02825	12.1
85.99960	1.0
87.00736	1.7
89.02319	5.2
92.64439	0.5
95.01246	2.3
97.02813	1.0
99.00757	6.3
101.02320	20.1
105.85854	0.5
111.00750	0.8
112.01527	0.9
113.02335	7.6
125.02290	0.5
129.01813	0.6
136.34258	0.4
145.02838	0.8
159.02911	1.1
161.04457	2.9
185.11745	1.0
199.13492	0.5
211.13348	0.6
248.61304	0.4
252.84647	0.5
303.18060	3.0
347.17099	5.2
435.21890	1.0
479.21310	100.0
480.21686	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	479.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	3.2
57.03307	4.7
58.00458	1.9
59.01251	35.9
61.98704	14.2
63.46661	1.1
63.75690	1.1
63.94016	1.0
70.38883	1.0
71.01250	42.8
72.99178	2.6
73.02816	18.1
75.00732	1.9
83.01254	9.2
84.78751	1.0
85.02822	22.1
87.00736	3.2
89.01901	1.1
89.02324	10.7
93.03358	1.5
93.49572	1.2
95.01268	6.6
97.02786	3.0
99.00755	12.0
101.02320	32.7
109.02856	1.3
111.00758	3.3
113.02333	16.4
119.03444	1.7
125.02356	5.1
125.70316	1.2
133.02834	4.3
135.04376	2.3
137.02345	3.6
139.00262	1.5
143.03377	1.4
149.02341	2.1
151.00237	3.8
153.00713	1.4
159.02876	2.3
161.04437	9.7
165.01845	1.6
177.01796	1.2
181.12231	1.7
185.11736	7.7
188.12811	1.0
193.01337	3.8
199.13350	2.2
207.10121	4.2
225.11179	4.2
243.12334	4.6
260.22461	1.2
283.02472	1.5
285.04089	9.2
301.03540	20.9
302.03867	17.8
303.04108	31.6
329.15900	1.5
347.17078	90.4
348.17459	9.6
391.15942	4.0
403.07220	1.2
479.07590	5.7
479.21240	100.0
480.21628	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	479.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95747	0.3
52.74117	0.3
55.01759	2.8
57.03318	2.2
58.00460	1.1
58.03688	0.3
59.01252	19.7
60.01567	0.3
61.98686	0.4
68.99667	0.4
69.03323	0.8
69.19833	2.1
71.01254	27.3
72.01564	0.3
72.99178	2.8
73.02822	13.4
74.03139	0.3
75.00750	1.3
83.01255	6.5
85.02824	14.4
85.99961	1.4
86.03154	0.4
87.00749	1.7
89.02324	4.9
93.03330	0.7
95.01254	2.0
95.04903	0.3
97.02814	1.1
98.20588	0.6
99.00758	7.6
101.02322	24.3
102.02604	0.4
108.01991	0.4
111.00772	1.1
112.01530	0.5
113.02330	10.3
114.02650	0.4
115.07542	0.3
119.03384	0.8
123.00777	0.4
125.02316	0.7
129.01834	0.4
131.03349	0.6
135.04375	0.4
137.02327	1.3
143.03342	0.8
146.87936	0.3
153.01862	0.4
159.02850	1.4
161.04492	3.3
165.05408	0.3
165.30396	0.3
179.03369	0.4
179.05519	0.3
182.02127	0.4
185.11726	1.0
197.04436	0.9
211.13309	0.3
272.54321	0.3
281.06601	1.1
289.77197	0.3
303.18112	5.0
304.18457	0.6
329.16156	0.4
347.13165	0.2
347.17099	5.5
348.17331	0.4
435.22375	1.5
479.21255	100.0
480.21616	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	479.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	7.0
56.83434	2.8
57.03337	5.8
57.57179	2.8
59.01251	100.0
61.98689	9.9
63.61028	2.9
68.09017	2.5
69.03323	4.1
69.60192	16.6
71.01254	57.3
72.01602	2.7
72.99177	13.1
73.02805	15.8
75.00749	11.5
83.01252	14.0
84.43193	2.8
85.02830	27.0
87.00748	4.2
89.02313	38.0
91.00266	4.6
95.01270	5.5
99.00763	20.3
101.02327	43.6
113.02314	28.3
119.03408	7.2
127.00273	6.2
134.62579	3.0
137.02310	4.4
151.07573	7.6
155.10669	3.5
159.02867	4.2
161.04453	13.9
168.24332	2.7
179.05560	5.8
199.09732	4.1
203.10762	3.5
347.17117	14.1
379.15887	6.9
479.20868	81.0
480.21637	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	479.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01731	3.6
57.03315	6.0
58.00465	6.0
58.15151	1.2
59.01247	76.2
61.98700	3.0
63.02264	1.4
65.00180	2.7
69.03299	1.9
71.01251	89.4
72.01566	1.7
72.99184	8.0
73.02819	33.8
75.00724	3.6
77.04003	1.2
81.03291	1.5
83.01257	9.1
83.04877	1.4
85.02822	31.5
86.03157	1.4
87.00742	7.3
87.04389	1.2
89.02314	68.2
91.41031	1.1
93.02779	1.6
93.03333	29.8
95.01253	13.2
97.02808	2.7
97.06441	1.4
99.00752	100.0
100.01059	3.1
101.02323	47.6
102.02599	1.7
107.01237	4.0
108.02029	2.9
109.02792	5.3
109.99955	4.9
111.00729	5.2
113.02327	51.3
114.02660	2.7
117.03336	1.6
119.03372	11.9
120.03712	1.2
121.02804	2.4
123.00745	6.8
123.45169	1.1
124.01515	2.7
125.02277	4.3
131.02498	1.5
131.03386	15.4
133.02808	2.9
136.01517	1.2
137.02338	42.0
137.09621	2.0
137.99426	1.9
139.00293	6.6
139.03886	2.6
143.03333	5.3
145.02835	3.4
148.01595	1.7
149.02510	1.5
149.04459	40.4
149.05640	2.9
149.09602	2.2
150.04790	1.6
151.00282	10.5
151.03897	7.3
152.01082	8.9
153.01758	3.4
153.05460	2.7
155.03258	1.4
159.02858	3.7
159.04349	2.0
161.02341	2.6
161.04471	36.5
161.05832	2.9
162.04802	1.8
163.00247	5.5
163.11157	1.3
164.00995	3.5
165.01765	1.5
165.98941	5.2
166.99770	8.4
167.10675	8.2
171.04353	1.9
175.03882	1.7
178.99820	10.3
179.05513	6.5
181.01308	2.2
181.12225	2.7
182.02092	2.9
183.02936	8.2
184.03194	1.5
185.11772	1.6
187.03847	3.5
189.01860	2.9
191.03745	1.4
191.05553	28.1
192.05859	2.5
195.61249	1.4
197.04449	4.3
197.11749	1.2
198.02931	1.2
199.03857	3.6
199.13263	3.9
201.01764	3.5
203.03409	3.3
207.10193	3.9
213.01817	1.5
214.02580	2.7
215.03358	4.1
216.03954	1.2
221.06551	2.3
225.11278	9.6
226.11467	1.2
227.03355	5.1
229.01355	1.3
230.02043	1.9
231.02820	5.2
232.03482	1.1
233.06657	8.9
242.02121	5.5
243.02908	12.3
243.12250	1.8
244.03526	1.8
247.08212	1.4
255.03009	6.1
256.03134	1.4
259.02350	4.3
260.03116	2.8
269.14047	1.6
270.01691	8.6
271.02484	37.2
272.03079	8.8
273.03995	5.9
287.01978	18.9
288.02512	7.7
289.03214	2.0
293.08688	2.7
298.01138	1.5
299.01971	25.6
300.02148	5.0
315.01346	2.4
316.02222	56.3
317.02936	35.1
318.03250	3.8
327.07208	10.6
329.16214	1.3
341.08688	9.9
343.06503	1.9
347.17114	19.7
348.17261	1.4
353.10553	1.3
435.08881	2.4
461.20255	2.5
479.08011	76.2
479.21011	93.1
480.08353	13.0
480.21179	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	479.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	0.9
57.03308	1.8
59.01257	1.1
69.47335	1.2
69.47744	2.6
71.01238	0.7
76.60446	0.5
78.95778	42.4
94.98914	1.3
97.06435	1.1
99.08044	3.8
104.97330	2.0
110.98417	32.0
111.08041	1.2
112.48377	0.6
113.09599	4.6
120.69955	0.7
123.08058	0.6
129.09119	7.7
136.99948	0.9
139.11147	0.7
151.11230	1.0
152.99489	2.1
153.09111	0.6
153.12715	1.0
155.10724	0.7
163.11185	0.7
165.12711	0.8
167.01064	30.3
167.14330	0.9
168.01361	0.9
169.12262	4.1
171.10147	1.4
181.12270	6.8
183.13855	3.3
185.02138	9.6
193.12285	2.1
197.11763	12.4
198.12158	0.9
199.13322	7.1
211.13341	22.8
212.13666	1.7
225.79135	0.6
261.05576	0.9
265.21805	1.1
275.20108	2.1
293.21188	14.9
294.21585	2.1
311.22269	97.8
312.22638	11.2
346.15259	0.6
479.24155	100.0
480.24493	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.8
59.01231	1.5
64.86778	0.5
69.03336	0.6
69.36172	1.8
69.36599	2.3
71.01256	0.7
78.95774	34.6
83.04870	1.0
91.16882	0.6
94.98914	0.7
97.06462	0.9
98.20495	1.2
99.08031	3.8
104.97343	1.4
104.98021	0.5
110.98417	23.3
111.08083	0.8
113.09603	4.7
123.08015	0.8
127.07497	1.0
129.09105	5.4
139.11183	1.7
151.11182	1.0
152.99458	0.8
167.01068	20.2
167.14264	1.0
169.12256	3.0
171.10184	3.9
181.12271	5.6
183.13841	1.6
185.02132	8.9
185.11690	0.6
193.12251	2.4
197.11784	13.6
198.12041	0.9
199.13368	5.3
211.13358	19.2
212.13661	1.2
249.22226	1.0
265.21835	1.2
275.20181	1.7
289.45123	0.7
293.21237	15.0
294.21570	1.8
311.22275	100.0
312.22610	10.4
363.70004	0.7
366.45682	0.6
375.79492	0.7
479.24142	63.6
480.24493	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	479.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05852	0.5
55.01764	3.0
57.03331	2.9
58.00471	1.6
59.01252	34.8
61.98703	21.1
68.99701	0.5
69.03304	0.7
71.01256	40.2
71.51840	0.6
72.01585	1.2
72.99184	4.1
73.02820	15.3
74.02341	0.7
75.00761	2.2
78.95774	0.6
83.01250	6.5
84.94821	0.6
85.02822	18.5
87.00748	3.2
89.02317	13.6
89.02838	0.9
93.03335	3.5
95.01259	3.3
97.02831	1.7
99.00768	9.0
101.02325	31.5
108.02132	0.6
108.83106	0.6
111.00778	3.0
113.02332	15.1
113.03081	1.1
114.02694	0.7
117.03395	1.3
119.03387	4.0
119.04883	1.5
125.02331	2.0
129.01852	1.1
131.03397	1.6
133.02873	0.9
135.04459	0.6
137.02351	8.2
141.01886	0.6
143.03427	2.3
144.65245	0.5
145.02847	4.6
149.04390	0.7
151.03844	1.0
152.01099	0.6
153.01891	0.9
159.02898	2.7
161.04463	9.9
163.03880	1.9
177.01970	0.6
177.53542	0.6
179.03336	0.9
179.05568	0.8
187.93781	0.5
199.13437	0.6
237.18640	1.4
239.16469	3.3
255.19620	4.7
257.17606	13.3
258.18048	1.0
281.17587	1.0
303.18182	0.9
317.06680	0.8
319.49866	0.6
347.17654	1.4
347.20752	33.8
348.21051	2.6
364.34305	0.6
401.21762	1.1
417.25012	2.5
419.22800	12.2
420.23187	1.6
461.23792	2.8
479.25418	100.0
480.25894	12.3
480.61081	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23178	0.6
57.03328	2.2
58.00462	1.0
59.01254	48.8
60.01576	0.7
61.98707	6.4
63.52938	0.6
64.59399	0.7
69.47293	0.6
69.47641	4.5
71.01257	18.8
71.04855	0.6
72.99188	7.6
73.02823	19.3
75.00748	2.4
82.96200	0.6
83.01252	4.4
85.02822	11.0
85.99978	0.8
87.00769	2.4
89.02315	7.7
91.78563	0.7
93.03331	0.8
95.01300	1.4
97.06470	0.7
97.99403	0.7
98.20580	1.1
99.00774	3.4
101.02325	18.9
109.02919	0.7
111.00804	1.4
113.02333	8.6
113.93677	0.6
119.03414	2.2
123.04446	2.8
125.02353	1.8
127.07616	0.8
129.01878	1.3
131.03462	0.7
135.04422	6.4
137.02388	2.6
143.04526	1.1
149.02434	0.7
151.03900	1.0
158.78249	0.7
159.02982	1.6
161.02385	1.7
161.04503	3.7
165.05524	0.9
167.03502	0.8
175.03961	0.7
179.03426	5.9
185.11894	0.8
188.04619	0.7
197.04497	6.4
208.89757	0.7
216.44225	0.7
221.15468	0.8
255.11687	0.7
272.08914	0.9
277.48865	0.7
281.06760	1.5
281.14230	0.7
299.18777	1.5
301.03427	1.1
303.04346	1.1
313.11493	1.0
317.06677	0.6
347.17111	6.9
359.09967	2.5
363.20410	1.8
383.21024	1.9
401.21796	1.3
419.22894	5.6
461.24014	5.2
462.24637	0.8
479.11938	4.6
479.25208	100.0
480.13159	0.6
480.25598	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	481.135
Annotation	Catalposide
Peak:m/z	Relative Intensity
55.01756	5.7
57.03314	7.1
58.00465	6.7
59.00953	4.9
59.01249	100.0
61.98702	13.0
69.03316	2.7
69.45651	9.2
69.46061	4.4
71.01251	91.4
72.99185	8.3
73.02817	14.4
81.03333	5.6
83.01266	7.5
83.04895	6.8
83.76685	2.1
85.02819	23.9
87.00751	5.3
89.02315	76.3
89.46355	2.3
93.03333	70.5
95.01268	7.8
97.02821	7.6
99.00739	9.9
99.04388	2.3
101.02322	66.7
108.02062	4.7
109.02827	5.9
111.04407	33.0
113.02324	40.2
117.03344	7.3
119.03404	36.8
119.04910	52.7
120.05259	3.1
121.02832	2.8
123.04382	5.0
125.02333	9.3
129.01820	2.2
131.03380	8.2
133.06488	5.3
135.04382	6.6
136.01561	5.0
137.02350	85.3
138.02686	2.9
143.03377	6.5
145.02850	42.0
146.03174	3.9
147.04378	4.3
149.04465	4.1
151.03957	4.5
152.01019	5.8
153.01862	4.2
155.03387	24.4
161.04471	14.8
161.05994	17.1
163.03926	72.8
164.04198	2.6
177.05490	7.0
179.03432	19.6
179.05484	12.4
181.04936	4.4
187.03932	3.0
191.05609	2.9
199.06036	5.8
205.05019	24.9
206.05313	2.7
209.04527	3.3
235.06055	23.1
239.05627	18.8
265.07153	47.9
266.07385	2.6
281.06662	11.8
307.08182	5.2
319.08237	18.8
320.08450	2.7
325.09308	10.3
349.18646	20.7
350.64703	2.5
445.13293	4.4
481.13467	76.6
481.22879	69.8
482.13547	22.2
482.23242	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	481.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17882	0.2
55.97948	0.2
56.09329	0.2
59.01257	1.6
61.98703	1.1
69.03313	0.2
71.01252	2.0
71.52422	0.2
73.02835	0.6
78.95777	6.3
78.96215	0.3
81.03344	0.7
83.01250	0.3
85.02805	1.1
89.02349	0.3
93.03346	1.6
95.01283	0.8
95.04908	1.1
96.96269	0.2
96.96852	1.0
99.00763	0.4
101.02329	1.1
108.02054	15.2
109.02145	0.5
109.02850	9.0
110.03191	0.4
113.02319	0.9
119.04955	0.6
121.02858	0.9
122.03637	0.9
123.00824	0.7
123.04411	76.3
124.04753	3.3
133.02811	0.3
137.02335	1.1
139.11192	0.5
145.02892	0.5
150.97926	0.2
151.03891	0.6
152.01064	15.6
152.99507	11.1
153.01944	4.4
153.05481	100.0
154.05817	4.1
161.04498	0.3
163.02480	0.2
163.03926	0.5
165.01863	0.4
171.00539	0.7
181.04979	0.6
183.10155	0.7
195.06610	0.3
297.09653	0.5
315.07233	3.1
349.21793	0.3
392.73041	0.2
481.16763	21.2
482.17261	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68323	0.2
57.03327	0.3
59.01257	2.0
61.98702	6.8
65.23916	0.2
69.03336	0.6
70.82346	0.3
70.95241	0.8
71.01259	4.6
71.01626	0.5
72.99153	0.5
73.02821	1.6
75.00756	0.5
75.12500	0.2
78.95783	0.5
81.03344	1.6
83.01277	0.4
85.02827	4.7
87.00756	0.3
89.02328	0.3
93.03323	0.9
95.01266	3.3
97.02802	0.3
99.00768	0.8
101.02325	2.4
102.98562	0.3
107.04879	0.5
108.02055	67.1
109.02852	40.8
110.03165	1.7
112.62181	0.3
113.02324	2.3
119.04900	0.8
121.02853	0.8
121.10113	0.7
123.00761	2.6
123.04434	0.6
128.50699	0.3
133.02872	0.7
134.06018	0.4
135.00813	0.8
135.04376	0.9
137.02336	1.0
145.02852	1.1
151.03906	1.3
152.01060	64.7
153.01849	21.2
154.02170	0.8
157.40619	0.3
161.02325	0.4
161.04449	0.6
163.03908	1.7
165.01846	0.7
172.21729	0.2
175.03984	0.3
179.03406	0.5
183.10182	3.1
225.03958	0.4
261.70377	0.3
272.12512	0.3
315.07132	2.2
445.15256	0.4
463.25671	0.4
481.17126	100.0
482.17447	15.9
482.24417	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50295	0.6
55.12925	0.7
59.01009	0.6
59.01253	7.4
60.00378	0.7
61.98695	3.3
67.18121	0.6
69.03319	1.7
69.42157	1.6
69.42559	4.3
71.01247	7.4
73.02818	2.7
79.01779	0.8
81.03320	2.2
83.01239	0.6
85.02821	7.5
89.02303	1.0
93.03323	1.5
95.01257	3.9
97.02792	0.7
98.19861	1.5
99.00776	1.5
101.02307	5.8
108.02053	85.2
109.02847	53.3
109.03424	0.5
109.03621	1.5
110.03185	2.1
113.02329	4.0
114.62715	0.6
119.04887	1.1
121.02835	1.4
123.00760	2.8
123.04426	0.9
133.02824	1.5
135.04395	1.5
136.01630	0.8
137.02341	1.3
145.02818	2.3
151.03906	1.8
152.01057	84.4
153.01852	24.8
154.02161	0.8
154.05457	0.7
160.01515	1.2
161.02393	3.8
161.04433	1.4
162.64870	0.6
163.03879	2.4
165.01765	1.2
175.03996	1.6
176.04228	0.8
179.03345	0.7
183.10158	1.3
200.95677	0.6
202.21620	0.7
215.83842	0.8
268.35855	0.7
311.59668	1.0
315.07269	12.9
316.07773	0.9
330.56592	0.8
392.82693	0.7
437.47189	0.8
481.17114	100.0
482.17377	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	481.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44168	0.3
59.01249	1.6
61.98700	1.1
70.77045	0.3
71.01255	1.6
73.02813	0.5
77.63835	0.3
78.95772	5.4
81.03315	0.3
83.01244	0.3
85.02831	0.7
93.03336	1.0
95.01293	0.5
95.04900	1.2
96.96861	0.7
98.02313	0.3
101.02279	0.7
105.13306	0.3
108.02050	4.4
109.02875	2.8
111.17596	0.3
112.64098	0.3
113.02354	0.4
119.04962	0.4
121.02801	0.5
122.03648	0.8
123.04406	80.6
123.93539	0.3
124.04733	3.7
125.90989	0.3
126.87874	0.3
131.45677	0.3
137.02368	1.3
145.02864	0.9
151.03871	0.3
152.01057	4.1
152.99496	6.7
153.05476	100.0
154.05827	5.0
161.02339	0.4
161.04527	0.3
163.03822	0.4
183.10202	0.5
230.91151	0.4
297.09842	0.4
315.07156	0.6
481.16217	4.8
481.22623	1.3
482.17465	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.1
55.34935	1.5
56.13128	1.2
57.03312	3.8
58.00454	2.6
59.01250	63.7
60.28009	1.3
61.98690	5.4
62.09395	1.3
63.58643	1.7
71.01253	68.8
71.10043	2.1
71.10370	1.7
72.99167	7.9
73.02820	35.1
75.00729	7.2
81.90932	1.5
83.01253	6.2
85.02825	24.5
87.00743	6.1
89.02312	66.9
90.02649	1.5
95.01241	7.5
98.92059	1.3
99.00755	100.0
100.01118	2.0
101.02322	38.9
111.00772	2.3
111.82379	1.3
113.02332	47.4
114.02699	2.0
119.03396	9.7
119.04915	8.0
125.02345	1.7
131.03384	15.2
137.02356	2.4
143.03384	5.7
149.04456	57.4
153.01758	1.5
159.02792	1.7
161.04466	24.4
163.03883	6.0
179.05502	5.2
191.05542	45.5
233.06654	14.1
249.83737	1.4
293.08765	4.8
349.14685	2.7
349.18713	33.5
350.19183	3.0
426.38239	1.6
481.22888	54.5
482.23315	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	481.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.9
57.03319	0.8
58.00469	0.5
59.01253	8.7
61.34283	0.2
61.63153	0.2
61.98693	0.3
69.03334	0.3
69.41409	1.0
69.41826	0.6
71.01254	9.6
72.99192	1.5
73.02814	3.1
83.01273	1.9
85.02819	3.4
85.96202	0.2
87.00759	1.1
89.02322	2.6
95.01262	0.6
97.02814	0.4
99.00760	2.7
101.02322	4.3
111.00758	0.7
111.31795	0.3
112.01579	0.3
113.02341	2.4
117.03354	0.4
119.03409	0.5
119.04929	0.3
123.04432	0.4
125.02311	0.5
129.01854	0.4
129.95752	0.2
135.04382	0.3
137.02341	0.5
141.12737	0.6
145.02856	1.8
153.05432	0.2
163.04008	0.3
167.03342	0.3
167.08012	0.2
169.12241	1.0
178.91373	0.2
185.11716	0.3
187.13322	31.5
188.13664	1.6
199.13251	0.2
201.14894	0.5
201.99106	0.2
229.14325	0.6
278.11475	0.2
331.17624	2.6
332.17914	0.3
349.18658	36.6
350.19009	4.4
397.26138	0.3
400.92987	0.2
463.22192	0.3
481.22888	100.0
482.23224	13.8
502.19910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.9
57.03313	3.3
58.00461	4.1
59.01251	55.4
59.46723	0.9
61.98697	5.3
69.03308	1.1
69.72812	1.7
69.73217	3.4
71.01254	59.2
72.99183	4.8
73.02822	15.0
75.00739	3.6
83.01264	8.7
85.02824	25.3
87.00762	3.5
89.01765	2.1
89.02319	40.5
91.00234	1.3
93.03342	5.2
95.01276	4.4
97.02833	3.4
98.20462	1.1
99.00761	12.1
101.02322	47.1
102.02650	1.9
111.00771	3.4
111.04390	1.9
113.02335	27.4
119.03397	16.6
119.04910	1.9
125.02345	2.2
129.01747	1.3
131.03383	3.6
137.02325	10.2
138.25217	0.9
143.03403	4.3
145.02853	2.0
149.04454	5.0
151.03867	1.2
155.03339	1.2
159.02892	1.9
161.04463	10.4
163.03922	2.0
179.05519	5.5
191.05489	2.3
239.05560	1.2
265.07233	1.6
278.56403	0.9
281.06693	3.5
305.15945	1.3
331.17557	11.9
349.18695	48.4
350.18933	5.3
355.34674	1.2
437.20096	1.7
446.21967	1.0
463.21786	6.7
464.22092	1.0
481.12979	4.0
481.22922	100.0
482.23297	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	481.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29681	2.2
55.01757	5.3
57.03326	4.4
59.01249	49.7
61.98703	32.2
69.03319	2.3
71.01255	67.5
72.01584	3.6
72.99162	4.5
73.02819	23.0
78.95775	42.4
83.01269	7.1
85.02821	34.8
89.02327	13.2
97.02814	3.0
99.00751	8.8
101.02324	46.5
109.02769	2.9
113.02330	27.6
123.04406	5.7
125.02361	2.6
127.11143	3.0
135.04445	3.3
142.63797	2.3
144.87921	2.9
149.04433	2.7
152.00943	2.5
152.99489	51.9
153.05467	5.0
159.02884	6.1
161.04478	33.0
190.75481	2.5
213.14842	2.9
229.63763	4.2
240.89194	2.9
289.16550	100.0
290.16934	7.9
293.08978	3.6
421.20786	67.3
422.21216	8.9
481.22092	24.3
482.22113	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35532	1.0
71.09809	1.0
78.95774	58.2
96.96850	5.4
143.10690	1.2
152.99495	73.2
171.00555	19.7
227.03235	3.1
245.04297	100.0
246.04674	4.0
253.21718	66.4
254.22075	6.6
268.48560	1.1
481.25726	37.7
482.26077	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	481.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35439	0.8
55.26323	0.8
69.51987	5.1
78.95778	69.4
96.96859	6.2
150.97925	1.9
152.99493	100.0
171.00569	15.0
190.64713	0.9
194.45531	0.8
204.31047	0.9
227.03186	8.7
245.04280	68.7
246.04657	1.9
253.21713	50.6
254.22063	5.2
322.77731	0.9
481.25714	87.7
482.25928	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	481.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.5
57.03315	1.8
57.27875	0.8
59.01250	54.2
60.01616	1.2
60.09004	0.7
61.98697	2.0
67.65808	0.8
68.99690	0.7
69.03347	1.0
70.92686	1.2
70.93015	0.7
71.01251	20.2
72.99172	2.3
73.02815	6.4
75.00746	1.8
83.01257	4.3
83.04879	0.9
85.02816	9.9
87.00742	9.9
88.00282	2.2
89.02310	6.2
93.03325	8.6
95.01266	2.1
99.00745	3.9
101.02320	15.8
101.03000	0.9
101.05934	1.7
102.02645	0.9
105.01839	0.9
108.02026	0.9
111.00781	3.2
113.02335	8.3
119.03353	1.7
119.04947	1.8
121.02784	0.9
123.04411	0.8
125.02241	0.8
135.04402	1.5
137.02348	13.6
138.02655	0.9
145.02885	1.8
149.04506	1.0
152.00999	0.9
153.01891	0.7
157.12271	1.1
159.02985	1.2
161.02330	1.5
161.04478	2.9
163.03926	1.4
179.03383	1.6
179.05568	1.0
210.71701	0.7
244.20078	0.8
255.19627	1.0
259.19086	4.2
301.20203	5.7
302.20383	0.8
307.17789	0.9
319.21347	1.3
393.17645	1.3
421.24384	8.5
439.21896	1.3
445.24631	3.0
463.25586	4.7
481.26639	100.0
482.26923	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	483.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00453	1.1
59.01249	41.3
60.01597	1.0
61.61316	1.1
61.98707	5.7
64.45329	1.0
69.03329	1.0
69.21653	3.1
69.22062	5.6
71.01252	11.7
72.99180	2.2
73.02822	4.0
75.00719	2.3
78.95834	1.1
83.01263	3.7
83.04888	4.0
85.02839	3.7
87.00759	2.2
89.02299	5.5
91.05407	1.0
93.03339	2.8
95.01248	1.4
97.02834	1.8
98.20638	1.6
98.21418	1.1
99.00752	2.4
101.02319	12.3
107.04905	1.4
108.02086	3.3
109.02862	1.9
111.04407	16.6
113.02322	7.0
117.03328	1.3
119.03399	5.6
119.04911	1.3
121.02807	1.7
122.03561	1.2
123.04385	2.7
127.00244	1.7
133.02847	1.9
135.04430	3.2
136.01534	1.2
137.02324	7.8
145.02843	3.8
145.10115	1.1
151.03922	1.4
151.07584	2.3
152.01115	2.4
152.99481	3.2
153.05513	2.5
157.10207	1.4
161.02330	3.5
161.04428	3.2
163.07538	4.5
165.09109	2.2
167.03340	1.3
171.11723	1.4
173.13232	9.4
175.07574	3.5
177.01851	1.8
179.03375	5.6
188.29747	1.2
189.05505	4.9
199.11198	2.2
217.12277	64.3
218.12605	6.8
243.10172	1.5
260.98404	1.3
261.11292	100.0
262.11624	10.1
275.12866	2.3
303.12323	5.5
304.12613	1.4
310.50693	1.0
335.07867	1.2
337.15070	2.1
402.12311	2.5
402.62906	1.3
451.11285	2.0
455.31140	1.2
483.18341	3.8
484.21332	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	483.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85939	0.6
55.01754	2.9
57.03316	2.5
58.00447	1.1
58.38068	0.7
59.01254	19.3
61.98702	6.0
69.40193	1.3
69.40591	4.6
71.01257	31.3
72.01575	0.8
72.99178	2.5
73.02824	9.8
74.84273	0.7
75.00729	1.3
78.95766	0.6
83.01261	7.5
85.02351	1.2
85.02830	16.9
85.99978	0.9
87.00739	3.0
89.02317	2.9
94.06751	0.7
94.48793	0.6
95.01263	2.3
96.95904	1.1
98.02347	0.8
99.00754	7.0
101.02329	24.0
111.00764	7.3
113.02338	12.0
119.03379	1.1
123.04414	0.7
125.02335	1.1
129.01813	1.7
131.03300	0.7
135.04402	1.0
141.01921	1.1
142.33498	0.6
143.03372	1.4
159.02913	3.2
161.02309	1.0
161.04480	6.4
179.03395	1.1
180.65958	0.7
245.39555	0.6
290.98334	0.6
303.12402	1.2
317.79422	0.7
321.19150	9.4
351.20099	1.4
423.25705	1.7
472.72958	0.7
483.24496	100.0
484.24808	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	483.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86246	1.7
53.85409	1.8
55.01755	6.3
56.98827	1.9
57.03323	5.9
58.00468	3.7
59.01254	60.9
61.98693	5.6
68.99692	2.1
69.03320	2.0
69.32700	4.3
69.33120	13.2
71.01256	85.8
72.01594	3.2
72.99168	10.1
73.02819	28.1
75.00724	5.5
83.01255	18.3
85.02826	41.7
87.00750	10.0
89.02315	25.3
93.03335	4.2
95.01250	7.8
96.95866	4.2
98.20588	3.5
99.00758	19.7
101.02332	70.8
111.00759	8.8
113.02331	36.5
119.03384	6.8
125.02270	2.3
129.01863	2.4
131.03381	4.2
133.02806	2.3
134.03633	2.9
135.04422	2.5
137.02318	9.1
139.04494	1.9
157.12263	4.3
159.02876	6.6
161.04478	16.9
175.02440	2.6
177.01828	14.9
179.03442	5.8
179.05501	5.4
189.14903	7.4
193.04961	4.6
201.62868	2.2
221.06679	2.2
230.14319	1.8
255.03033	6.1
256.03610	1.9
283.02237	3.9
284.02957	3.1
319.21558	2.0
321.22781	8.7
351.05713	4.1
351.20239	98.0
352.20483	7.0
423.18866	3.7
434.09076	2.3
454.32407	2.1
483.24414	100.0
484.15253	3.0
484.24579	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	483.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85939	0.6
55.01754	2.9
57.03316	2.5
58.00447	1.1
58.38068	0.7
59.01254	19.3
61.98702	6.0
69.40193	1.3
69.40591	4.6
71.01257	31.3
72.01575	0.8
72.99178	2.5
73.02824	9.8
74.84273	0.7
75.00729	1.3
78.95766	0.6
83.01261	7.5
85.02351	1.2
85.02830	16.9
85.99978	0.9
87.00739	3.0
89.02317	2.9
94.06751	0.7
94.48793	0.6
95.01263	2.3
96.95904	1.1
98.02347	0.8
99.00754	7.0
101.02329	24.0
111.00764	7.3
113.02338	12.0
119.03379	1.1
123.04414	0.7
125.02335	1.1
129.01813	1.7
131.03300	0.7
135.04402	1.0
141.01921	1.1
142.33498	0.6
143.03372	1.4
159.02913	3.2
161.02309	1.0
161.04480	6.4
179.03395	1.1
180.65958	0.7
245.39555	0.6
290.98334	0.6
303.12402	1.2
317.79422	0.7
321.19150	9.4
351.20099	1.4
423.25705	1.7
472.72958	0.7
483.24496	100.0
484.24808	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	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16176	0.2
70.08856	0.9
70.09208	0.5
72.13705	0.3
78.95774	16.0
82.85307	0.3
96.96845	1.3
98.20583	0.3
124.00217	0.3
149.64929	0.3
150.97894	0.3
152.99490	29.8
153.99857	0.7
171.00513	1.6
219.81512	0.3
223.06842	0.3
227.03221	4.4
245.04332	1.2
255.23265	100.0
256.23599	10.1
391.22412	0.9
483.27271	51.6
484.27618	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	483.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38882	0.8
74.52345	0.4
78.95776	8.2
87.94051	0.4
89.36649	0.4
96.96835	0.6
98.19859	0.4
119.26755	0.4
130.64088	0.4
152.99484	17.7
171.00644	0.9
184.08887	0.4
195.57593	0.4
227.03221	3.7
245.04332	1.6
255.23270	100.0
256.23596	9.2
276.44659	0.4
454.14752	0.5
483.27301	29.5
484.27557	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	483.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19378	0.4
52.00735	0.4
70.17655	0.4
71.09378	0.9
78.95774	20.5
84.56924	0.5
89.50684	0.4
96.96825	1.5
152.99489	29.1
153.99892	0.5
171.00540	1.6
172.80328	0.5
197.60983	0.4
227.03252	4.5
245.04346	1.1
253.67731	0.4
255.23267	100.0
256.23590	10.0
385.81168	0.4
391.22516	1.3
393.47708	0.4
409.23489	0.5
462.27341	0.4
483.27277	49.5
484.21182	0.7
484.27615	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3117
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
50.26534	0.6
55.80217	0.6
56.80276	0.6
59.01240	1.4
71.01247	1.3
71.04892	0.8
71.51588	1.0
73.02814	1.6
120.13881	0.6
153.09055	0.6
167.75378	0.6
188.44481	0.8
202.35556	0.6
215.14487	0.6
217.15813	0.7
255.23254	1.0
261.13760	0.7
303.19629	1.1
327.13834	0.6
363.26776	1.1
364.27161	0.9
403.26273	1.5
409.31027	1.3
419.29633	9.3
420.29733	1.8
421.30914	2.0
437.30597	51.1
438.30945	9.0
439.32068	3.1
483.31174	100.0
484.31458	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	485.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83648	0.2
58.82335	0.1
59.01248	0.6
61.98747	0.2
62.30835	0.2
63.09896	0.2
69.21581	0.7
69.22002	0.7
71.01247	0.2
81.03317	0.5
83.01271	0.3
89.02352	0.2
89.03843	2.3
93.03315	0.2
95.04938	0.2
98.20712	0.3
101.02322	0.4
104.02544	0.5
105.03340	3.8
108.02084	0.2
109.02757	0.2
117.03345	0.2
119.04920	1.4
121.02831	0.2
133.02852	9.9
134.03185	0.5
139.80370	0.2
145.02888	0.9
148.01569	0.5
149.02333	1.0
161.02361	0.2
163.03914	1.2
176.01079	1.0
177.01851	100.0
178.02190	5.8
273.75055	0.2
339.07193	6.6
339.31836	0.2
340.07538	0.7
484.71542	0.7
485.10864	9.6
485.29211	0.6
486.11215	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	485.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82959	0.5
55.01754	1.1
57.03308	1.1
58.00454	0.7
58.73265	0.5
59.01251	18.0
61.98690	0.6
62.43844	0.6
70.48067	0.5
70.80653	0.6
71.01253	22.8
72.01588	0.6
72.99185	1.3
73.02811	7.2
75.00732	1.2
83.01265	2.9
85.02818	7.0
85.99956	1.4
87.00742	5.4
89.02320	9.6
95.01254	1.6
99.00756	1.9
101.02318	14.7
102.02644	0.5
105.62905	0.6
112.13480	0.5
113.02326	9.8
119.03382	4.7
131.03380	5.8
135.04459	0.8
143.03386	1.2
145.02795	0.7
145.07591	1.3
146.04794	1.3
156.48125	0.6
159.02905	1.2
160.06346	6.8
161.04463	6.8
161.07108	64.3
162.07532	3.0
162.31833	0.5
163.03929	0.7
175.08685	22.0
176.08989	1.4
176.43851	0.6
179.03328	0.9
179.05486	0.9
187.08731	2.3
189.06616	91.1
190.06940	6.2
201.10208	0.9
203.08194	22.0
204.08444	1.8
221.06595	9.6
229.09766	2.5
231.07549	0.6
264.17917	0.6
277.12061	0.8
305.11432	11.1
306.11743	1.3
323.12430	3.2
331.51425	0.6
462.05536	0.5
467.16632	1.7
485.17755	100.0
486.18146	14.8
513.66968	0.6
513.76880	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2028
Annotation	4-[6-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-3-methyl-2-oxohexyl]dihydro-3-methylene-5-(2-oxopropyl)-2(3H)-furanone
Peak:m/z	Relative Intensity
58.02675	2.8
59.01252	100.0
61.98689	6.1
63.82450	3.1
69.52954	18.4
71.01257	41.5
73.02823	12.9
78.95779	2.9
83.01260	6.2
83.02395	4.6
85.02824	18.1
87.00769	4.9
89.02319	5.7
89.36795	2.9
95.01256	4.7
96.95866	3.2
96.96838	8.5
98.02359	12.2
99.00747	10.1
101.02318	27.9
111.33862	2.8
113.02331	20.6
119.03324	2.9
119.04744	3.0
121.02930	2.8
135.04416	2.9
143.03516	3.8
145.02838	3.7
159.02942	5.7
161.02386	6.4
161.04474	47.9
164.20055	3.5
167.03310	2.9
167.41888	3.1
179.03459	5.2
263.12949	10.4
265.07510	3.4
313.01733	3.0
321.59756	2.9
425.18164	24.2
469.16711	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	485.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01727	0.4
57.03284	0.7
58.00425	0.5
59.01191	0.3
68.43019	0.3
69.03256	1.4
69.19556	1.5
69.19982	1.2
73.02769	0.3
97.06400	0.6
98.20612	0.7
100.56489	0.3
113.98728	0.3
121.06401	0.8
133.06393	0.7
205.15880	0.3
221.15324	0.4
371.29227	0.3
385.27597	1.6
393.27887	1.2
403.30078	0.3
405.27850	0.4
407.29639	1.4
409.31497	0.5
421.31271	1.4
423.28839	1.1
423.33344	0.8
425.30576	7.9
426.30927	1.4
437.30594	0.5
439.32269	5.7
440.32700	1.4
441.33728	45.2
442.34036	7.6
455.31497	0.9
467.31549	0.6
473.32465	0.5
485.32742	100.0
486.33090	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	485.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.5
55.81981	0.3
58.00462	0.3
58.37375	0.2
68.06561	0.3
69.36024	0.5
69.36436	1.7
83.04409	0.4
83.04903	7.1
84.05240	0.4
87.46957	0.2
97.06514	0.5
109.06471	0.4
205.16051	0.3
238.62880	0.3
241.75252	0.3
268.28125	0.3
268.30914	0.3
293.99078	0.3
325.25323	0.4
339.26804	1.0
355.26425	0.8
357.28098	1.9
375.26889	0.6
387.26810	0.3
389.28799	0.4
391.30194	0.4
401.27463	0.8
403.30026	0.6
405.31760	2.9
406.32101	0.6
413.30591	1.3
414.31137	0.4
421.31424	1.8
422.31500	0.3
423.32645	2.6
424.32739	0.7
425.30530	0.5
437.30838	1.7
439.32404	0.5
441.33899	1.5
442.33774	0.5
455.31677	1.7
456.31824	0.4
465.29984	0.8
467.31674	20.0
468.32037	4.1
473.32614	0.5
485.32745	100.0
486.33090	21.1
511.30927	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55856	0.3
58.81660	0.4
60.99173	0.7
69.43053	2.3
77.44846	0.4
83.04881	0.4
85.79292	0.4
97.06464	0.7
109.06430	1.0
115.36707	0.4
126.00085	0.3
137.09732	0.3
249.18517	0.5
267.19586	0.4
305.21313	2.4
395.12570	0.4
405.31976	0.8
407.29422	0.4
409.27390	3.5
410.27844	0.9
421.31015	1.3
423.28259	1.1
423.33521	3.3
425.30551	2.8
426.31180	0.6
437.30682	0.6
439.32144	67.2
440.32516	13.3
441.33734	6.0
442.34167	0.8
455.31534	1.4
467.31592	1.8
485.32721	100.0
486.33099	18.3
486.38580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96292	0.5
59.01258	2.9
64.97626	0.6
71.01247	1.8
73.02782	0.5
75.78728	0.5
76.51933	0.5
78.44936	0.5
83.04879	1.4
86.70361	0.5
87.27915	0.5
89.02322	1.9
101.02329	0.8
119.03371	0.6
205.15968	0.9
225.89061	0.6
361.25330	1.1
363.26804	0.7
377.28622	3.1
378.28946	0.9
393.28000	1.1
395.29526	7.0
396.29889	0.8
409.31143	10.4
410.31531	2.0
411.32266	0.8
423.32962	4.4
424.32971	1.1
425.30713	1.8
439.28482	3.5
439.32892	2.0
441.33905	28.4
442.34311	4.5
443.31567	4.7
444.31900	0.8
453.30096	7.6
454.30621	1.4
455.31741	0.7
459.34851	0.9
467.32419	0.9
485.32813	100.0
486.33157	18.9
487.31039	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3274
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
51.56429	0.2
55.25726	0.3
59.01249	0.3
71.04903	1.9
71.38226	0.3
73.02805	0.3
77.96719	0.2
82.95663	0.2
97.06419	0.2
148.71010	0.3
189.12779	0.3
203.08855	0.3
206.12495	0.3
208.50336	0.2
242.20909	0.2
324.83704	0.3
369.27826	0.4
375.30881	0.3
377.28528	0.7
393.31754	1.5
394.32266	0.4
403.30066	0.8
405.31583	0.7
407.29550	0.7
411.32599	0.4
419.29614	0.5
421.31082	1.5
423.32770	2.6
424.33057	0.7
425.30533	2.0
426.31024	0.3
437.30591	1.8
439.32419	1.2
441.33765	1.5
442.34122	0.3
455.31702	0.8
465.30325	0.3
467.31656	14.6
468.31851	2.9
485.32745	100.0
486.33090	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3636
Annotation	Methyl 2alpha-hydroxyoleanolate
Peak:m/z	Relative Intensity
52.89306	0.3
60.99176	0.4
70.38030	0.7
70.38426	0.6
71.04900	1.3
77.77759	0.3
78.53550	0.3
78.95784	0.7
85.06461	0.5
88.47800	0.3
95.04929	0.3
95.85306	0.3
97.06464	6.0
98.20516	0.4
101.61349	0.3
128.64232	0.3
137.09682	0.5
152.99501	0.7
191.14352	0.8
255.23268	3.1
256.23657	2.4
257.23932	3.0
373.25214	0.5
374.25977	0.6
375.26855	0.5
377.28268	0.4
389.28500	2.4
391.29999	3.5
392.30365	0.7
405.31577	9.0
406.31876	1.7
407.33179	12.3
408.33435	2.3
423.28690	0.5
423.33316	0.4
437.30765	0.9
439.31961	2.0
440.32629	0.5
441.33737	9.0
442.34146	1.9
451.32184	40.6
452.32483	7.5
453.33722	100.0
454.34042	20.3
454.40482	0.5
459.34732	0.4
471.34631	4.3
472.35236	0.7
485.27899	1.0
485.36615	14.1
486.36902	2.7
497.32736	9.3
497.38446	0.3
498.32999	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59133	0.5
56.45548	0.5
59.01258	2.8
61.98701	1.5
69.28334	3.9
69.28748	1.2
71.01259	4.0
72.59000	0.5
73.02805	0.8
83.01276	1.4
85.02819	1.7
87.00748	1.0
89.02313	1.3
93.03339	7.4
98.19765	0.8
99.00751	0.8
101.02328	3.6
108.02017	0.5
111.00815	0.6
113.02335	2.3
117.03393	0.8
117.52977	0.5
119.04903	1.2
121.02820	0.7
131.03627	0.6
132.04485	3.1
133.02859	1.2
134.03638	0.6
135.04457	4.3
137.02356	16.3
138.02742	0.6
145.02934	2.5
147.04445	0.8
154.78773	0.5
159.03189	12.1
160.03960	100.0
161.02304	1.9
161.04344	6.9
161.05737	0.8
163.03908	2.3
175.03989	0.6
179.03409	6.4
187.77415	0.5
191.07112	0.7
204.03081	3.7
205.05020	0.9
235.06152	1.9
265.07309	0.8
281.06674	26.6
282.07053	1.9
307.08185	0.7
322.09357	2.3
332.80807	0.6
365.30679	0.6
439.28424	0.6
442.11392	14.0
443.11789	2.2
486.10394	15.6
487.10269	1.5
488.50662	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.5
57.03316	3.1
59.01254	100.0
60.01607	1.7
61.98709	24.6
66.03371	1.1
68.99685	1.0
71.01256	28.8
71.51654	1.6
72.99181	3.9
73.02831	5.4
75.00741	5.9
78.95782	5.0
81.03310	1.2
83.01287	5.3
85.02835	8.2
87.00754	4.5
89.02322	21.9
93.03284	1.3
94.02847	2.4
95.01273	2.3
96.00809	1.5
96.96842	3.9
97.02840	2.0
98.01710	2.4
98.02356	49.2
99.00760	7.3
99.01865	7.1
99.02501	1.1
101.02336	16.8
109.01567	1.6
109.02843	1.8
110.02375	3.4
111.00706	1.8
113.02320	13.0
115.91950	3.1
119.03379	7.0
119.04910	1.1
122.02408	2.6
122.06010	1.0
123.08033	1.7
125.02328	3.0
127.00266	2.2
131.03395	1.3
133.02820	2.4
134.02406	1.6
134.03633	2.5
135.04442	6.7
136.03929	1.5
137.02391	1.4
140.03436	1.9
143.03326	2.6
145.02824	5.1
146.02344	1.3
149.06050	1.3
152.03476	1.6
152.99484	2.3
153.09103	1.5
157.08647	1.6
159.02911	2.4
160.01624	1.5
161.02338	2.5
161.04535	6.7
161.05788	1.6
163.03925	2.5
163.11211	1.8
164.03477	2.7
165.05472	1.2
165.09161	1.5
175.03911	1.7
177.05525	1.2
178.08658	1.4
179.03419	6.9
179.05524	6.5
182.04614	1.4
193.05008	2.6
197.04655	1.1
205.04999	1.8
205.12289	2.4
217.49422	1.1
235.06009	2.3
246.14996	6.1
247.13246	2.2
260.10522	1.0
264.15945	7.1
265.14108	1.5
272.08710	1.2
307.08023	2.5
341.10834	3.2
345.71893	1.2
418.97736	1.4
421.10248	1.3
469.14615	2.7
486.17239	2.5
486.24570	1.7
487.14294	6.9
487.34314	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	486.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11466	0.8
52.03197	0.9
54.12747	0.7
59.01240	1.7
66.33141	0.8
72.14881	1.0
88.03917	61.5
89.04277	1.3
91.20234	0.9
96.95877	3.3
97.23208	0.9
126.70189	1.1
135.04414	1.3
147.08075	1.9
149.09576	1.8
157.17110	0.9
161.09657	1.1
163.11145	2.2
187.11041	1.8
229.33067	1.0
276.43668	1.0
279.13876	1.1
280.14673	1.3
307.17130	1.2
309.22137	2.5
337.21735	100.0
338.22052	14.0
382.27612	1.3
432.59485	1.0
469.33234	2.5
486.27167	13.6
487.27304	3.0
487.34232	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	487.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00462	1.7
59.01252	76.0
61.98700	4.4
62.09669	1.7
67.63608	1.7
69.87371	1.6
71.01257	46.6
71.37239	1.7
71.51733	1.6
71.52254	1.8
72.99173	4.3
73.02804	6.1
75.00743	5.1
78.95771	1.6
83.01253	6.7
85.02826	14.3
87.00735	4.9
88.34425	1.6
89.01758	2.3
89.02316	42.4
95.01266	5.8
97.02850	2.3
97.06432	1.9
98.02345	2.5
99.00748	11.0
101.02325	28.5
105.21633	1.8
108.02040	2.9
109.02865	2.7
109.99867	2.3
111.00767	4.6
113.02325	25.1
119.03394	16.6
123.04457	3.4
124.01566	2.1
125.02369	1.8
131.03445	3.2
133.02855	6.9
134.03670	11.1
135.04416	39.9
137.02299	3.3
143.03410	3.2
145.02817	3.0
147.00671	2.1
148.01549	9.4
149.04430	5.1
149.05972	4.3
150.97169	1.7
152.01015	2.1
153.05469	4.3
159.04451	2.2
160.01575	2.2
161.02356	14.3
161.04460	7.6
161.05812	1.9
161.09622	4.7
162.03084	5.3
163.03958	10.8
172.05176	3.1
174.03040	2.2
175.03886	8.6
176.04704	4.5
177.01797	1.6
177.05496	8.8
179.01839	3.4
179.03424	61.8
179.05508	5.1
179.07028	3.4
179.10730	12.3
180.03752	2.0
187.03966	3.4
188.04689	7.0
189.05457	3.8
190.02661	9.1
190.06099	2.9
191.05487	3.0
191.07042	3.6
193.04967	2.2
200.04749	3.0
201.05534	1.9
203.03432	2.3
203.07063	7.8
204.04184	7.5
205.05040	19.2
205.12285	6.3
212.04836	2.9
218.05844	9.6
223.13292	3.5
230.05826	4.6
232.03772	3.3
233.04568	3.4
233.08226	8.7
235.06065	1.9
245.08145	11.9
247.06122	20.9
248.06563	3.3
253.50650	2.0
263.09238	6.1
277.07211	21.5
307.08243	100.0
308.08420	8.8
311.09619	9.9
451.21832	17.4
487.14685	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	487.1457
Annotation	Cistanoside F
Peak:m/z	Relative Intensity
55.41015	0.3
56.95974	0.3
57.03319	0.7
59.01249	2.1
71.01253	4.7
71.35278	0.3
83.01271	0.4
85.02824	6.4
89.02325	0.8
89.03864	0.4
89.92361	0.2
91.05401	0.5
93.03356	0.3
95.01260	2.2
100.08406	0.3
105.03347	0.3
107.04902	1.2
108.02042	0.3
109.02841	0.4
113.02329	5.8
113.60440	0.3
117.03333	0.6
119.04895	0.5
132.02084	0.7
132.03714	0.3
133.02847	13.0
134.03670	5.3
135.04416	85.9
136.04753	3.8
149.05975	0.5
161.02353	25.9
162.02730	1.2
163.03929	0.4
175.03868	0.4
179.03421	100.0
180.03769	5.4
191.07014	0.3
203.03500	0.3
235.06073	0.7
245.04416	0.8
325.09473	0.4
393.99490	0.3
413.87183	0.3
421.07990	0.3
487.14725	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1951
Annotation	Terretonin
Peak:m/z	Relative Intensity
54.09998	0.4
59.01244	2.2
61.80544	0.5
61.98701	3.1
62.19989	0.5
65.35403	0.5
67.47723	0.5
69.61185	2.9
71.01247	1.1
78.95772	22.7
80.02557	1.8
81.03332	2.6
83.04899	8.2
84.02029	1.3
91.97159	0.5
93.03326	0.6
95.04910	0.6
96.96836	1.7
99.00726	0.6
107.55085	0.5
125.05930	1.2
127.04261	0.5
135.04419	1.9
135.08034	1.6
150.97881	0.5
152.99484	33.8
153.99843	1.1
161.02321	1.1
163.11182	5.8
165.12784	3.8
171.00580	2.7
179.03380	2.1
181.12320	0.9
191.10716	1.8
209.11763	100.0
210.12099	6.9
227.03168	3.4
227.12827	16.0
228.13100	0.8
245.04208	1.2
259.15222	0.7
261.26669	0.4
279.13174	0.5
363.11859	0.7
395.14551	1.4
455.16855	15.4
456.17062	1.8
487.19461	69.5
488.19778	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	487.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56583	1.2
54.28067	0.9
55.01756	6.0
57.03316	3.7
58.00460	4.3
59.01250	100.0
60.01586	1.2
61.98703	5.9
69.23251	4.1
69.23677	5.7
70.88932	0.8
71.01252	85.6
72.01591	1.1
72.99181	5.8
73.02824	7.7
75.00741	2.3
78.95777	6.6
81.03306	1.3
83.01255	10.8
83.04897	2.5
85.02828	14.5
87.00761	5.0
89.02317	96.4
90.02652	1.9
90.12342	1.1
93.03320	1.0
95.01270	5.2
95.04903	2.2
97.02826	2.0
98.20549	2.3
99.00758	96.5
100.01087	1.9
101.02325	45.7
107.03377	1.5
109.06427	1.1
113.02328	35.3
114.02657	1.2
117.01800	2.4
117.67752	0.9
119.03387	37.7
119.04897	4.5
123.04408	1.0
125.02350	2.0
127.00234	4.7
131.03441	5.5
133.02844	3.7
134.03654	1.1
135.03426	1.6
135.04411	19.4
135.08043	4.5
137.02332	1.4
137.09619	1.9
143.03410	10.9
145.02797	2.0
149.04430	4.9
151.03831	1.7
152.99493	6.7
153.09076	2.4
160.03963	2.7
161.02370	12.0
161.04463	19.2
163.03931	2.8
163.11163	1.9
165.12624	1.1
177.01909	1.6
179.03423	25.3
179.05511	74.7
180.03812	1.9
180.05890	2.9
180.22305	0.9
193.12283	2.2
197.08128	1.6
201.04922	0.9
209.11792	19.3
223.09785	1.1
227.12865	5.4
251.12778	1.1
258.06537	1.1
311.09491	1.2
323.07666	1.9
323.43341	1.0
323.48138	1.0
359.13681	1.5
365.66684	1.2
378.30972	1.2
387.20197	3.3
451.22031	5.2
451.32864	1.0
455.16620	1.8
469.14752	1.3
487.13577	5.3
487.20172	11.8
487.30164	25.0
488.14081	1.2
488.21902	1.6
488.30771	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	487.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	5.9
59.01253	45.8
61.20579	1.1
61.98702	1.9
71.01256	44.8
72.99190	4.6
73.02817	5.8
83.01268	1.7
85.02830	11.8
87.00768	1.6
88.92818	1.0
89.02320	17.0
95.01286	4.0
96.95927	1.7
97.02840	2.1
99.00760	100.0
100.01091	1.7
101.02327	18.1
113.02332	18.4
115.00287	1.8
117.03389	1.2
119.03421	6.6
123.08070	8.8
133.02849	4.4
134.03627	1.6
135.04425	29.8
135.05455	2.2
137.09618	3.4
143.03424	4.3
145.02892	1.5
159.02802	2.4
159.54601	1.0
161.02432	10.8
161.04466	27.6
162.04773	1.3
163.07539	1.3
163.11189	7.5
179.03435	51.0
179.05515	12.2
180.03746	2.9
189.12791	12.6
190.13182	1.5
203.14381	4.7
207.13826	22.1
207.15617	1.9
208.14264	1.4
218.20804	1.1
225.14920	3.9
247.13365	12.1
251.05522	1.1
265.14404	2.7
280.38992	1.2
371.21222	1.5
387.20251	12.2
424.30942	1.0
427.19635	3.4
431.19376	2.7
443.22940	1.1
469.20883	2.2
487.22037	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	487.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84520	0.8
55.01759	1.8
57.03310	2.6
58.00453	3.4
59.01249	84.9
60.01579	1.0
61.98693	3.2
71.01252	64.2
71.04875	0.9
71.52118	1.2
72.01601	0.8
72.99178	5.5
73.02819	23.0
75.00737	1.5
78.95750	1.0
83.00795	0.7
83.01252	3.8
84.02051	0.8
85.02817	23.0
87.00730	3.0
89.02316	66.5
95.01267	8.0
96.01524	0.8
96.95884	1.1
97.02845	1.3
99.00755	100.0
100.01077	2.1
101.02326	27.9
104.96344	0.9
107.04896	1.5
112.04016	0.9
113.02331	53.0
114.02627	1.3
117.03360	2.5
119.03388	10.6
119.04884	3.9
121.02862	1.6
131.02480	1.2
131.03398	16.5
132.02057	1.0
133.02834	8.8
134.03578	3.7
135.04410	64.4
136.04756	2.8
136.50691	0.8
137.02321	2.3
143.03386	4.4
145.02895	4.7
149.04460	65.4
150.04665	1.1
160.01517	1.8
161.02367	22.3
161.04437	24.5
161.05826	1.3
163.03891	3.4
175.03871	2.3
175.11151	6.5
177.01851	9.1
178.02141	5.5
179.03435	98.1
180.03778	5.9
187.11134	1.4
191.05534	48.9
192.05832	2.4
203.03329	1.2
205.12360	0.9
233.04443	1.1
233.06621	11.3
234.06818	1.1
278.18936	0.9
281.05542	1.0
289.18036	1.1
293.08807	2.5
307.08252	1.0
307.19058	6.9
337.09280	1.4
349.20444	1.2
355.17490	1.7
384.28571	1.0
386.77811	1.1
389.09412	0.9
390.10687	3.0
487.25250	16.5
488.25653	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	487.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.4
57.03324	0.8
58.00446	0.3
59.01252	29.3
61.98704	1.3
68.99660	0.3
69.03307	0.4
71.01253	9.6
72.99171	0.9
73.02824	5.1
75.00714	0.4
80.91417	0.3
81.03323	0.5
83.01256	1.8
83.04946	0.3
85.02829	5.8
86.39449	0.3
87.00764	0.9
89.02315	3.1
91.05392	0.4
93.03273	0.4
95.01266	1.9
96.95879	0.3
97.02791	0.3
99.00738	0.8
101.02323	5.1
107.04903	1.0
109.02843	0.7
113.02331	8.3
117.03339	0.8
119.03388	1.2
119.04914	2.2
131.03426	0.4
132.02054	0.7
133.02853	9.0
134.03656	3.0
135.04416	63.9
136.04758	3.1
137.02356	0.7
137.09613	0.3
143.03372	0.6
145.02846	1.6
149.04494	0.3
161.02356	20.9
161.04323	2.1
162.02579	1.4
163.03928	1.4
175.03943	0.5
177.01862	3.5
177.05507	1.0
178.02208	1.7
179.03427	100.0
180.03786	5.7
187.11203	1.8
190.09898	0.4
201.05577	0.4
203.03445	0.6
204.11452	0.3
205.12250	3.3
233.04544	0.6
233.11862	0.9
237.06233	0.3
245.04523	0.7
251.05513	0.3
259.13394	0.5
277.14496	0.8
307.19141	0.8
323.07819	0.5
387.20395	0.5
471.22311	0.3
487.14819	0.5
487.25821	2.1
487.34525	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3057
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
57.03331	0.9
59.01254	16.9
61.98703	2.4
68.24598	0.6
69.39764	4.7
70.40379	0.6
71.01263	8.0
72.99187	1.0
73.02840	1.4
75.00758	0.8
78.95786	2.3
83.01269	2.4
83.04920	0.8
85.02826	5.2
87.00763	0.7
89.02319	6.2
91.05466	0.6
93.03275	0.8
95.01279	2.1
99.00764	4.0
101.02322	4.9
107.04908	2.4
109.02911	0.9
109.06453	0.9
113.02335	8.6
117.03345	4.6
119.03398	2.1
119.04939	5.1
127.00249	1.7
127.58644	0.6
133.02856	10.0
134.03665	3.8
135.04424	58.5
135.08032	1.2
136.04749	3.1
137.02367	1.1
140.88409	0.6
145.02861	15.4
146.03300	1.0
149.04453	0.7
151.03900	1.8
160.03935	1.6
161.02359	26.9
161.04462	2.1
161.05774	0.7
162.02750	1.2
163.03891	2.6
179.03429	100.0
180.03773	6.0
196.46846	0.7
203.03430	1.4
209.11723	1.2
217.01178	0.7
245.04512	1.8
307.08163	3.1
323.07742	1.9
415.14078	3.1
468.75781	0.8
487.13858	6.3
487.30585	77.2
488.14166	1.4
488.30930	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	487.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
80.70480	0.2
98.19855	0.5
131.22827	0.2
135.04228	0.2
145.27322	0.2
153.95692	0.2
318.24915	0.2
409.30930	0.3
421.31042	0.2
441.33957	0.2
469.33194	0.5
487.34290	100.0
488.34647	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	487.343
Annotation	Cimigenol
Peak:m/z	Relative Intensity
51.60766	1.0
55.55658	1.0
59.01245	2.9
60.99187	3.5
71.04897	1.1
71.52443	1.5
73.61311	1.0
78.83134	1.1
97.06470	1.5
101.27958	1.0
131.77597	1.1
135.04405	2.8
155.25453	1.1
158.24466	1.0
160.91710	1.0
179.03439	3.6
181.22148	1.0
405.31653	2.9
407.33472	5.4
408.06760	1.2
409.31021	2.0
423.32797	4.6
427.31885	1.4
441.33722	9.3
442.34116	1.6
451.31949	1.4
453.33789	5.9
454.34052	1.6
467.31601	10.5
468.32040	1.6
469.33197	10.6
470.33624	2.8
487.34311	100.0
488.34665	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	487.3429
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
58.00474	0.3
59.01257	0.2
60.99175	0.9
68.08147	0.3
69.52206	0.2
70.37669	0.5
71.01279	0.2
71.04896	1.2
72.02000	0.2
83.04901	0.4
97.06431	0.3
98.19667	0.2
129.51816	0.2
135.04430	1.1
161.02353	0.6
179.03404	1.8
205.15996	0.4
234.93375	0.2
351.26965	1.0
369.28021	0.4
377.28510	0.4
385.28012	0.3
393.31619	0.8
407.33286	0.8
423.33011	1.8
424.32925	0.4
425.34842	0.3
426.02975	0.3
427.32175	1.0
437.30530	0.4
439.32678	0.3
441.33582	0.5
467.31958	0.4
469.33301	2.5
470.33490	0.7
485.32523	0.7
487.34308	100.0
488.34628	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	487.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99175	0.3
64.00555	0.2
102.43047	0.2
109.23423	0.2
114.22550	0.2
115.75298	0.2
122.82307	0.2
135.84369	0.2
179.03471	0.3
204.95247	0.2
209.86246	0.2
214.03380	0.3
227.45424	0.2
254.70856	0.2
316.31586	0.3
391.30182	0.3
393.31671	0.4
409.31107	0.7
469.33301	1.2
487.34262	100.0
488.34622	18.3
504.11194	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60632	0.3
58.00463	1.7
63.58173	0.3
69.68005	0.4
70.81020	0.5
71.04882	0.5
97.06535	0.4
98.80664	0.3
102.62060	0.4
179.76775	0.4
194.10139	0.4
363.72357	0.4
377.28455	2.2
389.28183	0.5
391.26083	0.5
393.31805	3.0
394.31958	0.7
403.30042	0.6
405.31677	1.1
423.32758	8.7
424.33151	1.8
425.26608	0.6
425.34515	2.2
426.34531	0.6
437.30817	0.4
439.32126	0.5
441.33823	3.7
442.34012	0.9
457.33276	1.6
467.31879	2.3
468.32233	0.5
469.33249	6.9
470.33627	1.9
487.34277	100.0
488.34631	20.6
488.41904	0.8
513.32520	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
79.37698	0.2
90.24268	0.2
124.71018	0.3
439.32639	0.3
441.32861	1.3
443.35068	1.1
469.33136	1.6
487.34268	100.0
488.34613	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	487.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32085	0.4
67.04525	0.3
69.88580	0.4
71.04899	1.2
71.10077	0.7
73.82548	0.4
93.51971	0.4
103.59296	0.4
139.98929	0.3
274.31482	0.4
407.33163	1.4
423.32755	1.0
425.34183	1.3
427.32199	1.8
443.35400	0.6
455.31909	0.4
467.32288	0.7
469.33243	15.0
470.33554	2.6
487.34290	100.0
488.34601	18.3
488.41824	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.343
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.66118	0.2
69.19452	1.8
117.30832	0.2
120.86404	0.2
487.34299	100.0
488.34647	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	487.3429
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
59.01242	1.1
59.33830	0.3
69.39523	2.6
98.20574	0.7
104.20902	0.3
119.34409	0.3
135.04445	0.6
179.03470	0.9
188.57880	0.4
409.31110	0.3
439.32172	0.7
441.33597	0.4
443.31238	0.5
487.34308	100.0
488.34650	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	487.343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.7
60.99160	0.8
61.16292	0.7
61.49399	0.8
71.04888	1.4
71.29138	0.9
78.64147	0.7
95.48654	0.9
97.06464	4.5
100.91205	0.6
103.31870	0.8
176.05266	0.8
179.03401	1.2
191.14265	0.9
211.42400	0.7
240.60449	0.8
389.28467	1.5
391.30334	3.8
392.30429	0.9
405.31625	4.9
406.32233	0.8
407.33286	9.3
408.33676	2.2
409.30902	1.1
423.32666	2.2
437.30484	2.2
439.32367	1.4
441.33701	19.1
442.34384	3.3
449.30652	0.9
451.32092	17.5
452.32513	3.3
453.33716	100.0
454.34100	18.5
457.32431	1.4
467.31744	2.8
469.33139	6.3
470.33499	1.9
471.34494	1.5
487.34259	20.3
488.34521	3.6
497.32706	2.2
513.31689	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	3.4
70.88654	2.0
70.88983	2.9
77.81018	2.0
86.36283	1.9
97.06499	4.7
107.59100	1.4
120.18694	1.6
125.09633	2.3
130.18787	1.6
135.04428	4.3
148.78633	1.4
161.02342	2.6
179.03403	12.1
212.41753	1.5
243.05133	1.7
243.79236	1.7
391.30148	3.3
405.31549	3.9
407.33182	11.1
409.31638	2.2
423.33069	2.7
439.32278	2.8
441.33621	15.0
443.36307	2.0
449.30917	2.4
451.32196	15.3
452.32693	3.5
453.33734	94.5
454.34039	16.7
467.31439	3.9
469.33313	11.2
470.33554	2.2
471.34683	2.0
485.32663	2.4
487.34354	100.0
488.34753	19.2
497.32626	2.1
513.31921	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	489.1039
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
59.01250	10.5
59.80146	0.4
61.24379	0.4
61.98692	1.2
63.02251	0.6
65.00199	0.6
69.30690	3.2
71.01252	4.6
72.99167	0.9
73.02810	1.1
75.00757	0.5
77.79233	0.4
83.01254	1.1
85.02818	1.7
87.00752	0.4
89.02334	2.8
89.89830	0.4
91.01782	0.6
93.03336	2.5
95.01262	0.8
96.95884	0.4
98.19828	0.6
99.00778	1.6
99.04397	0.6
101.02338	3.1
105.40148	0.4
107.01264	2.1
108.02035	0.5
109.02798	0.6
113.02331	2.8
117.03367	0.6
119.03355	1.1
119.04925	3.7
132.02037	1.2
133.02888	0.6
135.00769	1.7
135.04416	1.8
136.62531	0.4
137.02333	1.1
141.07127	0.4
143.03432	2.6
143.04971	0.5
145.02925	0.8
147.77620	0.4
151.00221	1.6
152.01047	0.7
153.01854	0.5
156.05756	0.4
157.06503	0.6
159.04396	1.4
161.02364	1.6
161.04512	0.8
163.00281	2.3
163.03912	1.4
164.01073	0.5
167.03464	0.6
167.04857	0.9
169.06505	0.9
171.04399	0.7
179.03430	1.5
180.03786	0.5
183.04399	1.0
184.51273	0.4
185.05966	1.8
187.03972	2.7
189.05519	0.6
195.04420	0.8
197.05933	1.3
199.03951	1.1
211.03931	2.9
212.04488	0.5
213.05490	1.6
227.03445	32.4
227.06850	1.0
228.03769	2.9
228.70613	0.5
229.05016	10.3
230.05443	0.5
239.03381	1.9
240.04115	0.6
241.05023	0.9
255.02963	68.6
256.03427	8.9
257.04532	5.8
261.05383	1.0
267.02954	0.7
283.02435	0.9
284.03253	89.2
285.04001	100.0
286.04358	8.6
318.64868	0.5
328.55463	0.5
345.15497	1.7
346.15860	0.4
357.19070	0.9
380.44763	0.4
445.19928	0.4
481.67761	0.5
489.10358	39.7
490.03873	0.3
490.10742	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	489.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	2.7
57.33887	1.5
59.01249	17.6
59.22928	1.5
69.43351	6.0
69.43781	4.8
71.01251	100.0
72.99178	32.3
83.01234	1.6
84.30589	1.5
85.02824	5.0
85.09513	1.9
87.00751	30.5
89.02314	10.0
98.20522	3.6
101.02324	5.6
113.02310	4.9
115.00257	26.8
119.03404	6.3
129.01770	9.8
133.01289	1.9
147.02895	76.7
147.06538	2.7
148.03307	1.8
150.63757	1.5
161.04486	2.7
179.05533	6.5
285.04022	2.9
341.10822	23.2
342.11398	1.9
387.80276	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	489.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	13.5
63.81176	0.9
71.01251	6.7
71.51391	1.3
73.02804	1.6
78.95763	1.1
83.01270	1.3
85.02810	2.7
89.02306	5.4
91.15884	1.2
101.02321	7.7
113.02316	2.1
114.07751	0.9
117.03348	21.0
118.03685	1.2
119.03465	2.0
119.04914	28.9
120.05256	1.2
133.06499	3.0
143.03477	1.1
145.02858	100.0
146.03214	5.5
161.02386	1.0
161.04619	1.9
161.05962	9.1
163.03918	51.8
163.06024	2.2
164.04247	2.5
177.05490	3.0
181.07039	2.6
205.05014	9.7
235.06093	4.1
265.07043	8.7
266.07574	1.1
279.04849	1.0
307.08154	2.0
316.75159	1.0
325.09131	1.8
325.11716	1.3
343.12375	2.4
489.16129	82.7
490.16476	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	489.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30838	2.7
53.51993	3.1
57.03307	6.3
58.14087	3.6
59.01252	100.0
60.01561	3.5
65.54430	3.6
69.67323	19.0
71.01250	46.7
72.99160	3.7
73.02831	8.5
83.01297	3.8
85.02817	36.9
87.00743	4.8
89.02316	31.4
95.01264	15.8
101.01694	3.2
101.02338	15.0
113.02331	95.4
119.03407	8.0
119.54163	4.0
135.04424	17.6
143.03403	6.2
161.02377	6.8
161.04472	29.2
179.03416	9.9
180.03728	6.6
246.22896	3.5
280.97568	3.3
287.99585	4.1
412.38934	4.3
429.17627	15.6
451.21460	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	489.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88800	1.2
57.03328	45.2
58.00462	3.0
58.02857	1.9
59.01253	90.1
60.01587	2.2
61.98698	3.7
65.20228	1.3
70.76430	1.2
71.01256	45.3
72.99175	4.2
73.02818	16.4
74.02341	3.1
74.40720	1.2
75.00748	3.8
83.01275	7.4
83.04883	2.3
85.02819	14.5
87.00763	4.2
87.05487	2.4
89.02322	24.1
93.03294	1.3
95.01250	4.5
96.04418	2.1
97.02834	2.5
97.03967	1.5
98.02383	1.4
99.00771	3.6
99.04391	6.7
99.05522	1.9
101.02325	39.0
102.02644	2.3
103.26328	1.2
108.04411	1.3
110.02370	1.4
111.00769	2.1
112.03967	1.8
112.07571	2.0
113.02327	17.1
117.03324	6.0
119.03387	11.7
119.04922	3.6
121.10125	3.3
123.04409	1.9
124.03974	1.6
125.02346	4.3
125.04734	1.2
127.04973	2.2
133.02863	2.9
135.04430	9.1
136.04730	2.7
140.07106	3.1
143.03537	1.6
145.02849	22.7
149.04439	1.7
153.09088	1.4
155.08173	5.3
161.02330	6.0
161.04466	4.1
163.03886	2.9
165.06602	4.3
165.09105	17.0
179.03404	9.4
179.05547	1.4
180.03897	4.7
180.24411	1.3
181.03931	3.0
183.07669	8.1
183.10187	3.5
187.11385	1.4
203.05437	1.9
207.10204	1.4
227.06711	15.7
261.05518	26.4
262.05548	1.9
285.03949	4.1
307.08157	2.4
309.12134	3.7
327.14355	4.3
345.15527	100.0
346.16000	9.6
387.16611	59.1
388.17007	7.6
425.42841	1.4
427.19666	14.7
428.20242	1.7
445.15060	6.3
445.20584	2.7
456.65176	1.5
489.14102	1.8
489.19748	21.2
489.27112	11.0
490.19919	2.7
490.27097	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88800	1.2
57.03328	45.2
58.00462	3.0
58.02857	1.9
59.01253	90.1
60.01587	2.2
61.98698	3.7
65.20228	1.3
70.76430	1.2
71.01256	45.3
72.99175	4.2
73.02818	16.4
74.02341	3.1
74.40720	1.2
75.00748	3.8
83.01275	7.4
83.04883	2.3
85.02819	14.5
87.00763	4.2
87.05487	2.4
89.02322	24.1
93.03294	1.3
95.01250	4.5
96.04418	2.1
97.02834	2.5
97.03967	1.5
98.02383	1.4
99.00771	3.6
99.04391	6.7
99.05522	1.9
101.02325	39.0
102.02644	2.3
103.26328	1.2
108.04411	1.3
110.02370	1.4
111.00769	2.1
112.03967	1.8
112.07571	2.0
113.02327	17.1
117.03324	6.0
119.03387	11.7
119.04922	3.6
121.10125	3.3
123.04409	1.9
124.03974	1.6
125.02346	4.3
125.04734	1.2
127.04973	2.2
133.02863	2.9
135.04430	9.1
136.04730	2.7
140.07106	3.1
143.03537	1.6
145.02849	22.7
149.04439	1.7
153.09088	1.4
155.08173	5.3
161.02330	6.0
161.04466	4.1
163.03886	2.9
165.06602	4.3
165.09105	17.0
179.03404	9.4
179.05547	1.4
180.03897	4.7
180.24411	1.3
181.03931	3.0
183.07669	8.1
183.10187	3.5
187.11385	1.4
203.05437	1.9
207.10204	1.4
227.06711	15.7
261.05518	26.4
262.05548	1.9
285.03949	4.1
307.08157	2.4
309.12134	3.7
327.14355	4.3
345.15527	100.0
346.16000	9.6
387.16611	59.1
388.17007	7.6
425.42841	1.4
427.19666	14.7
428.20242	1.7
445.15060	6.3
445.20584	2.7
456.65176	1.5
489.14102	1.8
489.19748	21.2
489.27112	11.0
490.19919	2.7
490.27097	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.3
57.03317	1.5
58.00476	1.6
59.01251	86.8
60.01589	1.1
69.03339	1.0
69.34216	1.0
69.34621	2.9
71.01254	44.2
71.04898	1.0
72.99182	2.5
73.02818	34.9
74.03156	0.8
81.03320	0.7
83.01257	4.8
84.70392	0.5
85.02821	9.1
87.00765	1.1
89.02318	37.6
90.02643	1.0
95.01269	1.9
95.15405	0.6
97.02853	1.4
99.00758	100.0
100.01115	2.1
101.02325	21.0
109.19392	0.6
111.00765	0.8
113.02338	19.1
114.02721	0.7
119.03385	6.0
125.02344	5.0
131.03407	11.9
132.03728	0.6
135.04463	1.0
135.08031	0.6
143.03429	4.2
149.04462	29.6
150.04848	0.7
155.03418	4.2
157.67291	0.5
161.02332	1.5
161.04456	10.2
162.04890	0.8
169.11998	0.6
179.03450	1.0
179.05525	1.4
191.05542	42.2
192.05873	2.5
203.05550	14.1
233.06580	2.5
337.38287	0.5
447.22214	8.2
448.22638	1.3
470.33417	1.5
471.33389	1.1
471.89117	0.5
473.14099	0.6
482.31116	0.6
488.28253	0.6
488.34671	6.9
489.22980	12.2
489.35086	15.8
490.23279	2.7
490.34961	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24500	0.7
52.72445	0.7
53.72367	0.9
53.91427	0.8
55.01759	2.2
57.03318	3.8
58.00458	1.7
59.01253	29.4
61.98703	1.5
64.19303	1.0
69.03322	3.3
71.01254	47.6
71.04883	2.1
72.99174	6.9
73.02821	29.5
75.84222	0.8
78.95769	0.9
79.26270	0.7
81.03335	1.8
83.01259	4.3
84.02026	1.0
85.02833	17.3
85.88858	0.8
87.00751	10.6
87.04355	1.0
89.02321	14.6
90.02686	0.8
95.01257	5.3
97.02837	2.9
97.06461	1.5
99.00758	44.4
100.01084	1.3
101.02326	22.7
101.05958	3.1
102.02625	1.1
104.06576	0.8
110.13107	0.8
113.02334	22.5
119.03387	2.8
124.01547	1.1
125.02360	6.6
131.03381	5.3
135.04413	1.9
136.85500	0.9
137.02341	0.8
143.03409	2.8
149.04453	7.6
161.04451	5.8
177.12755	1.1
179.03441	1.8
179.14352	0.9
183.13820	4.4
191.05528	14.1
191.14311	2.3
192.05685	1.0
195.13843	57.8
196.14249	4.4
207.13861	1.7
209.15417	21.8
210.15865	1.8
213.14911	31.2
214.15262	2.0
219.13824	4.2
225.14853	1.7
227.16557	2.0
237.14935	12.9
242.35243	0.8
253.14423	1.1
255.15912	2.1
256.83188	1.0
267.15842	1.6
291.15988	1.7
297.17053	2.2
339.18106	3.4
357.19186	57.2
358.19492	6.5
359.25851	0.9
375.20126	1.9
415.73889	0.9
430.59433	1.0
453.30209	1.0
471.31201	3.2
489.23398	100.0
489.32037	21.6
490.23709	19.0
490.32358	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	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.5
57.03318	1.9
58.00469	1.7
59.01252	88.2
60.01573	1.0
61.03368	0.5
69.03339	1.2
71.01256	42.0
71.04876	1.0
71.52313	0.8
72.01585	0.5
72.99174	1.5
73.02820	33.5
74.03176	0.8
75.00744	1.0
77.87624	0.6
81.03317	1.0
83.01263	4.3
85.02824	9.1
87.00739	1.4
89.02320	38.8
90.02660	1.3
95.01259	2.1
97.02840	1.4
99.00758	100.0
100.01086	2.4
101.02324	22.0
102.02647	0.7
111.00768	0.9
113.02336	17.8
119.03379	5.2
125.02348	4.3
131.03391	11.4
135.04395	1.0
143.03432	2.9
149.04459	28.6
150.04764	0.6
155.03358	3.6
156.58147	0.6
161.02353	1.8
161.04471	10.5
179.03366	1.3
179.05554	1.2
181.03810	0.7
191.05548	40.2
192.05913	2.3
203.05545	16.3
203.06914	0.5
204.05843	0.9
209.11926	0.6
233.06618	4.0
239.89262	0.7
281.17661	0.8
447.22342	8.3
470.33368	0.8
471.33731	1.6
488.34607	7.2
489.22910	11.8
489.35043	16.9
490.23477	1.9
490.35278	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.6
57.67083	0.4
59.01249	100.0
60.01591	1.3
60.20430	0.5
61.98705	2.2
71.01248	7.7
71.52320	0.7
72.99180	1.9
73.02827	1.5
73.98757	0.5
75.00745	1.2
78.95789	1.8
83.01258	2.2
85.02833	2.2
85.55662	0.5
87.00768	1.4
89.02313	4.3
96.96840	0.6
99.00757	2.0
101.02325	5.7
106.40303	0.5
109.02858	1.0
109.23515	0.5
113.02340	3.5
119.03378	1.4
119.04946	1.2
121.02819	0.6
125.02313	0.7
127.00331	0.6
133.02847	0.6
135.04405	1.4
143.03435	0.9
145.02896	0.6
145.32153	0.6
151.03827	0.5
152.99500	2.0
161.02415	1.6
161.04465	2.7
161.09741	0.6
163.03920	1.2
164.04797	0.5
165.01862	0.7
171.10214	4.7
179.03500	1.6
179.05510	0.7
181.05034	0.7
191.05612	0.7
199.09636	1.0
201.11259	0.8
207.10391	0.6
207.13762	0.9
222.47295	0.7
228.31911	0.6
285.03995	0.6
288.14609	0.6
304.59399	0.5
306.40112	0.6
399.14346	1.6
411.20200	2.6
429.21426	1.5
433.09854	0.6
453.15210	0.6
489.15781	1.8
489.20123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.7
57.03326	1.3
58.00470	0.7
59.01252	12.9
61.98689	0.6
69.03325	0.6
69.17397	2.6
71.01254	10.2
71.04895	0.4
72.99181	0.7
73.02809	2.2
76.87783	0.2
80.02549	0.3
81.03346	0.4
83.01290	1.1
83.04893	0.3
85.02825	4.4
87.00728	0.5
89.02316	4.1
95.01266	1.0
97.02780	0.4
97.06453	1.4
97.49563	0.3
99.00748	0.8
99.04424	0.3
99.08047	0.3
101.02319	4.9
109.06478	0.3
111.00745	0.3
111.08020	0.3
112.05186	0.7
113.02320	2.8
115.07578	0.4
119.03399	1.5
121.10121	0.3
123.08083	0.3
125.09641	1.2
127.11179	1.5
129.01802	0.3
129.09123	0.4
135.04446	0.4
136.04480	0.3
137.09637	0.7
141.09088	0.3
143.03400	0.3
145.02919	0.3
155.10687	7.3
155.14273	0.4
156.11032	0.5
161.02425	0.2
161.04485	0.4
163.11224	0.3
164.97852	0.2
165.12724	1.5
167.10715	0.2
167.14279	0.6
171.10182	12.5
172.10500	0.7
179.03285	0.3
179.14279	0.5
181.04022	0.3
181.12280	0.5
183.13792	1.7
185.11722	1.3
193.12292	0.7
193.92363	0.2
195.13834	0.4
197.11679	1.4
201.11224	0.2
209.11784	2.1
211.13333	8.3
212.13686	0.7
213.14859	0.4
221.11794	0.5
223.13315	0.3
227.12856	0.9
229.14406	20.7
230.14804	1.5
234.20520	0.2
239.12857	0.5
247.20622	1.0
257.13916	1.0
291.19684	6.5
292.19949	0.8
299.22110	0.3
309.20703	6.5
310.21091	0.7
311.22342	1.5
312.22629	0.4
327.21759	6.2
328.22052	0.7
391.19748	1.9
429.24728	0.3
471.26013	0.5
489.27042	100.0
490.27399	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	489.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.6
55.46020	0.5
57.03316	1.1
57.34910	0.4
58.00467	1.8
59.01254	39.6
70.38538	0.4
71.01257	20.6
71.04912	0.8
72.96336	0.5
72.99180	1.8
73.02821	2.0
78.95778	0.9
83.01279	1.3
83.04874	0.5
85.02824	4.5
87.00746	0.7
89.02316	14.5
89.98580	0.5
90.66074	0.5
92.34285	0.6
95.01258	1.7
99.00770	0.7
101.02325	12.0
103.87011	0.4
109.06496	0.7
111.08056	4.0
113.02330	7.0
119.03398	5.2
119.04921	1.2
131.03319	0.5
135.04422	1.1
137.02356	0.9
145.02852	0.7
149.04437	0.5
161.02301	0.6
161.04459	0.6
163.03917	1.0
169.12210	1.2
179.03407	1.4
180.03824	0.5
181.12257	1.2
183.13809	0.6
197.11761	17.6
198.12166	1.3
199.13356	4.0
211.13319	3.5
221.11737	0.7
222.40028	0.5
229.14406	0.8
263.20120	1.2
280.57578	0.6
291.19681	3.6
309.20721	15.7
310.21008	2.0
311.22174	0.7
327.21744	4.0
361.18631	0.9
471.31409	0.9
489.27008	100.0
490.19528	1.0
490.27243	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	489.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.3
57.03322	1.1
59.01252	9.9
60.70999	0.5
61.48315	0.5
69.03322	0.7
71.01250	8.5
72.99191	1.0
73.02820	1.7
79.15835	0.4
83.01263	0.9
83.04892	0.5
85.02818	4.2
87.00751	1.5
89.02314	3.1
91.74556	0.5
95.01260	0.9
97.06464	1.9
99.00796	0.6
101.02335	3.5
112.05171	1.0
113.02293	3.0
119.03414	0.8
119.66569	0.5
121.10104	0.5
125.09610	1.6
127.11163	2.3
135.04463	0.5
137.09613	0.9
141.09125	0.5
155.10689	9.3
155.14334	0.7
163.11176	0.6
165.12744	1.3
167.14285	0.6
171.10178	15.2
172.10384	0.5
183.13797	2.4
185.11786	1.6
193.12132	0.8
197.11732	1.6
205.04729	0.4
209.11784	2.0
211.13336	10.3
212.13443	0.5
221.11687	0.5
227.12817	1.3
229.14410	28.1
230.14754	1.8
237.75555	0.5
239.12672	0.7
247.20752	1.0
257.13907	1.1
258.14725	0.5
261.98831	0.5
273.18796	0.7
281.34482	0.5
291.19690	5.7
309.20688	6.7
310.20917	0.5
311.22226	2.4
327.21768	6.9
391.19714	2.9
471.25562	0.7
489.27039	100.0
490.27362	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	489.3585
Annotation	Armatinol B
Peak:m/z	Relative Intensity
51.71292	0.3
53.74062	0.2
55.07166	0.2
57.03317	0.6
58.00491	0.3
59.01251	3.5
61.98699	0.5
68.36515	0.3
70.48309	0.5
70.48703	0.6
70.72439	0.2
71.01265	1.2
71.04886	2.4
72.24299	0.3
72.60021	0.2
72.99185	0.3
73.02829	0.5
78.95779	1.5
83.04862	0.4
85.02846	0.3
89.02350	0.5
100.28313	0.3
101.02339	0.4
109.06513	0.4
136.04837	0.3
137.09724	0.3
143.17461	0.3
145.68961	0.3
152.99500	0.5
176.07443	0.3
209.98782	0.3
237.15204	0.4
265.21704	0.6
267.19800	0.6
275.20294	0.3
281.21332	0.5
285.18564	0.6
293.21304	0.5
327.21729	0.5
383.26364	0.3
401.26782	0.5
425.34552	0.4
427.31900	1.4
429.33676	6.2
430.34229	0.9
443.31741	0.7
471.30569	1.5
473.32834	0.4
489.36066	100.0
490.26117	0.6
490.36420	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	489.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50232	0.2
50.92928	0.2
57.03325	1.0
59.01239	0.6
70.90498	0.4
71.04892	0.4
74.37972	0.2
78.95744	0.2
148.68640	0.2
162.71245	0.2
187.00848	0.2
369.31528	0.2
375.44379	0.2
385.30853	0.3
397.30899	0.2
411.32983	0.2
427.32050	0.3
429.33786	1.0
445.36261	1.2
470.32120	0.2
489.35831	100.0
490.36230	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	489.359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.7
59.01241	4.7
60.18118	0.5
61.98716	0.7
62.35555	0.5
66.06580	0.5
68.80225	0.6
70.71072	0.7
70.71414	1.3
71.01281	0.5
71.04887	2.2
73.02840	0.6
76.74438	0.5
78.95777	9.5
82.83710	0.6
83.04907	1.2
85.02905	0.6
95.04932	0.5
96.96811	0.7
97.06480	0.5
106.56049	0.6
109.06490	1.1
113.02322	0.8
113.09625	3.3
117.09072	0.5
132.66518	0.5
152.99498	1.9
171.00578	1.4
179.10733	0.7
191.14409	0.6
195.13873	0.7
214.04849	0.9
223.13272	0.9
237.14853	0.8
255.05614	0.6
293.21237	22.2
395.29626	1.0
397.30933	1.4
401.34158	1.6
411.32803	1.1
413.34515	0.6
425.30298	0.7
427.36081	7.1
428.36539	1.3
429.33734	0.9
429.51981	0.6
443.35992	1.2
445.31729	1.1
445.37476	16.2
446.37827	2.7
466.70572	0.6
471.31375	1.9
489.36273	100.0
490.26385	7.0
490.36694	18.6
499.73434	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27461	0.6
58.66193	0.6
59.01250	3.9
61.98706	3.5
66.60094	0.6
69.80858	2.9
71.01243	1.5
71.04892	3.1
76.51994	0.6
78.95776	16.5
95.84124	0.6
97.06475	1.3
98.71382	0.6
110.98446	0.7
113.02322	1.0
140.01115	4.3
152.99478	2.8
161.96027	0.7
167.10620	1.0
171.00557	1.1
179.14246	1.6
195.13855	9.8
196.03673	2.1
196.14384	1.2
205.12209	1.4
211.13368	0.9
214.04839	4.5
223.13335	9.1
224.13728	1.0
228.13585	0.7
239.12628	0.8
246.09045	0.6
256.13110	2.2
275.20126	3.6
291.19608	1.5
293.21225	100.0
294.21552	11.1
315.05212	0.8
323.22180	6.2
339.10492	0.6
444.31534	0.8
472.31314	0.8
489.35239	10.9
490.25717	26.7
490.34140	12.5
491.25342	6.9
491.33502	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0833
Annotation	Tricetin 3'-methyl ether 7-glucuronide
Peak:m/z	Relative Intensity
55.01753	0.3
57.03299	0.8
59.01252	7.8
61.90601	0.2
61.98692	0.5
63.02257	0.6
65.00200	3.8
67.01715	0.2
68.99658	0.5
71.01250	5.6
72.99176	1.1
73.02804	0.9
83.01248	1.1
84.02029	0.5
85.02825	8.3
87.00761	1.6
87.04375	0.3
89.02318	2.1
93.03335	0.3
95.01268	3.2
99.00752	3.3
101.02340	1.5
103.00265	1.1
106.04095	0.4
107.01271	1.3
108.02037	0.8
108.99207	0.3
109.02802	0.3
109.99966	0.9
111.00775	0.6
113.02333	14.0
114.02689	0.3
115.00240	0.8
117.01802	0.9
117.03333	0.6
119.03437	0.6
119.04918	12.7
120.05235	0.5
121.02806	0.3
121.06467	0.8
123.00758	0.3
123.04395	0.8
124.01550	0.4
125.02326	0.4
129.01814	0.8
130.15683	0.2
132.01974	0.3
133.02869	0.9
134.03651	1.1
134.26328	0.2
135.04387	0.6
136.98700	5.0
137.02286	0.5
139.00182	0.6
143.03455	0.2
145.02878	1.4
147.04369	0.3
148.01541	0.7
149.99460	0.7
151.00291	4.1
152.00914	0.3
157.01305	0.3
158.03554	0.3
160.01569	0.7
161.02325	0.5
161.04488	0.5
161.05925	0.5
163.00223	0.5
163.03922	13.3
164.01038	0.6
164.04266	0.6
165.01851	2.3
165.05452	1.3
165.13962	0.2
165.98923	1.0
166.99588	0.2
169.01379	0.3
171.04402	0.3
172.05185	0.5
173.02382	0.3
174.03134	0.7
175.00204	0.3
175.00893	0.3
175.02371	3.3
175.03883	0.9
177.01880	0.6
177.05443	0.3
178.99782	2.6
179.05537	0.4
183.06534	0.7
185.02356	0.5
186.03082	0.2
186.34790	0.2
187.03905	0.4
188.04683	0.4
190.99797	0.3
199.03987	1.2
200.04723	1.1
201.01860	1.7
202.02641	1.1
203.03380	0.4
205.04849	0.3
211.03981	0.5
212.04591	0.3
213.02014	0.3
214.02612	0.6
215.03439	0.6
216.04196	1.7
217.04674	0.3
226.02480	0.3
227.03424	2.0
228.04170	1.4
229.01469	0.3
229.55809	0.3
230.02124	0.5
231.02982	0.3
235.06122	0.3
239.03419	0.3
241.01450	0.4
243.02951	1.9
244.03647	0.7
254.02115	0.4
255.02924	4.0
256.03616	1.4
259.02454	0.7
265.07187	0.9
269.13971	0.4
271.02454	2.2
271.05389	0.4
272.03253	3.1
273.03833	0.4
282.01846	0.3
283.02515	4.8
284.03238	2.4
285.03818	0.6
287.02206	0.4
287.05542	0.7
297.03915	0.3
298.04776	0.9
299.01950	1.2
299.05365	0.6
300.02737	51.8
301.03091	4.7
307.08325	0.3
314.04260	0.4
315.05093	100.0
316.01764	0.5
316.05405	9.7
325.09164	0.5
337.09299	0.3
357.06268	0.5
387.13440	0.3
431.22693	0.5
459.05960	0.4
465.43976	0.3
475.08936	0.3
491.08588	3.8
491.15439	0.6
491.21854	0.3
491.28784	0.6
492.09244	0.5
492.15561	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00956	0.8
59.01254	15.0
61.98700	1.6
71.01263	8.5
72.23953	0.5
72.99172	0.7
73.02814	2.3
75.00744	2.3
76.73668	0.5
81.03307	0.7
83.01250	0.7
85.02824	3.1
87.00757	0.7
89.02322	3.4
91.08286	0.5
93.03339	1.5
95.01259	1.3
99.00759	2.2
101.02337	4.2
108.02056	37.0
109.02856	20.5
110.03218	0.6
113.02342	4.0
117.03313	0.8
119.03372	1.5
119.04914	3.1
123.00745	0.8
123.04380	1.2
125.02243	0.6
132.02075	4.7
133.02867	3.0
134.03639	6.2
135.04457	3.1
137.02335	2.4
141.94301	0.5
147.09064	0.6
149.05986	0.9
152.01065	44.8
152.11978	0.5
153.01859	19.8
153.05501	0.7
154.02151	0.6
160.01578	22.1
161.02362	13.1
161.04457	1.9
163.03928	3.4
165.01918	0.6
167.03397	1.3
175.03931	16.6
176.04137	0.7
179.03477	1.1
179.05539	0.8
183.06519	0.7
193.04967	2.7
198.03220	0.6
221.04694	0.7
226.02638	2.3
227.03413	1.5
242.02193	1.6
243.03015	2.8
243.06595	0.8
269.54697	0.6
270.01685	2.3
271.02518	4.0
285.04022	5.1
299.01871	4.5
300.02429	1.0
313.03537	8.0
314.04102	1.9
315.07330	13.9
316.07437	1.3
323.07657	2.7
328.05896	0.9
329.06747	1.3
337.09363	1.8
347.17206	1.2
359.20728	0.7
431.22809	1.3
447.13153	1.2
459.09546	0.7
461.07227	5.3
476.09628	3.2
477.09470	0.8
491.11948	100.0
492.12253	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	491.1561
Annotation	Monnieraside II
Peak:m/z	Relative Intensity
57.03321	1.0
59.01252	16.9
61.98696	1.6
69.29295	1.2
69.29697	3.5
71.01257	8.8
71.04850	0.5
72.99205	0.7
73.02826	2.6
75.00757	1.7
83.01250	1.1
85.02827	2.5
87.00761	1.0
89.02317	3.1
93.03342	0.7
94.89135	0.5
95.01264	0.8
95.04910	1.2
97.02834	0.6
99.00748	1.4
101.02317	5.4
108.02048	0.6
109.02818	0.8
111.00726	0.9
113.02332	3.4
117.03373	0.8
119.03432	0.8
119.04919	1.1
121.02872	0.8
122.03629	1.7
123.04410	100.0
124.04730	3.7
132.02068	7.5
133.02861	1.4
134.03625	16.1
135.04379	1.2
137.02324	1.2
143.03377	1.1
145.02826	1.2
149.04915	0.6
149.05986	3.2
151.03960	0.7
151.11049	0.5
153.05479	95.2
154.05830	3.7
159.02924	0.5
160.01570	43.4
161.01947	2.6
161.04512	1.6
175.03925	56.8
176.04250	3.9
177.01851	0.5
178.02681	1.2
179.03429	1.1
179.05472	1.1
191.07002	0.7
193.04994	14.3
194.05330	0.9
195.10223	0.6
197.05998	1.3
217.04996	0.8
235.06120	0.6
312.37640	0.5
315.10785	1.5
336.13480	0.5
337.09283	74.6
338.09579	7.4
347.17023	1.7
359.20731	0.6
366.58084	0.6
375.16608	0.6
388.08282	0.5
429.21143	0.6
431.26917	1.1
490.11679	0.6
491.15186	2.6
491.20074	0.7
491.21539	1.1
491.28564	1.3
492.15759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1559
Annotation	Decumbeside A
Peak:m/z	Relative Intensity
51.03904	1.9
53.57327	1.7
57.03309	1.9
59.01250	55.0
61.98684	5.6
66.84618	1.9
69.79404	10.2
71.01255	27.7
72.99152	2.7
73.02808	3.4
75.00761	3.0
82.59000	1.7
85.02816	7.7
87.00779	2.8
89.02313	20.2
91.31658	1.9
93.03346	4.2
93.06977	3.0
93.49889	2.0
95.01242	2.8
97.02772	2.1
98.19909	2.6
99.00758	5.3
101.02326	13.1
106.04124	2.8
110.23375	2.1
113.02349	10.2
117.03329	24.3
119.03404	6.4
119.04914	63.0
120.05225	2.8
121.02820	7.1
121.06473	33.0
123.04398	3.1
125.02340	2.8
132.05693	3.2
133.06512	15.4
137.05856	2.5
143.03378	3.0
145.02853	100.0
146.03116	3.9
147.04419	4.3
149.04480	2.3
151.00226	3.6
161.02309	2.3
161.04619	4.4
161.05978	33.7
162.03000	2.5
163.03917	73.3
164.04233	3.9
165.05481	35.5
177.05498	12.2
179.03506	2.5
179.05466	5.6
187.03833	2.6
205.04988	45.6
207.06706	2.4
208.41496	2.1
209.11725	2.9
217.05104	2.2
235.06078	47.3
236.06377	4.1
265.07150	92.8
266.07434	6.5
307.08255	2.6
311.09140	3.3
315.04950	3.7
325.09155	20.0
329.10925	2.1
345.11969	4.1
418.80228	1.9
431.22653	3.8
491.15372	16.8
491.21625	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61478	0.9
57.03322	1.0
59.01251	21.6
61.98689	1.0
68.22242	1.0
69.51314	2.9
69.51715	2.5
71.01256	15.6
73.02820	3.3
76.36581	1.0
83.01247	2.1
85.02824	5.1
87.00772	2.3
89.02330	6.6
89.64125	1.1
93.03338	3.9
98.19798	1.8
99.00770	2.5
101.02318	8.5
106.04131	3.6
113.02335	6.3
117.03345	22.0
119.03497	2.0
119.04914	67.6
120.05276	3.4
120.99551	1.6
121.02834	4.5
121.06470	32.1
122.06805	2.0
123.04438	1.8
131.04924	1.9
132.05698	3.9
133.06500	15.0
135.04398	3.3
137.02313	1.7
143.03444	1.1
145.02855	100.0
146.03217	6.3
147.04385	1.5
150.03116	3.5
151.00349	1.2
159.04366	2.3
160.05162	1.1
161.02339	1.5
161.04626	2.8
161.05994	40.4
162.06334	1.7
163.03917	68.5
164.04240	4.3
165.05492	33.8
177.04060	1.5
177.05499	15.3
179.03447	1.2
179.05505	1.5
187.03941	4.1
198.11273	1.4
204.26192	1.2
205.05005	49.1
206.05362	3.1
207.36627	1.1
212.32365	1.0
235.06087	38.9
236.06410	2.4
265.07159	84.5
266.07568	5.9
307.08060	5.0
315.05066	1.4
325.09290	18.4
326.09625	1.2
345.11813	2.2
360.16696	2.8
431.22812	1.6
473.14615	5.8
491.15579	2.4
491.25174	3.5
492.21060	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	491.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53844	1.0
57.03325	1.4
59.01250	37.5
60.01563	0.9
61.98672	1.0
66.60072	1.0
69.44270	7.6
71.01252	15.2
72.99169	2.3
73.02812	2.9
75.00750	1.2
79.21243	0.8
83.01256	2.0
85.02831	5.3
87.00735	2.1
89.02319	9.4
93.03358	3.6
99.00766	2.7
99.04378	1.1
101.02325	9.7
103.05446	1.0
106.04131	2.7
113.02338	8.1
114.95020	0.9
117.03350	21.6
119.03407	4.0
119.04919	52.6
120.05245	2.2
121.02835	3.3
121.06491	27.7
123.04414	2.2
125.02326	1.0
131.03458	1.5
131.04872	1.1
132.05681	3.1
133.02867	1.9
133.06496	11.7
134.03635	1.4
135.04411	3.6
143.03464	2.3
145.02864	100.0
146.03204	5.9
147.04375	2.0
161.02380	2.2
161.04599	3.2
161.05995	35.6
162.03062	1.0
162.06325	1.7
163.03929	60.4
164.04254	3.4
165.05486	31.6
166.05917	1.3
167.03412	2.2
176.06877	1.0
177.05504	16.3
179.03352	1.3
179.05574	2.4
184.10774	0.9
187.03958	3.3
192.61420	1.0
205.05009	43.3
206.05353	3.7
235.03725	2.2
235.06094	40.3
236.06409	3.2
265.07159	78.4
266.07364	5.8
269.17514	1.1
307.08313	4.1
323.07596	2.9
325.09241	16.7
326.09250	1.1
345.11877	1.9
431.22836	7.8
453.23343	4.2
491.15527	15.9
491.21445	1.6
492.16089	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	12.4
62.84120	2.3
70.69627	6.0
71.01251	26.7
76.16953	2.1
83.01303	3.5
85.02823	25.4
87.00765	3.9
89.02300	4.8
91.82022	2.2
95.01273	11.8
101.02319	4.9
112.16571	2.5
113.02335	74.7
122.03596	3.3
123.04398	49.6
124.22716	2.7
125.02335	2.5
137.02400	4.1
143.03476	5.1
149.02370	4.3
150.03119	24.0
151.03915	100.0
152.04248	6.2
161.04459	35.7
196.63789	2.7
205.05014	2.7
207.27759	2.5
306.11563	2.8
459.15112	58.1
460.15366	6.0
465.23529	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68348	0.6
53.49638	0.5
59.01254	3.0
63.68235	0.5
71.01260	0.9
71.51974	0.8
78.95779	17.5
80.04993	0.5
83.04881	0.5
114.73093	0.5
120.96871	2.9
138.97937	6.2
152.99500	14.8
156.35173	0.5
170.95435	0.6
195.00609	7.3
213.01643	7.6
213.30768	0.5
213.44362	0.5
267.23230	0.8
277.21722	100.0
278.22092	10.3
473.23096	29.3
474.23495	4.4
491.24130	6.9
491.31494	0.7
491.34827	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.4
57.03320	1.9
59.01249	100.0
61.98708	5.8
69.03296	1.1
71.01252	29.2
72.99179	2.8
73.02818	3.2
75.00740	3.7
76.28110	0.8
83.01269	4.3
85.02820	6.6
87.00745	2.4
89.02320	33.1
93.03313	1.4
95.01289	2.3
97.02876	0.9
99.00761	2.1
101.02325	19.5
102.07281	0.8
109.02867	1.1
109.06464	0.9
113.02328	15.7
119.03390	14.0
119.04929	3.2
121.02853	2.0
125.02332	1.1
127.00266	1.5
131.03397	2.2
134.03638	1.0
135.04379	1.2
137.02364	2.1
139.43811	0.8
143.03401	3.5
145.02861	5.2
149.02293	1.0
149.04407	2.5
149.05968	1.1
150.03122	2.8
157.19450	0.9
160.01543	0.9
161.02344	1.0
161.04460	6.1
161.05786	1.7
163.03906	2.3
165.05476	3.3
168.03024	0.8
175.03925	1.2
179.03320	0.9
179.05545	13.6
193.12262	2.7
193.75764	0.9
195.06593	1.5
205.04948	1.5
235.06131	3.4
240.16522	0.9
251.16360	1.0
265.07162	2.1
269.04315	1.5
269.17523	1.3
285.04153	0.9
311.10440	1.9
329.11331	1.6
389.21747	0.9
431.23264	4.6
491.17648	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01593	1.1
62.31585	0.7
63.31239	0.7
69.07553	0.7
69.66207	0.6
71.01251	11.0
71.20721	0.8
72.99175	1.6
73.02821	1.1
75.00740	1.6
79.61298	0.6
83.01263	1.3
85.02853	2.5
87.00757	1.8
89.02321	15.0
99.04411	1.1
101.02318	6.1
113.02335	5.6
119.03384	4.8
123.04449	1.9
128.78362	0.7
131.03470	0.7
143.03484	2.2
149.06032	1.0
161.04463	5.9
165.64648	0.7
167.07085	1.0
168.02988	1.1
169.12244	1.8
172.49919	0.7
179.05513	6.6
182.09581	0.7
272.31522	0.7
329.12567	0.8
405.36591	0.8
413.21960	1.6
431.22678	4.3
432.23383	1.0
451.57617	0.8
491.17871	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	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.5
57.03326	5.4
59.01252	94.3
60.01567	1.3
61.98720	4.5
66.94550	0.9
69.03341	1.2
71.01257	31.3
72.99175	3.0
73.02817	11.0
75.00749	15.2
83.01271	3.4
85.02825	12.5
85.06449	1.0
87.00759	3.6
89.02313	14.2
90.02770	0.8
93.03339	2.1
95.01263	3.2
95.04894	0.9
97.02819	1.0
97.06465	2.2
99.00767	6.6
101.02331	22.6
105.42886	1.1
105.53830	0.8
107.04919	0.8
108.02066	7.2
108.05248	1.0
108.52917	1.0
109.02852	1.3
111.00737	1.3
113.02333	15.4
114.40551	1.0
115.07522	2.5
117.03350	2.1
119.03397	5.8
119.04918	100.0
120.05245	4.2
121.02856	1.7
123.04424	9.5
125.02350	2.1
133.02838	1.6
134.03668	1.0
135.04414	3.1
137.02353	2.2
143.03415	2.4
145.02901	5.6
149.02287	1.1
149.04453	1.5
151.00220	1.4
151.03874	0.9
152.01053	9.0
153.05487	4.9
155.10716	2.6
159.02943	2.2
160.01558	4.6
161.02341	3.5
161.04462	9.1
161.05814	1.6
163.03923	82.6
164.04291	4.6
166.02623	3.5
167.03415	16.0
167.10693	2.2
168.03761	1.0
171.10243	1.3
175.02574	1.1
175.03885	5.8
177.01874	1.5
177.05527	1.2
179.03442	1.7
179.05556	2.3
181.05025	5.2
185.11632	0.9
191.05537	1.4
193.04919	1.5
198.04070	1.4
199.09674	1.4
201.11308	2.0
205.04996	2.8
235.06013	1.6
265.07101	4.7
269.17395	1.9
273.14182	0.9
285.04050	2.5
287.04858	1.2
299.02057	1.3
300.02731	1.1
311.22223	1.4
313.03574	4.6
314.03873	1.3
315.05048	1.8
328.05905	2.2
329.06647	5.4
329.23056	1.1
337.09271	4.8
347.17188	12.5
358.04324	1.0
359.20737	14.5
360.21063	2.4
371.20740	1.5
382.21350	1.2
389.17682	6.7
389.22049	2.9
431.21854	4.5
431.27548	1.9
449.27588	1.9
458.79758	1.0
491.11688	4.9
491.25052	16.8
492.13165	2.4
492.25418	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	491.2863
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
55.01743	1.3
57.03318	0.9
58.00465	1.6
59.01252	33.9
60.01590	0.7
61.98710	2.6
69.62159	2.9
71.01252	16.5
72.99178	1.7
73.02814	3.7
75.00729	1.5
76.82044	0.5
83.01260	2.1
85.02830	6.5
87.00740	1.8
89.02322	9.1
95.01250	2.1
98.19814	0.6
99.00746	1.0
101.02322	10.2
108.02058	1.2
113.02328	6.7
117.03335	1.5
119.03391	3.5
119.04903	1.6
121.01576	0.7
125.02335	0.7
125.09610	2.5
127.11209	2.9
135.04460	0.8
137.02373	1.4
145.02866	6.7
152.01004	0.8
155.10744	1.5
161.02357	0.7
161.04434	1.3
163.03906	2.0
165.09125	1.2
171.10178	7.4
172.10567	0.8
183.10187	0.9
185.11803	0.9
199.09619	1.6
201.11276	22.8
202.11607	1.3
263.20096	0.8
266.72742	0.6
275.20209	1.2
293.21179	3.7
311.22260	12.3
312.22687	1.6
329.11032	0.9
329.23318	8.9
330.23929	0.8
345.15564	1.2
431.26456	1.6
431.55734	0.6
449.27322	1.3
473.27582	2.1
491.28619	100.0
492.22968	0.7
492.28931	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	491.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72916	0.1
55.01749	0.3
57.03331	0.1
58.00465	0.3
59.01251	4.2
63.89785	0.1
69.29414	1.0
71.01252	3.9
72.99178	0.3
73.02828	0.8
83.01242	0.6
85.02815	1.0
87.00758	0.4
89.02321	2.9
91.03854	0.2
95.01272	0.3
97.02834	0.2
99.00754	0.2
101.02325	4.2
111.04423	0.1
113.02328	1.9
115.03897	0.2
119.03419	1.0
125.02341	0.2
131.03278	0.2
133.04988	0.5
133.23518	0.1
143.03386	0.3
157.04959	0.2
161.04446	1.3
179.05540	0.5
221.29483	0.1
235.08176	1.6
237.22260	0.2
253.09264	13.0
254.09491	0.7
255.23262	100.0
256.23602	9.7
303.21271	0.1
433.11349	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	492.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50402	0.8
86.83681	0.7
107.42742	0.8
113.85922	0.7
130.08629	100.0
131.08986	3.7
263.93698	0.8
335.71527	0.9
493.82037	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96355	0.9
53.49189	0.7
57.03336	2.1
59.01252	5.8
59.79842	0.8
61.57203	0.7
61.98716	1.1
70.21994	0.9
71.01279	1.6
71.04896	1.0
71.52261	1.2
78.95779	41.8
79.30466	0.7
83.04895	0.8
97.06395	0.8
110.98422	3.5
113.09633	3.8
118.96527	0.8
122.00047	1.2
125.09650	0.8
137.09631	3.1
140.01082	9.8
152.99527	4.8
167.01054	2.8
171.10120	1.8
179.14331	1.6
195.13849	22.3
195.15585	1.5
196.03745	15.0
196.14140	1.3
197.03998	0.9
209.11757	1.6
212.82391	0.9
214.04784	4.0
225.14857	1.5
275.20309	0.9
277.21716	16.5
278.22150	2.5
293.21158	4.0
294.21487	0.8
295.22787	100.0
296.23157	10.0
304.19058	0.8
307.22916	1.6
311.22244	2.4
325.23853	14.1
492.27405	59.5
492.34824	6.3
493.26904	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	492.273
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31283	0.3
59.01238	2.8
59.70773	0.4
61.98662	0.8
64.50477	0.3
71.01230	0.4
71.04877	0.5
71.73004	0.4
78.95777	18.0
80.30661	0.4
83.04884	0.5
89.02309	0.5
97.06498	0.5
97.17560	0.4
102.22893	0.4
109.06498	0.4
110.98386	1.1
111.08150	0.4
111.09146	0.3
113.09576	2.3
121.02803	0.7
137.09584	1.1
140.01096	3.0
140.09235	0.4
152.99506	2.5
167.01021	0.7
171.00539	1.6
171.10165	0.9
177.12708	0.9
179.14281	0.9
181.12198	0.5
185.02116	0.6
195.13840	14.9
196.03746	2.0
196.14186	1.6
197.11653	0.6
209.11717	1.8
214.04808	4.1
225.14893	0.6
277.21722	13.4
278.22055	1.3
293.21161	0.9
295.22775	100.0
296.23111	12.5
307.22678	1.2
311.22272	1.1
313.06860	0.5
324.22723	0.5
325.23773	6.5
402.20428	0.4
409.52197	0.4
436.51599	0.4
492.27350	28.9
492.33820	1.5
493.27234	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	493.0624
Annotation	Gossypetin 8-glucuronide
Peak:m/z	Relative Intensity
51.65586	0.9
52.89187	0.7
57.03318	2.4
57.94178	0.8
58.00460	0.8
59.01251	18.5
60.01582	1.1
61.01671	0.9
61.40682	1.0
61.98694	1.3
63.02266	2.1
63.40388	0.8
65.00191	4.4
67.01735	1.4
68.99709	0.9
69.03339	1.1
69.32297	7.6
71.01257	7.6
72.99193	2.4
73.02835	2.0
75.00771	1.3
83.01249	6.5
85.02829	7.9
87.00777	1.8
89.02335	4.6
93.03329	1.8
95.01263	6.3
96.99220	1.1
98.02328	0.8
98.20501	2.0
99.00762	3.0
101.02324	2.4
107.01259	8.9
108.02109	1.0
108.99168	1.0
109.02840	17.2
111.00765	14.0
113.02335	11.7
117.03378	1.6
119.03403	1.6
119.04900	1.2
121.02839	3.0
123.00777	3.0
124.01583	1.0
125.02335	17.5
126.11232	0.8
131.04971	1.2
133.02843	8.1
133.33612	0.9
135.00768	4.8
135.04375	1.3
136.98730	1.1
137.02359	5.5
139.00266	27.8
140.00826	1.6
141.01814	1.1
144.20311	0.8
145.02843	1.1
145.45288	0.9
147.00758	1.4
147.04462	1.3
149.02332	3.9
151.00282	26.2
151.03906	1.8
152.01042	4.4
153.01842	14.8
155.53000	0.8
159.04385	1.8
161.02379	3.4
161.04463	1.4
163.00288	32.5
163.03943	2.4
164.00888	3.0
165.01857	6.9
165.05524	1.0
169.01323	1.1
171.04420	1.7
173.06015	1.2
175.02411	2.2
175.03906	3.2
177.01839	7.6
178.99777	21.5
181.01364	28.5
182.02048	2.7
183.04361	1.4
185.02388	1.0
187.03928	2.4
189.01837	1.4
190.99786	11.3
191.03389	2.0
192.00340	1.6
193.01463	4.4
199.03992	5.2
201.01793	3.0
201.05524	2.3
203.03439	4.1
205.01291	1.5
205.05043	2.5
206.99330	9.8
208.00084	6.0
209.00858	2.6
211.03943	1.7
213.01917	1.4
217.01358	1.3
217.05028	4.6
219.02982	3.2
227.03438	7.7
229.05089	3.6
230.02170	3.2
231.02934	6.8
242.02199	1.4
243.02898	9.4
244.03348	1.2
245.04529	12.4
246.04822	1.5
247.02444	1.2
255.03009	7.8
271.02505	15.8
272.03122	1.8
273.04117	14.1
274.04446	1.4
289.03571	7.0
299.01971	26.5
300.02438	4.2
316.02335	1.1
317.03015	100.0
318.03384	11.5
350.95889	0.9
357.04593	2.6
358.05310	1.8
359.03851	0.9
403.10681	0.9
433.24295	2.0
475.05194	2.3
493.06226	13.1
493.18466	1.1
493.23404	1.0
494.06689	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91305	0.8
55.01744	1.5
57.03327	1.4
59.01252	23.4
61.98699	1.8
62.92626	0.7
68.08654	0.8
69.03374	0.8
69.33775	3.9
69.34174	1.8
71.01252	24.2
72.99169	1.8
73.02818	12.6
76.77246	0.8
83.01222	1.3
85.02819	10.2
87.00737	2.6
89.02314	16.8
93.03315	2.4
95.01258	2.0
97.02882	1.0
98.19757	1.4
99.00755	45.9
101.02324	11.4
113.02326	15.9
117.03424	1.0
119.03396	2.6
119.04864	0.9
119.08584	2.0
123.54932	0.8
131.03360	4.5
137.02260	1.4
137.09592	3.5
143.03357	1.5
145.02829	2.7
149.04498	5.6
161.02325	1.0
161.04485	5.1
163.03912	1.2
179.05478	0.8
181.08609	4.1
183.10167	1.2
191.05542	7.9
201.11252	1.0
221.06731	0.9
251.44804	0.8
342.61212	0.9
353.10931	0.9
449.20276	2.2
475.18375	1.7
493.19217	100.0
494.19485	14.1
504.61667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2291
Annotation	Ustiloxin D
Peak:m/z	Relative Intensity
55.01763	0.9
57.03316	1.3
58.00465	3.1
59.01252	40.5
61.98693	2.1
71.01256	18.2
72.99182	2.5
73.02821	10.1
75.00747	37.0
78.29296	0.7
80.55906	0.7
81.03339	0.8
83.01260	2.3
83.02384	0.6
85.02827	5.9
87.00729	1.0
89.02320	4.5
95.01265	1.0
99.00767	3.3
101.02314	6.2
107.04935	1.1
112.88400	0.8
113.02335	4.6
117.01856	1.2
117.03373	3.5
119.03397	1.5
119.04915	2.0
125.02361	1.6
125.06013	1.4
130.12431	0.6
135.02956	1.3
137.02335	0.9
139.07568	1.2
145.02867	15.1
146.03227	0.9
161.04419	1.5
163.03888	2.3
167.14307	2.3
177.12692	0.8
179.14391	1.5
183.13824	5.5
185.02097	0.7
191.14383	2.9
195.13789	8.8
197.11784	2.7
197.15395	4.2
200.01805	0.7
203.68921	0.7
207.13820	1.5
209.15419	6.6
213.14909	32.0
214.15254	2.2
227.11089	0.8
227.16492	15.1
228.16916	1.8
230.54346	0.7
237.14929	8.9
238.15347	0.8
255.16016	13.2
256.16330	1.6
267.16064	1.1
289.73575	0.7
297.08231	1.1
329.16055	2.7
433.28159	4.0
451.22638	0.9
451.29294	2.7
461.20413	1.6
493.22897	100.0
494.23273	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	493.229
Annotation	Rhodioloside B
Peak:m/z	Relative Intensity
55.01749	1.7
55.18427	0.5
57.03322	2.0
57.24383	0.5
58.00471	4.4
59.01250	100.0
60.01574	1.0
61.14269	0.5
61.98705	1.3
67.68168	0.5
68.31004	0.5
69.16042	6.1
71.01254	66.3
72.99182	6.6
73.02805	3.5
75.00789	0.7
83.01254	4.1
83.05021	0.5
83.89795	0.5
85.02825	12.4
87.00752	2.8
89.02317	71.2
90.02668	1.5
95.01259	4.2
99.00758	3.3
101.02325	43.3
102.02659	1.0
111.00759	0.7
113.02332	26.9
119.03391	37.0
125.02369	0.9
131.03389	3.8
143.03401	5.1
149.04466	2.7
160.65485	0.6
161.04472	6.1
179.05530	12.0
179.06981	1.0
180.05952	0.7
233.61499	0.7
313.16595	1.3
331.12988	2.4
331.17419	1.2
332.13342	0.7
368.72650	0.6
493.22995	49.5
494.23239	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	493.2291
Annotation	Rhodioloside C
Peak:m/z	Relative Intensity
52.33448	1.1
55.01768	5.7
57.03314	3.2
58.00469	3.3
59.01249	100.0
61.98707	13.5
69.03333	1.1
69.38770	2.2
69.39156	7.1
71.01250	97.6
72.01585	1.9
72.99181	9.9
73.02815	24.3
75.00751	10.6
77.88438	1.1
78.95803	1.2
83.01251	16.0
85.02819	38.2
85.59238	1.3
85.94904	1.0
87.00753	8.7
87.04378	1.3
89.02317	58.3
93.03349	5.0
95.01272	11.5
96.21615	1.2
97.02837	2.7
98.20611	2.6
99.00753	11.3
101.02322	72.4
102.02675	2.0
109.02808	1.1
111.00754	2.3
113.02329	49.3
117.03333	2.3
119.03379	26.3
119.04881	3.9
121.02860	1.5
123.04368	2.3
125.02348	3.7
128.41580	1.0
129.01819	2.9
131.03400	8.4
135.04353	1.7
136.01523	2.6
137.02356	6.6
137.05971	2.3
139.00262	1.6
140.99559	1.2
143.03407	11.6
145.02826	8.0
149.04486	2.8
149.05910	1.3
151.00298	1.6
151.03909	3.3
159.02890	5.4
161.02325	2.7
161.03210	2.1
161.04457	32.8
161.05858	2.4
162.04819	1.1
163.03925	2.4
179.03380	2.4
179.05522	34.0
183.10188	2.5
197.11661	2.0
207.08125	1.3
221.06619	29.0
225.08989	1.8
229.04948	1.6
232.87468	1.1
241.08670	2.0
263.07709	7.7
265.07104	3.7
269.08276	2.0
271.19067	1.5
273.03946	1.2
287.09250	4.3
313.16388	2.3
331.08167	2.0
331.17596	25.9
332.17828	2.2
336.46725	1.3
365.17941	2.1
386.45901	1.3
433.11526	2.0
433.19290	1.9
433.24481	25.3
434.24808	4.1
493.12958	3.2
493.23550	34.6
494.23730	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	493.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78154	0.8
58.16544	0.9
59.01257	1.0
65.45647	0.8
66.63538	0.8
71.01264	1.0
71.07629	0.8
71.51865	1.1
73.78951	0.8
78.95775	16.4
96.96838	1.2
104.42209	0.8
120.96851	3.0
126.53835	1.0
138.97926	3.5
152.99495	16.5
195.00505	4.1
213.01704	7.8
230.27538	0.9
245.04424	2.0
279.23297	100.0
280.23627	12.0
379.72653	0.9
475.24686	28.8
476.25095	4.4
493.25980	7.1
494.26221	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66696	0.9
52.79350	0.9
56.07139	0.9
57.03334	0.8
58.00465	2.2
59.01254	50.1
61.98697	3.3
69.03320	1.5
69.43847	1.4
69.44255	4.7
71.01254	18.0
72.99175	3.6
73.02812	10.6
73.15232	0.8
75.00746	44.0
83.01253	2.7
85.02848	5.5
87.00732	1.7
89.02314	4.2
93.90047	0.9
96.62851	0.8
97.02823	1.0
97.06438	1.2
99.00769	3.7
101.02332	7.8
111.00779	1.2
113.02330	4.4
117.01920	1.1
119.03423	1.0
119.04909	0.8
125.02341	1.0
125.05961	2.2
135.02859	0.9
145.02867	2.1
159.04643	0.8
161.04451	1.7
167.14337	1.7
179.14368	1.9
183.13783	5.6
187.03902	0.9
191.14368	3.4
192.88358	0.9
195.13834	7.7
197.11813	2.5
197.15376	3.2
199.93797	0.9
207.13850	1.3
209.15379	8.0
213.14900	31.9
214.15324	3.3
227.16486	17.0
228.16809	1.5
236.76205	0.8
237.14944	10.2
238.15288	1.1
242.57309	0.8
255.15981	14.8
265.13342	1.3
267.16113	1.2
297.08292	1.4
325.20129	1.2
369.84625	0.9
389.25400	2.8
407.26740	2.6
423.97128	1.1
433.28210	5.6
493.22925	100.0
494.23322	14.9
494.29874	1.8
513.89185	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.267
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49910	0.8
57.02717	0.8
57.03314	1.4
58.00466	2.8
59.01250	100.0
61.98703	12.3
64.78018	0.8
69.90588	3.9
71.01252	48.6
72.01609	1.2
72.99191	4.2
73.02830	5.1
74.02361	1.0
75.00751	1.5
78.95819	1.0
81.12373	0.9
83.01258	3.8
85.02817	10.1
87.00763	3.6
89.02318	60.9
90.02657	1.5
93.03332	1.6
95.01275	4.3
98.20602	1.2
99.00740	3.5
101.02328	30.1
101.03001	1.6
107.04922	1.4
108.02030	1.1
111.00793	1.0
113.02330	21.9
115.07573	1.1
117.03353	3.0
119.03387	27.6
119.04808	5.3
120.05257	1.6
121.02833	1.3
121.06479	1.9
123.04395	1.4
125.02364	1.4
126.15548	0.9
127.00318	1.2
131.03415	4.2
137.02333	6.2
143.03374	6.9
145.02843	11.1
146.03217	1.6
149.04445	2.9
152.01091	1.0
154.43970	0.9
155.10716	1.6
159.02899	0.9
161.02434	1.6
161.04468	9.0
161.05865	2.2
163.03914	5.7
164.04239	1.7
165.04274	1.2
165.05530	2.2
174.25859	1.0
175.03873	1.0
179.05524	28.0
181.08585	1.2
183.10219	0.8
197.04466	0.9
205.04968	2.4
206.05367	1.6
224.59950	0.9
235.06067	2.1
236.06418	1.4
237.06638	2.0
241.10843	0.9
245.59656	0.9
265.07278	3.5
266.07529	2.9
267.07690	3.4
276.23874	1.1
291.14246	1.0
322.23972	1.0
341.08646	2.1
361.18771	1.3
433.24435	11.1
434.24835	2.3
449.14600	1.4
493.17722	3.8
493.23367	3.4
493.30173	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34021	0.9
55.01756	2.2
57.03305	3.5
58.00449	3.3
59.01251	100.0
60.01605	1.1
61.98707	12.7
65.00207	1.5
69.03302	1.2
71.01254	60.1
72.01555	1.4
72.99174	6.9
73.02816	13.0
75.00741	6.5
83.01273	5.7
85.02825	17.6
86.75175	1.0
87.00740	5.7
87.04366	1.4
89.02319	67.7
92.13902	1.1
93.03316	3.4
95.01276	6.4
99.00759	26.7
99.04360	1.6
101.02327	40.6
101.03002	2.1
105.01822	1.9
108.02075	1.1
109.02826	2.9
111.00726	3.3
113.02334	31.6
117.03345	2.5
118.03619	1.2
119.03395	27.7
119.04890	3.8
119.08556	1.7
120.03705	1.3
121.06532	1.6
123.00779	1.3
123.04386	1.8
125.02309	3.8
129.01820	1.7
131.03389	6.4
131.34111	1.0
133.02809	1.9
135.04434	1.2
137.02338	4.9
137.09628	4.9
139.00214	3.1
143.03409	8.3
145.02849	10.0
146.03209	2.0
149.04483	7.1
151.00281	6.6
152.00990	1.5
153.01843	1.3
159.02977	2.0
159.04395	1.1
161.02391	2.3
161.04463	15.2
163.00262	2.9
163.03897	3.0
164.98267	1.2
165.01866	1.3
166.99730	2.0
167.03441	1.4
175.03947	1.9
177.01776	1.9
178.99780	7.4
179.05544	26.2
181.08594	1.8
190.99698	1.3
191.03827	1.3
191.05508	4.5
194.99252	2.4
199.09630	1.4
203.03299	1.9
215.03279	1.5
217.01346	1.3
218.02013	1.1
227.03558	1.0
231.02885	2.8
241.01241	1.2
243.02940	2.4
245.01073	1.6
245.04398	1.4
258.01529	1.7
259.02417	2.5
265.07025	1.3
271.02423	3.6
273.04022	1.4
287.02036	6.0
299.01898	3.4
301.03476	1.9
302.00632	1.6
303.01587	2.6
312.99786	2.9
314.00406	1.8
315.01584	8.5
317.02997	5.1
330.03809	5.7
331.00833	5.7
331.04395	2.4
331.17258	1.8
428.53397	1.1
433.24762	6.7
451.32611	1.4
465.06485	1.3
493.06219	4.5
493.19113	60.9
493.30722	2.4
494.07162	2.9
494.19342	8.4
494.30371	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89738	0.7
61.98702	100.0
62.98396	0.8
64.16992	0.7
68.66856	0.7
70.26315	1.3
70.26651	1.3
75.03237	0.7
78.95802	0.8
117.03355	1.0
119.04931	1.5
119.11948	0.7
145.02875	5.3
152.99503	2.0
267.19736	2.0
431.24283	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	495.0778
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
57.03323	7.8
58.00467	3.7
59.01249	71.8
60.01588	3.2
61.98698	43.5
65.00197	7.9
71.01250	95.0
71.52084	4.5
72.01591	3.3
72.99180	9.4
73.02813	27.1
75.00748	4.8
78.95769	2.5
81.03350	2.7
83.01263	18.0
85.02821	39.8
87.00742	5.1
89.02312	38.3
93.03336	3.7
95.01263	16.7
96.99231	2.5
97.02858	3.9
99.00755	33.7
100.01038	2.6
101.02318	68.2
103.03989	2.9
106.00438	2.7
107.01286	8.3
108.02068	4.7
109.02840	14.2
109.99945	3.2
111.00782	12.6
113.02337	35.8
119.03377	11.2
119.04909	8.4
123.00764	9.7
123.04418	3.1
124.01615	3.2
125.02329	4.7
129.01802	5.1
131.03369	4.4
133.02878	3.6
135.04372	3.4
137.02347	9.8
139.00275	11.8
141.01825	3.6
143.03397	7.7
143.04964	5.8
145.02815	13.9
147.00766	3.1
148.01619	5.0
149.02324	4.6
149.04478	10.1
149.99481	3.1
151.00262	29.2
151.03981	2.7
152.01027	11.8
153.01854	11.2
154.99821	4.4
159.02957	6.2
159.04349	4.9
161.02350	7.6
161.04468	28.4
163.00284	4.7
163.03876	9.3
165.99028	3.0
166.99760	3.1
168.00499	5.7
169.01439	4.5
169.02933	3.1
171.04417	4.0
174.03175	2.9
175.03943	11.6
177.01762	4.2
177.98982	6.8
178.99771	34.1
179.03340	3.2
179.05537	8.2
181.01294	3.2
183.03011	3.4
185.02345	3.1
187.03940	13.2
189.01865	10.5
191.03436	5.2
191.05449	5.5
192.00562	3.4
193.01350	7.1
194.99281	6.1
199.03983	5.1
201.01843	4.0
203.03435	13.8
206.99306	3.9
207.02939	5.1
209.00795	7.1
215.03491	6.0
217.01286	5.8
219.02969	5.0
227.03339	3.5
229.14224	2.7
230.02190	4.7
231.02957	10.4
232.03703	14.8
233.04611	13.6
233.06567	4.4
241.01248	5.9
243.02904	14.6
245.00925	4.7
245.04555	4.2
247.02438	5.1
258.01688	4.6
259.02426	11.2
261.03949	4.9
269.00641	2.9
271.02493	33.9
273.04303	2.6
286.01038	4.4
287.01962	47.3
288.02591	10.4
289.03516	10.5
297.00446	3.3
299.01950	27.2
300.02454	4.4
301.89951	2.6
303.01389	6.6
314.00705	4.9
315.01462	100.0
315.07047	4.1
316.01755	11.1
332.01746	21.0
333.02353	11.0
333.19186	52.2
349.11374	4.5
357.14359	2.5
359.06262	3.4
363.16815	4.5
395.09711	10.0
451.08755	4.0
451.33078	3.4
462.08072	4.8
477.06696	7.9
477.18509	3.8
494.19547	2.8
495.07886	82.5
495.24921	89.8
496.08160	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	495.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21986	0.5
57.33254	0.5
59.01252	9.7
61.98703	3.2
64.30045	0.5
71.01247	2.0
73.11977	0.5
78.73804	0.6
78.95773	13.6
83.87666	0.5
85.02845	1.6
93.03342	1.1
96.95925	0.7
96.96820	0.7
101.02319	1.5
101.70226	0.4
103.29982	0.5
106.04129	2.5
107.04913	31.2
108.02072	1.3
108.05262	0.9
110.98436	0.9
113.02368	0.6
113.42047	0.5
121.02841	0.8
123.04376	4.0
134.03635	5.8
135.04417	100.0
136.04776	5.7
137.02327	0.7
138.05476	0.7
140.07104	0.7
141.11703	0.5
145.02821	0.9
151.00298	1.5
152.99495	13.7
155.08142	0.6
161.02361	7.1
165.05479	28.3
165.27435	0.5
166.05844	1.3
167.01164	0.9
171.10181	3.9
178.12856	0.5
183.07660	1.2
185.02295	2.1
199.03900	1.0
203.03442	2.2
209.11783	1.2
211.13289	0.9
223.13269	0.6
226.02657	1.4
227.03435	9.3
227.06685	2.7
227.12959	0.6
228.03807	1.2
229.01247	1.0
229.14426	0.9
243.02963	1.3
265.04678	0.6
270.01767	2.5
271.02490	17.3
272.02979	1.6
283.06042	0.7
285.04077	6.3
297.03885	0.7
298.04773	0.7
299.01968	50.4
300.02383	5.8
313.03564	8.3
314.04312	42.6
314.09702	0.7
315.04648	4.9
327.21783	5.5
328.05893	1.1
329.06662	100.0
330.07025	10.4
447.10889	6.9
448.11185	1.4
495.12854	1.4
495.23837	11.4
496.24039	1.0
500.74887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.6
59.89565	0.5
61.98699	3.0
62.79124	0.4
69.01536	0.4
71.01244	1.1
78.80142	0.5
78.95789	2.9
81.43842	0.4
92.10460	0.5
93.03336	2.0
95.04945	0.4
97.01008	0.5
98.20073	2.9
101.02339	0.6
106.04100	2.2
107.04908	30.3
108.05240	1.5
110.98418	0.8
113.02292	0.5
117.03370	0.5
121.02784	0.6
123.04407	1.6
134.03629	7.4
135.04413	100.0
136.04741	4.3
137.02362	3.3
138.96106	0.4
151.00298	0.8
152.99487	2.0
161.02361	8.0
162.02765	0.6
165.05482	29.7
166.05855	1.3
167.01041	0.9
171.10173	2.7
177.25092	0.5
183.04488	0.5
185.02371	2.3
199.03903	1.3
202.02634	0.6
203.03464	3.1
203.88229	0.5
211.13297	0.8
215.03452	0.8
226.02644	1.8
227.03438	8.7
228.03728	1.1
229.01401	1.1
229.14442	1.0
242.02028	0.9
243.02979	1.8
255.02988	0.6
270.01669	3.2
271.02487	17.9
272.02783	1.2
284.03098	0.5
285.04034	8.3
286.04312	0.7
299.01959	54.6
300.02313	4.6
309.04364	0.5
313.03491	9.7
313.06839	0.6
314.04309	46.0
315.04642	4.5
317.43985	0.5
327.05121	0.6
327.21674	3.7
328.05893	1.8
329.06659	99.0
330.06992	9.2
447.10791	0.9
494.31094	0.6
495.13049	0.8
495.23706	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	495.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80806	0.2
59.01250	2.1
61.98701	3.3
67.75677	0.2
70.91541	0.6
71.01260	1.7
72.43741	0.2
72.99171	0.3
73.02814	0.5
78.12185	0.2
78.71925	0.2
78.95778	0.3
80.02532	0.4
81.03342	0.3
85.02359	0.2
85.02815	1.3
87.00767	0.4
89.02311	0.7
93.03345	0.4
93.54097	0.2
95.01293	0.5
97.02802	0.2
99.00771	0.3
101.02345	1.1
104.93952	0.2
108.02057	28.4
109.02934	2.1
111.00774	0.3
113.02320	0.7
117.03350	4.6
119.04929	1.6
120.55131	0.2
121.02789	0.2
123.00816	0.4
123.04417	11.3
124.04729	0.5
133.02872	0.3
135.04402	0.5
135.08043	0.2
137.02330	0.8
145.02856	14.2
146.03214	0.4
146.45641	0.2
152.01059	49.2
153.01653	2.4
161.02341	0.7
161.04485	0.3
161.05983	0.5
163.03925	2.6
165.05486	0.3
167.03413	100.0
168.03751	4.7
176.25032	0.2
177.01855	0.3
179.03514	0.4
199.40286	0.2
205.05034	0.6
235.06149	0.4
265.07050	0.5
315.07220	1.0
339.42416	0.2
363.20425	0.2
405.29584	0.2
405.35089	0.2
451.16092	1.5
452.16406	0.4
495.15137	3.9
495.22528	7.8
495.31216	0.7
496.15579	0.8
496.22781	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80036	0.5
54.24364	0.4
57.03318	1.5
58.00454	1.2
59.01252	21.0
61.98705	11.2
62.74833	0.5
69.03328	0.5
71.01254	19.7
71.04901	0.6
71.06588	1.2
71.98521	0.4
72.99187	1.8
73.02822	6.9
75.70876	0.4
83.01249	3.1
85.02824	14.0
85.06464	1.1
87.00744	2.3
89.02317	9.6
95.01292	1.1
97.02843	0.7
99.00764	9.3
101.02319	13.9
102.02688	0.6
109.02847	0.6
113.02340	6.7
115.07561	0.6
119.03411	2.4
125.02320	1.1
127.11194	0.6
131.03406	1.1
135.04442	0.7
137.02359	0.6
139.11197	1.1
149.04514	0.5
157.12254	0.8
161.04564	0.5
165.09082	0.5
170.57750	0.6
175.02437	0.6
183.10178	4.1
201.11269	6.5
202.11566	0.6
345.15500	4.6
363.16595	20.5
364.16898	2.1
477.19940	1.0
495.20837	100.0
496.21207	14.2
500.89655	0.5
517.28204	0.6
523.46948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2085
Annotation	NS-304
Peak:m/z	Relative Intensity
53.60529	0.4
53.78696	0.5
57.03316	1.3
58.00457	1.1
58.98040	0.5
59.01254	17.2
61.98704	6.1
68.13280	0.4
69.03310	0.6
69.34661	0.4
71.01253	16.5
71.04874	0.7
72.99178	1.6
73.02818	5.2
75.00707	0.6
83.01249	3.6
85.02827	10.9
85.06456	1.5
87.00740	1.5
89.02328	7.9
89.49955	0.4
95.01257	1.3
97.02819	0.5
99.00765	7.0
101.02319	10.3
111.08043	0.5
112.01580	0.4
113.02340	6.2
119.03368	1.3
121.28611	0.4
131.03430	1.0
139.11186	0.9
149.04504	0.4
157.12262	0.7
159.02875	0.6
161.04451	0.8
165.09073	0.7
174.65486	0.5
183.10161	3.2
201.11255	5.5
247.63390	0.4
345.15533	3.3
345.19238	0.6
355.78372	0.4
363.16541	15.5
364.16913	1.5
379.12610	0.5
477.19733	1.4
495.20847	100.0
496.21149	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	495.2085
Annotation	Selexipag
Peak:m/z	Relative Intensity
57.03319	2.1
58.00448	0.8
59.01255	19.2
61.98696	2.8
69.29035	1.7
69.29453	5.6
70.94208	0.8
71.01254	21.7
72.99168	2.2
73.02821	11.4
75.00746	2.2
82.03279	0.7
83.01251	4.4
85.02829	10.7
87.00755	3.0
89.02320	7.9
95.01274	1.8
96.26949	0.8
97.02829	1.9
99.00761	14.2
101.02329	18.8
108.02074	1.1
109.02820	1.0
111.00733	1.7
113.02336	9.0
113.86983	0.8
119.03324	0.8
120.29546	0.7
123.04430	3.4
125.02287	1.2
128.30824	0.8
129.01799	4.4
131.03380	1.4
141.01820	2.1
145.02835	0.9
149.04523	0.8
151.00200	0.9
152.01050	1.4
157.12233	0.9
159.02945	4.8
161.04442	3.6
183.10208	1.6
201.11267	2.2
201.87399	0.9
203.12793	1.4
231.05144	2.3
245.83492	0.8
285.04037	2.1
319.04471	1.1
319.17642	3.1
345.15588	1.1
363.16650	9.1
365.17770	1.0
423.18222	1.0
451.21820	1.8
460.05695	0.8
495.20822	100.0
496.21204	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	495.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74671	0.2
59.01253	1.8
59.97995	0.3
60.16396	0.2
61.98703	3.0
63.62421	0.3
65.03807	0.5
69.53677	0.9
69.54080	0.8
71.01245	0.8
71.19541	0.2
78.95783	2.6
85.02834	0.8
93.03334	60.4
94.03676	1.9
98.19698	0.3
110.98416	1.8
113.02335	0.3
125.09666	0.3
127.11229	0.3
131.13303	0.3
134.21931	0.3
135.04448	0.3
137.02344	100.0
138.02690	3.5
150.39490	0.3
152.79497	0.3
152.99492	0.7
167.01059	1.0
171.10175	3.4
183.13878	0.6
185.02177	0.8
195.13834	0.5
209.11829	0.4
211.13396	1.1
213.14877	3.0
221.11816	0.4
229.14294	0.6
267.19583	0.3
291.19971	0.3
327.21768	6.1
328.21976	0.4
495.23535	7.1
496.24100	1.1
511.43234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44176	0.1
59.01255	0.3
60.87973	0.1
61.98704	0.4
63.20510	0.1
74.44666	0.1
78.95772	0.5
81.03349	0.4
82.19517	0.1
85.02798	0.2
93.03349	0.3
93.65163	0.1
108.02050	0.7
109.02849	0.7
110.98413	0.3
119.01296	0.1
121.06519	0.1
124.93186	0.1
136.01573	2.2
137.02354	100.0
138.02687	4.3
140.10371	0.1
151.00233	0.1
165.05513	0.3
167.01048	0.2
171.10225	0.6
183.13846	0.3
195.13855	0.3
197.11845	0.1
211.13361	0.2
213.14931	1.0
229.14418	0.2
250.86674	0.1
299.07663	0.2
327.21808	1.5
328.21881	0.1
495.22510	11.9
496.22772	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	495.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.8
61.98693	0.5
65.03827	0.4
66.35800	0.2
68.89854	0.2
71.01254	0.3
73.72124	0.2
73.79605	0.2
78.95785	1.1
85.49079	0.2
88.65862	0.2
93.03336	70.4
94.03655	1.9
101.17026	0.2
107.04936	1.1
110.98446	0.3
121.02815	0.4
123.04443	0.3
134.03674	0.3
135.04414	2.7
137.02344	100.0
138.02672	4.0
151.11284	0.2
152.99498	0.7
165.05476	0.9
171.10188	0.7
179.03363	0.4
183.13799	0.4
195.10143	0.2
213.14879	0.3
227.03580	0.3
229.27263	0.2
239.05647	0.6
271.02588	0.4
285.03760	0.4
299.01996	1.3
299.07666	0.3
313.03659	0.2
314.04276	1.2
327.21817	0.7
329.06683	2.4
330.07037	0.5
447.10849	0.3
472.19263	0.2
495.23569	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2366
Annotation	Fuscaxanthone H
Peak:m/z	Relative Intensity
50.05894	0.5
57.03315	2.4
58.90736	0.6
59.01239	2.3
59.88683	0.6
61.33858	0.5
61.89162	0.6
61.98702	52.5
66.89178	0.6
69.03326	2.4
69.62895	1.2
69.63309	2.0
71.01256	1.6
71.62147	0.5
73.02796	0.7
75.00763	0.6
78.95777	34.2
83.04906	1.3
85.02827	9.8
95.04903	0.7
97.02822	2.0
97.06468	4.9
98.20492	1.1
104.97337	0.9
110.98416	24.7
125.09623	1.3
127.11167	2.5
136.99973	1.0
137.09628	2.2
145.02924	1.0
152.99506	1.4
155.10689	0.7
155.14342	1.0
161.02295	0.7
165.12691	1.0
167.01053	16.5
167.03270	0.7
167.14395	1.2
171.10178	30.5
172.10497	1.6
177.12752	1.4
183.13875	3.9
185.02084	5.1
185.11722	1.5
193.12257	1.6
197.11728	0.9
201.11317	1.0
203.10696	1.0
209.11818	2.4
211.13338	23.1
212.13676	1.8
221.11794	3.5
227.12753	0.7
229.14406	15.2
230.14751	1.1
239.12845	2.2
291.19604	3.2
309.20712	1.0
313.08978	0.6
327.21759	60.2
328.22092	6.9
495.23645	100.0
496.24060	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	495.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01368	0.4
56.91167	0.3
57.03324	2.7
58.00460	1.2
59.01250	27.2
60.01570	0.6
61.98698	3.4
68.99697	0.4
69.03336	0.6
69.30601	1.3
69.31029	0.8
71.01250	32.4
72.01585	0.7
72.99180	2.1
73.02819	9.8
75.00743	0.8
81.03289	0.4
83.01255	6.4
85.02820	14.9
85.99953	0.7
86.03179	0.3
87.00747	1.9
89.02312	9.3
93.03307	0.4
95.01265	3.2
97.02812	0.9
98.20576	0.5
99.00743	4.3
101.02320	25.2
102.02634	0.4
107.01257	0.6
108.02052	7.8
109.02845	3.3
111.00764	3.6
113.02327	11.9
113.52468	0.3
114.02677	0.5
117.03316	0.3
119.03393	3.5
123.00773	0.8
125.02319	1.0
129.01845	1.0
131.03395	0.6
133.02893	0.3
137.02333	1.2
139.03894	0.4
141.01833	0.6
143.03398	1.3
145.02843	1.1
151.00420	0.3
152.01047	6.7
153.01833	3.1
153.05521	0.6
155.10655	0.4
159.02895	3.3
161.04463	7.4
163.03860	0.6
169.01353	0.4
171.13811	0.5
179.05524	0.8
182.02043	0.6
183.02969	1.4
197.04497	0.8
212.17503	0.3
315.07083	0.3
315.18115	0.9
319.04056	0.5
327.07153	1.3
333.19186	17.3
334.19473	1.5
341.08578	0.4
451.12839	0.5
463.09097	0.4
477.22351	0.3
495.11649	9.1
495.24466	100.0
496.11990	1.3
496.24796	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	495.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62627	0.3
55.25198	0.3
57.03326	2.8
58.00477	2.1
59.01254	49.9
60.01580	0.5
61.98706	2.3
68.99693	0.4
69.03325	0.6
69.46291	2.4
71.01255	44.9
72.01602	0.5
72.99197	3.4
73.02819	10.2
75.00729	0.8
76.02728	0.3
78.81506	0.4
83.01262	7.1
83.01727	0.6
85.02824	19.5
85.99979	0.3
87.00742	2.9
89.02319	26.5
95.01277	3.4
97.02827	0.8
99.00743	4.5
101.02327	38.6
102.02665	0.9
107.41266	0.4
108.02066	0.6
111.00775	4.0
113.02329	19.8
115.34735	0.4
117.64232	0.3
119.03398	13.0
120.03648	0.4
125.02316	0.9
129.01855	1.7
130.71507	0.4
131.03410	1.0
141.01862	0.7
143.03378	2.3
149.04451	0.8
152.01030	1.3
159.02892	3.3
161.04478	5.9
167.03455	0.8
171.13867	0.4
179.05583	2.6
190.95006	0.4
229.14406	1.0
243.25967	0.3
305.87402	0.3
315.18073	0.6
333.19180	11.4
334.19376	1.7
495.24481	100.0
496.24832	15.5
524.52850	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22146	0.6
71.44142	0.7
74.71187	0.5
78.95777	18.9
82.97174	0.6
86.26823	0.6
90.18829	0.5
96.96829	2.3
122.98638	0.6
135.28450	0.6
150.97981	0.6
151.07036	0.5
152.99489	32.1
153.99864	0.6
171.00563	1.4
193.56053	0.5
206.20796	0.7
227.03249	3.7
238.09021	0.6
245.04288	2.0
267.23279	100.0
268.23636	10.8
403.22943	0.6
409.38162	0.5
495.27277	47.6
496.27448	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	495.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80438	0.9
53.09349	0.9
59.01235	1.1
69.30450	9.3
78.95779	49.9
96.96838	4.0
98.19852	2.2
152.99493	61.0
171.00560	17.1
212.12987	1.0
212.92010	1.0
227.03230	4.5
245.04291	100.0
246.04622	3.3
264.93976	0.9
267.23279	57.0
268.23633	5.7
281.24890	4.6
290.05511	1.0
477.26123	1.3
495.27283	39.7
496.27686	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	497.1667
Annotation	Eucalmaidin B
Peak:m/z	Relative Intensity
59.01259	12.1
61.79299	0.8
61.98706	4.5
71.01257	5.3
71.52524	1.1
73.02817	1.7
78.95763	0.9
79.85120	0.8
81.03342	1.5
83.01244	1.2
85.02820	4.7
89.02324	2.0
93.03301	1.1
95.01270	3.2
98.24743	0.9
99.00775	1.7
101.02317	3.7
108.02055	45.6
109.02839	24.5
113.02301	2.6
119.03307	0.9
119.04911	1.1
121.02822	0.9
121.06508	1.0
123.00781	2.8
123.04403	1.9
125.02299	1.0
133.02866	1.4
135.04398	1.7
135.07977	1.1
137.02354	2.2
137.09621	10.1
137.22798	1.0
139.03947	1.6
145.02824	3.5
152.01064	61.7
153.01842	20.0
153.76628	0.9
155.10692	12.6
161.02379	2.1
163.03931	2.2
163.07504	1.7
167.03488	1.5
179.10635	1.4
181.08655	1.4
182.07542	0.9
195.10178	1.3
199.09715	2.1
298.89264	1.0
315.07248	2.6
453.17664	4.2
479.15497	2.3
497.16638	100.0
498.16946	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	497.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	10.0
68.14983	2.4
69.56920	16.3
71.01246	4.8
80.04926	9.4
89.02305	4.4
94.06503	10.5
96.00791	3.4
96.08058	3.5
97.01559	6.8
98.19801	4.9
106.02885	7.4
106.06512	5.8
108.04422	6.9
120.04446	16.6
121.05199	8.5
122.06004	34.3
123.06833	3.2
124.03926	3.9
124.07574	48.9
136.03966	15.2
138.05527	3.4
140.07080	3.8
148.03941	100.0
149.04306	4.4
150.05511	25.7
166.04973	14.8
168.06581	21.1
189.46193	2.7
194.04613	5.7
197.07178	4.6
202.81316	2.7
210.03914	5.0
212.09479	9.1
213.10168	4.4
215.08107	4.0
215.11833	10.9
216.12337	2.8
225.06613	10.3
226.10933	3.2
227.11842	29.9
228.08797	3.0
230.08430	3.7
230.10565	11.0
231.11322	29.5
232.11668	3.5
240.08989	23.9
241.09729	10.1
243.11305	19.1
244.12022	6.4
245.10448	3.1
255.11377	43.1
271.10809	3.7
272.11700	10.0
273.12442	75.4
274.09805	4.3
274.12793	7.3
275.10361	18.5
287.10077	3.5
291.13461	8.7
299.10260	11.7
316.10544	20.9
317.11401	84.5
318.11697	10.8
334.11700	11.0
335.12454	29.8
336.12839	2.9
437.15677	23.0
456.46307	2.9
479.16733	61.1
480.16968	9.6
497.17752	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	10.8
61.98699	2.7
68.82707	1.9
71.01254	4.7
71.38686	5.1
73.11141	2.4
76.46796	1.9
80.04914	5.5
85.71687	2.0
89.02306	6.8
94.06490	10.2
96.08058	3.5
97.01574	4.7
98.05989	2.3
101.02319	6.1
106.02859	2.5
106.06503	6.2
108.04424	2.3
109.05221	3.0
118.02869	2.5
119.03369	2.6
120.04441	15.2
121.05251	4.6
122.06020	37.7
124.03917	2.7
124.07564	38.9
136.03967	10.8
136.07526	2.4
140.07080	4.3
148.03949	100.0
148.07593	2.5
149.04359	4.0
150.05516	31.3
152.07082	5.6
166.05008	13.5
168.06566	16.4
194.04517	7.2
197.07047	5.5
198.07797	3.1
200.09483	7.3
210.04070	3.1
211.08778	2.5
212.09322	10.8
213.10181	6.2
215.11835	33.5
216.12160	2.4
220.19754	2.3
225.06664	26.6
225.10245	4.9
226.07320	5.8
226.10988	6.6
227.11859	43.9
228.12239	5.1
229.09694	3.3
229.13322	3.6
231.11420	9.9
240.09007	41.3
241.09673	5.1
243.11378	22.3
244.11725	4.6
245.12755	2.4
255.11369	69.5
256.11649	5.7
271.10648	3.0
272.11569	6.2
273.12430	88.0
274.12708	10.7
275.10330	3.0
287.10330	6.3
288.11038	4.0
291.13510	10.8
299.10431	20.0
300.10645	2.8
316.10669	16.1
317.11417	98.0
318.11862	10.7
320.34741	2.2
334.11676	3.2
335.12457	38.6
336.12897	4.1
342.16544	2.7
437.15610	6.4
479.16718	71.3
480.17035	9.1
481.16376	2.4
497.17795	24.6
498.18130	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	497.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17691	3.2
55.01749	3.4
59.01250	41.9
61.98703	16.2
71.01253	70.6
72.99178	7.4
73.02806	24.2
74.27896	3.1
83.01241	13.6
83.04925	3.5
85.02811	24.2
87.00746	5.8
87.15768	3.4
89.02335	17.5
93.03340	3.8
95.01237	4.3
99.00729	13.0
101.02324	53.6
111.00787	5.8
111.08012	6.9
113.02312	27.5
119.04945	3.6
125.02312	5.9
135.04408	8.2
143.03394	5.8
143.10628	4.8
161.02385	5.3
161.04471	15.6
173.08090	11.1
179.03348	8.4
203.12912	4.5
215.09216	3.8
220.62073	3.9
250.83028	3.7
305.16022	57.1
306.16412	8.6
317.11249	6.0
347.17105	18.2
365.18195	10.8
437.20288	34.6
479.21484	7.9
480.22238	5.2
497.22495	100.0
498.22400	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	497.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17691	3.2
55.01749	3.4
59.01250	41.9
61.98703	16.2
71.01253	70.6
72.99178	7.4
73.02806	24.2
74.27896	3.1
83.01241	13.6
83.04925	3.5
85.02811	24.2
87.00746	5.8
87.15768	3.4
89.02335	17.5
93.03340	3.8
95.01237	4.3
99.00729	13.0
101.02324	53.6
111.00787	5.8
111.08012	6.9
113.02312	27.5
119.04945	3.6
125.02312	5.9
135.04408	8.2
143.03394	5.8
143.10628	4.8
161.02385	5.3
161.04471	15.6
173.08090	11.1
179.03348	8.4
203.12912	4.5
215.09216	3.8
220.62073	3.9
250.83028	3.7
305.16022	57.1
306.16412	8.6
317.11249	6.0
347.17105	18.2
365.18195	10.8
437.20288	34.6
479.21484	7.9
480.22238	5.2
497.22495	100.0
498.22400	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	497.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.3
60.07871	0.1
61.98711	0.7
65.14313	0.1
67.01772	0.3
69.31670	0.9
71.01255	0.3
78.95776	2.4
88.78574	0.1
93.03333	6.8
94.03646	0.2
96.96843	0.2
121.02842	7.8
122.03197	0.3
124.85352	0.1
130.16861	0.1
135.04448	0.3
137.02357	0.5
139.03911	100.0
140.04247	4.1
145.02849	0.2
152.99503	3.3
157.77982	0.1
158.41840	0.1
161.02353	0.3
165.01817	0.7
171.10222	0.7
176.17886	0.1
179.03506	0.2
181.05003	0.1
211.13371	0.3
213.14952	0.5
229.14320	0.2
251.73872	0.1
283.08423	0.2
301.09473	0.2
329.23389	0.8
497.24625	3.0
498.24957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.3
60.07871	0.1
61.98711	0.7
65.14313	0.1
67.01772	0.3
69.31670	0.9
71.01255	0.3
78.95776	2.4
88.78574	0.1
93.03333	6.8
94.03646	0.2
96.96843	0.2
121.02842	7.8
122.03197	0.3
124.85352	0.1
130.16861	0.1
135.04448	0.3
137.02357	0.5
139.03911	100.0
140.04247	4.1
145.02849	0.2
152.99503	3.3
157.77982	0.1
158.41840	0.1
161.02353	0.3
165.01817	0.7
171.10222	0.7
176.17886	0.1
179.03506	0.2
181.05003	0.1
211.13371	0.3
213.14952	0.5
229.14320	0.2
251.73872	0.1
283.08423	0.2
301.09473	0.2
329.23389	0.8
497.24625	3.0
498.24957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78465	0.4
52.47092	0.4
57.03341	1.0
59.01250	6.2
61.98693	0.4
67.25010	0.5
69.03352	0.6
71.01274	1.1
71.04896	7.3
71.06608	0.5
71.06919	0.4
74.17390	0.4
78.95782	7.7
78.96206	0.5
83.04942	1.8
99.00769	0.9
106.29181	0.5
144.40382	0.4
152.99481	9.7
171.00615	1.3
195.17525	0.7
197.19044	15.9
198.19423	1.3
221.78281	0.5
223.20653	6.6
224.21097	0.6
225.22194	21.5
226.22610	2.0
227.03218	1.4
245.04294	2.2
251.20203	3.1
269.21222	100.0
270.21585	9.6
497.25092	25.5
498.25412	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	497.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95680	0.6
56.56719	0.5
57.03311	1.9
59.01227	2.4
61.98693	1.5
71.01220	0.8
78.95774	18.6
83.04871	1.1
99.08033	7.4
110.98414	14.7
125.09573	1.9
127.11186	7.8
139.10149	0.9
139.11183	14.4
152.99475	1.0
155.10632	2.2
157.12190	1.8
165.12717	0.7
167.01057	7.9
167.14322	1.9
171.10173	42.4
172.10561	2.6
183.13853	5.5
185.02129	8.2
193.12270	1.5
199.13338	1.0
201.11220	1.0
204.84836	0.6
209.11673	1.3
211.13335	31.8
212.13649	2.3
229.14403	19.4
230.14713	1.6
293.21320	1.5
311.22241	1.4
329.23315	100.0
330.23651	10.2
497.25229	85.2
498.25583	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2527
Annotation	12,13-Deoxyroridin E
Peak:m/z	Relative Intensity
57.03301	1.8
58.44267	0.5
59.01252	9.3
61.98677	2.2
69.03318	0.6
71.01231	2.0
71.04895	0.6
71.09540	1.1
72.99196	0.7
73.02805	0.7
77.25516	0.4
78.95777	31.6
83.01230	0.9
83.04922	0.7
85.02794	1.0
89.02242	0.7
90.77543	0.5
97.06423	1.0
99.04382	0.9
99.08033	7.8
101.02332	1.1
104.97336	1.0
110.98419	24.6
113.02281	0.7
113.09602	0.5
125.09595	1.8
127.11185	7.5
139.11186	11.8
140.11514	0.6
152.99486	1.3
155.10658	1.6
155.14308	1.3
157.12260	1.6
161.02351	0.9
165.12706	0.7
166.99675	0.9
167.01064	17.3
167.14313	1.3
171.10179	42.0
172.10542	2.8
183.13811	5.2
184.27597	0.5
185.02132	5.8
193.12231	1.9
199.13329	0.8
201.11221	1.0
209.11729	1.5
211.13335	29.3
212.13667	2.9
229.04326	0.5
229.14418	18.7
230.14685	1.8
293.21176	3.0
295.64218	0.6
311.22321	1.0
329.23322	71.5
330.23721	6.3
497.25262	100.0
498.25589	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	497.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	4.1
57.03320	2.5
58.00463	0.7
59.01252	16.3
61.98695	0.3
69.03321	0.9
69.91529	0.3
71.01253	26.2
71.38322	0.3
72.01585	0.4
72.35225	0.3
72.99168	1.7
73.02399	0.4
73.02818	13.0
75.00732	1.0
83.01257	7.9
85.02821	19.8
85.99961	0.7
86.03168	0.4
87.00748	2.9
89.02314	2.6
89.92078	0.3
95.01275	3.4
96.95818	0.3
97.02842	1.2
99.00758	5.6
101.02322	26.7
102.02660	0.6
111.00761	7.3
113.02331	11.8
114.02684	0.3
118.42191	0.3
119.03367	0.5
123.04428	0.3
124.01601	0.4
125.02396	1.4
129.01819	1.8
129.02655	0.3
137.02397	0.3
141.01851	1.0
143.03380	0.8
145.02853	0.5
150.53574	0.3
152.01163	0.3
159.02907	3.7
160.03934	1.1
161.02394	0.4
161.04451	5.9
175.03864	0.4
290.08310	0.5
291.08652	1.0
335.20731	12.2
336.21109	1.1
376.85312	0.4
497.26025	100.0
498.26379	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	497.2757
Annotation	Simplexin I
Peak:m/z	Relative Intensity
55.01765	0.9
57.03324	1.0
58.00473	0.8
59.01254	44.3
60.01584	0.3
61.14339	0.3
69.03325	0.8
69.28352	0.7
69.28757	1.6
71.01257	23.9
72.99191	1.4
73.02823	24.5
74.03153	0.5
78.95787	0.5
83.01257	6.7
83.04952	0.3
85.02829	4.0
87.00751	2.5
89.02321	5.6
95.01252	1.3
95.04900	0.5
97.02840	0.8
99.00784	1.3
101.02328	17.3
102.02663	0.4
102.08852	0.4
111.08018	0.8
113.02338	5.8
113.09601	0.5
119.03389	1.6
125.02372	0.7
131.03424	1.0
133.68007	0.3
143.03429	1.0
149.04430	0.4
161.04486	1.3
177.70757	0.3
179.14384	1.0
181.12270	0.4
182.14276	0.3
192.20670	0.3
195.13885	0.7
205.15895	0.8
223.13358	2.1
231.21172	0.7
249.22324	0.4
275.20175	8.3
276.20517	0.8
277.21878	1.6
293.21243	28.5
294.21585	3.4
379.83569	0.3
437.25418	6.7
438.25854	0.8
455.26498	15.9
456.26642	2.2
497.27582	100.0
498.27933	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	497.2758
Annotation	Simplexin I
Peak:m/z	Relative Intensity
55.01748	2.4
57.03329	4.8
58.00460	2.0
58.93427	0.8
59.01253	66.6
60.01574	1.0
61.98703	0.9
69.03325	2.6
69.32956	0.9
70.15357	0.8
71.01255	54.0
71.52377	1.0
72.99172	2.9
73.02444	1.3
73.02824	14.7
75.00726	0.9
78.95775	3.4
83.01259	8.1
83.04868	1.0
85.02826	28.8
87.00756	5.1
89.02319	14.2
90.48655	0.8
95.01270	8.9
97.02845	1.8
97.06483	1.6
99.00748	3.2
101.02323	25.5
111.08063	1.5
113.02330	29.0
119.03421	5.0
124.01562	2.0
125.02354	1.8
131.03394	1.6
142.02606	1.0
143.03400	1.3
151.11198	3.1
152.99483	1.4
161.04449	1.6
169.12259	4.7
179.14268	2.0
181.12300	1.2
195.13765	1.8
197.11682	1.0
205.15936	1.5
209.11780	4.3
211.13300	1.1
213.11169	2.2
216.22896	0.9
223.13318	4.2
231.21065	2.0
235.48112	0.9
269.21222	1.2
275.20142	23.7
276.20459	1.9
277.21744	2.5
293.21213	59.4
294.21652	6.9
435.28848	2.0
437.25427	70.3
438.25732	9.5
455.26501	93.1
456.26859	13.8
497.27567	100.0
498.28027	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	498.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70371	0.2
59.01248	4.9
61.98703	100.0
62.40041	0.2
65.90318	0.2
67.52145	0.2
69.68451	1.2
71.01254	0.4
88.95112	0.2
101.02322	0.3
108.13599	0.2
113.02374	0.3
130.62268	0.2
141.69884	0.3
141.82736	0.2
170.25891	0.2
173.83199	0.3
219.30756	0.2
330.23688	0.3
493.44894	0.2
498.25919	0.5
499.30670	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29100	1.0
55.01768	7.0
57.03324	7.3
59.01254	16.0
61.98694	2.4
69.46677	7.7
70.02898	1.1
71.01254	22.8
72.99158	2.2
73.02819	33.3
77.76756	1.0
83.01259	85.4
83.04926	1.3
84.01579	2.7
85.02826	11.6
87.00733	1.8
89.02309	6.5
95.01263	2.5
99.00759	19.4
101.02321	76.1
104.04911	1.0
113.02335	8.9
119.03413	3.2
125.02315	1.9
125.22923	1.0
127.00266	43.8
143.03365	2.2
161.04468	4.7
176.11685	1.0
179.05479	1.3
240.49333	1.3
333.08212	1.0
499.21875	100.0
500.22232	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	499.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	4.2
57.03326	3.6
58.00457	0.6
59.01254	17.4
61.98685	1.2
69.03336	0.6
69.23450	4.6
70.09363	0.5
71.01255	17.5
72.99171	1.3
73.02820	22.5
73.46954	0.5
76.14069	0.5
83.01259	67.7
83.73625	0.5
84.01584	1.5
85.02824	7.7
87.00760	0.6
87.04430	0.6
88.98680	2.4
89.02318	9.0
95.01283	1.4
99.00755	12.9
101.02324	64.6
102.02641	1.6
110.24352	0.5
113.02325	6.5
119.03387	3.6
121.02934	0.5
127.00266	34.8
128.00645	0.8
143.03397	1.1
145.08574	0.9
152.01028	0.6
161.04448	2.5
167.03502	1.0
179.05536	1.8
193.05048	0.5
371.20657	1.1
455.31784	0.6
498.42123	0.6
499.21869	100.0
500.22211	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	499.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40819	0.6
55.01757	5.8
57.03328	3.3
57.28296	0.6
59.01251	21.0
61.98681	0.7
65.38567	0.6
69.25941	4.8
69.40974	0.5
71.01254	24.0
71.26945	0.5
72.22890	0.5
72.99158	1.3
73.02819	28.7
74.03157	0.6
78.95772	0.8
83.01260	92.1
84.01593	2.4
85.02828	7.6
85.36641	0.5
87.00747	1.2
89.02321	9.6
95.01266	1.9
96.93990	0.5
99.00755	17.3
101.02324	77.2
102.02659	1.8
113.02322	8.7
119.03385	3.7
125.02391	0.9
127.00266	44.7
128.00609	1.5
131.03394	0.7
145.01343	0.8
152.99486	0.7
161.04459	3.1
163.28543	0.6
165.88808	0.5
179.05489	1.5
294.28217	0.6
312.75522	0.5
499.21863	100.0
500.22253	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	499.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03357	0.8
59.01250	71.9
61.98697	0.9
77.56466	0.8
78.95782	9.8
85.69704	0.9
109.23203	0.8
120.73892	0.9
152.99477	12.4
153.75377	0.8
171.00526	3.1
227.03186	1.6
245.04251	6.0
271.22775	100.0
272.23111	9.5
294.00995	0.9
327.36566	0.9
329.98932	0.8
335.33939	0.9
404.01602	0.8
425.30270	1.3
437.30359	1.4
455.31229	5.2
499.25693	22.2
499.32745	2.2
500.27167	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03357	0.8
59.01250	71.9
61.98697	0.9
77.56466	0.8
78.95782	9.8
85.69704	0.9
109.23203	0.8
120.73892	0.9
152.99477	12.4
153.75377	0.8
171.00526	3.1
227.03186	1.6
245.04251	6.0
271.22775	100.0
272.23111	9.5
294.00995	0.9
327.36566	0.9
329.98932	0.8
335.33939	0.9
404.01602	0.8
425.30270	1.3
437.30359	1.4
455.31229	5.2
499.25693	22.2
499.32745	2.2
500.27167	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3062
Annotation	Ganoderic acid beta
Peak:m/z	Relative Intensity
50.65019	0.6
54.26936	0.8
56.80942	0.8
59.01249	3.3
61.98707	1.6
71.04890	2.4
71.52219	1.0
72.99172	4.8
114.09588	0.6
125.09644	2.7
151.11044	0.7
152.85728	0.6
187.09715	1.6
201.11217	1.1
218.02205	0.7
291.19415	0.8
395.29709	1.4
419.29559	1.2
425.30542	3.1
437.30563	10.3
438.30957	2.1
453.30099	3.2
455.31552	11.8
456.31876	3.1
481.29517	4.4
482.29800	1.4
499.30652	100.0
500.30933	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	501.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12595	0.4
57.03321	0.5
59.01251	5.8
61.98690	0.7
71.01252	6.1
72.99218	0.4
73.02818	2.0
83.00826	0.5
83.01257	3.2
85.02831	2.3
89.02300	3.4
93.03350	0.6
95.01253	0.6
97.02860	0.4
97.10020	0.5
98.20596	0.8
99.00763	2.2
101.02328	4.1
102.02685	0.6
113.02340	2.5
117.03366	1.9
119.04916	100.0
120.05253	4.5
121.02845	2.0
123.04373	0.5
127.00256	0.9
131.03447	0.4
132.02065	4.2
133.02853	8.0
134.03638	11.6
135.04420	5.6
137.02327	1.1
145.02835	3.3
147.04340	0.5
149.04485	2.3
149.05974	1.2
160.01573	21.5
161.02353	26.0
161.04489	1.0
162.02779	1.3
163.03920	51.1
164.04289	3.4
175.03928	25.2
175.05486	0.6
176.04308	1.0
177.01839	0.8
177.05499	10.2
178.02594	0.7
178.05849	0.8
179.03426	5.5
191.05598	0.6
193.04993	10.6
194.05304	0.7
205.05052	0.5
221.04524	2.0
233.06572	1.0
251.05806	0.5
263.05579	0.6
280.05853	0.6
299.02057	0.5
323.07721	29.1
324.08194	2.5
337.09274	27.0
337.13385	1.0
338.09750	2.5
344.00482	0.5
501.14154	22.7
501.22534	4.6
501.31631	2.8
502.14200	3.3
502.21396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49456	0.8
54.18753	0.8
57.03317	1.5
58.00475	1.7
59.00957	1.6
59.01249	21.8
61.98681	1.7
69.03320	1.3
70.87469	0.8
70.91714	1.8
71.01254	19.2
71.04890	5.6
72.99168	2.3
73.02794	2.1
73.98827	0.8
75.00716	0.8
81.03327	14.6
83.01246	1.4
84.02028	1.5
85.02831	4.9
87.00772	2.0
89.02318	12.2
93.03332	3.4
95.01229	1.6
96.95891	1.3
97.02818	1.5
99.00752	1.7
99.04414	6.0
101.02326	12.5
113.02321	9.0
116.04657	2.1
117.03352	7.4
119.03487	6.5
119.04914	42.2
120.05231	1.9
121.02822	3.9
123.04379	1.5
125.02335	2.4
132.05688	3.6
133.02870	2.0
133.06482	15.3
134.03609	1.6
134.06783	1.0
135.04388	1.7
143.03404	26.3
145.02856	35.4
146.03201	1.2
147.04437	1.1
149.05983	1.2
151.03899	1.9
161.02335	2.7
161.04616	1.7
161.05984	33.7
162.06332	1.4
163.03917	42.8
164.04190	2.3
175.06059	1.5
177.05486	13.0
178.05768	1.1
179.03377	2.3
179.05614	1.7
187.03897	1.9
193.05075	1.7
193.07022	2.1
201.04231	1.1
205.05003	31.9
206.05304	2.3
220.38405	1.0
235.06143	10.0
265.07153	19.7
266.07535	2.1
297.86108	1.1
325.09210	1.8
355.12448	79.4
356.12769	7.1
401.28534	0.8
501.16101	100.0
502.16504	16.4
504.49689	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95623	0.5
59.01249	10.2
61.81502	0.5
61.98692	2.7
62.60834	0.5
70.80860	0.7
71.01256	5.8
72.99169	0.8
73.02819	2.0
74.02315	1.0
75.00727	1.0
83.01242	1.3
85.02837	3.8
87.00741	0.8
89.02320	4.5
93.03355	0.5
95.01276	0.7
99.00751	1.2
101.02326	6.8
108.47048	0.5
113.02329	2.2
115.01474	0.5
116.03424	1.3
117.03341	0.9
123.04319	0.6
129.29121	0.5
130.08485	0.6
132.02040	1.7
133.02849	27.1
134.03287	1.1
135.04411	5.0
137.02380	0.7
160.01497	0.6
161.02350	100.0
162.02690	5.4
163.03938	0.8
165.41524	0.5
175.04004	0.8
179.03340	1.9
179.05521	1.1
193.05284	1.0
193.07045	6.3
209.22449	0.5
217.92125	0.5
311.24884	0.5
339.12930	2.2
501.16135	43.4
502.16321	6.4
508.20248	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	3.2
57.03321	18.0
58.00473	1.1
59.01251	41.2
59.84448	1.0
61.98692	3.8
68.99667	1.0
69.03316	3.6
69.22250	0.9
71.01254	78.3
71.31786	1.6
72.29059	0.9
72.99175	3.9
73.02818	28.6
74.98956	1.2
75.00750	2.7
75.46770	0.8
78.95769	1.9
81.03295	1.6
83.01254	7.4
83.57183	0.8
85.02821	33.8
87.00748	4.3
89.02319	33.8
93.03333	1.2
95.01265	6.6
96.95935	1.1
97.02821	2.7
98.13596	1.0
99.00760	56.7
100.01113	1.2
101.02322	38.7
101.50307	0.9
109.02828	1.1
109.06461	1.0
111.00748	1.7
111.04366	1.0
113.02331	39.6
114.02676	1.2
119.03379	2.8
119.04912	3.1
121.06463	1.9
122.43721	0.9
123.08038	1.6
124.93171	0.9
125.02328	3.4
129.01830	7.7
131.03406	7.4
133.02869	1.1
134.03636	1.7
135.04427	1.7
135.08012	0.9
137.02405	1.0
137.09650	5.0
143.03380	4.8
145.02861	2.1
149.04457	31.5
150.04816	1.2
159.02931	4.7
161.02319	3.2
161.04462	48.0
162.04840	2.6
163.03920	1.2
163.11229	1.1
175.03874	1.0
179.03453	2.5
189.12756	1.5
191.05540	23.6
192.05815	1.3
192.11476	8.0
193.05002	2.1
205.03499	1.7
207.13849	26.3
208.14229	1.5
232.20526	0.8
233.06662	7.0
263.12543	0.9
293.08759	3.7
307.08038	1.4
398.08841	1.3
465.23505	3.9
501.23416	100.0
502.23605	16.3
517.32343	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	4.1
59.00953	5.5
59.01249	100.0
61.98707	26.4
71.01255	85.1
71.07723	5.5
72.99155	10.3
73.02824	34.5
75.00732	4.4
78.95786	4.9
83.01250	12.5
85.02821	35.8
87.00738	12.3
89.02319	80.1
95.01259	9.7
96.95856	4.3
99.00162	6.6
99.00755	70.5
101.02316	44.3
113.01627	4.0
113.02338	37.0
115.00277	3.8
117.03333	4.7
119.03375	15.9
119.04915	80.6
120.05267	3.6
129.01810	25.9
130.08594	11.4
131.03404	16.2
132.02063	5.3
133.02829	12.9
134.03613	17.7
135.04370	10.2
137.02328	5.7
143.03403	4.6
145.02849	15.7
149.04474	52.5
149.05733	6.0
160.01591	24.3
161.02345	31.8
161.04466	13.3
163.03906	46.6
166.80112	3.7
175.03896	28.3
177.01810	8.8
177.05542	7.1
179.03398	9.8
179.05550	7.1
191.05620	17.2
193.04993	23.3
221.04382	4.7
222.26198	3.4
233.06593	9.1
250.91583	3.4
323.07733	12.8
327.16379	3.5
331.17715	6.2
337.09149	17.1
360.68985	4.1
443.21783	3.2
443.28790	4.2
463.21716	32.1
464.21698	6.6
465.22745	7.6
501.13773	16.2
501.23065	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	501.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67590	1.7
57.03312	3.6
59.01250	70.6
69.24133	8.3
69.24557	8.4
69.76675	2.2
71.01255	66.1
72.99182	7.5
73.02820	25.3
75.00749	2.9
83.01249	15.1
85.02830	19.8
87.00765	3.9
89.02316	100.0
90.02640	1.9
95.01255	6.4
95.99631	1.6
96.95872	2.0
99.00756	75.7
101.02327	32.9
102.02682	1.9
102.10062	2.0
113.02328	39.6
119.03400	11.4
119.04927	2.5
125.02370	1.9
127.00237	7.0
127.41179	2.0
130.08592	2.2
131.03384	19.2
134.03670	4.1
143.03433	4.2
145.02826	3.8
148.48572	1.9
149.04457	89.0
150.04750	3.4
161.04483	17.8
170.54970	1.9
175.03828	3.0
178.02611	2.7
179.05527	6.1
181.05003	2.0
191.05531	30.9
193.04987	4.4
226.33716	1.9
233.06573	21.1
293.08731	5.7
307.08298	3.3
325.05426	3.1
443.06061	2.1
454.16818	2.4
465.23294	5.7
501.23566	23.4
502.23965	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	501.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58321	3.5
58.04646	3.0
59.01247	97.8
71.01256	74.3
72.99178	10.3
73.02834	21.1
75.31506	3.3
83.01248	8.0
85.02839	17.7
87.00758	4.8
89.02317	100.0
95.01272	7.0
99.00760	76.7
101.02326	29.1
113.02329	45.4
119.03416	16.6
128.03421	3.5
131.03445	16.0
149.04457	83.0
156.22897	3.2
161.04466	14.2
175.04027	4.5
179.05498	4.9
180.20946	3.5
191.05582	33.4
193.05023	7.0
215.15318	3.6
233.06619	10.1
293.08594	5.2
325.05386	8.7
424.22791	3.9
465.23169	8.0
501.23312	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	501.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01599	1.5
69.26930	4.2
71.01271	1.7
71.04906	0.7
73.02812	2.3
83.04893	4.0
85.02843	0.6
89.02312	0.9
90.51337	0.4
97.06522	0.5
98.20508	0.9
101.02318	2.2
103.71883	0.5
113.02398	0.6
138.40683	0.4
161.04439	0.7
192.15317	0.4
207.38255	0.4
214.93826	0.5
217.02188	0.5
238.39464	0.5
255.37225	0.5
305.22726	0.9
336.75229	0.5
341.68839	0.5
381.22717	0.6
387.26770	0.6
399.23993	1.1
405.27808	2.2
417.27728	0.7
429.30087	0.7
439.32278	0.7
451.28253	0.5
457.33194	1.7
471.30798	0.6
483.31201	9.8
484.31406	1.6
501.32260	64.0
502.32562	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.322
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
52.14693	0.4
58.18895	0.4
58.55035	0.3
75.81821	0.3
93.99235	0.3
98.20567	0.7
153.40425	0.4
154.76454	0.4
180.38182	0.4
189.12790	1.1
205.37593	0.3
377.28284	0.6
379.30060	0.8
383.07065	0.4
413.34152	2.4
423.29007	19.8
424.29364	4.5
437.30286	0.4
439.32138	18.6
440.32455	3.7
457.27209	0.6
457.33240	9.2
458.33459	2.0
469.33237	2.1
470.33932	0.5
483.31024	3.8
484.31406	0.5
501.32193	100.0
502.32510	19.2
504.99377	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30575	0.5
53.48716	0.4
55.01758	0.5
59.01254	20.2
63.71239	0.4
69.16759	4.1
71.04884	0.7
73.02805	0.5
83.04894	6.2
85.42030	0.5
101.02316	0.6
101.78285	0.4
168.92174	0.5
243.10490	0.4
248.74686	0.4
288.83923	0.4
305.22696	0.5
325.25424	0.5
353.24875	1.1
373.27481	2.9
399.27066	0.6
417.27823	0.8
419.29556	1.9
429.30054	1.5
437.30624	0.7
439.32108	1.8
457.33429	2.2
483.31171	26.3
484.31509	4.6
501.32248	100.0
502.32590	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	501.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21843	0.4
54.73638	0.5
55.01741	0.6
59.01253	61.2
60.01591	0.5
60.39390	0.5
66.17136	0.4
71.01254	1.0
73.02808	0.7
83.04901	5.5
89.02304	1.2
94.15553	0.4
101.02347	0.9
113.02311	0.9
125.01427	0.5
280.67459	0.5
387.27155	1.1
405.27917	2.0
417.27887	0.6
429.29880	2.3
438.59494	0.5
457.33356	1.0
471.31357	1.5
483.31174	14.9
484.31747	3.4
489.32065	0.6
501.32248	100.0
502.32596	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	501.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.5
59.01247	1.7
60.24688	0.3
69.31483	2.2
71.04878	0.7
77.01685	0.3
83.04903	1.0
90.56231	0.3
127.57961	0.3
135.52354	0.3
176.23489	0.3
215.14386	0.6
363.15262	0.4
385.27667	0.5
387.28967	0.4
419.29459	0.5
421.31265	2.4
422.31497	0.6
423.29095	1.1
437.30557	4.6
438.30872	1.1
439.32166	17.6
440.32642	2.6
441.30014	0.5
453.30057	0.5
455.31607	3.8
456.32263	0.6
457.33212	2.8
458.33871	0.4
483.31253	6.8
484.31482	1.7
501.32227	100.0
502.32565	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37429	0.5
59.01250	24.4
60.01591	0.5
69.19890	4.1
71.04887	1.3
83.04895	7.9
118.67310	0.5
131.56381	0.6
177.50125	0.5
241.12454	0.5
305.22595	0.6
341.24838	0.7
353.24713	1.7
373.27350	2.0
389.28729	0.7
405.28174	0.7
407.29373	0.6
417.28024	0.7
419.29553	2.1
421.31409	0.8
423.28696	0.9
429.30038	1.3
439.32016	1.7
451.28485	1.6
457.33218	16.2
458.33517	3.2
471.31073	1.6
483.31128	25.8
483.38120	1.2
484.31345	4.9
501.32211	100.0
502.32568	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	501.3222
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
57.03321	1.0
58.00474	0.5
59.03388	0.3
71.04881	0.7
71.56117	0.3
73.02799	1.2
83.04904	0.8
85.17670	0.3
91.36762	0.3
98.19743	0.6
138.39116	0.3
140.21707	0.4
167.88487	0.4
182.43483	0.4
229.45308	0.4
300.77121	0.4
361.25323	0.5
363.26889	0.7
377.28354	0.6
379.29953	0.8
384.34869	0.3
389.24878	0.4
391.30115	0.6
393.31610	1.4
401.28452	1.5
403.29947	1.0
407.29645	0.8
409.31168	1.2
411.32980	0.4
417.27963	0.5
419.29599	0.8
421.31219	5.6
422.31216	0.8
423.29022	0.7
437.30637	1.0
439.32147	1.6
441.30161	0.6
453.30081	2.2
454.30334	0.5
455.31564	4.2
456.31982	0.6
457.33258	0.8
471.31152	2.3
483.31152	3.1
484.31497	0.8
501.32217	100.0
502.32581	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	501.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	0.7
59.01263	0.9
60.99157	0.2
65.28649	0.2
68.99680	0.2
71.01261	0.4
71.04897	0.3
71.22732	0.4
73.02815	0.5
97.06455	1.2
101.06062	0.2
102.22243	0.2
123.08044	0.2
153.09082	0.3
170.43558	0.2
277.21719	2.5
373.25098	0.3
375.26837	0.3
381.27914	0.5
387.30597	0.5
389.28558	3.9
390.28769	0.7
393.31470	0.3
405.31802	0.7
406.28729	4.8
407.29333	1.9
421.31204	3.6
422.31757	0.4
423.32687	9.2
424.33167	1.7
437.30676	0.4
439.28293	0.8
439.32712	0.7
455.25732	0.2
455.31668	0.9
457.33252	1.0
467.31400	0.4
469.33212	100.0
470.33575	18.0
483.31085	0.7
501.32300	6.2
502.31198	1.0
502.37659	0.3
513.32019	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1614
Annotation	fagopyritol A2
Peak:m/z	Relative Intensity
55.01734	1.4
57.03318	4.0
58.00454	4.6
58.81215	1.1
59.01248	100.0
60.01573	1.6
65.16116	1.1
67.69761	1.1
69.03315	2.0
71.01253	83.7
71.04881	1.1
72.01574	1.7
72.99187	5.3
73.02828	10.4
83.01266	5.3
85.02827	14.2
87.00751	25.3
89.02318	91.6
90.02654	2.3
95.01257	4.0
96.96827	2.0
97.02828	3.0
99.00742	2.8
99.04404	2.8
101.02322	57.6
104.55693	1.0
107.03384	2.2
111.00759	2.7
113.01528	1.7
113.02325	34.4
113.03079	2.4
115.03952	1.5
119.03384	15.9
125.02344	4.2
127.00256	1.2
129.01869	1.4
131.03354	6.0
135.04408	2.6
143.03398	10.5
149.04466	1.6
160.06046	1.7
161.04468	23.6
165.14586	1.2
167.03386	1.9
179.05531	92.1
180.05904	2.4
221.06610	50.8
222.06992	3.3
263.07651	2.3
281.08762	3.6
310.57791	1.3
323.09760	7.8
341.10873	5.1
484.69385	1.2
503.16202	50.3
504.16489	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	503.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43295	0.6
52.47628	0.5
55.01753	0.9
57.03329	0.8
59.01250	12.6
61.98701	1.6
68.33273	0.6
71.01253	100.0
71.51227	0.5
71.51707	1.1
72.01601	1.9
72.99181	15.1
73.02812	2.8
75.00751	0.8
78.66052	0.5
78.95784	2.7
83.01247	1.6
83.04910	0.7
85.02825	4.6
86.11482	0.5
87.00748	1.9
88.47502	0.5
89.02326	7.2
95.01247	0.6
95.04970	0.7
96.95888	0.5
97.02839	0.9
99.00764	2.7
101.02331	9.2
109.06495	2.4
113.02333	6.7
115.00267	9.9
119.03381	3.3
119.46042	0.5
123.08049	4.8
129.32195	0.5
131.03456	1.0
137.09656	0.9
143.03403	1.8
145.02898	1.0
152.99475	5.0
159.02916	1.7
161.02409	0.6
161.04466	11.6
161.05806	1.0
162.04784	0.8
163.11174	5.1
164.04695	13.3
171.10176	1.8
179.05530	5.6
179.07072	15.7
180.07373	1.3
181.12404	0.6
189.12767	6.4
202.06610	0.5
207.10262	2.8
207.13808	10.3
208.14229	1.1
225.11336	3.7
225.14819	3.7
285.03943	0.7
341.12503	3.5
387.20233	9.7
388.20605	1.5
431.19189	2.9
453.15118	4.2
471.16437	2.0
485.20325	12.1
486.20944	2.6
503.21512	9.7
504.21912	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2501
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
55.01767	3.3
57.03321	3.7
58.00470	1.5
59.01252	32.5
60.01610	0.5
69.03346	0.7
71.01254	46.9
72.01595	0.7
72.99177	1.6
73.02817	16.3
75.00750	0.9
78.95776	1.4
83.01262	7.7
84.02058	0.4
85.02822	18.7
85.99968	0.6
87.00761	2.2
89.01755	0.8
89.02319	18.3
95.01266	3.7
97.02837	1.3
98.20561	1.2
99.00752	17.0
101.02322	30.6
102.02657	1.0
111.00745	0.8
112.01535	0.6
113.02331	21.1
114.02670	0.5
119.03399	3.1
125.02325	1.5
129.01839	0.4
131.03372	2.4
135.04427	0.6
137.09612	0.9
137.25760	0.4
143.03406	1.9
149.04460	5.5
152.99503	1.9
159.02884	2.8
161.02383	1.0
161.04460	16.3
162.04886	0.7
171.10187	4.1
179.05540	1.2
191.05557	4.6
191.14485	0.6
207.10188	1.7
209.15413	5.3
210.15750	0.5
225.11307	1.3
228.62785	0.5
229.41611	0.6
233.06699	1.1
293.08926	0.6
305.17557	0.6
371.20728	34.2
372.20947	3.0
399.14130	1.0
434.38879	0.5
467.24881	1.2
503.24982	100.0
504.25351	19.2
504.31961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.5
57.03312	1.7
58.00464	1.3
59.01250	40.7
60.01579	0.6
61.98689	0.7
62.83504	0.5
63.67262	0.5
71.01251	42.0
72.01595	1.0
72.99172	2.0
73.02818	26.0
75.00753	0.6
83.01287	2.5
85.02821	14.8
86.03165	0.5
87.00745	1.6
89.02316	53.0
90.02664	0.7
95.01267	6.0
98.19762	1.2
99.00755	100.0
100.01089	1.9
101.02321	14.0
113.02331	41.0
114.02672	1.6
115.03880	0.5
119.03405	3.1
125.02319	0.6
129.01636	0.5
131.03395	16.9
135.04439	0.6
137.02347	1.1
139.03876	2.7
143.03442	2.3
149.04459	65.5
150.04822	2.5
151.03946	0.8
161.02420	1.0
161.04460	20.1
179.05540	0.7
191.05539	43.8
192.05920	2.1
233.06606	14.5
234.06961	0.7
255.02937	3.4
283.02478	2.1
284.03012	0.7
293.08813	5.1
293.57996	0.6
311.09879	0.8
323.09229	0.6
357.13007	0.6
371.20850	0.8
452.82162	0.6
459.22409	0.9
469.27948	0.5
488.09573	0.6
503.12125	4.5
503.25040	7.1
503.33411	2.4
504.12347	0.5
504.25177	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.7
57.03316	6.3
58.00466	2.7
59.01250	66.8
61.98699	3.0
65.88686	1.2
69.03318	1.2
70.91597	1.1
70.91930	2.3
71.01254	69.9
72.99199	5.2
73.02820	31.1
75.00755	3.3
78.95773	6.5
83.01237	7.5
83.04925	2.0
85.02824	27.4
87.00766	4.7
89.02318	63.1
93.03357	1.3
95.01262	9.1
97.02839	3.3
99.00758	100.0
99.04339	1.3
100.01129	2.6
101.02320	28.6
108.02083	5.3
109.02854	6.3
109.06509	3.4
113.02332	50.6
117.03374	1.2
119.03390	10.0
123.04396	1.7
125.02399	2.8
129.05539	1.5
130.08629	1.3
131.03409	14.7
133.02887	2.7
135.04422	6.1
137.02354	1.6
143.03445	5.0
145.02885	3.3
149.02548	2.5
149.04462	75.5
152.01079	5.3
152.99484	9.0
153.01875	4.3
159.02917	3.0
161.02438	7.9
161.04466	30.4
163.03960	2.0
163.11197	2.5
165.05496	1.2
177.01924	3.4
179.03502	3.2
179.05528	5.9
181.01407	4.8
191.05548	55.2
192.05817	1.4
195.02878	1.5
201.11333	1.5
207.10236	4.9
225.11375	5.9
233.06665	18.4
284.03705	1.4
285.04266	1.5
293.08884	7.0
311.10336	1.9
323.19003	1.8
453.15387	4.6
466.23874	1.3
485.18030	6.2
503.19110	5.6
503.25275	42.3
504.14474	8.3
504.25253	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.25
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45605	0.4
55.01756	3.5
57.03325	4.3
58.00456	1.6
59.01252	34.3
60.45847	0.3
61.98698	2.9
67.01761	0.5
69.03317	1.0
69.88754	2.1
71.01254	48.3
72.01574	0.7
72.99180	2.2
73.02818	19.0
74.03136	0.5
75.00742	1.3
83.01258	6.3
85.02825	21.2
86.00021	0.5
86.03165	0.5
87.00747	2.6
89.02319	16.7
95.01257	3.3
97.02827	1.3
99.00758	18.5
100.01124	0.5
101.02323	30.5
101.53327	0.4
102.02663	0.8
111.00739	0.9
113.02334	19.6
114.02708	0.8
119.03409	2.2
123.08023	0.7
125.02344	1.6
129.01796	0.8
131.03403	1.6
133.02846	1.3
135.04405	1.2
137.09625	1.6
143.03401	1.4
145.02867	0.8
147.04475	0.6
149.04456	5.9
159.02913	3.6
161.02388	0.9
161.04465	15.6
165.05476	0.9
171.10225	0.5
177.01862	0.9
179.03258	0.5
179.05595	0.6
189.12801	0.5
191.05478	3.0
195.06514	0.6
205.03395	0.7
209.15425	5.6
225.14886	0.5
233.06612	1.0
233.15454	0.6
265.00302	0.5
269.39972	0.4
277.43118	0.4
307.08151	0.8
335.20770	0.6
353.19540	0.6
371.20728	35.6
372.21143	5.3
375.83939	0.4
395.90079	0.5
467.25021	3.7
468.25327	0.5
503.24985	100.0
504.25327	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	503.2502
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
55.01755	2.3
57.03311	1.8
58.00463	1.3
59.01250	30.6
60.23347	0.5
62.56564	0.5
67.89921	0.5
69.03313	0.6
69.17202	4.8
71.01253	44.1
71.04883	2.2
72.01576	0.9
72.99174	2.3
73.02817	16.7
75.00748	1.0
83.01260	4.7
85.02820	17.9
87.00731	2.4
89.02317	17.9
95.01251	3.8
97.02791	1.2
99.00753	16.7
101.02324	22.3
102.02625	0.9
111.00741	1.0
113.02328	22.7
117.03321	2.5
119.03377	4.2
119.04919	1.6
125.02312	1.6
129.01788	0.6
131.03394	1.9
133.02847	0.5
137.09628	7.8
139.11180	8.2
143.03384	1.9
144.30228	0.6
145.02852	7.1
145.06422	0.5
146.03082	0.9
149.04468	3.9
151.55984	0.6
155.06552	0.5
159.02887	3.7
161.02394	0.8
161.03224	1.0
161.04466	19.1
162.04767	1.2
163.03925	1.5
164.41963	0.5
165.12715	0.6
174.45503	0.6
176.81898	0.5
179.03378	1.1
179.05479	1.8
185.07005	0.6
191.05562	2.8
191.14383	2.9
209.13652	0.8
209.15431	12.4
210.15746	1.3
233.06680	0.5
293.31201	0.5
298.15494	0.6
371.20688	12.3
372.21097	1.7
445.46487	0.6
453.29886	0.6
485.24918	0.6
485.32690	2.2
503.24899	100.0
503.33420	21.0
504.25235	17.1
504.33829	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	503.2502
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
55.01757	2.0
56.99693	0.3
57.03320	4.8
58.00463	1.8
59.01250	39.6
60.01558	0.4
68.99675	0.2
69.03328	0.9
69.89417	0.8
71.01254	58.5
72.01582	1.0
72.99180	2.5
73.02818	28.5
74.03159	0.4
75.00751	1.0
78.95768	0.6
83.01260	4.3
83.04890	1.1
84.02053	0.5
85.02823	24.5
86.03155	0.5
87.00764	2.0
89.02316	51.8
90.02647	0.8
93.03280	0.2
94.15096	0.2
95.01266	7.3
97.02825	1.1
99.00758	100.0
100.01079	2.2
101.02320	24.1
102.02668	0.6
109.06465	0.6
111.00791	0.3
112.01546	0.5
113.02331	48.4
114.02674	1.5
115.03899	0.4
119.03384	4.9
119.04809	0.2
121.88107	0.2
123.08029	0.2
125.02332	1.1
129.01794	0.4
131.03395	15.7
132.03735	0.4
135.04419	0.4
137.02332	0.3
139.00241	0.4
143.03403	4.3
143.04538	0.2
145.02840	0.5
149.04460	67.6
150.04800	2.4
152.99467	0.8
153.01714	0.5
159.02908	1.4
161.04465	32.8
162.04773	1.2
163.11246	0.4
179.03458	0.6
179.05515	2.0
181.01375	1.5
181.07086	0.3
191.05537	56.3
192.05917	2.3
196.39363	0.2
207.10182	0.7
207.13780	0.3
209.15385	0.9
225.11264	0.6
233.06621	16.9
234.06966	1.3
293.08762	6.0
294.09094	0.5
305.17358	0.2
311.09811	1.3
371.20914	1.0
453.15118	0.5
485.17816	0.9
503.24976	38.3
504.25275	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	503.3372
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
55.01775	0.3
57.03311	0.8
57.41784	0.2
58.00461	0.4
59.01254	4.3
60.68457	0.2
61.98694	0.8
63.63298	0.2
69.49049	1.4
69.49458	0.4
70.24889	0.2
71.01251	2.6
71.04906	0.5
72.99174	0.5
73.02831	1.3
75.00749	0.5
78.95753	0.3
83.01260	0.4
83.04884	0.3
85.02809	1.0
87.00740	0.9
89.02313	1.6
90.98472	0.6
93.03336	0.6
95.01244	0.4
99.00761	1.0
101.02328	1.3
107.04945	0.2
109.02837	0.3
111.04415	0.3
112.99982	0.2
113.02334	1.6
117.03391	0.2
119.03429	0.2
119.04923	1.9
120.52249	0.2
123.04423	0.4
127.22256	0.3
133.02861	0.6
134.03622	0.8
135.04349	0.4
136.01558	0.6
137.02336	0.9
145.02823	1.0
146.03177	0.3
149.02301	0.3
149.04491	0.2
149.06010	0.3
151.03947	1.3
161.02222	0.3
161.04404	0.5
163.03941	1.2
177.01851	2.6
178.43471	0.3
179.03378	0.5
179.05435	0.3
193.04994	0.8
194.05260	0.3
195.05510	0.5
218.29491	0.2
284.03329	0.3
300.02457	0.3
307.08075	0.4
347.23700	0.3
357.13541	0.5
363.26947	1.4
371.20825	0.4
375.27048	0.5
377.24374	0.3
377.28506	0.9
379.30084	2.4
380.30249	0.4
381.31686	0.3
385.29269	0.2
385.99619	0.2
387.26883	0.8
389.24551	0.5
391.30072	2.2
392.30423	0.6
393.27402	0.4
393.31622	0.8
401.28412	1.3
403.29913	0.6
405.27893	0.3
407.29663	1.2
409.31158	14.8
410.31427	2.4
415.39371	0.2
417.28030	0.7
419.29477	1.0
421.31128	5.4
422.31516	1.1
423.29068	0.7
425.30789	0.6
427.32373	0.3
435.29062	0.8
439.31979	0.8
441.33780	4.9
442.33893	0.8
453.30118	6.9
454.30084	1.1
455.31784	0.3
457.33191	4.6
458.33652	0.7
473.32794	3.4
474.33090	0.7
485.32736	5.2
486.33054	0.9
503.33771	100.0
504.34143	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	503.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.3
57.03311	0.8
57.41784	0.2
58.00461	0.4
59.01254	4.3
60.68457	0.2
61.98694	0.8
63.63298	0.2
69.49049	1.4
69.49458	0.4
70.24889	0.2
71.01251	2.6
71.04906	0.5
72.99174	0.5
73.02831	1.3
75.00749	0.5
78.95753	0.3
83.01260	0.4
83.04884	0.3
85.02809	1.0
87.00740	0.9
89.02313	1.6
90.98472	0.6
93.03336	0.6
95.01244	0.4
99.00761	1.0
101.02328	1.3
107.04945	0.2
109.02837	0.3
111.04415	0.3
112.99982	0.2
113.02334	1.6
117.03391	0.2
119.03429	0.2
119.04923	1.9
120.52249	0.2
123.04423	0.4
127.22256	0.3
133.02861	0.6
134.03622	0.8
135.04349	0.4
136.01558	0.6
137.02336	0.9
145.02823	1.0
146.03177	0.3
149.02301	0.3
149.04491	0.2
149.06010	0.3
151.03947	1.3
161.02222	0.3
161.04404	0.5
163.03941	1.2
177.01851	2.6
178.43471	0.3
179.03378	0.5
179.05435	0.3
193.04994	0.8
194.05260	0.3
195.05510	0.5
218.29491	0.2
284.03329	0.3
300.02457	0.3
307.08075	0.4
347.23700	0.3
357.13541	0.5
363.26947	1.4
371.20825	0.4
375.27048	0.5
377.24374	0.3
377.28506	0.9
379.30084	2.4
380.30249	0.4
381.31686	0.3
385.29269	0.2
385.99619	0.2
387.26883	0.8
389.24551	0.5
391.30072	2.2
392.30423	0.6
393.27402	0.4
393.31622	0.8
401.28412	1.3
403.29913	0.6
405.27893	0.3
407.29663	1.2
409.31158	14.8
410.31427	2.4
415.39371	0.2
417.28030	0.7
419.29477	1.0
421.31128	5.4
422.31516	1.1
423.29068	0.7
425.30789	0.6
427.32373	0.3
435.29062	0.8
439.31979	0.8
441.33780	4.9
442.33893	0.8
453.30118	6.9
454.30084	1.1
455.31784	0.3
457.33191	4.6
458.33652	0.7
473.32794	3.4
474.33090	0.7
485.32736	5.2
486.33054	0.9
503.33771	100.0
504.34143	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	503.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.6
58.84254	0.5
59.01255	0.5
70.43028	1.2
71.04884	2.8
73.02827	0.7
83.04916	0.5
84.71728	0.5
205.15991	1.0
363.26883	1.0
377.28516	1.0
379.30090	1.5
387.30560	1.2
389.29108	0.5
391.30118	1.7
401.28418	0.6
407.29636	1.0
409.25967	0.5
409.31183	9.6
410.31308	1.9
417.27689	0.6
421.31192	4.8
423.32950	4.6
425.30536	1.5
435.29202	0.5
439.32065	1.2
441.33749	17.3
441.63770	0.5
442.34070	4.5
453.30032	4.4
454.30591	0.7
455.31842	0.6
457.33508	2.7
467.31845	2.3
468.31406	0.5
473.32886	2.4
474.33121	0.9
485.32782	17.6
486.33151	3.6
503.33795	100.0
504.34167	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	503.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
62.13254	0.3
71.04890	1.4
71.28860	0.5
126.55406	0.3
132.85405	0.4
149.63115	0.3
168.37587	0.4
256.98471	0.4
289.25528	0.4
377.28549	0.5
393.31534	0.7
407.29245	0.4
419.29565	1.0
421.30984	0.5
423.32645	0.3
441.33841	0.7
443.31625	1.3
453.30530	0.4
467.31570	1.0
485.25626	0.6
485.32736	12.7
486.33191	3.0
503.33780	100.0
504.34149	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	503.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16635	0.3
60.77711	0.3
62.82607	0.3
70.37664	1.1
71.04877	1.3
72.90607	0.3
76.96764	0.3
78.92549	0.3
111.51392	0.4
118.74430	0.3
124.61380	0.3
166.62856	0.3
184.27400	0.4
391.30109	0.4
393.31818	0.7
401.28571	0.6
407.29559	0.5
409.31204	0.7
419.29596	0.7
421.31030	2.0
422.31119	0.4
425.30948	0.5
439.31863	0.5
441.33521	1.6
443.31567	1.6
453.29922	1.2
457.33182	1.0
458.33133	0.4
459.35010	0.6
473.32959	0.9
485.32755	12.9
486.33072	2.8
503.33792	100.0
504.34128	19.7
508.98816	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3374
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
57.03331	0.1
59.01249	0.3
71.01266	0.2
71.04891	1.5
72.05213	0.2
72.11922	0.1
73.02816	0.2
83.04892	0.2
101.02325	0.1
104.01817	0.1
104.42047	0.1
119.08539	0.1
138.27567	0.1
198.46074	0.1
274.55667	0.1
355.26520	0.2
363.26846	0.1
367.26300	0.4
379.30209	0.2
387.29230	0.5
391.30267	0.2
393.31842	0.2
401.28629	0.3
403.26166	0.1
407.29568	0.3
409.31201	0.3
417.27994	0.1
419.29626	0.8
420.29688	0.2
421.31104	1.2
422.31738	0.1
423.29227	0.2
425.30820	0.2
437.30518	0.5
438.30905	0.2
439.31940	0.5
441.33905	0.2
443.31717	2.0
444.32092	0.4
453.30145	1.1
454.30344	0.2
459.35007	0.9
460.35101	0.2
467.31720	0.1
471.31055	0.5
473.32126	0.1
485.32736	15.6
486.26096	0.2
486.33081	3.3
503.33768	100.0
504.34131	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	503.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.2
60.01590	0.3
60.99166	0.2
61.65136	0.2
69.28919	0.2
71.01250	0.6
71.04896	1.3
71.28977	0.4
83.04893	0.3
85.02836	0.3
89.02312	0.3
90.28825	0.2
101.02308	0.5
102.86937	0.2
113.02376	0.3
160.06155	0.2
161.04448	0.2
179.05490	0.2
193.63933	0.2
367.26514	0.3
387.29102	0.3
391.30063	0.3
393.31732	0.3
401.28696	0.2
403.29910	0.3
407.29428	0.3
409.31534	0.3
419.29794	0.4
420.30112	0.2
421.30887	0.9
423.28848	0.3
425.30438	0.3
437.30634	0.5
439.32040	0.6
441.34406	0.9
443.31705	1.5
453.30008	0.8
459.34900	0.7
471.31262	0.4
473.32892	0.4
485.32703	13.1
486.33148	2.3
503.33780	100.0
504.34158	19.4
512.88123	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3379
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
57.03315	0.5
59.01259	2.5
60.01606	0.2
61.98668	0.2
70.53069	0.4
71.01266	0.8
71.04890	10.8
72.05221	0.3
73.02808	0.5
74.02330	0.5
74.79581	0.2
75.10934	0.2
83.04875	0.3
85.02852	0.3
87.00709	0.2
89.02328	0.3
97.06468	0.3
98.20461	0.2
101.02304	0.5
113.02333	0.3
116.07060	0.5
120.81022	0.2
134.37837	0.2
137.09651	0.2
139.65973	0.2
174.56660	0.2
205.15938	1.1
222.96729	0.2
337.25162	0.3
349.25348	0.3
351.26865	2.7
352.27347	0.4
363.27130	0.3
367.26364	0.7
369.28000	4.8
370.28265	0.9
371.68042	0.2
379.30054	0.3
383.29846	0.2
387.29147	0.2
389.26968	4.4
390.27222	0.7
391.30222	0.3
393.31738	0.4
397.31201	0.2
401.26944	2.3
402.27615	0.3
403.30164	0.3
405.32291	0.3
407.29306	0.8
409.31369	0.8
413.27026	2.0
414.27383	0.2
417.27777	0.3
419.29602	0.5
421.31100	1.8
422.31479	0.2
423.32767	0.5
425.30536	0.6
437.30563	0.2
439.32471	1.0
441.33853	3.3
442.33923	0.5
443.31732	0.5
453.30157	0.6
455.31488	0.3
457.33286	1.8
458.33209	0.3
459.35370	0.4
467.31601	0.5
471.31476	0.3
473.32651	1.2
485.32690	7.1
486.33255	1.5
503.33780	100.0
504.34161	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	503.338
Annotation	Unknow
Peak:m/z	Relative Intensity
67.88425	0.3
68.53490	0.3
71.04897	1.0
75.41965	0.3
75.73720	0.3
77.14349	0.3
79.36718	0.3
89.83054	0.3
90.14771	0.3
107.46819	0.3
147.21201	0.3
191.04396	0.3
208.47037	0.4
212.91098	0.3
287.89191	0.3
393.32114	0.4
419.29480	0.6
421.31073	1.3
439.32098	1.0
441.33731	2.1
442.34259	0.5
443.31638	1.6
451.36942	0.4
457.33188	0.4
459.34970	2.2
467.31708	0.5
485.32675	15.8
486.33099	3.5
503.33786	100.0
504.34146	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99781	0.2
58.00447	0.2
58.82669	0.1
62.96618	0.2
70.37498	0.2
70.37843	0.5
71.04895	1.5
83.04905	0.3
107.91433	0.1
147.18279	0.2
186.46353	0.1
189.12888	0.1
367.26413	0.5
367.52985	0.1
377.28436	0.2
387.29147	0.3
391.30420	0.2
393.31842	0.4
401.28317	0.2
407.29562	0.3
409.31183	0.4
418.63016	0.2
419.29480	0.5
421.31073	1.1
422.31647	0.3
423.28403	0.2
437.30600	0.6
439.31998	0.5
441.33664	0.4
443.31674	1.9
444.31708	0.2
453.29984	1.2
459.34732	0.6
460.34811	0.2
469.33481	0.4
471.31570	0.4
473.32657	0.2
485.32718	13.0
486.33063	2.8
503.33777	100.0
504.34125	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	503.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00457	0.6
59.01244	0.4
71.00325	0.7
87.67480	0.4
97.06460	1.2
102.46914	0.4
103.74175	0.4
107.31145	0.4
200.25099	0.4
245.26518	0.4
371.27292	0.5
374.25949	0.6
387.30682	3.4
388.30927	0.5
389.28555	4.4
390.28690	0.9
405.31619	0.9
406.28702	3.2
407.29382	1.0
421.31448	1.9
423.32681	11.3
424.32916	2.6
437.30951	0.5
439.28241	0.8
441.33578	1.1
443.31570	0.5
455.31577	1.3
459.34790	1.2
467.31750	1.8
469.33206	100.0
470.33557	19.9
485.32849	1.0
503.33832	9.4
504.34293	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15311	0.4
58.00461	1.4
59.01258	1.1
59.85678	0.4
71.01263	0.8
71.25690	0.4
73.02821	0.6
88.41972	0.4
93.82136	0.4
95.10287	0.4
97.06472	1.5
98.20666	0.8
99.77573	0.4
153.09132	0.6
181.30867	0.4
205.07690	0.5
285.32831	0.4
375.26688	0.5
377.28528	0.6
387.30731	1.4
389.28476	2.4
397.31161	0.9
406.28699	5.8
407.29272	1.9
409.31534	0.6
421.31296	2.5
423.32724	8.7
424.32965	1.4
425.30029	1.1
439.27448	0.7
439.32593	1.3
441.33981	2.3
459.33795	0.6
461.50162	0.5
467.31818	1.0
469.33215	100.0
470.33569	19.1
470.40500	0.7
485.32675	1.6
503.33670	11.6
504.33984	1.5
513.32141	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3381
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
57.03341	0.3
58.00471	0.3
59.01242	1.7
60.99175	3.4
61.98681	0.4
69.03309	0.3
71.01269	0.5
71.04892	6.6
71.52203	0.4
73.02802	0.3
74.18179	0.3
74.33675	0.3
83.04895	0.4
85.06449	0.3
97.06480	1.2
106.14449	0.3
109.06474	0.4
137.09599	0.5
145.02838	0.4
189.12878	0.5
205.04581	0.3
205.15918	1.4
265.17950	0.3
287.20184	0.7
334.02335	0.3
351.27020	1.2
369.27972	0.6
375.27151	0.5
387.26855	0.4
389.28302	0.6
391.30072	0.7
401.27261	0.8
401.43835	0.3
403.29694	0.4
405.27689	0.6
405.32379	0.6
407.29645	0.9
409.31042	0.6
411.32245	0.3
421.31052	2.2
423.32870	3.0
424.33231	0.5
437.30676	0.9
439.32294	1.5
441.33932	2.9
442.34473	0.5
443.31857	0.8
451.28333	0.7
455.31537	2.7
456.32111	0.8
457.33112	0.7
459.34891	11.5
460.35226	2.4
467.31494	2.2
469.33572	1.0
473.32910	0.5
485.32831	4.0
486.33240	0.9
503.33856	100.0
504.34204	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	505.0987
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
57.03302	0.3
59.01247	3.0
61.98693	0.3
63.02267	0.5
65.00188	1.4
69.27024	0.6
69.27444	0.7
71.01257	2.0
72.99187	0.3
73.02814	0.7
80.02534	0.2
80.14407	0.2
81.03315	0.2
83.01254	1.4
85.02821	0.7
87.00751	0.2
89.02312	1.3
91.01795	0.4
93.03339	0.5
95.01249	0.2
98.20529	0.3
99.00758	0.8
99.04427	0.2
101.02342	1.3
107.01269	3.2
108.02045	1.9
109.02838	3.6
111.00751	0.5
113.02324	1.1
119.01249	0.3
119.03388	0.3
119.04868	0.3
121.02858	1.8
125.02322	0.8
133.02870	0.2
134.40056	0.2
135.00771	1.3
135.04388	0.2
137.02356	0.5
145.02864	0.5
147.00848	0.3
148.01572	1.6
149.02307	0.5
149.04449	0.3
150.03181	0.2
151.00270	10.4
152.00818	0.3
152.99445	0.2
153.01831	2.9
154.02177	0.3
159.04381	0.3
161.02397	0.2
161.04466	0.5
163.00291	2.9
163.03867	0.4
164.01093	0.8
164.98172	0.3
165.01857	0.4
167.04955	0.2
169.01306	0.8
171.04373	0.3
173.05971	0.2
174.03223	0.2
175.03941	0.4
178.99774	5.3
179.03400	0.2
180.00043	0.3
181.01366	0.4
183.02852	0.4
183.04430	0.6
187.03920	0.8
188.04932	0.2
190.02728	0.2
190.99844	0.3
191.05457	0.2
192.00574	0.4
198.03090	0.3
199.03944	1.1
201.01892	0.4
201.05515	0.5
203.03453	0.4
211.03935	1.4
212.04457	0.2
215.03438	1.1
216.04176	0.5
219.00952	0.2
226.02629	2.2
227.03427	3.5
228.04025	0.5
229.01456	0.2
229.04973	0.6
239.03410	0.4
243.02962	13.6
244.03447	1.4
245.04526	1.4
254.02179	2.9
255.02960	29.6
256.03342	3.1
257.04654	0.3
266.02313	0.2
271.02466	64.2
272.02896	7.3
273.03940	1.0
274.04312	0.2
283.02509	1.5
299.01981	1.3
300.02728	100.0
301.03427	46.6
302.03854	3.5
325.20239	0.2
343.04407	0.5
461.11072	0.2
463.08795	2.9
464.08929	0.5
505.09860	59.8
506.10172	9.3
506.17807	0.3
506.26862	0.2
533.39624	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.3
71.51349	0.5
83.34174	0.5
93.09924	0.5
105.32256	0.4
121.02845	100.0
122.03198	3.3
137.31062	0.4
137.67340	0.4
152.99493	0.5
181.06465	3.3
190.83656	0.5
191.14287	0.6
197.05960	2.5
207.04445	0.9
225.05470	2.3
257.09628	0.8
313.07156	4.8
314.07547	0.7
357.06216	1.1
383.07849	1.3
417.09732	9.9
418.10226	1.5
504.34137	2.4
505.11450	7.1
505.35571	3.5
506.12000	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.7
57.03321	0.8
58.00475	0.8
59.01251	56.5
61.98703	0.7
65.19315	0.3
67.52830	0.3
69.13731	0.4
69.94469	1.8
71.00853	0.5
71.01256	19.4
72.99179	44.8
73.02831	3.7
73.99539	0.5
75.00743	0.6
76.90096	0.4
78.95780	0.6
81.03391	0.5
83.01264	2.0
83.04905	0.4
85.02818	5.8
86.76730	0.5
87.00781	1.2
89.02319	15.8
93.03365	0.9
95.01264	2.7
95.04917	0.5
97.06454	0.5
99.00758	4.5
101.02325	13.6
107.04925	0.9
108.02053	0.6
109.02875	1.2
110.46877	0.4
111.00752	0.8
113.02326	8.6
115.03905	0.4
117.03352	8.3
119.03396	5.6
119.04906	6.4
121.02863	1.0
123.00763	6.2
123.04401	14.4
124.04803	0.6
125.02342	0.5
131.03421	0.9
134.03664	1.1
135.04416	29.1
136.04779	1.5
137.02339	1.3
137.06050	0.6
137.09630	0.6
138.03143	3.3
139.07600	1.3
143.03450	1.1
145.02853	30.5
146.03239	1.6
149.02426	0.8
149.04463	2.0
150.03055	0.6
151.00262	0.5
151.03966	1.7
152.01042	0.5
153.01852	0.8
153.05450	1.8
155.10774	0.8
161.02379	1.7
161.04523	2.0
161.05951	0.7
163.03922	4.8
163.04990	0.5
166.99774	7.1
177.01848	0.7
179.03416	27.7
179.05478	1.3
180.03813	1.4
181.01550	0.4
182.02119	19.0
183.02551	1.0
187.04050	0.5
188.38985	0.4
188.40997	0.4
191.05598	1.9
197.04486	83.4
198.04803	4.6
205.10916	0.4
207.78923	0.4
211.07872	0.5
219.91724	0.4
243.02985	0.5
247.06018	0.7
255.03075	1.1
271.02393	2.2
300.02881	3.5
301.03775	1.2
307.08215	23.3
308.08514	2.6
325.20267	1.8
341.08725	0.5
343.21579	0.5
359.09827	67.0
360.10129	6.2
373.22833	0.5
380.64429	0.4
445.24741	0.6
461.14609	0.6
487.25388	5.1
488.25949	0.5
504.34528	1.3
505.14822	18.1
505.26563	100.0
506.14551	2.9
506.26852	11.1
506.33716	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.8
59.01250	16.6
61.98693	0.7
71.01255	9.6
71.52590	0.7
72.05886	0.6
73.02827	3.4
75.00787	0.6
76.52946	0.5
83.01257	1.3
85.02825	3.9
87.00765	1.1
89.02322	4.6
90.67587	0.5
95.01267	2.1
99.00762	3.5
101.02327	6.0
107.01277	0.7
108.02056	29.5
109.02330	1.2
111.00810	0.7
113.02343	4.7
117.03358	2.3
119.03496	0.8
119.04922	15.9
120.05283	0.6
121.02842	1.7
123.00803	1.5
123.03538	1.1
123.04412	17.3
125.02338	0.7
125.59683	0.5
132.02074	8.7
133.02856	4.3
134.03651	8.9
135.04472	3.5
137.02328	2.3
139.03920	1.4
143.03404	0.7
145.02866	4.9
147.04428	1.0
149.02254	0.6
149.04475	0.9
149.05991	2.8
150.03104	0.9
151.00240	1.1
152.01064	64.1
153.01466	2.3
159.04430	0.7
160.01575	34.5
160.05186	1.6
161.02354	6.8
161.04492	1.7
161.06035	0.6
162.02856	0.9
163.03926	9.6
164.04507	0.6
165.09131	1.4
166.02635	2.8
167.03421	100.0
168.00520	0.7
168.03773	4.0
175.03932	41.3
175.07581	1.7
176.04361	2.7
177.01859	2.1
177.05466	3.7
178.02698	0.6
179.03435	3.0
181.04965	2.3
183.02905	2.7
193.05003	9.5
197.04561	1.2
217.04971	0.7
221.04494	1.6
235.06151	0.7
235.93886	0.6
286.52640	0.6
300.02762	1.0
323.07712	12.6
324.08231	1.3
325.20288	0.7
327.07214	4.8
329.13992	6.6
330.14322	0.6
330.97079	0.6
335.20782	0.7
337.09286	53.0
338.09717	4.8
341.08807	3.0
401.09598	0.6
402.87723	0.6
467.24991	4.8
468.25229	1.3
469.25360	1.2
504.25381	0.7
505.13446	6.3
505.26981	7.7
506.14432	1.6
506.26501	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16941	0.1
55.83652	0.1
59.01250	2.0
61.98697	0.5
65.00193	0.1
71.01247	1.1
73.02823	0.4
81.03326	0.5
85.02822	0.5
87.00793	0.2
89.02318	0.4
89.03835	2.1
93.03335	0.3
95.04867	0.2
98.19840	0.3
99.00758	0.2
101.02320	0.7
104.02563	0.6
105.03349	3.5
107.01287	0.2
111.00740	0.2
113.02333	0.5
117.03353	0.3
119.03374	0.2
119.04905	0.3
121.02869	0.3
123.04382	0.4
133.02849	8.8
134.03192	0.5
140.50603	0.2
145.02870	0.6
148.01550	0.5
149.02306	1.0
153.05443	0.4
161.02347	0.3
161.04379	0.3
176.01114	1.0
177.01852	100.0
178.02184	5.3
183.10249	1.0
250.50409	0.2
343.12866	0.2
373.22263	0.2
504.33746	0.2
505.17160	10.0
505.26251	1.1
505.33548	0.7
506.17490	1.8
506.24866	0.2
527.02008	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22753	0.7
55.01766	4.3
57.03319	4.2
58.00466	2.6
58.47099	0.7
59.01253	92.8
60.01598	1.5
68.99711	1.1
69.03339	1.7
71.01254	75.9
71.52280	1.2
71.80036	0.9
72.01595	1.7
72.99182	14.9
73.02820	40.3
74.03175	1.0
75.00761	2.1
78.35822	0.7
81.03333	1.1
83.01257	10.6
83.01727	1.0
83.56307	0.8
85.02826	29.8
86.00021	1.9
87.00774	3.2
89.02320	34.7
90.02654	0.9
95.01283	4.5
97.02859	2.7
99.00761	77.1
100.01073	1.8
101.02324	44.0
102.02686	1.4
109.02860	0.8
111.00790	2.5
112.01604	1.0
113.02335	31.8
119.03443	3.7
119.04963	2.7
122.03554	1.1
123.04398	4.8
125.02348	5.5
131.03397	10.4
133.02882	1.1
134.03667	1.6
135.04420	5.9
137.02390	2.3
143.03442	3.8
145.02937	3.2
149.04462	22.3
150.04865	1.0
151.00319	1.6
151.03975	1.3
153.70009	0.9
155.03456	3.0
159.02953	3.1
160.01657	3.1
161.04466	22.4
163.04016	3.1
175.03979	3.7
179.03381	7.7
191.05539	25.8
195.06868	0.8
197.04492	14.8
197.06158	1.0
203.03731	1.6
203.05539	12.0
233.06718	3.2
248.22716	0.8
255.03267	1.6
271.02548	4.9
300.02652	6.8
301.03705	3.4
331.17740	2.2
359.09872	15.4
360.10330	1.9
373.22385	22.7
374.22906	3.6
405.20291	0.8
445.21069	1.4
461.14987	3.7
463.21878	10.5
464.22800	2.2
487.25491	1.0
505.10117	2.3
505.14136	4.2
505.26901	100.0
506.27393	17.4
510.61511	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22753	0.7
55.01766	4.3
57.03319	4.2
58.00466	2.6
58.47099	0.7
59.01253	92.8
60.01598	1.5
68.99711	1.1
69.03339	1.7
71.01254	75.9
71.52280	1.2
71.80036	0.9
72.01595	1.7
72.99182	14.9
73.02820	40.3
74.03175	1.0
75.00761	2.1
78.35822	0.7
81.03333	1.1
83.01257	10.6
83.01727	1.0
83.56307	0.8
85.02826	29.8
86.00021	1.9
87.00774	3.2
89.02320	34.7
90.02654	0.9
95.01283	4.5
97.02859	2.7
99.00761	77.1
100.01073	1.8
101.02324	44.0
102.02686	1.4
109.02860	0.8
111.00790	2.5
112.01604	1.0
113.02335	31.8
119.03443	3.7
119.04963	2.7
122.03554	1.1
123.04398	4.8
125.02348	5.5
131.03397	10.4
133.02882	1.1
134.03667	1.6
135.04420	5.9
137.02390	2.3
143.03442	3.8
145.02937	3.2
149.04462	22.3
150.04865	1.0
151.00319	1.6
151.03975	1.3
153.70009	0.9
155.03456	3.0
159.02953	3.1
160.01657	3.1
161.04466	22.4
163.04016	3.1
175.03979	3.7
179.03381	7.7
191.05539	25.8
195.06868	0.8
197.04492	14.8
197.06158	1.0
203.03731	1.6
203.05539	12.0
233.06718	3.2
248.22716	0.8
255.03267	1.6
271.02548	4.9
300.02652	6.8
301.03705	3.4
331.17740	2.2
359.09872	15.4
360.10330	1.9
373.22385	22.7
374.22906	3.6
405.20291	0.8
445.21069	1.4
461.14987	3.7
463.21878	10.5
464.22800	2.2
487.25491	1.0
505.10117	2.3
505.14136	4.2
505.26901	100.0
506.27393	17.4
510.61511	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.8
64.49636	0.4
70.37856	1.0
70.38197	0.7
70.82195	0.4
71.55923	0.4
75.72621	0.4
78.95779	17.3
84.91804	0.4
96.96858	1.6
131.56892	0.4
152.99492	28.1
153.99721	0.5
155.43973	0.4
171.00551	2.1
171.24431	0.4
222.16231	0.4
227.03238	4.8
233.22879	0.7
245.04245	2.1
259.20633	0.7
275.20026	0.5
277.21732	100.0
278.22052	11.7
411.56989	0.5
413.20407	0.6
482.37836	0.5
505.25739	42.9
506.26071	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	505.2574
Annotation	Amoritin
Peak:m/z	Relative Intensity
54.05518	0.5
59.01247	1.6
62.47053	0.5
69.40229	3.0
70.69722	0.4
78.95779	27.6
93.61292	0.5
96.96854	2.8
98.20476	1.0
98.48287	0.5
150.97923	0.7
152.99490	40.4
153.99828	0.5
167.08168	0.4
171.00545	3.2
227.03185	5.6
234.04979	0.5
245.04327	1.7
264.98975	0.4
277.21716	100.0
278.22067	11.6
316.88055	0.5
413.21072	1.2
505.25729	63.8
506.19290	0.9
506.26102	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	505.2654
Annotation	Foliasalacioside E3
Peak:m/z	Relative Intensity
55.01762	6.3
57.03324	4.0
58.00457	1.7
59.01249	45.6
60.01587	0.8
63.63278	0.4
67.01770	0.5
69.03320	1.1
69.24191	0.7
69.24603	3.2
69.59410	0.4
71.01252	63.6
72.01580	1.1
72.99180	4.1
73.02818	27.7
74.03159	0.7
75.00743	0.8
77.77157	0.4
83.01260	10.8
85.02821	31.6
85.99973	2.0
86.03165	0.8
86.11671	0.5
87.00748	2.7
89.02316	16.5
90.02712	0.5
95.01266	5.8
97.02831	1.5
99.00756	21.6
101.02322	47.7
102.02654	1.2
111.00764	1.9
112.01537	1.0
113.02332	26.6
114.02651	0.5
119.03380	1.8
119.04910	1.7
123.04340	0.6
125.02335	1.5
129.01813	1.4
131.03413	2.8
135.04399	0.8
141.01831	0.6
143.03372	2.1
145.02841	1.3
149.04465	2.3
159.02888	5.4
160.01581	0.9
161.04472	17.4
161.05836	1.1
163.03957	1.6
175.03941	1.6
179.03358	1.1
191.05450	2.6
197.04420	2.2
203.05551	0.7
248.03189	0.5
300.02707	1.7
301.03445	0.9
359.09811	1.1
373.22311	27.8
374.22623	3.8
417.21246	1.0
427.26685	0.4
448.16293	0.4
505.26575	100.0
506.26910	18.5
506.32706	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2656
Annotation	Foliasalacioside E3
Peak:m/z	Relative Intensity
51.02829	0.6
55.01760	3.2
57.03318	2.5
58.00465	1.3
59.01250	27.7
61.98711	1.2
66.80326	0.5
66.87835	0.7
67.26469	0.6
69.03316	0.8
71.01253	42.9
72.99188	1.8
73.02816	18.2
74.02354	0.9
75.00740	1.3
83.01264	7.9
85.02821	22.0
85.99947	1.0
86.03197	0.7
86.79553	0.5
87.00768	2.6
89.02316	10.7
93.03333	1.4
95.01266	4.5
98.20585	1.0
99.00766	11.9
101.02320	32.2
109.02763	0.7
111.00754	2.2
113.02330	20.6
117.87876	0.6
119.03409	2.0
119.04939	0.9
125.02316	1.1
129.01859	1.2
137.02348	3.3
143.03395	1.8
149.04492	0.7
159.02910	3.5
161.02367	0.6
161.04463	12.6
162.04764	0.7
163.03940	0.8
179.03506	1.4
211.13466	0.7
225.37653	0.7
355.21436	1.0
373.22296	31.3
374.22641	3.4
379.16440	0.7
417.21664	0.7
487.33517	0.7
504.34561	1.6
505.26669	100.0
505.33371	5.1
506.26923	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	505.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	2.8
56.85518	0.5
57.03325	2.0
58.00467	1.2
59.01252	28.5
59.31199	0.6
61.98702	1.2
69.03316	0.9
71.01254	40.2
71.52445	0.7
72.01593	1.1
72.99187	1.6
73.02819	18.4
74.02409	0.5
74.37494	0.5
75.00760	1.1
81.03307	0.5
83.01255	6.6
84.02045	0.5
85.02824	20.5
85.99975	1.3
86.03127	0.7
87.00755	2.1
89.02317	11.5
91.90870	0.5
93.03333	0.9
95.01246	3.8
97.02848	0.9
98.69915	0.5
99.00754	12.0
101.02322	32.0
104.61459	0.5
110.96944	0.4
111.00773	1.7
113.01529	0.8
113.02328	16.4
117.03412	0.5
119.03382	2.1
119.04899	1.1
125.02354	1.7
129.01823	1.3
131.03435	1.2
135.04445	0.8
137.02339	2.2
143.03429	1.3
145.02826	0.6
153.11411	0.5
159.02936	3.1
161.04463	14.1
163.03946	0.8
164.54591	0.5
179.03406	1.1
179.05644	0.7
201.34198	0.5
211.13510	0.6
245.65079	0.5
355.21274	1.2
373.22302	31.9
374.22647	4.4
405.26672	0.6
417.21481	1.6
445.24765	0.6
486.33038	0.6
487.33450	0.8
504.34262	1.8
505.26709	100.0
506.26917	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	506.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	0.1
56.70106	0.2
58.00470	0.2
58.35429	0.1
59.01251	6.0
59.53223	0.2
61.98703	100.0
62.98418	0.3
71.01260	2.9
71.52146	0.2
72.99168	0.3
73.02827	0.5
75.00753	0.3
77.65165	0.2
83.01273	0.5
85.02827	0.9
87.00779	0.3
88.51180	0.2
89.02312	1.5
90.99940	0.2
93.03368	0.3
95.01302	0.2
99.00788	0.6
101.02326	2.0
107.04916	0.5
111.00763	0.4
113.02314	1.3
117.03327	0.4
119.03385	0.4
119.04906	0.9
123.04463	0.2
125.02376	0.3
133.02878	0.3
134.03668	0.2
135.04471	0.3
137.02420	0.4
139.00311	0.2
145.02869	2.5
145.03920	0.2
146.74030	0.2
149.06003	1.2
152.01076	0.3
153.01936	0.2
155.10754	0.2
160.01602	0.3
161.02361	0.7
161.04509	0.3
163.03931	0.8
167.03444	0.4
171.10327	0.3
175.02542	0.2
175.03981	0.5
179.03485	0.4
183.10225	0.3
193.05057	0.3
227.64441	0.2
235.06107	0.4
242.02084	0.2
243.03290	0.2
253.13762	0.2
265.07187	0.2
268.72809	0.2
271.02542	0.5
287.06046	0.2
293.08725	0.2
301.03491	0.2
327.21698	0.3
330.07376	0.2
331.04575	0.8
344.05405	0.3
387.37445	0.2
411.28986	0.2
443.15524	0.2
447.26361	0.3
465.23718	0.3
489.27087	0.4
501.81201	0.2
506.15390	0.3
506.27118	1.2
507.11691	0.3
507.22348	0.6
507.28381	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	507.1505
Annotation	6'-O-(p-Coumaroyl)-procumbide
Peak:m/z	Relative Intensity
55.01747	0.6
57.03321	1.0
59.01253	6.4
69.03331	1.3
69.50205	3.2
71.01253	5.4
71.17381	0.5
72.99183	1.0
73.02828	0.9
75.00755	1.4
81.03341	0.6
83.01247	1.1
85.02814	4.3
87.00774	1.1
89.02301	2.5
93.03345	1.3
95.01276	0.8
95.48527	0.5
97.02818	3.4
99.00756	1.0
101.02335	3.0
107.01310	0.8
107.04903	1.3
109.02831	1.4
111.04456	0.6
113.02320	2.5
117.03342	28.7
118.03718	1.7
119.04912	14.0
121.02846	1.5
121.06506	0.8
123.04401	2.9
125.02332	2.8
125.05966	1.1
131.04922	0.7
133.02834	3.7
133.06503	1.1
134.03648	0.6
135.04416	8.3
137.02351	2.2
139.00276	1.2
145.02852	100.0
146.03201	5.2
149.02373	0.6
149.05933	1.2
151.00247	2.6
151.03902	2.3
153.05443	0.9
161.02354	9.6
161.04617	0.9
161.05983	3.6
163.03915	17.3
164.04272	1.6
165.05473	1.6
169.05003	1.3
172.84183	0.6
175.03845	0.8
177.01872	1.1
177.05481	4.7
178.99811	1.5
179.03421	8.8
181.04953	2.9
187.03893	0.6
194.99399	0.6
199.06061	3.8
203.03386	0.6
205.04980	6.3
221.04477	4.6
224.80363	0.6
231.03078	0.7
235.06053	3.3
251.05577	4.8
259.02405	1.0
265.07187	7.9
266.07507	0.7
281.06659	8.8
282.06985	1.1
285.03976	1.5
286.04404	0.5
287.01996	1.0
301.03513	1.4
303.01620	0.9
307.08289	4.7
325.09256	0.9
328.85443	0.5
331.00870	2.3
331.04697	1.5
332.01178	0.7
341.08780	5.0
346.38193	0.6
392.20468	0.6
444.70932	0.5
489.14111	0.7
507.14972	44.3
508.15234	8.1
508.21371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01212	2.1
57.03317	3.9
59.01251	56.7
61.98699	7.2
69.42787	9.7
69.43200	5.0
71.01250	50.3
72.99174	8.1
73.02808	9.5
75.00345	2.9
75.00749	22.3
83.01252	7.4
85.02824	24.4
87.00742	5.9
89.02315	19.9
95.01242	5.7
95.03661	2.4
97.02780	2.6
99.00743	4.6
101.02322	33.5
113.02330	20.3
119.03378	9.9
119.04884	2.1
121.02863	3.2
123.74621	1.9
124.03919	6.8
124.07593	2.5
132.04456	25.1
133.02818	2.6
133.05252	12.0
134.05951	3.9
135.04405	4.4
145.02832	4.5
149.04401	3.6
161.02315	5.7
161.04457	6.0
163.03922	3.8
165.01981	2.6
165.04219	18.7
168.02831	2.3
179.03447	2.6
181.04988	2.5
186.09122	2.8
193.51689	2.3
209.03294	3.3
214.12297	4.3
215.11856	4.3
219.42012	2.2
240.10136	2.4
241.09650	2.4
248.26082	2.1
257.12903	18.1
262.89752	2.7
283.10803	9.9
283.87646	2.1
301.11899	8.4
345.10870	100.0
345.15469	96.3
346.11172	12.5
346.15887	10.3
369.15399	4.4
388.35114	2.6
507.21161	50.6
508.21234	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45412	0.5
55.01748	1.0
57.03303	1.6
58.00451	0.5
59.01253	21.6
61.98697	0.7
68.99652	0.8
69.03309	0.6
69.30737	2.0
69.31165	2.3
69.48256	0.4
71.01257	11.5
72.99143	0.8
73.02811	4.0
82.06627	0.5
83.01265	2.6
83.04860	0.6
85.02816	6.1
87.00743	1.5
89.02315	4.9
90.98476	0.5
93.02778	1.1
93.03338	18.1
95.01244	2.0
96.99227	0.7
97.06448	0.7
99.00755	2.1
101.02309	6.5
108.02056	1.2
111.00736	1.0
113.02330	4.2
121.02802	1.4
123.08025	2.6
125.02322	0.9
136.01582	2.3
137.02344	46.4
137.09615	1.3
138.02647	2.2
144.65396	0.5
145.02795	1.2
149.02260	0.5
161.04446	0.9
163.03844	1.0
163.11249	2.8
165.12772	0.6
179.03333	2.0
183.13843	0.7
189.12805	3.5
191.03401	0.6
195.13777	1.1
207.13788	1.9
213.14919	17.5
214.15179	1.2
221.04539	0.9
239.05466	0.7
264.81885	0.5
281.06747	2.7
289.39468	0.6
357.19153	1.5
375.20218	25.3
376.20581	2.9
447.26053	2.4
507.22873	100.0
508.23215	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	507.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16520	0.8
57.03323	1.2
58.00452	1.6
59.01252	17.6
59.09595	0.8
61.68027	0.8
61.98719	4.1
69.03308	2.0
71.01254	13.8
72.99168	4.0
73.02811	7.6
75.00744	72.4
76.01068	1.0
78.95773	2.3
80.94665	0.8
82.87598	0.9
83.01255	1.0
85.02807	3.3
89.02322	2.8
89.10665	0.8
93.03310	1.3
95.01275	1.1
96.95892	1.1
97.77652	0.8
99.00742	1.1
101.02338	5.5
103.92109	0.9
113.02324	4.4
113.38830	0.8
117.03322	1.0
119.03390	1.4
119.04887	1.7
125.02339	1.2
125.05954	1.5
131.03407	3.0
133.02827	2.9
135.04398	3.9
137.02292	2.1
145.02826	3.2
149.04419	1.2
152.99446	1.3
161.04445	1.0
163.03783	1.0
167.14320	1.1
171.00644	0.9
177.01840	34.1
178.02211	1.6
179.03406	2.1
179.14343	1.3
183.13814	3.9
191.14272	2.8
195.13812	5.5
197.15347	1.7
201.05533	1.2
202.06213	1.2
207.13785	1.8
209.15378	4.5
211.13202	0.8
213.14880	24.0
214.15271	1.0
227.16476	9.0
228.16945	1.2
230.09361	1.0
237.14952	6.9
255.15971	8.0
299.09460	0.9
371.14188	1.0
506.34750	2.4
507.24405	100.0
507.30426	5.0
508.24734	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	507.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93641	3.6
59.01253	100.0
61.98716	5.0
71.01253	58.6
72.99182	3.5
73.02824	15.4
74.07898	3.6
74.44775	3.8
78.95724	4.6
81.67246	3.7
83.01260	5.7
85.02831	18.3
89.02322	42.1
90.44066	3.7
94.61918	3.4
95.01271	6.2
98.19749	8.3
99.00757	13.4
101.02316	36.5
111.00724	4.3
113.02321	26.9
117.03415	4.0
119.03375	18.1
119.04913	23.0
125.81457	3.8
131.03415	12.1
135.04443	9.1
140.29886	3.7
143.03412	5.2
145.02864	8.3
148.68611	3.9
149.04433	10.6
152.99384	4.0
161.02348	9.2
161.04454	5.3
163.03925	14.0
179.05518	13.8
191.05602	13.4
205.80293	3.6
230.09399	4.2
233.06665	12.1
233.08812	4.0
235.24782	3.9
239.14850	3.6
447.21924	18.6
450.81619	3.9
507.18964	6.3
507.31677	16.9
508.31824	5.5
517.29797	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17958	0.3
52.13843	0.3
55.01723	1.3
55.80333	0.3
57.03293	1.3
58.00456	0.6
59.01253	25.9
61.02430	0.4
61.98693	0.7
68.99674	0.5
69.03322	0.4
69.49947	1.9
69.50361	0.7
71.01257	13.0
71.31647	0.3
72.99174	2.0
73.02457	0.5
73.02817	6.3
75.00711	0.7
83.01265	2.2
85.02372	0.4
85.02832	6.7
87.00739	1.9
89.02303	3.2
93.03339	5.2
95.01219	1.5
97.02812	0.9
98.20531	0.7
99.00772	3.7
101.01717	0.5
101.02330	7.8
108.90456	0.4
111.00716	1.3
112.01534	0.7
113.02337	3.9
119.02595	0.4
119.03394	0.8
119.04874	0.6
121.02810	0.5
123.08074	0.4
124.01678	0.3
125.02310	1.4
125.37526	0.3
135.04372	0.4
136.01491	0.7
137.02354	11.9
137.09648	0.5
137.76054	0.3
138.02686	0.7
145.02827	0.6
145.37617	0.4
161.04480	0.8
163.11168	0.5
179.03416	0.8
183.13800	1.5
189.12762	0.7
195.13821	1.6
213.14909	31.9
214.15234	2.3
227.12946	0.5
255.16049	0.6
281.06436	0.4
334.37061	0.4
357.19226	3.0
358.19644	0.3
375.20239	48.8
376.20605	5.3
447.26077	3.2
448.26447	0.6
465.27017	0.5
507.24341	100.0
508.24661	14.4
529.03516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26838	0.4
55.01752	1.0
57.03297	0.5
57.06216	0.5
58.00448	1.4
59.01252	44.0
60.01574	0.7
61.98695	2.7
62.77149	0.5
69.27903	0.5
69.34002	1.5
69.34418	2.2
71.01258	19.7
72.99168	2.1
73.02825	8.1
83.01256	1.4
85.02347	0.8
85.02821	7.3
87.00747	1.1
89.02320	14.4
90.02715	0.4
95.01283	2.1
98.20561	0.6
99.00758	27.4
100.01064	0.8
101.01708	0.7
101.02332	10.5
113.02335	11.5
115.03847	0.7
117.03360	1.6
119.03410	3.1
119.04888	1.9
124.03916	0.5
125.02380	0.7
125.65704	0.4
131.03392	1.6
135.04431	2.4
137.02313	0.5
145.02864	4.8
149.04437	1.4
160.42964	0.5
161.02362	1.5
161.04454	1.8
163.03960	2.1
179.07085	0.6
183.13762	1.1
189.62306	0.5
191.05484	2.3
195.13837	8.5
196.14125	0.5
213.14891	5.4
214.15240	0.5
245.66243	0.4
273.71301	0.5
357.19043	0.9
361.14877	0.6
375.20221	13.2
376.20648	1.7
387.23807	0.6
405.24808	1.3
413.90033	0.6
447.26117	1.6
465.27356	0.7
482.23782	0.5
489.23575	0.6
507.24423	100.0
508.17551	0.9
508.24734	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	507.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.0
68.71453	0.3
69.40516	2.4
78.95779	13.0
96.96847	1.2
98.19803	0.7
127.41856	0.3
150.97943	0.7
152.99498	20.0
153.99878	0.4
171.00575	1.5
227.03204	3.0
241.44194	0.3
245.04388	1.9
279.23288	100.0
280.23624	10.2
507.27283	36.6
508.27652	5.3
508.34726	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.3
56.34716	0.4
57.03312	0.9
58.00467	0.8
59.01253	42.8
61.52130	0.4
61.98701	1.0
65.00204	0.8
71.01252	11.0
71.52528	0.6
72.01553	0.5
72.99173	1.2
73.02826	4.9
75.00746	0.8
79.97733	0.4
83.01252	3.2
83.04896	0.5
85.02345	0.7
85.02820	6.4
85.99954	0.9
86.06883	0.4
87.00745	1.0
89.02313	2.1
95.01258	1.3
95.23716	0.4
97.02819	0.5
99.00745	2.2
101.01712	0.6
101.02326	10.3
107.01282	0.9
107.04922	3.3
109.02844	0.7
109.06469	1.6
111.00759	3.5
111.08035	0.9
113.02327	6.8
118.63838	0.5
119.03394	0.9
125.02328	1.8
125.95177	0.4
129.01843	0.6
133.02835	1.3
135.04395	1.0
137.02354	1.2
139.00267	3.7
139.07542	1.7
140.01057	2.9
145.02867	0.9
147.04353	0.5
151.00291	2.6
152.00917	0.5
153.01859	1.0
153.09077	0.4
159.02942	0.5
161.02357	1.4
161.04456	1.6
163.00275	1.2
163.03821	0.6
165.01932	0.5
165.98923	0.5
175.02495	0.7
175.03941	1.0
177.01854	0.6
178.99774	1.9
179.03424	0.6
181.01311	2.1
182.02002	0.6
183.10187	2.1
199.03966	0.5
201.01828	0.7
206.99110	0.5
216.04155	0.7
217.01338	0.5
217.19466	0.5
227.03448	1.0
231.02864	0.5
234.07288	0.4
242.02168	1.7
243.02919	1.7
245.04572	0.9
249.18509	0.7
255.02972	0.7
258.01636	1.4
259.02536	0.6
270.01678	0.7
271.02545	2.9
272.03262	1.1
273.03894	0.7
285.04144	2.1
286.01224	0.8
287.02042	0.8
287.05255	0.8
289.16672	0.8
299.02069	2.0
301.03577	1.4
303.05145	1.9
313.03650	0.9
316.02228	2.0
327.21692	0.7
331.04611	12.5
332.05106	3.3
344.05380	1.4
411.23846	0.9
423.92975	0.4
447.26135	5.2
448.26465	0.8
489.27084	3.9
507.28082	100.0
508.12469	0.6
508.28464	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	507.281
Annotation	Foliasalacioside H
Peak:m/z	Relative Intensity
55.01754	1.6
57.03314	1.9
58.00452	1.2
59.01251	54.6
61.98704	8.8
66.57130	0.5
69.03330	0.6
71.00896	1.0
71.01254	14.0
71.17531	0.6
72.01602	0.6
72.99192	1.4
73.02819	8.2
75.00738	1.3
83.01265	3.8
85.02822	8.9
87.00745	1.3
89.02307	4.3
95.01274	1.6
98.20553	1.3
99.00741	2.1
101.02323	15.7
102.02649	0.6
107.01265	0.6
107.04922	5.4
107.93593	0.6
107.94283	0.7
109.06467	1.7
111.00789	4.1
111.08031	0.9
113.02335	8.1
119.03417	1.4
123.04398	0.6
125.02308	1.4
125.09602	0.7
125.92709	0.6
133.02844	1.5
135.04425	2.2
137.02295	0.9
139.00269	2.5
139.07545	2.5
140.01044	1.2
145.02824	1.1
151.00291	1.8
159.02892	0.8
160.01546	1.0
161.02347	3.5
161.04483	1.4
167.03375	1.1
169.19753	0.6
174.62822	0.6
175.03835	1.3
178.99811	0.7
179.03358	1.7
181.01331	1.2
183.10170	3.3
214.96570	0.5
235.06210	0.6
241.01425	1.0
243.02959	1.0
258.01593	1.1
271.02487	1.0
273.04224	1.0
275.05444	0.7
276.42029	0.6
281.06485	0.8
285.03891	1.2
287.05423	0.6
294.00424	0.6
294.89651	0.6
299.01950	0.7
301.03574	1.3
303.05325	1.1
331.04532	7.1
332.05130	1.0
338.45984	0.6
344.05634	0.8
345.23120	0.6
346.07895	0.6
391.67642	0.7
411.23788	1.3
425.32233	0.6
447.26108	4.0
448.26343	0.6
489.26938	4.3
490.27225	0.9
507.12799	3.1
507.28094	100.0
508.28461	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	507.2811
Annotation	Foliasalacioside H
Peak:m/z	Relative Intensity
55.01762	0.7
57.03321	1.3
59.01251	97.2
60.01587	1.8
61.98708	6.6
69.03339	0.6
71.01254	21.0
71.04922	0.7
72.01582	0.6
72.99174	1.8
73.02823	5.8
75.00732	1.2
82.47784	0.5
83.01248	3.9
85.02834	8.7
85.03306	1.0
85.99982	0.9
87.00761	1.6
87.75126	0.5
89.02323	4.7
89.75962	0.5
93.03356	0.8
95.01293	1.8
97.02825	1.0
98.20543	1.3
99.00768	2.5
101.02316	13.8
107.04890	0.6
108.02015	0.6
111.00780	1.4
113.02330	7.1
113.02969	0.7
117.03352	1.7
119.03407	1.2
119.04895	3.1
120.05309	0.5
125.02355	1.3
129.09103	0.7
133.02869	1.0
135.04492	1.0
137.02357	2.9
143.03458	0.5
145.02846	5.5
151.03981	0.6
152.01125	0.6
155.36345	0.5
159.02864	0.8
161.02431	1.2
161.04485	3.3
163.03941	2.7
171.10257	1.0
177.01865	0.8
179.03424	1.5
179.05701	0.5
209.11803	1.5
243.19684	1.6
306.08389	0.7
309.20709	0.6
323.41000	0.5
327.21878	0.8
335.65384	0.6
345.22662	1.1
387.24033	0.9
405.24994	1.9
429.24652	0.6
434.19846	0.8
447.26239	4.7
448.26132	0.7
465.27161	3.6
469.06760	1.3
471.06711	0.8
489.27032	4.3
507.28180	100.0
508.28525	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	507.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	3.6
57.03331	3.0
58.00463	1.2
59.01252	24.3
60.01574	0.4
61.98703	0.5
67.01775	0.4
69.03333	0.9
69.22237	3.1
71.01254	49.8
72.01588	0.7
72.99181	2.4
73.02821	15.1
75.00758	1.5
78.95800	0.5
83.01260	6.9
83.01724	0.6
84.02041	0.5
85.02824	25.4
85.99982	0.6
86.03136	0.6
87.00758	2.4
89.02316	9.3
90.39361	0.3
95.01266	5.4
97.02843	1.3
99.00758	6.2
101.02323	32.4
102.02666	0.3
111.00761	3.3
113.02335	20.5
114.02714	0.5
116.73818	0.3
119.03400	2.9
125.02383	0.9
129.01813	1.3
131.03426	0.6
141.01820	0.4
143.03452	2.0
152.99361	0.3
159.02859	4.2
160.01553	0.3
161.04468	17.0
162.04845	0.5
171.13867	0.4
185.02177	0.4
187.03929	0.3
201.05382	0.5
202.06380	0.4
205.03529	0.6
229.08716	1.2
230.09433	1.1
299.25879	1.6
304.41290	0.3
345.30115	7.5
346.30484	1.4
396.19403	0.4
410.16031	0.3
475.81195	0.3
507.35416	100.0
508.23615	0.7
508.35733	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	507.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.8
57.03325	4.0
58.00464	1.2
59.01253	23.4
61.98695	1.0
68.99716	0.5
69.03309	0.7
69.22039	2.3
69.22449	0.6
71.01254	54.3
72.01596	1.2
72.99194	1.7
73.02821	16.1
75.00748	0.8
78.95788	1.5
81.03347	0.3
83.01258	7.4
83.04928	0.4
84.01603	0.3
84.02065	0.5
85.02824	28.4
85.25196	0.3
86.00000	0.9
86.03178	0.6
87.00755	2.6
89.02318	9.3
93.03340	0.6
95.01266	4.0
95.95167	0.3
97.02824	0.8
99.00761	6.5
101.02326	31.9
102.02676	0.7
107.04910	0.3
111.00761	3.0
113.02335	20.7
119.03382	3.2
121.28490	0.3
123.04425	0.3
125.02343	1.0
129.01848	0.9
131.03397	0.5
132.02094	0.4
134.03671	0.3
137.02350	1.1
141.01863	0.5
141.59697	0.3
143.03418	2.1
145.02858	0.5
147.19745	0.3
152.99506	1.1
159.02893	5.1
159.04089	0.5
160.00395	0.3
160.01530	1.5
161.04466	18.6
162.04785	0.7
171.10248	0.4
175.03925	1.2
179.05617	0.7
185.15419	0.7
185.59746	0.3
205.03465	0.9
211.13327	1.9
213.18559	0.5
229.08667	0.6
230.09506	0.6
279.00485	0.3
299.25864	1.3
345.15524	0.4
345.30078	8.1
346.30557	0.8
403.32288	0.3
447.22195	0.3
499.14948	0.3
507.35410	100.0
508.23517	0.7
508.35767	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	509.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	20.6
69.47198	54.5
71.01254	100.0
72.98542	8.2
72.99188	37.2
84.70548	7.7
87.00751	33.1
96.95917	15.6
98.20557	12.3
115.00259	22.7
129.01825	14.8
142.26505	8.5
147.02904	65.3
175.38118	7.4
192.00969	6.7
215.24692	7.9
227.44232	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	509.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	4.3
57.03305	4.0
58.00466	3.0
59.01252	54.6
69.03338	4.7
69.79181	2.2
69.79459	11.2
71.01255	69.1
72.99175	4.3
73.01205	2.0
73.02831	26.7
75.00739	10.3
80.83252	2.1
83.01234	10.4
83.04866	2.8
85.02349	2.9
85.02825	36.1
87.00768	11.7
89.02321	33.9
95.01251	7.8
98.20570	2.8
99.00761	59.0
101.02322	41.1
109.02815	9.7
111.00749	6.6
113.01619	3.5
113.02335	38.2
114.02648	2.2
119.03385	4.5
123.04411	2.8
128.68837	2.1
129.01791	2.6
131.03352	3.8
135.08047	3.0
137.02336	4.1
143.03453	2.4
149.04428	9.4
153.09087	4.8
157.91499	2.5
159.02893	6.1
161.04454	16.8
169.91333	2.0
191.05495	11.0
201.64151	2.2
215.01839	2.4
217.10657	3.9
285.04150	2.5
287.78638	2.3
347.20740	16.6
447.09222	4.9
491.17349	3.9
505.84680	2.4
509.18771	24.3
509.25955	100.0
510.19345	4.8
510.26297	13.2
518.77441	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	509.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	3.2
57.03325	4.2
59.01253	41.2
61.98700	35.2
67.89861	1.8
69.42158	13.0
71.01252	38.3
72.99183	8.3
73.02825	10.7
75.00746	35.7
83.01259	5.0
85.02832	24.4
87.00756	7.4
87.24055	2.0
89.02317	20.3
95.01274	5.5
97.02840	3.4
99.00748	8.5
101.02321	26.9
108.02055	3.5
113.02342	21.6
117.03316	3.8
119.03378	8.1
119.04907	8.8
121.02867	2.2
121.06483	3.4
122.03622	5.0
123.00782	2.5
123.04367	6.9
125.02384	2.4
131.03328	3.0
133.02917	2.1
135.04425	4.9
136.01598	2.5
137.02296	2.4
138.06578	2.0
143.03365	2.4
145.02846	12.2
149.04492	3.5
151.03867	2.3
153.05489	5.9
161.02415	10.8
161.04489	7.0
161.05937	3.7
163.03938	7.8
164.03340	2.7
165.05527	5.0
167.03410	3.4
169.12282	5.1
179.03429	3.8
179.05544	4.9
181.05029	3.9
183.06544	5.9
183.10100	2.3
185.11819	3.9
197.11786	5.0
209.18073	2.1
221.06459	2.1
224.52408	2.0
229.14375	5.9
265.07117	4.7
265.32581	2.0
269.54694	2.1
343.12488	3.3
347.17255	12.8
363.12851	5.9
373.78168	2.0
449.24017	2.8
477.19736	6.5
509.16547	7.2
509.22495	100.0
510.16315	3.3
510.22864	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	509.2519
Annotation	Applanoxidic acid F
Peak:m/z	Relative Intensity
55.01753	0.9
57.03339	0.8
59.01251	5.1
61.71540	0.7
61.98701	13.0
67.00398	0.8
69.03320	2.6
70.90170	1.9
71.01254	5.0
73.02795	0.8
75.01704	0.8
76.04287	0.9
78.95774	36.3
79.95614	0.9
80.96398	4.9
83.04874	2.1
84.02025	3.4
85.02808	2.4
94.97955	1.0
97.05885	1.1
97.06465	14.8
99.04388	1.7
101.02289	2.1
104.97336	1.4
107.04906	30.4
108.05251	1.7
110.97643	1.3
110.98415	26.6
113.02302	1.8
123.04414	1.0
125.09601	2.4
135.04381	1.0
137.09633	1.5
151.03897	10.3
152.99521	2.0
153.09109	0.8
161.04442	1.4
163.11192	0.8
164.98517	0.8
165.12752	1.5
167.01048	25.5
167.02461	1.4
171.10175	18.9
172.10518	1.1
175.11028	0.9
183.13783	4.0
185.02127	7.2
185.11717	1.1
193.12268	20.7
194.12488	1.5
195.13806	3.0
197.11880	1.0
209.11755	3.7
211.13306	5.0
213.14914	28.8
214.15222	2.2
221.11722	2.4
225.00658	1.6
225.11382	1.7
225.14912	26.6
226.15204	3.5
227.12921	1.1
243.16020	12.1
244.16234	0.9
250.89317	0.8
253.14452	1.4
329.06534	0.9
341.23297	88.0
342.23605	11.1
433.96667	0.9
509.17010	6.6
509.25089	100.0
510.25421	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	509.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	3.1
55.85998	0.5
57.03325	2.7
58.00445	1.4
59.01254	25.7
61.98683	0.7
68.99685	0.5
69.03337	1.1
69.21169	5.1
71.01254	34.4
72.01584	0.7
72.98207	0.6
72.99184	3.1
73.02817	11.1
75.00732	2.5
83.01253	6.9
85.02827	16.7
85.99964	1.0
87.00761	4.7
89.02316	12.1
93.03322	0.9
93.84138	0.5
95.01243	2.7
97.02838	1.3
98.62423	0.6
99.00761	10.1
99.04357	0.5
101.02325	26.1
102.20957	0.5
108.02025	1.4
109.02824	2.0
111.00760	6.4
113.02330	16.0
115.00266	0.5
119.03403	2.8
119.04961	1.3
123.04377	0.7
125.02360	1.2
127.52503	0.5
129.01842	1.6
131.03406	1.4
133.02812	0.6
137.02341	1.6
141.01854	0.8
143.03410	1.2
145.02864	2.3
149.04454	1.9
152.01079	1.3
159.02921	3.1
161.02367	0.9
161.04440	6.0
178.99780	0.6
179.03358	1.0
179.05475	0.6
183.06592	0.8
191.05586	1.6
284.03470	0.7
285.03848	1.0
285.12613	0.6
305.14685	0.6
347.16977	1.0
347.20773	13.1
348.21167	1.3
357.08041	0.8
447.09210	0.9
509.19824	3.7
509.26013	100.0
510.19382	1.2
510.26440	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	509.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34487	1.0
55.01751	1.4
59.01241	4.4
65.03833	1.4
70.42552	1.9
70.42910	2.9
71.01252	3.7
73.02810	1.3
78.95778	17.7
79.43354	0.9
80.02548	3.0
81.03323	5.3
83.04891	10.7
84.02024	3.0
93.03345	3.5
95.04914	2.3
95.43719	1.0
97.02837	5.0
97.06484	3.5
109.02892	1.8
109.06487	16.1
110.03630	1.3
110.06821	1.1
110.98412	11.2
111.04424	7.1
113.05968	1.4
121.06525	1.5
123.08024	1.6
124.58900	1.4
125.06001	1.6
125.09637	6.3
127.11164	1.9
135.08054	4.2
136.05190	1.3
136.99982	1.0
137.09599	1.1
142.02657	1.7
161.09660	2.1
163.11212	15.2
165.12793	3.3
166.00340	3.0
167.01068	7.8
168.88284	1.1
171.07980	1.7
171.10188	44.2
171.11659	2.3
172.10571	3.0
181.12242	3.8
185.02122	2.8
185.11758	9.0
191.10706	2.1
197.11754	1.6
199.09743	11.3
201.11357	5.0
207.10216	45.5
207.12187	2.2
208.10574	3.9
209.11777	100.0
210.12065	7.6
217.12425	1.6
221.11848	2.5
223.13361	3.7
225.11285	23.2
226.11687	1.7
227.12895	12.9
228.13206	1.4
231.10229	2.5
235.13480	1.3
237.11305	2.1
245.11809	2.7
247.13376	3.2
249.11279	2.5
263.12900	5.0
274.75430	1.1
281.14029	6.7
281.16913	1.3
295.22781	3.9
299.15091	5.9
305.14001	1.5
319.15479	2.0
323.15207	2.0
337.16653	3.2
339.12152	4.6
367.11536	1.1
373.24127	2.4
399.21918	4.4
405.85120	1.3
447.23892	1.2
465.24966	4.7
473.25623	12.3
474.26068	1.5
491.26358	14.0
492.26575	2.9
509.27594	45.2
510.28088	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	509.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56073	0.5
54.34753	0.5
61.43470	0.5
62.96945	0.4
73.39936	0.4
78.95776	17.1
96.96844	1.1
117.67044	0.5
121.39893	0.5
152.99486	32.4
171.00540	1.6
175.46017	0.5
199.64232	0.5
227.03232	5.4
229.58427	0.5
245.04303	1.6
281.24850	100.0
282.25204	11.7
282.28146	1.0
417.24228	1.4
509.28848	61.0
510.29196	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	509.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.4
57.03321	0.5
58.65436	0.3
58.67053	0.3
59.01251	100.0
60.01586	1.7
61.98707	6.5
69.07735	0.3
71.01255	5.4
71.51692	0.5
71.52355	0.3
72.99197	0.9
73.02823	2.9
75.00751	1.1
78.95786	0.7
80.96379	0.3
83.01260	1.0
83.04909	0.4
85.02820	2.4
87.00774	1.2
89.02319	2.2
93.03332	0.3
95.01270	0.4
99.00774	1.3
101.02322	3.6
102.02645	0.3
109.02846	0.6
109.06443	0.3
113.02334	2.5
117.03333	2.4
119.03406	0.5
119.04925	2.8
119.89529	0.4
123.04399	0.4
133.02856	0.6
135.04475	0.6
137.02350	1.6
143.03424	0.3
145.02856	8.5
146.03290	0.5
153.01782	0.4
153.05460	0.5
155.10770	0.3
159.02823	0.4
161.02409	1.7
161.04480	1.0
161.05954	0.7
163.03911	2.6
178.95262	0.3
179.03481	0.5
179.05583	0.4
185.23068	0.3
189.33049	0.3
205.05054	0.6
209.11595	0.3
213.14880	2.7
214.15326	1.0
215.15582	0.8
239.11819	0.6
265.07190	0.8
305.46579	0.3
363.16574	3.4
364.16779	0.4
375.20303	0.9
376.20593	0.8
377.20755	3.0
389.25543	2.7
407.26437	2.0
449.27530	2.0
509.25516	9.4
510.25717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24820	0.5
55.01750	1.3
57.03319	1.4
58.00467	1.0
59.01250	60.7
60.01580	0.7
61.98691	2.1
67.88818	0.5
71.01255	17.9
72.99173	2.0
73.02817	6.4
74.87878	0.5
75.00743	2.2
78.95824	0.4
83.01257	3.6
85.02816	8.8
87.00746	1.6
89.02309	6.6
93.03329	1.3
95.01263	2.0
97.02837	0.9
99.00755	2.3
101.02320	13.2
111.00799	2.7
113.02336	7.9
114.02679	0.6
119.03443	3.1
119.04916	10.9
121.02853	5.1
129.01772	1.0
133.02875	0.6
135.04443	0.6
137.02321	1.7
143.03423	0.8
145.02863	1.0
151.00237	0.6
152.00932	0.5
157.12210	0.7
159.02890	1.7
160.01614	0.7
161.02283	0.9
161.04466	1.9
163.03905	1.4
175.03877	0.8
179.03409	1.0
179.05502	1.3
181.04890	0.7
187.13376	0.5
209.98643	0.6
217.64087	0.5
240.74789	0.5
259.13654	1.1
287.22174	3.4
329.23282	2.3
347.24286	1.9
449.27646	12.5
450.27740	1.1
491.28540	4.7
508.72775	3.9
509.29620	100.0
510.30032	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	509.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22139	0.3
59.01252	100.0
60.01590	1.1
61.98709	1.0
71.01266	2.6
71.52568	0.5
73.02803	0.6
75.00764	0.3
79.95625	0.5
80.96403	3.5
83.01271	0.5
85.02845	1.2
87.00785	0.4
87.01400	0.3
89.02342	0.7
90.92132	0.3
91.75099	0.3
93.03359	0.3
94.97953	0.7
97.19595	0.3
99.00782	0.4
101.02299	1.4
107.05126	0.3
108.02068	0.5
113.02354	0.9
117.03370	0.9
119.04939	1.0
123.04399	0.8
137.02344	5.8
145.02852	3.2
152.01108	0.4
158.32005	0.3
161.02391	0.6
163.03964	1.2
164.98543	0.8
167.03448	0.5
179.03441	0.4
189.72134	0.3
203.18829	0.3
213.14981	0.5
225.00836	0.5
363.16653	0.5
389.25345	1.4
407.26346	1.4
449.27859	1.3
509.17624	3.7
509.29684	0.5
510.18256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.0
61.98704	100.0
62.98413	0.5
70.38469	0.7
70.38840	0.6
71.01247	1.0
80.27940	0.3
85.02847	0.6
86.59055	0.3
89.02308	0.3
93.23344	0.3
98.20512	0.4
101.02319	0.7
121.02876	0.3
135.04454	0.4
137.02370	0.5
509.36349	1.1
510.36243	0.6
514.60754	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72345	3.1
57.03321	6.7
59.01260	23.5
61.14856	2.9
61.98703	8.8
63.02260	6.9
65.00203	8.1
67.01757	3.3
68.99705	3.9
69.54964	13.0
71.01249	26.2
72.99187	14.0
73.02811	5.1
75.00774	5.4
83.01257	19.3
85.02840	21.7
87.00748	8.0
89.02328	11.9
93.03363	5.3
95.01254	20.0
97.02782	3.6
99.00750	17.4
101.02317	12.7
107.01273	23.5
108.02122	4.5
109.02837	27.8
111.00826	16.6
113.02326	25.6
117.03323	4.3
119.01363	3.7
119.04918	3.6
121.02870	7.3
123.00753	8.5
124.01585	6.0
125.02345	53.2
130.14188	3.1
133.02794	4.6
135.00749	5.4
137.02341	35.6
139.00302	22.5
141.01857	23.7
145.01405	3.7
145.02844	10.3
146.03214	3.6
147.04358	4.8
147.97385	3.2
148.01591	3.9
149.02330	19.1
151.00279	81.3
151.03854	4.6
152.01009	10.0
153.01822	45.8
155.88759	2.9
157.01292	4.1
159.04520	4.4
161.02377	5.9
162.99123	4.4
163.00294	41.3
163.02449	3.3
163.03981	5.3
164.01044	4.4
165.01880	29.3
166.99786	25.8
168.00490	6.0
168.04736	3.2
169.01332	32.5
175.02403	6.9
175.03902	4.5
175.39905	3.2
177.01863	17.1
178.99794	100.0
180.00142	6.4
181.01373	53.6
181.02908	6.0
181.97235	3.4
182.02028	4.5
183.02898	4.3
183.04373	4.2
185.00854	7.4
187.03986	5.6
189.01837	4.4
190.02643	3.4
190.99808	13.1
193.01360	38.4
193.03389	11.1
194.99254	9.3
197.00832	7.0
199.02376	15.3
199.04016	6.1
203.03441	10.2
206.99344	17.9
207.02914	4.8
208.00081	11.0
209.00887	50.5
215.03377	3.8
217.05023	6.5
219.02745	7.9
225.00366	32.2
227.03461	9.4
229.05029	6.2
231.02893	13.7
233.04411	5.6
235.02432	8.2
243.02907	10.5
245.04518	14.2
255.02924	20.1
257.04517	12.4
271.02518	30.3
272.02701	4.0
273.04050	24.3
283.02478	12.7
284.03436	7.5
285.04013	12.9
289.03436	11.4
299.01965	35.9
300.02518	11.0
301.03558	43.0
317.02972	74.0
318.03299	9.7
322.82022	3.6
335.04077	49.5
336.04886	12.2
345.04318	4.7
355.03384	4.1
357.04773	7.4
358.05289	9.7
375.05460	4.0
385.04111	14.8
401.03528	3.5
431.55069	3.9
493.06247	6.1
510.16815	4.6
511.07428	18.3
511.16833	7.1
511.23804	7.4
511.30811	6.8
513.60443	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	511.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	9.1
57.99398	6.2
59.01254	57.0
61.36151	6.3
61.98697	13.8
69.03344	11.1
71.01251	100.0
71.51895	12.0
72.99179	19.3
73.02810	31.2
75.00760	29.2
83.01250	14.3
85.02824	45.7
87.00749	48.7
89.02318	39.3
90.53293	5.8
95.01260	20.2
99.00752	67.0
101.02313	49.6
108.02071	7.1
111.00761	12.6
113.02339	63.0
113.08499	7.0
119.03398	11.8
119.04976	9.7
120.78326	6.5
131.03464	15.2
133.04958	8.2
139.00267	7.5
139.03873	10.2
145.02908	21.6
159.02910	11.3
161.04422	13.1
167.03438	12.5
185.11745	40.3
191.05608	7.8
193.05122	7.0
201.11354	11.0
219.12206	8.3
238.38593	6.5
317.16144	16.1
335.17105	10.7
343.92938	6.5
381.17722	7.4
449.20337	17.9
464.89435	7.8
467.21683	26.5
511.20804	65.3
512.21539	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	511.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10842	0.7
59.01235	1.3
61.98703	7.1
69.34803	6.2
71.01232	1.4
78.95798	1.0
81.03345	0.8
85.02789	1.8
90.55753	0.7
108.02055	47.2
109.02839	72.4
110.03132	2.3
123.00784	1.9
123.04400	1.4
135.04433	0.9
136.05167	1.4
139.03925	1.2
151.03934	1.0
152.01059	35.8
153.01846	46.6
154.02209	1.8
180.04201	1.0
183.13695	0.9
213.14865	3.6
266.45694	0.8
276.62125	0.7
277.51343	0.7
343.24539	2.2
511.21725	100.0
512.21979	18.5
512.29150	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10606	0.2
59.01244	1.5
61.98710	0.6
65.03835	0.4
67.01773	0.4
69.03344	0.5
70.38512	0.7
71.01253	1.9
73.02820	0.7
79.01732	0.3
81.03329	1.3
83.01241	0.3
85.02819	2.8
91.01765	0.5
93.03329	1.5
95.01260	2.1
99.00793	0.3
101.02333	1.0
107.01257	0.3
108.02055	100.0
109.02859	37.0
110.03193	1.5
113.02364	0.7
121.02821	2.5
122.03619	0.4
123.00778	1.8
123.04395	0.9
125.02328	0.3
126.53955	0.2
127.74901	0.2
133.02841	0.8
134.03636	0.4
135.00786	3.1
135.04391	0.6
137.02379	1.1
139.03922	2.5
151.03923	1.2
152.01062	67.5
153.01852	21.3
154.02208	0.6
163.03917	1.5
165.01855	0.9
177.01785	0.2
177.81149	0.2
178.52803	0.2
181.04944	0.3
181.24138	0.3
183.12437	0.2
183.13853	1.7
195.02841	0.3
195.13864	1.0
211.94859	0.2
213.14900	5.3
214.15269	0.5
225.04036	0.4
264.82318	0.3
276.67776	0.2
293.13870	0.7
315.07275	0.9
343.24097	0.5
371.17261	0.3
426.94757	0.2
501.33435	0.2
511.21817	89.9
512.22162	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	511.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.5
60.01600	0.2
61.98702	5.1
64.29121	0.2
71.01249	1.6
71.52346	0.3
72.99173	0.3
73.02817	0.5
77.83272	0.2
78.95782	0.3
80.96380	0.9
83.01293	0.2
85.02806	0.3
87.17384	0.2
89.02323	0.8
89.27795	0.3
93.03336	1.1
94.98000	0.4
101.02328	0.8
109.02872	0.3
113.02336	0.6
117.03340	1.5
119.04917	81.2
120.05257	3.4
123.04416	0.3
125.02314	0.3
135.04401	0.8
137.02327	2.0
145.02855	9.1
146.03242	0.5
161.02344	0.8
163.03922	100.0
164.02878	0.4
164.04251	4.6
179.03406	0.3
187.80283	0.2
203.12874	0.3
215.65112	0.2
225.00639	0.4
281.84290	0.2
297.12531	0.7
325.09253	5.6
326.09750	0.6
349.16498	3.2
350.17026	0.5
391.17651	0.4
395.15182	0.3
451.29095	0.4
464.84564	0.3
494.19269	0.3
511.18829	1.8
512.20142	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16104	0.2
59.01237	0.9
61.98691	0.7
69.03333	0.3
70.74557	0.2
71.01262	0.3
71.17593	0.2
78.95781	2.3
81.03333	0.2
83.04908	0.3
93.03352	0.4
95.04898	0.8
97.06485	0.3
99.08040	0.9
107.04915	1.2
108.02045	0.3
108.05250	0.5
110.98391	1.6
121.02860	0.3
122.03628	0.7
123.04414	71.4
124.04732	2.5
125.09618	0.3
151.03923	0.3
151.91130	0.2
153.05484	100.0
154.05814	5.0
157.74976	0.2
167.01086	1.3
171.10191	1.6
183.13846	0.3
185.02164	0.6
193.12279	1.8
209.11752	1.2
211.13379	0.6
213.14922	1.9
214.15266	0.7
215.15469	0.3
225.14922	2.2
243.16068	0.8
247.13283	0.2
270.01501	0.2
285.04080	0.7
293.21219	0.3
297.09833	0.5
313.03531	1.2
314.03671	0.3
315.10977	0.4
318.61572	0.2
328.05820	0.6
343.24887	7.9
344.25372	1.1
350.64017	0.2
377.92105	0.2
511.12396	1.2
511.26605	7.4
512.27112	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2677
Annotation	Ganoderic acid E
Peak:m/z	Relative Intensity
51.47671	0.5
57.03325	0.6
57.75309	0.5
59.01258	3.0
60.25527	0.6
61.98697	2.4
68.47115	0.6
69.03326	1.3
71.01261	0.7
78.11606	0.5
78.95779	28.3
80.61260	0.6
83.04895	1.4
85.02809	0.9
97.06477	2.0
99.08035	12.2
100.08321	0.7
104.97356	1.1
110.98415	21.1
112.86143	0.5
121.10128	1.2
123.04387	1.1
125.09608	2.9
126.59671	0.6
127.11117	0.7
137.09592	1.5
139.11052	0.6
149.13171	0.7
151.11232	0.7
152.99481	1.4
153.05478	2.3
163.11240	0.8
165.12759	1.5
167.01074	17.4
171.10194	17.0
172.10564	1.1
175.11235	2.0
185.02136	8.4
193.12288	19.7
194.12645	1.5
197.15448	1.0
209.11830	4.2
211.13289	5.2
225.14911	29.5
225.17137	1.5
226.15251	2.8
243.15967	11.7
244.16339	1.0
293.21185	2.6
311.22263	1.3
319.11777	0.7
325.23871	1.3
343.24887	100.0
344.25272	12.4
374.59747	0.8
511.26788	82.1
512.27191	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2679
Annotation	Ganoderic acid E
Peak:m/z	Relative Intensity
51.10822	0.5
51.25820	0.5
57.03328	1.0
59.01248	2.9
60.39681	0.6
61.98697	2.3
66.13549	0.6
66.52394	0.6
69.03329	2.2
78.18307	0.6
78.95778	33.3
79.89993	0.6
81.98772	0.6
83.04893	2.4
90.89862	0.6
93.88494	0.6
96.27889	0.5
97.06461	0.8
99.08033	11.1
100.08342	0.6
104.97395	1.1
110.97639	1.3
110.98413	25.8
111.08065	0.8
121.10124	2.3
125.09609	3.2
127.11175	1.8
127.71127	0.5
136.99950	1.0
137.09622	2.3
138.46240	0.5
139.11157	1.4
146.69475	0.5
151.00171	0.5
151.11189	1.0
152.99484	1.1
153.09126	0.6
165.12772	1.1
167.01065	24.2
167.10672	0.5
168.01421	0.6
171.10178	31.2
172.10593	0.9
175.11179	1.6
185.02141	8.5
193.12276	19.0
194.12657	1.7
209.11766	4.4
211.13408	5.7
225.14900	26.8
226.15282	2.0
227.12831	1.1
243.15979	9.8
293.21240	3.7
311.22537	0.8
325.23901	1.1
343.24884	96.4
344.25223	13.6
384.83170	0.7
511.26764	100.0
512.27136	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	511.2678
Annotation	Ganoderic acid E
Peak:m/z	Relative Intensity
54.33752	0.5
55.01758	0.8
57.03303	0.6
59.01249	3.6
61.98720	2.6
61.98965	0.5
63.25710	0.5
67.41595	0.6
69.03313	1.8
69.30448	1.8
69.30859	2.1
70.78457	0.5
71.01234	1.4
71.04894	0.8
78.95777	31.0
83.04896	1.7
94.98917	0.7
97.06445	1.3
99.08039	9.6
103.95926	0.5
104.97373	1.3
110.98416	25.2
113.09554	0.6
117.48727	0.6
121.10105	2.8
125.09614	2.4
127.11190	1.0
135.04364	0.7
137.09602	2.2
139.11179	0.5
141.29558	0.5
153.09103	0.7
155.43208	0.6
161.02406	0.8
163.11172	0.7
165.12698	0.9
166.43645	0.6
167.01073	20.8
171.10184	35.2
172.10558	2.1
183.13817	0.7
185.02139	8.2
193.12279	17.8
194.12621	1.4
209.11804	1.8
211.13330	5.9
213.14832	0.6
225.14917	25.3
226.15234	2.1
227.12869	1.2
235.39485	0.8
243.15997	9.9
244.16299	0.8
293.21191	2.5
325.23938	1.1
343.24878	96.3
344.25238	11.2
511.26779	100.0
512.27142	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	511.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33752	0.5
55.01758	0.8
57.03303	0.6
59.01249	3.6
61.98720	2.6
61.98965	0.5
63.25710	0.5
67.41595	0.6
69.03313	1.8
69.30448	1.8
69.30859	2.1
70.78457	0.5
71.01234	1.4
71.04894	0.8
78.95777	31.0
83.04896	1.7
94.98917	0.7
97.06445	1.3
99.08039	9.6
103.95926	0.5
104.97373	1.3
110.98416	25.2
113.09554	0.6
117.48727	0.6
121.10105	2.8
125.09614	2.4
127.11190	1.0
135.04364	0.7
137.09602	2.2
139.11179	0.5
141.29558	0.5
153.09103	0.7
155.43208	0.6
161.02406	0.8
163.11172	0.7
165.12698	0.9
166.43645	0.6
167.01073	20.8
171.10184	35.2
172.10558	2.1
183.13817	0.7
185.02139	8.2
193.12279	17.8
194.12621	1.4
209.11804	1.8
211.13330	5.9
213.14832	0.6
225.14917	25.3
226.15234	2.1
227.12869	1.2
235.39485	0.8
243.15997	9.9
244.16299	0.8
293.21191	2.5
325.23938	1.1
343.24878	96.3
344.25238	11.2
511.26779	100.0
512.27142	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	511.291
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.85217	0.5
56.71095	0.4
59.01241	1.8
60.04293	0.4
71.01259	1.0
78.95766	1.0
80.02546	0.9
81.03310	1.8
83.04894	6.5
84.02056	0.9
93.03337	1.3
95.04893	1.4
97.06458	0.8
109.06483	1.0
115.02393	0.4
123.08023	0.9
125.05987	0.7
125.09623	2.3
127.11242	0.8
135.04385	0.7
135.08043	1.3
139.61414	0.4
149.09579	1.0
153.09164	0.5
162.02898	0.4
163.11226	4.4
165.12781	2.4
171.10179	32.9
172.10583	2.0
177.12746	0.5
185.11786	2.9
189.26346	0.4
191.10722	0.9
203.14427	0.9
207.10213	0.7
209.11772	100.0
210.12112	7.1
212.53264	0.5
219.13873	0.5
221.11807	1.4
223.13281	1.5
227.12827	9.6
229.12357	0.9
231.13884	1.0
237.15068	0.5
247.13365	10.6
248.13826	0.9
265.14435	3.3
313.21600	0.5
321.17194	1.0
330.97397	0.5
331.22946	0.6
357.24509	0.6
375.17612	0.4
375.21277	2.2
375.25809	0.9
393.22809	0.7
401.23273	1.8
419.24344	1.7
431.24539	0.8
437.25400	1.2
449.25244	2.8
450.25562	0.6
457.25818	0.6
467.09009	1.3
475.26901	3.1
476.27203	0.7
493.28061	2.9
494.28128	0.6
511.29330	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	511.35
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83199	0.2
59.01250	44.8
59.12533	0.2
60.01591	0.6
61.98717	0.6
69.31246	1.9
71.01259	0.5
81.03322	3.4
81.03689	0.3
83.04898	10.6
96.09302	0.3
101.02353	0.3
108.04464	0.6
125.07110	1.4
131.55664	0.3
143.08191	0.6
190.75639	0.3
195.66811	0.3
207.14984	1.4
224.17554	2.0
225.16040	10.1
226.16441	0.7
242.18748	0.8
250.15637	0.4
324.26563	1.1
333.22986	2.4
334.23526	0.3
351.24033	0.9
367.27167	0.8
368.27332	0.4
433.31906	5.9
434.32355	1.0
451.32877	100.0
452.33215	16.7
511.35321	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.8
61.51579	0.2
61.98705	2.8
63.09604	0.2
64.86196	0.2
69.35464	0.4
69.35867	1.3
71.01254	1.0
73.02810	0.7
83.01252	1.9
85.02832	0.5
89.02323	0.5
93.03350	0.3
98.20557	0.2
99.00753	0.5
101.02332	2.3
106.82652	0.2
113.02347	0.6
117.03351	10.0
118.02874	0.7
118.03660	0.4
119.04912	4.3
120.05254	0.2
121.02856	0.2
127.00268	1.2
131.03677	0.9
132.04454	3.2
145.02859	43.2
146.03192	2.4
159.01204	0.3
159.03172	15.8
160.03952	100.0
161.04303	5.6
161.05721	0.3
163.03923	3.7
168.57872	0.2
177.37778	0.2
186.05649	0.3
187.03984	0.5
197.86772	0.2
201.96315	0.2
204.02975	4.2
205.03299	0.2
304.08176	0.5
307.08240	20.0
308.08521	1.4
322.09314	3.8
366.08203	0.8
468.12994	11.7
469.13263	1.8
512.11987	20.1
513.12280	3.6
513.19794	3.3
536.30768	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	3.1
57.03316	2.1
59.01250	20.3
61.98693	1.6
67.36715	0.5
69.03332	0.7
69.18048	1.6
69.18457	4.7
71.01253	16.4
72.99165	2.4
73.02818	12.2
75.00758	0.7
81.03316	2.0
83.01257	57.3
83.04877	0.9
84.01573	1.2
85.02821	6.8
87.00759	2.9
87.04391	5.1
89.00528	0.9
89.02316	9.5
95.01233	2.1
97.02813	1.8
99.00758	14.6
99.04392	2.0
101.02325	57.6
102.02704	0.9
110.02365	1.0
111.04391	0.9
113.02330	8.2
117.03335	1.2
119.03357	3.8
119.04843	0.7
121.13593	0.6
125.02372	4.6
125.65405	0.5
127.00266	33.1
127.99403	0.6
128.00542	0.9
133.02945	0.6
134.03612	0.6
135.04379	1.0
136.17477	0.6
137.02350	0.9
143.03412	1.2
145.02869	2.4
151.00221	0.9
152.01070	1.0
161.02396	1.0
161.04433	1.6
161.09581	1.1
163.04037	0.6
167.03423	1.2
175.03889	0.8
175.07510	1.5
176.08350	1.9
177.03275	1.2
179.03445	0.9
179.05568	0.9
179.10738	0.6
187.11234	3.1
189.09094	0.7
190.09917	1.3
194.78958	0.6
205.12267	4.4
233.11768	1.2
255.02927	2.4
268.03842	1.5
269.04636	0.7
283.02423	1.7
284.03207	2.9
285.03986	2.8
296.03162	1.0
297.04016	2.1
298.04800	5.3
299.05652	4.4
307.04822	1.4
311.05591	1.6
323.04355	6.0
338.06696	17.8
426.73257	0.6
513.19739	100.0
514.09290	1.2
514.20081	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	513.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	3.5
55.94937	0.6
57.03322	2.8
57.98269	0.7
59.01253	13.7
60.82531	0.6
61.12434	0.7
61.98690	2.9
69.65366	1.2
69.65771	2.9
69.83106	0.6
71.01254	15.2
72.01601	0.7
72.99180	1.8
73.02824	10.4
75.00748	1.2
78.95748	0.8
81.03336	2.0
83.01259	56.4
84.01602	1.2
85.02815	5.7
87.00754	1.2
87.04385	3.4
89.02319	6.9
95.01284	1.9
97.02816	1.6
98.20535	1.2
99.00172	1.1
99.00764	10.8
99.04384	0.8
101.02326	64.8
102.02653	1.4
110.31436	0.7
113.02335	5.2
117.03404	0.8
119.03391	2.7
119.04935	0.9
123.04368	0.8
123.07996	0.7
125.02348	2.9
127.00268	29.3
128.00632	0.8
129.01799	0.7
135.04445	0.9
135.08080	0.7
136.05182	0.8
138.06763	1.9
139.07579	0.8
140.99771	0.6
143.03410	1.0
145.01288	1.0
145.02844	4.5
149.02342	1.3
149.05992	0.7
151.07587	1.7
152.08334	2.8
153.09114	9.7
159.03230	0.7
160.03899	1.6
161.02364	1.1
161.04437	2.4
161.09601	2.0
163.11130	1.4
165.05460	0.7
171.67258	0.7
179.10709	4.6
187.11162	0.8
190.09970	0.7
197.21451	0.6
205.12251	10.0
206.12521	1.0
223.13326	2.3
225.27122	0.9
374.44238	0.7
459.43979	0.6
513.19806	100.0
514.20203	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	513.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63860	0.5
55.01761	4.9
58.00449	1.1
59.01253	18.4
61.98705	16.2
63.06112	0.6
70.53425	1.8
71.01255	21.2
72.01579	0.7
72.99174	1.7
73.02821	11.3
74.44749	0.5
81.03336	4.9
83.01258	65.7
83.04907	0.7
84.01601	2.0
84.95153	0.5
85.02825	7.1
87.00747	3.9
87.04398	4.7
89.02321	9.9
93.03340	1.6
95.01281	1.6
97.02843	2.9
99.00104	0.7
99.00752	15.6
99.04394	5.2
101.02325	73.4
102.02668	2.1
111.00787	1.1
111.04382	1.0
113.02322	6.1
117.03362	0.6
119.03371	4.6
119.04902	0.6
119.96199	0.5
121.06461	1.0
123.04376	1.1
125.02347	8.8
127.00268	42.3
128.00655	1.1
131.03384	0.7
135.04439	1.1
137.09608	0.7
143.03378	2.2
145.01314	1.6
145.02829	1.5
149.05994	0.6
149.09512	0.8
153.05515	0.6
161.02362	1.8
161.04489	1.6
161.09624	1.6
163.03912	0.8
171.58630	0.6
175.07539	1.8
176.08324	2.0
178.09875	0.7
179.05495	1.7
179.10620	0.8
185.04375	0.7
187.11205	5.4
189.09146	1.0
189.12857	0.6
190.09921	2.0
199.03479	0.7
203.10652	0.7
204.11487	1.0
205.12248	6.5
233.11781	1.5
274.31613	0.7
322.71478	0.6
364.74683	0.6
471.99957	0.6
512.30994	0.9
513.19788	100.0
514.20148	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	513.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97520	0.3
59.01248	3.5
61.98705	11.5
63.96111	0.8
67.55563	0.3
69.03343	0.4
69.24245	0.5
69.24652	2.5
71.01254	9.8
72.99181	0.9
73.02831	2.4
74.98963	2.1
78.98465	5.2
79.95602	8.2
80.53259	0.3
80.96389	61.0
81.03317	1.0
83.01254	1.1
85.02818	4.1
85.40662	0.3
87.00752	3.0
89.02319	1.4
93.03320	0.5
94.97960	15.9
95.01251	0.6
96.95885	1.5
97.02827	1.6
99.00765	1.7
99.04430	0.4
101.02324	3.3
106.97972	2.8
108.02036	0.9
113.02343	1.8
114.05465	0.5
118.97978	0.3
119.04945	0.4
121.06499	0.6
122.97467	5.5
125.02329	4.3
127.03893	0.9
134.97479	4.0
135.04419	0.5
136.99020	1.6
137.02313	1.0
143.03369	0.4
145.02879	0.5
148.99045	5.9
152.01038	0.8
152.98526	7.2
153.01834	0.4
156.27553	0.4
160.08804	0.5
161.02335	0.6
161.04471	0.8
163.03893	0.8
164.98540	12.1
165.05464	0.8
167.00052	0.6
167.03224	0.5
177.12798	0.8
182.99617	2.6
183.10213	0.4
183.13867	1.0
188.98608	0.4
189.12753	1.7
195.13846	0.5
201.12767	1.0
204.11545	0.4
206.99648	3.3
213.14879	3.1
219.11705	0.5
219.13861	9.1
220.14148	0.5
225.00697	19.3
226.00941	0.6
237.04436	0.5
243.01749	1.7
299.04449	3.3
351.14713	0.5
357.27042	0.4
423.13077	0.7
453.14316	1.0
477.13852	0.5
513.20038	100.0
514.20374	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	513.201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61746	0.3
52.74334	0.4
57.03312	1.3
59.01249	5.3
61.98705	13.4
63.96108	0.9
67.18761	0.3
69.03317	0.6
70.53986	0.7
71.01252	9.4
72.99162	0.5
73.02821	1.4
73.98187	2.1
78.95773	0.6
78.98460	4.6
79.95603	8.7
80.96390	56.7
81.03337	0.8
83.01233	0.9
83.79438	0.3
85.02824	4.3
86.98973	1.0
87.00757	2.6
89.02316	1.6
89.22353	0.4
93.03328	0.4
94.97966	14.3
94.98582	0.7
95.01268	0.8
96.95915	0.4
97.02834	1.5
99.00731	1.2
99.04411	0.7
101.02324	4.6
106.97966	2.6
109.02847	0.4
113.02324	1.4
117.73914	0.4
119.04902	1.1
122.57853	0.3
122.97470	3.0
125.02372	2.2
127.03916	1.0
134.97470	4.8
135.04431	0.5
136.99046	1.0
137.02393	0.6
138.02678	0.4
139.03931	2.6
143.03452	0.4
145.02858	0.9
148.99072	4.6
152.01016	0.4
152.98532	5.7
154.00830	0.6
160.01532	0.3
161.02319	1.1
161.04491	0.6
163.03885	1.3
164.98532	11.0
165.98888	0.5
167.00037	0.6
179.00107	0.4
179.03404	0.6
183.13826	0.6
195.13803	0.7
206.99684	2.7
213.14900	2.4
223.09840	0.4
225.00693	15.4
226.01050	0.8
278.86380	0.3
279.14078	0.4
299.04391	2.9
307.13660	1.9
308.14020	0.5
371.99994	0.4
393.86002	0.3
425.13107	0.4
477.23782	0.6
480.41382	0.4
513.20087	100.0
514.20422	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	513.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73696	0.1
55.01753	0.4
57.03320	0.2
58.00471	0.2
59.01250	6.6
62.94800	0.1
68.99665	0.1
71.01254	4.8
71.88576	0.1
72.99171	0.4
73.02821	1.0
83.01256	0.6
83.04905	0.2
85.02826	1.2
85.99954	0.1
87.00742	0.6
89.02319	3.3
91.03872	0.2
95.01266	0.3
97.02830	0.2
97.06458	0.2
99.00754	0.3
99.04370	0.1
101.02325	4.6
103.03902	0.1
113.02332	2.1
113.05966	0.1
115.03868	0.1
119.03377	0.8
125.02303	0.3
127.07533	0.3
131.03398	0.2
133.04976	0.4
143.03394	0.4
149.04456	0.1
157.04962	0.2
161.04477	1.6
179.05536	0.6
182.12923	0.1
233.22708	0.3
235.08139	1.1
253.09264	15.6
254.09647	1.0
259.20660	0.4
275.20184	0.4
277.21716	100.0
278.22058	11.7
513.33740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76675	0.1
55.01752	0.4
58.00460	0.3
58.10894	0.1
59.01250	6.2
64.41248	0.1
71.01251	4.5
71.09498	0.2
72.99163	0.2
73.02811	1.0
83.01237	0.4
85.02833	1.0
85.43071	0.1
87.00746	0.6
89.02316	3.9
91.03893	0.2
95.01257	0.4
97.02823	0.2
98.05982	0.1
99.00737	0.3
101.02326	4.6
113.02323	2.3
114.69594	0.1
115.03875	0.2
115.32865	0.1
119.03397	1.1
125.02325	0.2
127.07573	0.2
131.03398	0.2
133.04939	0.3
143.03450	0.3
145.04820	0.1
149.04507	0.2
157.04921	0.2
161.04486	1.7
179.05560	0.7
183.70064	0.1
205.19461	0.2
233.22661	0.3
235.08119	1.0
241.23138	0.1
253.09256	16.0
254.09619	0.8
259.20648	0.4
275.20227	0.5
277.21713	100.0
278.22055	11.3
388.02521	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.358
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
59.01249	3.8
61.98728	0.8
71.52188	0.7
78.95795	1.0
91.80946	0.9
111.88856	0.8
124.61708	0.7
141.05458	1.3
145.60098	0.7
185.04582	0.9
198.68683	0.8
227.44820	1.0
260.93292	0.8
277.21655	1.5
430.46140	0.9
453.33557	5.1
513.35822	100.0
514.36182	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	514.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01012	0.1
59.01248	0.7
61.98704	100.0
66.68385	0.2
70.99068	0.2
70.99391	0.2
71.01260	0.4
78.95782	0.2
97.37518	0.2
111.00750	0.2
142.53436	0.1
148.46364	0.1
253.09323	0.2
279.19748	0.5
304.72092	0.2
453.30853	0.2
471.31680	0.5
487.89511	0.2
514.27972	0.4
515.21887	0.2
515.29877	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68573	0.0
55.31404	0.1
55.98627	0.1
59.01242	0.4
59.25687	0.0
61.01697	0.0
61.98704	100.0
62.98409	0.2
71.01273	0.3
71.52212	0.1
72.99192	0.2
73.02793	0.1
81.03304	0.1
83.01265	0.3
85.02847	0.1
89.02324	0.1
99.00779	0.2
101.02330	0.5
113.02350	0.2
120.06410	0.1
125.02411	0.1
127.00296	0.2
133.02887	0.1
134.03789	0.0
135.04422	0.3
135.53215	0.0
137.02368	0.1
137.17931	0.1
143.03500	0.1
144.44321	0.0
145.01300	0.1
149.06001	1.2
151.03955	0.1
161.02350	0.3
161.04454	0.1
179.03400	0.4
189.96950	0.0
191.05505	0.1
316.25763	0.1
353.12604	0.1
452.33585	0.1
453.33682	0.1
454.33884	0.4
469.13382	0.1
514.20599	0.2
514.32794	0.2
515.21564	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75937	0.1
57.03318	0.2
59.01255	2.4
61.98704	3.7
62.20835	0.1
70.99898	0.3
71.01270	0.9
72.99162	0.1
73.02814	0.3
73.59585	0.1
80.96379	0.5
81.03326	0.5
82.95967	0.3
83.01231	0.2
85.02819	0.3
87.00753	0.3
89.02312	0.4
89.03842	2.0
89.04362	0.2
93.03339	0.4
93.93322	0.1
95.01221	0.1
95.04893	0.2
97.02853	0.2
99.00757	0.2
99.04398	0.2
101.02348	0.6
104.02560	0.4
105.03339	3.8
106.03684	0.1
109.02839	0.3
113.02339	0.3
117.03322	0.3
119.03385	0.2
119.04922	0.2
120.02031	0.1
121.02856	0.2
125.02357	0.2
125.04864	0.1
132.02127	0.1
133.02850	8.4
134.03683	2.3
135.04388	0.2
137.02318	0.2
139.03905	0.3
148.01584	0.5
149.02348	0.8
149.05983	1.2
153.14633	0.1
160.01593	0.5
161.02316	0.2
163.03880	0.3
175.03947	0.3
176.01105	1.0
177.01852	100.0
178.02191	5.3
179.03531	0.1
191.14171	0.1
193.04993	1.4
219.02898	0.1
227.00409	0.2
337.09232	0.1
339.07175	4.0
340.07645	0.4
449.26349	0.1
483.46414	0.1
514.21014	0.2
515.12085	6.8
515.20435	1.2
516.12335	1.3
516.19678	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2132
Annotation	hesperadin
Peak:m/z	Relative Intensity
55.01755	4.2
57.03303	2.3
57.66882	0.6
59.01254	7.8
69.25195	1.8
69.25595	3.1
71.01258	10.7
73.02823	16.6
83.01260	58.7
84.01564	0.9
85.02841	4.5
87.04397	1.0
89.02329	4.0
94.65824	0.6
95.01256	1.0
98.20596	1.2
99.00758	11.7
100.15409	0.6
101.02327	48.1
113.02325	3.0
119.03352	0.9
123.08076	5.5
124.18176	0.6
125.02341	0.7
127.00270	33.2
128.00641	1.0
137.09630	1.8
137.73976	0.8
143.24802	0.6
151.00285	1.1
158.94376	0.8
161.04427	2.6
163.11191	4.5
179.05569	0.8
189.12784	7.8
190.13031	0.8
197.97105	0.6
206.18994	0.6
207.13879	6.3
285.03983	3.6
294.04169	0.8
300.02856	1.8
313.03604	1.6
322.03333	1.1
332.00595	0.7
340.04633	6.2
515.21338	100.0
516.21606	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	515.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21336	0.8
55.01763	6.4
57.03316	3.1
59.01250	25.6
69.03331	1.4
71.01254	19.7
72.99194	1.3
73.02825	11.4
81.03336	9.8
83.01258	73.5
83.04887	1.7
84.01602	1.5
84.02048	1.2
85.02811	6.2
87.04396	14.7
89.02325	8.4
93.03353	2.3
97.02826	7.4
99.00761	17.3
99.04390	9.1
101.02325	68.5
102.02659	1.7
111.04377	2.9
113.02347	6.9
115.03892	2.1
119.03400	3.2
122.44873	0.9
125.02335	20.2
127.00272	33.4
128.00540	1.0
138.39728	0.8
138.89919	0.9
143.03369	4.3
145.01303	1.1
179.05618	1.2
185.04459	1.7
340.09592	0.9
430.42416	1.0
515.21362	100.0
516.21680	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	515.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	67.0
60.34322	2.0
61.98680	4.2
63.18029	2.1
71.01246	5.6
71.52271	2.1
78.95751	2.8
82.63053	1.9
85.02848	2.0
97.38432	2.1
101.02324	2.9
111.08052	3.8
113.02317	5.6
121.77538	2.1
123.08025	2.8
125.09560	2.6
145.02843	2.8
152.99503	2.6
171.10175	3.2
195.13887	5.1
223.13321	4.0
262.76538	2.4
275.20105	9.1
276.20718	2.6
293.21225	100.0
294.21460	11.2
407.29391	3.7
409.31354	3.7
453.29999	11.7
471.30981	10.2
497.28967	3.1
515.29987	62.4
516.30206	11.6
524.02594	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.2
56.90592	0.2
57.03302	0.2
59.00956	0.3
59.01251	5.2
71.01257	3.9
72.99185	0.3
73.02826	0.9
75.00709	0.2
75.38379	0.1
78.95795	0.2
81.03323	0.2
83.01249	0.6
85.02816	1.2
87.00754	0.5
89.02314	3.1
90.02612	0.2
95.01273	0.3
97.02849	0.2
99.00777	0.3
101.02320	3.6
103.03897	0.2
113.02334	1.8
119.03404	0.7
125.02271	0.2
125.09579	0.2
133.04936	0.4
143.03392	0.4
161.04437	1.2
179.05524	0.6
189.86026	0.1
235.08249	1.0
253.09274	14.1
254.09737	0.7
256.25745	0.1
261.22290	0.3
271.23044	0.2
279.23288	100.0
280.23642	11.4
347.65512	0.2
356.08249	0.2
358.49802	0.1
401.83234	0.2
515.34698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.6
61.98703	100.0
68.55180	0.6
69.03333	0.5
71.01252	5.0
71.52068	0.4
72.00794	0.6
72.99178	7.9
73.02835	1.9
83.01260	2.7
85.02809	3.5
87.00777	0.5
89.02334	2.1
95.01284	1.1
99.00764	1.5
101.02313	3.8
113.02328	4.8
117.03374	1.2
117.70669	0.5
119.03478	0.7
119.04931	0.8
123.04433	0.8
127.00259	1.2
129.01817	0.6
134.02774	0.5
134.03667	2.1
135.04437	3.9
137.02402	0.6
145.02853	4.2
152.99501	1.1
160.01634	0.7
161.02370	1.2
161.04503	1.3
175.03973	0.8
179.03491	1.1
285.04071	1.2
307.08215	1.3
407.84567	0.5
443.15775	0.6
445.15253	1.2
461.16739	7.3
516.22125	2.5
517.14581	1.2
517.23102	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03355	0.3
59.01250	14.1
61.98695	0.9
64.42935	0.3
71.01252	6.8
71.06544	0.4
72.99187	0.6
73.02815	2.3
74.02354	0.3
75.00739	0.3
78.95794	0.5
83.01252	2.0
85.02815	2.5
87.00768	0.5
89.02312	4.0
93.03329	0.5
95.01275	0.6
95.04932	0.3
99.00745	1.4
101.02320	4.6
105.03319	0.4
107.04922	0.2
109.02844	0.5
111.00748	0.3
113.02346	2.5
117.03349	27.7
118.03695	1.3
119.03422	1.2
119.04913	17.5
120.05267	0.7
121.02869	0.8
121.06581	0.3
123.04431	0.5
125.02287	0.3
127.00261	0.5
128.03419	0.4
129.01833	0.9
129.48384	0.3
131.03464	0.5
133.02866	1.4
133.06522	0.4
134.03647	0.8
135.04439	1.6
137.02327	0.3
143.03430	0.5
143.04524	0.7
144.73520	0.3
145.02855	100.0
146.03197	5.9
147.04405	0.5
149.04456	0.9
149.05983	0.5
149.75134	0.3
150.03171	0.3
151.03918	2.4
152.99484	0.3
159.04430	0.9
161.02353	12.2
161.04485	1.2
161.05853	1.7
162.02859	0.6
163.03918	13.3
164.04294	0.7
175.03899	0.6
176.04698	6.5
177.05289	0.4
179.03416	18.3
180.03864	1.1
185.06041	0.3
187.03914	1.6
189.05605	0.4
191.07034	2.5
193.04993	0.4
194.05774	17.0
195.06412	1.7
205.04926	1.3
209.08128	16.6
210.08479	1.0
215.07181	0.4
217.05006	0.5
233.30702	0.3
247.06110	0.8
274.84634	0.3
306.07751	1.4
307.08218	59.9
308.05173	0.5
308.08575	6.0
323.07578	0.6
397.22446	0.3
499.19736	0.5
517.17029	14.0
517.30658	1.0
518.17682	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18272	1.0
55.01745	3.8
57.03313	4.8
58.00471	2.2
59.01249	83.7
60.01578	1.3
61.98693	4.0
69.03326	1.2
69.50699	6.4
71.01253	35.9
72.99178	3.8
73.02821	17.3
75.00719	2.0
81.03316	4.5
83.01257	51.9
84.01567	1.8
85.02818	11.8
87.00751	2.8
87.04388	7.8
89.02310	22.9
91.77322	1.0
93.03314	1.7
95.01257	4.1
96.95868	1.8
97.02809	3.7
97.99140	1.2
99.00751	15.3
99.04391	5.7
101.02323	57.6
109.02893	1.2
113.02325	17.6
117.03332	1.7
119.03391	7.4
120.99542	3.6
123.08051	5.8
125.02328	11.1
127.00264	24.9
131.03421	1.9
132.02090	7.6
133.02892	5.9
134.03673	10.2
135.04451	9.3
137.02325	1.7
142.68932	1.2
143.03384	3.8
145.02826	5.1
145.23296	1.2
145.64078	1.0
146.03635	14.1
147.04269	1.6
148.01492	1.0
149.04454	1.8
149.06000	2.1
151.03835	1.6
153.09114	5.0
157.28699	1.1
160.00238	1.9
160.01570	36.3
161.02147	3.6
161.04433	5.1
161.05981	5.8
162.02989	1.4
163.03889	2.7
164.04677	10.3
175.03935	39.9
176.04305	2.7
177.01852	33.7
178.02161	20.3
179.02296	11.3
179.05518	3.8
179.07042	14.3
191.05511	1.8
193.05002	7.7
205.12276	2.3
209.15422	2.0
223.13298	2.1
235.06049	1.2
271.02408	1.6
295.85037	1.1
299.01889	4.8
314.04276	3.2
329.06537	8.0
337.09253	30.7
338.09625	3.3
341.07275	1.3
385.18668	1.3
400.57245	1.3
407.29453	1.8
425.26303	1.2
433.12543	1.2
437.30692	3.6
455.31656	15.7
456.32141	2.5
473.32718	2.5
488.88144	1.3
499.30753	1.5
517.22852	100.0
517.31494	50.9
518.23163	19.3
518.31824	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	517.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98529	1.7
55.01754	4.3
57.03321	10.8
58.00462	3.6
59.01249	57.8
61.98704	4.0
65.00740	1.7
67.14307	1.9
69.03272	1.7
69.31586	5.0
69.31994	10.1
71.01250	75.2
71.63657	1.7
72.99175	7.6
73.02821	41.3
75.00756	8.1
82.41017	1.8
82.84947	1.9
83.01252	38.1
84.01588	3.4
85.02829	35.6
87.00768	6.1
89.02312	57.3
89.02839	4.0
90.98453	2.2
95.01245	9.5
98.20571	3.5
99.00757	100.0
101.02325	67.1
101.03004	3.0
102.01934	1.9
102.02647	2.3
103.02770	3.4
113.02337	42.8
114.02636	3.9
116.39416	1.8
119.03382	7.1
123.08086	2.5
127.00259	14.7
128.00606	3.8
129.01831	35.4
131.03404	19.6
133.02866	3.0
135.04402	4.7
137.09639	4.6
143.03398	7.0
149.04471	55.6
151.07533	2.6
153.09114	11.7
154.85916	1.9
159.02922	2.3
160.01569	4.5
161.02310	5.8
161.04463	27.0
163.03824	2.3
165.09044	3.6
175.03915	3.7
176.48245	2.1
179.03418	3.4
179.05568	2.5
179.10626	2.1
187.11133	2.2
189.12801	2.0
190.04990	7.1
191.05536	39.0
191.07141	3.7
205.12270	8.3
221.04509	2.6
222.50146	2.3
223.13309	13.5
233.06680	14.4
293.08890	5.6
311.10110	3.1
337.11966	3.0
341.11115	2.8
355.12512	5.3
385.18719	2.2
473.20175	4.2
517.15619	14.0
517.22662	84.2
518.15601	3.6
518.22937	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	517.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35136	0.9
55.01756	1.8
57.03322	2.1
58.00462	2.3
58.06210	0.8
59.01251	46.9
59.28089	0.8
71.01252	48.0
71.29282	1.9
72.01620	1.1
72.99162	2.8
73.02819	25.9
81.03305	0.9
83.01258	2.3
85.02825	16.6
87.00735	2.5
89.02319	44.5
90.02648	1.1
95.01255	5.5
97.02802	1.2
99.00755	100.0
100.01099	1.9
101.02327	17.6
113.02331	37.1
114.02685	1.2
119.03372	6.0
131.03387	12.4
136.05209	1.1
138.06705	2.3
143.03394	3.7
149.04465	44.7
150.04738	0.9
151.07552	3.5
152.08325	7.6
153.09120	13.1
154.09439	1.4
159.86406	0.9
161.03215	1.5
161.04477	23.7
161.09554	0.8
162.04742	2.1
176.08318	0.8
179.05466	1.2
187.11160	3.0
189.09116	1.1
190.09962	1.3
191.05540	37.5
192.05956	2.0
205.12285	17.5
206.12692	1.2
223.13307	5.6
233.06598	10.2
233.11896	1.2
274.80127	0.9
293.08786	3.7
307.55405	1.0
384.06461	1.0
385.18698	7.8
386.19019	1.7
419.14175	0.9
445.64969	1.0
454.87897	0.9
517.22913	58.2
518.23364	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	517.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	1.1
57.03310	2.0
58.00461	1.3
59.01254	22.7
64.92441	0.8
69.35210	5.0
71.01254	28.5
72.99168	2.0
73.02824	13.7
75.00748	1.5
83.01257	2.2
85.02824	9.4
87.00727	1.6
89.02319	20.9
95.01261	2.2
97.02818	1.2
99.00760	37.2
100.01086	1.1
101.02331	15.8
102.02631	0.8
106.22396	0.8
113.02338	18.1
115.46250	0.7
116.03406	1.1
119.03355	3.7
125.02308	1.2
131.03394	3.7
134.03661	0.9
136.05231	1.4
138.06754	2.9
143.03406	2.0
149.02451	0.8
149.04477	8.7
151.07533	3.6
152.08339	9.7
153.09125	19.8
154.09491	1.0
159.02896	2.3
161.04472	13.5
163.11185	1.6
177.01839	0.8
179.05585	1.2
190.10011	1.1
191.05545	10.5
193.04958	1.3
205.12280	24.1
206.12572	2.1
220.21541	0.7
223.13322	8.2
224.13733	1.1
233.06590	1.9
305.83847	0.8
365.14691	1.3
371.11826	1.4
385.18655	13.0
386.18896	1.9
499.96405	0.7
517.22919	100.0
518.16223	1.4
518.23334	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	517.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09323	0.5
55.01765	1.1
55.99523	0.5
57.03312	2.0
58.62532	0.5
59.01249	40.3
62.99846	0.6
69.19214	5.2
71.01253	39.2
72.01603	0.7
72.99187	1.5
73.02819	23.7
75.08861	0.5
78.78356	0.5
83.01252	2.0
83.83683	0.5
85.02824	14.5
86.03173	0.6
87.00750	2.7
87.56271	0.5
89.02316	48.3
90.02646	1.0
95.01254	5.7
97.02796	0.6
99.00756	100.0
100.01080	3.3
101.02328	14.3
111.00797	0.6
113.02328	39.6
114.02643	0.7
119.03394	4.0
125.02299	0.8
131.03394	12.1
138.25075	0.5
139.28940	0.7
143.03348	2.9
149.04462	47.0
149.09581	0.9
150.04808	1.2
161.04468	19.2
176.08325	1.1
179.05579	0.8
187.11176	3.6
190.09920	1.4
191.05536	40.0
192.05862	1.5
204.11555	0.9
205.12265	4.4
210.90965	0.6
233.06642	10.5
233.11720	1.8
293.08768	4.0
311.09875	0.6
385.18710	1.3
517.22968	14.8
518.23315	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.2
59.01249	4.9
69.03363	0.3
69.24295	0.5
69.24696	1.9
71.01260	1.8
72.99172	0.3
73.02816	0.7
75.00726	0.2
85.02827	1.2
89.02337	0.5
89.07639	0.2
93.03302	0.4
99.00734	0.3
101.02329	1.1
108.54243	0.3
109.06458	0.3
113.02333	0.8
117.03352	27.1
118.03664	1.2
119.03526	0.3
119.04919	7.0
120.05241	0.4
121.02847	5.4
145.02858	100.0
146.03198	4.9
153.05598	0.3
161.06003	0.7
163.03917	7.0
164.04169	0.3
181.06708	0.4
194.23433	0.3
205.04982	1.5
225.05614	0.4
235.06126	1.3
265.07132	3.0
301.81030	0.3
313.07306	0.9
343.50616	0.3
359.34845	0.3
401.08746	2.9
402.09061	0.5
425.30713	0.3
437.30643	1.7
438.30676	0.4
455.31757	1.7
473.32434	0.3
499.30115	0.3
517.24500	47.5
517.31793	14.3
518.24823	8.6
518.32196	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	517.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.6
59.01250	100.0
60.01589	1.3
60.99172	0.5
61.98709	1.6
66.19946	0.4
71.01255	4.9
71.04879	0.5
72.36227	0.4
73.02825	2.1
83.01265	0.7
83.04947	0.6
84.45545	0.4
85.02842	1.7
85.73536	0.5
89.02319	2.1
92.50360	0.5
99.00777	1.0
101.02324	3.9
113.02335	4.4
119.03391	1.3
125.02391	0.5
131.03442	0.5
143.03458	0.6
161.04486	0.8
261.05502	0.6
281.04547	0.6
347.99875	0.4
353.25079	0.5
397.22336	6.0
398.22617	0.5
407.29901	0.5
415.23425	7.1
416.23938	0.9
437.30542	5.6
438.30939	0.7
454.30710	0.8
455.31708	9.0
456.31952	1.2
457.24521	2.6
457.33325	0.8
457.82620	0.5
469.29977	0.6
471.31256	0.9
473.32672	1.0
487.17819	0.6
499.30719	1.3
517.31677	76.0
518.32037	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	517.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32131	0.7
52.58652	0.7
59.01252	100.0
59.12579	0.8
60.01607	0.8
60.80901	0.7
61.98699	6.4
66.62494	0.6
71.01257	7.1
71.52543	1.1
89.02314	11.6
96.65453	0.9
101.02307	3.7
113.02300	3.8
119.03403	5.1
122.52277	0.7
131.03276	1.0
141.33669	0.8
143.03366	1.2
149.04466	0.8
161.04489	1.8
175.91336	0.7
179.05577	4.4
183.13849	2.3
195.13858	2.8
213.14903	24.9
214.15157	0.9
335.52112	0.8
437.30692	2.0
455.31451	1.4
473.32858	4.2
483.30847	1.3
499.30841	2.2
517.31415	16.2
518.31995	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.8
58.27097	0.3
59.00955	0.6
59.01251	10.4
60.99172	0.6
61.65798	0.3
61.98697	0.5
69.16174	2.6
69.16578	0.6
71.01249	2.3
71.04885	0.5
73.02821	1.3
82.94901	0.4
85.02810	1.1
85.54801	0.4
89.02302	1.0
98.19832	0.6
101.02328	0.9
109.06490	0.7
111.05819	0.3
113.02309	0.9
117.03345	18.3
117.97194	1.4
118.03700	0.6
119.04922	3.9
121.02848	3.6
122.03120	0.4
130.42032	0.4
145.02850	60.1
146.03200	3.7
153.05505	1.3
160.55838	0.3
163.03899	4.7
181.06493	0.5
191.14339	1.1
205.04999	0.9
235.06093	0.9
235.13350	1.1
253.14423	1.2
265.07187	2.2
313.07187	0.6
318.38968	0.4
331.86105	0.4
345.05084	0.4
389.28387	0.5
401.08691	2.6
407.29553	0.5
425.30505	0.9
437.30591	8.8
438.31036	1.3
441.30048	0.4
455.31686	7.3
456.31976	1.5
471.31085	0.8
473.32904	0.5
499.30774	1.5
517.24414	28.2
517.31812	100.0
518.24750	6.0
518.32135	20.8
525.88428	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3166
Annotation	Saponaceolide A
Peak:m/z	Relative Intensity
53.25570	0.3
59.01255	3.1
61.80743	0.3
61.98698	3.7
63.67710	0.3
70.37276	1.0
71.04885	1.3
106.46425	0.3
141.33856	0.3
152.99480	0.6
289.17975	0.7
350.24918	0.3
393.31296	0.4
395.29498	0.4
437.30542	9.9
438.30835	1.8
453.29745	0.4
455.25793	0.6
455.31659	7.4
456.31857	1.1
457.33289	0.4
473.32730	1.1
499.30826	0.7
517.31683	100.0
518.32019	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	517.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08350	0.3
53.31990	0.3
53.41193	0.3
59.01265	1.9
61.29164	0.3
71.01247	0.8
71.04877	2.0
73.02818	0.7
78.04747	0.3
83.04873	0.4
117.03348	3.1
119.04913	0.6
121.02820	0.5
129.24207	0.3
145.01682	0.6
145.02855	11.4
146.03220	0.4
163.03909	0.9
203.78851	0.3
205.05049	0.4
214.48538	0.3
370.29379	0.5
377.28452	0.9
437.30545	7.1
438.30737	1.1
439.28546	0.5
455.31628	6.9
456.31842	1.5
473.32855	0.5
499.30786	2.0
517.24750	6.6
517.31659	100.0
518.25110	1.1
518.32019	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	517.317
Annotation	Bartogenic acid
Peak:m/z	Relative Intensity
55.45089	0.3
57.00064	0.2
59.01254	3.7
60.46552	0.2
61.98685	1.2
71.04896	1.7
71.06673	0.3
71.07037	0.4
73.02839	0.6
78.95752	0.4
83.04879	0.3
89.30124	0.3
103.31312	0.3
111.07991	0.3
113.02283	0.3
113.09605	0.4
123.02313	0.3
123.08012	0.5
151.66327	0.3
158.05791	0.2
175.11301	0.5
189.12802	0.6
236.93138	0.3
267.60208	0.3
281.21277	0.4
293.21225	2.9
303.09299	0.3
375.26996	0.4
377.28339	1.6
379.26337	1.2
395.29504	1.5
413.30624	0.4
421.27441	2.7
422.27914	0.4
429.33612	0.9
437.30652	0.5
439.28503	11.9
440.28992	2.0
455.31680	18.7
456.31982	3.7
473.32758	8.5
474.33072	1.5
485.32672	3.0
499.30649	4.3
500.31012	0.9
517.31708	100.0
518.32080	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	517.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74598	0.4
53.69049	0.5
59.01252	100.0
60.01587	1.0
61.98738	0.6
67.37444	0.5
70.71665	0.7
70.72004	0.8
73.02839	0.6
78.95777	21.1
87.00768	0.5
96.96838	3.1
121.02824	0.6
142.00853	0.5
143.35355	0.5
150.97925	0.8
152.99489	44.4
158.73347	0.5
158.79308	0.6
171.00627	2.1
171.06985	0.5
191.89563	0.5
219.75729	0.5
304.10114	0.5
431.22034	9.4
473.32794	2.2
500.31436	0.6
517.31622	9.2
518.25757	1.2
518.32416	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01594	1.0
61.98712	0.5
77.24557	0.4
78.95778	15.1
96.96839	0.9
97.59351	0.5
98.80573	0.4
101.08979	0.5
128.76414	0.5
150.97870	0.5
152.99496	23.8
192.40073	0.5
240.70729	0.5
259.13287	0.4
295.51617	0.5
422.78836	0.5
431.22034	11.3
445.33231	0.5
457.33276	2.8
458.34021	0.6
499.32288	0.6
517.32111	2.3
518.25073	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64454	1.4
55.01763	1.9
57.03307	3.7
59.01252	24.5
65.00194	7.1
69.37045	6.7
69.37472	4.6
71.01256	19.6
71.39075	1.3
72.01578	2.0
72.99176	2.8
73.02815	10.4
75.00745	1.4
83.01250	16.3
85.02832	13.7
87.00719	3.5
88.17534	1.6
89.02315	17.4
90.02641	1.6
95.01252	5.5
99.00753	28.9
100.01072	2.0
101.02317	17.6
102.02630	3.1
107.01279	12.8
109.02826	7.9
111.00774	1.7
113.02332	22.9
114.02651	2.8
119.03392	2.3
123.08026	1.6
125.02340	24.8
127.00249	4.9
128.00639	1.8
129.00821	1.7
131.03366	3.0
133.02849	43.2
134.03229	2.5
135.04413	3.1
137.02338	14.7
141.40222	1.6
147.04393	2.0
148.44965	1.4
149.02264	1.5
149.04453	13.1
151.00273	44.1
152.00835	1.9
153.01843	2.7
159.04294	1.4
160.03911	4.0
161.02342	7.5
161.04428	9.3
163.00197	3.0
163.03868	1.5
164.03448	14.7
169.01250	3.1
170.02310	2.2
172.03848	2.0
175.02386	3.3
176.01059	4.6
177.01857	25.3
178.99780	21.7
179.03369	5.1
180.00044	1.6
188.03513	3.5
189.01875	2.4
189.05414	1.5
190.04953	10.9
191.03833	2.1
191.05524	15.3
192.00531	3.0
192.05879	3.5
193.01320	4.0
193.03116	1.8
198.01852	6.8
199.04033	1.7
203.03394	1.8
205.01331	15.6
206.01913	1.8
206.04495	6.6
214.01370	2.0
216.02904	14.4
227.03540	2.8
229.04958	2.4
232.00172	3.1
232.02467	50.5
233.02744	3.0
233.06598	2.9
241.05031	2.9
255.02924	4.9
256.03699	4.8
257.04538	7.8
269.04413	5.1
273.03922	1.5
274.45660	1.4
280.06134	2.4
283.02350	2.2
284.03259	32.2
285.04074	11.7
286.04160	1.7
297.04037	19.3
298.04028	2.3
298.07217	2.5
299.05594	5.0
300.05127	5.6
301.03473	15.4
302.04083	2.0
314.06760	10.4
324.05115	100.0
325.05551	11.6
340.06516	2.1
342.06174	93.6
343.06610	12.1
354.06119	1.6
382.07782	1.9
384.07288	2.4
387.20151	4.2
396.07333	2.6
408.05966	2.9
463.39465	1.7
500.08130	9.4
517.21906	12.2
518.09637	19.8
518.22198	17.5
519.09357	4.2
519.24481	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	518.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.3
61.88163	0.2
61.98693	0.2
62.96281	0.2
63.86950	0.2
66.90691	0.2
71.09064	0.4
78.95779	48.0
80.86415	0.2
83.69259	0.2
90.08205	0.2
96.96848	5.9
119.72585	0.2
122.32287	0.2
136.47269	0.2
149.38284	0.2
150.97919	1.7
152.99503	100.0
153.99841	1.7
171.00565	3.8
188.35457	0.2
190.57684	0.2
245.19514	0.2
277.21768	0.7
333.24304	0.8
351.25415	0.3
431.22015	20.3
432.22379	2.7
518.25256	3.0
518.32251	0.2
519.26013	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88725	0.4
58.00456	0.4
59.01257	4.3
59.39230	0.4
60.01583	0.5
60.05164	0.4
61.98701	100.0
69.49511	0.4
69.92261	2.2
71.01263	1.4
71.04889	0.6
78.95778	1.5
85.02840	0.4
89.02337	1.1
98.19891	0.5
98.21244	0.4
101.02334	1.0
119.85153	0.4
152.99504	1.7
165.69615	0.4
202.47652	0.4
211.09256	0.5
246.09096	0.5
266.05112	0.5
268.40036	0.4
289.18463	0.5
290.18481	0.8
291.19577	0.6
293.21167	2.5
438.30908	1.3
439.32086	1.0
455.26508	15.6
456.26508	2.1
456.32098	1.1
457.33148	1.5
461.83875	0.4
468.31671	0.8
473.32886	0.7
474.33078	0.9
485.32941	2.8
486.32962	3.7
487.33453	0.9
501.32220	1.0
517.31097	1.1
518.31885	15.0
519.23615	1.2
519.32544	3.4
520.38171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07275	0.3
59.01248	2.4
61.98702	100.0
71.01229	0.3
71.39138	0.5
78.95771	1.5
80.24376	0.3
111.08083	0.4
128.75613	0.2
152.99478	1.8
195.13875	0.4
219.81741	0.3
227.02936	0.3
247.20631	0.4
267.16068	0.4
291.19635	4.4
293.21393	0.4
434.02145	0.3
456.32568	0.3
461.23605	0.3
485.32733	0.3
500.31271	0.4
518.32471	1.4
519.23883	3.5
519.33185	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	519.1145
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.43961	0.3
59.01250	4.9
61.98692	1.1
65.00200	0.6
67.19071	0.3
69.03334	0.3
71.01250	4.1
71.04885	1.2
72.99177	0.3
73.02821	0.7
76.13430	0.3
83.01258	1.6
85.02820	1.3
87.00774	0.6
88.72250	0.3
89.02315	2.9
93.03334	0.4
95.01259	0.4
99.00764	1.1
101.02325	2.9
104.51960	0.3
107.01285	1.4
108.02059	0.5
109.02808	0.4
111.00702	0.4
113.02312	1.2
117.03361	0.6
119.01276	0.4
119.03382	1.3
119.04891	1.9
123.04430	0.8
125.02283	0.7
128.03410	1.0
133.02823	0.4
133.06497	0.3
134.03635	0.3
135.04405	0.4
136.01550	0.8
137.02397	0.5
137.76851	0.3
139.13722	0.4
143.04747	0.6
145.02861	3.0
147.00778	0.5
147.04398	0.5
148.01593	0.5
149.05940	0.4
151.00272	5.8
151.03920	1.1
153.01875	0.9
155.04916	0.7
159.04381	0.7
161.02325	0.7
161.04488	0.8
163.00224	0.7
163.03935	1.5
165.01924	0.3
167.03403	0.4
167.04892	0.4
167.07021	0.6
168.83539	0.3
169.02879	0.6
171.03137	0.3
171.04428	1.3
175.02138	0.3
179.03464	0.4
179.05530	0.4
182.03624	0.3
183.04355	2.3
185.02351	0.7
187.03903	1.1
193.04881	0.3
199.03925	7.3
200.04254	0.9
201.01881	0.7
203.03407	0.9
204.04253	0.5
205.04919	0.5
211.04001	0.7
212.04425	0.4
215.03423	3.2
226.02663	0.6
227.03462	7.3
228.03983	0.6
229.01424	0.5
229.57166	0.3
242.02141	4.3
243.02954	33.3
244.03391	2.9
254.02148	1.3
255.02959	17.4
256.03378	1.6
257.04547	4.9
258.05063	0.5
259.06174	0.6
270.01703	3.8
271.02472	46.7
272.02997	6.2
272.08875	0.4
273.03561	0.4
285.04010	10.1
285.07211	0.6
286.04718	3.2
287.05420	1.5
299.01950	72.8
300.02658	31.6
301.03107	2.0
306.07617	0.6
307.08258	0.5
313.03522	0.7
314.04303	66.0
315.05069	100.0
316.05402	8.1
357.06198	0.6
357.13666	0.9
385.27481	1.4
387.20129	0.9
405.26160	0.6
519.11426	58.7
519.24353	3.9
519.32996	7.1
520.11761	8.8
520.23694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26868	0.8
51.34991	0.7
57.03313	1.0
59.01250	20.5
61.98693	3.1
69.03330	1.2
69.89777	3.7
71.01254	17.5
72.01616	0.9
72.99175	2.9
73.02818	5.9
75.00726	1.1
78.95782	3.3
81.03353	1.7
83.01250	2.7
85.02814	8.0
87.00757	7.2
87.04356	1.0
89.02316	11.0
93.03338	11.6
95.01262	2.2
95.04917	2.2
98.20537	1.3
99.00764	11.3
101.02327	11.0
103.53176	0.8
105.03346	7.1
105.41171	0.8
106.04128	1.9
108.02110	1.1
108.83472	0.7
111.00780	4.4
111.04396	0.9
113.02332	12.4
117.03341	20.5
118.73800	0.9
119.03406	2.4
119.04917	34.8
120.05257	1.6
121.02827	2.3
121.06488	4.8
123.04409	87.4
124.04751	4.2
125.02309	2.4
131.03421	1.8
131.04921	2.7
132.05682	1.5
133.02831	1.6
133.06477	7.2
134.03621	2.4
135.04388	2.4
136.17459	0.9
137.02405	1.8
139.03867	1.0
141.09138	1.3
143.03398	2.1
145.02856	100.0
146.03166	4.9
147.04405	3.5
149.04488	4.0
149.05986	40.3
149.07196	1.8
150.06300	2.0
151.03853	1.4
152.99464	2.6
159.04507	0.9
161.02344	2.1
161.04573	2.2
161.05980	18.8
162.03026	0.8
163.03914	37.8
164.04268	1.2
167.07045	12.2
171.00571	1.3
175.03937	1.2
177.01794	0.8
177.05492	6.8
179.03305	2.2
187.02446	1.9
187.03970	1.3
191.05556	2.0
192.05992	0.9
193.04958	4.0
205.05014	14.8
206.05322	1.2
211.06058	13.5
225.14897	2.1
233.06657	1.2
235.06073	5.5
265.07178	10.9
267.32333	0.9
307.08243	12.6
307.44769	0.9
308.08478	1.1
325.09164	1.2
355.10263	1.1
357.09622	1.2
387.20291	5.8
388.20319	1.0
471.31177	2.3
475.16058	6.0
477.20056	1.2
519.14966	47.7
519.24164	21.4
519.32684	7.9
520.14923	7.2
520.25262	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1509
Annotation	LETHEDOSIDE B
Peak:m/z	Relative Intensity
53.13662	0.4
57.03304	0.6
58.40981	0.4
59.01254	16.4
61.98708	2.6
62.55886	0.4
70.65169	0.9
71.01255	6.7
71.04884	1.5
72.01614	0.6
72.99168	0.7
73.02824	2.0
75.00747	2.7
78.95757	0.4
83.01246	1.3
83.04920	0.4
85.02827	2.2
87.00746	0.8
89.02328	3.5
93.03343	2.7
95.01250	0.8
96.09574	0.4
97.06474	0.7
99.00771	2.3
101.02325	4.9
107.04931	0.4
108.02049	0.5
109.02851	4.5
111.00705	0.5
113.02325	3.6
117.03340	1.1
119.03386	1.3
119.04919	3.9
121.02824	3.2
122.03625	1.5
123.04429	3.8
125.02362	0.4
131.04840	0.4
132.02072	0.7
133.02869	0.9
134.03606	1.9
135.04434	3.5
136.01563	0.7
137.02315	2.3
137.05936	0.5
139.03923	2.5
143.04848	0.5
145.02895	3.6
146.03584	0.6
146.84038	0.4
147.04436	2.3
149.02359	5.2
149.04424	0.5
149.05978	0.7
150.03125	1.7
151.03935	2.6
158.03619	0.5
159.04411	1.7
160.01598	2.7
161.02377	3.8
161.04451	1.0
161.05890	0.9
162.01744	0.5
162.03149	9.0
163.03889	3.1
165.05502	0.8
171.04454	0.9
171.06496	1.0
174.03151	1.3
175.03926	4.8
176.04671	0.7
177.01852	0.9
177.05498	4.3
179.03465	6.5
179.05067	0.4
180.03772	0.6
180.78650	0.4
181.05022	0.9
187.03867	0.6
189.05472	3.5
192.04173	0.6
193.05009	1.6
205.05016	0.5
207.06538	1.2
226.06273	1.4
227.07080	1.8
235.05948	0.6
237.06131	0.7
239.07120	0.9
250.06210	0.5
251.07127	0.8
253.05081	0.4
255.06602	2.7
256.07089	0.6
265.07114	0.7
267.06610	0.7
268.07315	0.6
269.08203	1.1
279.06543	1.9
280.07288	0.7
281.08722	0.9
297.07678	39.0
298.08002	4.0
307.08163	0.6
309.07816	3.1
319.24261	0.9
327.08707	2.5
337.09338	1.2
357.09790	100.0
358.10129	11.2
387.20209	0.6
405.26486	0.6
415.23410	3.2
439.94168	0.5
475.16193	1.0
518.31946	0.6
519.15247	5.4
519.24030	2.4
519.33258	5.8
520.15521	0.8
520.31781	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.151
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	0.6
59.01252	13.0
61.98702	4.7
62.38273	0.4
63.06621	0.3
65.03831	0.4
65.63761	0.4
68.99681	1.9
69.21791	0.3
70.39059	1.1
71.01258	5.5
72.99180	1.2
73.02830	1.5
75.00753	0.7
77.03838	0.6
79.05412	1.6
81.03323	0.5
83.01266	0.5
85.02823	2.0
87.00725	0.9
89.02327	2.6
91.01787	1.3
91.05407	3.9
93.03329	6.6
95.01324	0.3
95.04913	2.9
99.00761	1.2
101.02331	2.6
103.05410	3.2
105.03341	7.7
107.04919	2.9
108.02058	1.4
109.02847	3.4
112.42596	0.3
113.02364	2.3
117.03347	1.9
118.03651	0.4
119.01296	0.5
119.03398	1.2
119.04910	5.7
121.02847	14.0
122.03161	0.5
123.04419	5.9
129.03358	1.0
133.02872	3.6
134.03642	0.9
135.04427	3.6
136.01540	1.3
137.02296	1.0
143.03424	0.8
143.04506	0.9
145.02873	5.2
146.03181	1.7
147.04425	95.2
148.04727	4.1
149.02357	11.4
149.05974	2.9
150.03192	2.4
151.03918	9.2
152.04309	0.4
161.02348	3.7
161.04446	1.1
161.05716	0.4
162.03098	1.3
163.03915	3.1
165.01851	4.3
165.05415	0.5
176.04587	0.4
177.01852	4.3
177.05511	0.7
178.02646	0.7
179.03421	100.0
180.03770	5.1
182.02104	0.4
191.03455	6.1
193.01213	0.4
195.02899	0.5
207.06535	1.7
208.03743	0.9
209.04494	17.6
210.04813	0.8
215.03429	0.5
242.02180	0.6
243.02950	2.3
255.03056	0.6
257.04733	0.4
270.01700	0.7
271.02484	3.5
285.04019	1.0
299.01962	3.0
300.02689	1.1
306.07654	0.5
307.08109	1.4
308.08505	1.0
309.09494	2.7
314.04343	3.1
315.05060	3.3
327.08807	2.3
339.12250	0.7
357.09763	9.5
357.13531	1.0
357.26453	0.5
358.10098	1.1
489.13901	0.4
511.93289	0.4
519.11517	3.7
519.16309	1.4
519.24707	0.9
519.32892	12.5
520.11377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1719
Annotation	Swertiapunimarin
Peak:m/z	Relative Intensity
53.69294	2.4
59.01253	47.2
69.03336	2.3
71.01257	47.0
71.51694	3.3
72.99194	4.7
73.02824	7.5
83.01246	3.1
85.02856	12.4
86.52480	2.5
87.00734	11.2
89.02319	38.6
95.01262	3.2
99.00744	3.5
101.02313	29.9
107.04919	87.7
108.05219	3.8
110.03793	2.3
111.00788	2.8
113.02331	25.8
119.03384	12.7
125.02315	3.5
126.84853	2.3
131.03384	7.6
132.02074	3.9
133.06465	11.6
134.03613	10.5
143.03371	7.6
149.04417	3.0
151.07594	17.7
160.01549	16.8
161.02217	4.6
161.04471	11.3
175.03943	26.5
177.05495	9.9
179.05487	20.9
191.07112	4.6
193.04980	22.9
195.06583	15.4
216.82104	2.3
221.06572	10.5
235.06052	8.5
285.03958	11.0
311.09286	2.4
318.04849	3.8
519.17151	100.0
520.17468	14.9
542.14771	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	519.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97519	0.8
59.01255	5.3
69.40844	1.9
69.41247	3.5
71.01263	6.1
73.02803	2.1
85.02813	2.4
89.02322	2.0
93.03333	1.5
97.02802	0.9
99.00723	1.0
101.02316	2.4
108.02074	1.6
113.02325	2.4
117.45168	0.8
119.03339	1.0
121.02837	6.4
122.03650	3.9
123.04358	1.4
127.15471	0.8
134.03596	2.1
136.01556	100.0
137.02255	3.4
145.02861	1.8
149.05978	1.3
151.03911	98.0
152.04266	4.8
152.05455	0.9
160.05203	1.9
161.04427	1.4
162.03178	1.4
163.03897	1.7
177.05371	1.4
184.42819	0.8
328.10519	0.8
330.80237	1.1
342.11081	4.5
357.13422	74.7
358.13705	9.1
406.75668	0.8
513.88116	0.8
519.14795	1.1
519.24121	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.9
58.00459	3.2
59.01249	100.0
60.48477	1.9
61.98700	6.2
69.81249	8.3
71.01253	77.0
71.04893	2.5
72.99179	6.8
73.02824	5.8
75.00731	3.3
83.01257	4.5
85.02806	15.6
87.00744	8.5
89.02316	93.2
92.83472	2.2
93.03356	3.1
95.01266	7.1
99.00759	12.3
101.02320	40.0
101.02936	3.9
108.02043	4.5
113.02338	30.3
119.03388	34.3
119.04906	17.2
121.02840	4.8
123.00844	2.5
123.04378	3.7
123.20894	2.0
131.03358	2.8
134.03621	2.8
135.04370	3.2
136.01581	3.2
137.02348	3.2
139.00294	2.1
143.03389	6.4
145.02861	7.4
147.04414	18.8
149.04443	3.0
151.03889	11.0
152.01031	3.4
153.01776	2.6
160.01607	2.9
161.02339	5.7
161.04443	9.1
163.03947	17.3
175.03986	2.5
177.01855	2.6
177.05574	2.6
179.03415	21.1
179.05548	12.7
181.04953	4.4
195.64873	2.1
203.07057	5.4
209.04446	2.7
221.08261	3.5
229.43584	2.4
235.07425	2.6
253.08545	3.9
263.07034	6.3
279.06735	2.4
281.08249	14.2
291.06705	6.5
293.08267	4.7
294.09097	3.2
295.09616	2.6
296.10510	5.1
308.10568	3.9
309.07700	60.0
309.11133	3.9
310.08017	7.9
311.09274	2.6
323.09146	10.5
324.09979	24.2
325.09949	3.8
328.14932	2.4
339.08722	6.8
339.12332	61.5
340.12689	7.0
357.13382	8.3
519.14832	5.3
519.23700	10.0
519.32440	15.0
520.24597	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	519.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91885	0.5
57.03325	1.4
59.01245	7.3
61.98699	10.2
69.44731	3.3
78.95774	29.9
83.04908	0.8
86.59963	0.6
95.04889	1.3
96.96835	2.1
109.06441	0.7
111.08039	16.2
113.09560	1.0
116.78568	0.6
135.11681	0.6
137.09619	1.3
149.09579	1.0
152.99487	44.8
167.10655	3.2
171.00574	2.8
177.12794	3.7
179.10706	1.7
191.14328	1.0
193.15912	3.4
195.13841	10.7
203.14412	0.7
205.15932	1.5
221.15375	0.8
227.03201	6.5
245.04260	2.5
247.20520	3.2
249.15053	0.9
253.90662	0.6
267.16013	6.2
273.18616	1.6
291.19650	100.0
292.19986	12.5
325.01749	0.6
391.21552	0.7
427.18964	2.1
439.32315	0.8
457.33127	0.8
501.32120	1.0
519.23651	80.7
519.33008	19.6
520.23932	15.6
520.33264	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	519.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84357	0.9
51.69400	0.9
51.69631	0.9
57.03317	2.4
58.00458	1.3
59.01250	22.9
60.99173	1.4
61.98716	5.1
63.23959	0.9
66.12969	1.0
71.01244	1.5
71.04897	2.2
73.02811	1.2
78.95776	33.3
83.04908	2.2
95.04918	1.8
96.96857	1.9
97.06448	1.9
98.19814	3.4
109.06489	1.5
111.08036	12.9
111.78903	0.9
119.04889	1.0
121.06501	1.0
136.02589	0.9
137.09610	2.2
152.99489	44.1
153.99866	1.1
167.10699	3.4
171.00560	3.5
177.12775	3.3
179.10678	1.9
189.12794	1.4
193.15926	1.1
195.13844	8.7
203.59552	1.0
221.15370	2.1
227.03261	4.9
245.04196	2.1
247.20618	3.0
249.15077	1.2
251.16414	1.9
253.14401	3.6
267.16016	2.5
273.18439	2.3
291.19656	100.0
292.20044	10.2
293.21295	1.5
294.21478	1.2
301.87906	1.0
308.40375	1.0
357.20282	0.9
385.28198	1.5
389.24417	1.5
406.28387	1.2
418.24811	1.3
421.31042	3.8
427.18912	1.5
439.32010	5.8
441.33856	2.3
454.26981	1.6
455.31934	1.4
457.33109	7.2
459.29742	1.2
465.29840	1.5
467.31650	1.5
473.32550	5.2
475.33997	3.6
483.31360	0.9
485.32596	8.3
486.33209	1.2
501.31479	1.8
518.32074	3.6
519.23596	88.3
519.32977	55.3
520.23938	14.1
520.33344	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	519.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.1
59.01253	17.0
60.48443	0.8
61.98707	3.9
65.54237	0.7
69.03318	0.8
70.72887	1.9
71.01234	1.7
71.04888	4.2
78.95778	38.5
81.39047	0.7
83.04880	2.2
89.11607	0.7
93.03326	1.2
95.04886	1.7
96.96857	3.9
97.06504	1.8
109.06450	2.4
111.08037	15.1
114.70071	0.7
117.87666	0.7
119.04851	0.8
123.08011	0.8
137.09602	0.9
145.02873	1.0
149.09596	0.9
152.99500	49.9
153.09120	1.0
167.10658	3.8
171.00552	3.5
177.12750	2.9
179.10669	2.2
185.11868	0.8
189.12811	0.9
191.14368	2.7
193.15865	3.7
195.13853	9.6
196.14227	1.2
205.15932	2.3
207.13814	1.2
209.15446	1.4
217.66608	0.7
221.15453	1.1
225.72839	0.7
227.03247	5.7
245.04259	2.4
247.20673	4.9
249.14899	1.0
251.12888	1.8
253.14474	6.4
253.93483	0.8
267.16040	7.9
273.18497	2.3
291.19678	100.0
292.20050	8.2
293.21204	1.0
385.27490	4.3
425.30438	0.8
427.18777	1.6
436.39011	0.7
439.32385	2.6
441.29892	1.0
445.20044	0.8
457.33179	9.0
473.32687	2.7
474.32855	1.0
475.34033	2.8
485.32736	3.1
501.32458	2.0
518.31903	5.7
519.23688	76.2
519.33124	71.9
520.24036	9.7
520.33533	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	519.2448
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
55.01742	0.5
57.02354	0.5
57.03317	0.6
58.00452	0.6
59.01254	16.0
71.01254	21.8
72.99171	1.0
73.02819	6.4
83.01249	1.9
83.04900	0.7
85.02821	7.3
87.00745	1.2
89.02325	12.3
95.01255	1.6
99.00758	8.4
101.01709	0.8
101.02330	13.8
112.01543	0.7
113.02335	13.1
114.02697	0.6
119.03392	4.1
123.08051	6.3
125.02391	0.9
131.03410	1.2
137.09615	2.0
143.03400	2.3
148.20802	0.5
149.04480	3.2
159.02887	2.4
161.04466	15.6
163.11212	5.6
171.11670	0.5
173.09648	0.6
176.58917	0.6
179.05515	4.3
189.12764	10.6
190.13133	1.2
191.05603	2.9
198.91220	0.5
207.13850	13.0
208.14076	1.6
225.14891	3.9
233.06505	0.8
284.03363	1.6
299.05621	4.1
316.41870	0.6
325.05548	1.9
339.12231	0.7
351.05609	0.9
369.19046	0.6
387.20233	6.1
431.19159	0.7
501.23608	1.7
514.08875	0.6
519.24451	100.0
520.24860	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2448
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
55.01753	1.6
56.47695	0.7
57.03293	1.8
58.00466	2.3
59.01250	38.8
61.98701	4.3
71.01253	46.4
71.51306	0.8
72.01622	1.2
72.99185	5.8
73.02819	16.7
75.00735	2.1
78.95717	0.8
81.03395	1.1
83.01244	5.2
83.04877	1.0
85.02824	14.4
85.70189	0.7
87.00755	3.3
89.02319	29.8
93.03336	2.0
95.01286	3.9
97.02811	1.1
99.00760	23.8
101.02323	28.2
109.02854	1.4
111.00739	1.0
111.04416	1.1
113.02331	23.1
113.26417	0.8
114.05438	0.7
117.03318	4.0
119.03386	8.0
119.04896	4.8
121.02815	0.8
123.04337	0.9
125.02348	1.9
131.03418	4.1
133.02823	1.3
134.03642	3.2
135.04431	1.7
136.01555	1.9
137.02342	3.3
137.09589	1.6
143.03409	2.9
145.02853	19.0
146.03145	1.5
147.04414	0.9
149.02472	1.0
149.04462	7.6
149.05896	1.8
150.03146	1.0
151.00317	1.6
151.03963	2.6
151.11154	1.7
152.99352	0.8
153.12804	1.0
159.02983	2.2
160.01561	1.2
161.02397	1.9
161.04451	9.7
161.05746	1.4
163.03912	3.7
175.03981	1.2
177.01788	2.6
178.53342	0.9
179.03548	1.0
179.05566	2.6
191.05591	5.1
205.05014	1.1
207.13843	2.0
225.14946	9.6
233.06702	1.7
256.79501	0.8
265.06897	1.0
299.02032	1.3
301.02921	1.2
307.08234	5.7
316.02301	1.1
357.14041	1.7
387.20255	39.2
388.20517	4.6
391.19846	1.0
457.15070	4.3
475.16467	1.8
479.08069	1.1
519.24548	100.0
520.11285	3.1
520.24799	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	519.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.5
57.03311	1.6
58.00458	1.9
59.01251	32.0
61.98690	0.6
69.88358	2.7
71.01253	36.1
72.01609	0.7
72.99179	4.3
73.02438	1.1
73.02817	11.5
74.02352	1.5
74.03197	0.7
74.65297	0.6
75.00749	2.2
83.01239	3.5
85.02827	12.8
87.00781	3.6
87.01251	0.8
89.02319	24.7
95.01250	3.4
96.95897	0.5
97.02810	1.0
97.35459	0.6
99.00757	23.8
99.04403	0.8
100.01117	0.9
101.02324	21.5
109.02896	0.7
111.00748	0.7
113.02328	18.3
116.03381	1.6
116.92715	1.4
119.03384	7.4
121.02827	1.0
122.89017	0.6
123.08054	1.0
125.02374	1.5
129.01819	0.6
131.03403	3.4
136.05104	0.6
143.03436	1.2
149.04468	7.2
151.03958	0.7
151.07541	1.6
152.08351	5.4
152.28545	0.6
153.09120	1.0
159.02905	1.3
161.02359	0.9
161.04460	8.8
163.03883	0.9
163.11177	1.2
177.01797	1.6
179.05537	2.6
189.12729	1.4
191.05515	7.9
193.03442	0.8
193.05093	0.6
207.13870	2.1
210.12566	0.6
225.14836	3.6
233.06618	2.1
284.03259	1.2
285.04025	3.5
286.04434	0.6
293.08698	0.9
323.18640	0.8
351.05707	1.2
372.17609	1.2
387.20267	37.1
388.20721	3.7
519.24457	100.0
520.24786	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	519.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15008	0.7
55.01751	1.6
57.03305	2.2
58.00455	2.7
59.01250	42.6
61.98693	1.4
66.51608	0.7
69.03316	0.8
69.42783	4.8
69.43199	1.5
71.01254	43.6
71.04884	0.9
72.01580	0.9
72.99171	3.3
73.02821	15.0
75.00746	2.0
83.01266	5.7
83.04877	0.8
85.02818	16.3
87.00751	4.8
89.02317	38.7
90.98495	0.8
91.92193	0.7
93.03340	0.9
95.01284	4.5
97.02822	1.4
98.52213	0.9
99.00754	42.5
101.02327	23.1
102.02682	0.8
105.75374	0.7
111.00777	1.0
113.02325	26.1
114.02648	0.8
118.97966	6.1
119.03394	8.3
119.04852	5.8
122.03712	0.8
123.04396	1.5
125.02361	1.1
129.01823	3.0
131.03383	6.1
134.05994	0.7
137.02325	2.4
137.09628	1.1
143.03389	2.7
145.02896	1.3
149.04456	22.2
151.03899	1.8
159.02887	1.2
161.02345	1.3
161.04488	10.3
162.04761	1.0
163.03885	4.2
163.11186	1.1
164.03424	1.2
167.03398	1.0
168.02983	1.1
173.04492	0.8
174.99017	0.7
175.03886	0.9
179.03380	0.9
179.05527	2.3
180.04234	1.5
191.05536	12.7
191.07129	1.2
193.04984	1.3
195.06592	1.6
196.25948	0.8
207.13834	2.7
225.14899	6.1
233.06607	5.3
271.82465	0.8
293.08881	3.4
387.15207	1.7
387.20236	31.8
388.20715	2.7
499.11444	0.8
519.24493	100.0
520.24805	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	519.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43171	0.7
57.03330	4.7
58.00459	0.7
59.01254	31.3
61.98704	3.3
71.01253	8.2
71.04906	3.1
72.99205	1.0
73.02826	5.8
75.00763	1.4
78.44916	0.7
83.01318	1.0
83.04900	1.7
85.02831	4.4
87.00748	1.6
87.04391	0.9
89.02322	4.8
97.02819	0.9
97.06462	0.9
99.00786	1.0
101.02323	5.3
113.02322	4.2
118.62880	0.8
119.03411	2.3
119.08637	1.1
120.11154	0.8
136.01566	1.0
143.03424	1.6
145.02875	2.5
161.04520	2.7
163.03941	1.1
179.05568	1.3
183.13948	0.8
195.13695	1.0
197.01990	0.8
213.14934	7.6
305.21439	2.4
355.26520	1.8
357.25018	2.6
370.55377	0.8
373.24805	1.0
373.28824	4.7
375.26865	2.1
389.28867	1.7
390.93329	0.8
391.30139	1.4
393.27908	1.8
399.25171	0.8
405.27792	1.3
407.29703	3.2
409.31351	2.5
419.29593	1.8
421.31799	0.9
425.30692	1.4
427.32452	3.2
437.30957	2.1
439.32285	14.3
440.32748	2.7
441.30045	1.1
455.31689	3.0
456.32111	1.2
457.33276	16.7
458.33948	3.2
471.31125	0.9
473.32959	1.4
475.34216	22.0
476.34711	3.4
477.23737	1.9
483.31250	2.5
489.32645	2.2
493.06186	0.8
501.32367	18.5
502.32712	3.5
519.33423	100.0
520.22253	1.0
520.33826	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	519.333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.0
58.76471	0.6
59.00951	1.1
59.01248	18.6
60.01546	0.7
61.98706	4.6
66.09487	0.6
71.00257	1.2
71.01243	5.6
71.04894	18.0
73.02814	2.2
83.03815	0.7
85.02826	2.5
87.00777	1.1
89.02312	1.9
99.00761	1.7
99.04399	3.7
101.02322	3.9
102.07732	0.6
113.02330	2.5
117.03346	0.9
119.04860	0.7
126.02273	0.7
133.69598	0.7
137.02342	0.9
143.03403	1.2
145.02849	2.1
147.04471	0.8
152.01024	0.9
161.04417	1.0
163.03902	0.8
179.03482	0.8
191.05415	0.7
256.74384	0.8
285.04504	1.0
305.22702	1.7
323.23621	0.9
371.25888	1.6
385.27420	2.3
391.30170	2.2
393.28006	1.3
395.29691	1.1
405.27444	1.1
407.29739	1.0
409.31015	1.9
417.27844	2.4
419.29352	1.7
423.28998	2.5
425.30566	8.0
426.31131	1.0
435.28934	1.1
437.30594	8.6
438.30725	1.6
439.32336	0.9
441.30136	1.3
455.31674	1.8
457.33228	100.0
458.33582	18.0
459.29581	1.5
471.31250	1.5
477.30679	1.2
489.32266	7.9
490.32581	2.0
501.32068	4.5
519.33234	17.4
520.33441	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	519.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91612	0.8
58.00466	5.1
59.01245	4.0
61.98708	1.1
69.37675	7.4
71.01260	1.9
71.04893	6.0
73.02823	1.5
78.95776	3.8
94.37445	0.8
95.82320	1.1
97.06462	3.6
98.20533	1.9
101.08344	0.8
114.14215	0.9
123.07996	1.2
152.99449	3.0
171.00516	1.3
179.58990	0.9
245.04276	3.7
253.16025	1.2
255.17444	1.3
263.16586	1.6
273.18665	2.2
291.19547	3.1
294.21616	2.0
367.26971	1.4
385.28763	1.1
387.30670	2.5
391.26166	1.6
406.28769	13.6
407.25168	2.2
408.26260	1.1
409.27701	6.6
411.29208	1.3
413.30511	1.3
419.29526	1.9
421.31210	8.0
422.31656	1.8
423.33478	7.9
424.33527	1.8
425.30618	1.2
436.26294	1.2
437.30634	4.2
438.30707	1.2
439.32193	51.0
440.32565	9.6
441.30060	3.1
455.31732	4.3
455.37903	1.2
457.33221	3.9
465.30200	1.8
467.31757	8.8
468.31799	2.7
471.31311	1.5
473.32724	18.1
474.33002	4.1
475.33963	2.0
483.30969	2.2
485.32736	100.0
486.33136	22.2
501.32199	49.4
502.32452	10.5
517.31580	2.2
519.33832	13.2
520.33789	2.5
529.31812	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	519.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	3.1
59.01254	18.4
59.98389	5.9
60.99175	3.9
61.98702	6.6
70.80858	1.8
71.01255	4.4
71.04891	19.0
73.02820	6.3
76.98686	7.0
77.63770	2.1
78.95784	3.3
83.04907	8.7
109.06458	2.7
110.65347	2.1
111.09071	1.8
119.40282	2.1
128.34822	1.8
131.62132	1.9
171.60443	2.0
172.31860	1.9
184.44940	2.1
189.12833	3.4
205.15952	5.3
216.40385	2.7
316.45773	2.2
321.22351	3.7
329.25751	2.1
407.29639	5.6
413.30853	4.8
414.30389	2.5
421.31409	3.3
423.32880	13.7
437.30521	3.0
439.32300	13.2
441.33783	47.2
442.34128	7.5
455.32114	6.8
457.33380	35.7
458.33728	6.8
461.95990	2.3
471.31836	2.5
473.33359	2.6
475.34409	6.0
485.32681	100.0
486.33112	20.1
501.32184	29.7
502.32785	5.5
516.61194	2.2
519.33362	89.7
520.33899	16.3
545.87909	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25103	0.7
55.62020	0.6
59.01251	100.0
60.01589	0.9
61.98694	0.9
66.91351	0.8
69.97769	0.7
70.72353	1.6
78.95778	35.4
96.96838	4.0
150.97945	0.9
152.99495	68.4
153.99834	7.7
154.99916	1.0
171.00597	2.7
312.76556	0.7
333.24393	3.4
341.86951	0.8
351.25546	1.2
431.22211	1.6
432.22314	9.5
433.23019	1.1
439.32013	0.7
459.34964	2.4
473.62509	0.7
519.26196	4.9
519.33539	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	519.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01605	1.1
61.98709	1.1
69.27749	3.6
73.62933	0.4
78.95798	1.3
88.05510	0.4
98.19807	0.7
117.03371	1.1
119.04952	0.9
120.35844	0.5
143.71048	0.4
145.02890	1.3
152.99561	1.4
163.03998	0.8
191.36259	0.5
195.32182	0.5
397.29980	0.5
447.24066	1.6
519.33960	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	519.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11875	1.0
56.44833	0.8
59.01253	100.0
60.01568	1.8
70.66648	2.2
78.95776	1.6
83.63553	1.0
99.00783	0.9
152.99525	1.0
220.80792	0.8
372.99615	1.1
500.94141	0.8
519.32751	1.2
543.21088	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97610	1.2
59.01252	100.0
78.95773	3.0
94.31215	1.0
102.85625	1.1
106.91422	1.1
152.99504	1.8
157.55067	1.0
193.50401	1.0
232.57111	1.2
519.32605	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96762	0.3
54.97993	0.2
55.82027	0.2
59.01252	3.2
61.98703	100.0
69.68050	1.2
71.01254	2.4
73.02818	0.5
85.02831	0.9
87.00761	0.2
89.02312	1.3
98.19878	0.5
99.00756	0.6
101.02346	0.9
113.02363	0.9
113.86215	0.3
116.07001	0.5
119.03445	0.5
119.04904	0.6
120.30942	0.3
121.02830	0.5
123.04402	1.6
125.32765	0.2
133.02866	0.4
135.04431	0.5
143.44110	0.3
147.04390	1.5
148.04854	0.4
149.02339	0.3
153.05473	1.3
161.02347	0.4
161.04515	0.6
163.03998	0.7
177.01833	0.4
179.03426	1.5
180.03810	0.6
190.02641	0.7
205.05064	0.9
213.22499	0.2
222.78738	0.3
237.83276	0.2
244.16754	0.2
255.07060	0.3
255.09834	0.2
288.21237	0.3
341.19730	0.4
349.10806	0.3
367.10428	1.0
388.20648	0.4
427.42554	0.3
519.25439	0.3
519.32922	1.2
519.61505	0.3
520.24866	0.8
520.32501	1.9
521.26154	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.0
61.28223	0.3
63.85778	0.3
71.51561	0.3
76.82175	0.4
78.95779	44.6
86.43481	0.3
87.13541	0.3
96.96848	5.7
97.74173	0.3
150.97960	1.9
152.99496	100.0
153.99857	1.9
154.37868	0.3
171.00598	3.3
279.23349	0.9
433.23615	22.5
434.23950	2.9
520.26709	3.5
521.26819	0.9
538.46729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29810	1.9
55.18765	2.3
59.01248	40.8
61.98700	3.5
71.01247	25.2
71.52238	2.1
71.70792	2.0
72.99178	4.8
73.02813	6.3
75.00745	2.4
83.01257	3.8
85.02824	12.7
87.00747	6.5
89.02317	15.9
89.03864	2.5
92.54766	1.9
93.03293	2.4
93.06933	2.3
95.01261	3.9
99.00755	9.7
101.02328	18.5
106.04098	4.1
107.04956	2.4
108.02072	2.9
113.02333	13.6
116.70584	2.0
117.03345	20.5
119.03410	4.9
119.04912	16.5
121.02874	4.7
121.06481	45.0
122.06791	2.1
123.04426	3.1
125.02319	2.1
132.02071	10.1
133.02818	7.0
134.03629	55.3
135.04417	16.2
136.01492	2.5
137.02328	4.3
139.03870	2.8
143.89507	1.9
145.02855	72.4
146.03152	3.2
147.04430	13.1
148.05154	5.5
149.05972	15.4
150.03120	11.1
151.03873	2.8
160.01573	53.5
161.02301	8.1
161.04460	3.8
163.03949	15.7
164.04601	3.1
165.04120	3.7
165.05486	62.1
166.05838	3.3
173.05962	5.8
175.03922	63.1
176.04707	32.8
177.01843	7.0
177.05405	3.9
178.02588	8.8
179.03438	11.5
191.03308	2.4
191.05286	3.1
191.07050	38.3
192.04239	4.3
192.07224	2.8
193.04993	74.8
194.05334	4.0
195.06541	4.6
198.75043	1.9
207.06546	11.0
217.05017	3.7
220.03690	5.4
235.06084	100.0
236.06407	5.7
251.05547	4.1
265.07147	48.6
266.07587	2.2
281.06644	7.0
285.34448	2.2
285.46503	1.9
295.05026	4.1
295.08209	67.7
296.08563	7.4
299.46637	2.1
307.08188	19.8
313.25943	2.1
316.01776	2.0
337.09329	3.3
345.11877	4.2
355.10248	17.6
356.10794	3.1
359.20654	5.6
359.97803	2.1
446.16873	4.5
473.14410	31.1
474.14963	2.4
503.15482	3.4
503.24890	2.9
521.16589	18.1
521.25885	46.4
522.17242	3.7
522.25824	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	521.1666
Annotation	Albidoside
Peak:m/z	Relative Intensity
53.69331	1.0
56.70309	1.0
57.03325	1.4
57.97552	1.0
59.01249	14.3
71.01250	14.6
71.51097	1.2
71.51488	1.1
72.99171	2.8
73.02812	2.7
83.01257	1.8
85.02808	4.7
87.00758	3.2
88.98670	1.6
89.02301	3.6
93.03319	1.9
95.01218	1.2
96.95849	2.5
99.00748	3.0
101.02329	6.0
108.02048	2.6
108.09835	1.3
109.02853	2.1
113.02336	7.5
117.03344	25.5
119.03457	1.5
119.04913	31.0
121.02812	2.1
123.04388	3.5
125.02399	1.8
129.01817	1.0
129.25722	1.1
132.05724	1.6
133.02846	4.6
133.06470	7.2
134.03572	1.4
135.04405	3.3
135.08054	3.0
137.02316	1.6
145.02853	100.0
146.03346	4.4
147.04408	5.1
149.02295	2.1
153.09090	2.0
161.02348	17.4
161.05968	14.6
162.03156	16.5
163.03922	47.8
164.04399	1.2
165.05463	1.3
167.03375	2.4
176.95322	1.2
177.05490	14.2
179.03329	2.2
179.07025	1.3
180.04140	1.4
187.03885	1.9
191.07193	1.1
195.06490	4.1
197.07967	1.7
205.05006	26.1
206.05309	1.1
235.06087	17.4
236.06424	1.3
265.04413	2.1
265.07153	42.4
266.07510	3.1
306.29440	1.1
325.09283	6.2
327.12192	1.4
359.14828	1.4
364.88629	1.2
503.15515	22.8
503.22202	2.1
504.16013	4.4
521.17334	14.4
521.25757	2.8
522.17853	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.9
57.03305	1.0
58.00464	1.9
59.01248	36.8
65.03835	1.2
67.79600	0.7
69.03319	2.7
71.01253	25.8
72.99180	3.0
73.02814	3.1
81.03336	1.8
83.01240	2.2
85.02813	5.0
87.00761	1.3
89.02312	20.7
89.03838	1.1
93.03329	2.2
93.06998	2.4
95.01282	2.0
95.04895	1.5
98.19662	1.5
98.82711	0.7
99.00754	4.0
101.02328	15.2
103.05408	1.4
105.03354	0.8
106.04133	4.9
107.04897	1.5
108.02017	0.9
111.00753	1.4
113.02327	11.8
117.03354	4.9
119.03391	8.1
119.04874	7.9
121.02855	2.9
121.06482	58.8
122.06808	2.7
123.04409	1.6
125.02258	0.8
131.03378	1.1
132.02066	4.3
133.02840	9.9
133.06468	1.0
134.03633	62.6
135.04446	11.0
136.01527	3.1
137.02344	2.8
139.03909	1.0
139.61452	0.7
143.03392	1.7
145.02840	10.0
147.04390	11.1
148.05188	7.1
149.02347	1.3
149.05992	16.3
150.03081	1.3
150.06342	1.0
151.03893	2.4
151.07600	1.0
158.02460	0.7
158.03586	3.6
160.01575	37.9
160.05258	1.9
161.02339	6.8
161.04440	1.8
161.05856	1.2
162.03053	1.2
162.06737	1.0
163.03902	4.2
163.07552	1.3
164.04568	0.9
165.05478	55.4
166.05821	3.0
173.05977	4.0
174.03188	1.6
175.03925	57.0
176.04697	32.8
177.01840	7.4
177.05435	4.4
178.02640	9.8
178.27992	0.7
179.03401	7.5
179.05418	1.7
183.10109	0.9
188.04588	1.0
189.05498	2.2
190.06247	1.4
191.07063	47.3
192.04181	3.6
192.07375	2.0
193.04985	78.9
194.05321	3.9
202.02725	1.3
205.05061	1.0
205.08580	1.4
207.06548	16.0
213.07634	0.9
217.05013	4.8
220.03717	6.6
221.04507	2.9
221.08232	1.0
225.11308	1.2
229.69499	1.0
235.06085	100.0
236.06339	5.7
245.08064	0.9
247.06084	0.8
251.05576	3.9
265.07141	39.5
266.07462	2.5
281.06546	5.2
282.06833	0.9
283.49118	0.7
295.08215	60.7
296.08206	4.5
309.94495	0.8
310.28354	0.8
311.12866	1.3
337.09125	1.0
341.09464	1.2
341.13922	3.8
345.12003	3.0
355.10260	14.6
356.10718	1.7
389.21970	1.4
408.00287	0.7
460.80640	0.7
478.22537	2.0
521.15131	3.7
521.22455	6.0
522.22223	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	521.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93719	0.8
53.52726	0.6
54.96801	0.6
55.01761	1.5
55.50659	0.7
57.03318	0.9
58.00471	3.5
59.01250	100.0
60.01590	0.8
68.72155	0.6
71.01253	68.2
72.01608	1.1
72.99181	5.0
73.02840	2.6
81.21309	0.7
83.01264	2.3
85.02819	10.4
87.00319	0.8
87.00736	4.3
89.02315	91.8
90.02657	1.2
95.01264	5.2
98.20595	1.6
99.00781	2.2
101.02321	44.9
102.02664	0.8
108.02069	2.0
109.02864	1.8
113.02333	32.4
114.02715	1.1
117.03363	1.4
119.03391	40.2
121.02888	2.3
121.06501	3.8
122.03656	1.1
123.04411	2.7
125.02312	1.1
131.03377	3.9
134.03674	4.0
135.04445	1.0
137.02364	1.1
143.03427	8.4
145.02887	3.1
147.04474	1.3
148.05267	0.7
149.04437	4.3
151.03969	1.1
151.71690	0.7
158.03610	0.8
159.04477	2.7
160.01657	1.5
160.05200	6.6
161.02390	1.1
161.04495	7.3
161.05959	2.2
163.03918	1.7
165.05511	2.9
172.05252	3.7
173.05907	3.3
175.03963	3.9
175.07547	1.9
176.04720	1.8
179.03812	1.1
179.05519	18.5
187.07614	2.1
189.05490	6.0
190.06332	6.1
191.07057	2.6
193.05040	4.6
205.08675	6.4
207.06602	0.8
235.06038	6.0
265.07230	2.8
281.08325	0.9
295.08063	3.6
296.10638	3.2
300.12228	0.7
311.12943	4.4
326.11832	0.8
329.14090	3.2
341.09814	1.8
341.13907	34.0
342.14301	4.7
355.10577	1.5
389.21896	0.9
390.21674	1.7
521.19818	5.0
521.26355	2.8
521.33057	1.0
522.25909	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	521.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	2.2
57.03304	2.1
58.00464	1.4
59.01252	26.6
61.98683	3.5
69.03277	1.0
71.01254	26.1
71.04891	5.8
72.99159	3.7
73.02821	6.3
75.00732	0.9
76.57259	0.8
81.03332	15.0
83.01242	3.3
83.04852	1.9
84.02031	2.1
85.02834	6.0
86.47492	1.0
87.00729	2.2
89.02312	9.3
90.87227	0.9
93.03288	2.8
95.04850	1.2
97.02808	2.6
98.19856	2.8
98.66134	1.0
99.00749	4.9
99.04370	3.6
99.27612	0.9
101.02332	10.9
105.06964	1.0
108.02063	1.7
109.02800	2.5
111.00747	1.5
113.02332	7.4
119.03356	3.1
119.04915	2.2
121.02853	1.3
121.06435	4.1
122.03586	2.4
123.04356	1.6
125.02291	3.6
132.02032	1.6
133.02795	1.9
134.03638	7.1
135.04379	1.9
137.02361	5.4
137.05956	1.7
139.11111	2.6
143.02396	1.4
143.03410	20.8
145.02815	2.2
145.10065	1.8
147.04390	1.4
147.08038	2.1
149.04399	1.8
149.05876	2.3
151.66080	1.0
152.00940	0.9
153.01759	2.3
158.38852	0.9
160.01598	7.7
161.02199	2.1
161.04439	2.3
161.09535	1.6
163.03867	1.9
164.04662	1.3
165.05489	5.1
165.09073	2.2
175.03938	9.2
175.06053	1.7
176.04501	2.7
177.01823	2.3
177.09027	1.1
178.02528	1.5
179.03355	2.0
179.07016	2.4
179.10655	2.5
183.06422	1.3
183.10191	15.6
191.06992	2.6
193.04913	9.5
193.06943	1.6
197.11783	10.3
207.06480	1.4
207.10199	30.2
208.10474	2.5
225.11299	11.2
226.11664	1.1
235.06107	9.8
237.11272	1.4
248.88457	1.0
259.21161	0.9
265.07071	3.5
295.08173	5.6
318.91165	1.0
337.09198	1.7
355.12592	6.6
359.20798	1.3
521.22113	100.0
522.15906	1.3
522.22681	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	521.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.5
59.76631	0.1
61.98717	0.1
63.36497	0.1
90.42377	0.1
91.05416	0.1
93.03313	0.6
95.11681	0.2
100.54967	0.1
101.02274	0.1
105.72974	0.1
108.02068	0.4
109.02824	0.2
117.03355	0.2
119.04915	100.0
120.05245	4.4
120.98624	0.1
139.78966	0.1
145.02832	0.7
151.11188	0.3
152.01057	0.3
153.01830	0.2
161.06000	0.2
163.03917	79.4
164.04250	4.8
195.10205	0.2
205.05006	0.3
211.72545	0.1
233.47240	0.1
235.05966	0.3
265.07169	0.6
405.44803	0.2
521.23944	0.3
521.32007	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	4.6
59.01254	4.9
66.85845	0.5
78.95776	27.1
83.04904	0.5
85.06454	0.8
90.12373	0.4
96.96871	2.3
97.06506	0.7
109.06495	0.7
113.09611	22.0
114.09947	0.8
123.98544	0.5
135.11676	0.7
139.11165	1.8
140.13504	0.6
149.09604	0.6
150.97871	0.5
152.99496	40.9
153.99776	0.9
156.85889	0.4
165.12775	0.5
166.76062	0.6
167.10670	3.5
167.68164	0.4
171.00542	3.0
177.12752	1.5
179.10680	2.7
195.13879	3.1
227.03238	5.8
227.38336	0.5
245.04324	2.1
249.22258	2.9
275.20322	0.9
286.25150	0.7
293.21237	100.0
294.21564	10.9
346.28192	0.6
371.09778	0.5
429.20328	1.3
521.25201	79.8
522.25500	12.3
522.33258	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03093	0.4
57.03321	5.5
59.01250	2.9
61.26434	0.5
61.98708	2.4
68.99667	0.5
78.95776	28.7
93.14317	0.5
96.96835	2.3
97.06469	1.1
98.20510	1.0
109.06484	1.1
113.09609	23.1
114.09952	0.6
139.11180	2.1
149.09602	0.7
152.99490	42.2
153.99797	0.7
167.10710	3.9
171.00542	2.0
177.12738	1.3
179.10706	3.4
195.13853	3.7
211.37321	0.6
227.03247	5.6
245.04312	1.9
249.22183	3.7
275.20288	0.7
293.21231	100.0
294.21558	11.5
302.68716	0.5
313.34866	0.5
338.85266	0.5
338.89835	0.5
429.20383	0.9
447.21432	0.7
521.25201	72.6
522.25525	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	521.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80367	0.5
59.01248	2.1
63.75092	0.6
70.99775	0.9
73.07558	0.7
78.95776	40.4
95.04883	0.7
96.96819	2.9
111.07987	0.7
114.71280	0.6
150.97887	0.6
152.99493	58.4
153.99796	1.4
171.00583	4.7
177.12654	0.6
179.14346	1.2
183.13849	1.0
195.13850	16.5
196.14427	1.3
205.12262	1.4
211.13388	0.8
223.13345	10.3
224.13797	1.2
227.03239	6.6
228.13554	1.0
245.04269	1.8
256.13101	1.0
275.20166	6.0
276.20627	0.6
293.21228	77.3
294.21506	9.0
312.63348	0.6
380.07721	0.7
392.49255	0.6
423.17902	0.5
429.20419	1.8
452.18140	1.3
521.25195	100.0
522.25494	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	521.252
Annotation	Cognatine
Peak:m/z	Relative Intensity
59.01244	1.3
71.29299	1.2
78.95776	28.6
96.96836	2.2
142.77136	0.7
150.97887	0.8
152.99487	45.4
171.00586	3.4
171.83521	0.7
179.14328	1.6
195.13834	13.8
196.14491	1.2
205.12268	1.1
223.13362	7.6
227.03250	5.6
231.20955	0.7
245.04213	1.2
256.13205	1.2
265.21634	0.7
270.53632	0.6
275.20193	4.2
293.21219	69.8
294.21567	7.8
297.34091	0.6
429.20490	1.8
451.17166	0.8
452.18173	2.1
521.25201	100.0
522.25525	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	521.2606
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
55.01759	2.5
57.03317	1.9
58.00463	2.1
59.01252	36.1
61.98696	0.4
63.00405	0.4
69.03339	0.8
71.01255	40.8
71.31789	0.7
72.01591	0.8
72.99179	3.8
73.02819	11.6
75.00751	1.3
75.75455	0.4
83.01266	5.6
85.02825	16.0
87.00756	1.9
89.02319	24.8
95.01272	3.4
97.02836	1.1
99.00755	11.2
101.02325	27.0
102.02647	1.1
103.22437	0.4
107.01310	0.8
111.00800	0.9
113.02338	18.1
114.02648	0.5
119.03394	10.5
125.02333	1.4
129.01891	0.6
131.03406	2.1
133.02817	0.6
134.94904	0.4
135.04384	0.6
143.03386	1.9
149.04462	2.3
151.00244	3.5
159.02870	1.3
161.02415	0.9
161.04454	7.9
169.01312	5.2
179.05560	2.9
183.36099	0.5
191.05539	1.4
192.63445	0.6
277.13528	0.5
283.43796	0.6
297.11374	0.7
312.09955	0.5
341.19476	0.7
351.05862	0.6
352.34296	0.5
371.20724	1.3
389.21808	13.5
390.22287	2.2
431.14215	0.9
433.20923	1.4
521.26025	100.0
522.26324	16.1
522.34320	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2605
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
55.01765	1.1
57.03320	2.0
57.54317	0.6
58.00466	2.2
59.01253	44.0
60.99203	0.6
61.98701	5.1
69.03333	0.5
70.75922	0.5
71.01252	43.1
71.04884	2.8
71.51936	0.9
72.01603	0.8
72.99182	3.4
73.02821	21.3
74.03152	0.7
75.00754	1.1
82.20917	0.5
83.01271	2.6
85.02824	14.7
87.00748	3.4
88.98685	0.9
89.02319	40.2
93.03363	1.0
95.01259	5.1
99.00760	79.5
100.01087	2.1
101.02319	17.4
107.04939	0.6
109.06497	0.7
111.00735	0.7
111.08016	0.7
113.02332	29.1
114.02693	1.2
119.03397	7.0
119.04858	1.2
121.02850	0.9
123.04446	0.9
125.02365	1.3
131.03392	8.1
133.02773	0.7
133.04984	1.0
134.03636	1.1
135.04410	1.4
137.02351	2.2
139.03989	1.0
143.03407	2.2
145.02834	2.0
149.04465	22.4
152.07057	1.1
153.01900	0.7
153.09102	4.2
159.02945	0.9
159.04375	0.6
160.01527	0.6
161.02390	1.2
161.04469	10.6
163.03865	2.1
165.05467	0.7
169.08583	1.8
175.03935	0.8
177.05347	0.6
179.03432	1.7
179.05539	3.3
179.06921	0.8
191.05545	20.5
193.05037	1.3
207.10060	1.3
209.15442	1.9
225.11264	2.3
233.06671	5.9
235.06081	0.6
281.09253	1.3
285.18628	0.8
293.08929	1.7
297.07590	1.2
298.07944	1.8
299.08221	2.3
313.18365	0.9
333.20508	2.0
341.13986	0.9
357.09665	1.6
358.09955	2.1
359.10538	4.4
359.27695	1.6
389.21695	6.0
419.22733	0.7
446.16989	1.6
461.20117	1.5
521.25726	100.0
521.31464	8.3
522.19617	1.0
522.26013	14.3
522.32642	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16023	0.9
55.01755	2.7
56.85109	0.8
57.03329	2.9
58.00460	2.3
59.01252	36.9
61.01682	0.8
61.98697	3.0
66.11122	0.8
69.03342	0.8
69.35443	4.9
71.01252	38.8
72.99179	7.2
73.02823	11.5
75.00751	2.9
81.41891	0.8
83.01256	3.3
85.02824	14.7
86.00030	0.8
87.00733	4.9
89.02311	24.2
95.01278	3.5
97.02837	2.2
99.00755	10.5
101.02325	25.2
109.02809	1.1
111.00764	1.5
112.01579	1.1
113.02335	17.3
119.03387	7.6
119.04899	1.4
125.02342	2.5
129.01808	1.4
129.29938	0.8
131.03426	1.9
135.04385	1.9
140.28555	0.9
143.03439	1.4
145.02881	2.8
147.11743	1.2
149.04465	3.0
153.09132	1.1
159.02890	2.3
161.02374	1.0
161.04485	6.8
163.03931	1.3
165.05605	0.9
169.01405	0.7
179.05617	2.7
191.05676	1.0
197.08287	1.0
227.16554	1.1
257.74448	0.9
307.08319	1.5
329.16507	0.9
345.09369	1.0
347.17065	1.9
359.15039	1.9
389.16885	1.4
389.21829	29.4
390.22217	3.2
410.53204	0.8
413.58072	0.9
461.20206	13.9
462.21042	2.0
521.26202	100.0
522.26556	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	521.333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.8
57.03320	4.0
58.00460	2.0
59.01251	31.9
61.98700	15.9
69.03326	0.8
71.01254	40.5
71.04880	1.1
72.99174	3.3
73.02818	10.2
75.00751	1.5
78.95766	1.1
83.01273	4.9
85.02823	16.5
85.06446	0.7
87.00723	2.5
89.02319	16.4
90.28909	0.5
93.03300	1.1
95.01262	3.9
97.02830	1.1
97.06464	1.5
99.00766	5.1
101.02322	23.6
109.02813	0.8
111.00750	2.3
113.02326	15.4
115.02103	0.8
119.03395	6.5
119.04897	0.6
123.08046	2.4
125.02350	1.2
127.11243	0.6
129.01819	1.0
131.03455	0.5
133.02814	0.7
134.03633	3.9
137.02312	3.3
141.09071	1.2
143.03392	1.4
143.10730	0.6
145.02820	1.2
149.04436	1.0
149.05945	1.1
153.01831	0.7
155.10648	0.6
159.02893	2.5
160.01541	1.2
161.02339	1.3
161.04468	6.7
163.03944	1.2
163.06140	0.6
165.12733	1.1
170.28828	0.5
171.13789	1.4
175.03876	1.2
178.02629	2.2
179.03406	0.8
179.05495	1.4
183.13843	2.8
187.13303	1.7
193.04976	8.1
193.06595	0.8
194.41209	0.6
195.13878	0.6
200.14069	0.8
201.14882	1.0
213.14894	2.4
216.13646	0.6
227.12778	1.4
230.06613	0.6
257.13107	0.5
277.12927	0.8
322.55518	0.6
325.11368	1.1
359.28009	24.8
360.28494	2.9
362.19266	0.8
389.21881	0.8
459.34738	2.5
460.35098	1.0
515.12085	0.6
521.21741	2.8
521.33307	100.0
522.20660	0.7
522.33618	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	521.3497
Annotation	Lycernuic acid C
Peak:m/z	Relative Intensity
59.01172	2.7
60.99093	5.2
61.98619	15.6
61.98980	2.0
71.01186	1.0
71.04800	3.0
73.02745	1.3
83.01212	0.7
83.01676	0.5
83.04800	0.5
84.86610	0.4
85.02761	0.8
87.07952	0.9
95.23945	0.5
98.19851	1.5
114.87644	0.5
127.22787	0.4
162.10587	0.6
205.15935	2.3
223.13220	0.5
249.14897	1.4
327.23312	0.7
377.28513	0.6
381.28067	1.0
393.31595	0.9
395.29587	0.8
397.31052	1.7
409.31107	1.4
411.32846	2.6
419.29767	2.5
420.30008	0.7
421.31403	2.7
423.29050	0.6
425.30557	3.6
427.32285	10.7
428.32358	1.5
429.33643	0.9
435.28870	1.0
439.32205	11.0
440.32220	1.3
441.34021	0.6
443.31693	2.3
444.31836	0.6
453.30020	0.6
457.33249	20.3
458.33597	4.3
459.34805	100.0
460.35144	18.9
460.41623	0.6
473.32700	9.8
474.33200	1.8
491.33801	16.6
492.34299	2.3
503.33682	0.7
521.34845	50.2
522.35242	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	522.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.3
60.99174	0.5
61.98702	100.0
69.33736	0.7
69.34154	1.4
71.01280	0.6
73.02834	0.4
74.24002	0.3
84.38475	0.3
89.02374	0.3
91.64337	0.3
93.45448	0.3
101.02346	0.3
114.45140	0.3
163.03931	0.4
223.13261	0.5
224.13693	0.5
291.07724	0.3
381.73804	0.3
425.30878	0.3
427.32242	0.4
428.32361	0.4
439.32547	0.3
440.32529	0.6
455.43759	0.3
457.33466	0.5
458.33701	0.5
459.34784	4.1
460.35229	3.1
474.33026	0.4
491.34262	0.5
492.34219	0.6
512.57251	0.3
521.34857	2.4
522.35034	2.4
523.32538	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33199	0.2
57.03290	0.2
59.01250	2.7
61.98702	100.0
71.01250	1.4
73.02831	0.4
75.00769	0.2
78.95792	0.5
84.08176	0.2
85.02837	0.8
87.00742	0.4
89.02321	0.6
96.95929	0.3
99.00751	0.4
101.02345	0.7
110.44508	0.2
111.89542	0.2
113.02341	0.5
119.03348	0.3
119.04912	0.4
121.02927	0.3
123.04423	0.3
135.04482	0.2
137.02373	0.5
143.03314	0.3
145.02905	0.3
152.01117	0.3
160.08847	0.2
161.02295	0.4
163.03937	0.5
175.03886	0.3
177.59344	0.2
179.03461	0.6
224.13861	0.5
298.38879	0.2
319.35464	0.3
367.48273	0.2
461.31146	0.3
497.97925	0.3
521.34589	1.3
522.34247	1.9
523.17847	0.6
523.34302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49392	0.3
59.01247	1.1
61.98705	5.0
63.96106	1.2
65.24030	0.3
69.03309	0.9
69.16553	1.1
69.16968	1.8
71.01253	7.5
71.55688	0.3
72.99170	0.3
73.02819	1.5
78.98038	0.6
78.98463	6.0
79.95124	0.3
79.95604	9.7
80.96390	63.7
81.03317	0.8
83.01241	0.5
85.02820	2.6
87.00755	2.7
87.20570	0.3
94.97963	15.5
95.01225	0.4
96.95892	0.8
97.02842	1.5
99.00761	0.5
101.02324	2.5
106.97968	3.0
113.02330	0.6
122.97478	3.6
125.02331	2.7
127.03903	1.0
134.97479	4.8
136.99043	1.1
148.99051	6.3
152.98546	5.0
164.98547	11.0
195.13837	0.3
206.99644	2.3
220.27020	0.3
223.13368	1.5
225.00702	15.7
226.01024	0.5
299.04471	2.6
523.18536	100.0
524.18860	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	523.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37037	0.4
55.01755	0.5
57.03305	0.5
59.01252	1.3
63.96100	0.7
69.03334	0.7
71.01253	7.1
73.02812	1.9
78.98466	5.4
79.95609	8.8
80.96391	59.2
81.03314	0.8
85.02822	3.5
87.00749	3.2
94.97961	14.8
96.95867	1.0
97.02814	1.5
98.19761	0.9
99.00759	0.5
101.02319	2.4
106.75162	0.4
106.97973	2.5
108.02065	0.5
113.02369	1.0
122.97482	4.6
125.02324	2.8
127.03899	0.8
134.97488	4.5
135.30934	0.5
136.99031	1.0
143.03462	0.4
148.99052	6.1
152.98540	6.4
164.98540	10.1
182.99704	1.9
184.93071	0.5
206.99612	2.7
223.13332	2.1
225.00700	15.5
243.01755	1.6
250.26093	0.4
259.94055	0.4
299.04510	2.3
464.75632	0.5
523.18524	100.0
524.18823	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.6
58.52362	0.4
59.01247	9.0
61.98698	0.7
69.17353	0.9
69.17766	2.9
71.01251	5.9
72.99179	1.9
73.02815	1.5
75.00742	2.1
79.04148	0.4
81.03323	0.5
83.01267	0.7
85.02825	2.8
87.00738	0.8
89.02302	3.0
91.12653	0.3
93.03343	2.2
95.01267	0.5
97.02814	0.4
98.19788	1.0
99.00770	1.4
101.02312	3.6
108.02040	0.8
109.02836	4.7
111.00811	0.6
111.04399	0.4
113.02335	2.8
117.03343	2.1
119.03421	1.3
119.04916	13.1
119.27254	0.4
120.05310	0.7
121.02837	12.0
122.03636	8.8
123.04396	2.5
123.08015	0.6
124.01546	1.5
129.03362	0.9
132.05692	0.7
133.06499	4.3
134.03622	0.5
135.04434	2.0
135.08028	0.6
135.36136	0.4
136.01585	0.6
136.05209	1.1
137.02362	3.0
145.02852	12.9
146.03302	0.5
146.64920	0.5
147.04420	6.4
148.05103	0.4
149.05991	1.3
151.03911	0.9
151.07579	0.9
153.01770	0.5
154.02605	1.7
159.02943	0.4
159.04451	0.5
161.04488	1.4
161.05965	11.4
162.06346	1.1
163.03917	17.5
164.04457	1.2
165.05484	23.3
166.05829	1.1
167.03491	0.4
177.05499	6.1
178.06165	0.4
179.03516	1.0
179.05524	0.6
179.07057	8.6
180.07375	0.5
181.05081	0.5
184.01823	0.4
187.03911	0.9
191.07104	0.5
197.08121	3.4
205.04990	13.9
206.05357	1.2
209.08170	1.1
223.09703	1.3
235.06094	7.6
265.07175	14.7
266.07388	1.3
292.53259	0.4
296.14456	0.4
313.14413	0.9
315.12384	2.3
316.13107	0.7
325.09216	2.6
325.66183	0.5
346.14203	8.5
347.14572	1.1
361.16550	100.0
362.12521	0.9
362.16907	12.2
369.38818	0.4
390.47473	0.4
391.19809	0.5
463.25800	0.5
523.18567	5.0
523.27362	9.7
524.18903	0.8
524.27802	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2547
Annotation	Safracin A
Peak:m/z	Relative Intensity
54.12700	0.6
56.52569	0.8
59.01249	12.2
61.98701	2.7
71.01259	8.4
72.99178	2.4
73.02810	4.4
75.00772	0.8
75.46575	0.6
78.95787	2.3
83.01241	0.9
85.02819	0.8
89.02315	2.3
96.83966	0.6
96.95915	0.7
101.02319	3.1
103.05408	0.8
110.58475	0.6
110.91264	0.7
113.02302	1.7
117.03355	1.4
117.18192	0.7
118.00291	0.6
119.03402	0.8
119.04921	6.6
125.05926	1.0
145.02853	3.1
147.04419	69.5
148.04730	2.8
152.99504	2.1
153.91808	0.7
161.06049	0.8
163.03885	1.0
165.05461	13.3
167.14336	0.8
177.53058	0.6
179.14357	0.7
183.13802	4.1
191.14316	1.9
195.13844	6.1
197.11792	1.3
197.15419	2.6
207.13788	1.0
209.15332	3.7
213.14896	23.3
214.15269	1.4
225.11407	0.7
227.16492	9.0
237.14940	6.9
255.16022	6.8
256.16486	1.0
267.15997	0.8
295.07169	0.9
327.10739	1.3
355.25168	0.7
450.39447	0.7
523.25482	100.0
524.25854	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	523.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20795	0.4
57.03316	1.5
59.01247	2.1
71.01054	0.8
71.01384	0.6
78.95774	34.7
96.96842	2.7
113.09616	2.7
152.99484	51.3
153.99826	1.1
171.00612	2.7
177.12695	0.6
179.14345	1.7
181.12216	0.7
195.13826	25.0
196.14192	1.7
227.03139	4.3
245.04251	2.1
277.21704	19.3
278.22073	1.9
295.22772	86.1
296.23117	9.1
357.67053	0.5
361.65701	0.6
378.20743	0.6
431.22256	1.3
523.26746	100.0
524.27057	15.2
535.69904	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65047	0.5
57.03315	0.7
59.01241	2.2
70.43745	0.7
70.44086	1.4
75.14298	0.6
77.13417	0.5
77.13879	0.6
78.95780	27.8
83.04929	0.6
96.96857	2.9
113.09607	2.2
150.97847	0.6
152.99498	44.8
153.99731	0.6
171.00575	3.0
177.12787	1.1
179.14345	1.2
195.13843	20.9
196.14226	1.6
227.03183	5.4
245.04309	1.7
251.23952	0.6
277.06229	0.6
277.21732	18.5
278.22086	1.2
279.75348	0.5
295.22787	87.2
296.23123	9.3
431.21948	1.7
487.34122	2.9
488.34863	0.7
523.26776	100.0
524.27136	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	523.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	17.7
61.98699	16.2
65.58540	6.3
70.02602	14.1
70.03001	10.1
75.67442	5.4
78.95779	41.8
152.99472	30.6
171.10165	16.3
179.21803	5.1
277.21695	21.4
295.22766	52.3
463.24179	11.5
487.34439	100.0
488.34717	19.8
523.25989	46.7
524.26501	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	523.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51743	20.9
56.17756	23.7
57.49529	21.2
58.19028	22.4
61.23527	22.1
61.98706	54.6
65.48359	22.7
68.10732	24.1
74.99077	23.4
78.95776	35.5
108.62188	21.1
110.24708	21.9
131.23355	26.2
138.91278	23.2
152.99487	35.5
176.48984	22.1
285.04208	32.4
295.22894	30.7
523.31879	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59911	0.7
57.99519	0.8
59.01255	5.9
61.98689	2.5
63.02262	1.0
65.00206	1.0
71.01246	5.2
71.38301	0.9
72.99181	1.4
73.02816	0.8
75.00742	1.7
76.16326	0.7
83.01256	0.7
85.02835	3.5
87.00740	1.9
89.02318	1.6
95.01256	1.6
99.00755	2.8
101.02318	1.3
101.07009	0.8
103.00217	0.7
107.01266	1.6
109.02792	1.3
111.00764	1.3
113.02334	5.1
115.00243	0.7
119.04914	1.0
121.02814	0.9
123.00748	1.2
125.02303	2.2
133.02887	4.8
135.04462	0.7
136.98642	1.0
137.02309	0.9
139.00255	3.1
141.01822	1.1
145.02870	1.2
147.04443	0.8
149.02353	1.8
151.00272	6.9
153.01801	1.5
154.99803	0.8
161.02324	1.6
163.00237	1.1
163.03935	1.0
166.99776	1.7
169.01329	1.0
175.03883	1.6
177.01794	1.7
178.99742	3.6
185.05927	0.9
187.03932	0.7
189.05621	0.8
193.01389	1.3
194.00984	0.8
194.99266	1.4
199.03900	1.6
206.99191	1.2
209.00819	1.3
215.03513	1.2
217.05009	1.3
222.98740	0.8
231.02908	1.2
243.02971	1.2
261.04245	0.8
265.07166	0.9
275.02133	0.8
285.04034	100.0
286.04395	10.9
301.03503	1.6
327.05148	0.8
328.04831	1.0
331.00922	0.9
349.01785	1.0
352.71313	0.8
357.06122	1.3
371.36047	0.7
461.07266	34.7
462.07361	4.9
523.27222	1.3
524.27924	0.9
525.16156	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	524.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59111	0.6
58.20698	0.8
61.98702	100.0
78.95772	7.2
135.48389	0.9
193.90761	1.0
194.91122	0.9
196.89423	1.1
200.99452	0.9
422.01648	1.0
524.17596	3.8
525.33337	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73927	1.7
56.05669	1.8
57.03314	2.7
59.01253	14.8
61.98690	2.4
63.02274	1.9
63.96084	1.9
65.00194	5.1
67.01779	1.9
68.40168	1.8
68.99677	2.4
71.01248	25.0
71.52394	2.1
72.82517	1.8
72.99172	5.7
73.02805	4.9
75.00743	4.9
77.78902	1.5
78.98448	4.9
79.95596	7.9
80.96392	68.8
81.03371	2.1
83.01248	5.1
85.02827	21.9
87.00739	5.4
87.47322	1.8
89.02347	2.9
94.97964	16.2
95.01266	10.5
97.02813	2.6
97.11878	1.8
99.00758	9.1
101.02316	4.3
103.00254	3.6
106.97943	3.4
107.01254	4.2
111.00772	10.8
113.02340	24.7
117.01711	1.7
121.02868	1.9
122.97486	1.9
123.00794	4.2
123.04393	5.0
125.02332	9.0
133.02769	3.8
134.97415	3.4
135.00778	2.1
136.98701	3.1
137.02405	3.8
139.00262	23.6
140.01054	11.2
141.01846	11.6
147.04555	3.3
148.99031	5.9
149.02292	3.7
150.03011	1.9
151.00275	18.5
151.03926	2.0
152.00999	2.2
152.98518	5.4
153.01817	6.4
153.05411	5.9
157.01311	5.7
163.00264	3.7
163.03998	2.7
164.98520	9.7
165.01834	9.0
166.99782	8.0
167.03419	2.6
169.01285	5.9
169.62880	1.9
174.03192	2.0
175.02367	7.2
177.01875	3.7
178.99788	10.5
181.01389	8.5
182.02051	2.2
183.02861	3.1
185.00917	2.5
191.03369	2.1
193.01363	8.1
193.03407	4.3
194.99345	2.4
197.00920	2.5
199.02322	3.9
199.03979	3.5
206.99394	2.1
209.00923	4.0
225.00612	15.2
227.03410	6.8
228.04195	1.8
231.02933	2.4
243.02905	6.9
245.04510	4.2
249.03879	3.3
255.02931	5.4
256.03677	7.9
261.03934	1.9
271.02499	11.7
272.02954	2.1
273.03983	7.8
283.02277	3.2
284.03256	28.0
285.03830	6.2
287.05426	3.5
298.04727	6.1
299.01797	7.7
299.05478	37.8
300.02777	22.6
300.05933	4.5
301.03333	2.4
303.05042	4.6
313.03455	7.9
314.04129	2.8
315.05066	55.0
316.02005	2.6
316.05334	5.1
331.04593	17.7
332.05029	5.9
349.05551	12.8
350.06161	2.2
379.24011	1.9
443.78879	2.4
463.30173	1.9
475.08899	30.9
476.09027	2.6
525.09784	3.8
525.16351	100.0
526.16815	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40340	0.4
59.01248	3.4
61.16648	0.4
61.98702	1.7
66.45932	0.4
71.01257	1.0
71.51134	0.4
78.95784	1.0
85.02837	0.5
89.02308	0.9
93.03346	1.7
95.04920	0.5
101.02350	0.9
108.89906	0.4
112.52443	0.4
113.02318	0.5
121.02856	2.5
122.03628	8.3
123.04429	7.3
133.02861	1.6
134.03659	0.5
136.01610	0.8
137.02281	0.5
147.04475	0.5
149.01382	0.3
149.02351	10.2
150.03130	50.1
151.00256	0.7
151.03439	2.4
153.05490	0.4
161.02345	6.3
164.04710	2.3
165.05482	60.1
166.05821	2.4
167.03468	0.5
175.03847	0.4
177.01833	0.4
180.04198	4.0
183.04497	0.5
185.02370	1.1
195.06566	32.9
196.06860	1.6
197.11729	0.5
198.03047	0.6
199.03999	0.9
202.02672	0.5
203.03418	3.3
209.11818	0.9
215.03403	0.7
221.25764	0.4
226.02660	1.6
227.03445	8.4
228.03883	0.8
229.01378	1.2
242.02182	1.5
243.02969	1.7
243.88948	0.4
253.09276	0.4
255.03026	0.7
258.04846	0.5
270.01663	3.3
271.02469	18.3
272.02914	1.2
281.04547	1.2
282.05432	0.7
284.03284	0.6
285.04062	11.2
286.04391	0.9
289.18155	2.8
297.03882	0.5
299.01956	49.8
300.02347	4.5
313.03549	10.8
313.06616	0.3
314.04318	39.3
315.04626	2.7
327.05054	0.5
328.05801	2.6
329.06659	100.0
330.07031	9.0
459.68127	0.4
477.11929	0.8
525.14172	1.6
525.24463	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.14
Annotation	Salcolin B
Peak:m/z	Relative Intensity
53.32601	0.9
59.01242	2.7
61.98703	2.6
71.01258	1.5
73.02850	0.8
76.52630	0.8
78.37270	0.9
78.95784	1.1
93.03353	3.0
95.01258	1.0
108.02054	19.4
108.02733	1.7
109.02872	1.7
116.35075	1.1
121.02863	3.4
122.03661	9.0
123.00767	1.3
123.04414	10.4
133.02866	1.1
149.02354	11.9
150.03142	67.0
151.00337	1.6
151.03484	2.9
152.01070	27.2
153.01659	1.6
153.05531	1.0
160.01598	1.4
161.02336	7.2
164.04700	2.2
165.05490	70.7
166.05804	3.5
167.03421	58.4
168.03758	2.5
180.04201	5.2
185.02393	2.0
195.06566	36.9
196.07014	2.5
199.03989	1.0
203.03387	2.5
204.32166	0.8
226.02675	2.1
227.03476	7.8
234.06174	1.1
242.02364	1.7
243.02966	2.5
270.01593	4.7
271.02499	18.6
272.02655	1.1
283.05817	1.6
285.04041	9.5
299.01965	54.2
300.02301	5.3
311.05811	1.0
313.03564	11.3
313.06964	1.6
314.04309	42.8
315.04590	5.7
328.05713	2.0
329.06662	100.0
330.07047	11.2
477.11844	6.7
525.13153	1.8
525.20361	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	525.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81840	0.6
56.48703	0.6
57.03308	0.8
59.01241	2.5
61.98710	2.8
68.99722	0.7
69.84418	1.2
69.84818	1.1
70.08294	0.7
71.01259	3.6
78.95757	0.7
80.59922	0.6
81.03339	1.7
85.02841	3.3
93.03333	0.7
95.01272	3.2
99.00730	0.8
101.02328	2.0
108.02055	68.8
109.02851	41.1
109.03621	1.4
110.03190	1.3
113.02308	1.4
121.02859	1.1
122.03615	1.3
123.00752	2.6
123.04418	3.2
133.02797	1.0
135.04401	1.0
145.02956	0.6
151.03925	0.8
152.01059	69.1
153.01860	21.5
154.02171	1.2
161.02216	0.6
161.04512	0.9
161.73547	0.6
163.03946	1.6
165.11557	0.6
165.12752	3.8
171.10269	0.6
183.13838	10.3
195.13773	0.9
209.11731	0.8
213.14859	3.6
227.12843	1.7
315.07236	3.1
336.68332	0.6
481.20758	4.6
482.20667	0.8
507.18622	8.0
525.19751	100.0
526.20184	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	525.1977
Annotation	Eucalmaidin C
Peak:m/z	Relative Intensity
51.14186	0.8
56.45411	0.7
57.03331	1.4
57.21295	0.7
59.01252	14.6
61.98701	14.0
69.03326	1.0
71.01250	13.6
71.52943	0.8
72.01583	0.9
72.99178	96.9
73.02801	4.7
73.99535	1.1
75.00748	5.3
78.95773	1.2
83.01272	3.2
85.02819	7.7
87.00782	1.2
89.02312	4.4
91.05434	0.8
93.03332	4.7
95.01250	1.6
99.00736	2.3
101.02311	9.6
103.03903	1.7
107.04915	3.5
108.02055	4.2
109.02856	4.4
109.06464	0.8
111.00766	1.4
113.02322	4.6
117.03326	3.0
119.03381	1.4
119.04912	2.3
121.02843	1.2
121.06465	1.6
122.03648	1.4
123.00787	1.0
123.04405	36.2
124.01565	0.8
124.04762	1.6
125.02292	1.3
133.02838	1.9
134.03624	4.2
135.04413	62.5
136.04720	3.1
137.02367	6.2
145.02844	10.4
149.06010	1.8
150.03130	1.8
151.03912	5.5
152.01060	4.0
153.01833	1.3
153.05481	1.2
153.09099	2.1
160.01582	3.1
161.02335	2.8
161.04431	2.1
161.05865	0.8
163.03931	2.1
165.05405	3.6
167.03363	1.7
171.10077	0.9
175.03964	2.1
177.01848	1.3
177.09183	1.2
178.02603	1.1
179.03418	62.4
180.03754	3.4
183.10234	0.7
193.05199	0.9
197.04483	98.9
197.08208	3.2
197.11775	1.6
198.04883	3.7
229.14427	1.0
239.05522	2.1
283.07318	1.3
289.18286	0.9
299.11523	1.4
341.08752	2.7
359.09811	19.8
359.14081	1.3
362.29904	1.9
363.23804	1.6
379.15991	2.0
450.16885	2.8
510.83209	0.8
524.35364	7.6
525.19775	100.0
525.28925	15.4
525.35864	3.0
526.19946	18.5
526.28632	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	525.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35159	0.3
59.01257	2.3
61.98698	1.2
70.60457	0.3
71.01262	1.4
71.50993	0.3
72.95351	0.3
73.02827	0.4
78.95786	0.6
81.03336	0.3
85.02828	0.3
89.02319	0.7
93.03339	1.1
95.04922	0.8
99.00762	0.3
101.02325	0.7
108.02050	1.1
109.02859	0.3
111.81214	0.3
113.02368	0.5
117.85551	0.2
121.02858	0.7
122.03642	1.7
123.04411	100.0
124.04739	3.7
133.02809	0.3
149.02364	0.8
150.03134	3.3
152.01036	0.9
152.99498	0.6
161.02374	1.0
165.05495	4.6
167.03415	10.1
168.03717	0.4
179.03424	0.3
195.06592	2.4
195.13899	0.5
213.14922	1.4
227.03450	0.5
227.16428	0.3
255.16095	0.3
255.72514	0.3
270.02045	0.4
271.02490	1.1
285.04080	1.1
296.02908	0.3
297.20892	0.3
299.01987	3.7
300.02264	0.3
313.03485	0.8
314.04303	3.8
315.04825	0.4
329.06644	8.3
329.10327	0.5
330.06970	1.0
525.10065	0.5
525.23450	4.2
526.23718	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60383	0.1
59.01231	0.3
61.98690	0.2
67.38428	0.1
70.42471	0.4
71.01247	0.3
73.02802	0.2
80.02562	0.3
81.03297	0.1
89.02301	0.1
93.03335	0.2
93.41685	0.1
93.52542	0.1
95.01236	0.2
108.02053	30.9
109.02378	0.8
122.03647	0.2
123.00795	0.2
123.04412	12.9
124.04778	0.5
133.02907	0.2
137.02328	0.2
144.66722	0.1
150.03162	0.2
152.01057	43.4
153.01393	1.7
165.05554	0.2
167.03412	100.0
168.03754	5.2
177.01816	0.3
183.13869	0.3
209.04315	0.2
212.47734	0.2
213.14893	1.1
276.11523	0.1
289.88599	0.2
314.04211	0.2
329.06778	0.2
473.16595	0.1
525.19891	0.5
526.20605	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36827	0.4
58.00447	0.6
59.01249	6.5
61.98701	7.6
67.04918	0.4
68.99692	0.5
69.03315	0.7
71.01253	12.1
71.04871	0.4
71.52297	0.7
72.99186	0.7
73.02816	3.3
75.00734	0.5
76.36409	0.4
78.95777	0.4
81.03326	0.9
83.01265	1.7
83.04906	0.9
85.02830	5.2
87.00765	0.7
88.98650	0.5
89.02315	3.1
93.03355	1.4
95.01270	1.1
95.04912	0.7
97.02831	0.7
99.00779	1.0
99.04385	2.7
101.02317	4.6
107.04913	0.5
108.02058	5.8
109.02848	7.8
110.03154	0.5
113.02339	5.4
119.03389	0.4
121.02875	2.1
122.03629	75.3
123.04441	31.1
124.04765	1.3
125.02332	1.6
127.03855	1.0
135.04440	0.6
137.02332	6.2
137.05989	0.7
143.03389	0.6
145.02768	0.4
147.04453	0.7
149.02345	12.0
149.05988	0.5
150.02834	0.4
153.05511	0.5
156.51112	0.4
159.03073	0.5
161.04457	4.3
165.05516	2.0
167.14268	0.8
177.05409	0.6
179.14374	1.0
181.20027	0.4
183.13821	5.8
183.90433	0.4
191.14322	1.1
195.13821	8.8
196.14120	1.0
197.15416	1.3
207.13889	0.7
209.15425	1.7
211.13295	0.6
213.14905	100.0
214.15257	7.4
223.16968	0.7
227.16493	5.4
237.14891	4.7
238.15327	0.4
249.14894	1.1
255.15999	7.0
256.16364	0.6
267.08734	0.7
267.16104	0.9
297.17178	0.7
309.17130	1.7
317.15863	0.5
460.38596	0.5
525.23358	10.5
526.17389	0.6
526.23895	1.5
538.45868	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00482	0.5
50.50759	0.4
51.77915	0.4
55.74370	0.4
55.75008	0.4
58.00465	0.6
58.57778	0.4
59.01262	2.6
59.75976	0.4
61.98701	0.6
69.03328	1.0
71.01234	1.5
73.02824	0.5
75.00758	0.5
80.96457	0.4
83.04881	1.0
85.02824	17.3
85.06446	0.8
85.84795	0.4
89.02314	0.6
93.03335	1.0
95.04784	0.5
98.20552	1.1
101.02315	0.9
107.04910	1.0
109.02802	0.7
111.04391	1.5
111.08042	1.9
113.02319	0.9
119.04914	0.8
123.04382	0.5
137.02353	2.0
137.05927	0.8
147.04431	0.6
151.03908	0.5
155.07050	0.6
157.44037	0.4
159.08060	0.5
161.02376	0.5
171.08005	0.7
179.03406	1.4
185.09706	0.4
199.07603	0.6
225.11108	0.8
229.12315	0.4
229.14445	0.7
267.13831	0.7
299.07739	0.5
327.21768	3.0
369.17078	0.6
435.25214	0.7
439.21185	2.3
481.26038	1.0
497.15158	0.5
507.23785	0.9
525.24951	100.0
526.25256	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	525.2837
Annotation	5-Ketomilbemycin A3
Peak:m/z	Relative Intensity
59.01241	0.9
61.44311	0.7
61.98686	1.9
63.34217	0.7
71.50867	1.2
78.95314	1.4
78.95775	28.6
78.96220	1.5
87.40105	1.0
96.96837	3.0
105.14310	0.9
126.66721	0.8
129.11577	0.6
138.09071	0.8
141.12770	1.4
150.97987	0.8
152.99495	43.8
155.09402	1.1
155.10683	21.8
165.73686	0.7
171.00526	2.7
171.10237	1.2
179.80890	0.8
183.18446	0.7
200.78682	0.8
227.03204	4.3
230.96574	0.7
245.04332	1.4
248.36839	0.7
277.29117	0.9
279.23288	19.5
280.23691	2.0
295.22653	1.4
297.24347	100.0
298.24710	11.1
349.43484	0.9
426.62265	0.8
433.23627	1.2
455.85840	0.9
525.28339	98.8
526.28674	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	526.214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32135	0.1
59.01249	0.4
61.98704	100.0
62.98406	0.2
64.41062	0.2
68.70503	0.2
69.30450	0.3
69.30857	1.0
72.99176	0.2
75.00755	0.4
75.55448	0.1
76.85617	0.2
80.96386	0.2
89.02344	0.2
99.00761	0.2
113.02327	0.2
118.49381	0.2
155.33842	0.2
165.85411	0.2
233.34663	0.2
298.92807	0.1
300.03012	0.3
463.08832	0.3
513.25085	0.2
527.18213	0.4
540.10828	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71684	0.2
53.86632	0.2
53.97744	0.2
55.01759	0.2
57.03334	0.3
58.00474	0.3
59.01247	3.3
61.98700	100.0
62.98403	0.4
71.01254	4.8
71.51740	0.2
72.99196	0.6
73.02817	0.8
75.00726	0.5
83.01264	0.8
85.02820	2.0
87.00762	0.4
89.02306	1.4
90.23164	0.2
93.03342	0.4
95.01269	0.7
99.00771	0.7
101.02319	2.5
107.37875	0.2
108.02013	0.5
109.02885	1.2
113.02313	1.8
119.03396	0.5
121.02842	0.3
123.00819	0.2
123.04408	0.4
135.04424	1.6
136.04782	0.5
137.02425	0.7
139.03902	0.2
145.02856	0.7
149.02379	0.3
151.91527	0.2
152.01118	0.4
153.01875	1.2
161.02385	0.6
161.04462	0.6
163.03848	0.3
163.47182	0.2
167.03467	0.2
179.03409	0.6
193.03474	0.3
377.44019	0.2
381.17834	0.5
414.93433	0.2
526.20087	1.3
527.18207	0.4
527.25104	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	527.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.7
57.03319	0.7
59.01248	5.6
61.98701	14.3
63.96106	1.0
64.14963	0.5
70.84889	1.6
71.01250	10.8
72.99179	1.9
73.02827	3.1
75.00742	2.5
78.98463	5.1
79.10158	0.5
79.95164	1.0
79.95603	9.7
80.96389	52.7
81.03326	0.9
81.67294	0.6
83.01245	2.7
85.02827	4.7
86.84251	0.6
87.00745	4.0
89.02314	1.9
94.97952	13.9
95.01267	1.0
96.95886	1.1
97.02825	2.0
97.25672	0.5
99.00746	2.0
101.02325	7.0
101.67948	0.5
106.97958	2.6
109.02791	1.2
111.00739	0.5
113.02329	2.4
119.03442	0.8
121.06458	0.9
122.97472	4.8
123.04326	0.8
125.02312	2.7
127.00275	1.1
127.03922	1.1
129.01843	0.7
132.52077	0.6
133.02824	1.0
133.06595	0.6
134.03618	1.6
134.97498	3.9
135.04373	0.8
136.98993	0.8
145.01334	1.4
145.02739	1.0
148.99063	4.4
152.98518	6.0
160.01579	3.3
161.02350	4.5
163.03795	0.7
164.98540	9.1
165.05464	1.1
167.00076	0.7
167.03458	0.7
175.03897	4.0
179.00034	0.8
179.03413	0.8
179.05504	0.7
182.99579	2.0
193.04996	1.2
206.99619	2.9
209.11758	3.4
225.00700	17.1
226.00980	0.7
243.01683	1.0
299.04398	2.3
321.20535	0.8
451.21643	0.8
467.28326	0.7
483.25821	2.2
527.17957	100.0
527.24634	6.1
528.18152	14.4
528.25580	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.9
57.03317	5.6
59.01253	46.8
60.00230	2.4
61.98703	25.7
71.01259	49.0
71.51819	5.8
72.99171	4.9
73.02824	34.2
75.00750	4.6
75.61771	2.1
79.95584	4.8
80.96399	24.0
83.01266	7.2
83.04923	2.9
85.02822	20.4
87.00751	94.4
88.01065	2.6
89.02316	49.6
93.03339	3.1
94.97972	5.4
95.01277	7.7
95.04881	3.9
97.02801	2.7
99.00758	100.0
99.04453	3.1
100.01077	4.7
101.02319	20.4
105.61740	2.3
111.08079	3.9
113.02325	42.7
119.03391	6.6
119.04883	3.2
121.02847	2.6
131.03358	11.8
143.03397	3.3
145.02766	2.4
149.04459	23.5
154.86444	2.7
155.07051	6.5
161.04472	17.3
163.04028	4.0
164.98497	5.3
167.03490	2.5
175.03897	4.2
177.98666	2.5
186.34187	3.3
191.05536	29.4
215.09233	3.4
221.06604	5.2
225.00677	5.2
233.06598	8.8
248.12804	2.5
297.12366	3.7
333.15512	3.3
353.10886	7.1
356.53485	3.1
373.14261	3.4
407.06573	2.4
421.17050	38.3
422.17447	7.0
443.60150	2.7
465.19611	4.2
467.28253	6.6
510.19174	3.4
527.18671	68.5
528.19849	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	527.2133
Annotation	Dutasteride
Peak:m/z	Relative Intensity
51.97139	0.4
55.01799	0.5
59.01261	3.8
59.26434	0.5
61.98703	7.3
63.72525	0.5
71.01254	4.2
72.99176	4.2
73.02807	1.0
75.00742	0.7
76.63441	0.5
78.46758	0.4
78.95765	0.8
80.96395	1.1
81.03313	1.7
83.01241	0.9
85.02814	3.1
87.00743	0.6
89.02319	1.2
93.03317	0.6
95.01263	0.9
98.19826	1.7
99.00786	1.0
101.02322	2.1
103.03854	0.6
108.02052	80.9
109.02860	28.1
109.03384	0.5
109.03611	0.8
110.03178	0.9
111.29918	0.5
113.02344	1.9
115.75985	0.5
119.04952	0.7
121.02847	1.2
122.03705	0.5
123.00775	2.0
123.04407	2.0
125.02341	0.6
133.02821	1.0
134.03613	1.0
135.00684	0.5
135.04416	4.5
137.02312	0.8
145.02902	0.8
151.03912	1.2
152.01057	59.6
153.01846	17.6
154.02184	0.7
161.02330	1.6
163.03923	1.2
165.01823	0.9
175.03944	0.8
179.03471	3.5
197.04500	4.7
199.13353	0.6
206.90079	0.6
229.14372	6.1
286.98642	0.6
315.07346	0.8
527.21301	100.0
528.21649	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	527.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58928	0.4
59.01247	5.2
61.98699	7.8
66.03397	0.5
69.03331	0.7
71.01253	5.3
72.99181	1.5
73.02810	1.5
75.00742	1.3
78.95756	0.5
79.22652	0.4
81.03331	0.6
83.01222	0.9
85.02823	4.6
85.16337	0.4
86.27266	0.4
87.00768	0.9
89.02315	2.2
89.66629	0.4
93.03346	0.9
95.01272	2.6
96.95876	0.5
99.00748	1.4
101.02322	3.0
108.02054	69.5
109.02871	19.6
110.03185	0.9
113.02340	2.7
117.03366	0.6
119.03395	0.5
119.04904	0.7
121.02857	1.4
123.00762	1.8
123.04427	5.1
133.02841	1.9
134.03604	1.5
135.04428	7.0
137.02362	2.2
145.02838	1.3
149.04459	0.5
151.03903	0.8
152.01057	50.4
153.01865	13.3
153.05501	3.8
154.02205	0.7
160.01605	2.2
161.02338	1.4
161.04442	0.9
163.03932	2.1
165.01860	1.3
175.03899	2.9
176.49179	0.5
177.01816	0.6
179.03386	1.1
179.05536	0.5
181.04962	0.6
193.04918	0.9
197.04443	1.3
198.04810	0.8
211.13409	0.8
229.14421	8.7
319.21414	0.5
337.09299	5.3
338.09488	0.8
381.17612	0.7
429.59760	0.5
465.26736	2.8
491.15540	1.9
527.21295	100.0
528.21667	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00439	2.5
59.01252	34.4
61.98701	2.0
71.01257	25.2
71.52594	2.5
72.99169	2.9
73.02832	2.9
83.01254	2.5
85.02811	6.2
89.02302	16.7
95.01224	1.8
96.95841	1.7
99.00795	1.6
101.02325	16.0
113.02371	9.6
119.03386	10.9
153.01828	3.4
153.86115	1.5
161.04453	1.8
166.05005	6.3
179.05513	3.7
201.93913	1.7
347.17010	5.7
472.34830	1.8
527.23468	100.0
528.16791	2.5
528.23907	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	527.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75723	0.3
57.03320	1.2
59.01252	6.7
61.98699	0.7
71.01257	4.1
72.99146	0.3
73.02836	0.7
75.82146	0.3
78.95776	1.6
83.01252	0.4
83.04901	0.7
85.02834	1.2
85.17468	0.3
87.00708	0.3
89.02327	3.1
89.64095	0.3
95.04887	0.6
98.20594	0.6
99.00790	0.4
101.02325	3.8
109.06474	0.5
110.98425	1.2
111.08045	7.5
112.08386	0.6
113.02346	1.7
113.09621	0.5
114.10954	0.3
119.03380	0.9
121.10146	0.8
123.08074	0.7
125.09608	0.8
135.11725	0.3
136.74469	0.3
137.09616	0.3
143.29295	0.4
148.94174	0.3
149.09625	0.5
152.99344	0.3
161.04482	1.3
167.01053	0.5
167.10674	1.9
171.10197	3.2
177.12773	1.9
179.05524	0.5
179.10719	2.0
185.11786	0.9
185.41051	0.3
195.13866	5.0
196.14160	0.4
197.11749	0.4
199.09776	0.6
203.14311	0.3
206.36734	0.3
207.10185	0.5
209.11821	0.9
225.11168	0.3
235.08101	0.6
247.20621	2.3
253.09274	16.3
254.09720	0.9
273.18588	1.3
291.19675	100.0
292.20016	11.0
292.23331	0.6
339.12024	0.8
527.28027	3.0
528.28461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.3
57.03322	4.3
59.01252	24.7
60.76079	1.0
61.98716	1.6
67.01750	1.0
69.03333	2.0
71.01255	32.1
71.51427	1.3
71.51836	1.0
72.99171	7.7
73.02831	3.5
75.00750	24.3
77.82883	0.9
78.95808	1.5
78.98471	4.2
79.95604	5.5
80.96389	47.6
83.01255	1.8
84.02048	1.0
85.02827	32.8
87.00745	11.2
89.02306	6.9
94.97960	9.1
95.01267	8.0
97.02832	1.4
99.00751	12.0
101.02322	2.7
103.00260	3.8
106.97988	2.2
113.02333	43.7
115.00281	2.4
117.01826	3.7
122.97451	1.4
125.02362	1.5
129.01881	1.8
134.97485	3.0
148.16760	1.1
148.99039	4.3
152.98509	3.3
152.99576	2.3
157.01355	1.4
164.98523	8.7
175.02423	6.3
188.61391	0.9
205.07172	4.0
206.99680	1.5
223.08124	2.0
225.00706	11.4
227.20157	2.3
249.06163	8.6
259.20364	1.1
267.07217	8.6
273.01013	1.0
277.21722	75.4
278.22046	7.7
291.19766	1.2
299.04370	1.9
313.08582	1.0
467.26535	1.3
504.29895	1.1
509.27582	2.3
527.29016	100.0
528.28174	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	528.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.3
61.98702	100.0
62.98408	0.2
71.01241	0.2
92.56133	0.1
101.02364	0.2
140.19832	0.1
145.02837	0.2
161.02280	0.2
177.01889	0.6
228.13200	0.2
302.26089	0.2
394.01700	0.1
528.21619	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60189	0.2
55.01767	0.3
56.30101	0.2
57.03335	0.3
59.01253	4.9
61.98692	0.3
69.03340	0.3
69.41908	1.4
71.01250	5.1
72.99193	0.5
73.02814	2.3
75.00729	0.5
77.03842	0.2
78.41753	0.2
78.95818	0.2
81.53746	0.2
83.01264	1.2
83.45956	0.2
85.02823	4.2
85.99963	0.3
87.00739	1.5
89.02316	1.3
95.01279	0.6
95.26542	0.2
96.95892	0.6
96.96863	0.2
97.02837	0.6
99.00765	1.1
101.02327	4.1
103.03899	0.5
105.03337	0.5
108.47930	0.2
109.02794	0.3
111.00771	0.8
113.02324	3.6
115.01786	0.2
117.03342	1.4
119.03394	0.2
119.04927	0.3
121.02863	0.2
123.04440	0.3
125.02370	0.4
127.00234	0.2
127.03944	0.3
127.05034	0.3
128.01065	0.3
131.03386	1.8
132.02066	1.8
133.02850	26.4
134.03247	1.1
135.04425	3.9
137.02325	0.5
141.01810	0.3
143.03371	0.3
145.02856	1.1
146.74980	0.2
155.03401	0.2
159.02872	0.5
160.01576	0.2
160.03845	0.3
161.02351	100.0
161.04509	2.8
162.02708	5.3
163.03938	0.3
163.06071	0.3
172.27780	0.2
173.04488	1.4
175.03911	0.3
178.02606	0.3
179.03397	1.5
221.06633	1.9
235.06061	0.3
305.78006	0.2
367.12479	2.7
368.12781	0.2
529.15521	23.6
530.15845	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	529.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	3.6
57.03322	3.7
58.00489	1.0
59.01252	14.5
62.05466	0.7
69.03323	1.5
71.01254	20.3
71.04916	0.7
72.97395	0.9
72.99191	1.6
73.02427	0.5
73.02818	15.6
75.00780	0.9
81.03355	2.3
83.01257	70.9
83.04933	0.8
84.01560	1.4
85.02834	10.6
85.99969	1.1
87.00753	3.8
87.04409	2.8
89.02328	5.7
95.01243	1.6
96.95913	1.1
97.02845	1.5
99.00752	18.9
99.04430	1.2
100.01070	0.9
101.02322	72.0
102.02676	2.2
107.82147	0.7
109.02837	1.0
111.04481	1.0
113.02334	7.2
119.03438	2.1
121.02819	0.8
123.08097	1.0
125.01574	0.7
125.02341	3.5
125.06014	1.0
127.00264	48.4
128.00650	2.0
133.02882	2.1
134.54305	0.7
135.08089	1.3
136.05226	2.3
137.02318	0.7
137.09660	0.9
141.03410	0.7
143.03488	0.7
145.01389	2.0
147.08150	2.1
149.06021	1.2
150.06805	1.1
151.00311	1.1
151.07616	2.9
152.08434	0.8
153.09126	1.7
161.02370	7.4
161.04456	3.6
165.09123	11.4
177.09146	2.0
179.05542	0.8
193.08649	0.6
203.10773	0.9
218.75607	0.7
220.11119	1.9
221.11848	2.5
231.10977	0.6
237.02206	0.7
237.11482	0.7
247.08304	2.2
269.10400	2.3
281.13995	1.0
358.83911	0.7
401.14169	1.2
401.18616	1.9
437.30478	0.8
510.95490	0.7
529.19513	100.0
530.19855	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	529.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13816	1.6
55.01759	2.7
57.03330	4.3
58.00457	1.7
59.01252	35.8
61.30856	1.6
61.98706	58.5
69.28466	11.4
70.19810	1.4
71.01251	47.3
71.69120	1.7
72.99189	2.9
73.02819	14.1
78.95787	1.9
83.01266	7.6
84.94233	1.5
85.02819	15.9
87.00750	100.0
88.01106	2.4
89.02323	20.6
89.87635	1.8
95.01273	2.9
98.20596	3.5
99.00749	10.5
101.02324	37.3
111.00751	1.8
113.02341	16.1
114.02695	1.9
115.55588	1.6
116.02373	1.6
119.03403	4.5
124.90191	1.6
127.00322	1.9
131.03395	1.8
133.02863	2.2
143.03419	3.6
159.02928	4.5
161.02391	8.6
161.04433	14.6
173.11754	6.0
196.38478	1.8
209.85474	1.6
219.12329	1.9
247.06996	1.5
291.14468	20.6
292.15005	3.2
318.04352	1.8
320.16983	1.6
335.17050	27.6
336.17487	3.0
423.18744	89.9
424.19055	15.8
467.21664	9.5
529.21405	37.7
530.21771	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	529.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.0
57.03319	3.7
58.00465	3.0
59.01253	86.0
61.98706	5.2
69.03332	0.9
69.41977	1.8
69.42382	5.1
70.69535	1.0
71.01256	75.1
72.01581	1.9
72.99185	6.5
73.02816	20.7
75.00755	1.2
78.95818	1.9
80.91559	7.3
83.01270	7.6
85.02827	26.0
87.00750	3.4
89.02321	68.2
90.02650	1.8
95.01267	4.4
97.02842	1.7
99.00760	51.2
100.01060	1.3
101.02324	40.7
109.06480	2.5
111.00781	1.1
112.01534	1.0
113.02340	34.7
114.02657	1.2
117.37977	1.0
119.03393	24.3
125.02346	2.4
131.03378	10.0
131.04132	0.9
133.02867	2.8
135.04430	1.7
143.03404	5.4
145.02896	1.3
149.04465	20.9
151.00322	1.7
152.99487	1.2
159.02980	1.3
159.99052	1.1
161.02377	7.1
161.04451	18.1
171.99919	0.9
179.03319	1.1
179.05547	5.9
191.05539	19.7
192.05957	1.0
224.58414	1.0
233.06633	4.0
235.17058	2.7
238.08051	1.1
244.52650	1.0
249.14383	1.1
253.79836	0.9
285.04086	1.0
293.09048	1.2
329.06720	2.0
331.19144	0.9
353.10345	7.4
354.10599	1.1
397.22324	39.5
398.22610	5.9
447.22552	1.6
529.13879	2.8
529.26672	100.0
530.27026	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	529.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.3
57.03325	0.4
58.00470	0.4
59.01251	8.6
61.98708	0.2
69.03315	0.3
69.19337	1.6
71.01252	6.8
72.99177	0.4
73.02829	1.0
73.48112	0.2
76.21365	0.1
83.01254	0.6
85.02819	1.5
87.00759	0.7
89.02321	6.2
91.03876	0.2
95.01258	0.4
95.04912	0.3
99.00754	0.3
101.02321	6.7
111.08039	0.4
111.31090	0.2
113.02329	2.9
113.09605	0.4
114.02641	0.2
119.03406	1.6
125.02375	0.2
143.03380	0.6
147.73372	0.2
161.02455	0.2
161.04460	3.2
162.04866	0.2
167.10672	0.2
171.10222	0.3
177.12714	0.2
179.05508	1.3
179.14322	1.0
195.13831	8.9
196.14380	1.1
196.32988	0.2
205.12273	0.7
205.15952	0.5
211.13309	0.7
223.13356	6.4
224.13934	0.5
228.13609	0.8
231.21095	0.5
235.08246	0.4
239.12708	0.3
249.22160	0.2
253.09264	30.2
254.09660	1.8
256.13132	1.4
265.21671	0.4
275.20181	5.5
276.20428	0.4
293.21219	100.0
294.21576	11.1
373.93536	0.2
413.60089	0.2
450.79391	0.2
492.22101	0.5
529.29059	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05495	0.1
52.85259	0.2
55.01756	0.3
57.03318	0.4
58.00465	0.3
59.01249	8.2
61.98689	0.2
62.53122	0.1
69.03315	0.4
71.01252	6.4
71.04889	0.3
72.99194	0.4
73.02824	0.9
74.96046	0.1
78.95769	0.2
79.62788	0.1
83.01242	0.9
85.02821	1.5
87.00741	0.7
89.02315	5.9
91.03842	0.1
95.01272	0.4
95.04894	0.1
97.02837	0.3
98.20603	0.2
99.00732	0.3
101.02321	6.5
102.02678	0.1
111.08035	0.4
113.02331	2.9
113.09597	0.3
119.03397	1.7
125.02370	0.2
131.03325	0.3
139.16472	0.1
141.09068	0.2
143.03409	0.6
161.02374	0.3
161.04468	3.3
161.60309	0.1
167.10699	0.3
171.10184	0.2
177.12779	0.3
179.05547	1.3
179.10709	0.1
179.14333	1.1
181.12218	0.2
183.10126	0.2
184.43805	0.1
195.13838	9.7
196.14427	1.0
201.99344	0.1
205.12262	1.0
205.15915	0.3
211.13304	0.3
223.13347	6.4
224.13815	0.4
228.13620	0.6
231.21075	0.6
235.08067	0.2
253.09259	30.4
254.09583	1.5
256.13113	1.2
257.13605	0.2
265.21716	0.5
275.20160	5.4
276.20523	0.7
283.89059	0.1
293.21216	100.0
294.21548	10.7
294.24136	0.1
321.30759	0.1
351.05884	0.2
492.22034	0.7
495.14319	0.1
517.74030	0.2
529.31110	0.4
541.10059	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01583	1.2
61.98697	5.0
70.08975	1.7
71.01239	4.2
76.62285	0.4
83.30121	0.4
85.02836	1.5
88.19640	0.4
89.02321	3.1
92.06333	0.4
93.09755	0.4
101.02347	1.8
113.02326	1.6
119.03349	0.7
161.02379	1.4
161.04478	0.7
161.59142	0.4
170.19965	0.5
190.58231	0.4
229.68314	0.4
275.20212	1.0
277.15970	0.5
293.21188	3.2
419.06943	0.5
437.25385	4.9
438.25531	0.8
491.16061	0.6
529.31250	1.9
530.33008	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3534
Annotation	Rubianol b
Peak:m/z	Relative Intensity
55.38875	0.5
57.03326	0.9
59.01252	15.8
61.52893	0.5
61.98705	1.1
71.01244	1.1
71.04898	5.5
71.51634	0.6
78.95770	0.7
83.04898	2.1
96.95838	0.7
113.09637	1.4
131.46664	0.4
139.49696	0.5
139.79315	0.5
160.80946	0.5
161.02342	1.6
171.10146	1.2
173.11710	1.2
221.19058	0.9
239.14182	0.5
253.09341	2.6
255.74808	0.5
263.24939	0.6
265.18045	1.0
283.19217	0.9
287.32199	0.5
293.21231	14.1
294.21555	1.9
301.20203	0.5
348.08850	0.5
409.31259	1.2
457.31735	4.0
458.31595	0.7
469.33188	4.7
470.33374	1.1
479.90125	0.6
500.43637	0.5
511.34500	0.6
529.35370	100.0
530.35718	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55557	0.8
59.01253	100.0
60.01577	1.3
69.22731	7.4
78.95778	0.7
90.29065	0.8
96.95924	2.8
98.20624	1.0
111.63123	0.7
116.49198	0.7
117.16842	0.6
143.71684	0.7
145.16679	0.7
161.02393	0.7
161.24837	0.7
235.75604	0.9
244.63579	0.7
245.27991	0.8
279.23251	4.3
293.21219	1.4
308.33841	0.8
350.59262	0.7
432.74741	0.8
447.25375	1.5
525.75031	1.1
529.22748	1.0
529.30951	2.2
558.21124	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3536
Annotation	Rubianol b
Peak:m/z	Relative Intensity
58.00472	0.3
59.01255	16.6
60.19435	0.3
60.58212	0.3
63.65488	0.3
64.00765	0.3
65.40148	0.3
65.84753	0.3
69.21146	1.0
69.21573	1.7
71.01274	0.3
71.04903	2.0
75.00767	0.4
78.81012	0.3
78.95765	0.3
83.00864	0.3
83.04868	0.3
104.24774	0.3
141.94481	0.3
161.02368	0.8
204.64320	0.3
253.09248	0.4
275.20386	0.4
293.21170	1.2
423.32901	0.4
451.31982	0.8
467.31863	0.5
469.33249	3.9
470.33408	0.4
485.36258	0.6
511.26395	0.6
511.34235	11.5
512.34619	2.3
529.35370	100.0
530.35712	23.7
558.78125	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91218	0.5
59.01249	100.0
60.01580	1.3
60.15772	0.5
60.38626	0.5
75.00735	1.2
89.41213	0.5
101.02328	0.6
117.03162	0.5
161.02379	1.5
162.42606	0.5
194.19321	0.5
253.09320	0.8
293.21207	3.4
453.33984	3.1
529.17511	0.6
529.26776	1.0
529.35394	13.5
530.35669	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	529.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03087	0.4
59.01251	100.0
60.01595	1.0
61.98715	0.6
69.25945	2.0
69.26366	1.5
96.95885	1.0
121.04062	0.5
126.85719	0.4
208.76323	0.5
471.34930	1.6
529.29095	0.6
529.36127	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.3
61.98702	100.0
62.98394	0.2
68.42973	0.1
71.01238	0.9
71.68059	0.1
71.90150	0.2
72.99174	0.2
73.02829	0.2
85.02847	0.3
89.02348	0.3
95.01304	0.2
99.00792	0.1
101.02349	0.4
107.43335	0.1
113.02347	0.3
119.03353	0.2
135.04428	0.2
143.03484	0.2
145.02811	0.2
152.01157	0.1
161.02444	0.3
161.04434	0.2
179.03336	0.2
338.89612	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	530.302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25478	1.0
59.01251	8.5
61.98707	12.9
68.10658	1.1
71.01248	2.9
71.69192	0.8
71.88008	0.9
75.00739	3.1
78.95777	20.5
85.02819	3.9
87.00750	1.2
95.01275	1.1
99.00735	1.4
113.02328	3.8
114.02655	1.2
131.22552	1.0
136.22835	0.9
150.02922	1.0
152.99487	3.7
168.04179	3.1
176.17897	1.0
224.06943	6.7
229.33305	0.9
242.07916	1.9
255.23273	100.0
256.23590	11.7
277.21719	10.3
278.22162	1.3
279.23267	3.7
280.23618	6.5
362.19858	1.2
445.23608	2.8
458.37683	1.0
480.31006	61.6
481.31305	11.2
530.22205	2.0
530.30188	11.5
531.31140	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	531.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.6
59.01255	16.5
65.40664	1.0
69.03304	1.1
69.16384	10.1
71.01255	12.6
71.04871	3.6
72.99180	1.1
73.02802	1.8
77.06663	1.0
81.03334	13.1
82.03638	0.9
83.01243	2.7
84.02017	1.1
85.02817	2.0
89.02317	9.8
98.19617	1.6
99.00724	2.1
99.04391	6.2
101.02323	9.8
110.20628	0.9
113.02332	5.8
116.04654	1.2
117.03321	2.2
119.03378	4.8
125.02310	2.9
132.02019	1.0
133.02823	3.8
134.02681	2.0
134.03638	31.6
135.04463	4.4
143.03409	23.7
147.04442	5.3
148.05165	3.5
149.04539	1.0
149.05925	5.1
151.03960	1.0
158.03661	1.7
160.01582	8.7
160.03790	1.0
161.02347	9.4
161.04434	2.2
163.43561	0.9
164.04584	1.2
164.23523	0.9
165.05528	7.6
175.03908	13.8
176.04720	12.5
177.01825	3.6
177.05238	1.5
178.02533	2.8
179.03409	3.4
191.07069	20.8
192.04178	1.9
192.07373	1.3
193.04994	27.9
193.06828	1.6
194.05348	2.5
207.06520	4.2
217.04819	1.4
221.04411	1.1
235.06062	37.8
236.06375	3.0
251.05496	3.4
265.07205	6.7
281.06708	7.2
295.08182	9.4
327.10757	2.3
341.08640	3.8
347.79434	0.9
355.12473	42.9
356.12650	3.9
369.12045	1.2
389.74887	1.0
430.64108	1.1
495.24454	5.4
499.14566	7.1
531.17029	100.0
532.17279	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	531.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33017	0.7
55.01751	3.0
57.03328	5.4
59.01251	13.3
61.98692	2.4
62.81630	0.7
69.03332	0.7
71.01253	14.0
71.51003	1.2
72.99171	1.1
73.02818	18.1
78.44390	0.7
81.03333	1.3
83.01258	64.0
84.01598	1.4
85.02811	4.4
87.00729	1.1
87.04392	1.8
89.02315	7.9
98.02396	0.8
99.00763	10.3
101.02324	53.7
102.02628	1.1
113.02322	4.6
115.03934	0.7
119.03394	3.2
122.03602	0.9
125.02315	1.7
127.00265	30.7
128.00540	0.6
133.02829	2.4
135.08046	2.3
136.36763	0.8
136.55986	0.8
145.01369	1.7
145.02881	1.5
147.08083	3.5
151.00269	1.1
160.03969	1.2
161.02356	5.5
161.04393	1.4
161.09630	1.3
162.02686	2.7
163.02896	1.6
163.11223	2.9
175.03888	1.0
175.07504	3.8
178.99791	2.7
179.05576	1.5
189.09171	4.2
190.10040	0.8
205.12289	9.0
223.13322	2.0
283.04880	1.0
307.06543	1.5
531.20905	100.0
532.21204	16.8
550.59125	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.3
57.03321	0.7
58.00461	0.6
59.01247	8.4
61.98706	1.1
70.91918	0.4
70.92244	0.3
70.94543	0.2
71.01254	6.5
72.99170	0.5
73.02827	1.6
75.00742	0.3
78.95785	0.5
83.01289	0.9
83.04877	0.2
85.02818	3.1
87.00728	1.0
89.02317	3.3
89.02836	0.3
91.46388	0.2
93.03337	0.6
95.01259	0.6
96.95889	3.1
96.96851	0.7
98.02328	0.2
99.00753	2.6
101.02321	3.9
113.02339	3.1
116.92784	0.3
117.03348	30.3
117.21541	0.2
118.03645	1.2
119.03401	1.1
119.04915	16.9
120.05271	0.6
121.02843	0.9
123.04412	0.5
131.03447	0.5
132.05725	0.5
133.02899	0.4
133.06482	2.6
134.03598	0.3
135.04379	0.4
137.02361	0.4
143.03358	0.5
145.02852	100.0
146.03188	4.6
147.04420	0.4
149.04453	0.9
151.03889	0.4
151.07559	0.5
152.08348	0.3
153.01782	0.3
153.09145	0.4
154.99812	0.2
159.04439	0.4
161.02357	0.7
161.04500	2.0
161.05984	6.8
162.03029	0.2
162.06367	0.3
163.03912	24.9
164.04213	1.2
172.05215	0.2
173.05974	0.3
175.07530	0.5
176.08302	0.7
177.05490	2.8
178.09854	0.6
179.03406	0.5
179.05576	0.4
187.03949	0.9
187.11205	1.1
189.09215	0.4
190.09816	0.3
191.05510	1.0
205.04999	11.7
205.12239	2.5
206.05319	0.6
213.14951	0.3
223.13336	0.5
235.06093	7.2
236.06488	0.6
247.06136	0.4
265.07156	15.2
266.07492	1.0
307.08298	1.4
325.09338	1.9
326.09476	0.3
329.06845	0.4
399.23715	0.9
448.28873	0.2
469.29404	0.5
487.30679	0.4
513.21216	0.3
531.22217	33.7
531.29144	5.1
532.22522	5.6
532.29382	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.5
57.03320	0.4
58.00467	0.3
59.00951	0.5
59.01248	8.9
61.98693	1.3
65.12976	0.3
67.08997	0.3
69.80965	0.9
69.81367	0.5
71.01249	6.0
71.72293	0.3
72.99172	0.8
73.02819	1.9
75.00747	0.5
81.03323	0.5
83.01263	0.7
83.04893	1.0
85.02814	2.2
87.00739	0.8
89.00468	0.3
89.02322	2.7
93.03339	6.1
95.01266	0.7
95.04936	0.3
98.19768	0.3
99.00740	0.9
101.02322	3.0
109.02811	0.9
111.00733	0.4
111.04401	4.3
112.04807	0.3
113.02321	2.4
117.03348	29.5
118.03687	1.3
118.97967	0.5
119.03512	0.7
119.04912	20.9
120.05254	0.6
121.02838	0.6
121.06472	0.3
123.04450	0.4
131.03412	0.4
132.05690	0.7
133.06502	3.1
134.03499	0.3
137.02354	4.1
145.02853	100.0
146.03204	5.0
147.04373	0.4
149.04460	0.5
149.05962	0.5
155.03410	4.8
159.08038	0.4
161.04578	0.7
161.05983	10.3
161.09622	0.6
162.06410	0.4
163.03917	34.7
164.04268	1.3
175.03928	0.4
175.07562	0.8
176.08316	1.1
177.05499	4.5
178.09900	0.5
179.03305	0.4
179.05565	0.5
185.01863	0.3
185.21069	0.4
187.03979	1.2
187.11224	1.3
189.09142	0.6
190.09836	0.8
204.11575	0.4
205.05002	18.4
205.12285	3.0
206.05347	0.9
213.14931	1.1
217.04924	0.4
233.06679	0.3
235.06084	11.2
236.06476	0.7
236.14157	0.5
237.14870	0.7
255.16171	0.4
265.07153	24.8
266.07462	1.5
279.66232	0.3
307.08115	2.6
308.08304	0.4
325.09296	3.6
344.95197	0.3
389.28534	0.5
407.29523	0.4
471.20987	0.3
487.19824	1.4
488.20212	0.3
513.21094	0.5
531.22437	19.7
531.29669	7.1
532.22772	4.0
532.30048	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2808
Annotation	Multifidoside C
Peak:m/z	Relative Intensity
51.64073	0.7
55.01742	3.8
57.03300	2.6
58.00453	1.6
59.01252	46.3
60.01577	0.9
61.98712	5.5
63.11270	0.8
71.01255	65.8
71.04891	0.8
71.75643	0.9
72.99170	3.5
73.02824	22.3
75.00735	1.4
81.41943	0.9
83.01255	7.3
85.02825	29.6
87.00748	3.0
89.02319	34.6
93.03352	0.9
95.01268	5.5
97.02824	1.3
99.00761	33.3
100.64565	0.8
101.02325	40.8
102.02685	1.0
104.70845	0.9
111.00771	1.4
112.01475	0.9
113.02332	33.0
114.02666	1.2
114.37505	0.9
119.03400	11.5
120.41158	0.9
125.02281	2.4
127.07547	1.0
129.01801	1.0
131.03365	3.6
133.02811	0.8
137.02333	1.4
143.03439	4.9
149.04469	12.3
159.02927	4.8
161.02359	1.9
161.04469	32.6
162.04802	1.0
179.05580	5.0
191.03990	1.0
191.05556	12.9
192.05911	1.2
197.11673	1.2
213.14960	0.9
219.17490	6.6
229.14456	1.3
233.06648	3.3
237.18591	2.8
309.20596	2.6
313.18661	0.9
399.23856	15.9
400.24164	1.1
425.30771	2.4
433.20657	2.3
443.22842	3.4
469.29526	1.8
487.30612	2.9
489.25940	0.9
513.40625	0.9
531.28204	100.0
532.28546	17.0
533.71216	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2812
Annotation	Multifidoside C
Peak:m/z	Relative Intensity
55.01749	3.4
57.03321	2.2
58.00459	4.3
59.01251	78.8
60.64535	1.3
61.98719	1.2
62.79107	1.0
71.01254	52.7
71.51936	1.1
71.52352	1.2
72.99174	3.2
73.02816	17.3
83.01241	5.2
85.02825	20.7
87.00733	1.9
89.02318	58.7
95.01260	4.3
99.00755	39.4
100.01111	1.5
101.02319	34.7
113.02338	30.7
119.03390	20.9
125.02377	1.2
131.03381	6.5
133.02885	1.6
135.04399	1.3
139.06384	1.1
143.03383	5.6
145.02834	3.8
149.04478	18.3
159.02922	1.3
161.02423	2.1
161.04465	16.6
163.03830	1.1
179.03455	1.8
179.05510	4.9
191.05553	17.3
192.05821	1.3
209.88692	1.0
212.53552	1.0
218.57616	1.3
233.06615	3.4
399.23898	22.0
400.24274	3.9
531.28125	100.0
532.21222	1.3
532.28607	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	6.1
57.03315	5.1
58.00457	4.3
59.01250	100.0
61.98706	2.6
69.03333	1.5
69.42976	8.8
71.01251	85.0
72.01607	1.3
72.99187	6.3
73.02817	36.2
75.00739	2.0
83.01263	9.0
85.02821	31.9
87.00747	4.8
89.02316	84.1
90.28651	1.2
95.01260	6.6
99.00753	94.7
101.02322	47.9
101.03001	1.8
102.02678	1.6
108.02020	2.2
109.02781	2.2
113.02328	57.2
114.02675	1.3
119.03394	20.5
125.02273	2.4
131.03384	13.8
135.04414	1.5
141.46652	1.2
143.03400	5.5
145.01697	1.7
145.02823	5.2
149.04456	52.2
150.04808	2.3
152.01025	3.2
159.02869	2.8
161.02399	1.4
161.04483	29.2
161.05898	2.1
162.04829	1.9
165.34428	1.3
179.03656	1.1
179.05482	5.1
191.05534	43.5
233.06641	10.1
263.86877	1.3
293.08698	3.3
375.06598	1.4
399.23840	23.4
400.24155	2.6
531.28113	99.2
532.28381	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	531.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.5
58.64463	0.3
59.01251	12.4
61.98714	0.4
70.80236	0.3
70.80573	0.5
71.01254	4.8
73.02810	0.9
83.01267	0.7
85.02817	0.9
87.00728	0.7
89.01768	0.3
89.02311	4.5
90.28713	0.3
95.01284	0.4
95.80682	0.2
99.08027	0.2
99.40611	0.3
101.02322	6.1
107.67399	0.2
109.70655	0.2
113.02323	2.1
113.09607	1.4
119.03358	1.3
123.90719	0.3
126.18969	0.3
137.99760	0.3
143.03445	0.4
151.53636	0.2
161.04471	2.1
177.12743	0.5
179.05539	1.0
179.14323	0.8
181.12335	0.3
187.09633	0.4
195.13847	14.8
196.14212	1.2
233.22685	0.4
251.23749	0.4
253.09270	25.2
254.09615	1.2
259.20871	0.3
277.21741	13.8
278.22107	1.0
287.22342	0.5
293.20969	0.3
295.22781	100.0
296.23141	10.6
371.05511	0.3
471.31027	0.3
531.33948	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01583	1.3
61.98699	1.1
62.84787	0.3
71.51807	0.5
78.95800	0.5
100.32073	0.4
121.02830	0.9
147.04459	1.0
157.40247	0.3
196.89456	1.4
366.84195	0.4
369.85654	0.4
396.03076	0.4
531.35107	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06272	1.5
57.03315	5.5
59.01252	25.0
61.98699	4.0
65.00201	5.5
68.99725	1.4
69.23075	12.6
71.01253	17.6
72.99181	5.9
73.02824	6.2
74.99001	1.3
75.00743	4.1
81.14959	1.5
83.01260	5.9
84.87499	1.3
85.02809	16.0
87.00761	6.0
89.02325	11.8
93.03354	1.6
95.01254	6.0
98.19782	2.8
99.00761	12.5
101.02303	9.8
103.00261	2.8
107.01266	6.8
108.02085	1.5
109.02818	6.5
109.33144	1.4
111.00796	1.9
113.02330	25.1
115.00259	2.8
115.90601	1.4
117.03406	2.1
118.02962	1.3
119.03410	1.5
119.04919	2.3
121.02892	1.7
123.00825	2.6
123.04398	2.5
124.01551	2.2
125.02348	11.2
132.02068	2.7
133.02888	3.9
135.04399	2.5
137.02344	54.5
138.02682	2.2
139.00266	2.0
145.02887	8.4
147.04436	4.3
149.04485	5.1
151.00269	21.5
152.00934	2.8
153.01936	1.5
158.02397	1.3
160.03874	1.8
161.02348	4.9
161.04436	3.2
163.00304	2.3
163.03879	2.6
164.03436	68.5
165.03802	3.0
169.01460	1.8
175.02397	5.8
177.01797	4.5
178.99763	4.5
179.03461	5.1
183.04320	2.2
184.24677	1.3
188.03491	1.6
189.04219	1.6
191.05415	1.5
193.03471	1.6
197.30174	1.3
203.03267	1.7
205.01367	3.7
206.04520	4.7
209.06075	4.8
211.03839	2.8
212.04843	2.0
214.02573	1.9
216.04167	1.5
227.03304	1.5
229.04855	2.3
231.03101	2.1
232.02353	6.6
239.03392	1.5
240.04260	3.5
247.32756	1.7
255.03000	9.4
256.03677	2.4
257.04572	3.1
268.03784	4.5
269.04529	4.9
271.02472	2.7
283.02414	7.3
284.03232	16.4
285.03986	6.7
286.04602	2.1
286.07349	1.8
294.07684	1.4
296.03201	2.9
297.03970	7.5
298.04831	20.1
299.05591	28.2
300.02802	9.3
300.05884	2.2
301.03482	3.7
301.07184	4.0
307.04874	4.0
311.05582	11.6
312.08820	2.1
314.06946	2.3
315.05115	15.4
323.04279	11.6
324.05020	9.6
328.08243	15.1
329.03036	2.4
329.06488	3.1
338.02563	1.7
338.06705	57.9
339.07187	6.7
340.06812	6.5
356.07736	100.0
357.08206	12.2
474.08252	1.8
489.10550	1.9
514.09882	3.7
532.10736	15.4
533.11090	2.9
533.22913	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	532.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60957	0.1
57.03317	0.9
59.01254	2.1
60.01569	0.1
61.98706	0.7
65.80330	0.1
67.18980	0.2
68.01301	0.2
71.01265	1.6
72.01579	0.1
72.99161	0.2
73.02819	0.7
75.00749	0.2
78.91765	0.3
80.91566	0.5
83.01275	0.4
85.02834	0.6
87.00803	0.2
89.02312	1.4
93.03397	0.1
95.01250	0.2
98.02361	0.4
99.00752	1.1
99.04395	0.7
101.02321	1.2
102.01868	0.1
111.00718	0.1
113.02319	0.9
118.02886	0.7
119.03391	0.5
123.04372	0.2
125.02380	0.3
126.02627	0.2
131.03641	0.8
132.04454	2.9
143.03355	0.3
144.71205	0.1
145.02939	0.3
149.04454	0.5
159.03171	10.7
160.03951	100.0
161.04308	5.7
165.09088	0.2
177.01842	0.3
179.05499	0.3
202.05014	0.2
204.02962	3.3
241.68764	0.1
304.08218	0.3
322.09348	0.5
381.14114	0.2
488.19205	3.2
489.19559	0.4
532.18164	9.3
533.18213	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0937
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.01756	2.9
57.03309	5.1
57.93096	2.8
58.00480	3.8
59.01252	80.6
61.98701	12.4
65.00237	2.2
71.01254	50.1
71.52679	3.2
72.99185	6.5
73.02831	14.7
74.98972	2.6
75.00746	5.7
78.63070	2.2
83.01264	9.6
85.02821	18.8
87.00742	8.5
89.02316	45.7
93.03336	2.9
95.01251	5.6
98.02344	2.6
99.00776	11.7
100.63130	2.3
101.02311	31.8
102.98412	3.0
107.04819	2.3
108.02066	3.1
113.02325	25.1
113.03421	3.0
117.01868	2.8
117.03367	3.9
118.97974	6.3
119.03399	17.5
119.04930	8.2
121.02900	3.4
123.04433	6.8
125.02384	2.4
129.10237	3.0
131.03453	4.6
131.04475	3.1
133.02844	6.1
135.04431	6.7
137.02386	6.4
143.03421	5.0
145.02884	27.6
145.03961	4.0
149.02513	3.2
149.04459	3.5
149.06030	2.4
150.03157	4.6
151.03949	4.8
160.01569	3.0
161.02345	11.5
161.04434	12.0
163.00325	3.5
163.03903	8.0
165.05486	6.8
167.03450	3.8
171.04332	2.7
174.01677	2.5
175.03955	3.8
179.03432	7.2
179.05568	7.8
189.05385	2.9
191.05602	2.8
193.05019	4.4
205.04910	3.3
227.03432	23.6
228.03972	3.6
229.05078	8.1
235.06145	3.2
249.05727	2.4
255.02965	52.7
256.03552	4.6
257.04636	4.6
267.06802	2.6
284.03247	73.5
285.04019	100.0
285.07199	5.6
286.04437	8.7
299.43735	2.6
341.10251	3.2
353.10275	11.8
354.10529	2.6
375.20554	3.4
489.10403	48.1
490.10675	7.8
490.23096	8.9
533.24884	25.2
534.25885	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	533.1303
Annotation	Rhamnazin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.66905	0.4
59.01252	7.0
61.98706	3.0
65.00198	0.7
66.51313	0.4
69.47932	2.6
71.01240	3.0
71.04885	1.1
73.02816	1.3
78.95732	0.5
83.01252	0.5
85.02786	0.9
89.02312	1.7
97.02842	0.6
99.00751	1.2
101.02335	1.6
105.68220	0.5
108.02037	1.1
109.02784	0.4
113.02323	1.4
117.03349	0.7
121.02840	0.7
132.04477	0.5
135.04398	0.9
137.02362	1.4
145.02896	2.7
152.01077	0.7
153.01952	0.6
161.02374	1.0
161.04463	0.5
163.03925	0.6
165.01848	3.5
179.03395	0.6
191.14420	0.5
193.68047	0.5
198.03145	2.5
199.03842	1.0
209.07089	0.5
213.05452	1.0
214.02692	2.2
215.03416	0.9
225.05988	0.4
226.02673	4.2
227.03337	0.7
241.01393	0.6
241.05106	1.4
242.02176	12.9
243.02916	5.4
245.00885	2.6
254.02133	7.4
255.02739	1.3
257.04562	8.2
258.05130	1.0
264.21808	0.5
269.04535	6.4
270.01709	14.3
270.04684	1.0
271.02466	13.2
285.04037	12.6
286.04486	2.3
298.01126	3.2
299.01959	17.4
299.05353	0.8
300.02396	2.0
301.07208	0.9
313.03543	71.4
314.04248	30.9
315.04623	2.3
328.05872	40.2
329.06656	100.0
330.07019	10.7
471.30899	0.9
473.27719	0.6
489.32114	0.6
491.11594	0.6
532.28308	0.7
533.13025	24.7
533.22443	1.2
533.31030	14.2
534.13293	4.4
534.31250	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.6
55.64711	0.5
57.03308	0.7
58.00457	1.3
59.01250	24.9
61.98701	1.7
70.37695	1.0
70.38064	0.9
71.01253	21.1
72.01608	0.5
72.99169	2.6
73.02824	3.1
75.00752	1.0
83.01262	2.0
85.02820	4.3
87.00779	2.4
89.02322	26.4
95.01270	1.9
99.00749	4.7
101.02321	12.7
108.65448	0.6
113.02334	10.3
119.03402	10.2
120.03672	0.7
128.03430	0.9
129.01875	0.7
131.03410	1.5
137.02293	0.5
137.09584	0.6
143.03369	2.0
143.04553	1.6
145.83968	0.6
148.05211	0.9
149.04587	5.1
149.05989	100.0
150.06351	5.4
150.43996	0.5
160.00694	0.6
161.04475	3.0
179.05560	5.2
191.05536	1.4
200.42670	0.5
221.11765	0.5
233.06683	0.7
264.31253	0.5
266.40805	0.5
272.08804	0.7
305.30008	0.5
306.07620	3.3
311.11371	23.7
312.11694	2.0
324.79129	0.6
367.12494	1.2
533.20105	1.2
533.26862	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67939	0.6
55.01748	3.3
57.03318	3.1
57.42290	0.5
58.00469	4.6
59.01250	92.2
60.01592	0.7
67.01763	0.5
68.99667	0.7
69.03324	1.5
69.32401	3.4
71.01253	80.9
71.35681	0.5
72.01602	1.0
72.99178	10.3
73.02821	17.4
75.00758	1.7
81.03336	0.7
83.01267	4.8
83.04907	0.6
85.02827	25.2
85.16402	0.6
85.99973	1.5
86.03194	0.7
87.00751	7.5
87.04387	1.3
89.02317	100.0
90.02660	1.2
90.40685	0.5
92.98653	0.6
93.03288	0.7
95.01261	6.5
96.95906	1.0
97.02825	1.2
99.00755	49.9
99.04382	1.2
100.01073	1.1
101.02321	36.5
102.02721	0.7
104.81114	0.6
107.04879	0.7
109.02820	1.2
111.00774	0.9
113.02332	42.2
114.02674	1.2
114.35655	0.5
115.03908	4.4
115.87074	0.5
117.41428	0.5
119.03391	28.4
120.03711	0.6
121.06493	1.3
123.04411	1.2
123.08025	1.8
125.02322	1.8
125.05975	1.2
127.03839	0.6
129.01779	1.0
131.03398	8.8
135.08081	0.9
136.05209	2.7
137.02315	1.0
137.09610	2.4
138.06747	1.3
139.00215	0.6
139.07440	0.6
143.03412	6.6
145.04967	1.6
147.08057	3.6
148.08310	0.5
149.04434	12.9
149.05943	2.9
149.09708	0.6
150.03107	0.7
150.06718	0.9
151.00284	1.0
151.03918	2.8
151.07579	4.6
152.08258	0.8
153.09056	2.2
155.38676	0.6
159.02831	1.5
159.06476	1.2
161.04469	17.3
161.09677	0.7
162.04709	1.0
162.06757	0.8
165.09125	16.2
166.09384	0.6
173.04422	1.6
173.05884	0.7
175.06102	0.7
177.09134	4.5
179.05539	12.2
179.10565	0.9
181.01291	1.7
191.05537	16.7
192.05937	0.6
193.03484	0.6
195.10139	2.2
203.10809	1.3
206.09398	0.7
219.10152	1.7
220.10881	1.0
221.11752	6.5
223.13358	1.3
233.06523	2.4
233.08687	0.7
235.08066	2.5
237.11176	1.1
239.12724	1.7
247.08073	1.7
249.09816	3.3
263.12778	1.3
281.13925	12.4
282.14224	1.2
293.08899	0.8
327.14313	1.8
351.05576	1.2
367.12405	6.5
368.12613	0.9
371.17163	0.6
381.13998	4.4
401.13196	0.4
401.18161	6.9
402.18060	0.6
413.18396	3.2
461.19379	0.8
515.21252	0.8
533.22357	17.1
534.22418	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	533.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80360	0.5
55.01752	1.2
57.03306	1.2
58.00466	0.8
58.99463	0.6
59.01252	17.2
59.56363	0.5
61.98698	0.6
64.49834	0.4
71.01254	28.7
72.99174	2.1
73.02821	10.6
75.00718	0.5
83.01254	3.9
85.02825	12.8
87.00734	2.4
89.02324	12.5
95.01253	2.9
96.63037	0.5
97.02819	1.0
99.00759	9.5
100.08435	0.5
101.02325	25.2
102.98474	2.0
103.03908	0.4
104.02519	0.5
111.00758	0.9
112.03927	3.2
113.02336	14.9
119.03403	3.6
121.06474	1.5
125.02335	1.4
129.01842	1.2
131.03394	0.9
135.04456	0.5
137.09621	10.4
143.03438	2.6
145.02855	0.7
145.57759	0.4
149.04486	1.0
151.03932	1.1
157.90823	0.5
159.02888	3.6
160.03955	0.6
161.02429	0.6
161.04468	16.1
162.04854	0.8
179.05562	1.2
191.05511	1.2
237.09776	28.8
238.10132	2.3
249.06006	0.5
283.04965	3.6
369.14008	100.0
370.14355	10.5
389.05029	0.5
397.91757	0.5
497.26352	1.1
533.22577	2.2
534.22003	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	533.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82948	0.1
55.01750	0.1
57.03311	0.4
59.01250	1.9
61.98706	0.2
69.24410	0.9
69.36988	0.1
71.01254	1.5
72.99161	0.1
73.02819	0.3
83.01247	0.2
85.02818	0.8
87.00751	0.3
89.02320	0.5
93.03373	0.1
93.59615	0.1
95.01276	0.2
99.00784	0.2
101.02319	1.0
113.02352	0.5
116.02485	0.1
117.03346	27.3
118.03659	1.1
119.03481	0.2
119.04915	6.2
120.05252	0.3
121.02888	0.3
123.04450	0.1
123.08051	0.9
133.02832	0.2
133.06496	0.2
137.09610	0.2
145.02853	100.0
146.03191	4.9
147.04398	0.1
161.02359	0.6
161.04437	0.3
161.05951	0.2
163.03918	6.7
163.11171	0.8
164.04256	0.3
165.05505	0.1
175.02365	0.6
177.05673	0.1
177.52824	0.1
189.12778	0.9
190.13017	0.1
205.05009	0.2
207.13838	0.5
213.14929	0.2
250.17859	0.1
265.07135	0.2
307.08057	0.2
327.21829	0.2
365.14163	0.1
473.33420	0.1
533.23889	53.8
534.24243	11.0
551.62097	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	533.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08355	0.3
57.03333	0.3
58.00472	0.5
58.83109	0.2
59.01244	6.1
60.58247	0.3
60.99199	0.3
61.98699	0.6
64.83174	0.3
69.03321	0.3
71.01250	3.5
71.04886	2.1
71.38839	0.5
72.99185	0.6
73.02824	0.6
74.09834	0.2
83.01260	0.6
83.04886	0.4
85.02847	0.9
89.02312	2.1
93.03357	0.3
95.01251	0.3
99.00758	0.3
101.02306	2.1
113.02344	1.4
117.03345	27.7
118.03693	1.2
119.03526	0.6
119.04912	20.4
120.05271	0.9
121.02859	1.0
131.04945	0.5
132.05719	1.0
133.06490	4.2
133.22025	0.3
134.06888	0.3
145.02852	100.0
146.03200	4.9
159.04422	0.5
160.01540	0.3
161.05992	13.1
162.03185	0.4
162.06357	0.8
163.03915	29.1
164.04221	1.3
170.76746	0.3
177.05496	4.5
187.03973	1.3
193.04852	0.3
201.04507	0.3
205.04996	24.6
206.05354	1.5
217.05077	0.3
235.06091	10.9
236.06366	1.1
239.14381	0.4
252.25558	0.3
257.15439	1.2
265.07156	21.5
266.07504	1.9
271.06128	0.4
273.14963	0.3
275.16574	0.7
291.17520	0.5
307.08197	0.7
307.20685	0.6
319.24112	0.4
325.09183	3.6
348.61008	0.3
475.19852	0.5
489.28598	7.2
490.28784	1.2
515.22919	1.4
533.23718	53.9
534.24103	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	533.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.5
57.03340	0.5
59.01254	8.7
61.98716	1.2
71.01257	3.7
72.99213	0.4
73.02825	1.2
75.00759	1.0
83.01234	0.4
85.02830	2.1
86.83070	0.3
87.00735	0.5
89.02335	1.7
93.03355	1.2
99.00761	0.4
101.02336	2.6
113.02337	1.4
117.03352	27.3
118.03678	1.3
119.03458	0.4
119.04912	9.6
120.05261	0.7
123.04365	0.4
128.03433	0.4
133.02873	1.3
133.06502	0.6
135.04469	0.9
137.02330	1.8
137.56427	0.4
144.89874	0.4
145.02856	100.0
146.03197	6.5
147.03398	0.7
147.04437	0.5
161.02368	2.3
161.04732	0.5
161.05928	1.9
163.03920	11.5
164.04323	0.9
172.01205	0.3
177.05521	0.6
179.03415	0.9
181.73576	0.3
189.12836	0.9
201.11320	0.4
205.04980	2.7
221.88222	0.4
235.06111	1.1
243.20131	0.3
265.07162	2.6
307.08145	0.8
329.23517	0.6
416.15659	0.5
453.30630	0.5
471.30933	0.4
473.27612	0.5
515.29834	0.6
533.23767	52.9
533.30402	5.0
534.17377	0.6
534.24420	9.8
534.31097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33997	0.3
55.01766	1.5
57.03328	2.0
58.00470	4.4
59.01251	80.5
60.01587	1.3
61.02853	0.3
61.92263	0.3
68.99673	0.3
69.03320	0.6
70.53928	0.6
71.01254	74.1
72.01594	1.0
72.99181	10.6
73.02820	5.8
75.00755	1.3
78.19283	0.3
79.53098	0.2
83.01260	3.4
83.04896	0.8
85.02822	15.4
85.99948	0.5
86.03193	0.3
87.00754	5.6
87.04391	0.5
89.02319	100.0
90.02657	1.3
95.01262	4.9
96.95911	0.4
97.02819	0.8
99.00756	16.5
99.04386	0.5
101.02324	34.4
102.02647	0.6
103.00259	0.4
105.01849	0.3
109.02831	0.5
111.00760	0.5
111.04420	0.4
113.02332	31.5
114.02679	0.8
115.03912	1.5
119.03391	30.6
120.03713	0.7
121.06494	0.3
123.04380	0.4
123.08015	0.6
125.02330	1.3
125.05998	0.5
127.00270	0.4
127.03895	0.7
129.01801	0.3
131.03406	5.6
133.01323	0.5
135.04454	0.3
135.08054	0.4
136.05190	0.7
137.09622	0.5
139.00285	0.5
143.02362	0.5
143.03403	5.9
145.04929	0.9
147.08060	0.9
149.04463	6.9
149.05853	0.7
149.09563	0.3
150.03120	0.4
151.00255	0.4
151.03882	1.1
151.07567	1.8
153.01787	0.8
153.09128	0.7
159.02850	0.4
161.04466	9.7
161.09673	0.3
163.00345	0.6
165.09120	6.2
166.09380	0.3
173.04436	0.6
177.09125	1.4
179.05530	14.6
180.05853	0.4
180.90759	0.3
181.01378	2.5
181.04929	0.3
191.05545	5.3
193.03479	0.4
195.10152	0.6
203.10602	0.5
215.45085	0.3
220.10895	0.5
221.11787	2.2
226.88554	0.3
233.06538	1.1
235.08151	0.6
237.11316	0.6
239.12914	0.3
247.08075	0.5
249.09805	1.4
263.12823	0.4
273.75476	0.3
281.11304	0.3
281.13959	3.4
327.14340	0.9
351.05676	2.6
367.12424	2.8
381.13763	1.2
401.18161	1.9
413.17792	1.0
459.14856	0.6
515.21143	0.5
533.08002	0.5
533.22455	6.8
534.22479	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.6
57.03318	1.8
58.00207	0.5
58.00467	4.9
59.01252	88.7
60.01592	1.0
61.98706	0.9
69.03333	0.3
69.78677	1.6
71.01255	75.3
72.01596	1.0
72.99176	6.7
73.02817	5.2
74.02351	0.3
75.00745	1.2
81.03328	0.5
83.01257	5.0
84.00470	0.3
85.02824	16.1
86.03155	0.4
87.00753	4.4
89.02319	100.0
90.02644	1.7
95.01266	4.4
97.02813	0.5
98.20618	0.3
99.00756	3.8
101.02325	48.8
102.02663	0.9
107.54456	0.3
111.00801	0.5
113.02338	32.9
114.02700	1.1
115.00234	0.4
119.03390	49.0
120.03744	1.1
125.02363	1.3
127.00303	0.9
128.03439	0.6
131.03401	5.5
133.01396	0.3
135.04419	0.3
137.02396	0.4
139.00386	0.3
143.03418	7.5
143.04440	0.5
148.05257	0.3
148.51802	0.3
149.04550	5.3
149.05983	31.7
150.05153	0.4
150.06306	2.6
154.79620	0.4
159.02962	0.6
161.04462	10.3
162.04865	0.5
163.03935	0.5
164.04709	0.8
165.09166	0.6
179.05559	19.5
179.07007	1.4
180.05977	0.7
188.49850	0.3
189.19597	0.4
191.05652	0.5
204.10919	0.3
221.11977	0.3
233.06837	0.4
260.82233	0.3
306.07782	1.8
311.11386	7.9
312.11914	1.0
353.19833	0.9
367.12665	1.2
505.32745	0.4
515.21301	0.4
533.09943	0.4
533.26508	12.7
534.26599	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	533.2759
Annotation	Micrandilactone C
Peak:m/z	Relative Intensity
53.97680	0.6
55.01749	0.9
57.03320	1.8
59.01253	9.9
59.31667	0.6
60.99180	2.1
61.98703	12.5
71.01259	8.0
71.04893	28.5
72.05223	0.8
72.99191	2.2
73.02816	3.7
75.00751	2.1
78.95772	0.6
83.01258	1.3
83.04885	4.2
85.02817	2.9
87.00744	0.9
89.02313	3.7
93.03322	1.1
95.01297	0.7
95.04926	1.2
97.06451	0.7
99.00770	0.9
101.02327	4.0
109.02845	0.9
109.06496	1.3
113.02344	2.9
117.03349	27.5
118.03667	1.4
119.03426	0.9
119.04917	14.6
120.05294	0.6
120.13662	0.6
121.02833	0.7
121.06466	1.0
123.04434	1.0
123.08096	1.1
133.06502	1.5
134.03662	1.2
135.04462	1.0
137.02319	1.1
137.09647	0.8
139.07588	0.8
145.02858	100.0
146.03181	4.3
147.04498	0.6
160.01538	1.7
161.02370	1.3
161.04633	1.3
161.06020	4.1
163.03925	16.5
164.04263	0.8
171.11684	1.4
175.03918	1.7
177.01907	0.8
177.05545	1.3
193.05025	2.0
205.04988	5.4
213.12814	0.8
223.11240	5.0
235.06061	3.4
239.14468	3.8
241.12440	1.3
245.15504	1.4
255.13945	0.7
257.12817	1.6
257.15451	20.2
258.15906	1.7
261.16531	0.6
265.07172	4.7
273.14902	2.1
273.16754	0.6
275.16507	8.9
289.16492	0.9
289.19699	2.4
291.17517	4.7
292.17831	0.8
295.17029	0.7
307.08441	0.6
307.20624	10.7
308.20999	1.6
309.18469	1.1
321.18710	0.6
325.09482	0.8
325.21622	1.5
335.16620	0.7
357.22223	1.0
375.23227	2.4
387.16556	1.3
391.26459	1.4
409.27606	0.8
457.46530	0.7
471.27420	1.4
489.28580	98.1
490.28906	18.2
533.27222	55.3
534.27344	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	533.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12741	0.4
59.01250	17.1
60.04604	0.3
61.63176	0.4
61.98703	0.8
69.71823	0.5
71.51862	0.6
75.66347	0.4
77.58212	0.4
78.95776	8.3
85.06490	1.3
93.41571	0.4
110.98421	5.4
110.99142	0.4
131.31502	0.4
145.02876	1.2
152.99513	0.6
155.14334	0.6
165.12816	1.4
167.01079	2.4
181.12265	0.7
185.02138	5.5
192.13858	0.4
199.13324	14.1
200.13641	1.0
206.16525	0.4
261.18472	0.5
279.19623	10.2
279.22546	0.8
280.20047	1.0
293.48395	0.4
347.25900	8.3
348.26443	1.1
363.25577	0.6
365.26962	100.0
366.27298	15.3
401.77582	0.4
473.33087	0.5
533.28882	17.5
534.29291	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	533.3127
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
57.03323	0.7
59.01253	29.7
60.93780	0.5
60.99176	0.6
61.98697	7.2
71.01236	1.3
71.04878	2.1
71.23199	0.9
78.95776	10.9
79.19444	0.5
85.02794	0.8
92.99357	0.6
96.96848	1.6
106.81867	0.5
113.02321	0.7
119.08607	0.8
135.04425	0.6
149.02446	0.5
152.99486	24.5
161.02385	0.6
171.00504	0.6
189.12749	0.7
203.19675	0.5
226.28172	0.5
241.16049	0.6
251.80875	0.6
357.25793	1.0
405.28033	0.6
407.29831	0.8
409.31476	0.7
423.29092	1.1
427.32178	1.5
447.21423	6.9
453.30130	1.1
467.27768	0.5
471.30933	3.0
476.74323	0.6
489.32278	1.3
501.52625	0.6
515.29889	1.1
533.31171	100.0
534.31647	21.3
534.37933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51027	0.3
53.17101	0.3
57.03345	0.6
59.01250	7.8
61.98704	4.1
64.43655	0.4
69.30032	3.0
71.01274	1.5
71.04894	3.5
71.05247	0.4
72.41849	0.4
72.99209	0.5
73.01804	0.4
73.02834	0.8
78.95811	1.5
83.04918	1.0
85.02866	1.2
89.02396	0.6
95.01325	0.5
101.02346	0.8
108.02100	0.6
109.02880	0.5
113.02376	1.2
119.03407	0.4
123.08075	0.4
130.08910	0.4
133.02872	1.4
135.04440	0.9
145.02863	1.1
152.01074	0.8
152.99539	0.7
161.02359	3.2
171.10292	0.4
174.65836	0.4
179.03526	0.7
189.12862	0.4
213.14973	0.5
273.18686	0.4
299.56516	0.4
381.27847	1.0
393.27994	1.2
407.25711	0.6
409.31247	0.6
411.28897	0.6
423.29041	1.3
427.32077	0.7
435.29135	0.5
441.30042	4.3
442.30304	0.8
453.30103	9.5
454.30713	1.8
467.28088	2.3
468.28659	0.4
471.31161	15.8
472.31714	3.0
485.29068	100.0
486.29419	18.2
489.32257	0.7
503.30518	0.5
520.35791	0.4
533.31207	30.3
534.31738	4.9
549.40582	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70462	3.0
57.03321	7.0
59.01246	52.3
60.18987	3.5
61.98703	6.0
62.16322	2.8
65.00188	7.1
65.99706	4.0
71.01250	41.2
71.51254	4.4
72.99185	8.4
73.02808	8.7
75.00732	5.5
77.54640	3.0
83.01254	10.9
85.02819	21.3
87.00738	10.5
88.80041	3.2
89.02309	26.0
91.19154	3.3
91.45010	3.8
95.01254	13.2
99.00753	14.1
101.02323	19.7
107.01281	11.8
108.02067	5.3
109.02821	26.7
111.00743	5.2
111.41219	3.7
113.02329	34.5
119.03370	8.3
121.02855	7.7
123.00773	9.6
125.02333	37.5
131.03413	3.6
133.02841	17.1
134.02342	4.8
136.01559	5.9
136.98730	6.9
137.02362	17.2
139.00261	11.6
140.01140	4.1
141.01816	12.2
144.04562	3.3
146.03654	6.2
147.04408	4.8
148.01576	4.3
149.02332	21.1
149.06001	3.8
151.00278	40.5
151.03889	9.9
152.01059	4.4
153.01823	19.1
153.05518	3.5
160.03989	4.0
161.02359	12.1
161.04387	7.8
162.01903	9.7
163.00308	9.9
163.03915	10.2
164.01089	6.7
164.04662	5.5
164.98180	4.6
165.01837	9.3
166.02623	8.0
166.99789	11.1
167.03476	5.8
169.01357	10.8
174.01845	4.0
176.03473	9.9
177.01848	22.8
178.02567	4.2
178.99760	33.5
179.03363	5.0
179.05620	6.7
179.07014	7.7
180.02838	4.6
181.01299	9.1
181.04961	43.4
187.03981	3.9
190.01215	3.7
190.05020	8.5
193.01442	17.6
193.03329	6.6
193.05019	7.4
194.99220	9.4
201.02058	3.7
203.03391	3.9
204.02887	7.5
205.01352	14.4
205.16711	3.4
206.04507	6.1
209.00806	24.3
211.06017	7.7
214.01343	4.8
216.02943	9.1
218.00761	3.8
221.00940	6.1
222.04048	7.4
227.03580	5.2
229.04813	3.6
230.04431	4.6
232.02487	29.9
241.04967	7.0
243.03029	6.4
248.01935	5.5
254.05624	4.4
256.03647	4.2
257.04385	8.9
259.02173	3.4
269.04501	8.0
269.08188	5.3
270.04352	4.0
271.02408	6.7
273.04044	10.8
285.03949	33.4
286.04144	6.0
294.04108	5.3
295.02255	6.1
296.05591	7.1
299.01831	9.2
300.02695	27.6
301.03357	9.8
303.05096	6.9
312.05212	6.0
313.03510	24.5
313.10901	9.2
314.06894	6.5
315.05173	4.5
317.02737	7.3
322.03519	9.4
330.06064	9.9
331.04416	8.1
340.04565	88.5
341.04968	5.6
343.11807	26.0
358.05658	100.0
358.09869	6.4
359.05771	9.8
373.12979	31.4
385.03976	5.8
493.22781	9.6
516.07556	10.5
534.08942	14.9
534.21405	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.0
58.00463	1.7
59.01249	28.3
59.07448	1.0
59.42345	0.9
61.98708	5.3
69.36208	7.2
71.01255	24.0
72.99184	4.1
73.02817	7.0
75.00732	2.2
79.27396	1.0
83.01260	2.3
85.02813	8.1
87.00768	2.7
89.02323	21.1
95.01273	2.4
99.00757	18.1
101.02325	13.1
108.02051	3.8
109.02831	34.9
110.03154	1.3
111.00774	1.9
113.02333	14.7
119.03395	5.7
121.02838	3.0
122.03605	1.9
123.00794	2.5
123.04431	5.1
124.01559	2.6
125.02307	2.4
128.03438	1.2
131.03409	3.0
132.02272	1.4
133.02873	2.7
134.03622	5.9
135.04419	1.8
136.01544	17.2
137.02332	3.6
139.03906	1.0
143.03427	1.9
145.02863	3.4
146.03651	9.2
147.04405	2.4
148.01576	5.9
149.02315	2.9
149.04466	8.4
149.05820	4.8
150.03094	5.4
151.00273	2.1
151.03922	30.7
152.00987	1.1
153.01823	4.0
153.05478	7.3
159.02882	1.0
160.00562	1.1
161.02368	5.4
161.04482	7.1
161.05998	3.2
162.03104	1.7
163.03941	17.1
164.01070	10.5
164.04697	8.9
165.01881	10.5
165.05432	3.4
166.02609	17.9
167.03375	4.8
175.03902	1.9
177.01865	3.1
178.02644	9.1
178.04944	1.3
179.03471	5.3
179.05573	1.8
179.07062	21.6
180.04192	1.2
180.07491	1.3
181.04988	100.0
182.05399	6.5
183.35454	1.3
191.03923	1.1
191.05557	6.7
192.04208	2.4
193.03319	2.2
193.04996	24.8
205.04938	1.1
207.06520	3.7
211.04013	1.2
211.06041	23.0
212.06348	2.0
232.30975	1.1
233.06705	3.6
254.05817	9.4
255.06566	2.5
268.07376	1.6
269.08151	20.8
270.08878	6.5
282.08844	1.1
283.06070	1.2
283.09790	3.3
284.10577	5.0
285.04053	6.0
285.11151	3.1
286.04480	1.8
293.08676	3.0
298.08621	3.4
299.09384	1.4
301.03448	3.3
306.07428	1.6
307.07962	2.4
310.08401	2.7
311.09491	1.3
313.10748	11.5
325.10828	1.3
328.09485	5.8
329.13763	1.1
341.04858	1.1
343.11844	63.1
344.12228	7.3
373.12918	73.9
374.13327	9.0
403.19809	1.2
442.65329	1.1
475.21872	2.4
493.22845	3.0
535.23792	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.182
Annotation	1-Hydroxypinoresinol 1-glucoside
Peak:m/z	Relative Intensity
55.01738	0.8
57.03290	0.9
57.05410	0.7
59.00987	1.0
59.01250	10.2
69.25994	2.9
69.26426	3.0
71.01257	5.1
72.99181	0.8
73.02803	1.8
75.00748	0.8
83.01273	1.0
85.02804	1.5
87.00799	1.1
89.02319	4.0
94.25126	0.7
95.01256	1.1
98.10795	0.7
98.19820	1.4
99.00734	1.3
101.02317	4.2
108.02043	3.2
109.02831	6.8
113.02341	3.7
114.92988	0.7
117.03471	0.7
119.03365	1.4
119.04907	0.7
120.02073	0.8
121.02831	2.6
122.03635	1.4
123.00755	1.9
123.04409	3.7
124.01548	1.1
125.02331	1.1
125.89360	0.7
133.02831	2.0
134.03656	6.7
135.04428	1.8
135.98309	0.9
136.01517	3.5
137.02327	2.3
145.02824	3.0
146.03642	5.0
147.04391	1.7
148.00360	0.8
148.01550	13.4
149.02411	3.5
149.04585	1.3
149.05986	6.9
150.03152	5.6
151.00179	0.7
151.03905	8.5
152.01126	1.7
153.01808	1.6
153.05473	12.9
160.05228	1.0
161.02356	5.7
161.04448	2.0
161.05980	2.5
162.03110	5.2
163.03909	45.8
164.01041	1.0
164.04697	8.4
165.01904	1.1
165.05508	5.0
166.02655	3.9
167.03453	1.9
174.03093	1.3
175.03906	1.7
177.01843	5.5
177.05473	3.8
178.02643	4.1
179.03438	2.1
179.05505	1.1
179.07034	10.0
180.04034	0.9
181.04987	20.1
188.04668	0.9
191.03383	1.7
192.04213	5.1
193.04985	17.0
194.05457	0.8
195.06526	0.8
197.04518	1.1
207.06560	5.3
209.11766	1.0
211.06065	13.2
219.06541	1.3
225.05673	0.7
254.05838	13.3
254.08481	1.4
255.06467	4.6
266.05841	1.5
267.06558	1.3
268.07376	2.0
269.08160	32.2
270.08835	10.8
271.09509	1.5
272.85925	0.7
281.08078	2.6
282.08801	1.1
283.06494	1.6
283.09631	6.4
284.10516	9.7
285.11206	4.8
295.06052	1.7
297.07986	1.2
298.08398	6.2
299.09113	1.4
310.08521	4.3
311.10071	2.6
313.10797	22.2
314.11182	2.6
325.10626	1.5
328.09503	8.7
329.13904	2.2
337.09192	0.9
340.09433	1.0
343.11841	100.0
344.12225	9.9
355.11957	1.2
373.12912	80.2
374.13257	10.1
535.18610	2.2
535.31317	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50655	0.8
55.01756	0.8
57.03290	1.1
58.00462	2.8
58.02861	1.2
59.01250	45.4
61.98705	4.2
69.50742	1.5
69.51145	5.4
70.50486	0.7
71.01254	29.7
72.01585	1.0
72.99177	4.1
73.02821	5.1
73.06879	0.8
74.01183	0.8
74.02338	1.7
74.84573	0.9
75.00750	5.7
83.01257	3.1
83.02362	1.7
85.02824	8.2
87.00723	1.8
88.98680	1.5
89.02316	29.9
93.03339	1.0
95.01260	2.7
97.02791	1.5
98.20532	1.7
99.00763	8.5
99.05542	1.6
101.02321	18.3
102.01816	1.2
104.04948	3.1
106.06493	4.0
108.04425	5.6
109.02825	1.7
113.02333	12.5
115.00294	0.9
117.03331	1.0
119.03379	7.9
119.04840	0.9
121.02853	4.7
123.00747	2.0
123.04378	1.8
124.01528	1.3
128.03465	5.4
129.03773	1.7
131.03391	1.7
131.07024	1.0
132.04448	43.8
133.02823	1.9
133.04843	2.0
134.06013	28.5
135.04425	2.0
135.06363	1.3
136.01549	2.2
137.02354	2.1
137.09634	1.0
143.03401	2.1
143.04530	7.9
144.04625	1.3
145.02811	2.3
148.03912	2.6
149.04420	4.1
151.03920	2.6
152.07057	3.7
158.02327	1.7
158.06042	4.8
160.00613	2.1
160.03940	1.5
161.02328	3.0
161.04512	4.3
161.05647	1.0
163.03870	2.1
165.05467	1.3
176.03436	8.4
179.03300	1.5
181.04909	1.0
188.03470	3.5
190.05019	5.5
191.05528	2.3
193.04915	0.9
209.11696	2.1
210.08763	1.4
251.11847	7.0
252.12500	1.0
254.07805	1.8
255.11389	2.1
267.11176	1.1
272.08823	1.6
272.33023	0.8
273.09277	1.5
279.11407	16.5
280.11591	1.1
293.08762	1.0
295.10806	2.9
297.41891	0.9
298.08374	1.8
305.09290	1.1
306.07678	10.4
307.07977	7.3
308.07629	1.8
313.10806	5.1
314.12390	1.6
323.07355	1.2
323.10458	8.7
327.08331	1.1
329.13779	1.0
355.12155	1.4
373.12814	10.0
374.13171	1.6
403.19144	1.3
435.17523	5.0
458.15271	1.0
459.17786	18.6
459.81845	1.0
475.17038	2.9
476.17661	1.2
503.16708	100.0
504.17026	16.5
517.18237	6.9
518.18726	1.6
525.98676	0.9
535.19739	6.4
536.20007	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65990	0.1
52.35446	0.1
59.00994	0.2
59.01253	1.9
61.98703	2.4
66.38898	0.1
69.03285	0.1
69.33882	0.9
71.01265	0.2
71.04866	0.2
71.48858	0.1
73.02795	0.3
78.95782	0.6
81.03316	0.6
81.40978	0.1
83.04906	0.2
85.02840	0.2
87.04403	0.1
89.02349	0.2
89.03844	2.1
93.03338	0.3
95.04931	0.2
101.40685	0.1
105.03348	3.5
109.02791	0.2
121.02843	0.2
133.02855	8.6
134.03168	0.4
135.04388	0.2
139.03937	0.1
145.02840	0.4
149.02339	1.0
152.99486	0.5
161.04616	0.2
176.01030	0.4
177.01852	100.0
178.02188	4.8
197.11760	0.2
245.04263	0.2
294.18246	0.1
307.19141	0.3
473.32712	0.4
487.29706	0.2
491.33554	0.2
501.32181	0.2
534.31555	0.4
535.22974	0.7
535.32159	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.2
57.56008	0.2
58.00497	0.1
59.01252	2.4
61.98706	2.0
69.31139	1.3
70.60072	0.2
71.01260	0.5
71.04871	0.2
71.50586	0.2
73.02781	0.2
78.44873	0.2
78.95763	0.6
81.03339	0.2
85.02827	0.3
89.02322	0.2
89.03849	1.9
93.03330	0.3
95.04918	0.2
98.19833	0.3
98.47471	0.2
101.02312	0.3
102.17214	0.2
104.02564	0.5
105.03340	3.1
109.02830	0.2
113.02334	0.2
119.04065	0.3
119.04916	5.6
120.05275	0.3
121.02799	0.3
125.53760	0.2
133.02850	8.9
134.03128	0.3
145.02875	0.4
148.01529	0.5
149.02336	0.8
152.99440	0.3
153.01804	0.2
161.02341	0.4
163.03912	2.6
165.12778	0.2
176.01033	1.1
177.01851	100.0
178.02179	5.5
183.13889	0.8
195.13878	0.3
207.13878	0.2
213.14844	0.9
219.02892	0.2
227.12849	0.5
245.04309	0.3
265.14395	0.2
289.17755	0.2
293.13913	1.3
307.19171	0.2
339.83038	0.2
368.45944	0.2
371.17062	0.4
435.22668	0.2
473.32391	0.3
501.32053	1.5
517.31561	0.6
534.31604	0.2
535.21851	12.2
535.32166	1.4
536.22107	2.7
536.29510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	2.0
59.01256	9.5
61.98688	1.2
62.56782	0.7
65.57557	0.7
69.03356	0.7
69.30274	5.4
69.69791	0.7
71.01247	0.7
73.91837	0.7
78.95774	41.2
80.02547	1.2
81.03322	1.9
83.01255	2.8
83.04913	1.1
85.96580	0.7
95.04896	1.2
96.96851	3.9
97.02846	2.4
97.06469	4.4
99.02396	0.6
107.04842	0.8
109.06458	1.6
121.06474	0.8
123.04453	3.2
123.07989	1.6
125.09632	6.0
126.09974	0.8
135.08025	0.8
137.09628	4.0
149.05978	1.4
150.97939	1.0
151.11234	0.9
152.99489	57.7
155.30966	0.7
163.11197	6.6
165.12766	1.6
171.00572	3.6
171.10011	0.8
177.09090	0.8
179.10773	0.9
181.12241	2.0
185.11746	5.1
191.10698	1.2
191.14322	6.0
203.79390	0.7
207.10202	4.8
209.11760	20.4
210.12106	1.5
211.13377	1.7
217.15930	1.3
218.85164	0.7
225.11229	2.9
227.03201	5.4
245.04247	2.3
245.19063	10.9
246.19414	1.0
271.17026	1.5
289.18088	24.1
290.18405	2.0
307.19116	18.8
308.19577	2.2
314.17188	0.7
443.18362	2.1
501.32248	2.3
517.31555	1.1
535.23151	100.0
536.23505	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	535.2314
Annotation	Cowagarcinone E
Peak:m/z	Relative Intensity
53.32132	1.0
55.01739	1.1
57.03321	1.5
59.01249	86.0
60.01582	1.4
61.98701	64.1
63.94841	1.0
69.03340	1.4
70.05109	1.1
70.99915	1.8
71.01245	1.6
71.04877	1.4
75.88023	0.9
78.95775	55.0
81.03331	2.5
82.84607	1.1
82.95270	3.9
83.01245	4.7
83.04890	2.8
93.59633	1.2
95.91061	1.1
96.96836	4.4
97.02798	3.1
97.06475	6.2
106.04108	1.2
107.04919	1.5
109.06492	1.7
119.04940	1.3
119.51508	1.1
121.02918	1.3
121.06500	1.4
123.04403	3.7
123.08052	2.3
125.09621	10.0
137.09630	5.4
152.99492	76.8
153.99792	2.3
161.02281	1.6
161.09534	1.3
163.11201	6.8
171.00539	3.8
181.12312	1.7
185.11797	5.5
191.10741	1.6
191.14351	5.8
192.04475	1.2
207.10225	5.7
209.11777	20.7
210.12067	1.7
211.13341	1.6
225.11208	2.9
226.11830	1.6
227.03235	5.9
245.04228	1.8
245.19041	9.5
246.19151	2.1
271.17029	1.6
289.18088	26.3
290.18427	3.6
307.19125	19.5
308.19537	1.6
443.18323	2.8
448.21753	2.7
535.23126	100.0
535.31885	5.8
536.23486	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	535.2316
Annotation	Cowagarcinone E
Peak:m/z	Relative Intensity
55.01737	0.7
57.03312	1.1
59.01249	13.8
61.98701	4.4
71.01247	4.6
71.04897	5.4
71.51489	0.7
72.99174	0.9
73.02813	1.2
78.95777	44.8
80.02531	1.1
81.03322	2.6
83.04890	1.5
85.02827	1.3
87.00716	1.2
95.04896	2.0
96.96828	3.0
97.06472	1.0
98.03608	1.8
99.13897	0.8
101.02311	2.3
106.04135	1.1
107.04907	0.8
109.06476	15.2
109.91815	0.6
111.04420	6.5
111.08028	2.5
113.02322	1.5
117.03348	1.5
119.04908	1.1
123.08034	2.3
127.07583	3.7
133.02824	1.4
135.04376	1.5
137.02333	0.8
137.05966	1.1
137.09622	1.2
143.10666	1.7
143.72147	0.8
145.02853	6.5
145.06458	2.9
149.09595	1.7
150.97824	1.0
152.99492	59.4
153.99873	0.9
161.02373	3.4
163.03897	1.5
167.10661	2.6
167.14267	0.8
171.00519	4.6
171.10143	2.5
179.03400	2.2
179.05133	0.8
179.10658	1.6
191.14445	0.9
195.13829	4.4
199.13554	0.7
209.11774	1.4
227.03221	5.2
227.12871	0.7
235.13280	1.8
245.04248	2.9
245.19084	5.8
251.16522	1.8
271.17023	1.1
287.16467	1.8
289.18094	70.9
290.18420	8.8
297.38843	0.7
307.09567	0.9
307.19107	6.9
315.59982	0.7
316.62891	0.8
341.00708	0.7
443.18256	2.6
473.32251	2.3
491.30359	0.9
513.07684	0.9
535.23047	100.0
535.31061	7.6
536.23444	16.2
536.31464	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.0
57.03316	2.7
58.00474	3.2
59.01251	65.0
60.01582	0.8
60.99162	1.1
61.98705	8.5
69.03333	1.4
69.46323	4.0
71.01254	44.9
71.04894	8.8
72.99180	5.6
73.02448	0.9
73.02819	9.5
74.02355	0.9
75.00751	1.6
78.95785	0.9
81.03385	0.8
83.01261	7.0
85.02818	18.2
87.00744	4.0
87.04384	2.1
89.02318	35.8
89.05941	0.9
90.02622	0.6
93.03327	1.6
95.01264	5.1
97.02825	2.5
99.00747	4.8
99.04366	0.6
101.02323	30.9
102.98503	1.0
103.03889	2.5
108.02048	10.7
109.02864	4.8
109.06467	0.7
110.03224	0.6
111.00744	3.3
113.02323	17.4
114.02634	0.7
117.03358	0.9
119.03384	14.3
119.04838	3.2
120.03693	0.7
121.02848	1.9
123.00829	0.7
123.04430	1.0
124.01554	0.6
125.02327	2.2
129.01830	0.9
131.03392	1.3
132.02101	0.9
133.02844	2.2
133.74812	0.7
134.03615	1.9
135.04422	2.9
137.02338	2.0
139.03944	0.9
143.03418	2.2
145.02832	3.4
147.04437	0.7
149.02357	0.9
149.04448	1.4
151.03888	1.1
152.01056	7.4
152.99559	1.1
153.01851	8.2
159.02896	1.5
160.01588	3.2
161.02374	4.7
161.04445	4.6
163.03911	2.3
165.05443	1.5
169.08626	0.9
175.03923	4.2
177.01842	1.0
179.03392	3.8
179.05597	4.1
181.08687	0.7
193.05029	1.0
209.11751	1.8
225.05524	0.6
225.07581	3.7
267.17511	1.2
269.13873	5.5
285.18558	1.9
315.07266	0.8
330.91055	0.7
347.18665	4.0
373.22311	9.1
373.26608	1.1
374.22433	0.9
407.15350	0.7
415.23270	1.1
423.16592	2.9
423.66776	0.9
426.05655	0.7
455.27252	0.8
473.28894	7.0
474.29294	0.8
475.29364	1.2
535.14557	5.5
535.27966	100.0
536.15033	1.6
536.28204	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	535.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08454	0.2
53.91846	0.2
55.01750	1.4
57.03319	1.6
58.00471	5.1
59.01252	99.3
60.01583	1.2
61.98693	0.8
65.44730	0.3
71.01254	71.5
72.01593	1.3
72.99181	6.8
73.02826	3.1
75.00744	0.9
78.42528	0.3
79.49197	0.2
79.65145	0.2
81.03342	0.4
81.82600	0.3
83.01255	3.2
83.01715	0.3
84.02021	0.6
85.02824	13.7
87.00749	4.6
87.04380	0.4
89.02319	100.0
90.02632	1.9
95.01265	4.4
95.04932	0.3
97.02830	0.7
98.20605	0.6
99.00758	3.9
101.02325	45.2
102.01983	0.2
102.02675	1.1
111.00788	0.3
113.02334	33.0
114.02692	0.8
116.33735	0.3
119.03391	44.7
120.03763	1.1
123.08013	0.3
125.02370	1.3
127.03992	0.2
131.03401	5.6
143.03404	7.8
149.04460	5.3
159.02904	0.5
161.04462	8.5
162.04791	0.3
163.03886	0.3
179.05534	16.9
180.05904	0.6
191.05602	0.9
205.12373	0.4
223.13411	0.4
241.14532	0.5
253.42474	0.3
355.21048	1.2
373.22635	0.8
403.19647	1.8
517.23688	0.6
535.27985	31.8
536.28204	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.5
55.23595	0.4
57.03318	2.0
58.00468	6.0
59.01251	100.0
60.01572	1.4
61.98705	1.9
70.53752	1.5
71.01254	76.3
72.01594	1.5
72.99181	8.3
73.02810	3.8
75.00746	1.7
83.01260	3.7
85.02823	14.2
87.00764	4.9
89.02319	99.0
90.02646	2.0
95.01268	4.6
98.20591	0.5
99.00762	3.5
99.04381	0.5
101.02327	44.7
102.02659	1.8
103.70433	0.5
108.10478	0.5
111.00700	0.5
113.02332	31.3
114.02718	0.8
115.03922	0.6
119.03394	45.3
120.03741	0.8
125.02297	1.2
127.44148	0.5
129.01826	0.6
131.03416	4.9
143.03409	6.8
143.04448	0.7
143.53059	0.5
149.04459	5.0
151.03940	0.6
161.02435	0.6
161.04483	7.4
168.21234	0.4
177.05626	0.8
177.25970	0.4
179.05547	16.6
189.76633	0.4
191.05634	0.9
197.75117	0.5
284.03339	0.9
285.04199	0.5
294.85312	0.5
299.05573	0.6
300.02963	0.5
351.05670	0.7
355.21414	1.3
403.19888	0.9
455.33026	0.5
535.27832	35.7
536.28070	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	535.3275
Annotation	2-Deoxy-5,20,26-trihydroxyecdysone 20,22-acetonide
Peak:m/z	Relative Intensity
50.93338	0.7
56.38971	0.6
57.03313	1.0
59.01257	5.0
61.98709	3.0
62.90840	0.6
71.01262	2.2
73.02812	1.4
74.98947	0.7
79.78129	0.6
85.02826	1.8
87.04382	5.1
89.02320	1.3
101.02322	1.3
113.02323	1.0
119.04842	0.7
121.06513	0.8
123.04362	1.1
145.02838	1.6
165.05467	1.7
250.92685	0.6
278.79333	0.6
339.23355	1.0
401.24991	0.9
405.26434	30.1
406.26834	4.3
415.28235	0.7
417.29825	0.7
419.25394	0.9
423.29288	0.7
435.29697	0.9
437.30530	2.5
438.30899	1.1
439.28638	1.2
441.29904	0.8
445.29489	4.8
455.31567	2.2
459.27673	0.9
461.32724	1.5
469.29410	1.7
487.23746	0.7
487.30695	1.2
491.34122	0.7
505.31693	52.5
506.31973	8.8
535.32758	100.0
536.33124	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	535.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01588	1.2
61.98709	1.0
64.87131	0.2
70.03543	0.9
77.16453	0.3
78.95768	2.9
85.02848	0.3
92.19146	0.2
97.06471	0.3
106.31030	0.2
118.36468	0.2
133.02856	0.3
135.04436	0.4
135.17094	0.2
152.99498	3.2
153.99854	0.3
161.02376	1.3
168.78773	0.3
171.00513	0.3
179.03511	0.6
209.11830	0.3
220.50520	0.3
307.19241	0.5
378.61127	0.2
397.23859	0.3
407.65817	0.5
408.15662	0.3
409.27206	0.3
416.15860	0.5
416.66284	0.8
417.16272	0.4
423.28973	0.4
439.32233	3.9
440.32813	0.7
447.11966	0.3
449.23019	0.4
475.34323	0.7
501.32144	3.0
502.32346	0.5
534.71057	0.4
535.23090	1.1
535.32837	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69960	0.2
57.03320	0.7
59.01251	100.0
60.01590	1.3
61.98703	2.7
63.35996	0.3
69.03322	0.4
70.80887	0.4
71.01249	1.1
71.04895	0.6
78.95773	14.9
80.02547	0.3
81.03328	0.7
81.92694	0.3
83.01273	1.6
83.04881	0.6
85.02832	0.5
89.02319	0.4
95.01265	0.2
95.04915	0.7
96.96857	1.4
97.02840	0.7
97.06481	1.0
100.02484	0.2
101.02316	0.5
106.04166	0.3
109.02837	0.3
109.06483	0.4
113.02345	0.5
119.04915	0.2
121.06508	0.3
122.13787	0.2
123.04427	0.9
123.08044	0.4
125.09612	2.8
133.02785	0.3
135.04430	0.5
135.08055	0.4
137.05957	0.2
137.09618	1.0
149.05983	0.3
150.97922	0.3
152.99490	20.8
153.99812	0.7
161.02356	0.7
163.11214	2.0
165.08957	0.3
165.12779	0.4
167.10663	0.4
171.00543	1.2
177.12788	0.4
179.10669	0.3
185.11797	1.4
191.10681	0.5
191.14334	1.6
207.10211	1.3
209.11771	6.4
210.12042	0.6
211.13321	0.7
217.15820	0.4
225.11234	0.9
227.03203	1.7
245.04294	0.6
245.19057	3.4
246.19577	0.4
271.16940	0.4
289.18091	7.4
290.18396	0.9
307.19125	5.0
308.19638	0.4
328.51712	0.3
346.01266	0.2
358.12219	0.3
443.18268	0.6
448.21667	0.8
461.19315	0.3
473.32278	0.4
501.31763	0.4
517.31995	0.5
535.23138	29.9
535.32422	3.8
536.23407	5.2
536.31653	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12542	0.4
59.01251	100.0
60.01585	1.4
61.98706	1.4
78.95784	2.3
80.86148	0.4
96.95883	0.7
97.06467	0.7
152.99512	1.8
189.12082	0.5
209.91006	0.4
209.92996	0.4
219.29395	0.4
307.22858	1.0
439.32150	1.2
457.33423	0.7
475.33896	8.3
476.35049	1.4
519.33063	2.9
535.26349	0.8
535.37555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29850	0.5
55.01750	1.0
57.03311	0.6
58.00476	0.6
59.01255	14.5
60.01580	0.8
61.98691	1.2
69.30862	0.9
69.31271	3.5
71.01256	13.8
72.99189	2.4
73.02821	4.4
75.00763	1.0
78.95785	0.5
83.01255	2.1
85.02826	14.7
87.00748	1.5
89.02321	10.0
95.01274	1.0
99.00758	6.1
101.01700	0.9
101.02328	12.7
108.88438	0.4
111.00755	0.7
112.03935	49.4
113.02333	7.5
113.04265	1.6
114.22305	0.5
119.03362	3.3
121.02917	0.6
123.04343	0.6
125.02311	0.8
131.03383	0.7
135.04375	0.8
137.02351	0.8
139.03897	0.5
143.03445	0.6
149.04437	1.2
151.03909	0.6
159.02914	1.4
161.02426	0.7
161.04453	4.2
163.04140	0.5
175.03975	0.5
179.05542	0.6
184.09776	0.5
185.11736	0.7
191.05505	1.4
209.04578	0.7
211.07533	0.6
212.07938	0.9
291.14551	2.1
331.17633	1.6
347.17227	0.9
359.17230	0.8
360.20529	0.7
373.13013	0.7
374.13330	1.6
404.19217	2.4
405.20187	0.6
423.18732	7.5
463.21887	1.3
492.23932	1.0
536.23499	100.0
537.23810	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	537.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99696	0.6
55.01764	0.7
57.03314	0.8
59.01252	8.6
59.78664	0.5
61.98705	1.8
69.03325	18.8
70.03651	0.5
71.01250	12.8
71.01617	0.9
72.99184	1.9
73.02826	5.1
74.22797	0.4
75.00748	2.5
78.37824	0.5
78.95785	0.8
79.01749	2.3
81.03339	1.0
83.01273	1.7
85.02827	6.3
87.00761	1.4
87.17771	0.6
89.02312	5.2
89.52356	0.5
93.03327	0.9
95.01260	4.1
97.02831	10.1
99.00755	10.2
101.02325	6.1
107.01267	12.7
107.01962	0.9
107.04892	3.1
108.02055	41.0
109.02873	6.8
111.00798	0.6
113.02330	6.0
117.03407	0.5
119.04929	4.2
121.02846	2.7
123.00764	5.4
123.04400	0.6
125.02334	22.8
125.87891	0.5
126.02637	0.8
131.03386	1.0
135.00778	30.2
135.04420	0.7
136.01100	1.3
137.02335	3.7
143.03406	1.1
145.02863	1.3
151.00281	12.8
152.01059	100.0
152.99478	1.1
153.01724	5.3
161.02365	0.7
161.04466	3.5
163.03915	5.8
177.01878	1.6
179.03445	0.7
191.05574	1.8
197.06027	2.4
198.06499	0.6
207.02866	0.8
213.03674	0.6
213.13109	0.5
213.14874	2.5
219.02875	0.6
242.05804	9.8
243.06599	55.9
244.06900	4.5
287.22318	2.6
293.08740	0.6
315.07211	4.7
387.10696	0.8
405.11911	11.0
405.24878	0.6
406.12170	1.2
429.10355	79.8
430.10748	10.3
537.16040	20.1
537.23419	0.9
537.30151	3.0
538.15662	2.8
547.77094	0.5
550.42004	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1607
Annotation	Picroside III
Peak:m/z	Relative Intensity
55.01744	1.1
57.03321	2.0
59.01249	11.5
61.75391	1.0
61.98713	1.1
62.02859	0.9
68.99670	1.1
69.03327	1.7
71.01249	9.4
71.29239	1.7
72.99181	28.1
75.00726	1.6
78.35439	1.0
83.01274	2.0
83.02405	1.1
84.01924	1.1
85.02817	7.0
87.00770	1.5
89.02307	4.2
93.03314	2.1
95.04912	1.7
97.02827	4.7
99.00732	3.8
101.02321	3.4
105.09126	0.9
107.04897	2.2
109.02791	1.8
113.02319	4.3
119.03380	1.5
121.02832	1.8
123.04398	3.3
125.02322	4.3
127.03880	1.7
132.02068	17.6
133.02835	3.7
134.03639	24.0
135.04478	6.7
135.05292	1.1
137.02332	3.3
139.03975	1.5
141.01888	1.2
145.02852	1.0
147.04411	2.1
149.04428	1.4
149.06004	5.6
150.80295	1.0
151.03947	5.7
153.05412	1.5
160.01575	81.0
161.02077	6.5
161.04478	2.0
163.03935	4.4
169.04974	1.9
175.03931	100.0
176.04326	6.7
177.05389	1.5
178.02525	1.1
179.03439	1.3
179.05586	1.4
181.05042	5.0
191.07059	4.3
193.04996	36.3
194.05411	2.6
194.17986	1.0
199.06097	7.3
207.06438	1.1
217.05049	1.1
235.06108	11.4
255.29512	1.0
265.07199	2.6
295.08224	8.2
296.08667	1.1
337.09280	9.2
345.13657	1.4
361.11575	1.4
495.24527	1.3
537.16125	70.9
537.23151	2.8
538.16461	11.9
538.24048	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1981
Annotation	Tanegoside
Peak:m/z	Relative Intensity
57.03341	1.9
59.01253	28.0
61.98685	4.9
69.46543	14.2
71.01250	23.7
72.99173	3.3
73.02816	4.6
75.00755	2.8
85.02813	6.6
87.00771	5.2
88.98672	2.6
89.02321	23.7
91.00233	6.8
95.01302	2.9
95.38593	1.8
96.96899	1.9
99.00751	13.3
101.02324	14.9
102.38823	2.1
109.02831	13.9
111.00764	2.6
113.02326	13.0
115.42244	2.4
119.03366	6.2
121.02814	6.2
122.03587	4.9
123.04436	2.7
125.02340	2.5
131.03400	3.8
134.03586	3.1
136.01535	7.0
137.02324	5.3
145.02876	3.0
146.03648	22.3
147.04350	2.9
149.04434	8.4
151.03906	7.0
154.02666	2.8
161.02344	2.2
161.04660	3.5
161.05969	9.9
164.04758	14.2
164.05904	2.5
165.05310	3.5
175.03952	9.7
176.04683	23.2
179.05537	3.6
179.07060	49.8
180.04240	10.5
180.07410	3.7
189.05530	4.7
190.06264	4.6
191.05527	3.2
191.07048	33.4
192.07323	2.2
195.06570	29.7
209.08067	2.1
233.06491	2.5
251.07056	4.5
263.06967	2.0
267.06564	5.5
278.05865	2.1
279.06445	10.1
282.08972	4.0
293.08466	2.4
294.08963	6.3
297.08121	3.1
297.11310	12.0
309.11395	2.1
312.10098	17.2
327.12381	100.0
328.12823	9.5
339.12280	2.6
345.13452	18.7
346.13745	3.2
357.13525	18.2
358.13763	3.3
375.14465	51.6
376.14920	6.7
378.38950	2.1
396.78415	2.2
537.19025	7.2
537.25317	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	537.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.3
57.03318	1.8
58.00471	4.9
59.01252	98.1
71.01253	66.5
71.01545	1.2
71.01658	1.3
71.31526	1.2
72.01586	1.6
72.99177	4.9
73.02811	3.2
75.00780	0.9
78.95770	0.8
83.01257	2.5
85.02819	10.5
87.00748	3.8
89.02317	100.0
90.02652	2.6
90.86575	0.9
93.03335	0.8
95.01256	3.5
99.00738	1.3
100.37131	0.9
101.02325	29.4
108.02074	2.1
109.02843	2.0
113.02328	25.8
114.02645	1.1
119.03393	35.8
119.04758	1.4
121.02876	5.9
122.03636	4.4
123.04402	1.6
131.03421	4.5
133.02812	1.7
135.04440	1.1
136.01553	2.1
137.02324	2.1
143.03421	6.3
145.02873	1.7
146.03632	3.4
149.02367	5.0
149.04434	3.4
150.03127	16.2
151.03888	3.4
161.02353	2.6
161.04466	6.8
161.05910	1.8
162.03145	4.3
163.03746	1.1
164.04649	3.4
165.05498	18.7
166.05821	1.4
173.06105	0.9
176.04681	3.8
177.05432	2.8
178.60370	1.0
179.05557	28.3
179.07047	3.1
180.04214	13.6
180.05711	1.4
181.04840	1.0
190.90387	1.0
191.07111	8.6
195.06580	29.5
196.06889	1.8
202.06255	1.4
203.06880	1.2
235.36980	0.9
265.08435	0.8
278.63800	0.8
280.38470	0.9
291.06454	1.0
309.07874	1.6
312.09723	1.1
314.30814	0.8
323.09402	1.2
324.09973	3.6
327.12357	3.1
339.12375	20.7
340.12723	2.8
345.13364	4.8
375.14539	1.4
506.84772	1.0
526.60760	0.9
537.26471	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41380	1.2
57.03320	1.5
58.00478	1.4
59.01249	48.1
61.98706	1.7
69.29769	10.1
71.01253	42.3
72.01601	1.2
72.99186	5.8
73.02823	19.0
75.00744	2.4
77.25325	1.1
83.01274	2.0
85.02823	11.9
87.00771	2.2
89.02316	80.2
90.02657	2.3
91.40929	1.1
95.01276	4.6
99.00755	60.3
101.02328	14.0
113.02329	26.5
114.02629	1.8
119.03375	5.1
119.04906	1.2
123.04399	1.5
131.03381	17.0
137.02351	1.9
143.03413	1.5
149.04462	100.0
150.04739	2.1
151.03922	3.4
152.00948	1.5
160.01628	2.2
161.02362	1.7
161.04472	16.3
163.03899	1.5
175.03954	2.1
179.03455	1.6
183.28128	1.3
187.00259	1.1
188.04648	1.8
191.05534	34.1
204.07756	1.5
221.08171	2.3
233.06619	43.5
234.06912	1.7
293.08853	23.3
294.09030	1.8
297.79333	1.3
311.09903	7.8
312.10028	2.3
354.52136	1.2
357.13406	5.7
395.70654	1.3
495.24756	1.5
537.20496	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	537.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83317	0.6
57.03317	0.8
59.01253	10.1
60.99178	16.5
61.98704	3.4
64.81971	0.7
65.83236	0.6
71.01259	4.5
71.51437	0.9
73.02809	1.3
73.14770	0.6
75.00742	1.9
78.95773	3.4
83.01245	0.6
85.02827	2.4
87.00755	2.5
88.00267	2.0
88.98681	100.0
89.02319	15.9
89.99024	1.3
90.56240	0.6
93.03368	1.4
95.01258	1.1
99.00197	0.7
99.00756	4.1
101.02332	2.7
113.02332	3.1
117.03346	0.8
119.04906	2.0
121.02808	1.1
125.02346	0.6
135.04396	1.5
137.02356	1.9
142.10277	0.6
145.02846	3.0
147.04404	0.9
149.04463	1.5
151.00304	0.7
152.01105	0.8
152.99519	3.4
161.02354	1.0
161.04480	1.1
163.03900	2.1
165.05545	1.0
167.10658	0.9
169.35597	0.7
171.10170	1.4
175.07579	0.6
179.03438	1.7
183.10223	1.2
191.05501	1.3
200.01949	0.8
221.15366	0.7
243.06589	1.9
291.19586	0.7
309.20663	1.8
341.23376	0.8
447.22220	2.7
477.30768	0.8
537.24988	5.4
537.32898	3.3
538.24957	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.247
Annotation	Kenusanone C
Peak:m/z	Relative Intensity
52.05797	0.5
57.03320	2.3
57.39194	0.4
59.01251	3.5
61.98702	1.3
70.42630	0.7
70.42969	0.9
70.43314	0.4
71.01251	0.8
71.04890	0.9
75.57349	0.4
78.95779	44.6
80.02556	0.7
81.03327	2.1
82.56704	0.5
83.01256	4.4
83.04908	2.5
88.26986	0.5
90.87691	0.4
93.03334	0.9
95.04910	1.5
96.96841	3.9
97.02842	1.0
97.06471	2.4
98.03603	0.7
100.64159	0.5
109.06481	1.0
111.08028	1.5
113.05970	0.5
123.04410	2.0
123.08073	1.8
125.05965	0.8
125.09613	5.9
127.11122	0.6
129.09076	0.5
134.97285	0.4
135.08020	0.7
137.09634	0.7
139.11172	4.2
141.09068	0.6
143.80066	0.5
149.09605	0.9
150.97935	1.0
151.11238	3.0
152.99498	63.4
153.12839	0.5
153.99860	1.1
161.09634	0.5
163.11208	5.1
165.09201	0.6
165.12776	8.5
166.13066	0.8
167.10669	2.5
167.14363	0.5
168.11496	0.6
171.00569	4.1
171.10318	0.7
179.10747	0.7
179.14401	0.8
181.12299	4.0
183.13789	1.0
191.10777	2.7
193.15958	2.6
197.11821	0.5
207.10226	0.8
209.11781	31.5
210.12093	2.0
211.13280	0.8
219.17400	0.6
223.13327	2.3
225.11206	0.6
227.03194	6.5
245.04352	2.5
247.20692	5.9
248.21098	0.5
252.47424	0.5
261.75632	0.5
263.20074	0.9
265.21710	1.4
265.93692	0.4
273.18631	1.3
281.21216	1.3
291.19672	32.0
292.19992	3.3
309.20709	24.6
310.21063	2.3
432.78146	0.5
445.20038	2.4
451.17142	2.0
466.89468	0.5
537.24695	100.0
538.25049	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	537.2468
Annotation	Kenusanone C
Peak:m/z	Relative Intensity
51.64809	0.9
52.31618	1.0
57.03289	0.9
59.01250	27.1
60.01582	1.6
61.98694	4.4
71.01244	3.5
71.06082	2.3
78.95772	53.2
80.02547	1.0
80.91544	3.9
81.03311	1.8
83.01260	5.6
83.04858	2.3
85.02774	1.2
89.02347	1.5
95.04903	2.8
96.95833	1.6
96.96830	4.0
97.02821	1.4
97.06455	2.1
98.03555	1.1
101.02292	1.0
109.06435	1.1
113.02364	1.5
123.04387	2.9
123.08071	2.5
125.05993	1.4
125.09618	5.3
135.08073	1.1
139.11133	3.0
141.09132	1.0
145.22908	1.0
151.11122	1.0
152.99487	69.6
153.99818	2.6
155.61815	1.2
160.17261	0.9
163.11191	4.7
165.12762	8.3
167.10663	3.8
171.00584	5.5
179.14439	1.0
181.12213	2.7
191.10690	3.0
193.15872	2.7
207.10184	1.6
209.11772	22.2
210.12079	1.5
211.13333	1.6
227.03119	4.6
243.05188	0.9
245.04356	2.6
247.20569	7.4
248.21039	1.4
265.21603	1.4
267.47134	1.1
273.18756	1.6
275.20117	1.4
291.19641	34.8
292.20026	2.8
293.21124	1.9
309.20703	24.1
310.21002	1.8
315.19363	5.1
330.63297	1.1
357.20364	6.9
445.19730	1.8
449.23071	1.5
450.23257	3.6
455.26337	6.8
477.24258	3.2
501.32132	3.7
537.24689	100.0
538.24884	14.4
547.10889	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2471
Annotation	Kenusanone C
Peak:m/z	Relative Intensity
57.03329	0.7
58.00471	0.6
59.01249	8.9
61.98689	2.1
69.03323	0.9
70.53600	1.1
71.01259	1.3
73.02816	0.7
78.95776	34.9
80.11441	0.6
96.96859	3.1
97.02833	1.0
97.06477	0.7
98.20056	0.8
109.06473	0.7
111.08047	9.7
123.16875	0.6
127.07542	1.2
129.74803	0.5
132.04083	0.6
135.04393	0.8
137.09608	0.8
145.02815	1.5
149.50014	0.6
150.97925	0.9
152.99489	50.2
153.12709	1.2
153.99837	1.5
158.67079	0.6
169.12270	4.5
171.00554	4.0
171.10129	1.0
177.01883	4.1
178.02206	1.7
179.02330	1.0
179.10687	0.7
181.12253	1.2
183.13875	1.1
193.12256	0.6
197.11757	39.5
198.12114	2.4
199.13293	1.3
211.13358	7.5
227.03114	4.3
245.04250	2.0
263.20087	1.8
273.18530	1.0
291.19702	6.6
309.20712	29.6
310.20874	3.4
356.93860	0.5
445.19974	2.5
503.32788	1.5
509.14090	0.6
519.32477	0.7
537.24677	100.0
538.24969	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	537.2472
Annotation	Kenusanone C
Peak:m/z	Relative Intensity
53.41018	0.5
57.03317	0.8
58.00465	0.7
59.01253	23.9
69.03291	0.9
71.28925	1.0
73.02827	0.6
78.95778	37.6
79.65707	0.5
96.96854	2.5
97.06451	0.8
97.16399	0.5
98.03893	0.5
111.07294	0.9
111.08041	12.7
127.07520	0.7
150.97949	0.8
151.11212	0.9
152.99493	51.8
153.12791	1.1
153.99883	0.8
169.12263	5.9
171.00565	4.9
181.12231	1.8
183.13814	1.5
193.12263	0.7
197.11766	52.9
198.12086	3.5
199.13342	2.2
211.13368	5.5
227.03171	4.5
227.12845	0.8
245.04243	2.0
263.20148	2.4
265.18170	1.0
273.18570	0.7
291.19626	6.5
309.20709	25.3
310.21039	3.7
417.60822	0.5
445.20041	2.0
463.21323	0.7
537.24677	100.0
538.25067	18.5
538.33423	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2472
Annotation	Kenusanone C
Peak:m/z	Relative Intensity
54.65129	0.3
59.01244	2.7
69.03336	1.3
73.02808	0.5
74.28259	0.4
74.47046	0.3
78.95776	38.4
81.01362	0.3
83.04882	0.7
88.01548	0.4
88.70108	0.3
93.06986	0.5
96.96853	3.6
97.02839	0.8
97.06516	0.4
105.42633	0.4
109.06485	0.5
111.08047	11.7
123.08013	0.4
125.09596	0.8
127.07570	0.6
135.04396	1.5
150.97949	1.0
151.11131	0.7
152.99487	55.6
153.09125	0.8
153.12750	1.2
153.99870	1.1
164.97075	0.4
165.12779	0.7
169.12263	6.8
170.12598	0.5
171.00552	3.9
171.10214	0.9
179.03412	0.8
179.10712	0.8
181.12257	1.4
183.13782	0.6
193.12233	0.5
197.11761	55.9
198.12086	3.2
199.13341	1.7
207.10159	0.4
209.11807	0.5
211.13307	4.9
227.03174	5.6
227.12840	1.3
245.04317	2.6
247.20631	0.6
263.20178	1.8
265.18082	0.8
273.18567	0.8
291.19666	8.8
292.19968	1.0
309.20700	24.3
310.20877	2.3
341.82880	0.4
445.19919	2.4
463.21100	0.6
537.24683	100.0
538.25085	15.3
538.33429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2471
Annotation	Kenusanone C
Peak:m/z	Relative Intensity
56.09981	0.5
57.03315	1.2
59.01244	2.7
61.98702	5.0
62.96293	0.4
65.28801	0.4
67.01759	1.8
69.03324	0.8
70.90662	0.9
70.90982	0.4
71.01260	0.7
75.00751	0.5
78.95776	37.1
83.04867	0.9
87.00753	0.4
93.06982	0.8
95.04858	0.5
96.96857	3.4
97.06458	0.9
107.04230	0.5
108.02058	0.9
111.08049	1.3
114.77036	0.4
121.10118	5.2
122.10370	0.4
123.04391	0.6
123.08096	0.6
125.09621	5.7
135.04408	0.5
137.02341	0.8
137.09599	1.0
141.12723	1.0
142.33823	0.4
147.08055	0.5
150.97905	0.9
152.01076	1.6
152.99489	47.6
153.99890	0.5
159.31674	0.4
167.03421	2.8
167.10684	0.5
167.14264	1.6
168.78212	0.4
171.00581	3.7
171.10190	5.5
175.11043	0.6
185.11772	8.5
195.13840	1.5
197.11758	2.4
209.11739	0.7
211.13338	54.9
212.13672	3.5
223.13321	0.8
223.16974	1.0
227.03189	5.6
244.35974	0.5
245.04358	2.1
247.20731	0.9
251.16487	1.7
273.18588	0.5
291.19659	52.9
292.19965	6.7
306.39789	0.4
309.20728	6.3
310.20987	0.6
347.59976	0.4
439.17377	0.7
445.19949	1.9
519.23724	7.4
520.23932	1.1
537.24670	100.0
538.25037	15.8
538.33435	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.9
57.03292	1.6
58.00464	2.7
58.15992	0.6
59.01252	32.1
61.01032	0.8
61.98698	3.7
69.03326	1.5
69.33820	2.6
69.34248	3.0
71.01252	35.6
72.01583	0.6
72.99173	2.2
73.02817	9.2
75.00752	2.3
78.95789	1.0
83.01260	7.6
85.02828	9.3
87.00751	31.8
88.98687	0.7
89.02316	28.4
95.01265	2.6
97.02836	2.0
99.00774	2.0
99.57660	0.7
101.02324	19.1
113.02332	20.1
115.03854	0.9
119.03379	8.3
119.04873	1.0
125.02358	1.1
129.01790	1.5
131.03418	1.7
135.04370	0.8
137.02299	1.0
139.07503	0.9
141.01834	2.1
143.03400	5.4
144.23096	0.6
145.02861	2.0
149.04520	0.7
149.05884	0.6
152.99580	0.7
153.05438	0.8
159.02925	1.1
160.01584	1.0
161.02338	1.0
161.04449	7.3
163.03871	1.6
167.14333	2.2
179.05540	11.3
179.14308	1.0
183.13814	11.6
184.14053	1.2
191.14331	3.1
195.13861	13.9
196.14182	1.6
197.15475	2.4
207.13858	1.0
207.56755	0.7
209.15413	4.0
213.14902	100.0
214.15211	5.2
223.16936	0.9
227.16460	8.6
237.14882	5.3
249.14928	2.2
255.16014	9.8
267.16028	2.2
278.51468	0.7
315.18079	1.0
323.09802	10.9
341.10855	45.7
342.11121	3.2
361.14935	2.3
465.99738	0.6
477.30399	1.8
537.25726	4.5
537.32880	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	537.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	3.0
57.03302	2.2
58.00434	1.1
59.01252	48.8
60.01554	0.9
61.98699	7.9
69.03309	0.9
70.98295	0.7
71.01254	41.7
71.52499	1.2
72.01579	1.3
72.99149	2.6
73.02821	10.9
75.00740	1.2
81.97208	0.7
83.01258	6.2
85.02358	1.0
85.02824	14.8
87.00758	4.2
89.02316	19.2
93.03326	0.8
95.01268	3.8
97.02833	1.4
99.00762	4.3
101.02325	29.6
108.02027	1.5
111.00729	2.4
113.02332	18.5
114.26262	0.8
117.97186	1.1
119.03397	8.2
124.14040	1.0
125.02274	1.4
131.03404	4.9
135.04356	1.5
137.02289	1.2
141.01784	1.3
143.03351	2.1
143.95401	0.8
145.02779	2.1
156.34082	0.8
159.02803	2.2
161.04445	9.8
170.61292	0.7
177.30707	0.8
179.05498	1.1
183.13710	0.9
195.13844	9.2
195.22289	0.9
202.03690	0.7
213.14882	6.0
221.06473	2.8
243.19524	1.4
273.40665	0.8
277.59186	0.8
286.24969	0.8
298.72531	0.8
375.20187	11.9
376.20572	1.9
405.19873	1.1
405.24982	14.6
406.25491	1.4
407.26709	2.2
477.30252	3.5
506.31485	2.1
507.32629	5.3
519.24158	1.0
536.32593	3.0
537.25183	100.0
538.25549	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	537.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10585	2.2
57.03313	4.6
58.00467	3.2
59.00960	4.8
59.01248	88.2
60.01580	2.7
60.41299	2.2
61.98701	27.8
63.96105	4.6
71.01252	57.0
71.51214	2.5
72.99167	10.0
73.02813	15.5
74.98959	3.4
75.00731	9.5
78.95769	5.6
83.01254	7.3
83.04861	2.5
85.02806	19.2
87.00743	21.5
89.02316	42.0
91.43803	2.4
93.03332	3.1
95.01265	6.9
97.02819	3.2
97.06487	3.1
99.00755	7.1
99.04356	2.8
101.02319	54.4
108.02078	3.8
109.02859	3.8
111.00755	3.3
113.02326	23.0
117.03329	3.3
119.03387	17.7
119.04879	6.8
121.02822	4.5
125.02324	10.2
127.71361	2.1
131.03391	3.1
133.02821	4.7
135.04385	5.3
135.98225	8.8
137.02318	8.2
143.03375	9.5
145.02864	11.4
147.04416	2.9
149.05943	3.0
151.00221	2.4
151.03918	2.8
153.01865	4.8
159.02888	3.4
161.02307	8.4
161.04469	14.5
161.05814	2.6
163.03911	8.2
167.03300	3.2
175.03923	4.2
177.01802	2.8
179.03429	4.3
179.05544	12.6
183.13803	7.5
194.84164	2.3
195.13823	15.6
211.09711	4.3
213.14882	52.2
214.15181	2.8
265.07047	2.9
322.52866	2.7
323.09833	15.5
341.10791	9.1
357.19202	5.3
375.20203	100.0
376.20609	12.5
477.30518	10.7
495.31509	3.2
537.25806	7.7
537.32526	10.3
538.17676	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54545	1.6
59.00999	1.7
59.01254	25.7
69.36499	9.8
71.00915	1.7
71.01256	21.7
75.00704	1.9
78.95770	2.1
85.02817	4.6
87.00755	6.2
89.01767	1.7
89.02313	31.9
101.02312	18.8
101.56136	1.7
102.02666	1.6
109.06400	2.3
113.02340	11.9
119.03378	7.0
131.03375	2.6
141.01889	1.4
143.03304	4.0
145.10086	1.4
149.04379	2.4
153.05444	3.5
161.04480	8.8
176.30301	1.6
179.05527	48.5
180.05914	1.8
197.04468	5.2
221.06615	17.2
226.09787	1.6
318.74677	1.8
323.09662	5.2
341.10834	7.8
377.08456	15.9
378.08984	2.1
383.11942	2.3
503.16171	100.0
504.16415	11.0
539.13782	56.7
540.14459	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	539.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86996	0.4
57.03320	0.7
59.01255	9.0
61.98706	5.4
66.15167	0.4
69.03342	1.1
71.01255	8.5
71.04913	0.4
71.51082	0.4
71.51457	0.4
72.99203	1.3
73.02806	2.1
75.00748	0.4
78.95778	17.2
83.01254	0.9
83.04926	0.5
85.02826	4.2
87.00773	0.7
89.02325	5.2
95.01289	1.5
96.96841	3.5
99.00812	1.1
101.02332	4.2
109.02846	1.5
113.02341	7.1
114.02723	0.5
117.03355	21.8
118.03696	1.1
119.03410	1.1
119.04896	4.2
121.02843	0.4
133.02875	0.8
134.03621	0.9
135.04430	1.3
137.02347	1.4
137.09560	0.4
145.02858	100.0
146.03200	5.2
152.01083	0.6
152.99492	26.0
153.99847	0.4
160.01544	1.3
161.02336	2.2
161.04466	1.3
161.56200	0.3
163.03929	5.0
167.03337	0.7
167.10692	1.2
170.64665	0.4
171.00586	1.0
175.03914	1.0
179.03404	0.7
179.05539	0.6
179.10728	0.7
179.14355	1.4
181.01308	0.5
182.57309	0.4
193.04807	0.4
195.13832	4.3
196.14143	0.4
205.12265	3.2
213.14850	0.5
223.00032	2.4
223.13353	16.5
224.13673	1.4
241.01170	7.1
259.02264	0.5
285.04208	0.4
315.04871	4.9
326.74435	0.4
360.71765	0.4
363.16675	3.6
371.20749	0.5
377.25748	0.6
393.17627	2.0
503.25021	8.4
504.25064	1.0
539.19519	39.2
539.30316	3.3
540.20465	6.3
540.29944	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78009	0.3
57.03309	0.9
58.00472	0.5
59.01250	9.3
61.98702	3.6
69.03320	0.9
71.01254	7.1
71.51402	0.4
72.99190	0.9
73.02817	1.4
75.00726	0.3
78.95779	15.9
83.01271	0.7
85.02826	4.5
87.00774	0.5
89.02313	4.8
93.03343	0.5
94.61933	0.2
95.01264	1.2
96.96839	3.0
99.00760	0.4
101.02323	3.6
103.03881	0.5
108.02042	0.5
109.02143	0.5
109.02843	5.7
110.03152	0.3
111.00771	0.4
113.02328	7.5
114.02681	0.3
117.03351	19.1
118.03698	0.9
119.03436	1.3
119.04907	4.9
121.02812	0.3
123.04384	0.3
125.02333	0.6
128.03506	0.3
132.01985	0.2
133.02820	1.1
135.04433	0.8
137.02348	1.6
139.03903	0.3
141.01837	0.3
141.81113	0.2
143.03413	0.6
145.02856	100.0
146.03203	5.3
149.02377	0.5
150.03137	0.3
152.01035	0.6
152.99490	22.9
153.99820	0.3
156.45045	0.3
160.01564	1.0
161.02382	1.8
161.04466	1.4
163.03926	6.0
163.05975	0.3
164.04437	0.3
167.03372	0.5
167.10736	1.5
171.00562	0.6
175.03946	1.1
179.03392	0.8
179.05566	0.7
179.10706	0.6
179.14333	1.2
181.01346	2.1
192.54794	0.3
193.04994	0.5
195.13843	3.0
197.04494	0.3
202.42404	0.2
205.04887	0.3
205.12315	2.7
209.11623	0.3
213.14934	0.5
215.16515	0.3
223.00084	2.6
223.13348	15.1
224.13766	1.3
241.01164	7.1
253.04416	0.3
285.03946	1.6
315.04883	4.8
363.16626	2.8
377.21484	0.4
393.17734	1.8
461.07330	0.4
469.13562	0.5
503.25259	0.9
539.20001	35.4
539.30414	4.2
540.20068	5.7
540.31152	0.6
559.14160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2627
Annotation	CHEBI:68152
Peak:m/z	Relative Intensity
53.88625	0.4
56.57928	0.4
57.03317	1.0
59.01236	1.6
63.46436	0.5
67.57050	0.5
67.57436	0.4
71.00409	1.1
71.53909	0.4
78.95777	31.4
83.04884	1.4
96.96838	2.4
99.08025	2.2
101.02393	0.6
111.08069	0.9
113.09628	2.4
124.20834	0.4
127.07518	0.5
129.09122	4.3
138.29504	0.6
139.11191	1.2
142.51703	0.5
150.97929	0.9
151.11230	1.1
152.99492	47.7
153.99843	1.0
155.10651	0.7
165.12732	0.5
169.12253	2.2
171.00583	4.0
171.10184	4.2
181.12286	3.4
183.13794	2.3
193.12244	2.6
197.11765	6.9
199.13298	3.4
209.11786	0.9
211.13354	14.2
211.71982	0.5
212.13541	0.9
227.03204	4.7
227.12717	0.5
228.03539	0.6
245.04297	2.0
249.22141	1.1
265.21564	0.9
275.20029	1.1
293.21237	11.8
294.21500	1.6
311.22272	47.6
312.22632	4.2
401.64474	0.6
447.21622	2.1
465.22610	0.8
539.26239	100.0
540.26648	16.8
540.33112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2627
Annotation	CHEBI:68152
Peak:m/z	Relative Intensity
51.84834	0.5
57.29353	0.5
59.01241	1.1
69.03342	0.8
70.53259	1.8
75.32229	0.5
78.95776	31.3
83.04928	0.6
96.96839	3.1
98.73779	0.5
99.08025	1.9
110.53522	0.5
113.09593	2.1
123.08062	0.8
125.73121	0.6
127.07548	0.7
129.09090	3.7
130.48105	0.6
139.11212	0.9
152.99493	46.5
153.99846	1.1
165.12769	0.6
167.10663	0.7
167.14287	0.8
169.12286	2.8
171.00587	2.8
171.10153	1.7
181.12253	3.7
183.13782	2.3
193.12207	1.9
195.67146	0.6
197.11765	10.3
199.13342	4.8
200.13579	0.5
211.13339	10.7
227.03294	4.6
245.04335	1.8
265.21741	0.9
275.20020	0.9
293.21228	9.4
294.21475	1.2
311.22287	43.5
312.22656	5.7
369.35260	0.6
443.43411	0.5
447.21277	2.1
465.22723	1.0
539.26263	100.0
540.26605	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	539.2626
Annotation	CHEBI:68152
Peak:m/z	Relative Intensity
57.03301	0.9
59.01253	3.8
61.98681	2.6
69.03320	0.7
70.99157	1.3
71.01234	0.6
71.04884	1.0
78.95779	37.3
80.73293	0.5
83.04890	1.5
93.32262	0.5
96.96838	2.7
97.06455	1.0
99.08040	2.9
111.07991	0.7
113.09615	3.0
119.04916	0.6
125.09623	1.1
126.10740	0.6
127.60017	0.6
129.09082	2.3
137.09694	0.7
139.11221	3.1
145.08759	0.6
150.97943	0.8
151.11076	0.7
152.99492	49.3
161.02319	1.1
161.89238	0.6
163.11266	0.8
165.12790	1.6
167.10712	0.9
167.14299	0.8
169.12259	1.3
171.00533	4.6
171.10172	9.9
172.10487	0.9
181.12280	2.5
183.13809	2.0
193.12306	4.2
197.11755	4.8
199.13371	1.6
209.11795	0.8
211.11554	0.5
211.13345	13.4
227.03259	5.8
245.04385	1.5
249.22359	1.2
270.01892	0.7
271.02356	1.8
271.05209	0.6
291.19443	0.6
293.21201	17.3
294.21579	2.1
299.01999	3.9
311.22278	46.9
312.22614	5.9
313.03333	0.8
314.04263	3.7
315.04553	1.2
329.06671	8.7
441.33609	2.2
447.21402	2.0
454.37250	0.6
456.76877	0.6
465.22559	0.6
473.32965	1.0
477.12125	1.1
485.32788	2.4
503.33835	9.6
504.34314	2.6
539.26233	100.0
540.26611	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	539.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	4.0
57.03329	2.6
58.00498	1.3
59.00963	0.7
59.01253	20.8
61.97338	0.3
61.98698	4.0
67.01784	0.4
68.99738	0.9
69.03371	0.8
71.01255	33.1
72.01642	0.6
72.99186	3.6
73.02821	17.0
75.00777	1.1
80.01675	0.3
80.96416	0.4
81.03358	0.5
83.01260	9.1
85.02824	20.2
86.00007	0.9
86.03185	0.7
87.00744	2.3
88.98705	0.4
89.02320	6.9
93.03373	0.5
95.01260	2.9
97.02901	1.3
98.20638	0.8
99.00763	9.1
100.01061	0.3
101.02324	30.1
102.02719	0.6
105.03410	0.3
108.02122	0.6
109.02889	0.4
111.00759	5.0
112.01630	0.6
113.02331	14.2
114.02699	0.4
117.03383	0.5
119.03448	0.8
119.04951	0.5
121.02923	0.5
121.06528	0.4
123.04423	3.9
125.02351	1.6
129.01907	1.4
131.03436	1.0
133.02866	0.3
134.03618	1.7
135.04460	0.5
137.02441	0.8
141.01877	0.7
143.03447	1.3
145.02885	0.5
149.02377	0.4
149.04544	0.7
149.06015	1.0
150.03178	1.0
153.05530	1.2
157.12343	0.5
159.02899	2.5
160.01657	0.5
161.02397	1.0
161.04463	8.0
163.03951	0.5
165.05544	1.0
167.07115	0.5
174.97397	0.3
175.03993	0.5
177.01932	0.4
178.02641	0.6
178.32782	0.3
179.03510	0.7
191.05714	0.6
193.04958	2.0
197.04611	0.5
205.12337	0.4
211.06079	7.0
212.06493	0.7
243.19696	0.9
245.21251	2.1
255.02872	0.3
260.33456	0.3
285.04126	0.9
285.42978	0.3
287.22455	0.3
301.02582	0.3
303.21716	0.3
373.11234	0.6
407.26508	63.3
408.26822	7.3
503.25101	0.6
539.21967	6.2
539.30676	100.0
540.21515	1.2
540.31018	17.6
543.46826	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	6.4
61.98702	7.7
70.43484	4.9
78.95778	4.3
84.07025	1.7
96.23428	1.7
96.95920	2.2
112.04708	1.7
146.93298	1.6
152.99492	3.7
162.18559	1.6
169.76917	1.8
215.78438	1.8
287.29739	2.2
326.00189	1.8
441.33777	4.1
457.33316	4.3
473.32678	2.4
485.32675	6.6
503.33762	100.0
504.34045	19.1
539.26740	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	540.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.9
59.01250	7.4
59.66054	0.6
61.98701	100.0
64.89249	0.6
69.89448	2.5
71.01256	7.5
72.72285	0.6
72.99179	0.8
73.02812	3.4
75.00754	2.4
78.95769	0.9
83.01295	1.2
85.02835	3.8
87.00763	2.1
89.02312	6.2
95.01292	1.2
95.86385	0.6
99.00756	15.6
101.02355	3.2
109.02830	1.3
113.02316	6.3
113.02949	0.6
114.86370	0.6
119.03365	1.2
129.01944	0.7
131.03392	1.7
133.02913	0.6
133.74741	0.5
135.04407	0.9
137.02301	0.8
138.70834	0.6
149.02361	0.8
149.04482	1.9
161.02388	1.0
161.04472	1.9
161.50571	0.6
165.09225	1.2
179.03328	0.8
191.05608	2.8
242.80711	0.7
282.30331	0.6
311.09250	0.7
331.21555	0.8
477.19769	34.2
478.20169	4.1
541.21967	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90993	0.5
59.01246	6.1
61.98705	5.6
71.01253	3.3
72.99173	0.7
73.02814	1.9
78.95770	1.5
83.01268	0.8
85.02827	2.1
89.02311	2.0
93.03358	0.5
96.95885	2.2
99.00769	0.8
101.02320	3.3
111.00805	0.6
113.02316	2.0
117.03362	6.6
119.03387	1.0
119.04918	1.8
123.04454	0.6
132.02046	1.2
133.02859	0.9
134.03665	1.3
135.04427	1.2
137.02332	1.4
145.02858	30.7
146.03217	0.7
147.04393	1.3
149.05977	0.9
152.99480	0.9
157.02950	0.5
158.03658	16.0
159.04414	4.8
160.01575	3.2
161.02357	3.2
161.04556	0.6
163.03951	1.6
165.01881	0.5
165.05527	1.0
171.04390	2.4
173.02441	0.7
175.03923	4.0
179.03409	1.5
185.06111	0.6
187.00548	0.5
193.04991	2.1
201.01970	1.0
201.05498	2.3
202.02654	100.0
203.03113	9.6
211.42902	0.5
213.05582	2.8
213.07394	0.6
227.03471	0.7
231.06516	1.3
235.06152	0.5
245.04500	0.9
265.07230	0.9
275.05560	3.0
295.08279	0.6
323.07782	1.6
337.09302	1.3
365.08713	4.3
497.14417	2.6
509.10770	2.0
541.13507	61.1
541.22168	5.1
542.13837	11.2
542.21924	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	59.0
61.82709	4.6
61.98705	16.0
63.24388	5.3
67.05409	5.5
70.89599	7.7
71.01244	26.5
73.02837	24.5
78.95778	12.5
83.01275	7.4
101.02344	19.1
101.22818	4.7
112.31639	4.6
113.02341	11.1
152.99525	6.2
209.11871	5.1
275.20166	12.1
293.21338	26.3
293.25253	4.6
313.23962	9.9
315.12411	4.9
397.93881	5.1
455.26691	14.5
497.27554	100.0
498.28064	18.5
524.95673	6.0
541.27863	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	541.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45024	0.6
55.01743	1.0
55.04455	0.6
55.34752	0.6
57.03330	0.9
58.00458	1.4
59.01250	10.9
60.77265	0.5
61.98698	6.8
65.03828	1.5
71.01250	9.3
71.09589	1.3
73.02809	5.2
75.00718	0.6
78.95767	1.2
83.01255	0.9
85.02818	3.1
87.00771	0.7
89.02300	3.0
89.36415	0.6
91.05401	0.9
91.33387	0.6
93.03331	1.2
93.06967	2.1
95.04908	0.8
96.95891	1.3
99.00764	1.0
101.02297	3.2
101.68259	0.7
103.05416	1.2
106.04102	5.0
107.04896	1.2
109.06461	1.3
110.55731	0.6
113.02332	2.5
117.03373	0.8
119.03410	1.7
119.04875	4.1
121.02867	1.1
121.06477	62.2
122.06802	2.3
123.04403	1.0
135.04375	2.6
137.02350	1.1
139.07538	2.4
145.02884	2.1
147.04390	1.3
149.04500	0.6
152.99431	1.1
158.85829	0.6
161.04420	1.1
165.05476	100.0
166.02528	0.7
166.05841	5.7
167.14333	1.7
169.35411	0.6
179.03412	0.9
179.14351	1.1
183.13846	2.1
191.14374	2.7
193.15895	0.7
195.13815	6.0
197.15375	2.3
202.02629	1.0
207.13843	0.9
209.15381	2.9
213.14890	24.2
214.15234	1.0
227.16457	12.3
237.14925	7.1
249.14873	1.5
255.15987	9.9
256.16519	0.8
267.15964	1.9
283.50549	0.7
319.71161	0.7
345.05936	1.1
377.21634	0.7
541.11285	0.6
541.26404	3.3
542.26868	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.3
57.03329	0.3
58.00462	1.1
59.01251	4.6
61.98706	0.7
65.03829	1.0
67.01769	0.6
69.03323	0.6
71.01252	5.1
71.39098	0.5
72.99191	0.3
73.02818	5.0
75.00734	0.3
76.02290	0.2
78.95771	0.4
80.02563	0.3
81.03317	0.3
83.04893	0.4
83.55154	0.2
85.02824	0.7
86.77477	0.2
89.02340	1.2
91.05413	0.8
93.03349	0.7
93.06973	2.2
94.72219	0.2
95.01253	0.3
95.04883	0.6
96.95892	7.8
97.02820	0.4
99.00790	0.4
101.02339	2.2
103.05452	1.2
106.04126	4.1
107.04929	0.6
108.02063	0.4
113.02333	1.2
119.03397	0.8
119.04917	4.3
121.02878	0.7
121.06483	57.9
122.06820	2.7
123.08018	0.3
125.02346	0.4
125.05977	0.8
135.04408	0.8
138.03070	0.5
139.07523	1.6
142.49423	0.2
147.04451	0.6
152.01074	0.3
163.14836	0.3
165.05487	100.0
166.05815	5.3
167.03358	0.4
167.07014	0.4
167.14339	1.5
179.14429	1.2
183.02930	0.4
183.13806	2.2
191.14339	2.2
193.15935	0.5
195.13847	5.5
197.15407	2.3
207.13811	1.3
209.15396	3.4
213.14911	21.0
214.15176	1.3
223.16992	0.7
227.16483	8.5
228.16827	0.8
237.14922	6.1
238.15334	0.5
246.87157	0.4
249.15019	1.2
255.16002	10.0
256.16269	1.0
267.16058	1.2
301.88522	0.2
315.18051	0.5
392.28702	0.3
514.46619	0.2
541.26740	5.7
542.27094	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15712	0.9
55.01736	0.8
58.00453	2.0
59.01251	27.9
61.98701	4.4
71.01251	20.5
71.23086	1.4
72.99162	1.8
73.02827	4.4
78.95776	1.5
83.01263	1.5
84.36338	0.8
85.02842	5.3
87.00735	3.0
89.02318	10.3
94.95697	0.7
95.01247	1.9
99.00778	0.9
101.02327	10.8
113.02340	5.8
119.03379	3.0
121.10101	1.9
121.30165	0.8
128.66869	0.7
141.98598	0.9
152.99471	1.4
165.09125	12.8
167.14212	0.8
179.14275	0.8
183.10188	2.2
183.13849	5.9
195.13840	5.4
209.15433	2.0
213.14917	28.8
214.15231	2.2
227.16492	4.4
237.14941	3.3
255.15926	3.4
313.23917	1.7
327.14453	7.1
345.15552	13.2
346.15817	1.3
485.32391	1.1
503.33652	7.8
504.34149	1.9
505.34598	1.8
541.30182	100.0
542.30573	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	542.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43223	0.3
59.01255	1.4
61.98700	0.3
69.48069	1.5
69.48472	0.9
71.01244	2.1
75.00783	0.3
78.95783	4.1
83.04887	0.5
85.02842	1.1
89.02339	0.6
92.16722	0.3
92.38062	0.4
96.96851	0.8
99.00777	0.5
101.02322	1.0
113.02320	1.0
117.03321	0.4
118.02883	1.4
123.01440	0.3
124.43171	0.4
125.65652	0.3
131.03661	1.5
132.02075	3.2
132.04456	3.4
133.02890	2.3
134.03645	3.2
135.04454	1.0
137.02347	0.5
149.06104	0.7
152.99510	3.5
159.03169	17.6
160.01778	15.3
160.03949	100.0
161.02342	6.0
161.04289	4.7
162.02789	0.4
163.11157	0.6
172.25624	0.3
174.05565	0.6
175.03929	16.9
176.04321	1.0
179.03421	1.0
179.05490	0.3
181.94698	0.3
193.04985	2.6
204.02924	3.6
209.11774	6.6
221.04445	0.5
223.00182	0.4
227.12852	0.5
240.80748	0.4
241.01183	1.4
247.40829	0.4
284.03198	0.6
299.05624	0.8
304.08102	0.4
315.04907	0.4
322.09464	2.1
323.07767	3.2
337.09302	11.9
338.09598	1.0
351.05722	0.5
498.14102	11.9
499.14566	1.7
542.12994	11.2
543.19067	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	542.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.7
55.94629	0.4
57.03336	0.5
59.01246	6.2
61.98701	100.0
69.36653	2.9
69.37059	0.9
71.01250	8.8
72.99186	0.9
73.02808	3.2
75.00752	2.0
79.95621	1.5
80.96387	2.8
83.01244	2.5
85.02815	3.5
87.00777	1.1
87.02612	0.5
89.02308	3.0
95.01273	0.8
96.95889	0.5
99.00751	2.8
101.02333	7.0
102.02682	0.6
107.38380	0.5
109.02848	0.7
110.30112	0.5
111.00763	0.7
113.02322	3.9
119.03400	0.5
123.04440	0.5
125.02341	1.1
127.00243	0.5
134.37630	0.6
145.02901	1.1
149.04459	1.0
151.03880	1.1
152.01057	0.7
159.02783	0.6
160.03928	1.9
161.02422	0.5
161.04475	2.5
163.03870	0.5
164.98569	0.8
172.66412	0.4
178.72519	0.5
225.00711	0.7
257.77261	0.5
303.18146	0.9
347.17194	1.4
479.21323	31.7
480.21454	3.6
505.26544	4.6
506.26883	6.1
507.26923	0.8
525.16492	1.7
542.23505	1.2
543.24487	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	543.2086
Annotation	Dracunculifoside Q
Peak:m/z	Relative Intensity
50.84785	0.2
51.76660	0.2
55.01769	0.6
57.03328	0.5
58.00492	0.4
59.01253	8.0
61.98701	1.8
64.33996	0.2
70.65822	0.2
71.01251	6.4
72.99194	0.7
73.02823	3.4
83.01263	5.1
83.01711	0.4
83.04913	0.4
85.02821	3.9
87.00772	0.5
89.02319	2.5
89.02741	0.2
93.03395	0.2
95.01286	0.6
97.02850	0.3
98.19852	0.7
99.00754	2.9
101.02328	10.2
103.03912	0.4
105.03328	0.2
108.02087	0.4
109.02866	0.3
111.00819	0.3
113.02338	2.8
115.03912	0.3
117.03361	1.2
119.03402	0.7
119.04940	0.3
120.28017	0.2
123.04408	0.5
125.02364	0.7
127.00253	2.6
131.03427	0.3
132.02072	1.5
133.02853	28.3
134.03259	1.3
135.04414	4.5
137.02315	0.4
143.03328	0.3
145.02840	0.4
149.04477	1.0
159.02795	0.2
161.02354	100.0
162.02679	6.4
167.03389	0.6
177.40201	0.3
179.03406	1.7
179.05522	0.3
180.03714	0.3
180.59126	0.2
189.80573	0.2
191.05650	0.6
235.11823	3.1
381.13223	0.3
381.17688	2.1
415.23486	0.3
543.20551	42.4
544.20898	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	543.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25583	0.4
58.70840	0.4
59.01252	100.0
59.64433	0.4
60.01588	1.0
88.98874	0.4
129.45847	0.4
141.45467	0.4
210.36615	0.5
267.53366	0.5
389.14523	0.4
404.85803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3329
Annotation	Luvungin A
Peak:m/z	Relative Intensity
59.01252	100.0
60.01578	1.1
61.98708	1.4
66.09322	0.4
71.50702	0.4
125.09617	0.9
138.97943	0.4
187.09840	0.7
268.22629	0.4
282.12137	0.4
299.18726	0.6
356.91452	0.4
408.89377	0.4
412.03400	0.4
412.22574	0.4
446.80118	0.4
469.18015	0.4
483.31146	6.4
484.31308	0.7
543.33612	4.6
544.33838	0.9
547.11475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53819	0.2
59.01250	100.0
60.01591	1.2
61.98706	0.5
69.23836	1.8
73.02833	0.3
139.03297	0.3
189.36189	0.3
293.21490	0.3
319.75784	0.3
359.64328	0.3
439.32300	0.7
483.31116	10.4
484.31616	1.8
543.34332	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.8
57.03322	0.5
58.00472	1.3
59.01253	15.4
61.98699	1.6
65.00204	0.6
66.68022	0.4
69.03339	1.2
69.34531	3.3
71.01259	10.8
72.88664	0.3
72.99186	1.1
73.02830	2.4
83.01266	1.8
83.04901	0.9
85.02832	2.8
85.06434	0.4
87.00743	1.8
89.02328	12.5
91.03922	0.5
93.03368	0.4
93.06978	0.4
94.86749	0.4
95.01278	0.9
97.02846	1.7
97.06454	0.4
99.00774	0.6
101.02333	12.2
107.01286	1.3
108.02049	0.9
109.06487	1.0
111.08051	18.1
112.08356	0.6
113.02351	5.2
119.03412	3.3
125.02372	1.1
125.09624	0.6
127.07561	0.7
131.03397	0.5
134.03651	1.1
135.04460	1.5
136.01578	1.0
137.09634	1.0
139.11273	0.5
143.03419	1.0
145.02913	0.6
151.00291	3.1
151.11223	0.8
153.09155	1.1
153.12830	2.1
161.04483	6.0
164.01091	2.0
165.12747	0.6
169.12268	7.5
170.12633	0.6
171.10211	0.9
174.03117	1.0
177.01880	0.4
179.05513	2.0
179.10715	0.8
181.12299	1.4
183.13837	1.0
188.04774	0.4
196.00078	1.5
197.11784	87.8
198.12106	6.2
199.04004	1.2
199.13351	5.8
201.01897	0.9
207.13797	0.5
209.11778	0.5
211.13358	9.5
212.13664	0.6
213.15016	0.7
215.03729	0.5
225.15067	0.6
227.12840	2.7
235.08359	0.8
235.17209	0.4
247.20836	0.5
249.15207	0.5
253.09291	49.0
254.09630	2.7
263.20209	4.6
264.20700	0.6
265.18143	3.4
266.18481	0.6
273.18613	1.5
285.04080	3.9
286.04846	6.3
287.05331	0.9
291.19693	28.2
292.20026	3.2
309.20737	100.0
310.04855	0.5
310.21130	9.9
383.11304	5.0
384.11530	0.9
433.20892	0.6
448.10104	2.7
502.99921	0.4
525.31140	0.4
532.12494	0.4
545.29437	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.9
57.03323	1.7
58.00462	1.5
59.01250	19.3
61.98706	4.2
65.00190	3.0
69.03322	1.1
69.32339	6.1
71.01260	12.1
72.99190	1.5
73.02821	2.4
78.95814	0.8
82.46146	0.7
83.01247	2.9
83.04926	1.0
85.02831	4.0
85.06436	0.7
87.00750	1.0
89.02314	10.5
95.01280	1.1
96.41329	0.8
97.02824	1.7
97.06482	1.7
99.00762	1.3
101.02322	12.4
106.72224	0.8
107.01289	3.7
108.02084	1.2
109.06490	1.5
111.08025	11.6
113.02310	5.5
117.03306	0.9
119.03405	2.5
125.02319	2.3
127.07555	0.9
133.02826	1.3
134.03627	6.3
135.04436	5.5
136.01549	2.4
137.02295	1.3
143.03371	1.6
145.02849	2.5
146.87675	0.9
151.00247	13.0
153.12698	1.1
160.01605	1.4
161.02357	1.0
161.04466	5.4
163.00217	1.3
163.03882	1.4
164.01028	3.7
165.01680	0.7
167.03453	1.7
169.12265	5.4
171.10199	2.5
174.03094	1.8
175.00217	1.0
175.03966	1.2
177.01852	2.5
179.03329	1.2
179.05557	1.2
181.12244	1.7
183.13875	1.6
187.03799	1.0
193.01352	0.9
195.13889	1.5
196.00027	6.2
197.11768	47.8
198.12108	3.1
199.03932	3.8
199.13298	4.8
200.04433	1.0
201.01881	1.6
209.11557	0.9
211.13348	18.3
212.13554	1.0
212.22974	0.8
213.14845	1.6
215.03494	1.0
221.15358	1.7
223.16965	2.4
224.84203	0.8
227.12782	1.2
233.15407	2.0
241.05046	3.3
241.40564	0.9
242.05762	1.1
251.16518	9.8
253.09256	49.0
254.09627	3.0
257.04523	1.5
263.20126	4.2
265.18082	1.1
273.18665	1.4
285.04031	11.4
286.04813	10.2
287.05441	2.3
291.19662	34.5
292.19943	3.5
309.20703	100.0
310.04828	1.1
310.21075	11.2
320.54428	0.8
365.10236	1.1
383.11328	12.0
384.11804	1.7
405.42883	0.9
448.10080	13.2
449.10434	2.2
545.29431	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.7
55.78419	0.5
57.03315	1.1
58.00467	0.7
59.01255	16.2
61.98698	2.3
69.03323	1.9
71.01259	9.1
73.02823	2.3
79.03034	0.5
80.80311	0.7
83.01265	1.2
83.04895	1.4
85.02823	2.7
86.88234	0.5
87.00761	0.9
87.16045	0.6
89.02325	10.6
95.01254	0.8
97.02817	5.1
97.06461	1.0
99.00755	0.6
101.02323	12.1
111.08044	12.4
113.02333	4.6
119.03381	2.5
125.09599	1.1
127.07575	0.7
131.05890	0.5
137.09605	1.9
143.03407	1.0
149.04523	0.5
151.11250	0.7
153.12810	1.2
156.47456	0.5
161.04445	5.2
163.11180	1.1
165.12764	4.0
169.12260	5.4
171.10170	3.3
179.05521	1.8
179.14328	0.8
181.12262	2.0
183.13811	1.1
193.12234	0.9
197.11766	59.4
198.12102	3.8
199.13383	3.2
209.11775	1.6
211.13361	6.9
212.13805	0.7
215.35802	0.5
225.14827	0.6
227.12825	4.2
247.20653	1.7
248.20871	0.5
253.09262	43.3
254.09569	2.0
263.20129	2.6
264.20563	0.5
265.17975	1.9
273.18597	1.9
291.19669	40.9
292.19983	4.2
309.20706	100.0
310.21048	12.2
322.24310	0.5
545.29370	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.8
57.22577	0.6
58.00451	1.8
59.00952	1.2
59.01250	20.8
61.98680	1.9
63.33833	0.7
69.03322	1.1
71.01252	10.9
71.08955	0.7
72.99164	1.3
73.02815	2.5
83.01281	1.4
85.02815	2.8
87.00729	1.7
87.45419	0.6
89.02317	11.4
93.07018	0.8
95.01254	1.0
97.02841	1.0
97.06482	0.7
97.08971	0.7
101.02323	11.6
109.06526	1.0
111.08039	19.2
113.02348	5.4
119.03371	2.9
125.09606	1.6
127.07559	1.7
151.11278	0.9
153.12724	1.2
161.04483	6.6
167.23589	0.7
169.08604	1.0
169.12242	6.4
179.05443	1.6
181.12257	1.8
183.13843	1.7
193.12178	0.8
197.11768	76.8
198.12123	6.4
199.13356	4.6
211.13367	9.5
213.14928	1.8
227.12759	2.0
247.20757	0.9
253.09261	48.6
254.09673	1.9
263.20169	5.4
265.18094	2.6
269.90796	0.7
273.18576	1.7
291.19672	28.5
292.20001	3.3
309.20706	100.0
310.21045	9.5
424.51089	0.8
545.29578	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	545.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19677	0.4
57.03310	0.5
59.01251	100.0
60.01590	0.9
61.98703	0.8
64.94715	0.3
67.17252	0.3
71.07550	0.6
73.02833	1.6
84.51940	0.3
118.59423	0.4
195.13939	0.5
197.11766	0.5
295.22824	1.5
296.23087	0.4
309.20691	0.6
357.25925	0.4
373.29016	0.6
391.29599	0.4
396.44882	0.4
439.32199	2.8
441.33615	0.6
463.24808	1.0
485.32727	48.3
486.33069	9.7
487.34219	1.0
545.30212	1.9
545.36945	0.7
546.30560	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.3
59.01252	100.0
60.01591	1.0
61.98707	1.4
70.30118	0.3
75.00761	0.8
78.95792	0.3
84.11555	0.3
93.56574	0.2
98.19720	0.4
156.98329	0.3
197.11742	0.3
309.20688	0.4
310.05609	0.3
393.04089	0.3
406.34454	0.3
485.32327	1.2
527.33868	1.5
528.34259	0.3
545.34924	21.0
546.35443	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	545.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01594	1.2
61.98716	1.7
61.98970	0.3
69.36946	0.3
71.06899	0.7
75.00760	0.6
78.95756	0.3
91.49379	0.3
96.95897	0.3
110.21301	0.2
134.08704	0.3
137.02364	0.4
139.60509	0.3
165.66766	0.3
221.68916	0.3
253.09322	0.5
260.10864	0.3
291.23224	0.3
309.24329	1.0
399.00476	0.3
485.32550	0.9
527.33990	1.6
545.34979	16.1
546.35431	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	545.3487
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
51.20359	0.4
52.21268	0.3
59.01250	100.0
60.01585	2.3
61.01669	0.7
61.98698	2.4
67.95929	0.3
69.38811	1.4
69.39217	0.8
71.01260	0.6
72.52576	0.3
73.99083	0.3
75.00755	2.5
75.88668	0.3
78.95786	0.5
113.60478	0.4
171.10240	0.7
179.03433	0.4
179.55707	0.4
197.11777	0.5
216.03879	0.3
223.13333	0.4
271.03546	0.3
291.19760	0.6
295.23022	0.6
309.20840	1.1
465.72006	0.4
469.33664	1.2
485.32544	2.3
487.34256	0.5
522.32166	0.4
527.34442	0.8
545.35254	12.7
546.28766	0.4
546.35718	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	545.3484
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
59.01250	100.0
60.01579	1.5
61.98705	2.6
63.08142	0.4
71.01277	0.8
71.51160	0.4
73.81068	0.4
75.00762	0.5
78.95762	0.4
99.00710	0.5
101.02321	0.7
104.13414	0.6
113.02339	0.7
113.50057	0.5
130.20892	0.5
142.21217	0.5
144.09686	0.5
145.02928	0.6
172.95676	0.5
178.66817	0.6
197.11859	1.2
253.09117	0.7
291.19720	0.9
309.20856	0.8
461.23355	0.8
485.32751	8.8
486.33356	1.6
527.34161	1.3
545.28003	0.9
545.35217	15.8
546.35602	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	547.167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.1
62.54929	0.3
64.00722	0.3
65.74214	0.3
70.06512	0.3
70.38091	0.8
71.01256	4.3
72.99181	0.6
73.02817	1.4
75.00728	0.4
77.03849	0.4
77.35153	0.4
79.01310	0.3
79.01823	0.3
83.01268	0.7
85.02819	3.3
87.00757	1.3
89.02312	1.1
95.01265	0.3
99.00768	1.0
101.02325	3.4
103.03870	0.6
111.00827	0.5
113.02319	3.0
117.03355	0.9
118.41863	0.4
123.04433	0.4
127.03957	0.3
131.03406	1.6
132.01994	0.9
133.02853	21.0
134.03241	0.7
135.04416	3.6
136.04756	0.4
137.02364	0.7
161.02350	100.0
162.02711	5.5
173.04507	1.0
179.03365	1.8
221.06665	1.9
243.64862	0.4
294.24783	0.3
305.06943	0.3
367.12518	3.3
529.15601	50.3
530.15961	8.1
547.16766	0.7
573.04004	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	1.8
59.01253	27.1
61.47086	0.9
61.98693	7.7
69.03349	1.1
69.36913	6.6
71.01252	24.1
72.99184	3.3
73.02819	6.9
75.00728	1.5
75.79393	0.8
77.58408	0.8
77.97812	0.8
78.95776	1.5
83.01266	3.0
85.02819	8.3
87.00744	4.1
88.98669	1.9
89.02317	11.3
93.03342	1.7
95.01266	1.4
96.95885	3.2
97.02827	1.3
99.00760	8.6
101.02322	15.1
105.03335	2.0
108.02034	1.5
109.02832	2.4
111.00742	0.9
113.02335	11.6
117.03357	2.9
119.03391	2.8
119.04882	4.4
121.02849	2.4
123.04386	2.7
125.02384	1.0
132.02058	20.8
133.02905	6.7
134.03629	30.7
135.04440	7.1
137.02319	3.8
139.03925	1.6
145.02859	6.8
147.04390	1.4
149.02396	1.2
149.04500	1.6
149.05972	5.7
150.03191	1.2
151.03888	5.6
152.01059	2.0
153.01804	1.4
160.01572	93.2
161.02361	33.3
161.04367	4.7
161.05856	1.3
162.02657	1.3
163.03946	1.9
165.01837	1.1
175.03923	100.0
176.04662	14.2
177.01877	6.4
178.02623	2.6
179.03424	42.6
189.05542	1.3
191.03485	1.0
191.05612	1.7
191.07065	6.8
193.04994	22.0
194.05775	38.8
195.06255	2.9
209.08138	41.8
217.04948	1.5
267.06845	0.9
277.14191	1.0
289.07556	0.9
293.08777	1.6
328.43286	1.0
337.09274	96.7
337.55862	1.0
338.09647	9.2
389.07199	1.0
401.67709	0.9
415.23343	3.5
487.25931	1.6
505.26602	2.8
506.27036	1.2
547.18134	20.3
547.27197	22.1
548.18726	5.7
548.27338	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	547.255
Annotation	[7'R(S),9R,10S]-7'-Deoxo-2'-deoxy-9,10-epoxy-9,10-dihydro-4'-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Peak:m/z	Relative Intensity
51.13526	0.5
57.03316	1.0
58.00484	0.6
59.01250	12.9
61.98700	6.7
69.03345	0.5
69.65423	0.5
70.60824	0.5
71.01257	8.3
72.99200	1.2
73.02825	1.3
73.40811	0.5
78.95786	0.7
83.01268	0.9
85.02813	3.9
87.00746	1.3
89.02312	4.1
99.00758	1.5
101.02325	4.6
105.03337	0.8
113.02354	2.7
114.62479	0.5
117.03330	4.5
118.03802	0.5
119.03400	1.2
119.04916	9.9
119.05751	0.9
121.02844	0.8
129.01802	0.6
132.02066	22.2
132.05714	0.7
133.02910	5.1
133.06490	2.7
134.03633	17.6
134.04665	1.0
135.04425	1.8
137.02347	2.4
137.09644	1.8
145.02858	15.7
147.04431	0.9
149.04655	0.4
149.05988	2.3
152.99501	0.5
153.05446	0.5
160.01570	100.0
161.01906	5.1
161.04604	1.1
161.05988	5.0
162.03061	0.8
163.03923	8.5
164.04294	0.8
165.05447	0.5
175.03925	100.0
176.04240	6.5
177.01855	2.1
177.05414	2.5
178.02594	0.7
179.03450	3.1
183.13730	0.7
187.03993	0.7
193.05000	11.7
205.05005	7.0
206.05374	1.0
221.04482	0.7
221.11813	1.3
235.06067	7.7
236.06502	0.7
252.13953	0.7
265.07135	12.9
266.07660	1.8
295.08246	1.4
299.06027	0.7
322.82745	0.5
325.09378	0.9
375.24365	0.8
383.13422	2.3
385.09061	0.7
403.47827	0.5
487.32391	0.9
517.24640	0.6
547.25433	99.1
548.25763	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	547.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52541	0.6
52.20806	0.6
55.01758	2.0
57.03320	2.4
58.00473	3.9
58.29937	0.6
59.01251	100.0
60.01593	1.3
61.98695	1.1
63.73071	0.6
69.55354	2.2
69.55762	2.2
71.01255	59.5
72.01604	1.5
72.99176	6.8
73.02830	3.4
75.00775	1.3
83.01260	4.2
85.02824	14.5
85.03297	1.3
87.00754	4.2
89.02319	66.2
90.02649	1.5
91.25284	0.7
93.23295	0.6
95.01256	4.1
96.95903	2.4
98.12569	0.7
99.00759	4.7
101.02325	38.7
102.02677	1.3
111.00755	1.4
113.02336	26.0
115.88951	0.8
117.03397	1.2
119.03395	33.5
119.04801	1.5
125.02345	1.6
129.01787	0.7
131.03378	4.4
133.02805	1.3
135.04506	1.3
137.02376	0.8
140.15878	0.7
143.03394	4.9
145.02853	4.5
149.04463	4.3
151.04059	0.8
161.02347	2.7
161.04436	7.4
163.03961	1.6
179.05554	13.2
191.05646	1.3
240.42323	0.7
247.35486	0.8
373.22061	0.7
385.22440	2.0
487.25809	1.6
489.17673	1.3
505.26584	3.2
547.27686	73.0
548.27960	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	547.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.5
57.03310	2.8
58.00465	4.4
59.01252	100.0
60.01591	1.1
61.98706	6.7
67.75508	0.8
71.01255	65.0
72.01598	1.5
72.06685	0.8
72.99171	7.4
73.02828	5.8
75.00757	1.0
82.89744	0.8
83.01268	5.9
85.02831	16.2
85.70508	0.8
87.00759	4.6
88.01021	0.8
89.02317	78.3
93.03330	1.4
95.01254	4.7
96.87289	0.7
96.95923	0.9
97.02789	0.8
99.00748	3.4
101.02326	46.0
109.84339	0.9
111.00782	1.5
113.02330	26.9
119.03388	36.9
120.03721	1.3
121.02877	1.2
131.03365	3.3
133.02844	2.1
135.04402	2.9
137.02332	2.4
139.03879	4.1
143.03421	5.5
145.02869	2.8
149.04434	4.2
161.02341	5.3
161.04422	5.6
163.03900	2.0
177.01840	1.0
179.03336	1.8
179.05539	14.7
182.49490	1.0
198.02876	0.8
202.02754	1.7
219.02919	1.0
265.07367	1.0
281.06442	1.0
385.22235	1.5
547.27673	96.3
548.19922	1.2
548.27893	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	547.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65852	0.6
55.01763	2.4
57.03322	2.7
58.00466	5.1
59.01251	100.0
60.01598	0.9
61.98696	4.8
67.01723	0.6
71.01255	67.2
71.51749	0.8
72.01617	1.3
72.99182	6.1
73.02814	5.7
75.00748	1.5
83.01262	5.5
85.02822	15.8
87.00750	4.6
89.02319	65.7
90.02692	1.3
93.03349	2.3
95.01255	4.3
97.02837	1.2
99.00740	4.0
101.02326	42.0
109.02857	0.7
111.00784	2.1
113.02335	22.3
114.02719	1.1
117.03356	4.8
119.03394	34.7
119.04919	2.8
121.02893	1.2
122.48197	0.6
123.04465	1.1
125.02360	1.6
131.03400	3.7
132.02109	0.9
133.02869	1.9
134.03658	0.8
135.04431	1.8
137.02371	2.8
143.03384	4.4
145.02864	18.4
146.03209	1.0
149.04472	3.5
151.00378	0.8
159.03021	0.8
160.01534	1.5
161.02409	4.5
161.04471	6.9
161.05840	1.0
163.03954	2.9
169.06310	0.7
175.03943	2.1
177.01897	0.7
179.03476	1.7
179.05557	10.8
189.05186	0.5
191.72954	0.5
205.04962	0.8
206.56134	0.6
235.96451	0.7
265.07288	0.7
281.09381	0.7
333.74387	0.7
373.22229	1.1
385.22372	2.6
415.23157	1.0
446.19806	0.7
505.26672	1.4
547.27655	82.6
548.28040	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	547.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01584	1.3
61.10793	0.2
69.25886	1.1
69.26290	0.4
71.85912	0.2
74.88169	0.2
116.90530	0.2
132.15097	0.2
146.34055	0.2
149.52730	0.2
189.45241	0.2
276.31958	0.2
426.47202	0.2
480.45328	0.2
547.36371	3.0
548.37152	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06965	1.1
58.42104	1.1
59.01253	100.0
60.55583	1.1
61.98698	4.5
66.35417	1.2
71.51546	1.4
78.95776	5.2
96.31464	1.1
173.49588	1.4
196.89403	1.8
197.89417	1.8
247.75650	1.2
348.84387	1.3
393.27756	1.5
409.31018	6.3
423.32721	4.8
425.34229	11.1
426.34821	2.5
469.33325	12.2
470.33591	2.2
487.34338	18.3
488.34595	3.1
501.47284	1.5
547.16370	2.5
547.36218	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	547.364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64827	0.4
59.01251	100.0
60.01580	0.8
61.98702	1.0
67.24870	0.4
71.06662	0.5
71.07008	0.8
79.95623	0.4
90.46032	0.4
91.47908	0.4
94.46665	0.4
111.15385	0.4
159.47923	0.4
201.34727	0.5
218.64651	0.4
227.92873	0.5
235.87915	0.4
254.73489	0.4
296.83514	0.4
487.34930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	38.0
60.01567	2.0
60.99173	1.2
61.98710	10.7
65.70135	1.0
66.05567	1.0
71.04884	2.1
72.99193	10.0
78.95779	1.6
117.04102	1.1
119.04940	1.5
145.02831	2.1
163.03964	1.4
181.34152	1.1
190.19753	1.1
251.20168	15.5
252.20462	1.5
253.09309	2.4
365.25223	1.4
387.28918	2.6
397.30875	1.6
405.31668	5.8
413.34396	2.1
423.32693	3.0
425.34436	7.0
427.32196	6.4
439.32175	3.4
441.33630	3.5
443.35800	1.5
455.34589	1.5
469.08743	1.3
487.34299	100.0
488.34671	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	548.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65245	0.9
55.44836	0.8
59.01253	52.0
61.98705	100.0
71.01247	6.5
73.02827	1.5
75.34483	0.8
78.95795	7.9
85.02834	1.6
89.02312	2.4
91.16724	1.0
93.03363	1.0
96.95856	1.0
96.96882	1.1
98.19765	1.7
99.00764	1.1
101.02319	4.5
109.02888	0.9
113.02334	4.0
113.76028	0.9
123.04434	1.0
125.02321	1.0
133.02876	2.1
135.04407	1.3
145.02893	1.2
149.02420	1.2
152.99503	13.6
153.05527	1.2
161.02356	1.9
161.04506	1.0
163.03816	0.9
177.01877	3.3
179.03427	2.4
302.14435	1.1
381.22925	1.0
461.19461	2.5
471.31445	1.5
489.32611	1.5
533.14136	1.7
548.16077	8.5
548.29614	1.7
549.30585	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	548.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65245	0.9
55.44836	0.8
59.01253	52.0
61.98705	100.0
71.01247	6.5
73.02827	1.5
75.34483	0.8
78.95795	7.9
85.02834	1.6
89.02312	2.4
91.16724	1.0
93.03363	1.0
96.95856	1.0
96.96882	1.1
98.19765	1.7
99.00764	1.1
101.02319	4.5
109.02888	0.9
113.02334	4.0
113.76028	0.9
123.04434	1.0
125.02321	1.0
133.02876	2.1
135.04407	1.3
145.02893	1.2
149.02420	1.2
152.99503	13.6
153.05527	1.2
161.02356	1.9
161.04506	1.0
163.03816	0.9
177.01877	3.3
179.03427	2.4
302.14435	1.1
381.22925	1.0
461.19461	2.5
471.31445	1.5
489.32611	1.5
533.14136	1.7
548.16077	8.5
548.29614	1.7
549.30585	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	549.0883
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.53051	1.8
59.01254	11.5
61.98700	2.0
69.31308	10.9
69.31712	3.9
71.01272	10.2
73.02067	1.5
73.02817	2.6
73.09415	1.6
73.53894	1.8
74.37386	1.7
76.09156	1.5
83.01279	3.0
85.02810	4.6
86.24822	1.7
87.00735	2.7
89.02328	6.1
89.49566	1.4
96.95872	3.1
99.00758	4.5
101.02338	5.6
107.01271	3.1
108.02045	4.0
109.02829	3.0
113.02323	5.2
118.98027	1.7
119.03337	2.3
119.04990	2.0
129.05847	1.5
151.00276	12.2
152.00887	2.5
160.03931	4.1
161.02420	1.7
163.00310	3.1
178.99832	4.7
188.03464	3.7
190.05074	2.1
199.04045	2.2
218.04523	3.0
227.03413	5.9
241.06001	2.3
241.38646	1.6
243.02892	12.4
255.03004	30.8
255.07658	6.1
256.03348	2.8
267.07779	2.5
267.11288	4.2
269.04825	1.7
269.09290	3.6
270.04721	2.7
271.02499	61.8
271.05411	2.4
272.02893	8.8
273.03983	2.0
278.06943	2.0
281.05911	1.9
281.09262	3.4
283.07236	3.6
293.09470	2.2
295.07196	5.1
300.02747	100.0
301.03467	48.6
302.03894	3.2
309.08725	5.2
311.10349	26.6
312.10388	2.1
315.09897	10.5
327.09933	3.9
337.08383	14.2
355.09335	10.8
356.09265	2.2
369.10831	17.0
387.11923	16.0
429.13058	6.7
459.13742	4.6
463.08948	3.3
489.15283	19.2
490.15479	2.9
505.09805	70.3
506.10281	9.8
549.16382	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	549.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.8
60.99174	0.2
61.98703	0.7
77.03841	1.6
78.95809	0.3
93.03364	0.3
106.60947	0.2
121.02844	100.0
122.03178	4.5
131.26843	0.2
165.01843	55.5
166.02190	2.5
178.40875	0.2
180.05676	0.4
181.06517	2.1
182.06921	0.3
193.06505	0.2
196.71596	0.2
196.87646	0.2
197.06036	2.4
207.04465	1.0
207.08051	0.4
223.04106	0.3
225.05565	1.4
226.05853	0.2
257.09772	0.6
285.08963	0.3
313.07166	1.4
314.07416	0.2
330.46417	0.2
357.06140	0.8
383.07730	0.5
417.09879	2.3
454.36313	0.2
505.11414	1.8
506.11835	0.4
549.10394	25.8
550.10712	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.8
59.01251	8.4
61.98701	10.8
65.08105	0.8
69.22968	6.5
71.01254	8.8
72.99178	1.9
73.02817	1.9
75.00744	1.2
83.01273	2.1
85.02837	2.8
87.00773	1.7
87.97223	0.6
89.02325	4.9
92.81417	0.9
93.03340	1.3
95.01274	1.0
96.86203	0.9
98.19773	1.4
99.00747	4.1
101.02322	5.5
107.04898	1.3
108.02020	0.8
109.02833	1.2
113.02325	4.4
114.07529	0.7
117.03391	1.1
119.03451	1.8
121.02875	2.2
122.03628	1.2
123.00777	1.9
123.04443	1.6
125.02342	1.2
133.02853	1.2
134.03595	1.1
135.04399	1.2
136.01563	38.8
137.02362	7.6
145.02850	3.5
149.02307	1.0
149.06000	3.3
151.00282	6.7
151.03912	52.6
152.00983	1.0
152.04498	1.7
153.05460	1.5
161.02370	3.3
161.04469	2.7
162.03128	4.0
163.03851	1.9
166.02623	23.6
167.03290	1.6
175.03957	1.7
175.07555	1.1
177.01836	1.3
177.05504	7.0
178.02727	1.0
179.03406	1.8
181.04984	35.5
182.05356	1.3
184.03815	0.8
191.03397	1.4
193.04993	2.3
195.02960	1.0
205.04996	1.7
211.05971	1.1
255.10286	2.9
329.10394	2.1
339.08694	1.4
357.09824	10.4
358.10187	0.9
369.14102	4.5
369.18182	1.0
372.12094	5.9
373.12656	2.8
387.14490	100.0
388.14877	11.1
436.07816	0.8
549.16150	1.2
550.32483	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	549.1976
Annotation	Eucommin A
Peak:m/z	Relative Intensity
59.01251	5.0
61.98692	0.9
66.92252	0.5
71.01252	5.1
73.02821	2.2
75.00748	0.6
75.20480	0.5
80.94572	0.5
83.01254	0.8
83.02390	1.4
84.02004	0.7
85.02811	1.8
85.26888	0.6
87.33015	0.5
88.46621	0.5
89.02305	2.8
93.03332	1.0
98.20562	1.7
99.00745	4.9
101.02328	2.3
108.02052	1.5
109.02814	0.9
113.02321	2.1
121.02850	4.8
122.03617	2.3
123.00743	2.3
123.04426	0.6
124.01481	0.7
125.02324	0.9
131.03419	0.9
135.04446	0.8
136.01561	36.9
137.02414	4.5
149.04456	1.5
151.00285	15.5
151.03918	46.0
152.00926	0.6
152.04306	2.0
154.02612	0.6
159.04442	0.6
160.05173	0.7
161.02328	0.7
161.04477	1.4
162.03175	1.0
163.03902	1.1
164.04720	0.6
166.02635	43.5
167.03169	2.7
175.04005	0.8
177.01875	2.6
181.04994	46.5
182.05319	2.0
189.05487	0.6
190.06227	0.7
191.03328	0.6
191.05542	1.0
192.04311	0.6
193.04874	0.7
205.04880	1.0
207.06502	0.7
229.61418	0.7
243.95180	0.6
250.63744	0.6
324.71634	0.5
329.10425	1.3
337.08566	0.9
341.13864	0.6
355.10416	0.6
357.09833	10.7
358.10184	0.7
372.12183	6.3
387.14511	100.0
388.14859	13.0
399.34869	0.6
407.51010	0.5
445.64160	0.7
474.87183	0.5
549.29645	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46735	1.2
55.01747	2.2
58.00474	2.2
58.30194	1.5
59.01251	63.5
61.98701	3.3
71.01254	45.7
72.01585	1.6
72.99190	5.3
73.02835	4.5
75.00745	1.5
83.01276	3.9
85.02824	11.1
87.00752	3.4
87.68208	1.6
89.02319	35.2
89.02843	2.5
95.01266	4.4
96.95919	3.5
99.00764	5.1
101.02322	25.2
106.06493	4.8
112.25743	1.4
113.02327	13.5
115.00310	1.8
119.03396	11.0
119.04911	4.0
121.02840	1.8
122.06044	2.7
130.02879	3.5
131.03619	3.9
132.04463	4.6
134.06012	50.7
135.04453	1.6
135.06302	2.0
145.02861	1.8
146.05984	3.1
147.03300	1.5
148.03944	3.0
149.04436	1.9
150.05595	1.4
152.07129	5.1
153.09183	1.7
158.02393	15.7
160.01593	1.4
160.03934	3.8
161.02325	3.1
161.04541	3.2
162.05533	4.5
163.03917	3.2
175.03917	1.8
176.03369	3.0
179.03442	2.3
179.05504	2.7
190.05022	80.9
191.05463	5.9
192.06580	3.8
218.04530	2.3
222.07640	32.4
223.07979	2.6
229.67107	1.5
234.07724	2.4
237.09950	1.5
249.10307	2.0
255.07744	3.7
267.11316	2.2
269.09473	1.4
277.09747	2.3
278.10458	1.4
281.09537	2.3
283.07248	2.6
293.09247	2.0
295.07205	1.8
305.09436	5.4
309.08780	7.0
309.12527	4.4
311.10455	17.7
314.12430	10.9
315.09784	8.6
327.09912	3.7
337.08273	7.6
337.11911	46.5
338.12183	6.6
355.09366	8.0
355.13281	2.5
369.10675	5.4
369.14587	27.1
370.14832	2.7
387.11935	9.6
411.12390	2.1
429.12955	8.8
430.13037	1.8
457.12540	2.1
459.14227	3.1
489.14905	17.3
490.15433	2.8
500.91693	1.6
517.18317	79.2
518.18677	13.8
549.21014	100.0
550.21136	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	549.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.6
58.00475	2.4
59.01254	84.3
59.99476	1.1
61.98687	4.9
71.01257	34.2
72.99170	4.8
73.02818	6.8
75.00734	2.4
80.91560	1.4
81.23533	1.0
83.01263	2.1
85.02834	9.3
87.00748	3.3
89.02319	34.4
90.23861	1.2
93.03327	2.4
95.01253	3.1
95.04893	1.3
99.00773	8.8
99.04388	8.4
101.02328	19.6
108.02071	1.6
109.02828	1.6
113.02345	11.3
117.01826	5.9
117.03358	3.7
119.03382	10.5
119.04925	5.7
121.02882	2.4
121.06503	1.3
123.04411	4.5
125.02328	1.7
133.02879	7.8
135.04424	5.9
136.01566	1.2
137.02301	2.9
138.02791	1.1
143.03384	3.2
145.02863	11.9
149.04417	2.6
151.03876	3.0
153.05516	1.5
161.01065	2.0
161.02365	25.3
161.04482	5.3
161.05925	2.4
162.03038	1.5
163.03917	6.7
165.12744	2.9
167.03360	1.4
177.01938	1.8
177.05499	9.2
179.03413	10.4
179.05550	9.0
179.06892	1.9
189.12724	2.2
191.05524	1.6
205.04996	2.1
207.13832	7.6
209.11781	25.4
210.12077	2.1
225.14923	7.4
235.06148	1.3
251.12862	5.4
265.07080	2.8
269.13940	89.1
270.14368	6.2
271.02438	1.9
271.05923	1.8
279.07199	1.6
299.01984	3.6
300.02698	2.6
329.02966	4.3
344.05215	4.3
345.06070	4.2
387.24307	1.4
433.24802	1.6
447.97562	1.4
449.20282	100.0
450.20670	13.3
489.26837	2.0
548.27838	1.4
549.12427	4.1
549.22784	29.3
549.29541	7.3
550.22852	5.8
557.84131	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62040	0.2
57.03310	0.3
58.00486	0.3
59.01250	5.8
60.68726	0.2
61.98700	2.5
63.06637	0.2
71.01254	3.8
71.04874	0.3
72.99184	4.4
73.02815	1.2
74.02367	0.3
75.00780	0.3
83.01270	0.6
85.02822	1.8
87.00774	1.1
87.04426	0.2
88.98685	0.8
89.02305	2.1
93.03332	0.9
95.01255	0.4
95.04906	0.4
96.95885	0.3
99.00772	0.6
99.04420	0.3
101.02305	2.3
101.05941	0.2
105.03355	0.5
107.04942	0.3
109.02811	0.4
113.02332	1.5
117.03363	3.6
118.03719	0.3
119.03408	1.0
119.04916	0.9
121.02819	0.3
123.04409	0.8
123.08054	0.5
126.22284	0.3
126.81995	0.2
132.02040	1.5
133.02852	30.7
133.95248	0.3
134.03088	1.7
135.04416	7.7
136.04723	0.3
137.02301	1.3
137.09602	0.3
143.03407	0.3
145.02853	7.7
146.03189	0.6
149.02385	0.3
149.05946	0.4
150.53281	0.2
151.03926	0.3
160.01523	0.6
161.02351	100.0
162.02693	5.1
163.03894	1.5
163.11165	0.8
167.03436	0.4
171.11714	0.3
173.04478	0.8
175.03979	0.3
177.01770	0.3
177.05518	0.3
178.02655	0.3
178.14015	0.2
179.03401	3.9
179.05072	0.3
179.05597	0.4
189.12784	1.0
196.87352	0.2
205.05002	0.3
207.13847	0.7
213.14861	0.3
221.04501	0.5
225.11288	0.6
265.07315	0.4
269.13837	0.8
281.06537	0.4
339.23206	0.3
439.28650	0.3
449.27603	0.7
505.26599	0.4
549.23419	72.4
549.30231	2.5
550.23785	13.5
550.31134	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26506	0.3
57.03312	0.5
58.00463	0.3
59.01250	9.7
60.45795	0.4
61.98703	24.0
62.78818	0.4
69.23968	2.9
71.01247	7.3
72.99190	1.0
73.02820	2.2
78.95835	0.4
82.94131	0.3
83.01253	1.1
85.02802	2.2
87.00777	0.8
89.02317	5.7
89.89413	0.4
93.03345	1.0
95.01268	0.6
97.02853	0.4
98.20513	0.7
99.00758	6.4
101.02307	3.9
108.02083	1.0
109.02847	0.4
111.00784	0.6
113.02332	5.0
117.03349	26.6
118.03702	1.2
119.03503	0.7
119.04913	9.1
121.02837	0.6
123.04391	1.0
125.02360	0.4
131.03409	1.0
133.02844	4.2
133.06487	0.4
134.03548	0.4
135.04433	2.7
137.02348	2.0
139.03931	0.4
143.03401	0.6
145.02855	100.0
146.03174	5.1
147.07988	0.4
149.04465	3.9
152.01059	1.3
161.02350	10.2
161.04497	2.0
161.05972	1.2
162.02835	0.4
163.03922	10.0
164.04271	0.6
175.07513	0.5
177.01862	3.0
177.05429	0.6
178.02322	0.4
179.03418	1.6
179.05521	0.9
189.09229	0.6
191.05521	2.8
205.05046	1.8
205.12317	1.0
233.06630	1.2
235.06139	1.1
255.16026	0.4
265.07132	2.8
269.14001	1.1
307.08310	0.5
325.09225	0.5
354.01001	0.4
369.09894	0.4
375.20651	0.4
387.10822	0.5
417.25165	1.1
469.91647	0.4
489.27103	0.6
549.23291	67.9
550.23645	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	549.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.3
59.01252	9.0
59.01537	0.5
60.01576	0.4
61.98703	2.0
69.45979	1.7
71.01251	5.0
72.99200	1.2
73.02830	1.0
75.00765	0.6
81.03367	0.4
83.01279	0.9
84.02074	0.4
85.02839	2.2
87.00790	0.5
88.37886	0.3
89.02319	2.6
93.03361	0.8
99.00772	0.8
101.02305	1.9
102.21080	0.3
107.05865	0.3
109.02868	0.4
113.02332	1.7
115.00245	0.5
117.03352	25.7
118.03712	1.2
119.03445	0.8
119.04927	10.7
120.05274	0.6
121.06510	0.5
123.04401	0.5
133.02887	1.1
133.06581	0.5
135.04422	0.6
136.01550	0.5
137.02350	1.0
145.02863	100.0
146.03197	5.1
151.03908	0.6
152.01027	0.6
161.02328	2.6
161.04593	0.5
161.06006	1.9
163.03931	14.2
164.04247	0.7
166.02666	0.6
167.03423	0.4
175.03877	0.4
177.01878	0.6
177.05496	0.9
179.03346	0.8
181.05058	0.7
193.05077	0.3
205.05037	2.3
221.04536	0.3
223.13368	0.4
235.06068	1.1
265.07065	1.7
271.02274	0.3
357.09726	0.4
387.14459	1.1
433.24347	0.6
525.85211	0.4
549.23181	57.6
550.23505	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	549.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	2.2
57.03326	3.1
58.00465	5.5
59.01251	100.0
60.01588	1.6
61.98698	0.8
64.99830	0.4
68.24836	0.5
69.85610	1.5
69.86020	0.7
71.01254	91.5
72.01588	1.5
72.99182	9.6
73.02820	6.8
75.00746	1.0
83.01258	5.8
84.02066	0.5
85.02824	22.1
86.03172	0.6
87.00758	4.5
87.04357	0.4
89.02319	93.6
90.02669	1.2
95.01270	6.2
97.02843	0.6
99.00761	2.2
101.02323	57.6
102.02679	1.5
113.02332	34.7
114.02654	1.2
119.03390	45.9
120.03752	0.9
125.02330	1.6
125.33282	0.4
129.01843	0.5
131.03401	5.0
137.09630	2.8
141.59758	0.5
143.03404	8.4
149.04446	3.4
149.09615	0.7
159.02859	2.2
161.02312	0.9
161.04463	15.0
162.02689	0.5
163.81133	0.4
171.11722	0.4
179.05540	19.8
180.05864	0.5
189.12770	1.3
205.03502	0.4
207.13857	0.9
223.66345	0.4
225.14935	1.7
240.04236	0.4
284.23987	0.5
369.19339	2.5
370.19122	0.5
385.45743	0.4
387.20236	12.2
388.20602	1.2
421.79352	0.4
431.19199	0.6
549.25525	61.9
550.25867	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	549.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48701	0.3
57.12900	0.3
59.01250	100.0
60.01594	1.2
61.98695	2.3
71.01257	0.5
71.04863	0.3
71.52041	0.4
73.02841	0.7
78.95746	0.4
88.37321	0.3
89.02354	0.3
89.42816	0.3
105.17101	0.3
123.28457	0.3
161.02405	0.6
179.03539	0.4
197.51967	0.4
321.20892	0.9
332.97742	0.3
453.29968	1.9
454.30826	0.5
455.31744	1.5
471.31171	6.6
472.31271	1.7
487.31216	0.9
489.32111	6.1
490.32788	1.4
513.27484	0.5
549.34717	1.0
568.53619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.1
57.03336	1.7
58.00471	0.4
58.36223	0.2
59.01252	100.0
60.01591	1.0
61.98704	3.0
68.99667	0.3
69.03335	0.4
71.01257	17.0
72.99201	0.6
73.02818	4.2
75.00754	0.5
77.66842	0.2
78.95781	1.7
79.65826	0.3
83.01260	2.6
83.04880	0.3
85.02825	10.0
85.52547	0.2
85.99984	0.4
87.00770	1.2
89.02316	2.9
90.02652	0.2
95.01263	2.0
97.02844	1.0
99.00752	1.9
101.02328	8.7
108.02088	0.3
111.00760	0.8
111.08055	0.4
112.01559	0.3
113.02334	9.9
114.02658	0.3
116.01177	0.2
119.03429	0.8
124.01585	0.5
125.02335	1.0
127.11173	0.5
129.01837	0.3
133.02815	0.2
135.04468	0.4
137.02332	0.9
141.01794	0.4
143.03400	1.8
145.02925	0.3
152.01064	0.4
152.99521	2.2
155.10645	0.3
156.00323	0.3
159.02907	0.5
161.02341	0.6
161.04471	3.4
163.03891	0.3
164.22127	0.2
171.13828	0.9
177.01903	0.4
177.98978	0.3
179.03358	0.3
209.11789	0.4
253.37431	0.3
299.25970	1.8
345.30042	4.1
346.30383	0.3
405.21396	0.3
441.32111	0.6
459.33182	0.4
463.20901	0.5
475.29224	0.4
487.30557	0.3
489.34341	37.6
490.34714	6.2
490.41180	0.2
507.35367	18.2
508.35831	2.8
518.19598	0.4
549.29730	1.9
549.37378	0.4
550.23560	0.3
550.31079	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44486	0.2
55.01759	0.8
57.03327	2.0
58.00466	0.3
59.01252	100.0
60.01596	1.6
61.98695	1.9
69.03342	0.4
69.42881	1.3
71.01255	16.6
72.01597	0.4
72.99181	0.6
73.02821	3.9
78.95769	1.1
83.01273	2.5
85.02828	9.2
85.03352	0.5
85.99978	0.5
87.00753	1.1
89.02319	2.8
93.03356	0.6
95.01253	1.9
97.02820	0.5
99.00766	1.7
101.02327	8.9
108.02033	1.2
109.02841	0.4
111.00772	0.8
112.01590	0.3
113.02336	9.7
115.03918	0.3
119.03387	0.6
124.01591	0.3
125.02345	1.1
129.90398	0.2
137.02328	1.6
143.03435	1.6
145.02869	0.5
152.01071	0.7
152.07001	0.3
152.99510	1.1
159.02951	0.4
161.02382	0.4
161.04474	4.0
163.03941	0.3
174.35959	0.2
190.40828	0.3
197.15402	0.3
213.18611	0.4
242.08194	2.6
295.88766	0.2
299.25903	1.4
315.07269	0.5
327.29318	0.2
337.12161	0.3
345.30130	4.5
346.30286	0.5
387.31369	0.3
415.30646	0.2
441.31747	0.4
453.32458	0.3
459.33292	0.4
463.20990	0.4
489.34329	42.8
490.34656	7.9
507.35370	22.1
508.35699	4.5
534.17352	0.9
549.23199	0.4
549.29376	1.4
549.37000	1.0
550.17230	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27334	0.3
59.01254	5.6
60.01580	0.9
61.01684	0.8
61.98705	100.0
70.26532	0.8
70.26864	0.2
73.25575	0.2
84.95797	0.2
124.92007	0.3
129.37433	0.3
147.44067	0.3
183.84959	0.2
252.63516	0.3
488.53738	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.0
61.98701	100.0
64.46947	0.3
66.99420	0.3
71.07787	0.7
78.95780	0.3
79.83244	0.3
80.96384	0.6
93.69192	0.3
96.95884	0.3
111.63980	0.3
114.26730	0.4
133.14023	0.3
153.87349	0.3
159.15965	0.3
181.96904	0.3
297.24344	0.3
404.19489	0.3
469.33475	0.4
490.35300	0.5
551.24591	0.5
551.32251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	4.4
59.01252	100.0
61.98706	11.6
69.31816	8.5
69.32236	6.1
71.01250	41.1
72.99163	5.5
73.02818	18.3
73.22769	1.6
75.00732	3.4
76.85181	1.6
82.96127	1.6
83.01263	10.1
83.02376	3.7
85.02823	19.8
87.00726	6.1
88.98679	4.7
89.02311	11.9
93.03342	4.2
95.01266	3.5
97.02817	5.0
99.00743	10.9
101.02316	34.8
108.02033	2.3
111.00775	2.1
112.01578	1.9
113.02337	22.9
117.03361	11.2
119.03403	1.8
119.04912	12.6
121.02833	3.3
125.02313	5.0
131.03416	2.1
133.02861	2.7
133.06522	2.7
134.03571	2.4
135.04411	4.3
135.19159	1.9
137.02321	8.2
141.01703	1.7
143.03346	3.8
145.02853	43.2
146.03169	7.1
149.09602	2.6
153.56071	1.8
159.02882	3.6
161.02333	7.5
161.04457	9.6
161.05980	8.0
163.03928	14.4
167.10721	2.3
177.05518	3.7
179.03491	3.6
180.43381	2.0
195.45941	2.2
205.04913	11.7
211.91991	1.8
223.93954	2.1
235.06013	3.0
265.07172	8.6
315.18015	3.2
319.83310	1.7
333.19165	13.6
336.95975	1.9
375.20047	2.9
447.22098	4.4
465.23233	25.5
466.23688	4.4
507.23947	43.1
508.24741	7.1
551.23212	23.8
551.30835	21.6
552.24481	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	551.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53905	0.4
55.01748	1.2
57.03304	0.6
58.00462	2.1
59.01250	15.8
61.98694	5.4
63.98940	0.5
69.03315	1.3
71.01257	10.0
71.04893	3.8
72.89973	0.4
72.99182	1.3
73.02824	9.8
78.95776	1.9
81.03334	11.8
83.01258	1.1
84.02029	0.6
84.33192	0.5
84.57953	0.5
85.02811	2.1
87.00748	1.0
89.02310	2.2
95.04928	0.6
97.02824	1.8
97.06433	0.6
97.73956	0.5
99.00755	1.4
99.04397	2.8
101.02322	3.4
113.02332	1.9
116.04659	1.0
117.03349	0.7
119.03384	0.9
125.02341	1.3
125.06001	0.8
135.04314	0.5
135.08047	0.6
137.02318	0.8
139.07570	1.0
143.03406	16.8
145.02869	2.4
152.99484	1.6
153.09113	1.7
161.04535	0.7
163.03928	0.5
163.14854	0.5
167.14320	1.6
173.13260	0.5
175.06050	1.0
179.03471	0.5
179.14272	0.7
183.13838	4.4
191.14310	3.2
193.07068	1.1
193.15891	0.6
195.13857	7.2
197.15414	3.1
207.13885	1.9
209.15405	5.8
213.14915	25.6
214.15274	1.7
225.11374	0.6
227.16484	11.0
228.16917	0.6
235.05984	0.5
237.14954	5.9
255.16011	9.1
256.16232	0.7
267.16064	0.6
413.27231	0.5
465.19379	0.7
551.27130	100.0
552.27490	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	551.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.8
59.01252	100.0
61.98706	9.7
69.33498	3.3
69.33931	4.9
71.01252	17.0
72.99176	2.4
73.02819	7.3
75.00749	2.4
83.01247	3.9
83.44930	1.0
83.74657	1.0
85.02824	9.8
85.68135	1.0
87.00758	2.3
88.98676	2.9
89.02319	5.5
95.01223	2.1
99.00758	2.9
101.02325	13.5
108.02066	3.4
112.01558	1.1
113.02332	9.4
117.03347	2.8
119.03413	2.2
119.04878	5.2
119.47287	1.1
121.02794	1.8
123.04369	1.5
125.02296	1.5
133.02861	2.2
135.04395	2.8
137.02345	5.7
143.03534	1.1
145.02852	13.4
150.03207	1.5
151.03882	1.3
152.01044	3.6
161.02353	8.4
161.04457	2.5
161.05989	1.9
162.02753	1.5
163.03899	6.1
164.04588	1.0
167.03371	1.8
177.05511	1.3
179.03444	2.5
183.13817	1.5
203.57039	1.0
205.05016	3.9
209.47836	1.2
213.14919	1.4
227.12799	2.1
265.07156	3.2
337.07550	1.4
387.23651	1.1
405.24902	1.3
447.25995	1.9
465.27173	4.6
473.12564	1.3
489.26968	3.5
491.28464	2.8
507.28073	81.0
508.28461	10.7
509.30222	1.3
533.24060	2.2
551.14117	2.8
551.23718	12.9
551.32159	9.9
552.24774	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	551.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	16.0
61.98722	1.2
71.01257	1.9
73.34816	1.0
78.95798	1.1
81.14666	1.1
89.02312	3.1
93.99578	0.9
101.02306	3.1
107.82409	1.1
113.02316	1.1
161.04420	1.2
235.08116	2.5
253.09265	13.6
255.23279	100.0
256.11285	1.2
256.23654	9.9
275.63293	1.0
469.33145	1.8
508.69879	1.2
522.97101	1.3
572.68805	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	100.0
78.43409	2.1
89.91117	2.1
98.19787	6.1
103.09834	2.1
160.63971	2.5
300.27826	2.7
301.67651	2.4
328.54565	2.6
450.76474	2.4
459.58511	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	553.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02863	1.2
59.01251	13.7
60.99175	15.6
61.98699	9.6
66.20194	1.0
69.16229	9.0
71.01255	11.6
72.99163	4.8
73.02818	2.9
74.03108	0.8
75.00741	2.0
79.80527	0.8
83.01256	2.3
85.02829	5.3
87.00742	4.0
88.00277	3.0
88.98679	100.0
89.02319	20.1
89.98991	0.9
90.01844	1.5
95.01270	1.9
97.02838	0.9
99.00758	5.8
101.02335	8.0
102.01883	1.2
111.00713	0.8
113.02331	6.5
119.03382	2.6
123.65986	0.8
131.03380	0.9
133.02824	1.0
134.67603	0.8
135.04393	1.4
145.02847	1.0
149.04448	3.6
159.02914	1.1
160.01482	0.9
161.04445	2.7
177.01840	1.4
179.03297	1.0
179.05511	1.0
189.10582	0.9
191.05446	1.2
212.46779	0.7
223.58551	0.8
225.07239	0.8
229.14473	4.5
265.07062	0.9
267.00806	0.8
272.43143	1.0
300.02377	0.9
341.10959	1.7
361.10886	0.9
391.23337	1.0
439.74353	0.9
463.08859	1.3
463.21768	5.4
480.96405	0.8
493.29788	1.5
553.29272	9.1
554.20905	0.9
554.29291	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74560	0.2
51.86247	0.2
53.68266	0.2
57.03327	0.4
59.01252	6.4
59.85456	0.2
61.98704	1.3
71.01253	4.4
72.99178	0.5
73.02800	0.4
78.95792	0.3
83.01278	0.4
85.02818	3.7
87.00780	0.3
89.02317	3.3
93.03323	0.2
95.01266	1.1
101.02325	1.8
103.03913	0.3
113.02337	6.2
117.03349	23.7
118.03680	1.0
119.03493	1.0
119.04914	5.1
120.05287	0.3
121.92961	0.2
123.04448	0.3
131.03456	0.3
133.02814	0.2
145.02855	100.0
146.03192	5.6
161.02350	0.2
161.04518	1.1
161.05650	0.2
163.03922	5.7
164.04236	0.3
179.05402	0.3
229.51564	0.3
407.19351	1.5
517.24207	0.6
553.22882	15.1
554.23230	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	553.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30151	0.6
52.11121	0.7
59.01249	4.2
61.98701	2.4
63.96099	0.9
66.70082	0.6
71.01253	7.1
71.52060	0.7
73.02837	2.0
78.95774	2.1
78.98465	5.0
79.95609	10.0
80.96391	64.8
85.02835	2.7
87.00767	2.4
94.97959	15.9
96.95905	1.5
97.02834	1.1
99.00788	1.1
101.02357	2.1
106.97990	3.8
122.97488	3.1
125.02368	2.8
134.97490	4.4
136.99059	1.3
148.74007	0.7
148.99075	4.8
152.98488	4.0
164.98535	9.7
167.37566	0.7
206.99648	2.1
223.75949	0.7
225.00719	13.5
227.51181	0.9
253.21745	2.3
255.23283	20.0
299.04510	2.5
325.49350	0.7
471.34805	34.7
472.35037	6.0
477.76871	0.7
480.31006	7.6
553.27051	100.0
553.35254	20.9
554.27374	18.8
554.35547	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	553.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57248	0.5
59.01256	1.0
60.58442	0.4
61.98703	6.3
63.96101	0.6
65.05712	0.5
71.01255	7.2
72.76799	0.4
73.02818	2.0
78.95766	0.5
78.98459	6.5
79.95128	0.6
79.95606	11.1
80.96391	68.0
81.03309	0.5
83.01241	0.5
85.02821	3.0
87.00741	3.0
94.97960	15.3
95.29546	0.5
96.95882	1.5
97.02831	1.3
99.00713	0.7
101.02330	2.8
106.97975	3.0
113.02390	0.5
115.77618	0.4
122.97453	4.6
125.02323	3.2
127.03898	0.8
134.97466	4.5
136.99039	2.2
148.99043	5.3
152.98538	5.6
159.34357	0.5
164.98543	12.3
165.33472	0.4
179.00259	0.5
182.99603	0.6
206.99654	2.8
225.00697	15.1
226.01111	0.5
226.25861	0.4
247.49304	0.5
253.21829	2.6
269.91284	0.5
299.04434	3.2
345.12253	0.5
423.32745	1.0
471.34723	4.1
472.35226	0.8
503.21146	0.5
553.26874	100.0
554.26813	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	553.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.0
61.98698	8.2
63.76440	0.6
71.01257	1.5
71.22044	0.9
78.98454	1.2
79.95611	2.5
80.96390	15.5
91.27776	0.6
94.97977	3.4
96.95888	0.7
106.98011	0.7
122.97500	0.8
134.74440	0.6
134.97429	1.2
148.98953	0.9
149.16617	0.7
152.98509	1.5
164.98544	2.6
212.63005	0.7
223.42619	0.6
225.00708	2.8
245.40680	0.6
465.20721	0.7
471.34799	100.0
472.35086	18.9
472.41531	1.3
553.26868	19.2
553.35187	48.6
554.27087	4.0
554.35504	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	553.351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88448	0.6
59.01244	1.7
61.98705	10.8
62.35009	0.7
63.96101	0.9
69.03331	0.7
70.12054	2.9
71.01267	4.7
73.02814	1.4
78.98463	3.8
79.95604	7.1
80.96392	41.7
83.01264	0.8
85.02818	1.9
87.00752	2.4
91.88791	0.6
92.77689	0.7
94.97956	10.5
96.95870	1.5
97.02817	0.8
98.20432	0.9
101.02325	2.1
106.01323	0.8
106.97946	2.8
113.02266	0.6
122.97474	2.2
125.02347	3.3
134.97498	3.2
136.99043	1.0
148.99074	3.7
152.98512	4.4
154.47261	0.7
158.81288	0.7
164.98535	9.4
177.51268	0.7
206.99551	2.0
210.25600	0.9
225.00699	9.3
253.21657	2.2
299.04581	1.9
423.32767	1.5
471.34787	100.0
472.35114	18.1
553.26831	67.0
553.35181	62.2
554.27325	12.4
554.35468	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	553.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01584	1.1
61.98703	2.0
68.99680	0.1
70.93916	0.2
70.94242	0.1
71.01257	1.0
72.99182	0.2
73.02838	0.2
74.02341	0.3
77.84199	0.1
78.95773	1.0
79.54401	0.1
80.96444	0.2
83.04932	0.1
85.02824	0.5
87.41006	0.1
89.02330	0.6
92.34732	0.1
101.02327	0.5
113.02373	0.4
113.66261	0.1
119.03445	0.2
120.99638	0.2
121.02829	0.2
121.78911	0.1
123.04459	0.1
124.01588	0.1
133.02873	0.5
135.04454	0.4
138.58617	0.2
145.02887	0.3
145.18759	0.1
152.99521	0.7
161.02409	0.5
161.04468	0.3
177.01915	0.2
178.02483	0.1
179.03444	0.4
180.10815	0.1
185.11914	0.2
193.05063	0.2
195.06703	0.2
201.11154	0.1
225.11259	0.2
280.88516	0.1
314.04367	0.2
325.20239	0.2
329.06802	0.2
345.24310	0.3
391.27432	0.2
428.94559	0.1
457.33768	0.2
493.35382	2.0
494.35458	0.2
553.23486	1.3
553.38654	1.1
554.24622	0.1
554.37903	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54567	0.2
59.01250	100.0
60.01589	0.9
61.98707	1.5
69.32009	1.1
69.32405	0.3
71.01263	0.9
73.02828	0.2
74.02336	0.3
74.44547	0.2
78.95773	0.9
80.96411	0.3
83.04874	0.2
85.02821	0.4
89.02326	0.8
98.20321	0.8
101.02341	0.5
113.02338	0.3
117.67294	0.2
119.04919	0.2
133.02911	0.3
135.04395	0.2
137.02371	0.2
142.03043	0.2
145.02902	0.3
150.03157	0.3
150.06882	0.3
152.99521	0.7
161.02385	0.5
163.03995	0.2
165.05441	0.2
178.02638	0.9
192.84567	0.2
193.04942	1.2
195.06575	0.5
207.10229	0.3
223.05980	0.5
225.11363	0.4
227.03432	0.2
299.02185	0.6
314.04568	0.3
329.06595	1.0
345.24539	0.4
457.33182	0.3
493.35373	1.9
494.35791	0.4
553.23431	1.1
553.31061	0.3
553.37866	0.8
554.23975	0.2
554.38263	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13778	0.2
59.01251	22.5
61.98700	0.5
71.09654	0.2
71.09975	0.2
78.95774	18.8
79.95585	0.2
80.96390	0.7
85.38197	0.2
96.96801	0.2
122.98437	0.3
150.39622	0.2
152.99484	3.1
168.04227	3.2
212.75764	0.2
224.06882	9.0
225.07188	0.3
237.22194	0.3
242.07935	1.9
255.23262	100.0
256.23605	9.7
256.26385	0.2
453.34439	0.2
480.30942	62.3
481.31201	9.5
554.26984	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.208
Annotation	Dracunculifoside P
Peak:m/z	Relative Intensity
52.60667	0.1
52.64766	0.1
55.01757	0.2
57.03323	0.5
58.00468	0.3
59.01251	8.0
61.98699	1.8
68.12749	0.1
69.03355	0.2
69.19670	0.7
69.20099	0.8
71.01254	7.3
72.01595	0.2
72.99188	0.7
73.02831	0.7
77.03848	0.3
78.95783	0.2
80.96352	0.2
81.03361	0.2
83.01239	0.3
85.02823	4.1
86.03188	0.2
87.00766	0.6
89.02320	4.7
89.03889	0.2
93.03342	0.1
95.01257	1.4
95.04871	0.2
96.95885	0.2
97.02885	0.2
99.00764	0.5
101.02323	2.3
103.03925	0.3
103.94704	0.2
105.03339	0.7
108.02056	0.3
109.06523	0.2
113.02333	7.3
114.02686	0.3
115.01783	0.2
115.80852	0.2
117.03346	1.6
119.03403	1.3
119.04929	0.3
123.04441	0.5
125.02316	0.2
125.06044	0.1
131.03397	0.2
132.02058	1.8
133.02852	30.6
134.03256	1.4
135.04413	4.9
136.04774	0.3
137.02330	0.4
142.85791	0.1
143.03436	0.3
145.02887	0.4
149.02420	0.3
149.04482	0.2
150.03088	0.3
151.00255	0.2
152.01071	0.3
152.99510	0.2
153.09090	0.2
153.77019	0.2
160.01613	0.3
161.02353	100.0
162.02687	5.1
163.03883	0.5
178.02591	0.2
179.03426	1.6
179.05562	0.4
184.73869	0.2
201.05476	0.2
202.06308	0.2
219.13896	0.4
229.08638	0.3
230.09424	0.2
247.11821	0.2
289.16602	0.3
290.16864	0.3
291.17010	0.2
337.10898	0.4
379.08224	0.4
379.16083	0.2
393.17673	1.5
394.17950	0.2
423.21228	0.4
555.20752	33.5
556.21130	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	555.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85107	2.3
54.72340	2.3
55.13387	2.2
57.03321	8.9
58.00465	4.6
59.01251	96.1
61.98698	25.6
67.01792	2.9
68.99680	7.2
69.03334	4.2
69.42671	16.5
71.01252	100.0
72.99184	13.7
73.02818	11.1
75.00742	12.2
78.95783	13.7
83.01266	9.8
85.02825	51.3
87.00768	12.5
89.02321	48.9
93.03365	3.9
95.01268	16.2
97.02819	3.2
98.02366	2.6
99.00759	79.2
101.02314	48.0
102.37360	2.2
107.04946	5.7
108.02064	5.2
109.02835	49.7
109.03513	4.1
111.00752	4.1
111.04389	13.3
113.02332	78.6
113.99463	7.5
115.00255	9.5
119.03384	27.2
119.04895	6.1
123.00771	3.7
123.04421	6.0
125.02357	3.9
125.14752	2.9
127.00336	2.8
131.03445	2.5
135.04378	13.6
137.02341	5.2
138.17255	2.3
138.27138	2.5
139.00279	3.0
143.03418	5.0
145.02864	5.6
149.02422	4.8
149.04556	3.4
150.03134	4.8
151.03856	2.8
152.01109	2.8
152.99515	18.3
153.01834	54.5
155.90652	2.6
158.03630	4.1
161.02354	8.5
161.04448	13.4
163.03920	11.0
164.04745	2.5
165.05446	2.9
165.12770	6.3
167.03345	3.0
171.00536	3.7
171.10191	7.7
173.06000	3.7
174.03099	5.9
175.03885	4.7
177.01897	4.3
179.03436	6.7
179.05553	4.3
183.13896	15.6
187.03993	6.3
187.07544	4.8
187.14914	4.2
192.04271	5.6
200.04678	5.2
201.05511	17.5
201.08986	3.2
202.06276	14.8
203.07069	7.0
209.11993	2.9
213.12860	4.1
227.12898	10.1
229.08632	22.1
230.09402	21.6
246.08885	2.8
247.09708	11.0
248.10211	2.3
255.13858	9.5
267.03378	2.7
273.14966	3.7
303.16003	3.4
327.21747	10.2
329.16064	5.4
341.23599	2.9
379.08136	7.3
389.18237	3.6
393.19180	23.0
411.20166	6.6
437.18143	74.9
438.18506	9.4
439.19693	4.5
449.21994	8.1
451.19934	19.3
455.19327	19.3
456.19894	3.3
481.21008	7.4
493.20779	9.6
495.18750	59.6
496.19150	8.2
507.19086	3.7
511.21741	9.5
519.18634	4.2
537.19434	23.9
538.19995	5.5
546.66864	2.8
555.20276	19.9
555.27362	32.1
556.26044	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	555.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00010	1.3
57.03283	1.3
59.01241	8.8
59.40862	1.2
60.99181	15.4
61.98703	2.3
69.25316	2.8
69.25716	9.7
71.01262	6.0
72.99187	4.6
73.02818	3.5
75.00747	2.6
83.01260	2.2
83.41592	1.4
85.02825	3.0
87.00761	3.7
88.00275	3.3
88.98678	100.0
89.02317	13.3
94.97970	1.3
95.01279	1.5
98.19748	2.9
99.00742	3.5
101.02313	4.9
113.02357	6.1
117.03426	1.7
119.04942	1.8
120.74090	1.4
125.02361	2.5
145.02846	7.1
150.03041	1.6
159.71268	1.2
161.02356	3.9
179.03256	1.9
269.04510	5.2
302.78226	1.3
354.67300	1.4
411.96255	1.3
465.23370	6.0
466.23557	1.9
479.19449	2.2
555.27466	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	4.1
58.00489	1.7
59.01249	24.5
61.77836	1.2
61.78164	1.4
61.98697	11.3
64.03852	1.1
67.01799	1.5
69.03351	1.8
71.01252	32.6
71.52100	1.8
72.99181	48.7
72.99580	2.6
73.02840	3.6
78.95776	12.2
81.03359	1.4
83.01269	1.9
85.02825	25.0
87.00774	1.3
89.02317	12.1
95.01247	10.6
95.04912	1.2
96.95908	2.2
97.06529	2.0
101.02316	12.5
106.04177	1.7
107.04964	2.3
109.02850	3.5
110.62246	1.2
111.08100	2.0
113.02333	56.0
117.03403	1.6
119.03439	1.5
119.04932	3.0
121.02911	1.3
121.06482	18.4
121.07204	1.4
123.04430	18.5
133.02924	2.2
134.03600	2.1
135.04420	36.9
137.02370	3.6
143.03416	2.7
145.02939	4.1
146.03511	1.3
147.04491	2.0
150.03134	2.7
151.03986	2.4
152.99466	13.0
153.05547	1.9
158.03673	3.3
159.04568	2.0
161.02400	3.8
161.04446	11.3
161.05640	1.2
165.05460	11.8
165.12755	29.1
166.13139	2.3
167.14406	2.0
171.00636	2.1
171.10179	6.0
172.05267	4.1
173.05988	6.5
173.09723	2.1
174.03108	7.7
174.06883	3.0
175.03928	1.5
175.07646	1.7
179.03423	29.6
179.04883	2.0
180.03859	1.9
183.13831	71.5
184.14255	5.4
186.06892	2.5
187.03940	8.1
187.07584	8.1
197.04497	83.7
197.15332	7.0
198.04938	3.7
200.03105	1.3
200.04837	5.6
201.05528	22.7
201.09232	4.5
202.06310	15.2
203.07062	10.3
207.13928	3.2
209.11786	13.8
211.13496	4.2
215.05420	1.6
225.15007	7.8
227.12842	100.0
228.07913	1.6
228.13197	6.2
229.08652	21.7
229.14362	2.0
230.09439	39.3
241.14526	1.6
246.09041	3.0
247.09694	9.4
251.13116	2.7
269.13953	13.0
299.15036	8.0
327.21805	7.2
329.16061	33.0
329.19800	1.8
330.16492	2.9
389.18216	23.7
390.18866	2.6
537.24908	4.0
555.25452	55.8
556.25024	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19946	0.5
57.03305	1.8
57.91586	0.6
59.00990	0.8
59.01249	8.5
61.98702	7.5
71.01254	13.3
72.99180	79.2
73.02818	1.1
73.99514	1.0
78.95773	4.7
81.66394	0.6
85.02826	11.8
87.00759	1.7
88.98655	0.7
89.02323	5.2
93.03306	0.8
95.01266	5.4
96.95904	0.8
98.19768	1.3
101.02301	1.7
104.73459	0.6
107.04900	1.8
109.02834	2.3
112.36852	0.6
113.02335	24.6
114.16632	0.6
117.01769	0.7
117.03357	2.2
118.03677	1.0
119.03364	1.3
119.04929	1.0
121.02848	1.4
121.83501	0.6
123.00784	4.5
123.04411	23.9
124.04755	1.3
129.06956	0.6
133.02832	0.7
134.03647	2.9
135.04420	45.4
136.04762	2.4
137.05936	0.6
138.03134	5.4
143.03383	1.6
145.02869	6.3
146.03163	3.5
147.03416	0.9
149.02507	1.1
150.03113	2.6
151.03915	3.5
152.99498	4.4
153.05545	1.6
158.03683	1.1
159.04417	1.4
161.02388	1.3
161.04480	5.2
163.03859	0.9
163.06268	0.6
163.07538	0.7
165.05476	1.4
166.99767	2.0
171.10207	3.6
172.05196	2.5
173.05969	2.5
173.09683	1.0
174.03159	3.0
174.06889	0.8
175.03819	0.7
175.07494	1.0
179.03427	40.2
180.03778	2.2
182.02136	7.6
183.13823	2.2
186.06757	1.0
187.03925	3.5
187.07550	3.4
197.04495	100.0
198.04816	5.8
200.04713	2.6
201.05508	11.7
201.09152	2.4
202.06296	6.7
203.07089	6.4
205.15012	0.6
209.11725	1.1
211.13385	1.5
213.14999	1.7
215.05449	1.0
218.57246	0.6
227.12880	1.8
229.08636	10.6
229.14542	0.9
230.09424	16.1
239.05579	1.4
246.08875	1.0
247.09712	5.4
279.62872	0.6
327.21750	3.5
341.08801	2.0
359.09836	4.6
501.30435	0.7
537.24969	1.1
555.24689	74.2
556.25189	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	555.2574
Annotation	Roridin E acetate
Peak:m/z	Relative Intensity
53.73159	0.5
57.03320	1.8
59.01249	3.3
61.98697	4.3
66.90682	0.5
69.03316	1.5
69.34691	4.0
71.01263	2.8
72.99211	0.5
73.02823	0.6
73.07311	0.5
75.00745	0.6
78.95776	32.5
80.99770	0.5
83.04875	0.6
85.02823	8.7
89.02320	1.5
95.04927	0.7
96.68801	0.5
96.96819	2.9
97.02837	0.9
97.06460	3.2
101.02312	1.1
113.02322	2.2
119.04887	0.7
123.04395	0.6
125.09593	1.0
127.11188	1.5
133.02861	1.6
135.04422	1.5
137.02333	0.8
137.09613	2.1
145.02879	0.8
150.03201	0.7
150.97955	1.1
152.99486	40.4
153.99779	0.6
155.10739	0.6
161.02364	4.8
163.03825	0.6
165.12761	0.8
171.00537	4.5
171.10168	22.1
172.10518	1.2
175.03998	1.0
177.12798	0.7
181.12360	0.6
183.13820	3.5
185.11787	0.9
193.12222	0.6
197.11716	1.0
201.11230	1.2
203.10786	0.6
209.11792	1.6
211.13348	16.3
212.13661	1.1
221.11737	3.3
227.03194	3.4
229.14410	10.8
230.14825	0.6
239.12920	1.3
245.04364	1.5
255.02975	1.3
284.03165	0.8
287.96976	0.5
291.19580	1.9
327.21732	31.3
328.22049	3.5
379.08151	1.5
463.21179	2.5
555.25818	100.0
556.18524	1.0
556.26282	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56316	0.9
55.01759	2.5
57.03328	1.6
58.00451	0.9
59.01256	28.1
61.98715	4.6
65.14134	0.9
69.03336	1.2
69.58167	5.4
71.01257	33.2
72.01608	1.1
72.79532	0.8
72.99184	3.6
73.02824	10.5
75.00807	1.3
80.31753	0.9
82.14269	0.9
83.01266	5.9
85.02823	17.4
85.99991	0.8
86.49195	0.8
87.00757	4.1
87.04417	1.3
89.02326	10.1
95.01273	3.5
99.00770	6.0
101.01701	1.9
101.02329	28.7
102.02675	1.3
111.00777	3.3
113.02330	18.0
119.03435	2.6
123.04383	1.8
125.02329	1.6
129.01845	1.5
130.83089	0.9
131.03426	1.4
135.04451	1.4
137.02370	1.3
141.01884	1.5
145.02843	1.0
149.02390	1.4
150.03102	1.9
152.01044	1.3
159.02922	4.6
161.02341	3.1
161.04460	10.1
167.03430	1.6
174.03035	1.2
175.03833	1.2
175.07722	0.9
177.01955	1.1
179.03421	2.1
184.26155	0.8
193.04951	1.7
202.06258	1.3
203.07077	1.9
225.05243	1.0
229.08728	1.6
231.15924	5.1
247.09714	2.6
253.04825	1.8
285.04080	1.1
333.19159	7.4
341.10751	2.1
373.70087	1.0
375.19681	1.1
377.10599	1.0
458.36557	1.0
495.24475	100.0
496.24884	13.2
546.68036	0.9
555.27393	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	555.2842
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
52.37711	0.6
54.33139	0.5
61.62329	0.6
63.96087	0.8
67.66915	0.6
70.01617	1.5
71.01251	7.1
72.99164	0.6
73.02824	1.3
76.01628	0.6
78.98466	5.4
79.95606	8.9
80.96391	58.5
81.96358	0.5
84.70755	0.5
85.02816	2.4
87.00749	1.8
92.15214	0.5
94.97963	12.7
96.95858	1.1
98.19843	0.6
101.02326	1.5
106.97961	2.7
107.50542	0.5
122.97482	2.9
125.02331	2.4
134.97452	4.1
136.99030	1.2
148.99026	4.7
152.98587	4.0
164.98544	7.8
206.99651	1.6
225.00700	10.3
255.23206	1.7
299.04446	1.9
547.89069	0.5
555.28424	100.0
556.28796	16.7
556.36322	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
71.51629	0.9
78.95796	0.7
123.28525	0.6
151.49374	0.5
167.01089	0.8
242.76962	0.6
297.02960	0.6
344.89163	0.6
471.34836	8.2
472.35019	2.3
474.35010	0.7
556.32550	52.2
557.32819	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	556.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96176	0.4
61.98705	100.0
71.43408	0.7
74.11888	0.4
80.96371	0.6
82.95959	0.7
147.82780	0.5
269.21320	0.8
287.22281	3.2
455.36758	0.5
471.34778	10.5
472.35007	2.3
474.35773	0.8
556.32635	59.2
557.32977	11.1
557.44141	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.7
57.03323	3.3
58.00467	1.0
59.00956	1.1
59.01250	21.1
61.98702	53.1
65.00193	0.9
67.01740	0.9
68.53977	0.6
68.99682	1.6
69.23690	4.7
71.01254	21.6
72.01553	0.7
72.99164	3.3
73.02808	2.9
75.00742	5.1
76.93060	0.7
78.95779	4.1
81.03375	0.8
83.01250	2.8
84.02026	1.1
85.02824	31.6
86.03144	1.1
87.00733	4.8
87.82682	0.6
89.02318	5.0
93.03305	1.0
95.01257	9.4
96.95886	0.7
97.02812	0.8
98.20203	3.0
98.20663	0.7
99.00755	10.1
101.02320	3.2
103.00263	3.0
106.95565	0.6
107.01270	2.4
109.02819	0.7
111.00761	1.3
113.02330	59.1
114.02650	3.1
115.00252	1.9
115.05383	1.2
117.01823	2.5
117.03348	7.1
119.03506	0.8
119.04917	13.6
123.04382	0.7
125.02361	0.8
129.01805	2.0
131.04861	0.6
133.02831	2.1
133.06445	1.3
134.03645	2.3
135.04402	2.0
137.02342	1.0
139.00241	1.2
143.03445	1.6
143.04915	14.4
144.05257	0.7
145.02853	23.0
146.03465	0.9
151.00319	3.9
152.99525	2.9
157.01346	0.8
158.03621	0.6
159.04355	1.8
161.02339	1.8
161.04494	3.3
161.05975	8.3
163.02686	1.0
163.03931	9.3
171.00539	0.7
171.10161	2.1
172.05136	0.8
172.10411	0.5
173.05945	0.9
175.02382	9.6
175.03777	1.1
177.01848	1.1
177.05484	0.8
179.03429	1.4
179.05559	1.0
179.07028	1.3
183.04478	1.4
187.03914	14.9
187.07550	2.7
188.04349	1.2
188.07870	1.1
200.04761	0.8
201.05501	4.9
201.09138	1.2
202.06013	3.0
203.07069	0.9
205.04988	4.4
211.03960	1.2
211.13271	1.0
219.06706	0.6
223.04202	0.7
223.06056	4.8
227.03485	2.3
229.04990	1.5
229.08476	1.2
229.14360	0.7
230.09413	6.7
231.09792	5.9
235.06120	2.0
247.06070	1.3
255.02974	63.4
256.03598	12.8
256.92551	0.7
257.04025	1.0
265.07266	1.2
267.63651	0.7
268.03738	1.4
269.04538	1.3
277.07181	2.3
279.42172	0.6
283.02469	35.1
284.03256	100.0
285.03848	18.3
286.04285	0.9
297.04053	11.9
298.04575	1.6
307.08240	8.0
311.05673	0.6
313.03494	1.8
314.04333	0.8
323.05530	0.9
326.36896	0.7
327.05075	1.8
329.06583	1.2
329.23282	2.5
339.04980	1.2
343.24677	0.9
367.10400	1.3
381.09799	76.6
382.10168	10.6
399.07071	4.7
415.06732	1.3
416.07639	0.7
459.05786	4.0
460.06384	11.7
461.06943	1.9
477.57031	0.7
557.12952	3.8
557.21472	2.3
557.29120	4.9
558.12665	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.4
57.03323	6.1
58.00465	1.0
59.01251	14.1
61.82935	0.5
61.98700	4.7
62.31790	0.5
63.02268	2.5
65.00193	9.6
69.56782	2.6
71.01252	30.6
72.99175	2.2
73.02820	1.2
75.00755	2.7
78.95773	9.2
81.03327	0.9
83.01266	5.3
84.02037	0.6
85.02825	40.3
87.00758	2.9
89.02317	8.0
93.03381	0.7
95.01271	12.6
96.95906	2.7
97.06472	0.9
99.00750	3.8
100.49909	0.6
101.02317	2.7
103.00246	0.9
103.03889	0.9
107.01274	13.9
111.00784	1.2
113.02331	79.0
114.02643	1.3
117.01780	1.0
117.03304	1.0
119.03362	0.7
119.04938	1.5
123.04387	4.8
125.02348	12.3
131.03415	1.1
134.03636	32.3
135.04425	1.3
137.02365	1.1
139.00238	0.8
143.03415	3.8
145.02840	2.0
149.02402	0.6
150.03114	1.3
151.00281	35.5
151.03911	10.1
152.00687	1.1
152.99490	9.9
153.99846	1.7
154.99866	0.9
161.02348	2.6
161.04469	31.8
162.04800	0.6
163.03954	1.0
163.06061	1.2
165.01851	0.8
167.03438	1.7
169.01326	1.1
171.00586	1.3
171.10191	5.0
172.05220	3.4
172.10539	2.6
173.05943	0.7
175.02379	2.2
178.00499	0.6
186.06763	0.9
187.03891	1.2
187.07617	2.2
195.08063	0.6
200.04771	1.3
201.09151	32.7
202.06277	2.0
202.09404	1.4
210.39470	0.7
211.13351	2.2
212.04684	1.2
212.13654	1.8
213.13942	0.7
227.03375	1.0
227.07109	2.5
229.08673	18.1
229.14450	1.0
230.09056	1.1
230.14778	1.3
231.10214	2.9
251.07089	2.5
253.08800	0.7
255.03009	1.3
255.06618	2.3
279.06519	4.3
283.02570	0.8
284.03278	1.3
292.03958	0.6
295.02481	0.9
297.04044	1.0
308.03043	3.2
309.04095	7.0
319.02469	2.0
320.03241	7.0
322.04718	0.8
324.02679	2.1
325.11163	1.0
327.21756	3.7
328.22079	5.1
329.22440	2.5
335.09235	2.9
336.09763	0.8
337.03638	1.8
338.04382	4.1
351.08682	7.4
352.09225	0.9
353.10287	6.6
354.10770	0.8
363.08728	20.5
364.09061	2.5
381.09796	100.0
382.10110	12.0
459.15216	5.2
460.15631	1.7
547.10278	0.6
556.26007	13.7
557.12994	17.2
557.26166	13.0
558.13330	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	557.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74843	0.3
55.01746	0.7
57.03325	3.5
58.57043	0.3
59.01249	9.7
61.98708	2.7
63.02263	0.6
65.00190	2.6
68.99686	0.5
69.03309	0.4
69.55302	0.9
69.55717	1.0
71.01254	21.8
72.77346	0.4
72.99174	1.5
73.02807	1.2
75.00735	1.2
81.03308	0.6
83.01255	3.1
84.02060	0.5
85.02825	21.8
86.03160	0.6
87.00763	2.2
89.02317	5.9
95.01266	9.2
96.95888	13.0
97.02821	0.5
98.19807	0.7
99.00755	2.4
101.02326	2.2
103.00232	0.6
107.01270	4.3
113.02332	55.8
114.02662	1.5
115.00225	0.5
117.01826	0.8
119.03422	0.7
119.04916	3.0
121.02834	1.3
122.03629	0.5
123.04431	4.5
124.01528	0.6
125.02346	7.0
126.02676	0.4
129.01810	0.4
131.03403	0.7
133.02852	0.8
134.03638	21.4
135.04201	0.7
137.02361	0.7
143.03406	2.9
145.02843	1.2
147.04437	0.8
149.02351	1.2
149.06015	0.4
150.03114	3.4
151.00282	14.1
151.03918	10.1
152.00772	0.7
158.03587	0.4
159.04436	0.7
161.02477	3.4
161.04463	25.6
162.04831	1.2
163.03944	3.1
163.06047	1.2
165.01849	0.7
165.05504	3.1
167.03372	1.9
172.05249	1.5
174.01643	0.4
175.02412	1.5
175.03949	1.1
177.02066	0.4
179.03406	0.8
185.05981	1.2
186.06761	0.9
187.03899	0.5
187.07489	0.6
188.04651	0.5
195.06529	0.8
196.05348	0.6
199.03940	0.4
199.07452	0.4
200.04774	1.4
200.08299	0.5
201.09203	2.0
202.06325	0.5
202.09300	0.4
203.03453	0.4
203.10858	0.3
205.04994	0.4
211.07628	1.7
213.05467	0.5
214.06322	0.5
215.03578	0.4
224.04793	1.2
225.09221	0.5
226.02647	0.4
227.03453	1.0
227.07042	0.7
229.08653	5.2
231.10349	1.2
238.06427	0.5
240.04347	0.7
248.04799	0.4
249.05464	0.5
251.03505	0.6
253.05180	0.7
253.08688	1.6
255.06624	5.1
256.07043	0.5
262.06250	0.5
264.04306	0.9
265.05145	0.7
266.05899	1.0
267.06540	0.5
277.05023	0.5
277.08624	0.8
279.06699	0.9
280.07617	0.5
281.04688	0.7
293.08237	0.5
295.09845	1.1
297.07861	0.4
305.04517	0.5
306.05453	0.8
308.03214	0.9
309.04025	5.4
309.07330	0.5
310.04593	0.6
323.05655	1.8
325.11481	0.8
334.04965	1.2
335.09326	0.6
337.07144	6.4
338.07617	0.7
347.15094	0.4
351.05417	0.7
352.05807	0.6
361.16696	1.1
363.08783	3.2
381.09802	100.0
382.10117	14.8
382.14853	0.7
423.10907	1.1
453.11765	0.7
459.15073	6.3
460.15912	1.7
477.11935	0.6
509.21878	2.0
557.04846	0.4
557.13281	12.9
557.27228	5.8
558.13336	2.0
558.26776	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48662	0.3
52.30163	0.3
52.86517	0.3
53.54102	0.3
55.01762	0.6
57.03322	0.8
58.00473	0.4
58.02342	0.3
59.01253	9.0
61.98699	1.9
71.01254	8.1
72.99200	0.8
73.02823	2.2
83.01279	1.3
85.02823	7.5
86.03175	0.6
87.00751	0.7
89.02318	3.1
95.01283	1.7
96.95884	0.7
98.01755	0.3
99.00786	0.9
101.02319	5.2
104.02617	0.3
105.03360	0.6
113.02337	13.1
114.02668	0.6
115.01775	0.4
117.03383	1.4
119.03452	0.4
123.04413	0.5
132.02034	1.6
133.02858	27.8
134.03709	4.6
135.04439	4.5
137.02304	0.4
143.03426	0.5
143.45882	0.3
145.02879	0.7
151.03976	0.8
159.02838	0.4
161.02357	100.0
161.04504	5.4
162.02693	4.9
163.03964	0.4
165.05484	0.3
171.52283	0.3
175.02428	0.4
179.03392	1.4
179.05576	0.4
197.48776	0.3
231.10269	0.3
249.13431	3.0
255.02943	0.9
381.09814	2.2
395.19189	2.2
437.17801	0.7
459.14444	0.5
547.99286	0.3
557.22296	44.7
558.22632	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	557.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.5
57.03325	5.3
59.01251	20.0
61.98716	1.3
69.03338	1.0
71.01252	41.6
71.10681	1.1
72.99189	1.6
73.02812	2.2
79.57062	1.0
83.01265	2.1
84.02042	1.6
85.02822	49.0
86.03165	1.0
87.00734	0.9
89.02312	11.1
95.01266	19.2
96.36745	0.9
99.00773	1.6
101.02318	4.4
108.57468	0.8
113.02329	83.1
114.02683	2.2
119.03363	1.3
123.04407	0.8
134.03619	3.5
143.03432	1.5
146.03566	1.4
147.04376	1.0
151.00146	0.9
151.07597	1.1
158.03658	1.7
159.04430	4.0
161.04451	3.5
161.05771	0.9
172.05200	3.2
173.06026	6.8
174.03128	1.6
175.07500	0.9
187.04044	4.0
187.07562	28.9
188.08022	1.7
201.05519	9.0
202.06299	39.3
203.06656	2.5
203.10670	1.7
209.83647	0.9
213.09122	2.2
216.07819	2.7
219.10106	1.4
231.10222	37.6
232.10587	2.0
249.11278	2.8
324.92596	0.8
381.07339	1.1
393.15497	1.0
411.16534	3.7
497.26080	0.9
539.21625	1.0
557.22357	100.0
558.22742	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	557.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	1.3
57.03324	4.0
58.00481	0.8
59.01252	15.4
60.28901	0.4
61.98705	4.0
70.15491	1.8
71.01256	36.9
72.01602	0.6
72.99196	1.5
73.02816	2.5
73.89418	0.4
75.00777	1.3
77.38811	0.4
78.95806	1.3
82.10476	0.4
83.01276	1.6
84.02052	0.9
85.02825	37.2
86.03189	1.2
87.00325	0.4
87.00743	2.4
89.02319	11.5
89.02827	0.6
95.01265	15.9
96.01608	0.6
97.02798	0.4
99.00761	1.9
101.02324	3.8
103.03907	0.8
109.02789	0.5
113.02333	100.0
114.02659	2.6
115.00277	0.4
117.01836	1.8
117.03345	0.8
119.03384	0.7
119.04868	0.5
121.02855	0.6
123.04416	3.1
125.02385	0.8
127.80816	0.4
131.03401	1.2
133.02852	6.9
134.03638	53.3
135.04332	1.7
137.02330	1.5
139.00240	0.9
142.39453	0.4
143.03398	5.6
145.02837	0.7
150.03120	1.7
151.03918	8.7
152.04218	0.6
152.99487	0.7
161.02333	26.6
161.04443	46.2
162.02667	1.4
162.04773	1.4
163.03888	1.2
163.06055	2.1
171.10158	0.9
173.05853	0.4
175.02293	0.9
179.03404	0.7
187.07536	1.1
201.05409	1.1
202.06023	1.0
203.10620	0.5
211.13329	0.8
229.14345	0.6
230.09258	0.8
231.10120	2.5
249.13254	1.1
255.02797	1.6
283.02249	0.5
309.03754	1.1
323.05469	0.9
324.06183	0.8
325.11340	1.9
329.23068	1.5
353.10254	3.1
381.09753	10.2
382.09775	1.0
395.20102	1.5
419.35629	0.4
442.23010	0.4
459.15091	6.8
460.15768	3.1
461.16660	0.6
557.12354	1.9
557.21606	13.7
558.14301	0.5
558.22137	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.2
57.03326	4.3
58.00474	0.7
59.01253	19.0
59.01539	1.2
60.99178	1.2
61.98692	3.8
67.01763	0.6
71.01254	38.7
71.04917	1.2
71.05270	0.6
72.01598	0.7
72.99184	1.2
73.02824	2.1
78.95776	0.6
79.95615	0.6
83.01256	2.2
84.02043	1.3
85.02824	48.2
86.03167	0.8
87.00748	1.8
88.98688	6.3
89.02322	11.6
93.03317	0.7
95.01267	20.5
96.95889	17.5
97.02749	0.6
99.00756	1.7
101.02322	5.1
103.03891	1.2
113.02331	100.0
113.61658	0.5
114.02653	3.1
116.92677	0.6
119.03380	1.0
119.04924	0.6
121.02842	1.2
122.03673	0.6
123.04392	4.8
124.04657	0.6
125.02375	1.2
131.03395	1.0
134.03636	26.9
135.04457	2.9
139.00206	0.7
143.03398	4.1
145.02831	0.9
147.04408	0.9
148.05159	1.3
149.02348	1.0
150.03108	2.5
151.00299	0.7
151.03912	10.2
161.02328	1.9
161.04466	33.8
162.04759	1.7
163.03896	0.8
163.06029	2.4
165.05447	0.7
167.03432	1.1
173.40561	0.6
174.06717	1.1
175.03972	0.7
179.03438	3.4
180.03770	0.7
188.04716	0.8
191.10643	1.2
202.06100	0.6
203.10721	9.7
204.11018	0.8
231.10248	8.9
303.95895	0.7
320.62207	0.6
325.11456	0.9
357.09351	0.6
381.09622	1.9
439.68210	0.6
459.09631	0.7
459.15161	7.6
460.15424	1.5
479.20706	0.6
512.23132	0.6
529.22491	2.2
539.21185	0.8
557.22101	69.5
558.14282	0.8
558.22418	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	557.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.1
57.03325	3.5
58.00465	0.6
59.00954	0.7
59.01251	13.1
61.98701	39.0
62.23264	0.4
63.02253	1.7
65.00197	4.6
69.39757	2.5
71.01251	25.9
71.45753	0.4
72.99180	1.8
73.02809	1.5
75.00747	1.7
78.95763	0.4
79.95599	3.1
80.96403	0.5
81.03332	0.7
83.01260	4.8
84.02026	1.0
85.02823	28.5
86.03154	0.9
87.00758	2.2
88.98658	1.2
89.02315	7.4
93.03334	0.7
95.01259	12.0
96.95888	100.0
99.00776	3.4
101.02328	2.3
103.00256	1.2
107.01264	7.5
108.02093	0.4
111.00764	0.5
113.02329	68.3
114.02685	1.7
115.91964	0.7
116.92730	1.5
117.01797	1.1
117.03304	0.5
119.03432	0.9
119.04917	0.8
121.02863	0.6
123.04425	5.8
124.01537	1.4
125.02336	6.0
131.03421	1.1
133.02826	1.3
134.03632	24.8
135.04335	1.3
137.02356	1.2
139.00238	0.6
141.00032	1.0
143.03375	2.7
145.02913	0.8
149.02304	0.9
150.03113	2.8
151.00284	20.5
151.03911	11.3
152.00650	0.5
152.04259	0.7
155.10724	0.7
158.86430	0.4
161.02354	1.8
161.04463	25.3
162.04793	1.1
163.03868	0.7
163.06012	1.3
165.01794	0.8
165.05435	0.7
167.03412	3.1
169.01305	0.8
172.05219	1.0
173.05945	0.9
174.01614	1.2
175.02431	3.3
175.03860	0.8
177.02010	0.6
179.03406	0.7
180.36954	0.5
185.06024	1.2
186.06767	2.8
187.03888	0.5
196.05295	0.8
198.03229	0.6
201.09125	4.6
204.56062	0.4
211.07549	2.6
213.05511	0.7
224.04810	1.0
226.02679	0.9
229.08679	5.9
230.08969	0.7
231.10225	1.6
240.04272	0.5
251.07185	0.6
253.08627	1.0
255.06586	4.5
256.07050	0.4
264.04233	0.5
265.04773	0.5
266.05878	1.0
276.87842	0.5
279.06586	1.6
293.08228	1.0
295.09729	0.6
306.05283	0.8
308.03265	0.8
309.04047	7.1
310.04425	0.8
324.06201	0.5
325.11499	0.8
334.04758	1.0
337.07233	2.0
338.07355	0.8
363.08798	6.2
364.08926	0.8
381.09781	83.0
382.10159	13.0
382.14355	0.3
459.15146	7.7
460.15738	1.6
497.19284	0.5
557.13629	13.4
557.26556	46.2
558.13989	2.8
558.27271	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	557.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.1
57.03325	3.5
58.00465	0.6
59.00954	0.7
59.01251	13.1
61.98701	39.0
62.23264	0.4
63.02253	1.7
65.00197	4.6
69.39757	2.5
71.01251	25.9
71.45753	0.4
72.99180	1.8
73.02809	1.5
75.00747	1.7
78.95763	0.4
79.95599	3.1
80.96403	0.5
81.03332	0.7
83.01260	4.8
84.02026	1.0
85.02823	28.5
86.03154	0.9
87.00758	2.2
88.98658	1.2
89.02315	7.4
93.03334	0.7
95.01259	12.0
96.95888	100.0
99.00776	3.4
101.02328	2.3
103.00256	1.2
107.01264	7.5
108.02093	0.4
111.00764	0.5
113.02329	68.3
114.02685	1.7
115.91964	0.7
116.92730	1.5
117.01797	1.1
117.03304	0.5
119.03432	0.9
119.04917	0.8
121.02863	0.6
123.04425	5.8
124.01537	1.4
125.02336	6.0
131.03421	1.1
133.02826	1.3
134.03632	24.8
135.04335	1.3
137.02356	1.2
139.00238	0.6
141.00032	1.0
143.03375	2.7
145.02913	0.8
149.02304	0.9
150.03113	2.8
151.00284	20.5
151.03911	11.3
152.00650	0.5
152.04259	0.7
155.10724	0.7
158.86430	0.4
161.02354	1.8
161.04463	25.3
162.04793	1.1
163.03868	0.7
163.06012	1.3
165.01794	0.8
165.05435	0.7
167.03412	3.1
169.01305	0.8
172.05219	1.0
173.05945	0.9
174.01614	1.2
175.02431	3.3
175.03860	0.8
177.02010	0.6
179.03406	0.7
180.36954	0.5
185.06024	1.2
186.06767	2.8
187.03888	0.5
196.05295	0.8
198.03229	0.6
201.09125	4.6
204.56062	0.4
211.07549	2.6
213.05511	0.7
224.04810	1.0
226.02679	0.9
229.08679	5.9
230.08969	0.7
231.10225	1.6
240.04272	0.5
251.07185	0.6
253.08627	1.0
255.06586	4.5
256.07050	0.4
264.04233	0.5
265.04773	0.5
266.05878	1.0
276.87842	0.5
279.06586	1.6
293.08228	1.0
295.09729	0.6
306.05283	0.8
308.03265	0.8
309.04047	7.1
310.04425	0.8
324.06201	0.5
325.11499	0.8
334.04758	1.0
337.07233	2.0
338.07355	0.8
363.08798	6.2
364.08926	0.8
381.09781	83.0
382.10159	13.0
382.14355	0.3
459.15146	7.7
460.15738	1.6
497.19284	0.5
557.13629	13.4
557.26556	46.2
558.13989	2.8
558.27271	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	557.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.7
58.00465	0.4
59.01254	3.9
61.11018	0.4
61.98708	3.1
62.96272	0.5
69.99687	0.4
71.01239	2.8
71.04934	0.5
72.99178	0.8
76.32349	0.4
78.95774	30.9
84.02032	0.5
85.02819	3.3
86.03222	0.4
89.02321	0.8
95.01268	0.9
96.96847	3.2
97.06443	0.6
99.00745	0.6
99.08037	5.7
101.02314	1.4
110.59158	0.4
113.02316	4.8
125.09640	1.0
127.11183	4.4
128.47676	0.4
133.02858	3.8
135.04430	1.0
137.09578	0.5
139.11183	10.1
140.11545	0.6
150.97914	0.7
151.07584	0.4
152.99492	44.1
153.99873	0.6
155.10658	0.9
155.14349	0.5
157.12292	1.6
161.02353	11.1
161.04437	0.8
167.14307	1.0
171.00546	5.0
171.10181	40.4
172.10573	2.0
179.03349	0.4
183.13811	3.5
187.07558	0.5
193.12198	1.0
201.05447	0.5
209.11731	1.3
211.13339	19.0
212.13748	1.5
213.11429	0.6
217.70116	0.5
227.03230	3.5
229.14392	12.8
230.09369	0.8
230.14819	0.8
231.10027	0.5
245.04350	1.5
253.31335	0.4
255.02931	1.3
283.02585	0.4
293.21329	1.8
311.22253	0.9
329.23315	37.9
330.23679	4.0
381.09857	2.2
465.22849	1.9
557.27496	100.0
558.27747	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	557.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87545	0.5
55.01789	0.5
56.22345	0.4
57.03320	1.5
59.01251	5.4
61.33769	0.4
61.98699	3.6
62.41390	0.4
69.49947	0.5
70.38222	1.5
70.38583	0.6
71.01247	3.0
72.99194	0.5
73.02831	0.6
78.95776	36.4
83.04909	0.9
85.02822	2.8
89.02314	1.6
95.01274	1.0
96.95926	0.7
96.96850	2.5
97.06460	0.8
99.00742	0.6
99.08032	5.3
101.02316	1.2
113.02341	5.8
119.04943	0.9
123.04457	0.8
125.09617	1.8
127.11205	3.2
129.09064	0.6
133.02802	0.5
139.11191	2.9
150.97957	1.0
151.03894	1.2
152.99489	48.2
153.99838	0.6
155.10678	1.0
155.14311	1.3
161.02365	2.0
161.04488	0.9
165.12794	0.6
167.14342	1.9
169.86148	0.5
171.00526	3.8
171.10162	12.6
179.03401	0.5
183.13863	5.6
193.12250	2.2
199.13309	1.1
202.05986	0.7
208.51811	0.5
209.11757	1.7
211.13326	34.2
212.13678	2.4
227.03226	3.0
229.14412	20.0
230.09152	0.8
230.14769	1.6
231.09962	0.6
245.04276	1.8
255.02837	3.1
283.02557	1.2
293.08505	0.5
293.21213	1.5
309.52328	0.5
311.22278	1.4
329.23315	36.1
330.23770	3.7
335.22318	5.1
336.22760	0.8
381.09760	3.8
382.10095	0.7
465.22592	1.8
557.27350	100.0
558.27753	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	557.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86240	0.1
54.47323	0.1
59.01250	0.7
61.98701	100.0
62.98396	0.2
77.49927	0.1
77.87374	0.1
78.95771	0.9
96.95923	0.2
113.02311	0.2
115.74913	0.1
152.99495	0.4
167.01028	0.3
207.00427	0.1
255.23201	1.9
256.23621	1.3
257.23862	0.6
258.24158	0.4
269.21295	0.2
278.25455	0.1
287.22220	1.6
288.22656	0.2
480.30896	1.0
481.31244	0.4
482.31595	0.3
483.31805	1.2
557.32220	0.2
557.36078	0.2
557.44257	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74904	0.1
57.03332	0.2
59.01248	2.2
60.71105	0.1
61.98703	100.0
62.98407	0.3
71.01259	1.7
72.99194	0.3
73.02818	0.4
75.00745	0.3
75.29798	0.2
83.01291	0.2
85.02827	1.4
86.03181	0.3
87.00774	0.3
89.02332	0.6
93.03362	0.5
95.00715	0.1
95.01244	0.7
99.00763	0.4
101.01756	0.2
101.02347	0.6
108.02114	0.2
109.02867	0.2
113.02344	2.8
114.02686	0.4
115.00294	0.2
117.03393	0.6
118.03648	0.2
119.03403	0.2
119.04942	0.5
129.01927	0.2
133.02850	0.2
134.03671	0.2
135.04456	0.3
137.02362	0.5
145.02856	2.1
146.03204	0.2
152.01103	0.3
152.99469	0.2
161.02396	0.3
161.04523	0.4
163.03932	0.4
167.03450	0.4
174.01512	0.3
175.02377	0.4
179.03452	0.3
201.05528	0.2
202.06104	0.2
214.02818	0.2
230.09570	0.4
231.09926	0.1
232.10088	0.2
242.02322	0.3
245.00980	0.2
255.02975	1.4
255.67949	0.1
256.03296	1.2
270.01758	0.4
271.02573	0.7
283.02637	0.4
284.03009	0.5
285.03830	0.5
298.01221	0.3
299.01956	0.6
300.21143	0.1
329.23727	0.3
330.23962	0.1
381.10007	0.7
382.10178	1.8
396.08667	0.4
397.22372	0.2
468.18973	0.2
517.34204	0.2
557.29657	0.4
558.23047	0.3
558.30334	0.3
559.14948	1.8
559.26172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
57.03320	0.3
57.68741	0.4
59.01239	0.8
68.55170	0.3
69.03322	1.4
70.67626	0.7
71.01254	1.3
72.99170	0.5
73.02823	0.4
79.05393	0.8
80.76462	0.3
81.03328	1.1
83.01295	0.3
83.04887	2.1
84.02039	10.5
85.02843	1.0
87.04359	0.3
89.02298	0.4
93.03341	1.1
93.68442	0.3
95.01253	0.4
95.04902	6.7
97.02856	0.6
97.06470	10.1
99.00758	0.5
101.02320	0.4
107.04909	18.3
108.05262	0.9
109.02872	0.3
109.06464	0.9
110.03622	2.1
111.04407	0.4
113.02332	0.6
119.04904	2.0
122.03625	0.5
123.04411	0.8
125.05980	35.6
126.06331	1.2
137.05986	5.0
143.06995	0.4
145.01389	0.5
151.03920	0.8
153.05490	0.3
155.07039	2.0
157.01372	0.5
157.02844	0.3
169.05011	0.4
179.05481	0.4
187.05966	0.4
187.36217	0.4
199.06038	0.5
217.07123	100.0
218.07494	4.7
356.21255	0.4
356.96356	0.4
442.50552	0.4
493.58163	0.3
541.59271	0.4
559.16534	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64662	0.4
52.36300	0.4
53.48423	0.6
57.03309	1.2
59.01250	7.6
59.03739	0.4
61.98703	13.8
63.96112	0.9
69.03323	0.7
71.01250	12.3
71.51984	0.8
72.99173	1.7
73.02811	4.2
75.00758	0.6
78.95760	0.4
78.98473	5.4
79.95606	7.6
80.91540	0.6
80.96391	55.8
81.03311	1.4
82.63081	0.4
83.01260	2.9
85.02826	4.1
87.00755	4.6
89.02317	4.1
91.00191	0.6
91.23215	0.4
93.03274	0.4
94.97962	12.8
95.01257	1.2
96.95879	2.1
97.02821	1.3
99.00751	7.8
99.04343	0.5
101.02317	7.2
106.97939	2.4
113.02319	3.6
118.74195	0.5
119.03374	1.3
122.97462	2.3
123.04391	0.6
125.02332	4.3
127.00262	1.2
127.03902	0.9
131.03404	1.1
133.02925	0.7
134.97478	4.9
136.84198	0.4
136.99062	1.1
137.02327	0.7
143.03441	0.7
145.02866	0.7
148.99025	4.8
149.04488	2.5
152.98528	5.0
161.02347	0.5
161.04486	1.4
164.98538	11.2
187.02385	0.6
191.05524	2.3
197.04605	0.5
203.05519	0.9
206.99644	2.3
209.11780	2.3
225.00688	16.6
226.00999	0.7
233.06580	0.7
237.11157	0.5
269.04453	0.6
299.04581	2.9
326.68829	0.5
337.00531	0.6
527.17889	3.1
528.18823	0.5
559.20605	100.0
560.20911	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	559.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82972	0.3
54.86265	0.3
57.03319	0.8
59.01252	4.4
61.98700	34.7
63.96099	0.7
69.03347	0.6
71.01251	9.3
71.04861	0.3
71.88043	0.3
72.99180	0.9
73.02814	2.5
73.83351	0.3
75.00731	0.4
78.95793	0.5
78.98458	4.4
79.95601	7.7
80.91563	0.4
80.96388	53.3
81.03321	1.2
83.01226	1.8
83.04879	0.5
85.02821	4.7
87.00740	3.1
89.02324	4.0
91.02757	0.3
94.08270	0.4
94.97961	11.9
95.01246	0.7
96.95889	2.1
97.02831	1.7
99.00745	3.1
99.04402	0.8
101.02319	5.5
106.97969	2.4
109.02825	0.8
113.02312	2.6
117.03352	0.7
119.03342	0.5
119.04988	0.7
120.99513	0.4
121.11018	0.3
122.97459	2.4
125.02334	6.5
125.03236	0.4
127.00274	0.7
127.03883	0.6
131.03349	0.4
132.78561	0.4
134.97473	4.1
135.04417	2.2
135.92410	0.3
136.99054	1.2
143.03395	0.9
145.02847	1.9
146.03204	0.4
148.99026	4.2
149.04460	1.0
151.03922	0.4
152.98524	4.9
161.02431	0.5
161.04498	0.8
163.03879	1.3
164.98541	10.3
167.61588	0.3
174.19563	0.3
177.01895	0.5
179.05420	0.4
187.02423	1.6
191.05547	0.4
196.92175	0.4
206.99702	2.1
207.02972	2.1
209.11780	2.9
216.46008	0.4
225.00700	16.0
226.01195	0.5
269.04446	0.9
299.04465	2.2
307.08337	0.5
382.04837	0.4
451.90317	0.4
462.05643	0.4
498.10495	0.4
527.18274	2.5
528.17847	0.3
559.20624	100.0
560.20935	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	559.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07043	1.0
58.00459	1.3
59.01255	14.1
59.03804	1.3
61.98702	6.8
71.01249	2.6
71.04879	2.5
71.52172	1.1
73.02802	1.6
78.95779	3.1
83.04842	1.3
96.95877	3.1
106.95680	1.0
111.08044	2.5
113.02280	1.1
152.99460	2.1
161.02368	1.4
173.08002	1.0
197.11816	1.9
210.75194	1.1
241.00793	1.3
249.40865	1.2
253.09317	1.9
276.38416	1.4
323.22244	4.5
455.31586	4.1
467.31296	1.4
469.33356	6.5
470.33734	1.4
485.32718	17.8
486.33084	3.2
487.34302	100.0
488.34686	15.9
531.33331	7.2
532.34094	2.1
559.32764	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	559.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	3.2
59.01251	6.1
61.98704	2.9
68.15580	0.8
71.01276	1.3
71.04883	4.0
74.36854	0.7
76.18709	0.7
78.95793	1.7
83.04893	2.1
96.95891	1.5
98.19824	1.5
98.73957	0.9
101.02323	1.4
111.08007	0.9
132.18027	0.8
211.13458	0.8
253.09288	2.9
285.18732	1.0
291.19693	2.0
323.22253	14.1
395.29700	1.4
415.82019	0.8
425.30609	1.3
427.32214	1.4
455.31500	2.6
469.33276	6.1
485.32733	22.2
485.39380	1.6
486.33020	3.5
487.34293	100.0
488.34598	16.1
499.30927	1.1
531.33368	8.0
532.33740	1.5
559.33490	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80600	0.7
55.01748	1.5
57.03318	1.1
58.00470	3.3
59.01249	64.2
59.52270	0.6
60.01577	0.9
60.99172	0.7
61.98701	3.9
68.99689	2.4
71.01252	46.2
71.51732	0.8
72.10296	0.6
72.99165	5.2
73.02815	5.7
75.00745	1.4
79.05380	1.5
83.01261	3.8
85.02819	9.9
87.00757	2.6
88.98690	1.9
89.02319	46.9
91.01780	1.1
91.05409	5.3
93.03333	10.3
93.83430	0.7
95.01263	2.9
95.04897	3.3
96.95899	0.8
99.00732	2.0
101.02320	29.1
103.05400	2.4
105.03345	7.5
107.04906	2.9
108.02029	1.7
109.02840	4.0
111.00791	1.2
113.02332	18.4
117.03337	2.1
119.01299	0.9
119.03394	24.0
119.04850	6.2
121.02843	15.4
123.04433	8.8
123.59081	0.7
125.02335	1.1
129.03336	0.8
131.03395	2.4
133.02834	4.9
134.03630	1.4
135.04424	4.5
136.01503	0.9
137.02370	3.2
137.05937	1.2
143.03386	3.3
145.02866	4.6
147.04417	96.3
148.04723	5.9
149.02350	12.2
149.04465	2.9
149.05908	3.5
150.03098	2.2
151.03903	9.0
160.01604	0.8
161.02391	4.8
161.04451	6.2
162.03096	1.8
163.03886	2.8
165.01808	5.4
165.05492	1.3
175.03882	1.2
177.01894	4.9
177.05473	1.0
178.02724	0.9
179.03415	100.0
179.05467	6.1
180.03784	4.9
180.83728	0.7
183.10201	0.8
191.03377	4.9
193.04926	1.2
196.63010	0.7
208.03607	1.0
209.02484	1.0
209.04485	19.6
293.51376	0.6
327.08710	1.9
337.41113	0.6
339.12534	1.0
351.10562	1.4
357.09781	9.5
358.09979	0.8
360.86505	0.7
404.05945	0.7
561.15668	1.2
561.29187	15.3
562.16266	1.1
562.30096	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.4
59.01253	4.3
69.45488	0.5
69.45898	1.6
71.01258	4.2
72.99207	0.4
73.02817	2.2
75.04672	0.3
80.96395	0.5
85.02816	4.1
87.00739	1.8
89.02314	1.4
90.00849	0.3
97.02834	0.6
99.00739	1.0
101.02328	3.2
103.03902	0.6
104.08190	0.3
105.03352	0.7
111.00757	1.2
113.02320	3.4
117.03352	1.2
120.29651	0.3
131.03371	2.4
132.02069	1.3
133.02850	25.4
134.03232	1.3
135.04430	3.6
137.02301	0.6
149.02414	0.3
159.03001	0.5
161.02353	100.0
162.02692	4.4
171.16971	0.4
173.04475	1.4
178.02538	0.3
178.12387	0.3
179.03481	1.6
179.05016	0.3
186.44583	0.3
193.01318	0.5
201.15225	0.3
209.00929	0.3
209.23126	0.4
217.51250	0.3
221.06667	1.0
295.85767	0.3
320.25516	0.3
367.12610	2.3
370.95523	0.3
529.15625	35.7
530.15881	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	561.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65705	0.1
55.01755	0.4
55.95568	0.1
57.03321	0.5
58.00471	0.3
59.01248	6.0
61.98699	0.4
69.42755	0.1
71.01250	5.0
72.99175	0.2
73.02821	1.8
78.38398	0.1
83.01259	0.9
83.46886	0.1
85.02824	3.5
87.00750	0.3
89.02313	2.1
89.03862	0.1
93.03331	1.7
95.01271	0.5
95.24951	0.1
97.02824	0.2
98.20564	0.3
99.00748	0.9
101.02319	3.9
101.16982	0.1
103.03890	0.2
109.02835	0.2
111.00778	0.1
113.02329	2.6
117.03345	23.1
118.03648	1.0
119.03474	0.6
119.04913	4.2
119.05741	0.3
125.02365	0.2
127.03889	0.2
129.01810	0.2
132.02086	0.3
134.03629	0.5
137.02335	3.5
137.03320	0.2
143.03421	0.3
145.02852	100.0
146.03189	5.1
147.04440	0.1
149.04501	0.1
159.02913	0.3
160.01585	1.2
160.62210	0.1
161.04478	1.7
163.03917	5.5
163.06039	0.2
163.71263	0.1
164.04259	0.2
175.03926	1.2
179.05534	0.5
193.04958	0.6
196.81917	0.1
205.04974	0.1
221.06607	0.2
229.68358	0.1
235.06120	0.6
265.07153	0.2
269.10291	2.0
270.10709	0.1
295.08240	0.3
337.09125	0.2
415.16101	2.6
416.15997	0.3
517.20404	0.2
561.19781	11.7
561.28802	1.3
562.20026	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	561.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56028	0.4
53.66229	0.4
55.01748	1.6
57.03317	1.5
57.58128	0.4
58.00461	1.6
59.01252	33.8
60.01591	0.7
61.98695	3.4
69.03313	0.7
69.38574	2.0
71.01254	29.8
72.01575	0.5
72.99179	2.8
73.02821	4.2
75.00732	0.4
81.03328	1.2
83.01268	2.7
83.04928	0.5
84.02039	0.5
84.53049	0.3
85.02822	10.8
87.00744	2.2
89.02318	28.2
93.03336	1.1
95.01268	3.7
95.02293	0.4
97.02852	0.6
99.00767	1.8
101.02322	19.3
104.50960	0.4
107.04910	0.5
108.02055	38.0
109.02852	24.3
110.03204	0.6
111.00771	0.6
111.04417	0.6
113.02329	13.0
117.03332	0.5
119.02578	0.8
119.03394	12.6
119.04796	0.9
121.02837	1.3
123.00775	1.5
123.04443	0.7
125.02348	1.0
125.05968	1.1
129.01839	0.4
129.10440	0.4
131.03397	2.1
133.02820	0.7
135.00748	0.4
135.04454	1.3
136.05225	1.0
137.02338	14.7
139.07555	0.9
143.03424	2.7
145.02863	2.7
149.04466	1.3
151.03909	1.5
151.07547	0.7
152.01060	51.6
153.01857	16.0
153.05482	0.5
154.02295	0.6
159.02907	1.3
160.01524	0.6
161.02400	0.9
161.04472	5.8
161.05826	0.7
163.03882	1.7
163.07530	0.9
165.01849	1.2
175.03967	0.8
177.01862	0.6
179.03439	0.8
179.05531	4.6
180.05898	0.5
185.09729	0.4
201.12758	3.1
203.10614	0.9
204.11513	0.8
217.12402	0.6
219.13882	3.1
221.06607	1.1
225.04057	0.4
230.09431	1.4
245.11815	1.3
263.12964	1.0
284.03583	0.5
297.06323	0.5
315.07199	8.5
320.51697	0.4
399.23996	3.1
474.76215	0.4
497.96640	0.4
498.99963	0.4
560.28247	1.1
561.19836	100.0
561.28857	15.6
562.20160	15.8
562.29291	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	561.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82368	0.9
55.01740	1.0
57.03306	1.2
58.19073	1.1
58.23930	1.1
59.01252	100.0
60.01566	1.4
61.98696	2.0
65.00185	3.5
69.03320	2.1
71.01251	42.2
72.99177	3.0
73.02819	58.2
75.00743	4.4
83.01255	22.2
85.02819	6.4
87.00751	1.8
89.02322	8.9
93.03334	3.4
95.01265	2.6
96.95915	2.5
96.96777	1.0
98.20663	1.8
99.00745	1.7
101.02325	54.7
102.02658	1.3
103.00230	1.3
105.39746	0.9
107.01276	5.2
108.02066	5.8
109.02810	1.6
113.02342	16.2
119.03397	5.3
119.04924	12.6
120.62055	1.0
121.02853	3.3
122.03587	1.2
123.04411	6.0
125.02332	5.6
127.00272	3.5
131.03406	5.1
134.03653	1.9
135.04454	1.2
136.01566	39.5
137.02284	2.3
143.03387	5.3
145.02855	2.4
149.04463	7.8
150.99132	1.6
151.00287	17.6
151.03917	50.1
152.04199	1.6
154.39053	1.0
155.03378	1.2
160.01552	1.2
160.05182	2.0
161.02449	1.5
161.04466	14.1
161.05888	1.5
163.03821	1.7
169.01350	1.2
175.03955	1.8
175.07576	1.1
177.01927	2.3
183.85994	1.1
187.03937	3.4
188.04637	2.7
203.05440	1.8
203.07091	5.2
221.06549	3.1
232.65689	1.2
233.06152	1.2
251.07140	1.4
261.05417	1.9
263.07053	3.2
271.06134	34.1
272.06378	3.2
279.06693	5.0
281.08307	1.4
289.05527	2.4
291.06470	2.2
293.08087	1.5
294.08963	3.1
306.08890	1.3
309.07687	3.3
309.11319	9.5
311.12943	1.2
321.11121	1.1
324.10074	1.4
339.12384	12.0
340.12729	1.3
342.10904	2.5
357.13440	41.9
358.13596	4.4
381.13364	1.9
493.24701	1.2
543.18616	1.4
561.12518	9.5
561.22229	3.3
562.12860	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	561.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.7
57.03311	1.9
58.00460	2.7
58.78584	1.0
59.01253	48.0
60.01591	1.1
61.98693	6.6
71.01254	35.1
71.51316	0.9
71.51727	1.7
72.99178	3.5
73.02812	5.9
75.00752	1.0
82.23800	0.9
83.01260	2.3
85.02822	11.8
87.00748	3.9
89.02309	35.4
93.03336	1.3
95.01250	2.9
97.02842	2.0
97.24831	0.9
99.00763	3.2
101.02321	24.7
111.00768	1.9
111.48029	1.3
113.02335	14.9
114.74129	0.9
117.03345	3.8
119.03398	15.0
119.04819	1.9
131.03423	2.6
132.02066	22.8
132.02995	1.9
133.02824	3.7
134.03632	38.2
134.04665	2.3
135.03993	0.9
137.02342	1.9
143.03401	2.3
145.02863	7.7
147.04411	2.9
148.05194	1.1
149.04518	1.1
149.06001	5.2
151.03894	1.1
153.09111	1.3
159.02986	1.4
160.01570	92.2
161.01955	5.2
161.04430	6.8
163.03922	2.6
171.10153	1.1
173.05957	1.9
175.03922	100.0
176.04573	8.4
176.08414	1.4
177.01868	2.0
178.02574	2.5
178.09900	1.1
179.03304	1.0
179.05563	5.1
187.11191	3.9
189.09222	1.2
190.09933	1.1
191.07065	10.8
193.04987	54.7
194.05324	3.7
205.12378	5.8
207.06586	3.9
209.11755	1.1
235.06078	40.8
236.06456	3.7
265.07147	16.6
295.08212	22.7
325.20020	1.7
337.09424	2.4
355.10349	2.0
399.23871	6.3
501.30020	1.4
561.23132	34.1
561.29297	31.6
562.22211	6.0
562.30054	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	561.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.0
57.03327	2.2
58.00468	5.5
59.01250	100.0
60.01577	1.4
61.98700	1.4
69.34611	2.9
71.01253	71.6
72.01583	1.2
72.99181	5.8
73.02823	3.2
73.88303	0.4
75.00746	0.7
83.01261	3.2
84.62199	0.4
85.02290	0.7
85.02821	15.1
87.00748	4.3
89.02317	90.2
90.02642	1.6
91.05390	0.4
91.38231	0.5
95.01266	3.9
97.02837	0.8
99.00758	1.9
101.02322	43.6
102.02650	0.9
109.02818	0.5
111.00745	0.5
113.02328	30.8
114.02650	1.0
119.03387	43.6
120.03732	0.8
121.02877	1.2
125.02328	1.2
129.01836	1.0
131.03406	4.0
133.02805	0.8
135.04344	0.6
137.02417	0.6
143.03397	7.1
147.04437	5.6
149.04414	2.9
151.03896	0.9
153.56808	0.5
159.02895	0.8
161.02397	1.0
161.04456	10.3
162.04771	0.7
179.03426	5.1
179.05521	15.1
179.81717	0.5
180.05797	0.6
191.03404	0.6
209.04474	0.8
219.19405	0.5
235.66191	0.5
320.89847	0.4
393.17334	0.5
399.23712	2.9
528.89594	0.5
561.29150	29.1
562.29620	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	561.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22395	0.7
55.01774	1.4
57.03329	3.1
58.00480	5.1
58.00726	1.0
59.01251	100.0
60.01587	0.9
61.98707	5.6
71.01254	67.9
71.52322	1.0
72.01605	1.3
72.99180	8.3
73.02814	4.2
74.91425	0.6
75.00752	1.6
80.96365	0.8
83.01241	3.9
85.02820	15.3
87.00746	5.6
88.02855	0.7
89.02315	84.4
90.02686	1.5
91.14706	0.7
93.03357	1.4
94.02841	0.7
95.01268	4.7
97.02841	0.8
98.25469	0.6
99.00762	2.4
101.02324	49.3
101.48324	0.7
102.02637	1.0
108.02057	1.6
108.57236	0.7
111.00795	0.8
113.02325	28.3
114.02647	0.7
115.03937	0.8
117.03327	1.7
119.03390	41.9
119.04817	1.5
123.04470	1.2
125.02344	2.0
129.01843	1.0
131.03418	4.5
133.02815	1.3
134.03717	1.0
135.04462	1.7
137.02379	1.9
143.03394	7.0
145.02824	6.6
148.20964	0.7
149.02367	0.7
149.04474	2.9
151.00304	1.5
152.01082	1.6
153.01837	1.7
159.02911	0.7
160.01518	1.5
161.02361	3.1
161.04453	9.2
163.03955	1.1
175.03978	1.6
177.79112	0.6
178.99857	1.4
179.03439	1.0
179.03792	1.2
179.05528	15.5
193.05006	1.3
350.57178	0.8
399.23807	2.0
490.64291	0.8
561.21021	1.8
561.29163	27.9
562.21228	1.4
562.29810	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	561.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12630	0.9
55.01762	2.0
57.03327	1.9
58.00471	5.5
59.01250	100.0
59.15029	0.9
60.01576	1.6
61.98699	9.0
71.01254	73.2
71.51823	1.0
72.01596	1.2
72.99167	6.4
73.02811	5.2
75.00758	1.5
83.01259	6.0
85.02820	15.1
87.00747	4.2
89.02317	85.9
89.69996	0.9
90.02645	1.0
93.03355	1.3
95.01258	5.4
96.95888	1.2
99.00758	3.8
101.02322	46.3
102.02659	1.4
107.01340	0.9
108.02076	3.2
109.02853	2.2
109.04943	0.7
109.05699	0.8
113.02330	31.8
116.64944	0.8
117.03368	2.8
119.03388	39.4
119.04808	1.5
123.04460	1.1
125.02270	1.0
129.01842	1.2
131.03444	4.3
132.51094	1.0
133.02899	1.5
135.04451	2.1
137.02377	3.2
143.03412	7.8
145.02863	8.0
147.04404	1.0
149.04500	4.0
151.00314	2.2
152.01100	2.2
153.01772	1.2
159.02968	1.2
159.31323	0.9
160.01543	1.1
161.02420	1.9
161.04449	9.6
163.03960	1.5
175.03938	1.0
177.01830	1.1
179.05530	12.7
185.95952	1.0
191.05522	1.1
193.04875	1.0
206.96037	1.0
289.46674	1.0
373.87912	1.0
399.10156	1.5
399.19443	1.1
399.24091	2.5
525.29437	1.2
561.20721	3.7
561.29297	30.5
562.29846	5.1
570.63745	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68513	0.3
55.01755	1.1
57.03333	2.1
58.00471	5.4
59.01251	100.0
60.01586	1.3
61.98697	2.4
64.63631	0.3
69.03345	0.5
71.01254	83.0
72.01588	1.4
72.99183	8.6
73.02823	4.8
75.00751	0.7
78.95790	0.3
80.96390	0.3
81.03334	0.3
83.01262	4.1
84.02029	0.6
85.02823	16.1
86.03163	0.4
87.00754	6.0
88.98692	0.4
89.02319	97.4
90.02663	1.5
95.01260	5.1
96.95840	0.3
97.02821	0.8
99.00753	1.7
99.04401	0.5
101.02324	46.0
102.02670	1.0
105.01835	0.5
107.03387	0.3
109.02796	0.3
113.02332	32.2
114.02677	1.1
115.03880	0.3
117.03353	1.0
119.03389	38.3
120.03716	1.0
125.02367	1.6
131.03398	5.9
133.01323	0.4
134.03568	0.4
135.04431	0.5
137.02390	0.4
143.03409	7.1
145.02863	3.0
146.03197	0.3
149.04483	3.2
151.00253	0.3
152.01015	0.6
159.02864	1.0
160.01579	1.0
161.02362	0.5
161.04468	9.9
163.03865	0.5
164.58153	0.3
165.01662	0.3
171.10129	0.7
175.03850	0.7
179.05537	18.4
180.05878	0.8
193.04929	0.6
221.04559	0.5
221.06630	7.0
235.05959	0.5
253.09305	0.6
263.07706	2.1
295.08054	0.4
325.20151	1.2
399.24176	1.4
405.20956	0.3
473.27313	1.4
504.68411	0.3
561.29254	6.1
562.19818	0.5
562.28815	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.5
56.99690	0.3
57.03322	3.0
58.00469	5.9
59.01251	100.0
60.01602	1.3
60.01855	0.2
61.98700	1.7
67.01740	0.4
69.03323	0.5
69.15962	2.4
71.01254	82.5
72.01585	1.4
72.99181	7.3
73.02822	7.4
74.09812	0.2
75.00755	0.8
81.03340	0.3
83.01260	5.5
84.02043	0.6
84.59099	0.2
85.02826	20.5
86.03159	0.4
87.00750	4.6
89.02318	84.5
90.02660	1.5
95.01267	5.5
97.02819	0.8
98.19774	0.4
99.00760	3.5
99.01374	0.4
99.04438	0.3
101.02325	51.4
102.02031	0.3
102.02621	1.2
108.02032	1.6
109.02866	1.6
111.00760	1.7
113.02332	32.7
114.02653	1.0
115.03883	0.3
115.29942	0.2
117.03372	0.6
119.03390	40.3
120.03709	1.0
123.04319	0.3
124.04790	0.2
125.02362	1.2
129.01837	2.3
131.03397	4.1
133.01306	0.3
133.02849	0.3
135.04398	0.3
137.02342	2.8
138.02798	0.2
139.00327	0.3
140.87308	0.2
141.01828	0.4
143.03401	6.6
144.03687	0.2
145.02876	1.6
149.04463	3.5
152.01053	2.5
153.01823	1.0
159.02899	1.6
159.30180	0.2
161.02328	0.3
161.04468	10.4
162.04790	0.3
163.03928	0.4
175.03828	0.3
177.04066	0.4
179.05534	13.8
180.05777	0.4
221.06635	0.2
233.74034	0.2
299.05728	0.3
315.07190	0.3
399.23907	10.2
400.24121	1.1
426.36285	0.3
561.19977	4.1
561.29065	51.0
562.20325	1.1
562.29456	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	561.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36052	0.6
55.01767	2.3
56.04794	0.5
57.03320	4.1
58.00465	4.5
59.01252	93.9
60.01592	1.2
61.98709	6.7
62.35780	1.1
69.03304	0.6
71.01254	74.8
72.01602	1.3
72.99180	7.4
73.02821	6.4
75.00755	1.0
78.95778	0.8
83.01265	5.8
85.02827	19.7
87.00762	6.6
89.02319	67.7
90.02666	1.7
93.03411	0.6
95.01264	5.7
97.02881	0.8
97.06537	0.7
99.00754	3.3
101.02325	51.6
102.02702	1.1
108.02108	0.8
109.06561	0.6
111.00790	2.3
113.02333	31.5
114.02628	0.8
115.37698	0.6
117.03341	7.7
117.04048	0.5
118.03699	0.9
119.03392	33.9
119.04946	2.7
120.03707	0.9
125.02363	1.6
125.09654	0.6
131.03453	2.7
132.02075	12.3
133.02872	2.5
134.03639	21.7
135.04469	1.0
137.02382	2.3
143.03413	5.4
145.02856	24.0
146.03241	1.7
147.04466	1.9
149.02592	0.6
149.04526	1.5
149.06062	3.4
151.04005	0.8
152.01140	0.6
153.09183	1.2
159.02963	1.8
160.01573	52.7
161.02217	3.1
161.04472	10.7
161.05797	0.9
163.03947	2.9
165.05556	0.8
171.10226	1.5
173.06023	0.8
175.03928	58.3
176.04504	4.7
176.08437	0.6
177.01878	0.8
178.02689	1.3
179.03413	1.3
179.05533	10.2
187.11273	1.1
191.07089	4.5
192.12775	0.6
193.04997	30.9
194.05423	2.3
205.12280	3.5
207.06676	1.8
210.39505	0.6
221.06711	1.4
235.06082	19.7
236.06662	2.0
253.09322	0.6
265.07199	7.9
265.09842	0.6
295.08234	11.4
325.20435	2.4
337.09503	1.2
355.10666	2.2
381.23367	0.9
399.23776	9.6
400.24435	1.6
561.29858	100.0
562.30280	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72323	0.8
58.00475	3.2
59.01250	100.0
60.01591	1.1
60.99192	1.3
61.98700	2.8
63.20327	0.8
70.43477	2.1
71.01265	1.4
73.02821	1.2
75.00722	0.7
76.98683	2.2
78.95779	0.7
98.20512	1.1
101.02280	0.8
133.02924	2.2
143.08569	1.4
161.02342	5.9
179.03371	0.7
181.10139	0.8
210.46523	0.9
319.15988	0.8
344.02536	0.8
373.25201	1.0
387.27307	0.9
389.28760	2.8
390.29260	0.8
391.26505	1.8
403.26373	2.4
403.30963	0.9
405.28140	1.7
409.31323	1.5
411.29105	1.8
419.29605	9.3
420.30008	1.2
421.31769	13.6
422.31784	2.1
423.29001	5.3
424.29657	1.4
427.32635	2.4
435.29007	5.9
437.30676	10.0
438.31140	1.8
439.32269	5.6
440.32922	0.9
449.27686	1.3
453.30112	6.9
454.30615	1.7
457.33337	4.5
458.33768	1.3
462.36777	0.8
465.29962	7.9
466.30484	1.9
467.28229	3.0
471.31036	7.9
472.31378	1.2
481.29608	10.7
482.29938	2.2
483.31387	1.8
497.28934	1.3
501.32205	42.0
502.32617	9.9
503.33786	1.8
538.35028	0.8
561.22345	1.7
561.29602	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00469	0.5
58.39783	0.3
59.01251	100.0
60.01593	1.2
60.99186	0.7
61.98702	1.8
69.80891	1.8
71.01250	0.4
73.02834	0.7
78.95807	0.6
82.66177	0.4
83.04943	0.5
109.06485	6.6
109.07182	0.5
135.04474	0.5
143.08600	0.8
145.02933	0.4
171.10286	0.7
179.03467	0.5
181.32254	0.3
205.15874	0.6
325.23972	0.5
340.50061	0.4
371.23849	0.5
387.27106	0.8
403.30453	2.1
405.27597	1.8
409.31219	0.6
411.29086	0.8
419.29718	1.6
421.31204	12.7
422.31659	3.0
423.29019	5.9
424.29630	0.8
427.32175	1.3
435.28998	1.9
436.30032	0.4
437.30618	7.3
438.31128	1.6
439.32159	4.8
440.32767	1.1
449.26999	0.6
453.30115	6.9
454.30716	1.7
457.33218	3.2
458.33713	0.7
465.30151	6.5
466.30771	1.3
467.28009	3.1
468.28796	0.9
471.30829	3.2
472.31677	0.7
481.29666	7.7
481.36160	0.7
482.30133	1.1
483.31168	3.4
484.31827	1.1
489.35300	1.1
497.29202	0.9
501.32227	34.1
502.32599	7.5
513.08893	0.4
561.34528	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40046	3.9
56.51449	4.0
59.01254	76.1
60.99160	5.4
66.52441	4.1
69.56223	29.6
71.01258	56.3
72.99179	40.3
75.00748	5.3
85.02836	11.5
87.00766	12.3
89.01772	6.1
89.02320	100.0
101.02315	35.8
105.01884	5.2
113.02342	20.0
115.00265	9.2
117.01858	28.1
119.03391	9.8
133.01337	54.1
143.03397	6.1
145.01352	10.7
161.00844	11.2
161.04549	5.5
179.05536	47.2
221.02997	20.2
221.06673	37.3
281.08945	5.5
313.02451	5.0
341.10989	7.3
366.06171	5.1
503.16196	99.0
504.16431	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	563.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.4
57.03315	0.7
59.01252	7.5
61.98697	2.0
71.01258	5.0
72.99198	0.5
73.02811	1.2
78.95757	0.5
83.01266	0.6
85.02827	2.1
87.00759	0.8
89.02316	2.8
93.03342	0.4
98.19769	0.8
99.00799	0.5
101.02311	3.0
105.03359	1.0
107.73629	0.4
113.02306	2.1
117.03359	1.4
119.03407	1.2
119.04929	0.8
121.02870	0.5
123.08054	1.5
132.02069	19.0
133.02914	4.7
134.03639	16.6
134.04660	0.7
135.04355	1.5
137.02330	1.4
137.09560	0.6
139.35648	0.5
145.02873	2.2
147.00793	0.4
147.04436	0.5
149.05998	3.2
160.01572	94.2
161.01912	5.7
161.04498	0.4
163.03799	0.4
163.11162	1.4
170.49635	0.4
175.03928	100.0
176.04263	6.1
177.01857	0.8
177.05420	0.7
178.02649	1.6
179.03464	1.4
189.12697	1.9
191.07198	0.4
193.04991	11.7
194.05339	0.9
207.13832	1.1
235.06102	1.4
284.74915	0.4
323.58221	0.4
383.13339	1.6
503.32681	0.8
548.22632	0.9
563.24860	99.5
564.25299	19.5
564.34137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55395	0.6
55.01764	1.1
57.03321	1.5
58.00463	0.9
59.01250	25.4
61.98708	9.4
69.03327	0.9
71.01250	14.0
71.31592	1.3
72.99181	1.6
73.02815	2.5
75.00749	0.8
83.01274	1.2
85.02814	6.7
87.00775	1.0
88.76868	0.6
89.02316	9.3
95.01266	1.6
95.04929	0.9
96.95876	0.8
97.06459	0.7
97.89822	0.6
99.00753	1.6
101.02330	8.6
105.03351	0.8
107.04902	0.7
108.02055	2.1
109.02890	1.3
112.48580	0.5
113.02325	7.2
117.03351	2.1
119.03387	3.2
119.04914	2.1
125.02379	0.9
127.11182	0.7
127.29623	0.7
132.02072	22.4
133.02904	5.6
133.50812	0.6
134.03636	32.8
134.14944	0.7
135.04388	1.0
136.01512	1.0
136.05151	0.7
137.02379	2.6
137.09599	0.6
139.03946	0.8
145.02850	2.0
147.04440	2.8
148.05171	2.7
149.05991	8.7
152.01074	3.2
153.01492	0.8
153.05542	0.8
160.01573	100.0
161.01936	5.2
161.04480	2.3
163.03946	1.3
163.07462	0.7
171.10153	5.2
173.05997	2.8
175.03928	98.7
176.04640	13.8
177.01866	2.4
177.05191	1.0
178.02679	3.2
179.03416	1.6
179.05629	0.8
183.13857	0.8
191.07054	17.6
192.04257	0.8
192.07469	1.6
193.04997	43.9
194.05380	3.0
207.06587	5.6
211.13387	5.3
217.04982	1.7
220.03723	1.8
229.14438	3.9
235.06087	64.2
236.06400	4.1
239.12825	0.6
251.91068	0.7
253.09297	10.3
265.07150	17.6
265.11633	0.7
266.07455	1.8
285.04001	0.8
291.19699	1.1
295.08209	21.9
296.08603	2.2
327.21762	32.0
328.22052	2.7
337.09454	1.1
355.10324	5.8
475.92020	0.7
503.32217	4.4
505.21341	1.0
521.33337	1.9
545.24268	1.8
563.24982	90.6
564.25336	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	563.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	6.6
59.01252	100.0
61.98695	94.2
71.01254	77.9
71.52354	9.9
72.99168	16.6
73.02813	26.8
75.00737	7.8
83.01251	21.6
85.02816	39.3
87.00761	23.3
89.02337	70.0
91.56934	7.5
93.03350	11.4
95.41782	7.1
96.95917	10.7
99.00768	35.3
101.02317	56.6
102.84509	8.8
113.02331	42.1
119.03380	22.5
120.99489	9.9
133.02876	13.1
135.04431	18.0
137.02345	16.7
142.24059	7.7
145.02821	23.6
149.04453	25.6
161.02339	22.2
161.04507	14.7
163.03946	13.3
163.11121	8.6
179.03349	21.0
191.05502	12.5
233.06665	8.9
285.03964	12.5
383.11554	9.5
503.24728	13.3
563.24768	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70010	0.7
59.01251	100.0
60.01594	1.3
61.98697	1.6
64.95082	0.6
65.43938	0.6
70.09399	1.3
78.95782	5.0
89.41232	0.7
98.20442	1.1
152.99463	5.1
160.82257	0.6
171.00572	1.0
195.13893	0.7
223.13348	13.7
223.15367	1.1
224.13660	1.5
245.04266	5.1
253.21771	2.5
358.31110	0.8
376.93314	0.6
409.32193	0.8
481.25754	7.5
482.26260	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63468	1.4
59.01247	100.0
60.01587	2.1
60.85040	1.5
61.98703	14.5
71.01252	2.7
71.52668	1.8
75.40930	1.3
78.95766	2.2
80.96384	8.2
94.97974	2.1
110.62556	1.3
117.03313	2.5
121.02842	1.5
178.11815	1.6
188.49805	1.5
190.74681	1.4
225.00633	2.8
277.21735	2.5
362.83768	1.6
407.29471	3.5
409.27365	4.6
421.31107	3.2
423.32770	2.0
425.30859	10.7
426.30878	1.6
439.32162	10.9
440.32529	2.5
441.33707	35.7
442.33942	6.6
457.33179	2.0
459.34518	2.4
467.31924	2.5
485.32712	37.6
486.32870	7.0
503.33841	36.1
504.33878	11.1
563.25336	11.4
563.35541	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	564.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.8
61.98701	100.0
64.04926	0.1
69.31982	1.1
71.01256	0.8
78.95780	0.2
85.02831	0.3
89.02325	0.6
96.95894	2.3
96.96844	0.3
98.02351	2.1
98.95483	0.2
99.00769	0.4
101.02324	0.4
113.02322	0.4
118.96004	0.2
134.01862	0.2
134.03642	0.2
149.04530	0.2
161.02429	0.2
179.03291	0.2
213.94954	0.2
223.58136	0.2
269.04605	0.6
270.04984	0.3
270.64954	0.2
352.51791	0.2
465.23361	0.6
574.08917	0.2
592.62634	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.4
59.75147	0.2
61.98703	100.0
69.53535	0.2
71.01279	0.2
71.29340	0.3
159.26334	0.2
181.04980	0.3
261.42981	0.2
402.13376	0.3
403.14154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27967	0.1
59.01254	1.3
61.98704	100.0
62.90451	0.1
62.98389	0.1
70.03742	0.4
71.01263	0.8
72.99184	0.1
73.02821	0.3
80.22462	0.1
83.01266	0.2
85.02837	0.3
87.00785	0.1
89.02325	0.4
93.03368	0.1
98.19821	0.1
99.00738	0.1
101.02316	0.5
109.02878	0.1
113.01649	0.1
113.02289	0.5
119.03438	0.1
131.03389	0.1
133.02890	0.3
135.04440	0.8
137.02348	0.2
149.04471	0.1
153.05589	0.1
161.02365	0.9
161.04491	0.2
179.03447	0.4
193.05009	0.1
268.09744	0.1
293.64185	0.1
309.07568	0.1
339.12338	0.1
341.13791	0.1
342.14481	0.3
364.11597	0.6
364.61725	0.3
472.51276	0.1
565.21790	0.2
565.29889	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	565.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	22.2
61.98686	6.7
69.44608	12.9
69.72923	1.6
71.01257	19.5
72.99174	2.9
73.02801	3.2
75.00715	2.6
78.21583	1.6
78.95776	2.2
85.02798	5.4
87.00728	4.6
89.02319	12.3
92.94680	1.9
93.03368	2.3
95.01237	2.9
95.36118	1.7
96.95934	2.8
99.00777	3.2
101.02329	10.0
102.01775	1.7
109.02855	2.5
113.02305	6.0
119.03382	5.0
121.02835	2.0
123.00746	4.4
132.04431	5.5
133.02814	2.4
135.04378	3.4
136.01572	3.0
137.02307	3.3
139.00269	3.0
139.03862	2.5
143.03392	2.3
144.31345	1.7
147.04358	2.9
150.05490	2.4
151.03879	5.6
152.01085	2.7
158.02370	2.3
160.03905	5.3
161.02313	3.3
162.05548	2.7
163.03897	3.2
168.80150	1.9
175.07442	2.0
176.03371	6.3
181.04971	6.7
184.07530	3.7
187.08740	2.2
190.05028	11.7
193.04953	5.4
211.05998	3.0
211.08765	4.2
212.05573	3.2
212.07301	3.4
213.06604	4.9
213.08630	1.7
215.11694	3.1
223.08664	2.2
224.09438	3.9
225.06569	4.1
227.08229	16.8
237.09979	4.0
238.08580	1.9
239.04503	1.9
239.08127	6.5
239.11862	9.8
240.10350	3.9
241.09808	6.8
250.07211	4.1
252.05357	2.4
253.06204	15.0
253.09578	4.3
254.03287	3.6
254.06731	2.4
255.07745	17.0
255.11406	3.7
256.04834	3.5
265.09760	4.8
266.06671	3.8
267.07773	11.4
268.08368	8.8
269.09344	2.8
271.07248	18.7
272.07739	2.7
281.06323	1.8
281.09229	10.4
283.07709	4.0
283.10861	43.6
284.11304	3.1
287.10391	13.5
294.06342	2.8
297.08765	6.4
299.06650	3.6
299.10016	5.4
309.08798	31.7
311.06586	7.3
313.11636	1.9
325.08249	2.9
327.09839	15.5
328.09518	4.4
331.09338	6.5
335.06622	2.8
341.11383	16.7
343.12296	8.8
345.15863	2.6
353.07693	5.0
359.14960	6.7
371.08878	13.0
373.12753	6.5
385.10483	22.8
386.10770	2.6
401.13528	4.6
403.10632	38.2
404.11633	6.2
427.11365	3.9
445.12491	25.2
446.13019	2.5
473.11829	4.5
475.13602	12.3
487.13480	3.1
505.14642	100.0
506.14920	13.0
533.14020	11.4
565.16705	84.7
565.25854	1.6
566.16846	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99166	0.9
59.01241	2.4
69.45773	7.6
71.01255	3.9
83.01270	1.8
85.02820	2.2
85.43007	1.0
89.02344	1.4
95.01259	1.2
98.19756	0.9
101.02331	2.2
107.55096	1.0
109.02808	2.1
111.00751	1.3
113.02316	2.3
119.03408	1.2
121.02847	3.8
123.00760	2.0
124.01539	4.1
125.02365	1.3
134.03583	3.4
135.00801	1.2
135.04413	1.4
136.01556	2.1
137.02342	3.4
139.00232	4.6
139.03911	44.0
140.04263	1.1
146.03632	8.1
149.02341	2.4
149.05981	3.2
151.00253	5.6
151.03917	3.7
152.00998	2.4
153.01866	1.8
153.05490	6.3
156.91339	1.0
160.01599	1.4
161.02333	3.7
161.05995	2.6
162.03162	1.4
163.00275	9.3
164.04681	6.1
165.01831	3.5
166.02618	17.8
167.03268	1.3
177.05545	1.5
178.02646	12.1
178.30476	1.1
179.03375	3.4
179.07048	21.7
180.04195	2.5
180.07413	1.4
181.01385	11.0
181.04982	23.0
183.06546	3.6
193.01335	6.8
193.04967	24.5
194.02107	7.5
194.05603	1.9
195.02881	6.2
195.06487	1.5
196.03714	23.5
197.04498	6.3
207.02971	3.3
208.03751	4.5
209.04488	2.2
211.06056	100.0
212.06419	5.9
222.05281	2.2
223.06055	17.2
224.06387	1.2
237.07663	2.6
241.07147	14.8
255.07602	1.2
269.04434	1.9
281.09372	1.1
283.10910	4.6
284.06821	10.6
285.07574	2.9
291.14182	1.1
298.08276	1.8
299.09192	17.3
300.09924	5.6
308.42117	1.1
313.07227	2.7
313.10831	2.8
314.08008	1.2
314.11401	5.1
315.12335	3.0
327.09705	2.5
328.09546	4.8
329.09897	1.4
340.09641	1.6
343.08069	2.9
343.11859	7.3
358.10504	7.3
371.08917	2.2
373.12906	53.9
374.13232	6.4
403.14050	51.6
404.14417	8.0
465.76642	1.3
505.14520	2.7
565.16486	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	565.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54496	0.9
55.66676	0.8
57.03304	1.0
58.00471	1.5
58.02837	1.3
59.01253	21.5
61.98692	5.1
69.46394	0.9
71.01254	21.9
71.51604	1.1
72.99176	3.1
73.02824	3.5
75.00744	3.8
78.95757	1.8
81.03326	1.1
83.01261	2.9
85.02824	6.3
87.00761	2.7
89.02315	12.5
93.03310	1.8
95.01242	1.3
96.95901	2.6
99.00767	4.4
99.18958	0.8
101.02329	14.4
102.01846	3.5
104.94553	0.9
105.03324	0.9
107.04906	1.0
108.02043	2.4
109.02843	4.0
111.00718	2.2
113.02329	9.7
115.00261	0.9
117.03343	1.0
119.03381	5.0
119.04864	1.0
121.02840	2.5
122.03636	1.8
123.00803	2.2
123.04406	2.8
124.01560	1.9
131.03351	1.0
132.04475	1.0
133.02849	1.5
134.03632	8.3
135.00787	1.3
135.04384	1.6
136.01532	4.7
137.02344	5.7
138.03098	1.3
139.00259	3.1
139.03925	5.1
143.03386	1.8
145.02844	2.8
146.03642	8.8
147.04385	4.1
148.05171	2.0
149.02357	5.0
149.04454	2.1
149.05959	5.7
150.03142	4.8
151.00281	1.4
151.03915	6.1
152.01015	2.8
153.01817	2.4
153.05461	3.9
159.04478	2.8
160.01578	3.0
160.03992	1.4
160.05171	6.8
161.02356	8.3
161.04593	6.0
161.05983	5.8
162.03125	4.0
162.06728	1.7
163.00273	21.8
163.03944	5.5
164.00755	1.4
164.04688	11.2
165.01814	4.2
165.05449	2.5
166.02615	3.6
167.03345	3.5
168.00584	1.1
173.06071	1.0
174.03059	1.2
175.03903	4.0
175.07530	9.7
176.04678	2.3
177.01817	2.9
177.05478	7.7
178.02641	41.0
178.06165	1.3
179.03374	10.8
179.04857	1.2
179.05551	1.5
179.07010	12.5
180.04178	3.4
181.04933	3.9
183.06560	10.1
191.03503	1.3
191.05475	1.4
191.06995	1.9
192.04128	1.8
193.01411	6.4
193.04993	70.0
194.02086	1.7
194.05522	5.6
195.02992	1.4
195.06549	5.2
196.03644	2.3
207.02895	6.4
207.06563	1.2
208.03609	5.1
211.06071	9.6
212.61418	0.9
221.04501	2.6
222.05370	4.3
223.06055	21.2
224.02582	0.9
225.07683	1.1
227.07028	2.3
237.07658	4.2
237.09726	3.5
241.05054	0.8
241.07153	15.3
251.03452	1.6
253.05339	1.0
269.04535	3.7
271.06677	1.2
282.05209	1.1
283.06100	1.8
283.10855	3.1
284.04022	1.8
284.06909	19.0
285.07599	7.2
297.07690	2.0
298.08414	3.0
299.09250	34.5
300.09848	11.6
301.10464	1.8
309.08725	1.7
311.09375	2.0
313.07162	4.2
313.10803	5.0
314.11575	13.1
315.12277	3.4
325.07080	2.4
327.09348	3.3
328.09521	8.3
329.10266	2.0
329.13925	3.9
339.08710	1.2
340.09473	3.0
341.71039	1.1
343.08133	4.7
343.11862	16.0
344.12286	1.6
345.15576	3.7
355.08353	1.4
358.10547	11.6
359.15005	45.7
360.15387	6.1
361.16776	1.6
370.10321	1.2
371.08801	2.5
373.12891	100.0
374.13272	12.2
387.26721	1.2
403.14059	87.9
404.14349	14.1
445.12155	1.0
463.21945	1.4
475.13864	1.9
565.18207	6.6
565.28387	13.6
566.17413	2.7
566.27332	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47153	0.7
55.01744	1.6
57.03325	1.7
59.01251	18.7
61.98699	11.7
69.03320	1.2
71.00320	1.4
71.01254	17.9
72.99178	2.7
73.02822	5.4
75.00762	1.3
78.95789	2.6
83.01260	4.2
85.02827	10.9
85.99952	1.3
87.00750	100.0
88.01096	1.4
89.02356	3.2
95.01265	1.2
98.20179	1.0
99.00760	2.6
101.02324	15.3
102.02657	0.7
110.42957	0.6
111.00766	1.9
113.02321	7.5
115.35538	0.7
117.03338	1.1
119.03420	0.8
119.04886	0.9
123.00770	0.7
125.02335	1.9
130.99744	4.3
135.04396	0.8
143.03416	0.9
145.02850	2.0
159.28864	0.8
161.02362	1.8
161.04468	1.9
163.03842	1.2
165.05444	1.4
179.03539	0.8
213.46095	0.7
251.23555	0.8
297.24359	4.6
403.27179	0.8
431.30243	7.6
433.27673	0.8
441.28519	15.6
442.29089	2.1
459.29584	4.1
460.30005	1.0
461.27524	8.7
462.27917	1.1
485.27524	26.3
486.28143	4.3
503.28482	5.8
504.29184	1.0
505.33453	2.0
518.34229	0.8
529.26184	0.9
547.27649	4.5
548.28125	0.8
565.28656	69.2
566.20825	1.1
566.29083	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	566.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.3
61.98703	100.0
69.29723	1.4
71.01251	1.2
72.99197	0.2
73.02821	0.2
75.00739	0.2
77.66408	0.2
77.89605	0.1
78.95776	0.2
85.02839	0.6
87.10290	0.2
89.02338	0.6
93.03338	1.1
95.01246	0.2
96.95882	1.5
96.96841	0.3
97.02880	0.2
98.02357	0.9
98.19865	0.3
98.62920	0.2
98.95444	0.2
99.00785	0.3
99.09441	0.1
101.02307	0.8
105.01855	0.2
108.02065	0.7
109.02882	0.2
113.02362	0.7
119.03455	0.2
119.04946	0.3
133.02875	0.3
135.04414	0.4
137.02335	1.7
139.03925	0.2
152.01086	0.9
161.02344	0.7
161.04552	0.2
163.03917	0.3
179.03484	0.3
180.20935	0.1
218.06151	0.2
367.38770	0.2
405.25208	1.0
429.10602	0.8
467.25049	0.4
567.13861	0.5
567.22052	0.3
567.30701	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47318	0.3
54.15870	0.3
57.03284	0.3
59.01239	2.7
59.57716	0.3
61.98703	100.0
62.95380	0.3
62.98317	0.2
69.37774	2.2
70.54421	0.3
71.01260	2.3
72.99174	0.5
73.02808	0.4
75.00735	0.6
79.22301	0.3
83.01283	0.6
85.02821	0.7
87.00741	0.3
89.02314	1.8
93.03336	0.4
96.95921	0.4
99.00785	0.9
101.02314	1.4
113.02361	0.9
117.03362	0.3
119.04891	0.3
123.04472	0.4
126.10816	0.3
133.02885	0.4
135.04466	0.6
137.02347	0.7
161.02379	1.0
161.04451	0.6
163.03973	0.4
179.03413	0.8
236.07288	0.3
237.09831	0.4
284.11148	0.4
309.08820	0.4
453.06607	0.4
462.29813	0.3
506.15173	1.0
566.18921	0.6
567.30267	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36258	0.1
57.03318	0.1
59.01248	0.7
61.98703	100.0
62.98440	0.2
66.22247	0.1
66.45512	0.1
71.01248	0.6
71.51742	0.1
72.99182	0.2
73.02834	0.2
73.75591	0.1
74.15140	0.1
74.42241	0.1
75.00799	0.1
83.01266	0.2
85.02842	0.4
87.00761	0.1
89.02319	0.3
96.95936	0.2
101.02343	0.5
106.27921	0.1
108.01989	0.2
109.02876	0.2
113.02348	0.3
116.92762	0.2
119.03420	0.2
120.99565	0.6
123.04415	0.2
123.63098	0.2
133.02922	0.2
135.04388	0.3
137.02370	0.2
145.02832	0.2
161.02383	0.4
163.03976	0.2
179.03528	0.2
269.97189	0.1
405.24890	0.2
422.36203	0.2
472.15192	0.5
567.23682	0.2
567.31079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55670	0.1
59.01250	2.2
61.98703	100.0
71.01254	1.8
72.99203	0.3
73.02802	0.3
75.00747	0.4
78.95783	0.3
83.01251	0.3
85.02837	0.6
87.00761	0.4
89.02316	0.5
91.43674	0.2
93.03366	0.2
95.01260	0.2
96.95892	0.3
98.20560	0.3
99.00787	0.2
101.02307	0.7
108.02076	0.2
109.02853	0.3
113.02332	0.8
116.92846	0.1
119.03450	0.2
120.99561	0.4
123.04491	0.1
125.02363	0.2
129.31657	0.1
131.79016	0.1
133.02852	0.3
133.21063	0.2
135.04404	0.3
137.02365	0.5
145.02892	0.3
150.03130	0.2
151.03932	0.3
152.01118	0.3
153.01761	0.2
161.02359	0.9
161.85207	0.2
162.02901	0.1
163.03954	0.3
164.95084	0.2
168.14999	0.1
172.79982	0.1
176.77913	0.1
179.03484	0.4
179.05467	0.2
184.65802	0.1
193.01306	0.2
207.04735	0.2
285.04083	0.2
347.46268	0.1
405.25342	0.2
466.24042	0.3
505.33878	0.4
506.34253	0.4
524.34930	0.2
566.21576	0.3
567.23450	0.7
567.31543	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17963	0.2
52.25962	0.2
53.31577	0.2
57.03328	0.4
59.01249	3.0
60.63376	0.2
61.98701	100.0
69.51099	1.1
71.01250	2.5
71.26038	0.2
72.99178	0.6
73.02827	0.9
74.63662	0.2
75.00771	0.4
79.95618	0.2
83.01285	0.5
85.02829	0.8
87.00779	0.4
89.02331	1.3
93.03362	0.3
93.27320	0.2
94.41245	0.3
96.95917	0.4
98.02328	0.3
99.00755	0.7
101.02328	1.8
108.02042	0.2
109.02821	0.3
113.02328	1.3
119.03410	0.2
119.04922	0.2
121.02849	0.4
123.04505	0.3
133.02850	0.7
134.03629	0.4
135.04440	0.6
137.02382	0.6
145.02899	0.6
149.02467	0.2
149.04475	0.3
152.01126	0.2
152.99498	0.2
153.05414	0.2
161.02382	1.0
161.04572	0.7
163.03957	0.4
179.03436	0.6
193.26218	0.3
237.09882	0.3
284.11353	0.3
333.40231	0.3
347.17233	0.4
404.12048	0.3
490.75018	0.3
506.15060	0.5
566.19336	0.5
567.19061	0.3
567.28857	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.5
60.01575	0.4
61.01681	0.4
61.98703	100.0
65.34201	0.1
70.77238	0.1
71.00339	0.2
89.45207	0.1
213.96904	0.1
229.00905	0.1
439.32349	0.4
485.32852	0.5
544.40417	0.1
567.32971	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74748	0.7
59.01239	3.3
59.24786	0.6
61.19171	0.8
61.58951	0.6
61.98704	14.4
62.81390	0.6
68.92038	0.7
71.01253	3.6
71.52879	0.7
73.02820	1.3
85.02821	2.5
89.02353	0.9
93.03337	44.3
94.03695	1.5
99.00758	1.3
101.02328	1.2
108.02051	48.9
109.02893	7.4
113.02367	1.3
119.04880	0.8
123.04356	1.3
125.02261	0.9
135.04416	0.8
137.02345	58.2
138.02647	2.2
145.02747	0.8
151.03902	1.9
152.01054	78.5
153.01808	4.9
161.04437	0.9
163.03943	3.9
207.02913	0.7
300.75977	0.8
315.06967	1.1
329.12201	0.8
429.10324	4.2
447.11356	12.9
448.11801	1.1
535.42633	0.9
567.13507	100.0
568.13818	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	567.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.3
57.03323	1.0
59.01255	6.0
61.41064	0.2
61.98705	7.1
69.03370	0.3
71.01254	7.5
72.99177	0.4
73.02827	0.6
75.00750	0.3
78.67960	0.3
78.88248	0.2
78.95786	2.1
80.96788	0.2
83.01237	0.4
85.02827	7.3
87.53040	0.2
89.02324	2.1
93.03342	0.4
95.01254	2.8
98.19795	0.9
99.00732	0.3
101.02310	1.2
105.03337	0.7
108.02118	0.5
109.02859	0.5
113.02335	12.3
114.02649	0.2
115.01852	0.4
117.03352	1.7
119.03371	0.3
120.99580	0.3
122.06016	0.6
123.04439	0.6
125.02311	0.3
127.73952	0.2
132.02104	1.7
132.04457	0.9
133.02855	30.2
134.03279	1.0
135.04431	5.2
135.08052	0.3
136.04770	0.3
137.02344	1.1
143.03394	0.3
145.02847	0.4
152.01103	0.7
152.07106	1.5
153.01933	0.3
155.20888	0.3
160.01511	0.6
161.02357	100.0
162.02702	5.2
163.03896	0.4
167.03514	0.3
173.06157	0.4
175.03928	0.6
176.03506	0.4
179.03444	2.5
190.05067	0.3
201.05559	0.7
229.76991	0.4
341.11441	0.9
355.12823	0.5
356.13467	0.5
388.13004	0.5
492.21667	0.5
524.23938	0.8
555.17847	0.3
567.20752	30.2
568.21307	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	567.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01526	0.4
55.01759	4.0
57.03321	2.9
57.10438	0.3
57.49408	0.3
58.00459	1.0
58.60695	0.3
59.01250	19.0
61.98699	7.1
63.99108	1.0
68.99658	0.7
69.03310	0.6
70.64275	0.8
71.01253	29.9
72.01582	0.5
72.99186	2.3
73.02818	11.8
75.00748	1.3
83.01254	8.9
85.02821	17.3
85.83361	0.2
85.99955	1.1
86.03130	0.3
87.00749	3.2
89.02317	3.8
93.03312	0.4
95.01254	2.4
96.95892	0.3
97.02831	1.5
99.00763	5.0
101.02322	28.3
102.02646	0.9
102.74665	0.3
108.02100	0.3
111.00768	7.5
111.95351	0.3
111.96145	0.3
113.02331	10.9
113.81472	0.3
114.02657	0.3
117.03310	0.3
118.51980	0.3
119.03386	1.4
121.78194	0.3
123.04399	0.4
124.03963	0.4
125.02325	1.0
129.01825	1.5
131.03394	0.5
133.02864	0.7
135.04391	0.6
137.02299	1.1
139.00291	0.4
141.01830	0.9
143.03404	0.9
145.02875	0.6
153.01782	0.4
159.02893	2.9
161.02342	1.6
161.04439	3.6
179.03362	0.5
236.95786	0.3
243.19685	1.6
285.20566	0.3
405.24918	15.0
406.25122	1.9
432.48029	0.3
447.26511	0.3
567.30200	100.0
568.30566	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	567.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01526	0.4
55.01759	4.0
57.03321	2.9
57.10438	0.3
57.49408	0.3
58.00459	1.0
58.60695	0.3
59.01250	19.0
61.98699	7.1
63.99108	1.0
68.99658	0.7
69.03310	0.6
70.64275	0.8
71.01253	29.9
72.01582	0.5
72.99186	2.3
73.02818	11.8
75.00748	1.3
83.01254	8.9
85.02821	17.3
85.83361	0.2
85.99955	1.1
86.03130	0.3
87.00749	3.2
89.02317	3.8
93.03312	0.4
95.01254	2.4
96.95892	0.3
97.02831	1.5
99.00763	5.0
101.02322	28.3
102.02646	0.9
102.74665	0.3
108.02100	0.3
111.00768	7.5
111.95351	0.3
111.96145	0.3
113.02331	10.9
113.81472	0.3
114.02657	0.3
117.03310	0.3
118.51980	0.3
119.03386	1.4
121.78194	0.3
123.04399	0.4
124.03963	0.4
125.02325	1.0
129.01825	1.5
131.03394	0.5
133.02864	0.7
135.04391	0.6
137.02299	1.1
139.00291	0.4
141.01830	0.9
143.03404	0.9
145.02875	0.6
153.01782	0.4
159.02893	2.9
161.02342	1.6
161.04439	3.6
179.03362	0.5
236.95786	0.3
243.19685	1.6
285.20566	0.3
405.24918	15.0
406.25122	1.9
432.48029	0.3
447.26511	0.3
567.30200	100.0
568.30566	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	567.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	5.6
57.03324	4.3
58.00451	1.8
58.97145	0.4
59.01253	26.2
59.26568	0.4
61.98701	8.1
62.29595	0.4
63.99119	0.8
66.47628	0.5
69.03321	1.4
69.30830	1.2
69.31237	2.6
71.01254	34.1
72.01593	0.6
72.99171	2.4
73.01686	0.4
73.02818	14.3
74.03162	0.4
75.00735	1.6
83.01260	10.2
85.02821	20.4
85.99966	1.5
86.03164	1.0
87.00756	4.6
89.02317	5.8
95.01245	2.8
97.02865	1.1
99.00752	5.8
101.02325	29.3
102.02644	0.5
108.02020	0.5
111.00766	8.1
113.02331	13.0
119.03390	1.3
125.02350	1.1
129.01833	1.5
141.01817	1.1
143.03275	0.7
145.02878	0.9
159.02924	2.9
161.02342	1.3
161.04486	3.3
195.65536	0.5
223.09993	0.4
243.19603	1.4
275.91165	0.5
295.84436	0.4
405.19791	0.8
405.24973	14.5
406.25241	1.5
452.41977	0.5
567.30200	100.0
568.30566	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	568.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08061	0.3
59.01253	1.6
61.98700	100.0
71.01260	1.5
73.02821	0.5
78.95758	0.7
85.02831	1.0
89.02325	0.7
93.03332	8.7
94.03668	3.2
99.00779	0.5
101.02361	0.4
107.49800	0.3
108.02050	9.0
109.02288	2.4
110.03191	0.5
113.02330	0.8
116.69497	0.3
117.03419	0.3
119.04937	0.6
121.02827	0.7
135.04422	0.6
137.02342	11.7
137.05980	0.3
138.02673	3.7
138.05507	0.3
139.02873	0.4
145.02867	0.9
152.01059	16.5
152.99516	0.3
153.01387	6.4
161.02345	0.4
161.04436	0.5
163.03929	0.9
164.04399	0.3
179.03419	0.5
193.04985	0.3
215.32462	0.3
258.95914	0.3
284.48489	0.3
307.08102	0.4
365.37604	0.3
401.44638	0.3
429.10272	0.4
430.10703	1.3
447.11603	0.8
448.11731	2.3
449.11984	0.4
568.13849	25.1
569.13910	4.1
569.22272	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87551	0.2
55.01744	0.2
57.03324	0.2
58.57671	0.2
59.01248	2.1
60.99189	0.6
61.24210	0.2
61.98702	100.0
62.98402	0.2
67.41593	0.2
69.46467	1.3
71.01250	2.3
73.02823	0.9
83.01286	0.7
85.02832	1.2
87.00782	0.3
88.98682	2.7
89.02335	0.7
95.89339	0.2
99.00755	0.4
101.02317	1.9
111.00739	0.4
113.02348	1.1
117.03307	0.4
119.08971	0.2
123.04459	0.2
135.04466	0.4
145.02849	2.8
159.02908	0.3
161.02390	0.8
161.04462	0.3
163.03894	0.5
185.69298	0.2
190.91034	0.2
200.70572	0.2
231.04619	0.2
275.67279	0.2
291.30908	0.2
316.68335	0.2
407.26764	1.0
420.39154	0.2
426.08978	0.2
465.27240	0.6
568.33350	1.4
569.22314	1.0
569.31769	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	569.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.4
58.00463	0.2
59.01252	6.5
61.98701	0.9
71.01247	4.6
72.99191	0.3
73.02816	0.4
83.01270	0.3
85.02822	2.9
85.03294	0.3
87.00720	0.3
89.02306	3.8
95.01272	1.0
101.02332	1.3
105.03346	0.5
113.02331	6.5
114.02642	0.3
117.03358	1.1
119.03387	1.0
123.04391	0.4
132.02026	1.1
133.02850	25.3
134.03252	0.7
135.04420	4.4
137.02391	0.3
143.03400	0.2
145.02846	0.3
150.03105	0.5
159.09608	0.2
161.02348	100.0
162.02696	5.2
179.03407	1.5
179.05357	0.3
209.04462	0.8
239.05542	0.8
383.65161	0.2
407.19196	0.8
408.20273	0.2
569.22369	36.7
570.22717	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	569.2733
Annotation	Ganoderic acid F
Peak:m/z	Relative Intensity
55.01782	0.5
59.01245	3.6
61.98703	100.0
68.09658	0.4
68.55511	0.4
69.03338	1.9
69.33275	0.6
69.33678	3.3
70.97256	0.4
71.01262	1.6
73.37167	0.4
75.00761	0.7
75.37212	0.5
78.95776	32.3
83.04913	1.6
84.02048	2.9
85.02842	1.0
89.02341	0.6
90.75303	0.5
95.04898	0.6
96.96835	2.5
97.02847	1.2
97.06468	9.2
98.06788	0.6
99.04422	1.1
101.02339	0.5
113.02299	0.8
119.04916	0.6
121.10128	0.5
125.02356	0.6
125.09643	2.2
127.11156	0.5
133.02843	1.1
137.09628	1.3
139.13354	0.5
145.02875	0.6
149.02388	0.6
150.97945	0.6
152.99490	41.4
153.99854	0.6
161.02304	1.4
165.05428	0.7
165.12769	1.1
171.00577	3.1
171.10179	11.3
175.11145	0.9
177.12793	0.9
181.04887	0.8
181.92203	0.5
183.13889	0.6
185.11775	0.8
193.12260	14.1
194.12553	0.5
197.15366	0.6
211.05872	0.6
211.13329	2.6
221.11726	1.1
225.14911	20.2
226.15215	1.8
227.03261	4.6
227.12944	0.6
243.15991	7.6
245.04320	2.1
253.14455	0.9
285.04199	0.6
291.19507	0.5
313.03503	0.9
328.05902	0.5
329.06625	1.1
341.23303	41.0
342.23682	4.4
435.84598	0.5
477.22723	2.2
495.23880	0.7
509.36102	1.2
569.27313	93.2
570.27618	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
56.18081	0.4
56.92825	0.5
63.96112	1.2
69.03320	1.0
71.01254	6.5
73.02821	1.3
73.58377	0.4
78.98460	4.8
79.95608	9.2
80.96392	62.5
81.03320	0.8
83.04898	0.3
85.02824	2.4
87.00752	2.7
91.03881	0.5
94.97966	14.3
95.01287	0.4
96.95885	1.1
97.02831	1.5
98.19782	1.0
99.00760	0.7
101.02332	1.9
106.97958	3.2
122.97464	2.4
125.02361	2.9
127.03928	0.6
134.97472	4.8
136.99045	1.5
138.67918	0.3
148.99045	6.8
152.98532	5.0
154.67322	0.4
164.98546	11.3
206.99670	1.8
225.00702	15.9
226.00958	0.5
269.24713	1.8
299.04456	2.7
452.86090	0.5
558.46887	0.4
569.30017	100.0
570.30347	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.5
57.03323	2.8
58.00477	1.1
59.01253	17.3
59.15667	0.2
61.98698	0.6
64.16035	0.2
68.99688	0.3
69.03319	0.7
70.04534	0.6
71.01253	25.1
72.01585	0.5
72.99175	1.6
73.02818	10.6
75.00745	0.9
81.03356	0.2
83.01258	7.5
85.02825	16.4
85.99979	0.9
86.03163	0.3
87.00745	2.5
88.68694	0.2
89.02317	3.5
93.49661	0.2
95.01268	2.5
97.02834	0.9
99.00755	4.1
99.04430	0.2
100.01113	0.2
101.02324	23.3
102.02656	0.7
111.00766	7.3
113.02328	8.9
114.02647	0.2
117.03375	0.2
119.03382	0.8
123.00813	0.2
125.02332	0.9
127.00170	0.2
127.58356	0.2
129.01839	1.7
131.03372	0.3
137.02342	0.2
139.00252	0.2
141.01884	1.1
143.03445	0.8
145.02855	1.4
149.02400	0.2
159.02895	2.2
161.02420	0.3
161.04482	3.1
163.03943	0.4
179.03456	0.2
243.19719	0.3
245.21118	0.7
284.03009	0.2
299.05618	0.4
407.26486	13.1
408.26770	1.8
520.16077	0.2
569.31757	100.0
570.32117	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	569.318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	6.6
57.03329	4.9
58.00471	2.6
59.01254	60.3
61.98707	9.4
69.03342	2.1
70.19665	1.0
71.01256	93.4
72.01581	1.3
72.99182	9.0
73.02823	27.1
75.00770	2.7
78.95771	1.8
79.76909	0.8
83.01262	18.5
83.01720	1.4
85.02824	44.3
86.03156	1.0
87.00764	7.8
89.02319	26.8
93.03315	4.5
95.01262	10.0
96.95892	2.0
97.02850	4.2
98.20571	1.9
99.00757	13.0
101.02325	70.1
102.02680	1.9
104.64009	0.9
109.02879	1.5
111.00771	2.8
113.02334	41.8
114.02654	1.6
117.03339	2.1
119.03407	10.1
119.04945	1.9
125.02332	5.4
129.01845	1.8
131.03421	2.6
133.02875	2.1
134.03670	0.9
135.04419	3.2
137.02364	5.5
143.03407	7.8
145.02858	13.3
151.03899	0.9
152.00984	1.3
152.99527	0.9
153.05649	0.8
159.02898	5.9
160.05170	1.4
161.02469	5.4
161.04471	37.0
161.05853	1.9
161.74408	0.9
162.04794	1.0
162.13159	1.0
163.03931	2.6
165.05566	1.4
167.03415	1.1
175.03984	1.0
177.01854	1.3
179.03450	3.9
179.05566	3.9
185.81291	0.8
186.37653	0.8
193.04971	1.1
205.03525	2.1
207.16235	0.8
221.06671	3.3
226.52399	0.9
234.87256	0.9
245.21246	3.1
285.04239	1.0
329.14099	1.3
388.83875	0.9
407.26480	100.0
408.26901	9.7
509.23932	3.3
521.18707	1.6
527.25043	2.0
569.24713	5.4
569.32037	74.7
570.32813	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	569.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82107	1.3
56.30057	1.3
58.00470	3.2
59.01257	2.2
61.98701	24.6
71.01276	1.2
71.51504	1.4
79.31741	1.2
96.95855	1.8
97.06478	1.2
128.52875	1.4
202.20804	1.3
361.07184	1.5
377.28363	3.0
393.31583	3.2
403.30261	1.9
405.31866	1.9
423.32751	13.7
424.33014	2.3
439.32455	2.5
441.34048	2.8
457.33389	1.8
467.31705	5.8
469.33206	13.9
470.33621	3.0
487.34320	83.8
488.34625	14.1
569.34631	100.0
570.35175	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66320	1.1
55.65489	1.1
59.01230	1.4
61.98703	18.1
64.04685	1.1
64.93069	1.4
68.18781	1.0
70.47417	1.2
71.04899	2.7
71.52307	1.6
78.09766	1.1
78.95770	1.4
105.30595	1.2
126.84892	1.0
138.61035	1.1
152.56750	1.1
393.32068	2.0
423.32681	3.6
427.32120	1.9
467.31522	3.6
469.33231	23.6
470.33636	3.2
487.34277	90.0
488.34659	16.6
569.34607	100.0
570.35254	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	570.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.3
61.98703	100.0
62.98399	0.3
63.99158	0.2
71.01234	0.2
71.52102	0.2
71.52518	0.2
78.10841	0.2
78.95822	0.5
99.31604	0.2
125.09650	0.3
136.11472	0.2
136.54704	0.2
146.53720	0.2
152.99486	0.5
362.24219	0.2
439.32388	0.8
467.32013	0.4
485.32935	0.5
570.30212	2.1
571.29053	0.5
576.52478	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.1
61.98702	100.0
62.98390	0.2
71.01259	1.5
71.51889	0.3
73.02817	0.6
75.13840	0.2
78.95769	2.2
83.01279	0.3
85.02831	0.9
89.02319	0.3
90.05138	0.2
96.96844	0.2
97.06474	0.2
98.06760	0.2
101.02317	1.2
102.19791	0.2
105.03304	0.2
107.54447	0.2
112.07623	0.2
113.02322	0.6
117.03324	0.5
132.02084	0.4
133.02849	8.8
135.04417	1.3
137.02353	0.3
152.99481	2.3
153.99794	0.2
161.02351	31.9
163.03917	0.2
171.00417	0.2
171.10188	0.5
173.97336	0.2
179.03409	0.5
193.12254	0.5
194.12704	0.4
197.81993	0.2
208.36331	0.2
225.14980	0.8
226.15324	0.3
228.03510	0.2
243.15991	0.3
244.16376	0.2
263.14944	0.6
284.03433	0.2
341.23325	0.6
342.23700	1.4
343.24677	0.4
372.63348	0.2
409.20993	0.4
458.09494	0.2
570.27716	5.0
571.23560	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	570.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.3
61.98703	100.0
62.98404	0.2
69.22504	0.9
71.01259	0.8
73.02824	0.2
78.95329	0.2
78.95782	2.7
83.01290	0.1
84.02077	0.2
84.69350	0.1
85.02837	0.4
87.00774	0.1
88.22469	0.1
89.02341	0.4
96.95885	0.1
96.96851	0.2
97.02841	0.1
97.06476	0.8
98.06826	0.2
98.20589	0.3
99.00755	0.1
101.02344	0.4
108.02040	0.1
109.12485	0.1
113.02308	0.5
117.03395	0.1
119.04929	0.3
125.02335	0.1
132.02063	0.2
133.02846	0.5
135.04318	0.3
137.02368	0.2
145.02872	1.1
147.04433	0.1
150.03221	0.2
151.03839	0.1
152.99489	2.9
153.01930	0.1
153.99855	0.4
160.01575	0.4
161.02338	1.5
161.04449	0.2
162.02893	0.3
163.03967	0.4
165.05457	0.1
165.12663	0.1
171.00597	0.2
171.10214	0.5
172.10461	0.2
175.02609	0.2
175.03914	0.9
177.05511	0.1
179.03404	0.3
183.13850	0.1
193.05035	0.1
193.12289	0.7
194.12608	0.5
195.06598	0.4
201.97728	0.1
211.13351	0.3
213.14883	0.9
225.14861	1.0
226.15247	0.8
227.03133	0.2
227.16502	0.3
237.14934	0.2
243.16006	0.3
244.16338	0.2
255.16075	0.2
341.23468	0.8
342.23682	2.1
342.27621	0.2
343.24164	0.2
478.23224	0.1
570.27838	6.3
571.27930	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.3
57.03318	0.4
58.00461	0.3
59.01250	5.2
61.98703	34.8
62.98415	0.2
63.99121	0.2
69.03342	0.3
69.43346	0.6
69.43755	0.4
69.96829	0.2
71.01254	4.0
72.99171	0.4
73.02817	2.1
77.03868	0.2
78.95782	1.2
83.01256	1.2
85.02827	3.1
87.00759	0.3
87.09685	0.1
89.02313	0.6
92.17262	0.2
95.01288	0.5
95.04897	0.2
96.50900	0.2
97.02843	0.3
99.00748	0.6
99.04401	0.2
99.08029	0.4
101.02325	4.4
103.03923	0.3
105.03351	0.6
107.04879	0.2
108.02017	0.2
109.02861	0.2
109.06444	0.2
111.00818	0.2
113.02322	2.1
115.01830	0.2
117.03370	1.4
119.03397	0.3
123.04459	0.3
129.01802	0.3
132.02055	1.7
133.02855	30.5
134.03117	1.3
135.04422	4.2
137.02341	0.5
145.02847	0.4
152.99466	1.2
159.02867	0.2
161.02354	100.0
162.01323	0.3
162.02689	5.5
171.10081	0.3
178.02684	0.2
179.03421	1.5
193.12167	0.4
211.13097	0.2
213.14908	0.2
217.06599	0.4
225.14990	0.3
232.54175	0.1
249.15398	0.2
263.14996	1.9
316.03436	0.2
343.24780	0.9
409.20770	1.4
410.21167	0.2
571.23749	35.2
572.24048	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	571.2887
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
58.88106	0.7
63.29245	0.6
75.66220	0.6
78.95776	75.6
96.96844	16.0
98.63251	0.6
115.85390	0.6
151.59958	0.7
152.99493	68.6
153.99863	1.8
217.32542	0.7
223.00043	2.4
241.01146	35.1
242.01543	1.1
255.23267	80.5
256.13019	0.8
256.23611	7.9
259.02368	0.8
281.12561	0.7
315.04880	10.1
383.92667	0.8
391.22488	5.2
392.22876	0.8
409.23260	1.0
571.28870	100.0
572.20789	1.5
572.29205	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	571.289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00980	0.8
57.03313	0.9
59.01247	8.2
61.98381	1.1
61.98703	16.7
65.87218	0.6
69.03290	0.8
71.01253	3.7
71.51807	0.6
74.02345	1.1
78.95776	35.0
83.01218	1.0
83.04877	1.5
85.02842	1.3
87.05524	0.8
89.02312	1.4
92.06676	0.6
96.95878	2.5
96.96833	2.5
97.06448	1.4
99.05518	1.0
99.08046	6.7
101.02299	1.6
108.45898	0.8
112.03957	0.9
112.07531	0.8
113.02312	2.3
119.04986	1.2
121.10153	1.6
125.09627	1.7
127.11174	1.3
135.04382	1.2
137.02324	1.4
139.11208	1.8
140.07062	1.2
145.02863	0.9
152.99496	45.2
155.08179	1.2
161.02327	2.4
162.02789	0.7
165.06647	1.6
165.12740	1.2
171.00574	3.8
171.08768	1.2
171.10193	24.8
172.10486	1.3
177.01799	0.8
179.03519	1.3
183.07643	2.5
193.12276	14.9
197.15460	0.9
209.11749	1.1
211.13344	4.4
225.14903	18.5
226.15198	1.5
227.03362	3.6
227.06746	4.6
228.97096	0.7
239.15552	0.7
243.15970	6.6
245.04305	2.8
261.05499	5.8
293.21375	2.0
343.24860	40.9
344.25241	4.7
357.08432	1.0
446.47739	0.7
479.24338	1.5
571.28888	100.0
572.29211	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	571.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	4.3
61.98700	8.2
69.03329	1.4
70.01794	0.5
71.01242	1.5
71.52126	0.7
78.95776	35.5
83.04903	1.6
85.02834	0.8
89.02322	0.7
94.17411	0.5
96.95885	0.9
96.96838	3.0
97.06477	1.0
99.08031	9.4
113.02337	1.1
125.09608	2.6
127.05073	0.6
135.04388	0.7
137.09616	1.4
140.33659	0.6
149.13234	0.5
150.97939	0.7
152.99492	47.5
153.99792	0.6
161.02350	1.5
163.11186	0.6
165.12697	0.9
167.10754	0.5
171.00578	3.1
171.10170	11.4
175.11168	1.0
179.03377	0.7
183.13940	0.6
193.12268	17.1
194.12617	1.0
197.15520	0.7
209.11749	0.8
211.13315	4.2
212.13637	0.6
225.14908	24.5
226.15262	2.0
227.03236	3.8
227.06683	2.0
243.15956	9.7
244.16217	0.6
245.04228	1.7
246.65514	0.6
261.05621	2.5
271.18405	0.5
293.21240	1.3
311.22253	0.8
343.24878	42.3
344.25232	4.8
399.38171	0.5
479.24277	1.9
571.28882	100.0
572.29126	15.4
576.34705	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05371	0.5
58.73008	0.5
59.01240	3.1
61.98687	2.8
63.24073	0.6
67.69174	0.5
69.03320	1.3
69.16750	4.9
71.01261	1.5
78.95776	31.3
83.04893	1.4
85.02809	0.7
96.95866	0.7
96.96835	2.2
97.06464	1.0
99.08044	8.5
104.30529	0.5
113.02382	0.8
121.10110	0.9
125.09619	2.6
137.09650	1.0
148.93600	0.5
152.99493	42.7
153.09052	0.6
153.99898	0.7
161.02341	0.9
163.11328	0.6
165.12738	1.2
171.00601	3.6
171.10175	12.4
172.10532	0.7
193.12282	14.0
194.12595	1.3
197.15364	0.9
198.71964	0.6
209.11739	0.7
211.13313	4.0
225.14909	21.0
226.15240	1.3
227.03235	3.3
227.06895	0.7
243.16000	7.6
244.16330	0.8
245.04399	1.4
275.20029	0.6
293.21216	2.1
316.44241	0.5
340.41711	0.6
343.24881	42.0
344.25220	3.7
479.24191	1.3
571.28888	100.0
572.29248	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	571.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.0
59.01256	6.7
61.98700	11.4
69.03328	2.3
71.01255	4.4
73.02798	1.4
73.80930	0.8
75.80000	0.8
78.54754	0.7
78.95777	35.3
79.50808	1.0
80.72606	0.8
83.04896	1.3
85.02804	2.0
87.87457	0.7
88.99990	0.8
89.02338	1.5
93.03340	1.4
96.96851	3.2
97.06470	1.3
99.08030	10.8
101.02310	1.9
109.02779	1.1
113.02375	1.6
125.09599	1.3
133.02834	2.8
135.04401	1.8
137.02364	1.4
138.88043	0.9
139.11183	0.8
145.02846	1.0
152.99489	47.5
161.02365	9.7
165.12788	2.3
168.06540	0.8
171.00583	2.7
171.10190	6.3
175.03839	0.9
179.03430	1.0
184.38730	0.8
193.12279	15.3
194.12595	1.3
211.13365	2.9
225.14923	24.6
226.15259	1.4
227.03235	4.3
243.16035	8.1
245.04356	1.7
278.59528	0.9
293.21280	2.4
311.22272	1.8
343.24890	40.4
344.25238	6.1
479.24042	1.7
496.08670	1.0
565.69513	0.9
571.29016	100.0
572.29413	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	571.312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23885	1.2
57.55472	1.2
59.01249	42.8
61.31501	1.2
61.98710	11.4
63.62082	1.1
66.64182	1.3
69.35450	6.9
69.35866	2.6
71.01244	2.7
72.36443	1.2
73.02816	1.3
74.96904	1.2
78.95784	6.2
83.01264	1.9
83.04897	4.7
96.95905	2.0
101.02351	2.4
113.02316	1.4
117.03346	8.5
119.04887	6.1
121.02812	1.6
145.02849	21.6
152.99487	3.4
163.03926	8.7
163.11218	2.9
165.12807	2.2
171.10181	7.2
171.11469	1.2
209.11766	100.0
210.12167	7.8
227.12865	9.7
246.03421	1.4
250.76503	1.2
357.39444	1.2
571.24323	7.3
571.33191	4.7
572.24878	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	572.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41534	0.1
50.51229	0.1
52.14690	0.1
59.01257	0.6
59.90716	0.1
61.98703	100.0
62.98410	0.2
71.52615	0.2
78.95791	0.4
96.95930	0.2
116.92714	0.2
125.09663	0.1
129.10425	0.2
135.04395	0.2
150.73434	0.1
152.99474	0.3
171.10216	0.1
172.32814	0.1
172.77844	0.1
228.02107	0.1
355.35361	0.1
365.19458	0.1
572.31873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3203
Annotation	Canescensterone
Peak:m/z	Relative Intensity
54.98072	0.4
59.01252	0.4
61.98703	100.0
69.47321	0.4
70.00635	1.5
83.12587	0.4
90.92472	0.3
95.78552	0.4
96.95881	0.4
120.37921	0.4
126.12286	0.4
126.32132	0.5
141.59857	0.4
175.25548	0.4
175.56923	0.4
187.09772	0.4
194.61658	0.4
235.14761	0.5
267.47006	0.4
319.10181	0.4
393.31262	0.6
411.28876	0.4
421.50671	0.4
423.32697	1.7
424.32895	0.6
441.33463	0.7
467.31854	0.6
469.33005	0.9
487.34427	2.8
488.34924	0.6
572.31989	62.9
573.32349	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	574.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	0.2
57.74946	0.2
59.01255	2.2
61.98703	100.0
67.41846	0.2
69.48248	0.2
71.01267	0.9
71.31787	0.2
72.99204	0.2
73.02824	0.3
78.95788	0.4
85.02828	0.9
89.02311	0.2
95.01277	0.4
99.00780	0.4
101.02303	0.3
107.42100	0.2
113.02326	1.2
114.36990	0.2
117.03283	0.4
119.04911	0.5
123.04405	0.9
133.02872	0.3
145.02834	1.3
146.03229	0.2
153.05470	1.7
161.02364	0.5
163.03957	0.3
175.02444	0.6
233.19907	0.2
247.79684	0.2
255.02957	0.8
267.62726	0.2
283.02521	0.2
284.03305	0.4
363.25916	0.2
381.09769	1.0
399.10803	0.9
414.70517	0.2
459.64676	0.2
471.31995	0.3
503.33759	0.4
515.30573	0.6
521.96094	0.2
557.13208	0.4
575.31091	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10029	0.2
58.31028	0.1
59.01243	0.5
61.98701	100.0
62.98399	0.2
62.99146	0.2
68.04477	0.1
69.36007	0.2
78.95792	0.2
88.74967	0.2
92.61287	0.1
195.16859	0.1
201.09132	0.2
457.14832	0.2
463.29269	0.2
570.47095	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26290	0.3
57.03331	2.1
58.00440	0.6
59.01252	7.5
61.98685	1.0
63.02267	2.0
65.00196	5.5
68.99674	0.4
70.38683	1.0
71.00898	0.6
71.01254	7.7
72.99173	1.9
73.02811	1.0
75.00743	2.5
81.03329	0.5
83.01256	3.6
85.02821	11.1
86.03178	0.4
87.00750	2.1
89.02308	1.8
95.01266	2.9
99.00760	4.2
101.02326	1.4
103.00240	1.4
107.01269	7.5
109.02805	0.4
111.00752	0.5
113.02329	14.8
115.00229	0.6
117.01794	1.4
119.03398	0.4
119.04943	0.8
120.89967	0.3
121.02864	0.4
123.04400	1.6
124.01546	1.0
125.02348	7.6
129.01813	0.6
133.02867	0.4
137.02335	0.9
139.00217	0.5
145.02879	0.7
151.00279	22.0
152.00623	0.8
161.02356	1.3
165.01845	0.6
167.03384	3.1
169.01360	0.4
172.05246	0.8
173.05986	0.5
175.02405	4.1
177.01874	0.7
179.03392	0.4
184.32254	0.4
185.05946	1.7
186.06758	2.4
196.05260	0.6
198.03049	0.4
200.04587	0.7
200.08322	0.6
201.09138	6.2
202.09569	0.5
211.07585	3.3
212.04706	0.6
213.05391	0.9
214.06204	0.7
224.04668	0.6
226.02641	0.6
227.07059	0.7
229.08653	7.8
230.08896	0.9
239.03343	0.4
240.04193	0.8
253.08554	0.6
255.06615	4.5
264.04077	0.4
265.04578	0.4
266.05734	1.1
277.08682	0.7
279.06558	1.9
280.07404	0.4
284.03275	0.5
293.08203	0.8
295.09561	0.9
300.71954	0.5
306.05380	0.5
308.03238	1.1
308.46677	0.4
309.04034	7.4
310.04440	0.6
319.09683	0.7
320.06946	0.6
324.06009	0.5
334.04828	0.5
335.09314	0.7
337.07104	4.2
338.07605	0.7
353.10248	1.0
363.08734	8.3
364.09131	1.1
381.09781	100.0
382.10086	13.8
399.10736	1.4
495.34137	0.4
539.11884	0.6
539.30408	2.1
540.31134	0.5
551.11566	0.4
557.12988	40.6
558.13336	7.9
575.14020	0.6
575.27301	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28355	0.2
55.01749	0.2
57.03317	0.7
58.00462	0.5
59.01249	7.5
61.98698	1.2
71.01254	7.6
72.99181	0.8
73.02824	0.9
75.00746	1.0
79.14700	0.2
83.01283	0.4
85.02822	6.7
87.00764	0.9
88.85359	0.2
89.02319	3.6
93.03339	0.4
95.01269	2.0
99.00764	1.5
101.02308	2.6
103.00252	0.6
103.03886	0.3
104.79484	0.2
109.02897	0.2
111.00763	0.2
113.02330	13.1
114.02686	0.5
115.00225	0.3
115.07530	0.3
117.03349	22.1
118.03705	0.8
119.03412	0.9
119.04914	5.8
121.02878	0.3
125.02382	0.3
131.21710	0.2
133.02853	0.7
134.03673	0.3
135.04448	0.3
137.02350	0.6
137.29112	0.2
143.03421	0.4
145.02853	100.0
146.03204	4.5
160.01604	0.4
161.02371	1.0
161.04448	1.5
162.04828	0.2
163.02536	0.3
163.03915	6.4
164.04245	0.5
167.85745	0.2
175.02423	2.0
175.03844	0.3
178.02686	0.2
179.03394	0.5
179.05624	0.3
229.64647	0.2
255.02965	5.1
256.03427	0.4
283.02444	2.0
283.11862	0.6
284.03311	1.0
285.04071	0.6
381.09775	5.4
382.09982	0.6
394.25940	0.7
395.26169	0.6
399.10858	5.2
400.11295	0.6
429.17746	1.4
465.26865	1.1
468.81985	0.3
551.25262	0.2
557.12909	1.0
574.35706	0.5
575.14209	0.6
575.21271	12.9
575.30139	0.8
576.21619	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	575.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61522	0.3
59.01247	1.7
61.98697	1.5
70.28210	1.1
71.04900	1.8
73.98190	0.8
74.98972	79.9
75.99303	0.6
78.95792	0.5
113.96913	0.4
174.94319	0.4
204.24750	0.4
304.53372	0.4
324.18631	0.5
395.29715	0.8
411.32504	0.8
437.30530	10.7
438.30930	1.7
455.31665	100.0
456.31992	19.4
481.75281	0.4
513.30194	0.5
557.26685	0.5
575.30450	19.6
576.30719	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	575.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28628	0.4
59.01257	13.4
61.98713	0.5
71.01258	2.8
71.22834	0.6
72.99193	0.4
73.02813	1.0
78.95772	1.2
83.01233	0.4
85.02823	0.7
85.72386	0.4
87.00732	0.6
89.02312	2.1
95.01244	0.3
101.02324	2.3
101.23129	0.4
113.02332	1.1
115.03912	0.4
119.03351	0.7
128.05974	0.4
133.04907	0.4
152.99500	0.7
153.03720	0.4
161.04463	0.9
195.13663	0.4
195.16676	0.4
209.11839	1.7
235.08212	1.3
253.09294	12.8
254.09619	0.7
279.23294	100.0
280.23621	10.1
281.44125	0.5
291.19757	2.0
293.21268	0.8
454.15808	0.4
509.72183	0.4
575.29828	1.3
588.22839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19409	0.3
57.01117	0.3
59.01253	17.6
61.98700	0.5
69.49622	2.1
71.01248	2.7
73.02814	0.7
76.03209	0.3
78.95788	0.7
83.01263	0.5
85.02823	0.6
87.00768	0.3
89.02306	2.8
95.01286	0.4
97.02795	0.3
101.02329	3.4
113.02335	1.4
119.03389	0.7
145.02840	0.3
154.99962	0.3
161.04469	1.1
203.12781	0.7
207.10417	0.3
225.11185	0.7
235.08234	1.5
253.09270	13.3
253.11920	0.7
254.09572	0.7
279.23285	100.0
280.23605	11.2
293.21277	0.6
375.17386	0.3
526.04620	0.4
575.29980	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52234	0.2
59.01245	0.6
61.98703	100.0
63.62931	0.2
63.96117	0.3
70.46812	0.3
71.01254	1.3
73.02821	0.5
78.98451	1.1
79.95614	2.0
80.96391	12.7
85.02852	0.8
86.80426	0.2
87.00753	0.5
90.32028	0.2
94.97959	3.1
98.19775	0.5
101.02325	0.4
106.97987	0.8
122.97506	0.5
125.02339	0.7
134.97467	1.1
141.47675	0.2
148.99045	0.8
152.98532	1.4
161.72580	0.2
164.98546	2.0
212.61229	0.2
225.00706	2.7
277.21817	0.8
278.22095	0.9
279.22397	0.7
280.22638	0.2
299.04425	0.5
309.77228	0.2
311.73660	0.2
561.43164	0.2
577.26874	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	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30658	0.3
61.98701	100.0
69.38424	2.2
80.96406	1.4
93.09644	0.3
229.08031	0.3
246.83516	0.3
248.14948	0.3
304.14435	0.4
346.40881	0.3
531.68945	0.4
577.26715	1.8
599.14868	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76632	0.4
57.44349	0.4
59.01251	28.6
61.98689	1.2
63.26042	0.4
70.90369	0.9
71.01240	0.9
78.95775	25.7
80.96387	4.0
83.69083	0.4
94.97959	1.0
122.98392	0.6
152.99483	3.9
161.02342	0.8
168.04201	4.2
224.06877	11.2
225.00702	1.0
242.07892	2.5
259.20621	0.6
275.20313	0.8
277.21710	100.0
278.22025	10.1
283.53555	0.5
321.99078	0.6
352.28491	0.5
502.29407	76.3
503.29660	13.9
573.82483	0.5
577.26868	5.2
584.00140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84921	0.2
59.01252	19.3
61.98699	0.4
64.40626	0.2
71.01269	0.2
78.95778	7.2
96.96004	0.2
96.96825	0.3
123.68220	0.2
125.26328	0.2
127.07551	0.3
139.04980	0.2
152.99451	1.5
161.02330	0.5
165.58670	0.2
168.04231	2.1
224.06827	1.1
233.22758	0.3
242.07980	3.6
259.20673	0.2
275.20245	0.3
277.21722	100.0
278.19012	0.4
278.22073	9.3
502.29425	29.3
503.29788	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65547	0.4
55.01750	1.4
55.31661	0.3
56.92068	0.3
57.03327	1.3
58.00465	1.0
59.01250	19.6
61.98711	0.6
69.03323	0.7
69.58792	1.2
69.59202	0.8
71.01254	19.0
72.99177	1.5
73.02820	4.0
75.00740	1.2
78.86191	0.3
81.03329	1.5
82.42719	0.4
83.01256	1.7
83.04875	0.5
84.01956	0.4
85.02821	9.7
87.00732	1.2
87.04379	0.5
89.02319	11.8
93.03329	1.3
95.01249	3.3
95.04893	1.0
97.02831	2.0
99.00744	2.5
99.04376	0.6
101.02325	12.9
107.04894	1.1
108.02055	40.7
109.02850	24.0
109.06485	0.9
110.03178	0.9
111.00761	0.6
111.04407	1.2
113.02336	8.4
119.03407	4.4
119.04889	1.7
121.02837	1.4
121.06498	0.6
122.03616	1.6
123.00774	1.3
123.04408	2.0
124.01543	0.7
125.02331	1.7
129.01785	0.7
131.03394	0.6
133.02829	1.4
135.04419	1.3
136.05183	0.8
137.06003	1.2
139.07515	1.3
143.03346	1.9
145.02817	0.8
145.06529	0.6
149.04411	0.4
149.05930	0.7
151.03926	1.4
152.01057	55.1
153.01857	18.1
154.02150	0.7
159.02905	1.2
161.02377	2.5
161.04446	4.6
163.03906	4.8
163.07584	0.5
165.01837	1.3
165.05513	0.6
168.07948	0.4
174.14368	0.4
179.03450	1.4
179.05493	2.6
187.11208	3.3
189.05597	0.4
189.09114	1.2
195.03018	0.5
203.10663	0.5
205.10579	0.4
205.12239	2.4
213.09103	0.9
216.07779	0.6
231.10226	1.7
235.08223	0.7
235.17064	0.5
269.04507	1.2
297.06177	0.7
315.07227	12.2
316.07718	0.9
357.19269	0.5
373.12997	0.4
373.22202	0.5
415.23502	4.3
473.70450	0.4
497.74286	0.5
502.15268	0.4
517.26849	1.0
535.27930	2.1
536.28229	0.4
577.19348	100.0
577.28406	12.2
578.19617	19.2
578.28619	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96400	0.3
55.01759	0.9
57.03317	0.7
59.00953	0.6
59.01252	10.2
61.98686	2.0
69.36047	2.6
71.01254	9.1
72.99173	0.8
73.02814	3.4
77.03844	0.4
77.31300	0.4
83.01256	1.4
85.02828	5.7
87.00739	0.9
89.02322	2.0
89.03833	0.6
95.01254	0.5
97.02818	0.6
99.00762	1.8
101.02318	6.9
103.03876	0.6
105.03338	0.6
111.59532	0.3
113.02328	4.2
117.03342	2.7
119.03393	0.6
119.04888	0.7
123.04379	0.4
132.02065	1.7
132.88013	0.3
133.02847	32.5
134.03203	0.7
135.04430	6.9
137.02411	0.4
143.03400	0.5
144.06743	0.3
145.02841	1.6
160.01530	0.3
161.02348	100.0
161.04517	2.8
162.02673	5.2
163.03906	0.6
175.00238	0.5
179.03456	1.7
180.43901	0.3
190.02629	1.5
205.04982	1.6
256.54123	0.4
268.48007	0.4
269.10281	1.5
270.01700	0.6
415.15982	1.6
431.13394	1.0
577.19220	69.5
577.26538	3.7
578.19550	12.3
578.28412	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.5
57.03320	0.6
57.72251	0.2
59.01249	6.3
61.98696	0.8
69.37862	0.9
69.38289	1.1
71.01247	4.9
72.99188	0.5
73.02802	2.1
73.85703	0.2
77.03848	0.4
77.39530	0.2
83.01262	1.1
84.80059	0.2
85.02823	4.0
86.49034	0.2
87.00770	0.3
89.02328	0.9
92.40118	0.2
95.01263	0.5
97.02815	0.4
99.00747	0.9
101.02316	4.8
103.03201	0.2
103.03836	0.6
105.03346	0.5
107.84956	0.2
109.02896	0.2
113.02333	2.5
115.01773	0.4
116.13860	0.2
117.03354	1.9
119.04890	0.3
120.64309	0.3
123.04414	0.5
129.81111	0.2
132.02083	1.7
132.91643	0.2
133.02853	28.9
134.03223	0.9
135.04419	3.8
136.04727	0.3
137.02312	0.5
145.02859	0.9
145.17508	0.2
159.02863	0.4
160.01585	0.3
161.02353	100.0
162.02693	5.6
163.03932	0.5
175.02391	0.3
179.03418	1.3
193.05035	0.2
198.63313	0.2
213.51736	0.2
224.58707	0.2
269.10229	1.4
415.16095	2.1
577.19220	26.5
577.27100	1.3
578.19647	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	577.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21786	0.1
55.01752	0.4
55.51189	0.1
57.03322	0.4
58.00462	0.3
59.01250	4.9
59.96531	0.1
61.98699	0.1
67.67693	0.1
69.03342	0.2
69.29505	0.8
71.01252	4.9
72.99168	0.2
73.01968	0.1
73.02818	2.3
75.00744	0.1
77.03843	0.2
81.03349	0.1
83.01250	0.9
85.02823	3.6
86.03149	0.1
86.13988	0.1
87.00761	0.3
89.02312	0.8
89.03844	0.3
95.01254	0.4
95.04903	0.1
97.02821	0.1
98.19824	0.2
99.00774	0.7
101.02320	4.0
102.02705	0.1
102.05485	0.3
103.03893	0.4
105.03356	0.6
107.29459	0.1
109.02813	0.2
113.02321	2.2
117.03343	1.3
119.03435	0.1
119.04892	0.2
121.02891	0.2
123.04382	0.5
128.03409	0.3
129.01729	0.1
132.02060	1.8
133.02847	31.7
134.03105	1.4
135.04411	4.2
136.04765	0.2
137.02341	0.3
143.03363	0.2
145.02834	0.3
159.02904	0.4
160.01514	0.2
161.02347	100.0
162.02682	4.7
163.03951	0.2
178.02657	0.2
179.03410	1.4
269.10275	1.5
270.10843	0.2
305.06778	0.1
346.64612	0.1
415.16019	1.8
416.16336	0.2
449.27472	0.2
576.34418	0.1
577.19226	29.8
578.19598	5.6
578.31409	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44720	0.4
55.01756	0.9
57.03320	0.9
58.00467	0.6
59.01248	8.9
59.41655	0.4
61.98705	2.6
64.21227	0.4
71.01253	9.5
71.73203	0.4
72.99171	2.8
73.02824	3.0
75.00732	0.7
83.01262	3.4
85.02821	4.4
87.00733	0.9
88.98680	1.5
89.02323	3.0
93.03352	0.5
95.01276	1.2
97.02824	0.8
99.00748	1.8
99.04394	0.5
101.02317	6.6
102.05491	0.7
108.02057	1.1
109.02844	1.3
113.02330	3.8
117.03347	28.5
118.03664	1.2
119.03401	1.7
119.04917	18.9
120.05218	0.8
121.02809	0.7
123.04423	0.4
125.02336	0.8
127.00274	0.6
128.03416	0.8
133.02852	0.8
135.04329	0.4
137.02379	0.9
143.03439	0.9
145.02853	100.0
146.03197	4.3
146.04390	0.7
151.00270	0.5
152.01077	1.9
153.01880	0.6
159.02863	0.8
160.01570	0.7
161.02351	2.0
161.04453	1.5
161.05910	0.8
163.03914	26.5
164.04254	0.8
167.03392	0.8
178.02980	0.4
179.05641	0.7
205.05022	1.1
214.16011	0.4
265.07156	0.6
269.10223	0.5
307.08234	2.2
369.09760	0.4
383.10480	0.7
431.16135	0.4
489.27008	1.0
517.26526	0.9
535.27856	0.9
535.71973	0.4
559.14172	0.7
577.19318	43.8
577.28351	6.6
578.19568	7.6
578.28534	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	3.1
57.03313	3.7
58.00460	3.5
59.01248	82.4
61.98693	4.6
69.34175	5.0
69.34593	2.7
71.01252	49.1
72.01601	1.2
72.99180	13.8
73.02818	6.5
75.00752	2.7
76.52959	1.0
81.03326	8.1
83.01257	28.9
83.04890	1.1
85.02824	13.2
87.00745	3.3
87.04386	2.9
89.02316	47.5
93.03340	4.1
95.01263	4.5
96.95876	2.2
97.02823	4.3
98.19683	1.0
99.00755	8.9
99.04397	10.4
101.02320	69.4
109.02855	2.0
111.04423	2.2
113.02323	22.3
117.03313	1.7
119.03382	23.9
119.04887	1.4
120.17329	1.3
121.02861	1.3
125.02318	11.0
126.99403	1.9
127.00264	20.4
128.00578	1.1
131.03374	2.8
135.04410	2.4
137.02339	3.4
143.03401	6.1
145.01338	28.4
145.02916	2.4
149.04465	3.6
151.00272	2.4
151.03995	1.7
156.53366	1.0
161.02362	4.6
161.04439	5.3
165.12682	1.6
179.03438	2.5
179.05518	9.2
181.04947	4.0
187.02426	1.6
207.13875	5.2
209.11772	10.5
210.12119	1.5
217.03439	1.7
225.14885	3.5
247.04546	9.4
251.12773	2.2
267.12054	1.3
269.04538	2.8
269.13934	26.4
270.14270	2.7
285.04013	3.5
287.15042	1.2
289.80811	1.1
307.06653	24.1
308.06918	1.5
311.10330	1.3
376.80820	1.1
397.18369	1.4
411.60736	1.1
415.23215	6.3
449.20087	9.0
450.20352	1.5
487.29739	1.2
533.22546	3.7
577.21240	100.0
577.28888	27.5
578.21552	20.4
578.29218	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33649	0.4
57.03336	0.4
59.01244	1.0
61.98702	21.4
62.98425	0.5
63.96102	1.0
69.03319	0.6
70.19207	0.8
70.19601	1.0
71.01257	7.8
72.01594	0.4
73.02830	1.8
75.65220	0.4
78.98461	6.5
79.95606	10.6
80.96391	75.1
81.03322	0.6
85.02823	3.2
87.00745	2.7
92.81833	0.3
94.97961	15.8
95.01225	0.5
96.95904	1.2
97.02863	1.7
99.00776	0.6
99.04370	0.4
101.02324	2.2
103.30012	0.3
106.97971	3.4
122.97479	2.6
125.02351	2.7
127.03920	0.8
134.97475	4.7
136.99083	1.9
148.99054	5.8
152.98544	6.3
155.93954	0.4
159.07359	0.4
164.98552	12.5
206.99661	2.0
221.99620	0.4
225.00708	14.2
277.21741	1.6
282.01666	0.3
299.04449	3.0
309.34839	0.4
347.26059	0.4
577.26868	100.0
578.27222	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	577.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.8
63.96120	1.0
66.82536	0.3
69.03337	0.7
71.01256	7.6
71.76737	0.3
73.02818	1.6
78.98460	5.9
79.95611	10.5
80.96394	69.4
81.03333	0.8
81.96360	0.4
85.02826	3.0
87.00759	2.5
94.97966	16.6
96.95890	1.0
97.02827	1.9
98.19746	0.6
99.00783	0.7
99.52859	0.3
101.02314	2.2
106.97959	3.3
120.21755	0.4
122.97482	5.4
125.02295	2.7
127.03877	0.9
134.97487	4.6
136.99046	1.4
142.67326	0.4
148.97951	0.6
148.99055	6.5
149.03966	0.3
152.98550	7.4
164.98546	12.7
167.00168	0.4
182.99640	2.3
206.99622	3.0
225.00708	16.7
226.01105	0.4
243.01825	1.4
277.21652	2.1
299.04401	3.6
317.05374	0.5
350.62015	0.4
389.65680	0.4
577.26880	100.0
578.27234	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	577.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71713	0.8
55.01751	3.4
57.03320	3.5
58.00471	5.7
59.01252	100.0
60.01587	1.8
61.98696	2.9
66.24842	1.0
69.03323	1.7
71.01255	94.8
71.04897	1.0
72.01584	1.5
72.99179	16.4
73.02824	12.7
75.00744	3.2
78.34370	0.9
81.03325	2.8
83.01259	8.3
83.04888	1.4
84.02062	1.2
85.02824	30.3
87.00774	4.5
89.02315	72.2
90.02654	1.7
93.03321	2.3
95.01259	6.8
96.95866	1.0
97.02856	1.2
97.06428	0.9
98.19816	2.8
99.00744	6.8
99.04393	4.3
101.02323	59.6
102.02671	2.1
103.97557	0.8
105.92561	0.9
111.00740	1.9
113.02334	34.1
114.02701	1.3
119.03390	36.1
119.04743	1.5
125.02332	2.7
127.00213	1.0
129.01814	2.4
130.34752	0.9
131.03397	3.2
133.02859	1.7
133.28659	0.9
135.04433	2.9
137.02309	1.7
139.79013	0.9
143.03430	7.8
149.04430	3.0
149.95691	0.9
159.02893	2.0
161.02344	4.0
161.04466	22.1
179.03424	2.8
179.05545	13.6
197.15607	0.9
198.63631	0.9
205.03300	0.9
235.17053	2.0
253.17963	1.2
280.54059	0.8
340.52979	0.8
354.17950	0.8
397.22470	4.2
415.23346	27.6
416.23758	3.6
422.71759	1.2
577.28619	94.8
578.29095	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	577.2869
Annotation	Atractyloside G 2-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.58426	0.7
55.01755	2.2
57.03316	2.4
58.00469	5.2
59.01247	96.8
60.01581	1.5
61.61739	0.8
61.98701	4.7
69.03336	0.8
69.73805	2.7
71.01250	85.8
72.01592	0.9
72.99172	9.5
73.02817	5.9
74.02367	1.0
75.00744	3.1
78.95785	2.1
81.03304	0.8
83.01249	6.1
83.70608	0.7
85.02823	16.9
87.00743	5.5
89.02315	100.0
90.02664	1.8
93.03323	2.3
95.01247	5.9
96.36331	0.7
96.95889	29.3
96.96830	1.7
99.00750	3.3
99.04354	0.7
101.02320	50.4
102.02683	0.7
108.02051	1.8
108.52145	0.8
111.00729	1.3
113.02325	37.0
114.02629	0.8
117.03308	1.2
119.03384	39.7
119.04898	2.5
125.02357	1.7
131.03394	3.5
133.02844	3.2
134.03606	1.4
135.04416	2.9
136.01537	1.6
137.02335	2.9
143.03413	6.8
145.02864	4.1
149.04478	3.7
149.56549	0.7
151.03902	1.7
152.01071	2.1
159.02829	1.2
161.02361	8.9
161.04443	11.6
161.05795	1.1
163.03915	2.5
165.05482	1.0
167.03418	3.4
175.03914	1.7
179.03479	2.3
179.05528	20.0
189.05463	0.9
191.07137	0.9
193.04993	1.3
221.06621	1.1
241.08530	1.0
249.11214	0.8
259.50888	0.8
269.04568	0.9
313.56271	0.8
353.06628	1.2
356.12711	1.5
397.22232	2.8
415.23349	11.6
415.83408	0.9
416.23917	1.6
473.15518	1.3
479.21185	2.6
533.20288	1.0
577.19452	6.0
577.28632	63.7
578.20306	1.4
578.28992	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	577.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.6
59.01253	100.0
60.01569	0.9
61.98711	4.8
69.42381	3.1
69.42816	3.8
69.84762	0.8
71.01254	5.6
73.02810	3.2
78.95848	1.0
79.37071	0.9
82.61861	0.8
83.01292	1.0
83.04909	1.7
85.02814	2.8
89.02325	2.6
96.38129	0.8
99.00784	1.0
101.02331	2.5
110.94413	0.8
113.02280	2.5
117.03362	2.9
118.03670	1.2
119.03397	1.1
119.04896	2.0
133.02829	4.1
137.02403	0.9
143.08577	1.1
145.02863	10.8
146.03172	3.7
161.02362	8.5
161.04385	1.1
162.02718	1.4
163.03944	1.8
165.05484	1.8
175.03900	1.1
179.03328	1.1
183.11702	1.7
190.02635	1.5
205.04916	2.6
225.14948	1.1
253.09233	3.0
269.04453	2.3
270.01797	2.7
297.46860	1.0
341.23203	8.1
342.23792	1.1
355.24405	1.4
362.60843	0.9
371.27551	2.1
373.25287	1.1
389.24554	1.4
391.26669	1.6
401.24866	1.2
402.25504	1.4
405.27991	2.0
407.25836	1.8
417.28067	3.5
419.25864	7.5
420.25952	1.5
421.27524	2.5
422.28043	1.2
425.30499	3.2
427.28711	1.7
435.28946	4.1
437.30627	27.5
438.31015	5.1
439.28503	14.3
440.28970	1.7
443.31702	2.6
451.28473	4.1
452.28595	1.0
453.30307	20.0
454.30408	3.6
455.31714	9.9
456.31924	2.3
457.29507	1.6
469.29526	17.3
470.29785	3.1
473.32608	7.0
474.33151	1.5
485.29367	1.3
487.30588	16.0
488.31052	3.3
517.31708	56.3
518.32019	10.5
577.15497	2.5
577.26459	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	577.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38758	1.1
50.41905	1.1
55.42189	1.0
56.96056	1.0
59.01250	13.7
61.61117	1.5
64.54131	1.1
65.82359	1.0
66.23669	1.2
71.01258	3.3
71.51422	1.1
85.02848	1.1
89.02330	2.8
101.02328	3.0
138.84891	1.2
147.74228	1.3
161.02341	1.4
161.04460	1.2
176.05357	1.2
209.11746	2.9
253.09244	11.6
267.12103	1.2
281.24857	100.0
282.25183	10.8
293.21133	2.5
295.22955	2.8
299.40936	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31132	0.6
55.01753	0.8
57.03304	1.2
59.01254	10.7
61.98709	5.6
65.12465	0.6
67.43418	0.7
68.80373	0.5
71.01257	9.2
72.99162	1.9
73.02806	2.3
74.02329	1.2
75.00740	0.7
75.14517	0.7
83.01251	2.0
84.04391	1.5
85.02825	4.6
87.00739	1.5
89.02306	2.5
99.00775	1.0
101.02331	5.7
102.05488	26.4
111.00770	0.9
113.02348	2.2
119.04948	0.7
123.04384	0.7
128.03430	40.3
129.03725	1.1
132.02049	2.0
133.02808	1.1
134.03619	2.3
135.04454	0.7
137.02347	1.0
145.02829	1.7
146.04480	8.0
160.01581	9.8
161.02301	0.8
162.02550	0.7
175.03940	10.3
193.05029	2.0
234.36832	0.6
269.21198	1.7
287.22275	13.8
288.22559	1.7
372.27621	0.8
431.26590	3.1
449.27560	27.5
450.27734	4.6
534.32648	2.5
535.33130	0.6
536.61249	0.7
560.30554	4.6
561.31317	1.4
578.31836	100.0
579.24213	12.5
579.32220	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	578.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02386	0.8
59.01253	23.3
61.98706	9.1
63.20451	0.7
63.99085	0.9
71.01241	1.4
71.51565	0.7
78.95777	25.3
79.95579	1.3
80.96391	7.0
94.97949	1.6
96.96836	0.8
115.22616	0.7
152.98450	0.8
152.99507	2.0
164.98650	1.1
168.04222	4.0
186.95642	0.7
224.06851	9.7
225.07170	0.8
236.04840	0.7
242.07979	2.1
246.63472	0.9
279.23291	100.0
280.23611	9.4
504.30994	67.8
505.31375	9.4
578.27112	10.6
579.27460	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	579.1718
Annotation	5,7,4'-Trihydroxyflavanone 4'-O-rutinoside
Peak:m/z	Relative Intensity
55.01746	3.2
57.03313	3.9
58.00452	2.7
59.01250	62.9
61.98688	4.9
63.02271	1.8
65.00191	11.8
67.60405	0.9
69.16132	4.0
69.16568	4.7
71.01253	65.1
72.99177	4.4
73.02437	1.3
73.02819	11.8
73.03748	0.9
73.74085	0.9
75.00731	1.4
81.12421	1.0
83.01256	13.3
84.55316	0.9
85.02820	24.0
87.00751	4.0
87.81716	1.0
89.02315	36.2
93.03318	6.2
95.01266	5.5
99.00756	4.5
101.02323	38.5
107.01267	20.0
108.02094	4.4
109.02833	3.9
111.00787	2.0
113.02330	24.8
117.03316	1.3
119.03403	14.1
119.04906	36.4
121.02854	1.4
123.00748	2.8
125.02335	4.1
129.01816	2.9
131.03371	1.3
133.02872	1.4
133.31569	1.0
135.04411	3.4
136.01524	2.0
137.02327	5.3
143.03418	3.7
145.02878	5.0
149.02391	1.6
149.04451	1.1
151.00273	90.0
152.00853	3.4
159.02911	3.5
161.02338	3.2
161.04445	11.2
164.01115	1.5
165.01849	4.4
166.02629	19.5
167.03264	1.4
169.01352	1.6
175.00298	1.3
177.01854	6.1
179.03342	2.5
179.05525	4.4
181.04987	19.6
182.05293	1.1
185.06041	2.2
187.03908	1.8
193.01273	2.8
196.00116	1.2
203.07045	1.4
227.07001	1.7
235.02478	1.8
269.04553	1.5
270.04956	1.9
271.06119	52.9
272.06546	5.1
281.92261	1.0
313.07117	1.8
339.07257	1.1
343.21194	1.8
351.05457	1.2
368.46521	1.0
379.12000	1.7
387.10886	4.0
399.20108	13.5
400.20309	1.7
402.13052	2.7
417.10306	1.8
417.15686	30.5
417.24802	30.8
418.15894	3.4
418.25452	1.9
427.84302	1.2
459.11523	18.6
460.11557	1.6
549.74365	1.1
579.17206	70.0
579.30103	100.0
580.17236	10.5
580.30811	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	579.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.1
57.03322	4.1
58.00466	2.8
58.36092	1.2
59.01251	56.9
61.98708	3.4
65.00198	4.2
71.01254	51.6
72.99177	3.0
73.02824	9.4
79.61175	1.2
82.71485	1.3
83.01262	9.7
84.71145	1.2
85.02827	18.1
87.00758	2.9
89.02322	37.0
91.16770	1.1
93.03342	4.3
95.01282	4.9
98.20520	2.3
99.00769	4.7
101.02330	33.5
107.01278	9.0
108.02058	1.8
109.02828	2.6
111.00828	1.3
113.02336	21.5
118.20847	1.1
119.03408	13.6
119.04920	18.9
120.03808	1.1
121.02793	1.3
123.00820	2.3
123.04458	1.3
125.02338	5.2
127.27690	1.2
129.01842	2.7
135.04482	1.8
137.02357	7.3
138.06474	1.2
143.03416	2.9
145.02875	2.7
149.02271	2.0
151.00273	61.9
152.00790	3.5
152.04643	1.6
159.02959	1.8
161.02332	3.8
161.04494	12.0
165.01791	2.6
166.02634	51.0
167.03200	3.8
177.01866	5.7
179.03464	3.1
179.05496	5.4
181.04988	75.9
182.05350	3.2
187.03902	1.8
190.06268	1.8
193.01190	1.4
193.04953	1.5
207.06619	2.3
214.21985	1.2
235.02390	1.9
269.04553	1.8
271.06143	30.0
272.06467	2.8
284.72751	1.2
301.01627	1.1
359.11276	1.9
372.67624	1.3
379.12115	3.4
379.62207	1.4
387.10748	14.3
388.10736	1.5
399.20172	11.5
400.20605	1.3
402.13086	7.3
417.15567	100.0
417.24500	25.3
418.15930	14.1
418.25137	2.5
455.27698	1.5
459.11679	8.4
579.17242	36.4
579.30182	97.6
580.17505	7.4
580.30487	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	579.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65038	0.4
55.01768	1.9
57.03323	1.7
58.00465	2.8
59.01252	53.1
60.01582	0.9
61.98708	5.7
71.01253	30.9
72.01594	0.7
72.99181	2.6
73.02818	4.8
83.01252	4.2
83.57888	0.4
85.02821	10.6
87.00764	1.3
89.02318	23.5
90.02670	0.6
95.01259	2.5
97.02840	0.6
99.00747	2.0
99.04398	3.7
101.02322	22.1
102.02640	0.4
111.00777	0.8
113.02331	11.6
119.03385	8.2
125.02323	0.5
131.03433	0.4
143.03419	1.5
152.01010	0.5
161.04478	1.8
179.05530	0.8
196.18127	0.4
237.14975	1.0
251.11432	1.1
279.88712	0.5
290.27530	0.5
327.14816	0.7
343.21118	0.5
345.15555	1.2
387.86798	0.4
399.20221	100.0
400.20544	12.6
400.25821	0.7
498.38464	0.4
579.26630	38.0
580.27020	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	579.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85933	0.5
59.01256	1.0
63.96112	1.3
64.24553	0.5
65.69261	0.5
69.03323	0.6
71.00903	0.8
71.01257	8.8
73.02827	2.3
75.64821	0.5
78.98465	7.6
79.95599	11.6
80.96394	79.4
81.02322	0.6
81.03335	0.7
85.02826	3.4
86.23146	0.5
87.00765	3.1
94.97382	1.2
94.97966	18.6
96.95903	3.6
97.02827	1.6
99.00780	0.6
101.02319	2.9
106.97956	3.4
122.01218	0.5
122.97464	4.3
125.02341	3.2
127.03869	0.8
134.97482	5.1
136.99048	1.6
148.99042	7.6
152.98524	6.5
158.29593	0.5
164.98564	14.3
206.99666	3.0
225.00710	16.7
279.23264	2.4
299.04324	2.9
456.56714	0.5
579.28461	100.0
580.28766	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	579.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.1
61.98706	6.7
63.96112	1.5
69.03323	0.7
70.26229	0.9
71.01254	7.5
73.02809	1.4
78.95788	1.2
78.98463	6.5
79.95609	11.0
80.96391	75.7
81.03345	1.2
81.96339	0.6
83.88917	0.4
85.02827	3.5
86.53555	0.4
87.00747	2.5
94.97963	15.6
96.95885	5.4
97.02817	1.7
101.02345	2.2
105.10473	0.4
106.97982	3.2
113.02330	1.0
122.97484	3.5
125.02346	3.2
126.10257	0.4
127.03884	1.0
131.56769	0.5
134.97476	5.0
136.99034	1.2
148.99054	6.0
152.98552	5.9
164.98544	11.5
167.00095	0.4
182.99513	0.5
206.99588	2.5
225.00714	14.7
226.00943	0.7
279.23154	2.4
281.24957	2.4
299.04324	3.2
579.28436	100.0
580.28809	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	579.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.5
57.03323	3.8
58.00460	2.3
59.01252	76.7
61.98693	11.4
65.00192	7.1
71.01254	76.7
71.53036	1.3
72.01572	1.7
72.99194	5.3
73.02817	12.6
75.00753	3.9
77.28623	1.3
83.01248	13.3
85.02824	25.5
87.00761	4.8
89.02320	42.3
90.02615	1.9
93.03348	5.0
93.59519	1.2
95.01260	5.4
97.02821	2.0
99.00765	4.4
101.02325	39.2
107.01272	12.7
108.02080	4.2
109.02841	3.5
113.02333	24.9
114.98434	1.3
116.79134	1.4
119.03424	15.2
119.04914	25.6
125.02359	2.8
131.03392	1.5
135.04454	3.6
137.02373	2.9
143.03395	3.2
145.02838	3.3
149.02403	1.2
150.01917	1.2
151.00273	54.4
152.00960	4.6
153.01797	2.3
153.05424	1.3
153.55324	1.4
159.02924	2.5
160.01529	1.6
161.02351	3.0
161.04466	11.5
161.05750	1.9
163.04004	1.3
163.89247	1.2
165.01826	1.7
165.05539	2.4
166.02670	6.7
167.03375	1.8
169.01308	2.6
175.00232	1.4
177.01913	2.7
179.03418	1.6
179.05556	5.9
181.04982	9.0
187.03906	2.5
193.01364	2.3
265.98993	1.4
271.06116	34.4
272.06503	3.0
279.77643	1.4
309.07755	2.5
313.07086	1.7
327.46207	1.2
339.12341	3.3
343.21295	2.3
387.10684	2.0
399.20413	8.6
417.16052	9.4
417.24875	31.6
418.25488	3.1
459.11548	9.5
507.72653	1.5
579.17487	36.7
579.30176	100.0
580.17224	7.8
580.30518	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	579.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65670	0.2
54.78876	0.1
59.01250	100.0
60.01578	0.9
61.98707	2.1
63.53131	0.1
71.51310	0.2
72.33993	0.1
72.40833	0.1
75.00752	0.5
78.95780	0.4
83.04914	0.2
85.02861	0.1
89.02316	0.2
98.66045	0.1
135.02911	0.6
173.09592	0.2
341.10892	0.2
357.25827	0.4
361.25583	0.1
375.26404	0.2
396.96893	0.2
399.26740	0.2
403.26889	0.2
405.28491	0.3
405.90756	0.2
406.28387	0.2
407.29639	0.6
409.31015	0.3
419.29733	0.5
423.29050	1.7
424.29645	0.3
426.32355	0.2
427.32208	0.6
437.30502	0.3
439.32166	4.5
440.32446	0.9
441.36697	0.2
443.31750	0.3
451.28482	0.3
455.32452	0.8
456.29074	0.6
457.33276	3.3
458.33469	0.6
469.16281	0.2
471.31143	3.5
472.31509	0.6
475.34256	10.8
476.34637	1.8
513.10425	0.2
515.17365	0.2
519.33179	4.0
520.33496	0.5
579.35382	10.6
580.35742	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	580.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89367	0.1
57.04057	0.2
59.01248	1.9
61.98701	100.0
62.98398	0.2
67.58937	0.2
70.79144	0.2
71.01253	1.8
71.32065	0.2
72.99194	0.3
73.02817	0.3
75.00748	0.2
76.88625	0.1
85.02833	0.4
86.41959	0.1
87.00768	0.2
89.02312	1.6
93.03339	0.8
95.01282	0.2
95.17554	0.2
96.95885	0.2
101.02319	1.1
113.02338	0.8
119.03391	0.8
121.02864	0.2
135.04387	0.2
137.02324	1.6
147.04485	0.1
151.00392	0.2
151.03818	0.2
152.01024	0.2
161.02379	0.3
161.04546	0.2
167.03448	0.2
220.07430	0.2
245.08022	0.2
401.16174	0.5
581.24060	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88544	0.2
56.65781	0.2
59.01250	0.9
61.98702	100.0
70.56236	0.2
70.84296	0.3
70.84614	0.3
71.01257	0.9
73.02803	0.5
83.19933	0.2
85.02827	0.5
89.02297	0.5
95.01258	0.4
96.95934	0.4
98.02363	0.3
99.00763	0.4
101.02346	0.4
111.00728	0.3
113.02359	0.5
123.00745	1.5
125.92278	0.2
137.02348	0.4
138.03114	0.8
139.00336	0.3
151.00343	0.2
239.05487	1.0
240.21437	0.2
258.41473	0.2
281.09406	0.2
419.12076	0.2
517.23120	0.8
580.23456	0.3
581.18420	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	580.225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.4
61.98702	100.0
71.01241	1.1
71.16225	0.2
72.99194	0.2
73.02817	0.3
75.00728	0.4
78.95843	0.2
83.01299	0.2
85.02834	0.6
87.00746	0.4
87.76050	0.2
89.02327	0.9
91.09715	0.2
93.03352	0.4
96.95901	0.6
99.00745	0.4
99.43035	0.2
101.02336	0.6
104.73367	0.2
113.02354	0.6
115.00162	0.2
123.00748	0.2
124.64265	0.1
137.02339	1.2
145.83130	0.2
149.02356	0.2
149.04449	0.4
149.68475	0.2
150.03067	0.2
151.00290	0.2
161.02441	0.2
161.04457	0.3
165.05507	0.5
166.02658	1.1
167.03236	0.2
179.05545	0.2
181.04988	1.0
182.05388	0.3
191.05452	0.2
195.06647	0.3
208.03734	0.2
223.06154	0.7
241.24332	0.2
259.95703	0.2
281.06647	0.5
388.11523	0.4
417.15726	0.4
418.15872	1.7
419.09671	0.4
420.77747	0.2
581.17920	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.24
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.3
59.01254	3.2
61.98702	100.0
65.00225	0.3
69.15826	0.9
69.16242	2.0
71.01258	1.6
73.02821	0.6
75.00744	0.6
78.50198	0.3
78.95776	0.3
80.18859	0.3
83.01260	0.7
85.02833	0.9
89.02312	0.8
93.03362	0.4
95.01264	0.4
96.95892	0.5
98.19716	0.6
99.00758	0.4
101.02359	1.0
107.01277	0.5
108.02068	0.9
109.02859	1.3
113.02335	1.0
117.03373	0.7
119.04864	1.6
120.05283	0.5
121.02866	0.3
132.17290	0.4
133.02827	0.5
135.04456	0.6
135.52902	0.3
137.02382	0.9
145.02875	1.7
146.03212	0.7
149.02316	0.4
149.05919	0.3
150.03108	0.5
151.00294	2.3
152.00720	0.4
152.99501	0.4
161.02376	1.2
161.04465	0.6
163.04027	0.5
165.05545	0.9
177.01849	0.4
179.03479	0.6
184.63927	0.3
193.60667	0.3
271.06161	3.0
272.06454	2.6
307.08380	0.4
308.08829	0.4
311.10593	0.4
327.21667	1.9
385.12903	0.4
580.15619	0.4
581.31274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1823
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
50.86757	1.0
57.03323	1.1
57.88877	1.2
59.01244	9.5
60.46891	1.2
61.98687	3.1
62.96271	1.5
67.78381	1.2
71.51844	1.1
78.95775	100.0
96.74611	1.4
96.95875	5.2
96.96827	4.5
98.95457	2.0
99.92474	10.6
100.93255	1.1
113.79716	1.3
115.91966	30.3
116.91997	2.2
116.92739	26.9
117.92738	1.3
142.94272	1.4
150.97926	2.2
152.99496	25.3
163.89674	2.2
164.90477	2.2
171.00554	10.2
172.95403	6.1
178.88359	4.9
179.89142	35.7
180.89954	25.5
181.90761	1.8
194.87793	2.3
196.89415	50.4
197.89397	2.8
199.36720	1.2
204.89955	2.0
205.90683	3.4
206.91479	3.1
208.89450	1.5
218.91502	1.5
221.90190	2.1
224.06842	3.4
235.91743	10.0
236.92566	26.3
237.93127	2.3
252.92107	3.3
253.21623	1.7
253.92755	1.2
270.93030	1.8
276.95804	2.1
278.93781	3.5
281.21964	2.3
281.24878	30.1
282.25162	17.1
292.95306	2.6
309.95538	1.5
310.96176	7.8
473.13989	6.8
490.14291	4.9
506.32419	10.7
507.32739	15.2
533.16266	3.7
534.16107	1.3
545.16113	4.1
546.16144	1.5
563.17426	7.3
564.17896	1.9
581.18219	65.9
582.18616	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	581.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	42.5
60.90189	6.0
61.98699	100.0
71.01245	16.2
71.51621	6.7
71.51995	6.4
72.99159	6.6
75.00751	11.1
78.95753	11.2
103.94530	5.5
113.02325	7.4
145.02879	9.1
152.99463	11.6
197.11746	15.5
206.54948	6.2
244.57466	6.8
309.20673	18.0
581.27594	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15026	0.9
55.01755	1.7
57.03309	0.9
58.00451	2.4
59.01252	33.6
69.30238	2.4
69.30662	3.3
71.01256	32.0
72.99176	2.6
73.02811	5.8
83.01263	4.3
85.02819	11.5
87.00740	1.6
89.02322	19.7
95.01258	2.3
98.19848	1.7
99.00763	1.8
101.02326	20.5
111.00754	2.0
113.02346	11.2
119.03387	8.0
125.02353	1.2
131.03383	1.2
159.02921	1.3
161.04472	3.3
179.05508	1.1
232.74310	0.8
419.22861	14.1
420.23190	2.7
433.77591	0.8
581.28131	100.0
582.20343	0.7
582.28503	18.2
596.01794	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92341	0.3
59.01245	1.1
59.91865	0.4
61.98690	1.0
63.96104	1.3
69.03333	0.8
70.06110	0.3
71.01257	7.9
72.99194	0.4
73.02830	1.5
78.98465	7.2
79.95602	10.5
80.96393	71.9
81.03316	0.9
85.02834	2.9
87.00755	2.2
89.30975	0.3
90.27308	0.4
94.12772	0.4
94.97962	17.7
95.01282	0.6
96.95904	1.8
97.02820	1.7
98.20551	1.3
99.00756	0.8
101.02316	3.4
101.16752	0.4
106.97977	3.4
113.02318	0.6
122.91650	0.4
122.97464	5.7
125.02348	3.0
127.03922	0.6
134.97487	5.5
136.99046	1.4
146.97433	0.5
148.99059	5.8
152.98552	6.9
160.61790	0.3
164.98552	11.5
165.98886	0.5
167.00101	0.7
173.49515	0.4
179.00038	0.5
182.99629	1.6
188.98640	0.5
206.99655	2.5
225.00713	18.6
226.01009	0.7
243.01785	1.6
281.24875	3.3
299.04468	3.0
317.05222	0.4
330.58179	0.4
373.04266	0.3
581.30011	100.0
582.30341	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	581.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16662	0.2
53.46806	0.2
59.01251	100.0
60.01586	1.1
65.95506	0.2
70.89249	0.4
87.31001	0.2
89.02371	0.3
113.31740	0.2
121.63036	0.2
135.98466	0.3
146.23796	0.2
273.70773	0.2
277.21698	3.9
290.40091	0.3
291.23441	0.4
292.35300	0.2
479.32831	0.3
485.31662	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.4
59.41655	0.2
61.98703	100.0
62.98402	0.2
69.27492	0.4
69.27902	0.9
71.01271	0.3
72.99182	0.2
89.02296	0.3
97.56033	0.2
97.56679	0.1
98.19752	0.3
101.02332	0.2
113.02348	0.2
122.93793	0.2
148.69516	0.1
155.64241	0.2
179.05402	0.2
185.47084	0.2
188.77260	0.2
275.09296	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99876	0.3
54.52657	0.2
59.01257	3.2
60.01588	0.3
61.01689	0.3
61.98705	100.0
64.60998	0.3
71.01261	0.4
71.74497	0.2
78.95791	0.4
85.44581	0.2
89.02319	0.4
90.78827	0.2
91.52076	0.3
96.95944	0.3
98.20547	0.7
101.02326	0.4
110.94827	0.3
113.02345	0.3
115.30726	0.2
145.02823	0.3
152.99506	0.5
161.02379	0.3
162.68407	0.3
169.93236	0.2
194.52922	0.3
330.10950	0.3
404.41403	0.3
501.32809	0.4
583.32086	0.4
608.43408	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48814	0.6
54.18306	0.6
55.01749	2.2
57.03334	1.5
59.01251	30.1
61.98708	8.9
63.33553	0.6
64.93868	0.6
71.01255	26.4
72.99194	1.6
73.02819	8.5
75.00698	1.0
78.33837	0.6
78.95777	1.3
83.01255	5.1
85.02825	14.9
87.00749	1.7
89.02316	8.1
93.03367	0.8
95.01258	2.5
96.95879	0.7
97.02855	0.7
98.60831	0.7
99.00765	4.2
101.02325	21.7
111.00766	0.8
113.02332	11.3
117.03347	0.9
119.03399	2.3
121.02863	0.8
125.02367	1.7
133.02821	2.1
134.03647	0.9
135.04442	2.2
137.02341	1.4
143.03354	0.7
145.02893	1.8
149.02361	1.9
150.03099	5.2
159.02866	1.3
161.02382	3.4
161.04482	3.9
165.05484	6.0
169.84038	0.7
175.03870	0.8
177.01891	0.9
178.02638	1.1
179.03421	1.7
195.06598	3.8
361.22171	3.7
403.23685	1.1
421.24313	3.6
523.27460	4.7
565.28357	4.8
583.29736	100.0
584.30115	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	583.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08793	0.8
55.01744	3.6
57.03312	2.1
58.00456	2.3
59.01253	59.8
60.01609	1.0
61.98702	12.0
69.36069	5.7
71.01253	42.4
72.99179	4.6
73.02824	9.1
75.00713	2.5
78.95776	9.2
83.01270	6.2
85.02827	17.5
85.99966	1.3
87.00735	2.8
89.02322	21.8
93.03331	1.4
95.01283	4.3
96.95872	1.6
99.00761	5.6
101.02324	35.3
107.04894	1.3
111.00748	1.3
113.01631	1.3
113.02339	17.0
116.41933	0.8
119.03399	6.4
119.04840	1.1
121.02809	3.7
122.03598	3.5
124.01599	1.3
125.02283	1.1
131.03409	1.3
133.02858	2.2
134.03644	2.1
135.04382	3.9
136.01524	2.7
137.02306	2.8
143.03383	1.2
145.02776	1.5
149.02353	5.9
150.03134	20.5
151.00146	1.1
151.03836	3.5
152.00955	1.3
160.01529	1.2
161.02296	3.8
161.04462	2.8
163.03883	1.7
165.05481	20.0
167.03416	1.2
175.03951	1.7
177.01855	1.6
178.02591	1.9
179.03423	2.2
179.05501	1.2
180.04242	1.5
181.04942	2.0
182.51743	0.9
190.06256	1.3
195.06551	9.0
230.74289	0.9
233.69974	0.9
252.65056	0.9
275.09177	1.4
280.35239	1.0
329.10306	1.1
336.63110	0.9
357.13315	2.8
361.22159	1.1
363.26419	1.0
369.13202	1.0
387.14417	4.2
403.23358	100.0
404.23666	10.7
451.29074	4.4
505.18628	1.2
523.27490	1.6
523.34808	2.2
535.19635	7.9
536.20435	1.2
549.68176	0.9
583.29651	68.8
584.29926	13.9
586.32526	0.8
601.37909	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10003	0.5
59.01264	0.6
59.68416	0.5
60.55970	0.4
63.96114	1.0
64.02648	0.4
67.92239	0.4
69.03318	0.6
71.01254	6.8
73.02814	1.2
78.98466	4.6
79.95601	9.6
79.96037	0.7
80.96394	67.4
81.03332	1.1
83.01256	0.7
85.02821	2.7
87.00749	2.9
94.97388	1.0
94.97964	15.6
96.95892	0.8
97.02823	1.0
101.02338	2.3
106.97966	2.5
113.02306	0.5
122.97463	2.6
125.02343	3.0
127.03934	0.7
134.97473	4.7
136.14046	0.4
136.99002	1.4
148.99075	5.1
152.98570	4.8
164.98540	11.4
164.99837	0.9
206.99622	1.9
225.00700	15.7
225.02705	0.6
226.00987	0.6
283.26367	1.4
299.04456	2.9
583.31549	100.0
584.31915	18.2
584.41193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.1
58.00470	0.3
59.01249	4.5
61.98703	1.5
71.01266	5.5
72.99217	0.4
73.02853	0.3
75.00756	0.5
81.03339	1.4
83.01275	0.4
83.04924	0.3
84.02026	0.4
85.02821	6.0
85.03298	0.5
87.00749	0.9
89.02324	2.4
95.01273	1.8
96.95903	0.4
99.00777	0.3
101.02311	1.4
105.03395	0.6
109.02840	1.2
113.02332	11.4
114.02643	0.4
117.02580	0.3
117.03342	1.3
119.03379	0.7
119.04959	0.3
121.02919	0.4
121.66096	0.3
123.04433	0.6
127.03886	0.4
132.02037	1.5
133.02849	26.3
134.03441	0.7
135.00728	0.4
135.04414	4.6
143.03416	0.4
145.02859	0.7
153.01839	2.7
160.01628	0.6
161.02351	100.0
162.02696	5.7
163.03830	0.3
179.03442	2.4
193.05040	0.4
433.94446	0.3
509.20438	0.3
541.22894	0.4
585.21857	34.2
586.22314	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	586.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45961	0.8
58.02851	1.8
59.01250	5.6
61.98700	1.7
64.55779	0.7
67.68924	1.0
69.18709	6.6
69.19122	1.5
70.02848	0.7
71.01260	3.8
73.02805	0.8
73.03950	7.6
80.04955	1.0
82.02863	1.0
82.06483	0.9
84.04451	3.8
85.02827	2.1
86.93148	0.7
87.00750	1.3
87.05520	10.8
89.02321	1.7
97.03947	3.0
98.02351	2.9
102.05487	37.4
103.05835	1.3
109.03929	1.0
110.02364	2.1
113.02303	2.8
115.05022	15.5
119.04893	1.3
126.06612	10.9
128.03430	100.0
129.03751	2.0
129.10210	4.7
130.08636	24.5
133.02870	2.3
135.04405	1.4
137.02293	0.9
139.08675	1.6
139.75174	0.8
140.06053	1.2
140.07047	5.8
144.07700	10.2
146.04491	31.4
153.10278	0.9
154.12282	1.7
155.08153	1.1
155.11810	5.0
161.02359	5.5
161.04471	1.0
162.02678	1.2
163.03914	1.0
164.14346	0.8
168.07707	22.3
169.06099	1.2
169.08113	1.0
171.14990	5.3
182.12923	2.1
183.10028	1.0
183.11470	1.5
186.08769	13.8
199.18068	1.3
201.87389	0.8
207.14912	2.4
208.13385	1.3
215.13940	4.3
222.01682	0.9
225.16032	3.1
230.11525	1.1
241.11980	1.7
243.17036	1.4
252.20775	2.7
270.21872	4.6
284.03271	1.0
284.23495	1.1
298.71231	0.9
300.15649	1.3
314.20831	1.8
328.22229	2.0
355.27094	1.5
395.22830	1.3
399.26181	5.0
413.24066	31.2
414.24362	3.3
439.25668	2.0
457.26666	15.3
458.27026	1.0
498.29446	2.5
542.28333	59.8
543.28589	11.2
568.30029	2.1
586.30914	87.3
587.22980	3.4
587.31317	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	586.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35201	0.5
53.71194	0.5
55.01743	1.5
57.03317	0.9
58.00459	1.5
59.01251	27.3
59.21137	0.5
61.21810	0.5
61.98701	5.4
66.48285	0.4
71.01250	23.8
71.04895	0.7
71.51706	0.6
72.99172	1.8
73.02828	3.4
75.00793	0.6
78.95780	3.2
83.01241	2.3
85.02828	8.1
87.00750	1.2
89.02317	12.7
95.01243	1.7
96.95869	0.9
99.00735	2.1
99.92445	1.2
101.02320	14.4
113.02331	7.8
114.09122	0.5
115.07568	0.7
115.91985	0.7
117.03299	0.6
119.03410	4.1
145.02879	2.9
152.99463	1.9
156.10226	1.2
158.11784	4.7
159.02986	0.5
161.04419	0.9
166.36372	0.5
167.14333	10.3
171.10101	0.8
174.22198	0.5
179.03329	0.7
194.15514	0.7
196.56433	0.5
207.10316	0.5
211.13344	9.4
212.13626	0.8
223.13301	0.9
224.13742	0.7
226.11449	0.5
229.14409	11.4
230.14828	0.7
237.18434	0.6
254.17570	1.4
265.18240	2.9
265.21512	2.5
272.18692	7.4
273.19067	0.7
290.21414	0.6
291.19617	2.0
308.22208	2.1
309.20697	2.1
320.17102	1.8
406.29431	1.0
434.23962	8.0
435.24527	0.9
473.32559	0.6
487.34210	1.7
488.28671	4.3
523.25745	0.8
568.35144	1.8
569.35303	0.8
586.35944	100.0
587.36383	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	587.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.3
55.72398	0.2
57.03356	0.3
59.01252	5.2
59.41636	0.2
60.99166	0.6
61.98701	0.5
71.01250	5.2
71.52230	0.3
72.99160	0.3
73.02816	2.4
75.00750	0.3
75.90735	0.2
83.01255	1.2
85.02823	3.5
87.00748	0.7
88.53729	0.2
88.98674	4.4
89.02309	1.4
90.97914	0.2
91.88921	0.3
93.03326	0.5
96.95892	0.5
99.00752	0.7
101.02328	4.0
103.03896	0.3
103.99400	0.3
105.03359	0.4
109.02859	0.3
109.44125	0.2
111.00834	0.3
113.02327	2.4
117.03360	1.4
122.63065	0.3
123.04427	0.5
125.02387	0.3
132.02058	1.6
133.02850	27.9
134.03249	1.1
135.04410	4.8
137.02327	1.4
139.03932	0.3
141.01744	0.3
143.03526	0.5
145.01288	0.3
145.02887	0.4
151.03819	0.3
159.02829	0.3
161.02351	100.0
161.98340	0.2
162.02704	5.0
170.07808	0.3
179.03442	1.9
189.50577	0.3
269.04510	0.4
279.14423	1.4
370.86130	0.3
425.20474	1.7
426.20508	0.3
587.23438	36.7
588.23816	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	587.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52622	0.5
55.01751	1.0
57.03316	0.7
58.00468	0.9
59.01250	19.1
61.98700	6.5
69.00822	0.5
70.58247	0.5
71.01254	20.3
71.50835	0.6
72.99180	1.7
73.02812	10.7
75.74768	0.4
78.95773	11.5
83.01269	1.6
83.04898	0.6
85.02825	6.4
87.00740	1.8
89.02309	13.1
91.85600	0.5
95.01263	1.9
96.96826	1.4
97.02805	0.9
99.00754	35.6
101.02315	7.0
103.34029	0.6
109.06480	2.5
111.00732	1.5
113.02327	11.1
117.60148	0.5
119.03384	1.4
128.46736	0.6
129.01855	0.6
131.03409	4.8
143.03487	0.5
149.04462	2.6
152.99477	9.0
159.02904	0.7
161.02338	0.7
161.04436	1.7
163.11134	1.2
171.00534	0.8
171.10197	5.9
183.13821	0.9
191.05547	5.0
195.13858	0.7
197.11780	1.0
199.09660	0.7
207.10223	3.8
209.11729	1.6
211.13312	0.9
223.13272	0.7
225.11266	2.7
259.36514	0.6
275.20145	2.7
276.59454	0.5
293.21237	10.9
294.21353	1.0
361.10654	3.9
379.11264	0.8
380.50528	0.5
399.14197	2.2
425.28961	3.6
455.26434	4.2
456.26852	0.6
472.74127	0.7
487.34122	0.7
587.30652	100.0
588.31140	17.9
614.02966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07953	0.3
58.85703	0.3
59.01253	1.4
61.98691	1.1
69.50021	2.3
71.01266	0.7
71.04877	0.4
72.51468	0.3
78.95767	1.1
89.03820	0.3
89.41460	0.3
97.37579	0.3
98.20528	0.7
106.70977	0.3
115.38610	0.3
117.03354	30.7
118.03652	1.9
119.04913	12.1
120.05266	1.0
121.02835	2.9
122.03182	0.3
123.04385	0.9
125.09576	0.4
127.08090	0.3
129.42360	0.3
133.02863	1.0
145.02856	100.0
146.03171	6.1
147.04341	0.5
152.99519	0.5
162.03134	1.2
163.03917	1.9
271.22897	0.5
277.21933	0.4
291.19641	1.1
301.14474	0.4
302.14767	0.4
328.05859	0.3
471.34561	0.9
501.29642	0.5
502.30670	1.7
503.30359	0.4
572.34552	1.0
587.37329	79.0
588.37695	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	589.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.2
57.03322	2.5
57.65435	0.9
58.00464	2.4
59.01254	100.0
60.01585	1.7
61.98419	1.2
61.98707	13.4
69.03312	1.1
71.01256	53.0
72.01601	1.3
72.99187	4.5
73.02823	9.7
75.00716	1.4
79.95593	1.9
80.96393	0.9
83.01244	4.6
85.02821	15.6
87.00754	5.0
89.02323	34.0
90.02629	1.0
93.03307	1.7
95.01271	5.1
96.95901	6.3
97.02867	0.9
99.00747	3.0
101.02322	25.9
109.02853	1.0
111.00761	3.2
113.02333	38.1
117.03330	2.5
118.02857	2.9
119.02586	1.2
119.03396	16.0
119.04869	4.5
121.02839	1.9
123.04397	1.1
125.02348	4.1
131.03374	1.9
131.64241	0.9
133.02843	3.9
134.03549	1.3
135.04405	5.2
137.02328	2.9
139.00264	1.0
143.03381	5.3
144.04442	1.4
145.02873	4.6
149.02313	1.5
149.04485	2.0
150.03157	1.1
151.00238	1.8
151.03798	1.1
153.05440	0.9
160.01587	1.0
161.02379	9.4
161.04442	10.6
162.02631	1.0
162.05463	1.9
163.03893	3.1
165.05458	0.9
167.03355	0.9
175.02431	1.1
175.03960	1.9
175.05591	0.8
179.03400	5.0
179.05534	7.5
179.59155	0.8
180.98047	0.8
187.04134	0.9
188.03448	2.6
192.02731	0.9
320.48828	1.0
337.09167	1.2
377.60999	1.4
378.10562	1.2
385.22476	1.0
413.11902	1.2
429.70847	0.8
529.26532	33.8
530.26630	6.5
545.26282	2.0
547.27618	39.6
548.28040	6.7
589.15314	3.0
589.29010	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	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.2
61.98704	0.7
63.06636	0.4
72.99176	1.8
75.00747	100.0
76.01067	1.1
78.95777	1.3
89.02339	0.5
93.69057	0.4
115.60368	0.5
117.03335	0.9
119.72060	0.4
145.02866	1.9
152.99493	1.4
173.90402	0.4
208.30391	0.4
277.21768	1.6
421.47263	0.5
471.34906	1.5
505.25375	0.8
519.41296	0.5
589.39630	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	589.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04747	0.2
59.01245	0.3
59.18397	0.2
61.98686	0.4
65.90073	0.2
69.23946	1.0
69.24361	0.8
72.99191	1.3
75.00748	100.0
76.01080	1.1
78.95782	0.5
98.20576	0.5
220.99887	0.2
275.43369	0.2
277.21649	0.5
293.21112	0.3
448.22610	0.3
589.38550	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27316	0.8
55.01753	1.6
57.03309	2.0
58.00463	5.6
59.01250	100.0
61.98438	0.9
61.98707	11.6
68.79617	0.8
69.20942	5.4
69.21358	2.1
71.01253	65.9
72.01604	0.9
72.99187	7.0
73.02802	1.8
80.78235	1.0
83.01269	2.4
83.04855	1.7
83.98264	0.8
85.02820	11.1
85.06469	1.4
86.02387	0.9
86.99453	0.8
87.00752	3.0
88.03922	2.0
89.02318	75.8
90.02676	1.4
92.00803	0.8
95.01275	4.3
95.04927	0.8
96.95801	0.8
98.19781	1.7
101.02319	46.3
102.02659	1.8
108.08073	4.6
113.02324	25.6
113.03075	1.7
115.07483	1.6
119.03391	43.7
125.02269	1.9
126.09167	6.7
131.03401	3.2
138.09138	1.7
143.03407	5.9
145.02866	2.4
146.03194	1.5
149.04427	3.4
154.08659	1.2
156.10225	2.7
161.02325	1.4
161.04416	5.3
164.43756	0.9
179.05524	18.0
184.09735	1.2
187.16089	0.8
219.06013	1.0
225.11354	1.2
225.22169	11.9
226.22635	1.6
234.51448	0.9
253.21667	3.1
254.22060	1.4
271.22815	7.3
294.24301	1.2
296.25867	5.1
312.25491	2.3
324.25330	1.2
380.31998	1.7
392.31741	4.3
410.32736	45.6
411.33170	8.4
428.33755	20.1
429.34167	2.5
590.39093	75.4
591.39600	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	591.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.9
58.00466	1.0
59.01251	100.0
60.01594	1.4
61.98702	13.4
71.01254	17.2
71.74796	0.4
72.99171	1.7
73.02831	1.4
75.00737	0.6
78.95776	0.6
80.09536	0.3
83.01263	1.0
85.02822	3.1
87.00743	1.7
89.02319	21.4
90.02676	0.6
91.22220	0.4
93.03331	0.6
95.01273	1.4
99.00751	1.8
101.02332	7.6
107.03381	0.4
113.02330	8.0
115.00301	0.5
119.03394	8.7
119.04745	0.3
125.02348	0.5
131.03397	0.9
132.02090	0.7
133.02859	5.5
135.04434	1.7
137.02362	0.5
143.03394	2.6
145.02876	1.0
149.04488	1.2
152.99512	0.5
160.01527	0.4
161.02354	16.8
161.04364	2.6
162.02682	0.8
175.03952	1.1
177.01949	0.5
179.03444	0.9
179.03738	0.6
179.05551	6.5
190.17061	0.4
201.11301	0.7
269.04559	1.3
285.04071	0.6
350.11502	0.4
395.46555	0.4
437.18277	1.5
495.18808	1.3
591.21100	4.5
591.29218	1.3
592.21814	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.1
57.03325	0.4
58.00465	0.2
59.01253	5.6
59.79522	0.1
60.01569	0.1
60.48035	0.0
61.98713	0.4
69.03343	0.1
69.39398	0.3
69.39806	0.1
71.01255	5.2
72.01601	0.1
72.74352	0.1
72.99189	0.3
73.02816	0.4
77.03853	0.1
83.01257	0.3
84.02048	0.1
85.02823	4.9
86.03159	0.1
87.00751	0.2
89.02322	2.4
89.03826	0.2
95.01271	1.7
95.04920	0.1
96.01600	0.1
97.02836	0.1
99.00764	0.2
101.02324	1.2
103.03909	0.1
104.02574	0.2
105.03345	0.6
107.04939	0.1
108.02022	0.1
109.02798	0.1
112.01586	0.1
113.02335	8.8
114.02637	0.3
115.01781	0.2
117.03366	1.3
119.03395	0.5
119.04926	0.1
121.02921	0.1
123.04415	0.4
131.03349	0.1
132.02071	1.8
133.02853	30.0
134.03122	1.3
135.04417	4.5
136.04729	0.1
137.02342	0.2
143.03412	0.2
145.02869	0.1
149.02464	0.1
160.01567	0.2
161.02354	100.0
162.02690	5.0
163.06035	0.1
164.77939	0.1
175.00414	0.1
178.02603	0.1
179.03423	1.7
179.05290	0.1
179.05565	0.1
180.03720	0.1
188.43167	0.1
190.02779	0.1
203.03430	0.1
205.05005	0.1
233.04314	0.1
269.04547	0.2
305.06732	0.1
360.93671	0.1
429.17526	0.5
430.18042	0.1
445.15088	0.1
446.15286	0.1
491.73312	0.1
503.34372	0.1
591.20819	28.5
592.21155	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.5
59.01249	8.8
61.98705	1.1
65.19862	0.3
69.34081	3.0
71.01252	8.1
72.99184	0.5
73.02832	0.9
85.02824	6.4
89.02321	4.0
95.01250	2.3
101.02338	2.1
113.01521	0.6
113.02335	13.5
117.03336	2.1
119.03414	0.8
123.52668	0.4
125.02364	0.4
132.02036	2.0
133.02853	29.9
134.03197	1.1
135.04424	7.6
136.04774	0.6
145.02831	2.0
161.02353	100.0
162.02708	5.4
179.03401	4.1
205.09135	0.4
242.70297	0.4
251.05656	0.5
258.15475	2.2
258.65561	0.5
304.59894	0.4
391.98303	0.4
437.30484	0.7
445.14972	1.1
455.31717	0.7
485.32745	1.1
503.33841	13.0
504.34253	2.6
517.31744	9.3
518.32123	1.4
559.32593	0.7
581.77722	0.4
591.20831	67.5
592.21136	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	591.2481
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
59.01238	4.3
61.98703	69.0
63.96117	1.1
71.01259	8.1
71.34470	0.7
72.99168	1.1
73.02805	2.1
74.80161	0.8
78.95781	1.2
78.98470	5.6
79.95604	12.4
80.96391	63.7
85.02828	3.2
87.00751	2.8
89.02312	0.9
94.97958	14.3
96.95878	1.8
99.00755	1.3
101.02328	2.9
106.97975	2.6
113.02315	1.1
121.75877	0.7
122.97475	3.3
125.02380	3.5
127.03916	1.2
133.02893	1.1
134.97520	4.2
136.99026	2.0
137.02324	0.9
148.99046	6.0
152.98523	5.7
161.02347	3.6
164.98553	11.0
173.36002	0.8
206.99683	2.0
225.00705	12.3
269.04541	3.9
291.19632	1.6
293.21146	3.8
299.04382	3.0
307.22879	0.8
427.93237	0.8
517.09045	0.7
518.29028	1.2
591.24792	100.0
592.25140	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	591.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92521	0.4
59.01250	4.6
61.98700	7.4
62.96278	0.7
69.63548	0.4
71.01252	3.0
71.75279	0.5
73.02760	0.5
78.95776	100.0
80.02538	1.3
81.03330	2.2
83.04897	7.6
84.02038	1.1
85.02818	1.2
89.02321	1.7
89.44334	0.4
90.98500	0.8
92.22596	0.5
94.06497	0.5
95.04922	0.7
96.96838	9.1
101.02327	1.2
113.02333	2.0
117.03384	0.4
117.83668	0.5
120.99545	0.7
133.02855	1.8
134.03679	0.9
134.98434	1.1
135.04373	0.7
135.08060	1.0
135.42023	0.4
145.02866	0.9
150.97968	0.7
152.99492	56.3
153.99855	1.0
160.01613	2.8
161.02347	5.6
161.04396	0.5
163.03963	0.6
163.11192	6.0
165.12762	3.2
171.00624	1.0
171.10175	0.5
175.03946	1.9
179.03328	0.7
181.12326	0.8
191.10704	1.4
193.04875	0.9
209.11772	85.3
210.12117	6.0
227.12859	12.4
228.13115	1.0
267.51123	0.5
269.04514	3.4
301.53278	0.5
311.22235	0.4
311.26495	0.5
363.12140	44.3
364.12485	3.5
381.13162	12.0
382.13425	1.3
446.18021	0.5
591.25848	48.4
592.26129	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	591.2613
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
50.54770	0.5
51.38388	0.7
97.62804	0.7
113.41261	0.6
129.95207	0.7
141.35866	0.7
147.62750	0.7
148.91353	0.6
169.01918	0.7
263.41470	0.7
441.20648	0.9
442.20908	0.7
443.22385	2.4
445.19659	1.2
447.25363	0.8
456.23071	0.7
458.21109	0.7
459.21817	2.1
460.21799	1.1
471.20340	0.8
471.25494	2.9
472.22763	1.0
473.23376	2.1
482.21014	1.9
483.21054	0.7
485.19891	2.3
487.25403	3.1
489.23004	1.0
497.23438	3.1
498.24170	1.0
499.21451	3.8
500.22113	14.1
501.22406	2.6
504.21945	1.0
514.23779	1.2
515.24530	100.0
516.24792	20.4
559.23438	3.2
560.23450	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.6
61.98703	1.8
70.99891	0.4
71.01259	0.3
72.85950	0.2
78.95779	0.5
80.91553	0.3
80.96392	0.8
90.98466	100.0
91.98804	0.8
95.94133	0.2
104.31831	0.2
131.02075	0.2
161.02397	0.5
164.98622	0.2
169.08517	0.3
213.95796	0.2
221.55421	0.2
269.04562	1.0
272.08969	0.3
288.84052	0.2
293.21216	0.7
383.54224	0.3
437.30396	0.6
455.31592	5.2
456.31937	1.0
518.28955	0.3
591.24841	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27757	0.1
53.13964	0.1
61.98705	100.0
70.13084	0.1
70.27310	0.5
71.01267	0.4
71.87473	0.1
78.98474	0.2
79.95609	1.1
80.96391	2.6
85.02834	0.1
94.97980	0.6
106.98002	0.1
120.79141	0.1
134.97473	0.3
152.98511	0.2
159.24092	0.1
164.98619	0.5
225.00749	0.6
503.90698	0.2
592.24890	0.9
592.33911	0.2
593.26324	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	592.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30997	0.1
59.01247	0.2
61.98704	100.0
62.98410	0.1
70.52885	0.1
70.53247	0.3
71.01283	0.2
76.83260	0.1
78.95756	0.1
79.95610	0.2
80.96394	0.8
81.05510	0.1
87.69138	0.1
89.02274	0.1
94.97998	0.2
114.79603	0.1
117.65963	0.1
164.98456	0.1
209.11803	0.3
225.00758	0.2
244.75931	0.1
293.21356	0.3
307.22729	0.1
421.18628	0.1
592.25220	1.1
593.25739	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1305
Annotation	kaempferol 3-O-(4"-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
55.01749	0.5
57.03312	0.7
58.00454	0.6
59.01253	5.9
61.98703	23.4
63.02264	0.6
64.47343	0.3
65.00205	0.5
66.85348	0.3
69.03316	0.4
69.26792	2.7
71.01252	7.5
72.99169	1.0
73.02818	2.2
75.00764	0.5
76.43597	0.4
78.95766	0.4
83.01268	1.6
85.02826	3.1
87.00742	1.9
88.98665	1.3
89.02304	3.0
93.03345	0.5
95.01270	1.0
96.95895	0.3
97.02824	0.6
98.19833	0.6
99.00747	1.4
101.02312	4.5
105.03337	0.4
107.01278	2.7
107.04953	0.4
109.02831	1.1
111.00809	0.5
113.02338	3.7
117.03349	4.7
119.03392	0.8
119.04916	3.1
120.05277	0.4
121.02827	0.9
123.04443	0.5
124.01573	0.4
125.02321	1.1
131.64447	0.4
132.01978	0.4
132.07791	0.4
133.02841	7.2
135.04448	1.3
135.08154	0.3
137.02399	0.7
143.03453	0.3
145.02853	9.8
146.03195	0.7
149.02386	1.9
151.00267	4.4
151.03975	0.4
152.00961	0.4
155.73238	0.4
160.01646	0.7
161.02357	2.0
161.04468	0.9
161.05917	0.4
163.03917	2.1
173.19749	0.4
175.03908	3.4
177.01828	1.5
179.03404	0.7
181.05058	0.5
186.55798	0.3
199.03976	2.2
200.04330	0.7
201.01839	0.8
213.05540	0.4
215.03363	0.4
217.05000	1.3
227.03438	0.5
241.05000	1.2
241.34596	0.3
243.02939	0.8
255.02963	0.5
256.03735	1.1
265.07123	0.4
267.02890	0.4
269.21060	0.7
284.03250	12.1
285.04034	100.0
286.04376	7.7
287.22433	2.6
329.23489	0.4
331.07245	0.4
359.64691	0.3
431.26514	4.9
447.09305	4.8
449.27722	1.8
479.21179	0.7
547.28247	0.5
593.12976	46.0
593.31964	20.1
594.13220	8.7
594.32825	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	593.1513
Annotation	Vicenin 2
Peak:m/z	Relative Intensity
57.99782	0.6
59.01236	1.6
64.65623	0.7
69.42427	5.0
71.01257	3.5
71.21861	0.6
72.99178	0.7
79.01765	0.9
83.01259	0.9
89.02303	1.6
93.03328	1.4
95.01291	0.8
99.00768	1.0
101.02306	1.4
113.02305	0.7
117.03337	5.1
119.04889	1.2
126.55943	0.6
129.68407	0.6
135.04398	2.3
147.04373	0.8
149.02351	1.6
161.02303	2.4
161.04536	0.9
163.03958	1.4
175.03882	0.9
177.05518	1.6
182.98482	0.7
189.01855	1.1
189.05464	0.7
191.03439	1.4
197.06009	0.8
203.03459	1.0
233.04413	1.1
251.07062	1.0
253.08696	1.1
267.06519	1.3
282.05353	2.3
283.06079	1.9
285.04001	0.8
295.06049	4.4
296.06931	3.2
297.07681	20.4
298.08063	1.1
307.06195	1.8
309.07663	1.1
311.05380	3.7
323.05585	3.4
325.07147	8.5
328.05817	1.8
335.05527	1.7
337.07159	2.8
351.04929	0.9
353.06662	43.1
354.06952	4.3
355.08209	1.6
356.05252	1.2
365.06656	6.1
383.07721	21.9
384.07907	2.7
395.07571	2.1
413.08734	2.8
414.08325	0.9
425.08636	0.9
473.10876	14.0
474.11328	2.4
503.12122	4.0
575.13782	1.4
593.15100	100.0
594.15363	18.3
594.24927	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62998	0.4
58.00463	0.4
59.01251	11.7
61.98673	0.5
63.02281	0.5
65.00158	0.7
65.79096	0.5
69.44656	1.4
69.45067	1.2
71.01251	7.9
72.99175	1.1
73.02800	1.0
75.00739	1.0
83.01260	1.0
85.02816	1.9
87.00728	0.8
88.98685	3.3
89.02324	8.4
91.01784	0.6
93.03341	1.5
95.01227	1.0
99.00774	2.0
99.04391	1.7
101.02327	5.0
107.01262	3.4
107.04958	0.4
108.02081	0.5
109.02807	0.8
113.02328	4.5
117.03337	1.1
119.03396	3.0
119.04887	0.4
125.02314	0.5
131.03401	0.6
132.02078	0.6
133.02832	2.1
134.03616	1.0
134.13628	0.5
135.00819	1.3
135.04413	18.5
136.04761	0.8
137.02342	0.7
143.03409	0.9
143.04953	0.9
145.02867	0.7
149.04442	0.8
151.00262	3.6
154.04132	0.4
157.06544	0.7
159.04398	1.5
161.02371	4.9
161.04468	1.3
163.00279	2.1
167.04834	0.6
169.06537	0.6
171.04449	0.9
179.03421	37.7
179.05473	2.7
180.03767	1.4
183.04401	1.0
185.06032	2.1
187.03928	3.2
189.05548	0.7
190.99792	0.7
191.05513	0.6
195.04413	0.6
196.05179	0.5
197.05977	1.4
201.05475	0.6
207.13852	1.5
211.03926	2.9
212.04700	0.5
213.05565	1.2
223.04015	0.6
227.03453	33.8
228.03897	2.0
229.05014	11.8
230.05295	0.7
239.03430	1.6
240.04198	0.9
241.05045	1.7
243.03008	0.7
251.12785	4.6
255.02968	55.6
256.03482	7.6
257.04523	6.1
267.02905	1.4
269.04581	3.7
270.04944	2.2
271.05133	2.7
283.02390	0.9
284.03259	59.0
285.04019	93.3
286.04382	7.2
327.05109	1.2
413.17883	0.4
431.19119	3.5
473.20209	0.7
487.14618	2.5
517.22772	1.4
533.22186	1.2
593.15106	100.0
594.15405	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	593.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22115	0.3
51.54810	0.4
55.01834	0.4
57.03381	0.6
59.00998	1.3
59.01323	10.9
61.98774	2.0
64.29816	0.4
69.62667	0.8
69.63080	1.7
71.00899	0.6
71.01335	8.0
72.01659	0.5
72.99229	0.6
73.02903	2.3
75.00790	0.5
81.03373	0.4
83.01340	1.1
85.02908	4.6
86.03283	0.4
87.00802	0.7
89.02322	3.4
89.03921	1.5
93.03345	3.1
95.01345	1.2
95.04945	0.9
96.62021	0.4
97.02875	0.4
98.20636	0.5
99.00826	0.5
99.04399	4.3
101.02319	5.1
102.78436	0.4
103.03296	0.4
104.02597	0.4
105.03333	3.0
107.04336	0.4
107.05006	1.3
109.02917	0.6
111.00857	0.4
111.04482	0.4
113.02327	3.8
117.03432	0.6
119.01334	0.4
119.03448	1.1
119.04863	0.4
121.02837	3.0
121.06522	0.6
123.04404	12.5
125.02329	0.4
132.02097	0.6
133.02861	12.0
133.03819	0.7
134.03636	0.8
135.04420	5.7
137.02415	1.1
139.03909	4.4
140.04308	0.6
143.03400	0.6
145.02917	1.1
147.00829	0.7
148.01602	1.8
149.02353	14.7
150.02786	1.5
151.03905	2.5
161.02353	7.8
161.04402	2.8
161.05614	0.4
162.02721	0.4
163.03938	0.6
165.01715	0.4
175.00266	0.9
176.01022	3.0
177.01852	100.0
178.02209	4.9
179.03412	9.0
189.12761	1.5
195.02905	4.5
207.13831	4.1
208.14046	0.5
221.15334	0.6
231.13795	0.7
233.11664	0.5
251.10510	0.5
251.12878	7.7
262.05386	0.4
269.10300	3.2
275.12778	0.9
288.95044	0.4
293.13593	0.4
347.22250	0.4
353.15594	1.2
356.08762	0.8
371.10904	1.6
413.18262	2.3
414.18259	0.5
415.16068	3.5
416.15939	1.1
431.18729	0.7
449.26953	0.6
452.20483	0.4
593.17065	16.0
594.17371	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	593.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31129	0.3
52.69844	0.4
57.03325	0.4
59.01249	100.0
60.01590	1.4
60.99184	1.2
61.98702	1.5
71.01250	3.3
73.02800	0.8
73.88112	0.4
75.00756	0.9
83.01282	0.5
85.02831	1.2
87.00772	0.6
88.98676	9.8
89.02313	2.4
95.01256	0.4
97.06481	0.4
99.04404	2.2
101.02289	2.0
107.04953	0.4
108.01994	0.6
109.02874	0.4
113.02344	1.5
117.03349	0.5
119.03423	0.5
119.04871	0.6
121.02859	1.2
122.03591	0.5
123.04459	0.5
133.02852	2.2
134.03641	4.3
135.04407	2.4
137.02368	1.2
145.02866	1.0
146.03639	0.4
148.01552	3.9
149.02367	1.0
149.06013	2.9
149.27463	0.3
153.05502	1.5
157.48341	0.3
157.52136	0.4
159.04414	1.1
161.02327	4.3
161.04460	0.9
162.03090	0.5
163.03917	3.1
165.05469	0.4
175.00267	0.5
175.03879	0.7
176.04660	1.5
177.01878	1.2
177.05472	0.5
178.02457	0.4
180.04240	1.5
187.03847	0.5
188.04762	2.6
189.12775	0.7
190.02612	1.2
191.07086	0.8
193.04971	0.6
195.06506	0.6
203.07085	1.0
205.05017	1.6
207.13841	3.2
209.11771	1.4
229.74483	0.4
229.76581	0.5
251.07201	0.4
251.12878	4.3
255.06773	0.4
267.06677	0.7
269.13940	2.8
274.62442	0.5
275.12766	0.4
279.06680	1.7
280.07443	0.6
281.07858	0.4
289.91324	0.4
295.06207	1.6
296.06876	9.1
297.07333	1.1
311.09229	13.3
312.09583	1.4
326.08023	2.3
341.10242	6.6
353.15869	0.5
356.08966	12.6
357.09424	1.0
371.11328	80.5
372.11658	9.3
388.26620	0.4
413.17963	1.4
414.18365	0.4
431.13483	0.5
431.19177	1.1
593.24799	6.1
594.25275	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30768	0.2
57.03327	0.2
58.00454	0.4
59.01250	100.0
60.01593	0.8
61.98700	1.2
66.28584	0.2
69.79220	0.4
69.79609	0.6
71.01251	2.2
72.99168	0.5
73.02814	0.5
73.06283	0.2
75.00745	0.4
83.01257	0.5
85.02822	0.7
88.98675	0.8
89.02339	0.4
91.01783	0.4
93.03337	2.5
95.04915	0.3
99.00775	0.4
101.02306	1.2
107.04903	1.0
108.02076	0.5
109.02837	1.0
113.02324	1.0
119.04922	0.3
121.02834	5.0
121.44858	0.2
122.54762	0.2
123.04413	2.5
126.48428	0.2
133.02849	1.3
134.03630	0.2
135.04399	0.9
136.01599	0.3
137.02335	0.2
145.02841	0.6
149.02357	4.0
150.03107	1.3
151.00307	0.3
151.03917	3.4
152.01065	0.3
161.02359	1.0
161.04468	1.2
161.05998	0.6
162.03094	0.3
163.03893	0.7
165.01814	2.2
175.03914	0.3
177.01863	1.3
178.02596	0.3
179.03418	54.9
180.03741	2.8
191.03439	1.9
192.03766	0.2
199.24770	0.2
209.04497	23.0
210.04845	1.3
221.06606	0.2
224.81425	0.2
251.12727	0.3
252.77303	0.2
284.03027	0.3
301.07239	0.4
302.07404	0.4
303.08075	0.2
371.11313	2.1
593.13580	0.3
593.28107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20233	1.2
57.03299	1.6
58.00491	1.3
59.01251	46.8
61.98693	10.6
71.01249	29.7
71.01613	2.3
72.99207	3.1
73.02834	4.4
73.52110	1.3
75.00771	1.7
75.80368	1.3
81.86736	1.3
83.01265	2.3
84.17953	1.6
85.02829	9.1
87.00740	2.3
89.02319	20.6
93.03371	3.7
95.01278	2.9
99.04390	37.0
99.04986	2.1
101.02327	18.0
105.03366	2.5
107.04964	2.2
107.08527	1.9
109.02838	3.5
109.03551	1.5
109.06507	1.4
111.04401	2.8
112.37749	1.3
112.66042	1.4
113.02332	12.9
118.98049	1.7
119.03391	8.9
119.04919	2.5
121.02885	2.5
121.06509	1.4
123.04410	11.2
125.02378	1.3
131.03474	1.3
133.02856	10.2
134.03610	2.4
135.04446	6.3
139.03931	2.5
143.03423	2.1
145.02864	3.2
149.02361	13.6
150.02776	1.9
150.53986	1.3
151.03929	1.7
161.02350	13.1
161.04512	6.0
163.07643	2.5
171.11774	2.3
176.01094	2.6
177.01857	79.5
178.02243	4.8
179.03395	8.0
189.12778	13.1
195.02992	3.1
195.69118	1.5
207.13864	37.8
208.14268	4.8
221.15498	5.0
231.13985	5.3
233.11739	1.8
249.14914	1.7
251.12863	77.2
252.13316	5.9
269.10410	1.8
275.12936	7.3
283.68417	1.4
292.71481	1.6
293.14047	3.2
323.15164	1.6
353.15964	13.2
413.18170	27.1
414.18497	2.3
415.16312	4.1
431.19104	10.2
533.22754	2.2
593.24878	100.0
594.17664	1.9
594.25208	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41180	1.1
55.01752	3.3
57.03323	4.6
58.00463	1.8
59.00955	2.4
59.01252	38.0
60.03685	1.1
61.34323	1.1
61.98701	5.0
69.03296	1.1
69.31224	7.4
71.01252	36.0
72.99187	5.4
73.02821	17.0
75.00754	1.9
83.01254	24.7
83.01724	1.9
85.02826	15.9
87.00758	14.4
88.00294	1.9
88.98621	1.4
89.02320	18.6
95.01273	4.7
96.95918	2.8
97.02820	1.8
99.00761	8.4
99.04419	3.4
101.02323	43.6
102.02695	1.5
103.03897	6.0
108.02065	3.1
109.02822	1.5
111.00781	1.8
113.02335	19.5
115.10783	1.1
117.03336	1.6
119.03409	5.0
119.04921	3.9
120.99478	1.7
123.04391	1.9
125.02332	1.2
126.59189	1.0
127.00259	9.8
131.03380	1.2
133.02858	14.9
134.03607	1.0
135.04453	4.5
137.02335	1.3
137.06099	1.2
139.69881	1.0
143.03401	2.2
145.01350	1.1
145.02890	4.2
145.08604	6.1
148.43076	1.0
150.03183	1.1
151.03944	3.0
152.01060	3.0
159.03049	1.5
161.02356	61.7
161.04340	6.4
162.02780	2.5
163.03943	3.4
165.05530	1.2
167.03416	2.5
176.01118	1.4
177.05566	1.3
179.03404	3.6
179.05460	2.6
185.28978	1.2
187.09702	2.2
189.09180	1.6
191.03352	1.3
204.04247	1.6
207.13867	2.1
219.06622	5.8
251.12892	8.6
265.09329	3.6
265.13120	1.8
269.04550	3.2
270.04990	3.2
271.05084	1.7
284.03232	2.3
285.04077	2.0
299.05624	2.4
327.14355	2.5
333.19293	3.3
341.10370	2.2
345.15524	7.6
367.92099	1.5
369.15826	2.0
371.11331	3.0
371.28073	1.3
387.16904	1.6
406.07364	1.2
431.19641	5.9
465.23013	5.9
505.26694	4.9
533.23175	1.6
593.24860	100.0
594.17633	1.4
594.25214	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	593.2639
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
55.90426	0.7
61.98704	18.4
69.44714	4.2
71.01264	5.8
73.02818	1.1
78.98466	5.3
79.95606	34.1
80.22427	0.6
80.96392	53.9
85.02818	1.5
87.00730	2.0
94.97968	13.9
96.95915	1.4
97.02824	1.5
101.02350	1.7
106.97969	2.3
122.97456	3.2
125.02355	2.0
127.03915	1.5
134.97507	4.1
136.99055	1.1
148.99042	4.9
150.99596	0.7
152.98543	4.9
161.04544	1.5
164.98557	9.6
206.99617	2.8
225.00703	17.6
241.00249	1.4
299.04449	3.9
371.06454	2.8
382.43234	0.7
385.08200	1.2
399.09726	2.4
413.11264	1.9
455.15976	3.0
481.17484	0.8
495.18890	2.9
523.18341	1.1
593.26367	100.0
594.26599	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94020	0.5
59.01249	1.1
61.98699	5.2
63.96103	1.7
69.03345	0.5
70.81251	1.3
71.01257	6.0
73.02820	1.6
78.98470	5.3
79.95119	0.9
79.95610	37.1
80.96394	59.7
85.02819	2.7
87.00743	2.6
94.97386	0.8
94.97964	13.4
96.95876	1.3
97.02824	1.2
101.02321	2.0
106.97970	3.3
122.97469	4.7
125.02333	3.1
127.03918	0.9
134.97490	4.3
136.99037	2.3
148.99036	5.2
152.98563	6.3
161.04454	1.4
164.98558	10.2
182.99626	2.2
195.13786	0.5
197.01128	0.8
206.99672	2.9
225.00706	16.5
241.00183	1.6
243.01817	1.6
275.71558	0.4
293.21246	0.6
299.04358	3.6
315.03854	1.1
341.05453	0.6
371.06427	1.9
385.07983	1.0
388.09839	0.5
399.09552	2.4
413.11191	1.7
441.14484	0.9
455.16220	2.2
456.16324	0.7
481.17474	0.7
495.18964	3.0
523.18390	1.3
524.19006	1.2
593.26373	100.0
594.26709	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	593.2639
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
51.43267	0.4
59.01250	2.4
61.98701	30.1
63.96109	1.1
69.03312	0.5
71.01252	8.2
73.02817	1.5
78.95779	0.7
78.98470	5.1
79.95603	11.1
80.96390	68.7
81.03328	0.8
85.02814	3.6
87.00735	2.5
91.03844	0.4
94.97961	15.4
96.95894	1.0
97.02804	1.1
99.00748	0.5
101.02324	1.9
103.36999	0.4
106.97949	3.1
110.28732	0.5
113.09593	0.8
120.99539	0.4
121.02863	3.2
122.97454	2.8
125.02374	2.3
127.03930	0.7
134.97493	4.8
136.99065	1.3
145.02911	0.5
148.99036	6.4
152.98523	4.6
152.99561	0.5
164.98550	12.3
202.18689	0.4
206.99571	2.4
209.04535	2.1
225.00693	16.2
226.00946	0.8
293.21347	2.0
299.04413	3.3
432.42798	0.4
553.77765	0.4
593.26343	100.0
594.26685	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	593.273
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37155	0.5
59.01250	1.0
78.95772	67.6
96.96843	13.5
98.20668	1.0
98.27494	0.5
112.96856	0.5
150.97902	1.2
152.99489	100.0
153.99847	1.2
171.00546	2.8
222.97958	0.4
223.00069	10.7
241.01147	27.0
242.01427	1.1
259.02274	1.7
259.20782	0.7
277.21704	50.6
278.22021	5.3
312.62033	0.5
315.04874	15.5
316.05026	0.9
333.05798	1.4
593.27271	76.2
594.27539	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	593.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30136	0.5
59.01235	2.3
61.46327	0.6
61.98727	0.6
70.88761	1.0
71.01240	0.5
78.95775	83.1
96.96837	16.6
150.97893	1.7
152.99490	73.2
153.99876	0.8
171.00539	0.9
201.15298	0.7
207.67361	0.7
209.11752	1.2
223.00119	2.5
241.01160	37.9
242.01567	1.4
259.02286	0.8
276.39389	0.6
277.21713	59.9
278.22101	4.6
315.04907	11.1
333.05930	0.7
335.64716	0.7
386.34402	0.6
413.20923	7.7
414.21521	0.8
431.22006	1.4
433.40686	0.7
593.27307	100.0
594.27637	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	593.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.3
59.97318	0.6
62.96270	0.6
69.33564	1.0
69.33965	3.4
75.79201	0.5
78.95775	70.9
83.22280	0.5
89.37758	0.6
96.96841	14.2
106.75547	0.6
150.97903	1.3
152.99490	100.0
153.99843	2.1
171.00571	2.5
215.74680	0.6
223.00047	10.6
241.01164	26.4
245.69690	0.7
252.42233	0.6
259.02316	1.4
277.21722	48.0
278.22064	3.6
315.04880	18.0
316.05261	1.2
333.05838	1.5
593.27301	83.4
594.27600	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	593.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48936	2.1
55.01748	2.5
57.03325	2.9
59.01251	100.0
61.98705	76.1
69.25365	5.2
69.25772	16.2
71.01255	33.4
72.99201	5.1
73.02818	7.8
75.00793	3.0
78.95783	9.1
80.22082	2.1
83.01272	5.8
85.02834	18.9
87.00724	4.1
88.98658	2.4
89.02327	8.8
93.03342	2.5
95.01272	6.1
99.00777	4.3
101.02325	19.1
108.02069	3.7
111.19067	2.4
113.02332	18.3
117.03356	11.5
118.97976	8.1
119.04919	11.6
120.79330	2.4
121.02815	4.5
122.88651	1.8
123.04428	2.2
125.02354	3.7
133.02870	5.5
135.04411	8.5
137.02339	4.5
145.02861	26.3
147.04433	2.7
149.02356	2.6
152.01051	4.9
152.99516	4.9
160.01521	5.5
161.02345	9.2
161.04485	5.6
163.03957	8.8
175.03951	3.4
177.01797	2.7
179.03448	6.6
200.96625	2.4
208.38988	2.1
246.42345	2.1
254.82208	2.9
255.23428	2.7
267.11429	3.0
287.22397	4.1
311.10419	3.0
345.30148	3.4
431.26453	7.3
449.27499	8.8
450.27689	2.3
473.16010	3.6
474.89780	2.4
489.34375	39.8
490.34738	7.4
507.35516	18.2
533.33362	5.5
534.33331	2.6
549.35980	4.1
593.30585	43.0
594.31268	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	593.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27421	1.4
53.09464	1.3
54.49755	1.3
54.66615	1.3
57.03334	1.7
59.01253	74.7
61.98705	100.0
65.39687	1.4
71.01253	18.6
71.51990	1.6
71.52424	1.9
73.02822	4.4
83.01272	3.1
85.02830	10.6
87.00763	3.3
89.02312	2.3
95.01284	1.9
99.00773	2.7
100.50946	1.5
101.02304	9.3
113.02354	11.8
118.97992	1.8
119.03412	3.0
119.04897	2.0
125.02345	1.6
133.02838	4.0
135.04382	3.9
137.02312	4.3
145.02856	4.3
146.80324	1.4
152.99464	1.9
160.01547	1.9
161.02336	11.5
161.04427	3.0
174.95923	1.5
175.03839	3.3
177.01781	1.8
179.03368	2.1
193.04976	2.2
203.76418	1.5
287.22177	1.9
324.92941	1.6
371.26093	3.3
457.73123	1.7
489.34286	36.1
490.34497	5.9
507.35388	17.0
508.35587	2.6
549.36597	3.1
593.21387	3.3
593.31165	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	594.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.4
61.98702	100.0
62.98407	0.2
67.89769	0.1
69.25880	0.2
71.01257	1.1
71.61965	0.2
72.99193	0.1
73.02813	0.2
78.95786	0.9
83.01238	0.2
85.02836	0.4
88.98734	0.2
89.02325	0.4
93.03363	0.2
98.20176	1.1
101.02350	0.4
113.02346	0.5
119.04843	0.2
123.04420	0.1
125.02398	0.2
126.02091	0.1
128.83476	0.1
134.03641	0.2
135.04498	0.2
137.02333	1.4
142.57785	0.1
145.02872	0.5
151.00317	0.2
152.99510	0.3
161.02382	0.3
171.00548	0.2
177.01805	0.2
179.03413	0.3
197.11772	0.9
280.74213	0.2
323.13925	0.2
415.14441	0.3
529.74506	0.2
594.32196	0.7
595.32385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82866	0.3
59.01251	1.0
60.66638	0.3
61.98704	100.0
71.01270	1.1
71.51629	0.5
72.29381	0.3
73.02827	0.3
78.95776	0.5
78.98473	0.3
79.95622	1.4
80.96394	7.0
82.95988	0.4
93.90076	0.3
94.97973	1.4
101.02292	0.3
113.02348	0.4
121.02852	11.3
122.03168	2.7
131.41656	0.3
134.97473	0.3
141.06459	0.3
146.45692	0.4
164.98573	0.9
165.01813	0.4
186.65433	0.3
199.71274	0.3
209.04509	5.3
209.11789	0.6
210.04839	1.9
212.46713	0.3
225.00691	1.9
295.22830	0.3
506.11661	0.5
550.10895	0.9
594.13751	1.4
594.26703	7.1
594.47235	0.3
595.27698	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	595.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	3.2
57.03323	1.9
59.00954	3.4
59.01250	57.1
61.98703	43.0
68.13708	1.6
71.01252	29.8
71.52013	2.0
72.99174	3.0
73.02814	7.5
75.00756	2.3
78.95778	2.9
83.01262	5.1
85.02824	13.3
87.00752	3.4
89.02319	7.8
93.03326	2.3
95.01260	2.1
99.00783	3.4
99.04388	7.5
101.02313	24.6
111.00796	3.2
113.02348	9.4
117.03339	9.2
118.03719	1.8
119.03373	4.9
119.04917	39.2
121.02798	2.9
125.02337	3.1
132.05685	3.1
133.02853	3.1
133.06488	14.1
135.04405	9.0
145.02864	50.8
146.03186	3.0
147.04398	3.3
151.00301	11.5
158.67107	1.5
159.04422	1.7
161.02328	4.9
161.04593	3.3
161.05966	31.4
163.03923	47.5
164.04195	3.0
165.12767	3.6
177.05493	13.7
179.03436	3.6
205.05014	30.1
207.13817	7.5
209.09842	2.6
209.11725	19.1
210.11928	1.8
225.14891	4.0
235.06126	13.7
251.12790	4.9
265.07159	37.0
266.07477	3.4
269.13925	100.0
270.14206	9.6
273.31754	1.6
287.05566	5.1
307.08005	3.3
325.09283	9.4
414.01581	1.7
433.27963	19.2
449.20392	19.5
479.29816	1.7
595.14008	4.2
595.23877	48.8
595.33167	70.4
596.25409	10.7
596.33655	9.2
606.69904	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.24
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92529	0.2
57.03320	0.2
58.00478	0.2
59.01254	8.8
61.98705	2.4
62.02745	0.2
68.87622	0.2
69.03328	0.3
71.01254	4.9
71.21188	0.1
72.99185	0.4
73.02817	1.0
75.00735	0.3
78.95770	0.2
83.01255	0.6
85.02821	2.4
86.22385	0.1
87.00748	1.4
89.02325	2.6
89.03833	0.2
93.03352	0.6
95.01290	0.9
97.02823	0.3
99.00754	0.5
101.02325	2.0
103.03917	0.2
108.02031	0.2
109.02836	0.2
111.00816	0.2
113.02340	3.7
117.03355	23.9
118.03679	1.0
119.03407	0.8
119.04917	9.6
120.05263	0.3
123.04356	0.2
125.02351	0.7
127.03875	0.3
131.03445	0.2
133.02834	0.3
133.06496	0.1
135.04427	0.5
137.02275	0.4
143.03452	0.4
143.04930	2.0
145.02864	100.0
146.03203	4.7
151.00322	0.2
152.99554	0.2
155.03401	0.3
159.37473	0.1
161.02396	0.7
161.04488	0.6
161.06015	0.9
163.03937	7.2
164.04272	0.2
179.05505	0.4
179.07080	1.4
187.03938	1.9
197.11807	0.3
203.05571	0.5
205.05013	1.7
223.06096	4.1
223.08200	0.1
224.06427	0.3
291.08615	0.1
397.13776	0.2
407.19385	1.0
433.28021	0.6
434.28851	0.2
449.19827	0.6
480.78723	0.2
535.21368	0.2
553.22949	1.0
554.23694	0.2
595.24048	11.4
595.33099	2.0
596.24207	2.4
596.32861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	2.8
59.01250	44.8
60.01553	1.1
61.98703	25.2
71.01254	9.4
71.51311	1.4
72.99162	1.8
73.02808	1.1
78.94147	1.1
78.95752	1.0
80.47613	0.9
83.01247	1.1
83.04896	1.0
85.02816	4.1
87.00744	2.7
87.90558	0.9
88.98667	2.1
89.02339	5.4
90.01493	0.9
90.79230	0.9
91.42664	0.9
93.03336	2.2
95.01260	0.9
97.02781	1.2
99.00729	1.0
99.04395	7.1
101.02320	5.8
108.02048	1.2
113.02328	7.0
117.03352	7.6
119.03389	2.6
119.04916	43.1
120.05201	0.9
121.02830	3.8
121.06491	4.5
122.99128	1.0
123.04353	1.7
130.93474	1.1
131.04868	1.2
132.05695	2.7
133.02846	1.7
133.06496	12.0
134.03667	1.0
135.04407	3.4
137.02315	1.7
145.02856	36.9
146.03160	2.9
147.04359	2.1
149.05940	1.4
153.05411	1.2
159.04460	1.7
161.02338	1.9
161.04573	2.5
161.05991	28.2
161.09570	1.7
161.13254	1.6
162.01631	0.9
162.03120	1.4
163.03912	43.9
164.04266	2.6
165.05476	5.0
165.12721	3.2
168.36113	1.0
171.02974	1.0
175.03889	1.5
177.05496	10.2
187.03955	2.2
187.11183	2.9
189.09050	1.6
189.12720	1.4
191.06956	1.1
197.11717	1.2
205.05013	28.0
206.05420	1.8
207.13857	7.6
209.11766	23.6
210.12090	1.7
223.13359	6.7
225.14900	4.3
235.06079	15.4
235.08348	1.3
236.06488	1.7
251.12860	4.8
265.07162	30.9
266.07571	2.2
267.12256	7.5
269.13934	100.0
270.14261	7.0
285.04059	1.0
309.13531	1.4
325.09195	9.4
328.55630	1.0
339.14648	2.5
369.15576	9.5
370.15607	1.0
421.93231	1.2
429.17484	8.2
449.20294	21.2
450.20334	2.1
575.58118	1.1
595.23901	54.0
595.32379	3.1
596.24194	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2805
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
59.01234	0.8
60.73935	0.4
61.98700	4.6
63.44778	0.4
63.96098	1.2
64.01972	0.5
65.03867	0.4
69.03316	0.9
70.38800	1.0
70.39163	1.1
71.01254	7.1
73.02807	1.8
73.12908	0.5
74.13272	0.4
74.78033	0.5
78.98468	5.3
79.95608	10.1
79.96033	0.4
80.50497	0.5
80.96387	64.4
81.96339	1.0
85.02820	2.5
87.00734	2.3
91.03899	0.5
94.97958	14.1
95.01295	0.7
96.95917	1.2
97.02785	0.8
99.00763	1.1
101.02336	1.9
106.97946	3.0
112.04003	0.5
121.02841	15.9
122.03201	5.5
122.97475	3.4
123.03378	1.2
125.02364	3.0
127.03912	0.5
134.97462	4.2
136.99020	1.3
148.99039	5.0
152.98528	6.4
164.98544	12.7
165.01840	1.0
203.43542	0.5
206.99649	2.2
209.04510	8.2
209.11728	0.9
210.04826	5.3
211.04958	3.3
225.00684	16.6
226.00928	1.0
252.21452	0.5
257.24060	0.5
277.21646	0.8
295.22787	1.1
299.04382	2.6
401.89050	0.5
505.11411	0.5
551.10614	1.4
595.14557	2.9
595.27893	100.0
596.28223	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	595.2891
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
54.02479	0.5
55.43702	0.4
59.49568	0.5
61.98690	1.2
62.96275	0.9
78.95777	70.6
89.40748	0.5
96.96844	12.8
104.33854	0.5
106.62909	0.5
150.97942	1.0
152.99495	100.0
153.99886	1.6
171.00536	2.9
192.91557	0.5
194.12920	0.5
209.11789	1.6
223.00101	10.6
241.01147	26.7
242.01471	1.2
259.02213	1.6
279.23294	64.7
280.23636	7.7
289.01050	0.5
315.04874	19.1
316.05307	0.7
323.57544	0.5
333.05984	1.4
558.16779	0.6
585.81476	0.5
595.28912	96.0
596.29187	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	595.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24873	0.7
61.98702	1.2
68.16965	0.7
70.04469	0.7
71.01275	0.9
78.95776	78.4
88.40648	0.7
89.78059	0.7
96.96844	15.8
98.19665	1.6
130.65041	0.8
150.97893	1.0
152.99492	68.2
153.99818	1.2
171.00557	1.1
209.11679	1.1
223.00099	1.9
225.11261	1.2
234.44945	0.9
241.01147	34.8
266.56332	0.8
279.23288	66.7
280.23572	7.1
295.22882	1.4
303.00226	0.7
315.04913	11.3
342.74588	0.8
415.22540	5.9
433.23438	0.8
595.28888	100.0
596.29218	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	595.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65513	0.8
55.01754	2.3
57.03318	2.5
58.00484	4.5
59.01252	72.7
61.98700	9.3
69.16070	5.7
71.01254	49.6
72.99187	6.9
73.02814	6.5
74.65656	0.9
75.00754	2.6
83.01257	6.3
85.02823	13.8
87.00748	4.5
89.02319	44.2
93.03339	0.9
95.01278	4.2
99.00737	4.7
101.02321	39.0
102.02631	1.1
103.03905	0.9
108.02062	1.2
111.00764	1.1
113.02335	19.5
119.02583	1.6
119.03393	24.6
119.04830	1.4
121.02841	1.6
123.04447	1.2
125.02303	1.7
126.12421	0.7
131.03410	2.2
133.02835	2.1
135.04427	6.9
136.04752	1.4
137.02361	1.8
143.03409	3.7
145.02870	1.8
149.02357	1.5
149.04471	2.9
151.03831	0.8
153.01930	0.9
161.02322	3.6
161.04449	4.0
165.05388	1.8
177.01840	0.9
179.03448	7.5
179.05510	10.1
180.03770	4.9
180.05714	0.9
181.03807	1.3
227.03430	1.2
228.03741	1.0
255.02956	1.4
257.03802	1.1
271.19089	0.9
284.03296	1.2
285.03922	3.5
286.04181	2.5
287.04538	2.1
380.47421	1.0
397.13391	0.9
415.23288	2.1
433.18686	1.4
433.24432	22.4
434.24731	2.4
495.24384	3.6
562.59161	0.9
565.19208	2.0
577.19751	0.9
595.15143	4.3
595.21710	3.9
595.29724	100.0
596.21643	1.2
596.30145	17.8
596.39777	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86951	1.1
54.92971	0.9
57.03324	1.6
57.44975	0.9
58.00461	4.9
59.01249	75.6
60.01566	1.1
61.98700	100.0
68.99673	1.1
69.17739	8.1
71.01253	63.4
72.99174	7.9
73.02816	5.0
78.95787	1.1
83.01259	5.3
85.02818	15.7
87.00756	4.4
87.04388	1.1
87.95119	1.0
89.02312	67.4
93.03325	2.3
95.01256	8.4
96.57073	1.2
98.20569	2.6
99.00758	2.9
101.02322	40.1
103.82979	0.9
108.02048	1.9
109.02856	1.3
113.02325	24.0
119.02575	2.1
119.03389	27.9
119.04744	1.2
121.02842	2.5
123.00739	4.1
123.04370	1.2
124.03922	2.4
125.02333	2.1
125.03458	3.2
127.00188	1.1
131.03441	2.6
133.02838	1.2
134.03625	2.6
135.04395	2.6
137.02348	6.9
139.00240	3.5
139.03880	2.7
143.03386	4.7
145.02835	3.3
149.04454	4.1
150.03110	1.7
151.00249	2.5
151.03807	1.2
152.01080	2.3
153.01830	3.6
153.05481	1.9
160.01572	3.4
161.02385	1.3
161.04495	8.7
162.03127	1.8
166.02684	1.9
175.02597	1.6
175.03853	8.0
177.01860	2.1
177.05484	2.1
178.02644	1.4
179.05487	15.1
181.04956	2.3
191.03465	1.4
192.04213	2.6
193.04967	4.7
203.03433	4.2
207.06633	2.9
209.04514	1.3
211.43799	1.2
218.05841	5.2
219.06691	1.4
233.08200	2.3
271.02509	1.2
285.03946	1.6
287.09360	1.2
297.07587	1.5
300.02573	3.2
327.08679	1.5
337.09167	2.3
343.08148	1.6
355.08270	2.3
358.10544	3.9
359.11380	1.9
373.09384	1.6
373.13007	13.7
374.13287	1.5
385.13007	5.5
386.12854	1.2
403.14218	6.8
404.14413	1.4
418.12817	2.6
433.15103	43.1
433.24133	12.9
434.15344	8.6
434.24774	1.8
479.21259	1.4
535.27600	38.7
536.27942	5.9
595.20013	21.5
595.29614	41.2
596.20544	7.3
596.29926	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	595.3332
Annotation	L 681512-2
Peak:m/z	Relative Intensity
50.12733	0.4
55.01752	1.2
57.03321	0.9
59.01251	13.2
60.70362	0.4
61.98705	4.7
69.03313	0.8
71.01254	15.4
72.99164	1.3
73.02821	3.4
78.95757	1.1
83.01261	2.7
85.02826	5.8
87.00741	1.9
89.02326	3.1
95.01256	1.1
97.02796	0.9
99.00747	0.9
101.02327	7.7
103.60769	0.5
109.68855	0.5
111.00764	1.2
112.01476	0.5
113.02347	3.4
119.03392	0.9
124.01521	0.5
125.02339	1.8
137.02437	0.5
145.02879	0.6
150.50691	0.5
161.02342	0.9
179.03355	0.7
183.13847	1.3
225.22101	0.7
227.12630	0.5
229.74536	0.5
253.21722	0.8
271.22791	18.8
272.23184	1.4
291.33405	0.6
399.42178	0.6
415.26947	5.6
416.15793	0.5
416.27383	0.8
417.97360	0.5
433.28049	29.6
434.28149	2.4
441.16748	0.6
501.32062	1.0
577.31952	1.1
583.89539	0.5
595.33313	100.0
596.33704	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	595.3336
Annotation	L 681512-2
Peak:m/z	Relative Intensity
51.73474	0.4
54.38389	0.4
55.01757	3.7
57.03327	2.4
58.00463	1.5
59.01252	29.0
61.98703	13.0
69.03331	0.6
70.39499	0.4
71.01254	33.8
71.51867	0.4
72.01590	0.5
72.99174	2.5
73.02819	10.4
75.00740	1.0
78.95781	0.6
83.01266	6.6
84.06712	0.4
85.02824	16.9
85.99997	0.4
87.00751	2.9
89.02323	12.4
93.03362	0.4
95.01252	2.6
97.02828	1.2
99.00752	4.5
101.02327	26.9
102.02711	0.6
107.01274	0.7
109.17155	0.4
111.00770	2.4
113.02338	12.0
117.03362	2.6
119.03395	4.9
119.04919	1.8
121.02851	0.7
125.02322	1.1
129.01791	1.1
131.03410	0.9
133.02869	1.3
135.04401	4.8
137.02336	0.5
141.01872	0.6
143.03352	0.7
145.02861	9.9
146.03181	0.7
150.03027	0.4
151.00290	4.1
151.01407	0.6
159.02902	1.8
161.02374	3.4
161.04466	4.3
161.05807	0.7
162.04788	0.4
163.03839	2.3
165.05431	0.5
177.01770	0.4
179.03458	0.8
179.05519	1.8
205.05070	0.5
209.11801	0.5
269.14001	1.2
271.22900	0.9
287.05597	2.8
305.42810	0.4
433.28073	26.5
434.28464	2.7
456.58237	0.5
480.11325	0.4
519.19556	1.2
563.18280	0.9
595.33392	100.0
596.33813	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	595.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.2
57.03315	2.7
57.03585	1.0
58.00475	1.0
59.00956	1.5
59.01252	30.8
60.01586	0.9
61.98705	33.4
65.00199	0.8
69.03328	0.8
71.01254	35.2
71.51626	0.8
72.99182	2.5
73.02817	8.8
75.00756	1.1
78.95805	0.9
83.01263	9.0
83.61574	0.8
85.02829	16.8
87.00749	4.7
89.02324	13.6
95.01252	2.6
99.00758	4.0
101.02327	24.5
102.02643	0.9
103.63622	0.8
107.01334	0.9
109.02863	1.3
111.00764	3.5
113.02338	12.5
114.89278	0.8
116.76983	0.7
117.03372	2.2
119.03409	5.2
119.04895	1.5
120.99513	0.8
122.08530	0.8
125.02285	1.1
129.01788	1.2
133.02835	0.9
135.04407	2.9
137.02335	1.9
143.03372	1.5
145.01794	1.2
145.02852	9.7
151.00261	1.8
151.03966	1.1
159.02959	1.2
161.02319	2.5
161.04453	2.3
163.03876	1.6
164.15437	0.8
175.03929	0.9
177.01836	0.8
179.03387	1.7
179.05568	1.4
215.89784	0.8
245.01047	0.7
253.04774	1.1
271.22818	0.9
287.05630	1.4
313.98450	0.9
386.59659	0.8
405.65219	1.1
433.28088	20.6
434.28406	2.6
595.33374	100.0
596.24768	0.8
596.33813	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	596.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	13.7
60.01584	1.2
61.01678	1.3
61.98703	100.0
69.40672	3.0
71.01260	3.9
72.99194	1.4
73.02834	1.1
75.00745	1.0
76.06424	0.5
76.78768	0.4
83.01243	0.8
85.02816	2.4
87.00752	0.6
89.02309	1.1
93.03312	0.5
95.01290	0.6
96.95901	1.1
98.19767	0.8
99.00751	0.7
101.02314	2.2
109.02864	1.0
113.02349	2.4
117.03342	0.9
119.03394	0.8
119.04931	1.2
121.02876	0.7
123.04417	1.2
125.02332	0.4
133.02844	2.1
134.03476	0.5
135.04416	3.6
137.02348	1.1
145.02843	3.7
149.02377	1.0
150.03215	0.5
151.03905	0.6
160.03873	0.5
161.02373	3.8
161.04422	0.7
162.02736	0.6
163.00285	0.5
163.03960	1.0
165.05513	0.5
167.03392	0.6
179.03407	6.3
180.03754	2.6
181.03941	0.8
185.11925	0.6
209.04594	1.2
210.04953	1.2
211.05080	0.5
257.49103	0.5
288.06473	0.7
508.13016	0.7
535.28558	0.5
596.29059	1.7
597.16516	0.8
597.31873	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.22
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02858	0.4
59.01245	2.5
61.98701	100.0
62.98398	0.3
71.01263	1.9
71.51050	0.2
72.01582	0.2
72.99200	0.3
73.02825	0.3
75.00771	0.3
84.60699	0.2
85.02836	0.7
87.00774	0.6
88.76559	0.2
89.02320	1.7
95.01257	0.3
95.25232	0.2
99.00800	0.5
101.01736	0.3
101.02315	1.4
102.01861	0.8
113.02365	1.1
117.42850	0.2
118.47929	0.2
119.03397	0.6
121.02875	1.0
123.04469	0.3
126.82305	0.2
127.67563	0.2
137.02356	0.3
151.03935	0.4
152.50703	0.2
161.02443	0.2
161.04454	0.4
162.03090	0.2
165.82829	0.2
173.05910	0.3
178.05873	0.2
179.03453	0.3
179.05563	0.5
209.04550	0.6
213.15627	0.2
282.14700	0.2
381.23904	0.2
417.21683	0.3
580.67395	0.2
596.21869	0.5
596.30841	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37004	0.2
59.01246	1.1
61.98701	100.0
66.12697	0.2
71.01269	0.7
77.29940	0.2
85.02821	0.4
95.10204	0.2
113.02319	0.3
117.03360	0.4
133.02771	0.3
134.03607	0.3
135.04408	0.4
137.02399	0.2
145.02863	1.2
145.85959	0.2
151.03952	0.3
160.01595	0.3
161.02322	0.5
175.03976	0.3
229.67232	0.2
235.06277	0.3
332.47452	0.2
334.14856	0.2
379.45596	0.3
387.14529	0.5
533.24103	0.7
534.24182	0.2
561.29370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58654	3.6
54.01245	4.1
59.01250	95.2
61.98704	20.4
70.80094	6.1
71.01251	21.9
73.02811	7.7
74.00227	4.1
85.02820	9.4
87.00743	4.7
88.63792	3.8
89.02308	16.5
93.03333	18.2
99.00758	10.2
101.02319	12.9
101.25427	4.0
108.02002	4.0
109.02848	14.0
113.02332	7.0
115.00271	4.0
121.02874	23.1
122.03668	8.4
123.04405	4.3
133.02861	6.4
137.02322	13.4
139.03918	26.0
146.03595	11.9
149.02370	53.3
150.03127	86.8
151.00241	4.5
151.03841	4.7
152.01131	4.3
153.01855	20.7
155.23964	3.8
161.02342	13.2
161.06148	4.0
164.04692	18.0
165.05478	100.0
166.02612	7.5
168.42155	4.6
179.03534	4.5
179.05635	4.4
179.07059	24.4
179.53371	4.1
180.04355	5.1
181.05052	6.4
195.06549	81.8
196.06837	6.5
253.51686	4.0
283.10300	5.0
295.08249	6.6
297.06198	16.7
312.09961	26.5
327.08789	3.0
327.12347	79.7
328.12646	12.0
337.09332	7.8
375.14511	33.5
417.15616	4.6
435.09137	19.3
436.09488	4.6
529.15247	6.6
537.04968	4.1
597.17133	15.6
597.25067	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3312
Annotation	Cyl-2
Peak:m/z	Relative Intensity
52.24070	0.9
59.55136	0.8
63.96088	1.0
70.02820	3.7
71.01250	7.3
71.34277	1.0
71.63148	0.8
73.02814	1.2
74.45292	0.8
78.98456	4.8
79.95605	8.2
80.96391	60.8
85.02818	1.8
87.00771	1.9
94.97967	11.7
101.02348	2.2
106.97989	3.4
122.97488	2.8
125.02362	2.8
126.09577	1.1
134.97478	4.1
136.99071	1.3
148.99054	7.0
152.98534	4.3
164.98544	10.4
168.08162	0.9
200.88948	1.1
206.99611	2.0
225.00693	12.1
253.61177	1.2
297.27979	2.3
299.04358	4.5
332.65640	1.2
556.40564	1.0
571.54651	1.1
597.33148	100.0
598.33484	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	597.387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71774	0.4
57.03307	0.6
59.01251	5.8
61.98701	18.6
71.01251	5.9
71.53164	0.6
72.99174	1.3
73.02802	1.3
73.03195	0.5
75.00750	2.2
78.95775	0.4
81.03326	11.8
83.01251	1.0
83.04893	38.4
84.05257	0.6
85.02835	2.4
87.00756	0.8
88.64348	0.4
89.02324	2.7
93.03368	0.8
95.01235	0.8
99.00755	1.3
100.07565	6.2
101.02317	3.1
107.04954	0.5
108.02055	0.7
108.04411	0.6
109.02811	0.8
111.00813	0.6
113.02340	3.1
117.03375	0.6
119.03426	0.5
119.04910	1.0
126.05486	1.1
127.03873	0.6
133.02838	0.7
134.03606	0.5
135.04414	1.7
137.02319	1.2
139.03877	0.7
145.02869	2.2
149.21750	0.5
151.03885	0.6
153.05339	0.5
160.01567	0.5
161.02342	1.6
161.04485	0.7
165.01819	1.2
175.03812	0.8
179.03394	0.7
195.06636	0.5
199.18103	7.0
207.14964	0.7
225.16066	8.3
225.18159	0.9
239.05594	0.8
243.17111	19.5
244.17433	1.4
269.15036	1.0
284.03424	0.5
309.21628	1.2
351.05563	0.6
353.20813	7.6
354.21109	0.8
380.91122	0.5
451.33017	2.6
452.32465	0.5
469.33936	13.5
470.34271	1.9
497.26221	2.4
579.37946	2.2
580.38055	0.6
597.38696	100.0
598.39044	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	600.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98238	0.1
59.01255	1.4
61.98704	100.0
70.92043	0.3
70.92379	0.1
71.01259	1.0
72.99180	0.3
73.02819	0.3
75.00744	0.2
85.02809	0.7
89.02333	0.4
89.53502	0.1
93.03339	0.3
95.01251	0.1
96.95901	0.4
99.00751	0.3
101.02341	0.6
106.13181	0.1
109.02865	0.3
110.12519	0.1
113.02361	0.6
119.03455	0.2
119.04951	0.3
121.02837	0.2
133.02859	0.4
135.04413	0.5
137.02357	0.5
145.02890	0.5
149.02341	0.2
150.03207	0.2
151.03847	0.1
152.01071	0.2
161.02333	1.6
161.04401	0.2
162.02664	0.1
164.04671	0.1
165.05550	0.2
167.03496	0.5
179.03427	0.6
185.02760	0.3
221.90193	0.1
243.06647	0.2
313.10565	0.1
375.20441	0.4
441.18585	0.1
491.44211	0.1
541.27057	0.4
558.00555	0.1
559.28180	0.2
600.27020	0.1
601.25970	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.4
70.86116	0.5
71.01228	0.5
75.78379	0.4
78.95776	54.2
96.95892	37.3
96.96838	100.0
113.02326	0.5
118.46156	0.4
165.05493	0.5
179.05545	0.6
259.02191	3.8
308.48346	0.4
427.82224	0.4
503.16116	0.8
546.50745	0.4
601.13605	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	602.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.6
61.98701	100.0
62.98398	0.3
71.01250	1.2
72.99198	0.2
73.02834	0.3
75.00735	0.2
78.95793	0.3
83.01266	0.3
85.02834	0.4
87.00745	0.2
89.02328	0.7
92.45333	0.1
93.03320	0.2
95.01270	0.2
95.04902	0.2
96.95878	0.3
99.00758	0.3
101.02307	1.0
102.58395	0.1
108.02081	0.1
109.02848	0.3
113.02335	0.8
117.03363	0.8
118.03671	0.2
119.03472	0.3
119.04913	2.5
120.05263	0.3
121.02886	0.3
121.10250	0.1
123.04414	0.3
125.02379	0.2
125.15469	0.1
128.03485	0.1
133.02855	0.6
133.06494	0.3
134.03621	0.2
135.04407	0.4
137.02359	0.7
145.02850	2.2
146.03221	0.5
149.04399	0.2
161.02351	1.1
161.04449	0.2
161.06026	0.4
162.06435	0.2
163.03922	1.9
164.04297	0.6
165.05531	0.3
175.04105	0.2
177.01932	0.3
177.05537	0.2
179.03432	0.5
179.05617	0.2
193.04993	0.2
199.94742	0.2
205.05058	0.5
206.05440	0.3
235.06076	0.2
265.07236	0.2
266.07394	0.2
270.08878	0.2
307.08469	0.2
452.14804	0.1
455.15460	0.2
455.41989	0.2
456.15884	0.2
503.25290	0.2
602.19611	1.8
602.29205	0.2
603.20563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23877	0.1
55.01760	0.2
57.03321	0.3
58.00473	0.2
59.01252	8.5
61.98703	0.6
62.14352	0.1
68.99697	0.2
69.03316	0.2
69.39015	0.6
69.39444	0.4
71.01254	3.8
71.26723	0.1
72.99180	0.4
73.02819	1.4
81.03331	0.2
83.01244	0.6
85.02822	2.3
85.03290	0.2
87.00768	0.5
89.02341	0.9
91.05029	0.1
93.03348	0.3
95.01266	0.4
96.95883	0.2
97.02838	0.2
99.00745	0.7
101.02324	2.8
103.03877	0.5
103.11076	0.1
109.02849	0.2
111.00779	0.2
113.02339	1.8
115.05438	0.1
117.03350	22.2
118.03659	0.8
119.03458	0.3
119.04917	10.2
120.05273	0.2
121.02782	0.1
125.02324	0.3
127.03890	0.3
133.02808	0.1
133.06514	0.1
134.03598	0.2
135.04410	0.2
137.02353	0.3
143.03427	0.3
143.04930	2.9
145.02856	100.0
146.03188	4.6
147.04428	0.2
159.02896	0.3
159.04230	0.1
161.02365	0.2
161.04463	1.2
161.05986	1.1
163.03922	6.7
164.04239	0.2
177.05423	0.2
179.03412	0.1
179.07063	0.2
187.03943	2.0
205.04987	2.6
206.05382	0.2
223.06067	0.5
269.10242	1.6
311.11340	0.3
397.13998	0.1
415.16150	2.0
457.16605	1.1
458.17297	0.1
506.13290	0.2
543.19031	0.2
543.28351	0.3
561.19659	1.8
561.29059	0.5
562.19818	0.3
603.20789	11.1
604.21118	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11456	2.2
51.91628	2.0
53.82996	1.9
59.01250	42.2
61.98703	33.6
64.66409	2.4
69.76795	1.9
70.36114	2.7
71.01247	12.2
71.51676	3.6
73.02830	2.8
75.00753	2.7
78.95770	4.6
81.03323	3.4
82.17812	2.0
83.04901	2.2
89.02316	9.1
97.02834	4.7
97.06476	4.5
99.00747	2.6
99.92467	2.5
101.02308	11.4
109.84634	2.0
113.02332	5.7
115.72315	2.1
115.91958	17.0
119.03364	4.9
123.04404	4.7
125.09603	7.8
142.35956	2.4
145.02844	3.5
152.99556	2.5
153.97833	2.0
163.11194	9.3
185.11734	5.2
185.71913	2.1
191.10753	3.1
191.14441	11.3
202.27132	2.4
207.10159	4.9
209.11757	24.9
225.11229	4.1
237.11264	4.9
245.19078	18.1
253.09242	42.3
263.20200	5.1
271.17044	3.1
272.77878	2.2
289.18109	94.6
290.18411	8.6
307.19131	100.0
308.19363	10.8
416.30170	2.3
485.33511	2.6
503.33658	7.4
522.94971	2.5
543.27893	4.0
603.26215	9.3
604.28149	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	603.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	4.7
60.99173	9.5
61.98719	2.1
70.85047	2.1
70.85378	3.1
76.91311	1.4
78.95775	16.0
87.00747	5.7
88.00265	10.3
88.01123	2.1
88.98678	71.0
89.02318	100.0
90.06371	1.8
96.95891	3.7
96.96856	3.2
99.25848	1.9
112.42494	1.5
117.03400	1.7
135.90012	1.8
145.02876	10.9
152.99490	9.9
168.04172	1.8
171.10211	11.8
295.22723	5.5
307.09546	6.1
382.98892	2.0
431.21674	3.7
471.34872	3.9
603.36877	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	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37148	0.9
59.01244	3.7
60.99177	7.1
61.41832	0.9
71.52135	0.8
76.67750	0.8
78.95786	2.3
87.00737	6.0
88.00272	9.6
88.98099	1.1
88.98679	37.5
89.02318	100.0
90.02654	1.6
101.99933	0.8
117.03322	2.3
119.04947	0.9
140.06578	0.8
145.02843	5.6
152.99521	1.8
171.10139	1.3
277.21689	2.3
281.08319	0.9
344.30417	0.8
603.37268	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	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74488	1.6
54.64793	1.5
57.03312	3.8
59.00951	3.3
59.01250	65.5
61.98702	26.3
65.00993	1.6
71.01260	12.8
73.02821	4.2
75.00735	2.6
78.95749	3.6
81.03324	2.9
83.01249	5.1
83.04890	4.3
85.02821	5.5
87.00741	2.5
89.02331	8.7
97.02840	3.2
97.06452	5.1
99.00776	1.7
101.02306	13.4
113.02312	11.5
119.03456	2.7
123.04436	3.8
123.08058	3.7
125.09608	7.3
135.04433	2.4
137.09604	3.4
138.52402	1.6
161.04436	4.7
163.11197	10.4
165.12759	2.5
171.10170	3.8
181.12274	2.2
185.11748	9.4
191.14355	11.7
207.10204	4.3
209.11763	61.3
210.12048	5.2
211.13298	2.6
211.27573	1.9
213.53973	1.8
225.11247	5.3
227.12804	4.7
237.11301	5.4
245.19051	19.8
253.09271	40.2
254.09554	2.7
263.20142	4.7
271.16891	1.9
289.18094	100.0
290.18521	13.5
307.19141	97.8
308.19638	9.3
394.27548	1.8
439.30804	1.8
543.27838	2.2
603.36737	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	604.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73430	0.5
59.01249	1.3
61.98703	100.0
69.76086	2.0
69.76505	0.9
71.01277	1.2
72.67889	0.5
78.27759	0.5
78.95787	2.1
79.49475	0.5
96.95870	1.1
112.57086	0.5
118.49932	0.5
145.02861	1.1
152.99487	0.9
155.00359	0.5
209.11789	1.2
209.60071	0.6
363.78113	0.6
470.25217	0.6
485.32938	1.2
488.34955	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01437	5.7
59.01251	100.0
61.98697	36.2
69.03336	5.1
69.55490	36.1
71.01249	63.6
71.04910	5.1
72.99168	10.6
73.02814	27.5
75.00770	6.1
78.95780	7.4
80.93396	5.0
81.03368	7.0
83.01269	15.0
85.02834	24.5
87.00761	12.2
89.02301	31.9
92.05501	5.3
93.03364	6.2
96.95892	14.4
98.20527	11.5
99.00754	11.4
101.02337	38.8
104.77254	5.7
111.00747	9.3
113.02351	44.5
117.03355	9.8
119.03398	12.4
119.04907	16.3
123.04463	13.4
125.02332	15.4
131.03421	6.1
132.55835	5.9
133.02849	27.3
135.04420	30.4
137.02316	11.2
143.03389	7.4
145.02881	20.9
147.02878	7.3
151.00325	5.8
151.03975	7.2
161.02356	62.5
161.04488	23.8
163.03929	15.1
165.05489	13.6
167.46838	6.0
175.03893	7.3
177.01833	8.8
179.03468	32.8
218.67026	5.6
256.93127	6.9
339.12427	15.3
355.12482	8.1
372.92114	5.4
461.14612	16.7
536.25543	6.5
573.78943	6.8
605.24268	38.8
632.10120	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	605.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03833	0.3
51.68643	0.3
54.42632	0.3
55.01750	0.3
57.03320	0.6
59.01251	18.7
61.98690	1.5
71.01254	8.9
72.99171	1.0
73.02810	1.0
78.95783	1.0
85.02824	7.3
87.00742	0.6
89.02323	4.3
95.01274	2.8
95.39014	0.3
96.87546	0.4
96.95871	0.4
97.59109	0.3
98.20582	0.6
99.00726	0.4
101.02329	2.8
104.02589	0.4
109.02898	0.4
113.02333	15.2
114.02654	0.4
117.03329	0.8
119.03387	1.2
121.02828	0.8
123.04394	0.4
125.02344	0.4
132.02068	15.1
133.02870	3.7
134.03639	11.4
135.04373	1.4
137.02330	1.1
143.03412	1.0
145.02827	0.6
147.04401	0.5
149.02310	1.1
149.05977	1.6
150.03127	1.7
152.99518	0.7
155.40091	0.3
159.10168	0.4
160.01575	58.5
161.02347	9.2
161.04390	2.5
162.02733	0.6
163.03914	0.5
175.03926	100.0
176.04279	5.8
178.02675	0.6
179.03398	2.0
183.08646	0.4
191.03351	0.5
193.04996	12.1
194.05301	0.7
209.11673	0.6
243.06183	0.3
255.50833	0.4
354.82828	0.4
361.10562	0.4
429.17670	1.3
545.34937	0.6
590.20404	0.5
591.20953	1.4
605.22479	19.9
605.31372	1.2
606.22925	4.4
619.17236	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.3
64.71256	0.2
78.11094	0.2
78.95753	0.3
98.55942	0.2
106.06526	0.4
113.02320	0.3
162.05455	0.4
277.21475	0.4
394.11865	0.5
415.15179	0.7
416.16528	0.8
428.16193	0.4
429.17209	1.0
430.18008	1.5
431.18555	0.6
443.13977	0.3
443.18900	0.9
444.19714	0.4
453.16940	0.3
457.20621	1.9
458.21692	0.6
459.17731	3.4
460.18445	0.7
461.23813	0.4
469.20502	0.3
470.17444	0.3
470.21573	0.4
471.18088	1.9
472.18973	0.8
473.19620	4.9
474.20187	0.7
475.21530	0.7
485.18469	2.2
485.23999	1.3
486.20721	4.0
487.21390	1.5
496.19339	1.3
499.17575	2.0
500.17795	0.5
501.23904	2.6
502.23312	0.6
511.21393	2.2
512.21490	0.7
513.19269	3.2
514.20123	9.2
515.20264	1.5
517.18738	0.9
518.19562	1.9
519.19855	0.4
527.21362	0.3
528.21570	0.7
529.22455	100.0
530.22791	20.4
530.31128	0.4
532.21155	1.6
533.21997	2.1
545.21454	0.3
550.32941	0.3
561.25055	1.1
573.21484	0.9
574.20825	0.3
605.24219	1.1
605.37347	0.4
606.24121	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06014	0.7
58.40134	0.8
71.52485	1.0
83.66368	0.8
111.37181	0.8
145.02847	4.0
263.40106	0.8
309.86493	0.8
430.17871	0.9
457.20279	2.6
459.17746	3.7
470.21628	1.4
471.18057	2.4
472.18954	1.1
473.19763	6.5
474.20105	1.4
475.22510	0.8
485.24283	2.0
486.20477	5.5
487.20847	2.5
499.17804	2.5
500.17920	1.5
501.24048	3.7
502.23318	1.2
511.21274	3.4
512.21503	1.5
513.19434	3.1
514.20148	12.1
515.20465	1.3
517.18878	1.3
518.19586	1.9
529.22437	100.0
530.22784	22.1
533.22174	1.4
573.20984	1.7
585.63135	1.0
605.24109	3.5
605.38464	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	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61847	2.1
57.03334	3.0
59.01248	24.7
61.98426	2.5
61.98705	36.8
65.02023	1.5
70.27673	7.2
71.01250	19.3
71.04874	2.0
72.99186	2.8
73.02815	5.0
78.95776	27.5
78.98453	6.0
79.95593	9.9
80.73225	2.0
80.96391	69.3
81.45243	1.9
83.01241	2.7
85.02814	8.1
87.00732	4.7
89.02299	8.1
93.19762	1.9
94.97955	15.7
96.95894	2.7
96.96835	2.1
97.02819	4.1
101.02315	14.5
106.97990	2.7
113.02318	9.5
117.03302	2.6
119.03409	4.8
119.04915	3.5
122.97397	2.4
124.22646	1.9
125.02296	3.0
131.00504	2.1
133.02820	3.2
134.97415	4.0
135.04434	3.1
139.03914	1.9
145.02803	5.6
148.99037	5.2
152.98451	5.1
152.99550	3.2
154.36708	2.1
161.02356	3.1
161.04413	2.6
163.03908	2.7
164.98563	13.5
171.10158	3.3
179.03403	2.7
197.11726	13.8
201.11235	2.4
206.99593	1.9
207.10345	2.4
209.11771	9.3
211.13303	5.0
225.00604	14.0
227.12776	2.6
253.09285	17.2
291.19534	11.4
309.20715	41.4
310.21243	2.6
381.13089	2.2
605.22595	100.0
605.36322	8.3
606.23053	19.1
606.38544	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17472	3.2
56.26870	3.1
59.01255	36.5
60.52098	3.7
61.98702	100.0
69.58547	2.9
71.01260	24.4
72.61504	3.3
78.95778	64.0
81.13982	3.7
85.02798	7.8
89.02310	9.1
96.96850	6.1
97.02830	5.7
101.02330	18.0
108.77665	3.1
109.06457	7.0
111.08029	6.4
113.02327	11.7
119.76508	3.1
124.83566	3.1
127.45800	3.1
145.02808	3.4
152.99486	16.3
161.04417	5.4
163.11197	5.1
165.12703	3.7
171.10196	5.0
179.03320	4.8
183.13770	3.4
195.07370	3.1
197.11781	29.6
201.05519	4.0
207.10222	12.2
209.11783	15.1
211.13345	10.6
213.90498	3.4
223.13304	4.7
253.09258	39.4
291.19666	31.9
309.20676	79.8
310.21133	7.5
425.92105	3.6
431.64706	3.5
605.23700	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	606.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07373	0.2
59.01251	0.6
61.98703	100.0
62.98394	0.2
69.30625	0.4
69.31047	1.1
71.01241	0.2
72.97415	0.2
74.34584	0.2
78.95788	0.6
79.95606	0.3
80.72115	0.2
80.96404	0.7
82.26497	0.2
85.02812	0.2
94.98015	0.2
98.19746	0.3
108.02084	0.5
109.02876	0.3
117.03354	0.3
119.04947	0.2
121.02834	0.2
135.04465	0.2
144.05209	0.2
145.02863	1.2
152.01059	0.3
152.99530	0.3
209.11754	0.2
223.13318	0.2
225.00592	0.3
285.03992	0.3
290.90338	0.2
291.19708	0.3
343.30707	0.2
487.34647	0.2
503.34387	0.2
572.02252	0.2
607.24628	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	606.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86152	0.2
59.01246	0.5
59.27096	0.2
61.98702	100.0
62.98380	0.2
70.84500	0.3
71.01257	0.4
75.96876	0.1
78.95785	1.0
79.95643	0.3
80.96384	0.8
88.98701	0.2
94.97999	0.2
108.02051	0.8
108.16566	0.2
109.02835	0.3
113.02337	0.2
117.30830	0.2
145.02853	0.6
152.01079	0.5
152.99522	0.6
153.01866	0.3
164.98546	0.2
179.05605	0.2
225.00687	0.3
285.04050	0.2
291.19632	0.3
309.90054	0.2
607.24945	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	606.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.3
59.01260	1.4
61.98701	100.0
62.98404	0.4
63.96095	0.3
69.40726	1.5
71.01249	3.0
72.79049	0.3
73.02812	0.7
78.95788	1.2
78.98473	1.6
79.95603	4.2
80.96390	18.3
81.03324	0.3
85.02835	0.9
87.00759	1.2
89.02322	0.4
94.97951	3.7
96.96857	0.4
97.02868	0.6
101.02331	1.0
106.97997	0.7
108.02073	0.7
109.02847	0.4
113.02343	0.7
119.94563	0.3
122.97513	0.9
125.02364	0.9
134.97478	1.6
148.99066	1.7
152.01067	0.5
152.98514	1.0
152.99591	1.7
164.98534	3.0
172.17488	0.3
206.99658	0.8
209.11732	0.5
211.13310	0.3
225.00710	3.9
241.01128	0.6
242.42377	0.3
291.19626	1.4
299.04623	0.8
315.04974	0.3
367.71585	0.3
371.56976	0.3
606.38446	0.4
607.24310	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10848	1.5
59.01250	5.0
62.61788	1.2
65.00181	1.5
69.97067	1.3
71.01250	8.6
72.99187	5.4
73.02809	1.4
75.00739	2.2
83.01255	1.9
85.02821	4.0
87.00735	2.7
89.02316	1.6
98.19752	3.0
99.00758	7.9
101.02316	2.3
103.00267	1.8
105.88889	1.4
107.01268	2.1
109.02871	1.6
113.02317	6.7
115.00224	1.8
121.02873	1.5
127.00277	4.6
133.02838	7.9
149.02342	2.6
151.00259	4.3
175.03844	2.3
193.03487	2.3
222.49905	1.4
284.03351	3.3
285.04028	100.0
286.04361	9.8
301.03549	12.6
302.03802	1.7
327.05215	1.5
401.11179	1.3
461.07440	7.8
462.07162	1.6
607.09229	26.1
608.09680	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62714	0.2
59.01246	2.4
60.99219	0.7
63.02304	0.3
65.00232	0.9
67.01784	0.3
69.03368	0.3
69.33344	2.0
71.01253	5.8
72.99229	0.9
73.02859	0.4
83.01266	1.6
85.02816	1.9
87.00761	0.5
88.98679	5.0
89.02361	0.8
93.03381	0.3
93.23296	0.2
95.01268	1.1
96.95916	1.2
98.69579	0.2
99.00804	0.7
101.02313	1.2
107.01328	0.7
109.02888	0.6
109.08040	0.2
109.08906	0.3
111.00826	0.8
113.02338	3.2
115.00301	0.8
117.03386	1.5
119.03399	0.3
119.04916	1.8
121.02888	0.4
128.03419	0.4
131.03436	0.3
133.01392	0.3
133.02847	2.3
136.98758	0.8
137.02338	5.4
139.00304	0.5
143.04994	0.4
145.02858	4.5
146.03207	0.2
147.00813	0.4
147.04485	0.4
149.02367	0.6
151.00230	1.3
157.06477	0.3
159.04446	0.2
161.02420	0.8
163.00360	0.5
163.03868	0.6
164.98201	0.4
165.01833	1.3
167.03444	0.6
167.04961	0.4
169.06480	0.4
171.04468	0.9
173.04546	0.3
173.06017	0.3
175.02524	0.3
175.03969	1.0
177.01810	0.6
183.04422	0.4
185.06000	1.6
187.03931	1.8
188.04243	0.2
189.05566	0.3
192.00652	0.4
195.04514	0.4
197.05963	0.6
199.03993	0.8
201.05470	0.3
204.03923	0.2
209.11769	2.3
211.03929	0.9
213.05525	2.5
215.03477	0.7
217.05098	0.7
227.03479	0.3
229.05038	1.3
239.03412	1.0
240.04236	0.3
241.04993	1.6
255.02919	0.5
256.03625	0.7
257.04562	1.9
258.05078	0.3
267.02997	0.5
268.03662	1.0
269.04495	1.3
283.02567	0.4
284.03314	4.9
284.06430	0.2
285.04034	100.0
286.01212	0.4
286.04398	8.0
297.04025	0.6
299.05539	5.2
300.05759	0.4
303.07294	0.6
307.08319	1.4
321.08240	3.0
327.05099	1.8
357.05997	0.4
397.13391	0.6
399.59174	0.3
400.37994	0.3
415.14288	0.6
443.06125	0.3
473.10703	0.9
563.13879	0.3
607.12592	9.3
607.20642	1.5
608.13104	2.1
608.28772	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1304
Annotation	Luteolin 7-glucuronide-4'-rhamnoside
Peak:m/z	Relative Intensity
56.77636	0.3
57.03357	0.3
58.24612	0.3
59.01246	0.7
60.38267	0.3
63.02261	2.5
65.00185	1.7
69.63371	1.7
71.01250	4.3
72.99181	0.9
73.02853	0.3
83.01262	2.1
85.02824	1.5
91.75764	0.3
92.43797	0.3
95.01254	0.5
101.02302	0.4
103.75895	0.3
105.03330	0.6
107.01251	3.5
109.02831	1.7
110.92078	0.3
113.02317	1.4
115.00249	0.7
117.03355	0.3
121.02834	1.2
133.02844	10.4
149.02347	3.0
150.99144	0.4
151.00266	5.5
151.03940	0.4
171.04478	0.6
175.03917	2.9
177.01878	0.8
185.05988	0.6
197.06038	0.4
198.03101	0.5
199.03929	3.0
201.01884	1.1
213.05507	0.6
215.03444	0.7
217.04996	1.4
227.03369	0.4
229.04961	0.5
237.21097	0.3
239.03430	0.5
241.05074	0.8
243.02959	1.0
248.63513	0.3
255.02927	0.4
257.04575	0.7
267.02789	0.4
269.04510	6.1
284.03186	3.2
285.04022	100.0
286.04367	10.3
297.03943	1.9
298.04483	0.4
299.05515	0.5
321.08191	1.1
327.05063	4.1
337.07764	0.6
339.05121	0.4
357.06210	0.8
381.05215	0.3
399.06555	0.4
473.10843	2.3
480.63010	0.3
545.12634	0.7
563.13849	0.4
607.13007	21.1
608.13275	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	607.1672
Annotation	Diosmin 
Peak:m/z	Relative Intensity
55.46251	0.6
57.03361	1.2
58.37928	0.6
59.01246	5.4
61.98735	1.7
69.14960	0.7
70.65673	0.5
71.01247	4.3
72.99206	1.1
73.98879	0.5
79.52161	0.6
83.01294	0.6
85.02882	1.9
87.00757	4.9
88.98739	1.5
89.02335	3.0
95.01298	1.0
101.02386	2.4
105.01842	2.8
107.01344	0.8
111.00832	2.2
113.02352	3.3
117.03387	1.5
119.03421	1.0
119.04949	2.0
123.04498	0.8
133.02846	5.0
134.03635	0.6
135.04462	1.5
137.02356	0.8
145.02841	4.5
151.00291	1.7
161.02342	21.4
161.04382	1.1
162.02821	0.7
163.03946	1.8
169.81017	0.6
176.57022	0.7
179.03511	0.7
179.05556	0.7
187.03900	0.8
197.65108	0.6
211.04070	0.8
227.03409	1.0
255.02956	36.9
256.03513	4.2
268.03741	1.1
269.04562	3.8
270.04910	0.8
283.02499	17.2
284.03247	72.4
285.03876	12.3
287.57574	0.8
297.04028	11.3
298.04761	10.9
299.05588	100.0
300.05927	9.0
309.08472	0.7
315.09503	0.8
341.06558	0.9
443.09787	1.3
504.16998	0.7
575.18561	1.1
592.13489	0.8
607.16418	88.3
608.16791	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	607.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80178	0.5
57.03310	1.2
59.01250	9.0
60.46880	0.5
60.85064	0.5
61.98699	4.6
62.63553	0.5
64.13504	0.5
69.41173	3.3
71.01252	9.3
72.99191	1.6
73.02828	1.4
75.00745	1.0
81.03342	0.5
83.01289	1.1
85.02826	8.6
87.00745	1.1
88.98701	1.5
89.02313	3.9
93.03355	1.1
95.01264	2.9
96.95850	0.5
99.00751	0.8
101.02323	3.4
103.03882	0.4
105.03350	0.5
107.04915	0.5
108.02096	0.7
113.02334	13.7
114.02738	0.6
117.03367	1.6
119.03414	1.0
119.04929	3.4
121.02850	0.9
123.04384	0.8
125.02290	0.6
132.02066	1.8
133.02856	28.6
134.03273	1.8
135.04424	8.0
136.04716	1.1
137.02332	3.4
139.03928	0.6
141.01752	0.5
143.03409	0.7
145.02867	4.0
147.04442	0.7
149.02377	0.8
151.00229	0.5
151.03903	0.8
152.01067	0.6
156.08002	0.5
160.01508	1.5
161.02354	100.0
161.04527	2.7
162.02676	7.3
163.02750	0.6
163.03923	1.9
166.02623	0.4
167.03473	0.8
175.03926	0.9
177.01857	1.3
178.02431	0.6
179.03427	6.9
180.03847	0.5
184.14842	0.4
193.04973	0.7
193.77501	0.4
197.04596	0.6
203.96376	0.5
209.11774	1.5
235.06200	0.9
240.23705	0.5
269.04205	0.6
279.06720	0.5
284.03156	0.7
285.03973	1.5
307.08194	1.0
347.35889	0.4
371.11313	2.4
394.12094	0.5
397.13309	1.0
415.14542	0.6
426.16370	0.5
429.25171	0.6
443.12589	0.9
445.17172	2.1
445.22888	0.5
461.16708	0.5
607.20172	33.5
607.27423	1.5
608.20483	6.8
628.47223	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37510	0.3
57.03315	0.8
58.00457	0.4
59.01250	6.8
61.98702	1.4
69.54890	1.6
71.01251	6.9
72.99189	0.7
73.02813	0.8
75.00728	0.3
75.39619	0.3
83.01247	0.6
85.02819	5.8
87.00750	0.8
87.52090	0.3
88.98672	0.5
89.02325	2.7
90.09499	0.3
92.88043	0.3
93.03310	0.3
95.01254	2.6
96.95881	0.3
98.19766	0.3
99.00759	0.7
101.02304	1.9
105.01795	0.4
105.03352	0.7
107.04943	0.3
109.02790	0.3
111.00762	1.5
113.02329	10.4
114.02673	0.6
117.03390	1.4
119.03394	1.1
119.04906	2.3
123.04414	0.7
132.02049	1.8
133.02844	31.7
134.03247	1.3
135.04420	4.6
136.04752	0.4
137.02322	0.8
143.03377	0.4
145.02882	0.9
159.43204	0.3
161.02347	100.0
162.02686	5.1
163.03932	0.8
167.03432	0.3
167.58955	0.3
175.03929	0.5
178.02702	0.3
179.03409	2.5
179.04855	0.4
181.83058	0.3
195.06561	0.3
229.14854	0.3
285.03992	0.8
299.05508	0.5
381.09723	0.3
413.12308	1.0
445.17242	1.7
447.85797	0.3
477.19577	0.5
490.49530	0.4
607.20264	39.3
608.20654	8.0
633.70441	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22786	0.1
55.01762	0.2
57.03321	0.4
58.00468	0.3
59.01251	5.6
61.98693	0.5
68.11592	0.1
71.01251	5.4
72.99171	0.7
73.02826	0.6
77.03840	0.2
83.01245	0.7
85.02824	3.9
87.00748	0.8
89.02319	3.1
93.03323	0.9
95.01267	1.4
95.04928	0.2
96.95875	0.1
99.00763	0.5
101.02324	2.1
103.03893	0.2
105.01808	0.4
105.03336	0.4
107.04902	0.1
109.02811	0.2
111.00755	0.6
113.02335	7.1
114.02687	0.3
115.01783	0.2
117.03365	1.6
118.97973	0.2
119.03402	1.0
119.04910	2.3
123.04414	0.3
125.02368	0.2
132.02068	1.8
133.02847	30.4
134.03101	1.3
135.04414	4.5
136.04727	0.2
137.02315	1.7
137.05977	0.5
139.00218	0.2
143.03419	0.2
145.02844	1.9
160.01619	0.2
161.02348	100.0
162.02690	5.3
163.03912	0.4
168.74820	0.2
175.03941	0.2
179.03442	1.5
179.05055	0.2
195.06555	0.1
285.04025	0.5
299.05582	0.3
299.11307	0.3
310.97211	0.1
345.15613	0.5
377.78925	0.1
445.17175	2.2
446.17551	0.2
461.15033	0.2
607.20288	38.0
608.20630	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	607.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83699	0.3
52.53397	0.3
53.73690	0.3
57.03335	0.8
57.84604	0.3
58.00484	0.5
59.01248	9.4
61.98705	2.7
71.01254	10.2
71.51883	0.5
72.99197	1.2
73.02825	1.2
77.03889	0.4
78.83666	0.3
78.95767	3.0
81.03340	0.5
83.01254	1.0
85.02820	7.1
87.00764	1.2
89.02319	3.6
89.03833	1.6
93.03333	4.1
95.01263	2.7
95.04925	0.8
97.02850	0.4
99.00784	0.7
101.02324	2.8
105.03352	4.2
107.04916	1.4
108.02061	0.6
109.02853	1.1
111.00763	0.4
113.02323	13.8
114.02676	0.9
117.03340	0.6
119.03393	1.1
119.04935	1.0
121.02836	4.7
123.04406	14.4
124.04722	0.6
125.02364	0.9
132.02052	1.3
133.02852	18.2
134.03590	1.3
135.04431	3.2
136.04747	0.4
137.02351	1.3
139.03908	5.6
140.04234	0.5
143.03423	0.7
145.02849	2.3
147.00787	0.8
148.01549	1.5
149.02354	14.6
150.02707	1.2
151.03920	2.2
152.99478	1.7
160.01556	2.2
161.02347	20.5
161.04333	2.4
162.02721	1.1
163.03955	0.7
165.01782	0.5
168.37112	0.4
175.03952	2.3
176.01091	2.8
177.01848	100.0
178.02191	5.8
179.03378	3.3
193.04968	1.1
195.02921	5.5
198.37592	0.4
209.04379	0.3
209.11824	1.4
225.11349	0.5
235.06154	0.4
285.03915	0.9
315.06012	0.4
363.12305	0.6
379.11496	0.5
427.22394	0.4
429.17426	1.3
563.46967	0.3
591.20538	0.5
596.19257	0.4
607.20001	19.5
607.28833	3.6
608.20190	4.2
608.28827	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2427
Annotation	Tiliasine
Peak:m/z	Relative Intensity
57.03316	1.1
59.01251	3.8
61.98700	18.0
63.96101	1.7
67.01714	0.5
69.03326	1.0
71.00893	0.8
71.01255	10.0
71.51656	0.6
72.99174	1.1
73.02816	2.4
73.20228	0.5
77.87052	0.5
78.95764	4.3
78.98466	6.1
79.95608	13.7
80.96392	64.6
81.03321	1.1
83.01259	0.5
85.02822	4.2
87.00756	2.8
89.02308	1.8
94.35231	0.6
94.97969	14.7
96.95872	1.0
97.02820	1.9
99.00739	1.3
101.02323	4.3
106.97997	3.0
106.98596	0.5
111.08088	0.5
113.02290	1.8
120.99548	7.5
121.02784	0.6
122.97467	5.7
124.93613	0.5
125.02326	3.2
127.03883	1.2
134.97495	4.1
136.99002	1.4
145.02875	1.1
146.97493	0.6
148.99051	4.0
152.98489	5.3
152.99521	2.5
161.02321	0.9
163.03859	0.5
164.98541	11.3
165.12689	0.8
171.09958	0.5
182.99593	2.7
183.13786	1.1
206.99620	2.8
209.11757	3.3
211.13405	1.0
219.13792	1.4
225.00700	16.4
226.00833	0.6
227.12877	3.2
241.01024	0.7
243.01701	1.4
253.09348	0.5
285.03836	0.6
291.19568	2.5
299.04364	2.2
311.22192	1.1
315.04678	0.7
371.22107	1.6
374.68094	0.5
380.96753	0.6
387.72229	0.5
389.23129	1.3
397.13162	1.1
607.24207	100.0
608.24518	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	607.243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79281	0.5
59.01254	3.3
61.98702	67.3
62.98386	0.5
63.96095	1.1
69.03321	1.1
70.08581	1.9
71.01252	9.1
71.63887	0.5
73.02820	1.6
75.00746	0.6
78.95776	2.8
78.98471	5.5
79.95608	16.4
80.96390	70.4
81.03338	0.9
85.02813	3.9
87.00735	4.0
89.02335	1.0
90.41814	0.5
90.98466	8.7
94.04668	0.4
94.97964	15.5
95.01252	0.6
96.95889	1.5
97.02831	1.4
99.00762	1.0
101.02316	3.7
106.97960	3.3
113.02309	1.1
122.97485	4.2
125.02354	2.8
125.09595	0.6
127.03896	0.8
134.97464	5.2
136.99034	1.3
148.99054	5.9
152.01091	0.6
152.98514	6.0
152.99529	1.1
161.02357	0.5
163.11246	0.5
164.98540	12.0
165.12724	0.5
176.98552	0.6
179.03471	0.5
183.13806	0.6
186.59277	0.5
192.34846	0.5
206.99542	3.2
209.11743	2.0
211.13133	0.9
225.00703	14.7
225.11208	0.6
227.12827	1.3
268.61942	0.5
279.66403	0.6
285.04019	0.8
291.19571	1.2
299.04422	3.2
371.06586	0.6
565.59021	0.5
579.96930	0.5
607.24286	100.0
608.24530	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	607.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51105	6.1
75.00812	4.3
80.37222	4.3
114.02619	4.6
119.23890	4.0
201.12756	4.5
386.59845	5.1
431.22202	12.7
432.22812	5.4
444.23236	6.5
445.23752	10.4
447.25403	8.6
459.25931	7.4
460.23227	23.8
461.23322	6.3
472.22623	34.7
474.20331	22.8
475.21045	26.4
475.25558	17.0
487.24924	83.4
488.25381	15.1
502.20068	25.2
503.20297	5.1
504.25766	6.4
513.22583	7.9
519.27332	19.9
531.24036	100.0
532.24176	20.5
534.22662	19.2
535.22882	7.0
545.25262	5.3
547.22742	6.1
548.24084	13.7
563.26581	15.6
564.27026	4.9
607.25708	44.2
608.25763	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	607.2566
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.06484	7.9
60.80590	8.2
62.31874	8.5
69.74821	8.2
69.80166	36.2
75.92805	7.8
98.19888	10.4
137.82936	7.2
154.15311	9.9
157.43091	10.1
203.66719	9.8
256.97501	8.9
460.22739	23.9
471.21576	21.9
472.22458	29.3
475.25186	17.8
487.25003	89.6
488.25311	18.4
502.20105	30.0
514.23724	8.5
519.27283	14.2
531.23938	100.0
532.24719	18.4
546.75348	8.3
563.26648	24.8
607.25098	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	607.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11878	1.0
57.03319	2.5
58.00465	3.8
59.01254	61.7
61.98701	14.1
71.01253	42.0
71.52936	1.7
72.99172	5.8
73.02819	3.7
75.00732	1.2
83.01265	3.8
85.02828	11.2
87.00746	3.4
89.02319	30.7
95.01264	4.0
96.95895	1.5
99.00745	2.3
101.01702	1.9
101.02328	23.5
113.01640	1.3
113.02345	14.6
117.79538	1.1
119.03409	10.4
119.05003	2.4
123.04394	1.3
127.86008	1.1
131.03423	1.6
132.02014	1.2
133.02876	5.0
135.04408	2.4
137.02383	2.2
143.03288	1.3
145.02846	3.5
160.01601	1.6
161.02373	8.6
161.04433	1.5
175.03944	2.2
177.01826	1.1
179.03419	2.1
179.05522	2.8
217.07945	1.3
285.04117	1.8
291.17691	1.0
301.07257	2.1
385.16626	1.3
427.23358	100.0
428.23788	12.1
499.57175	1.0
607.20654	3.5
607.29657	38.2
608.30054	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	608.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62181	0.2
59.01242	0.7
61.98703	100.0
62.98386	0.2
63.09559	0.2
71.01256	0.5
78.95786	0.7
79.95609	0.2
80.96380	0.9
85.02820	0.2
87.00780	0.2
93.03352	0.3
94.98006	0.3
100.95345	0.1
101.02367	0.3
133.02824	0.2
137.02333	1.0
139.37810	0.2
148.61095	0.2
152.99568	0.5
164.98767	0.2
241.01202	0.3
552.27179	0.2
608.24255	0.9
609.26471	1.0
610.18182	0.2
636.28253	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.2
59.01249	1.0
61.98703	100.0
63.96093	0.4
71.01254	2.5
72.99193	0.2
73.02818	0.3
78.95770	0.9
78.98467	1.4
79.17762	0.2
79.95609	2.4
80.96391	17.9
81.86320	0.2
85.02819	0.9
85.61392	0.2
87.00750	0.9
89.02325	0.4
94.97963	4.1
94.98569	0.3
95.01263	0.2
96.95883	0.3
97.02847	0.6
99.00761	0.3
101.02328	0.9
106.97984	0.6
111.08054	0.2
113.02296	0.2
122.97475	0.8
125.02339	0.6
126.35865	0.2
127.03954	0.2
133.02864	0.2
134.97472	1.3
136.99060	0.5
137.02365	0.8
148.99066	1.4
152.98509	1.3
152.99596	0.3
161.02423	0.3
161.04453	0.2
164.98521	3.1
179.03401	0.2
197.11684	0.3
206.99641	0.8
209.11768	0.3
220.60379	0.2
225.00699	4.1
229.70627	0.2
299.04453	0.8
334.92255	0.2
608.24933	0.8
609.25842	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.146
Annotation	Rutine
Peak:m/z	Relative Intensity
59.01250	1.4
63.02264	0.8
65.00196	1.9
69.24443	0.6
69.24847	2.0
71.01266	1.2
72.99193	0.3
83.01260	0.9
85.02816	0.4
88.40987	0.2
88.98700	0.4
89.02309	0.5
91.01765	0.3
93.03365	0.4
96.95868	0.4
99.00744	0.5
101.02307	0.3
103.38657	0.2
107.01290	3.4
108.02064	1.6
109.02837	1.8
110.23057	0.2
113.02330	0.8
119.03407	0.3
121.02850	2.1
125.02374	0.4
125.67551	0.2
129.01785	0.3
133.02890	0.3
135.00771	1.1
137.02324	0.5
139.03906	0.7
145.02853	0.3
148.01579	1.7
149.02399	0.6
151.00279	12.9
152.00949	1.0
153.01909	0.3
163.00276	2.9
164.00969	0.7
167.03441	1.4
167.04672	0.3
169.01347	0.8
171.04369	0.4
175.03868	0.3
178.99783	7.4
180.00249	0.3
183.04411	0.4
187.03983	0.5
192.00473	0.6
199.03896	0.9
200.04449	0.3
201.05527	0.5
203.03526	0.3
211.03952	1.2
215.03439	0.9
216.04166	0.8
223.23299	0.2
226.02626	1.7
227.03458	3.1
228.03990	0.4
229.05002	0.7
231.02910	0.3
232.03610	0.3
243.02974	11.3
244.03453	1.0
245.04504	1.1
254.02266	2.0
255.02969	26.8
256.03354	2.5
257.04459	0.3
271.02478	58.7
272.02927	5.7
273.03979	1.1
283.02435	1.6
285.04010	0.7
297.04221	0.4
299.01941	2.0
299.05060	0.3
300.02737	94.4
301.03452	41.7
302.03879	3.2
343.04443	1.0
423.90613	0.3
586.22937	0.3
609.14587	100.0
610.14917	17.3
637.60773	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1827
Annotation	Mesuein
Peak:m/z	Relative Intensity
57.03329	0.9
59.01250	7.9
61.98703	44.0
63.02272	2.6
65.00194	13.9
71.01247	5.0
72.99200	1.0
73.02823	1.3
75.00751	1.0
78.95789	0.6
83.01256	7.5
85.02822	2.8
87.00797	1.4
89.02316	2.1
95.01268	1.6
99.00752	1.1
101.02318	3.1
105.01828	1.5
107.01276	23.0
108.02066	5.6
111.00778	0.7
113.02311	3.2
119.03377	0.9
119.04948	1.1
121.02854	1.7
123.00765	1.2
123.04391	2.3
124.01563	0.9
125.02338	6.2
133.02838	1.9
134.03636	26.9
135.04477	3.5
135.05341	0.7
136.01546	3.4
137.02286	1.2
145.02846	1.6
149.02306	1.6
149.05981	19.1
150.06329	1.4
151.00276	100.0
152.00635	3.5
158.03696	1.1
160.01591	1.7
160.02844	0.7
161.02371	5.8
162.02837	1.0
164.01077	7.2
165.01831	4.9
169.01343	2.6
174.03123	2.0
175.00279	1.8
175.03906	5.2
177.01866	7.0
179.03407	1.7
191.07056	1.1
193.01328	2.9
193.02962	0.8
196.00092	4.5
199.03923	2.0
200.04617	0.9
201.01892	3.0
202.02670	1.0
213.05544	0.8
214.06226	0.9
215.03554	1.0
217.04854	1.0
235.02431	2.6
239.03461	0.9
241.05090	1.2
242.05905	1.9
257.08276	3.7
258.05225	0.8
285.04037	2.0
286.04730	2.3
299.05463	1.0
300.02878	1.8
301.07172	83.1
302.07452	6.7
325.07199	0.8
343.08218	5.7
403.10229	0.9
447.26227	1.4
459.11450	13.8
460.11703	1.4
489.14056	3.4
549.29486	1.4
567.29919	1.3
609.18243	97.6
610.18634	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	609.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.5
59.01240	1.7
61.98701	30.1
63.96111	1.0
63.99107	0.6
66.46535	0.5
69.03313	1.2
71.01256	8.2
72.86613	0.5
72.99147	0.6
73.02827	1.8
78.25770	0.4
78.95752	1.4
78.98454	6.2
79.95604	11.7
80.96390	66.9
83.01267	0.6
85.02814	2.7
87.00752	2.5
94.97962	14.1
96.95889	1.4
97.02820	2.0
98.20550	1.2
101.02304	2.5
106.97984	2.6
107.86305	0.5
116.96663	0.5
122.97463	3.2
125.02316	2.7
127.03893	1.1
134.97481	4.3
136.99002	1.5
137.02332	1.1
148.99040	6.5
152.98534	5.7
164.98537	12.6
167.00075	0.8
197.11720	1.7
202.53786	0.5
206.99652	2.7
209.11818	0.5
211.13431	0.5
225.00693	15.2
226.00931	0.6
299.04556	2.5
299.07477	0.4
373.19867	0.5
461.98215	0.6
609.25806	100.0
610.26123	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	609.2681
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
50.67685	0.6
59.01236	2.2
61.98690	2.1
68.58172	0.6
78.95775	69.1
80.96400	1.0
82.95956	1.5
96.96836	12.5
111.95728	0.7
113.84277	0.6
125.09592	0.7
150.98007	1.0
152.99489	73.3
153.10510	0.6
153.99797	0.8
169.39015	0.6
171.00551	1.7
179.14244	0.9
181.44400	0.6
195.13817	9.2
196.14577	0.8
208.49759	0.6
211.13277	1.0
223.00121	8.0
223.13405	5.7
235.57689	0.7
241.01146	25.4
242.01828	0.8
256.03226	0.7
256.13107	1.3
259.02216	2.1
275.20145	4.9
293.21216	40.3
294.21585	4.3
315.04858	11.5
333.05905	0.9
465.39679	0.6
609.26758	100.0
610.27087	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.1
61.98706	14.0
71.01263	2.8
71.51170	0.9
72.99193	0.7
78.95777	61.5
80.96396	1.6
82.95992	0.9
85.42458	0.5
88.98685	1.0
89.02328	0.7
93.03370	0.5
96.95888	1.2
96.96840	11.3
101.02330	1.2
111.08051	0.6
113.02333	1.3
120.99520	0.9
122.99229	0.7
135.04430	0.6
137.02330	2.3
152.99496	72.5
153.99814	1.2
158.23111	0.6
167.10652	0.6
170.43568	0.5
171.00545	2.0
177.30437	0.5
183.13805	0.8
195.13850	8.3
196.14331	1.6
205.12234	1.0
211.13342	1.7
223.00117	6.2
223.13322	5.6
228.13643	1.0
241.01152	24.8
242.01620	0.8
251.54465	0.7
259.02246	1.9
275.20065	3.8
293.21237	38.8
294.21548	4.0
315.04892	11.4
327.01465	0.6
333.05908	1.4
467.16443	0.5
492.26208	0.7
609.26697	100.0
610.27100	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	609.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.1
57.03321	1.1
58.00470	1.0
59.01251	25.7
61.98705	8.0
71.01257	19.1
72.01567	0.7
72.52791	0.5
72.99186	2.0
73.02820	3.0
75.00744	0.5
78.12075	0.4
78.95768	1.1
79.95621	0.7
80.96404	2.0
83.01263	3.0
85.02823	7.9
87.00770	2.0
89.02313	9.5
89.02833	0.6
89.58226	0.4
95.01266	1.3
98.20638	1.0
99.00745	2.2
101.02328	12.2
102.00534	0.4
109.02871	0.4
111.00790	0.6
113.02339	6.1
117.03335	2.5
119.03386	3.1
119.04916	1.3
134.03650	1.2
137.02434	0.7
145.02858	6.2
149.04393	0.6
159.02936	0.4
160.01587	1.8
161.02419	0.6
161.04475	1.3
163.03993	1.3
171.10060	0.4
175.03934	2.2
193.05058	1.7
209.11810	0.6
225.00827	0.5
267.19714	0.8
285.20624	2.3
306.35239	0.5
364.09821	0.6
429.25009	4.7
447.26016	18.2
448.26428	2.0
501.27005	0.6
516.64941	0.6
549.26416	0.6
591.30084	1.3
609.31464	100.0
610.31885	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	609.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06518	0.5
51.34489	0.5
55.01746	1.3
57.03306	1.5
58.00450	1.5
59.01248	32.1
61.18618	0.6
61.98690	1.3
69.64554	0.5
71.01252	23.1
71.28065	0.9
72.01592	0.5
72.99170	1.4
73.02819	3.7
80.96387	1.0
83.01246	3.1
85.02817	8.0
85.51917	0.5
85.99924	0.8
87.00746	1.8
89.02319	12.6
95.01247	1.6
99.00763	1.2
101.02321	17.9
111.00754	1.0
113.02320	7.9
119.03392	3.2
120.50437	0.5
141.01865	0.5
161.04478	1.0
163.24197	0.6
172.21095	0.6
179.05519	0.9
190.72462	0.5
221.06560	0.9
223.62599	0.5
285.20813	3.0
286.20773	0.7
429.24777	4.7
447.25977	28.1
448.26233	3.1
505.10263	0.5
591.29602	0.7
609.31244	100.0
610.31598	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	609.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68406	0.7
52.04426	0.8
53.81530	0.9
59.01235	1.2
61.98698	1.4
66.83475	0.7
69.65337	4.7
78.63680	0.9
78.95766	1.3
85.02832	0.8
95.04903	30.7
95.05525	1.8
96.05235	1.2
97.06474	1.0
111.08061	0.8
116.05486	0.9
124.38858	0.8
167.10670	0.8
169.18459	0.7
171.10136	1.6
179.14464	1.3
189.05266	1.7
195.13860	8.7
196.14227	1.1
205.12134	1.3
211.13341	1.5
219.97865	0.9
223.13350	17.8
246.12311	13.8
247.12799	1.0
275.20160	4.0
278.11343	66.0
279.11676	5.4
293.21222	100.0
294.21585	8.0
315.19415	25.0
316.19766	2.4
329.23291	2.7
471.26071	1.0
536.51740	0.9
572.32410	2.1
609.41595	10.1
610.41736	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	611.1619
Annotation	Fustin 3,7-diglucoside
Peak:m/z	Relative Intensity
50.36475	3.5
59.01252	16.5
61.92010	3.4
61.98703	7.4
71.01265	16.2
72.99151	4.0
73.02824	4.1
85.02804	3.9
88.04591	2.9
89.02304	9.9
93.03344	40.5
93.37235	3.3
96.95866	5.8
101.02313	6.5
108.02037	13.9
109.02841	10.1
113.02341	8.4
121.02798	8.2
123.04406	9.9
133.02840	3.5
135.31529	4.2
137.02341	53.1
138.02632	3.9
151.03903	5.8
152.01065	26.4
153.01874	21.8
153.02901	4.0
167.03453	41.9
179.03444	3.8
179.05511	3.8
209.04530	6.6
223.06134	5.2
281.06601	9.2
297.06192	7.8
311.07733	11.6
449.10736	100.0
450.11423	6.4
611.16211	18.1
611.29065	9.2
612.16498	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	611.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70671	2.2
58.00465	4.1
59.01251	74.6
69.32542	18.4
71.01256	43.0
72.99187	5.9
74.71478	2.1
80.08349	2.2
83.01249	3.4
85.02816	10.6
89.02299	25.1
92.46575	2.6
95.01257	4.6
99.04397	33.8
101.02317	20.6
113.02309	12.1
119.03393	9.7
189.12715	6.5
207.13832	47.1
208.14262	3.6
233.11552	2.9
251.12860	100.0
252.13184	8.6
271.02356	3.4
272.02737	2.8
301.03043	5.6
302.03314	4.2
328.56076	2.4
356.44653	2.3
431.19168	99.2
432.19376	9.9
461.66043	2.5
486.45074	2.9
611.15155	10.2
611.25403	94.2
612.25775	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	611.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39475	0.7
59.01246	4.1
61.98690	2.1
71.01239	1.4
74.24672	0.7
76.78976	0.7
78.95777	49.6
80.91555	2.5
88.78441	0.7
89.02277	0.9
93.76102	0.8
96.96841	9.8
101.02326	1.1
110.16889	0.7
113.09566	1.2
134.06027	1.0
142.98956	0.7
152.99492	59.4
153.99870	0.8
161.02365	0.8
171.00558	2.3
171.57452	0.7
177.12871	0.9
179.14377	1.6
187.86243	0.7
189.62047	0.7
195.13846	16.5
196.14108	1.1
197.11734	0.8
209.11748	1.3
213.14886	5.4
223.00111	6.8
241.01152	21.3
241.03580	1.3
253.09177	1.0
259.02365	1.5
277.21701	13.5
293.21191	4.1
295.22778	49.0
296.23230	3.9
300.77811	0.8
314.04367	0.7
315.04877	8.2
329.06802	1.0
333.05927	0.9
351.89163	0.7
375.21756	1.0
449.23380	0.8
611.28345	100.0
612.28729	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	611.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44067	7.1
55.98358	7.0
57.03318	9.2
59.01258	100.0
61.98700	53.9
71.01258	78.9
72.99180	10.2
83.01244	9.4
85.02833	17.9
89.02301	65.0
93.03337	7.0
101.02322	25.5
113.02311	30.4
119.03374	25.4
123.00820	8.1
125.02374	28.7
137.02350	15.2
149.02333	8.6
151.00307	12.2
153.01807	14.2
155.36110	7.0
161.02359	10.2
161.04488	14.2
178.10182	6.8
179.05505	9.8
401.12543	14.7
431.13541	11.4
444.72928	7.5
449.14618	23.7
487.10175	9.1
551.27008	57.9
552.27728	13.9
583.16864	10.3
611.15790	14.4
611.25604	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	611.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88355	0.4
55.01752	2.3
57.03327	2.3
58.00479	1.9
59.01254	43.0
60.01579	0.4
61.98701	4.2
71.01253	35.4
71.52045	0.4
72.01601	0.6
72.99186	3.9
73.02813	7.4
75.00757	0.6
77.55992	0.4
78.95782	0.5
79.95617	0.5
83.01262	5.9
85.02824	14.7
85.99965	1.5
86.03184	0.4
87.00734	1.9
89.02318	17.2
93.21176	0.4
95.01273	2.6
97.02856	1.2
99.00771	3.3
101.02325	27.2
102.02673	0.7
103.00187	0.4
109.02847	0.6
111.00762	1.1
113.02326	12.0
115.35882	0.5
117.03377	0.5
119.03389	6.7
119.04878	1.0
121.02898	0.4
123.04432	0.4
125.02297	0.9
131.03409	0.6
133.02879	1.8
135.04387	1.2
135.08121	0.6
137.02367	1.1
139.00301	0.6
143.03433	1.0
145.02892	2.1
149.04536	0.5
159.02898	0.5
161.02353	7.7
161.04504	1.5
162.02757	0.5
163.03925	0.8
165.01826	0.9
171.10179	0.4
174.01706	0.5
179.03380	1.1
179.05547	0.8
195.06541	0.9
223.20563	0.5
225.07603	0.5
269.21133	0.6
287.22406	0.4
355.11591	0.5
375.21762	0.9
387.27600	0.6
413.25681	0.5
431.26480	100.0
432.26761	12.9
439.26324	0.5
441.33356	0.4
449.08832	0.6
449.27325	4.1
450.27667	0.5
487.34454	0.5
500.32440	0.4
551.30768	0.7
611.32782	69.6
612.15656	0.7
612.23883	0.8
612.33209	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	611.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.6
57.03337	1.0
58.00461	0.9
59.01252	12.2
60.99185	0.5
61.98701	10.0
64.02081	0.5
69.44249	3.2
71.01254	12.8
72.99176	2.1
73.02818	3.5
75.00719	0.5
82.06284	0.4
83.01270	2.3
85.02820	5.9
87.00748	2.0
88.98676	3.5
89.02322	3.5
95.01239	2.2
97.02812	0.7
99.00735	1.3
101.02327	7.3
108.42587	0.5
111.00764	1.4
112.01527	0.5
113.02326	5.0
117.03394	1.1
119.03383	1.1
119.04932	0.7
123.04390	0.5
124.01587	0.9
125.02319	1.4
133.02870	1.9
135.04417	1.7
137.02325	1.3
143.03392	0.8
145.02875	2.2
147.04379	0.7
151.00305	0.7
151.03917	0.6
152.01018	0.7
160.01660	0.5
161.02370	4.2
161.04480	0.8
163.03902	1.6
165.05534	0.5
178.02773	0.5
179.03413	2.0
213.15042	0.5
219.94629	0.4
245.70938	0.4
269.21234	2.3
287.22272	13.1
288.22516	0.5
346.69775	0.5
356.12296	0.5
431.26498	5.3
432.26904	0.8
449.27524	22.2
450.27975	3.2
491.28500	0.7
507.35040	0.5
538.13690	0.5
546.75067	0.5
549.23541	1.1
593.31781	1.9
594.32440	0.6
611.32831	100.0
612.33301	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	611.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.7
57.03312	1.5
58.00472	0.6
59.01249	19.3
61.98702	37.1
64.50924	0.5
69.31045	1.3
69.31460	1.9
71.01255	20.6
72.99176	1.8
73.02812	3.1
83.01256	3.3
85.02822	7.4
85.99971	0.5
87.00736	2.2
89.02323	5.3
95.01268	1.5
97.02820	1.2
97.17780	0.4
98.19807	0.9
99.00753	1.4
99.07997	0.4
101.02322	8.4
111.00756	0.6
112.01537	0.5
113.02331	6.3
119.03384	1.6
119.04877	0.5
124.01537	0.7
125.02339	1.0
130.11475	0.4
133.02817	0.7
134.03648	0.4
135.04451	0.7
137.02356	0.8
141.12762	0.7
143.03394	0.7
145.02846	1.2
161.02345	1.2
161.04507	0.8
161.95180	0.5
163.03984	0.5
179.03400	0.6
227.39867	0.4
269.21225	3.5
287.22278	27.7
288.22617	1.8
345.74182	0.6
357.01624	0.4
431.26495	6.9
432.26648	0.7
449.27557	28.6
450.27991	3.0
477.48212	0.5
593.31964	0.9
594.63831	0.5
611.32806	100.0
612.33148	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	611.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39352	0.3
53.10918	0.3
55.01759	1.5
57.03322	1.0
58.00459	0.9
59.01251	22.5
60.01590	0.3
61.98701	1.4
71.01253	16.9
72.01600	0.3
72.99168	1.2
73.02826	2.6
83.01262	2.4
85.02822	5.5
85.99951	0.6
87.00756	1.0
89.02316	8.3
93.03330	0.3
95.01278	1.3
99.00751	1.2
101.02321	13.3
102.02648	0.4
111.00751	0.8
113.02329	6.4
114.02597	0.3
119.02573	0.3
119.03392	3.4
135.08041	0.6
137.02380	0.4
139.03906	2.6
143.03371	0.5
145.02837	0.6
161.04430	0.6
179.05502	0.4
183.10188	0.4
241.21713	0.9
269.21207	0.3
271.22711	0.4
287.22211	2.1
332.24103	0.3
403.27368	0.3
431.26535	3.4
432.26575	0.3
433.27859	0.6
449.27545	22.1
450.27911	3.4
464.18774	0.3
503.28461	0.5
593.31860	0.5
611.32800	100.0
612.33154	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	611.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.5
56.34962	0.3
57.03321	1.2
58.00452	0.7
58.23680	0.3
59.01250	12.2
61.02910	0.3
61.98704	2.5
66.91322	0.3
69.03308	0.4
71.01256	13.8
72.99187	1.1
73.02816	3.6
78.95799	0.4
80.96383	0.8
83.01249	2.9
85.02826	6.5
85.99962	0.9
87.00751	1.7
89.02332	2.8
93.03342	1.0
95.01267	1.2
99.00757	1.6
101.02324	10.5
107.61356	0.3
111.00761	0.8
111.37399	0.3
113.02333	5.3
116.92751	1.0
117.03374	0.5
119.03403	1.0
125.02330	0.9
131.03357	0.4
133.02827	0.4
134.03615	0.3
135.04401	0.6
135.08028	0.5
137.02336	2.1
145.02861	2.5
148.01657	0.3
159.02879	0.6
161.02373	0.9
161.04486	1.5
163.03905	0.5
211.20699	0.6
239.20233	0.5
241.21796	1.9
269.21201	0.3
287.22290	4.1
403.26672	0.4
431.26535	2.2
449.27548	16.9
450.27866	2.5
593.32080	0.7
611.32904	100.0
612.33240	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	2.5
57.03322	2.7
58.00454	1.6
59.01251	35.3
61.98698	9.4
62.44905	0.5
69.03311	0.7
69.50585	4.4
71.01254	35.1
72.99175	4.8
73.02819	8.7
75.00736	1.9
83.01264	5.9
85.02825	17.2
87.00733	2.9
88.98658	1.2
89.02322	16.6
91.56458	0.5
93.03315	0.9
95.01257	2.3
97.02810	0.9
99.00747	3.6
101.02323	27.2
102.02631	0.8
105.01817	2.6
111.00749	2.6
113.02338	11.5
119.03400	7.3
121.02802	1.1
122.43875	0.6
125.02322	1.3
131.03398	1.0
133.02838	1.0
135.04359	1.5
136.01576	0.7
137.02330	1.0
139.00287	0.6
143.03375	1.9
145.02843	0.8
151.03917	1.4
159.02910	1.2
160.03946	1.3
161.02312	1.3
161.04456	4.5
163.03896	0.6
167.03400	0.9
169.12276	0.7
177.01991	0.5
179.03419	1.4
179.05478	1.9
195.02849	0.7
218.83054	0.6
219.74185	0.6
233.15321	0.7
248.66530	0.5
250.94144	0.5
257.95926	0.7
287.22430	0.7
415.15842	1.4
431.26355	1.6
449.27557	21.8
450.27957	2.7
611.32837	100.0
612.24011	1.3
612.33270	15.8
625.35931	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	14.5
61.98709	15.4
63.75568	1.0
69.03344	1.1
69.82589	0.8
71.01250	12.4
71.52657	1.4
72.99176	1.7
73.02808	2.9
81.03307	1.1
83.01236	1.9
85.02820	7.7
87.00758	1.2
88.98668	2.9
89.02293	4.9
93.03343	3.0
95.01260	3.8
95.04900	1.2
96.95901	6.2
96.96410	1.0
97.02837	1.8
99.00742	3.4
101.02329	5.9
101.02898	1.0
108.02055	50.6
109.02871	19.9
113.02359	6.8
119.03391	1.3
119.04879	2.0
121.02825	2.8
122.03609	3.2
123.00750	1.9
123.04395	3.4
126.06953	0.9
133.02847	5.1
134.03619	1.6
135.04436	6.8
137.02338	6.3
139.03873	1.9
143.03404	1.1
145.02818	3.8
149.02328	5.7
150.03133	16.7
151.00258	2.9
151.03844	4.1
152.01060	72.3
153.01840	4.4
161.02354	12.4
161.04471	3.1
162.02966	0.9
163.03902	4.0
164.04619	1.3
165.05475	16.1
165.09062	1.3
166.02576	3.7
166.05713	1.4
175.03860	2.3
179.03473	5.7
180.04082	1.1
181.04976	3.0
183.10173	7.6
187.03873	1.5
188.97000	0.9
195.06557	8.9
205.05011	1.1
209.11736	1.1
288.22644	0.9
354.70560	1.0
361.11493	1.0
387.14450	2.5
390.09253	1.1
399.14413	1.1
417.15485	5.1
465.06430	1.0
538.37836	1.0
553.21991	0.9
557.21844	1.1
565.20874	8.4
566.21246	1.3
577.28186	1.2
613.21277	100.0
614.21686	18.3
614.30902	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	613.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	3.6
59.01251	26.5
61.98703	74.2
62.98382	2.2
65.02712	1.6
69.03310	2.6
69.08554	1.6
71.01253	63.9
71.51838	2.2
71.52205	1.9
72.99161	3.9
73.02818	13.9
75.00704	2.4
78.95778	3.1
81.03345	2.0
83.01246	7.5
85.02818	25.9
87.00732	4.4
88.98659	5.1
89.02309	16.4
93.03328	4.8
95.01246	6.2
96.95905	2.6
97.02835	2.2
99.00755	11.4
101.02322	31.1
108.02052	54.0
109.02850	19.2
113.02325	25.1
116.01317	2.0
117.03321	3.5
119.03342	1.9
119.04898	5.6
121.02869	9.9
121.03558	1.7
123.00764	2.2
123.04423	15.5
125.02290	4.2
125.33249	2.1
127.03812	2.0
129.01787	2.0
131.03355	3.1
133.02815	7.7
135.04420	3.6
137.02338	3.9
143.03384	2.7
145.02821	14.9
149.04457	2.0
151.03865	5.4
152.01059	70.7
153.01675	6.3
159.02873	4.4
161.02368	22.0
161.04439	19.0
162.02745	2.7
163.03894	10.0
165.01801	2.5
173.77086	1.6
177.01778	1.7
179.03342	2.6
183.10149	2.7
185.96976	1.8
188.59662	1.6
284.09338	1.7
289.16605	21.9
345.15598	11.9
363.44891	1.7
421.20773	46.0
422.20993	5.1
437.53235	1.6
446.17178	1.7
447.11456	2.2
553.16400	2.7
553.25000	62.1
554.25287	10.5
577.18695	5.0
613.21216	100.0
614.21503	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	617.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76899	0.1
57.03305	0.3
58.00470	0.1
59.01249	7.5
60.01584	0.2
61.98700	2.3
68.99706	0.2
69.03323	0.5
69.31452	1.1
71.01250	4.6
71.04896	0.4
72.99191	0.5
73.02828	1.2
75.00706	0.2
81.03325	0.3
82.02219	0.1
83.01239	0.6
83.04895	0.2
85.02821	2.0
85.03293	0.2
87.00764	0.4
89.02316	1.4
89.03883	0.2
92.31377	0.1
93.03339	0.5
95.01267	0.6
95.04906	0.2
96.95894	0.1
97.02837	0.4
99.00769	0.5
101.02319	1.9
103.03916	0.2
113.02333	3.6
114.02703	0.2
117.03350	26.2
118.03670	1.1
119.03419	0.4
119.04914	8.7
120.05211	0.2
121.02827	0.3
125.02354	0.8
127.03874	0.1
131.03412	0.1
133.02831	0.2
134.03612	0.2
135.04530	0.2
137.02390	0.1
139.03885	0.5
143.03377	0.3
143.04924	2.1
145.02855	100.0
146.03191	4.3
147.04399	0.1
149.04430	0.1
155.03352	0.6
161.04475	0.9
161.05986	0.6
163.03918	7.5
164.04262	0.3
171.10184	4.3
172.10490	0.1
177.05505	0.1
177.09177	0.3
179.03413	0.1
179.05553	0.1
179.07040	1.7
187.03938	1.6
203.05568	1.0
205.05003	1.2
209.11781	3.1
221.08180	1.4
223.06065	6.1
223.96889	0.1
224.06482	0.5
227.13010	0.6
253.09375	0.2
283.11792	0.2
291.08777	0.1
293.21246	0.1
384.84018	0.1
429.17761	0.6
471.18454	0.5
543.17499	0.2
575.21179	0.7
617.22388	10.4
617.31262	0.8
618.22723	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	617.3179
Annotation	Guangomide A
Peak:m/z	Relative Intensity
55.01750	1.7
55.56413	0.5
57.03305	1.4
58.00464	1.4
59.01249	25.8
61.98689	2.4
66.73337	0.4
69.03311	0.6
71.01254	29.2
71.31383	0.7
72.01558	0.7
72.99170	2.4
73.02818	6.8
75.00737	1.2
78.30190	0.6
78.30682	0.5
78.95770	1.2
81.95099	0.5
83.01256	3.2
83.04899	1.2
84.02035	0.7
85.02826	9.9
85.99972	0.7
87.00760	5.2
89.02313	14.5
89.02838	1.1
95.01261	2.0
95.04884	0.6
96.95867	0.7
97.02818	0.9
97.33890	0.6
99.00757	3.0
101.02320	17.9
102.02641	0.6
109.06427	0.7
111.00745	1.8
113.02327	12.6
119.03375	4.2
119.04828	0.7
125.02331	0.6
125.09597	0.9
127.11214	0.7
129.01834	1.1
131.03389	5.4
135.08020	1.9
136.08398	1.0
139.03876	0.8
143.03400	1.2
159.02859	3.2
161.02336	1.1
161.04451	8.0
163.11212	1.6
165.12762	1.0
171.10176	52.4
172.10535	3.4
179.03423	0.6
179.05522	2.3
195.13747	0.6
197.11667	0.6
197.52333	0.5
201.11209	0.9
209.11772	41.9
210.12123	3.0
221.06651	6.1
223.13313	1.5
227.12852	6.7
231.47887	0.6
235.08125	1.7
253.09280	4.5
263.07651	0.7
275.17419	0.5
275.20139	2.9
277.21747	0.8
283.13666	0.6
293.21207	11.1
294.21600	1.2
406.61459	0.5
407.18854	0.7
411.25922	0.6
455.26215	3.9
455.32205	1.0
546.14612	0.6
599.30499	1.1
617.31738	100.0
618.32013	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	617.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75027	1.0
54.19556	1.0
55.01756	1.7
57.03313	1.4
58.00463	1.9
59.01254	36.3
60.41429	0.9
61.98676	1.6
71.01257	26.8
71.62052	0.9
72.99157	1.9
73.02811	4.2
78.95786	1.6
80.02513	1.5
81.03310	1.1
83.01270	2.7
83.04898	4.0
85.02833	7.4
87.00771	1.3
89.02320	16.6
95.01219	2.3
98.19784	2.8
99.00773	1.6
101.02327	20.4
111.08060	1.1
113.01604	1.6
113.02320	11.8
113.76603	1.1
115.49677	1.1
119.03381	7.9
125.09637	1.7
127.11193	1.6
155.31154	1.1
161.04437	2.2
163.11191	3.0
165.12770	2.0
171.10185	100.0
172.10518	7.4
179.05486	2.4
186.28331	1.3
191.10710	1.7
209.11771	88.5
210.12149	5.7
223.13525	1.0
227.12837	10.6
228.13365	1.6
235.08231	3.7
253.09314	8.3
275.20154	5.6
277.21436	1.1
293.21201	22.4
294.21564	1.9
334.20084	1.1
339.23795	1.3
345.90576	1.0
437.25305	10.6
455.26501	86.4
456.26901	12.4
487.34702	1.1
497.15643	1.1
617.31818	3.6
618.31451	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60061	1.0
53.76048	1.1
69.85458	2.1
69.85764	6.0
78.95779	100.0
93.42134	1.2
96.96841	8.0
98.19902	1.3
109.06472	6.6
121.06493	1.1
143.85593	0.9
152.99492	61.1
163.11224	4.2
172.15382	1.1
181.12334	1.4
195.65071	1.0
207.10194	12.5
225.11301	10.9
241.37703	1.0
255.23288	74.1
256.23615	6.0
361.10498	9.8
388.37982	1.3
391.22583	23.3
392.22668	2.0
409.23602	12.0
617.34662	23.3
618.34845	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	617.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92035	0.2
61.98704	0.2
78.95788	0.3
89.03893	0.3
95.26947	0.2
97.36954	0.2
115.77637	0.2
117.03351	28.4
118.03651	1.0
119.04921	7.5
120.05241	0.5
121.02843	1.8
123.04420	0.6
133.02841	0.4
141.64001	0.2
145.02856	100.0
146.03197	4.6
161.09715	0.2
162.03123	1.0
163.03920	2.3
207.70316	0.2
213.70503	0.2
229.76276	0.3
388.72833	0.2
439.32040	0.3
453.33932	1.3
454.34125	0.5
475.00549	0.2
497.32684	1.5
498.32870	0.3
530.37469	0.2
571.38269	0.4
573.39307	0.7
594.87415	0.2
617.38470	100.0
618.38800	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	617.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37948	1.0
69.38354	1.3
70.58698	0.3
77.25889	0.3
98.20537	0.8
110.88087	0.3
117.03347	28.0
118.03693	1.4
119.04910	6.9
121.02047	0.3
121.02792	1.7
123.04370	0.4
133.02809	0.4
145.02853	100.0
146.03194	4.8
162.03197	0.6
163.03902	1.8
185.33380	0.3
363.07251	0.4
453.33551	1.1
497.32574	1.6
498.33212	0.5
504.30746	0.3
617.38440	88.1
618.38751	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	617.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
62.04073	0.2
62.13593	0.2
69.36987	1.8
78.17359	0.3
89.03851	0.4
101.80799	0.2
117.03349	27.4
118.03697	1.1
119.04926	7.7
120.05219	0.3
121.02859	1.6
123.04417	0.6
145.02856	100.0
146.03206	4.7
162.03200	0.4
163.03906	2.9
252.49364	0.3
364.65265	0.2
389.05780	0.3
453.33954	1.5
497.32748	1.4
573.39178	0.5
617.38464	95.7
618.38806	23.4
631.55145	0.3
632.88300	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35403	0.3
68.53610	0.3
69.41527	2.2
96.61308	0.3
117.03352	27.9
118.03654	0.9
119.04909	7.3
121.02842	1.4
123.04408	0.4
133.02873	0.5
145.02858	99.6
146.03178	4.2
162.03159	0.7
163.03989	1.6
163.05107	0.3
167.33481	0.3
230.94952	0.3
272.18918	0.3
306.84894	0.4
453.33762	1.1
497.32840	2.2
549.74542	0.3
617.38464	100.0
618.38794	23.7
618.53717	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2561
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.50755	0.8
53.29182	0.9
55.67404	1.0
69.09190	0.9
77.79378	1.0
78.95779	5.5
89.62131	1.0
96.96883	1.0
101.02245	0.9
113.36557	0.8
152.99484	4.0
209.11719	2.7
229.67990	1.0
255.23253	4.1
316.82339	1.0
391.22272	1.4
401.13943	1.6
412.82925	0.9
415.15808	2.5
416.16458	14.8
417.16684	2.1
429.17239	1.8
430.17746	2.1
431.18408	2.5
445.16476	1.9
458.17322	1.4
459.18256	100.0
460.18643	15.7
473.19815	15.1
474.20413	7.6
501.19449	1.9
503.17474	3.3
504.18045	1.7
517.18597	1.1
518.19592	44.6
519.19922	7.7
532.21143	8.6
533.21906	85.1
534.22223	15.6
576.22357	1.0
587.22980	6.9
588.23206	1.5
619.25647	70.1
619.35669	3.3
620.25952	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	619.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	10.6
60.99181	18.2
61.98717	9.7
66.26556	1.9
71.01254	7.2
71.52422	2.4
74.98981	2.3
78.95767	16.9
85.02832	2.7
87.00782	3.7
88.00266	6.8
88.98680	100.0
89.02322	43.4
89.99008	2.2
95.01251	1.9
96.95886	10.1
101.02341	2.6
102.98727	1.9
113.02292	3.4
118.97981	36.1
119.04935	2.9
130.96170	1.8
133.02783	2.6
142.06454	2.0
145.02846	4.3
149.02287	2.3
152.99490	8.4
161.02338	6.9
191.03461	2.2
209.11795	3.6
219.09157	1.7
223.13373	5.9
253.09315	2.2
257.29742	2.2
323.22241	5.8
423.47318	2.2
458.00385	2.3
487.34244	20.8
488.34995	3.3
587.26672	4.4
619.37866	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	619.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91245	0.9
59.01246	6.0
60.99179	16.2
61.98704	3.9
66.12855	0.8
71.01255	2.9
72.99192	1.4
78.95786	1.7
80.02143	0.8
83.14234	0.7
87.00757	2.1
88.00276	3.3
88.98682	100.0
89.02320	24.7
89.02842	1.7
89.98997	1.3
96.95892	0.8
98.19728	1.2
101.02324	1.1
113.02344	1.5
116.92776	1.0
118.97976	9.9
119.04887	1.2
135.04463	1.1
135.79924	0.7
145.02919	0.9
149.02362	1.5
161.02377	3.3
161.04430	1.1
171.10185	1.1
191.03520	1.0
197.11786	2.2
221.46478	1.1
233.36681	0.8
253.09244	3.6
293.21075	1.6
301.15536	1.0
323.22260	11.0
324.22705	0.9
469.13205	0.9
530.34015	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.3
57.03313	1.5
58.00462	1.1
58.04301	0.5
59.01253	24.9
61.98693	1.9
69.03311	0.6
70.53444	0.6
70.53764	0.8
71.01254	27.5
72.01593	0.6
72.97412	0.5
72.99178	3.0
73.02817	4.7
74.98966	2.1
75.72178	0.6
78.95757	0.9
80.69949	0.5
83.01261	4.1
85.02823	9.2
85.99958	0.6
86.33862	0.5
87.00756	4.4
89.01760	0.7
89.02312	11.6
95.01279	2.4
97.02805	0.6
99.00779	2.8
101.02322	15.4
113.02319	10.7
114.02654	0.5
118.97971	19.6
119.03391	3.2
125.02325	0.9
131.03383	2.2
133.02867	2.4
135.04401	1.9
143.03419	1.2
145.02777	1.5
149.02325	1.7
159.02901	1.2
161.02361	4.4
161.04457	4.3
163.03957	0.7
169.42938	0.4
175.03926	0.6
179.03383	1.9
179.05510	1.6
191.03426	0.5
195.13718	0.5
205.03442	0.7
212.99396	0.5
221.06641	2.7
223.16965	3.6
237.78763	0.5
248.56075	0.6
265.83093	0.5
277.21725	6.1
278.22125	0.6
295.22794	5.7
348.08234	0.5
439.26956	1.2
457.28009	9.9
458.28354	1.8
578.28699	0.7
601.32587	1.3
619.33282	100.0
620.33746	17.7
620.44220	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62482	1.1
55.47499	1.2
61.98697	2.6
70.99855	2.1
78.95776	100.0
83.04884	1.7
96.96854	9.5
100.26906	1.2
134.98436	1.3
152.99486	62.6
153.99783	1.3
154.99802	1.3
209.11787	28.9
210.12112	1.9
227.12808	8.3
255.23271	88.6
256.23596	8.7
363.12158	13.7
364.12448	1.9
381.13208	1.5
391.22513	25.7
392.22583	3.2
409.23584	12.9
410.23846	2.0
507.91080	1.4
619.36066	35.6
620.36511	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	619.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.9
60.28331	0.7
61.98697	1.4
71.01242	0.7
71.04858	0.7
71.52446	0.7
78.95767	3.9
96.71924	0.6
117.03351	34.5
118.03684	1.0
119.04062	1.2
119.04916	23.2
121.02837	12.1
123.04422	3.7
133.02849	4.1
134.03650	5.1
135.04391	2.3
145.02853	100.0
146.03214	5.2
161.02289	1.8
162.03133	7.0
163.03923	22.3
164.04182	1.2
179.03372	1.0
187.09834	0.7
301.14209	1.1
315.16037	1.0
353.17624	1.5
355.19128	3.0
356.97083	0.6
369.15958	1.2
369.20682	25.8
370.21173	3.8
399.09329	0.6
402.20401	7.5
403.20944	0.8
471.34656	1.2
501.30283	1.8
503.28040	27.0
504.28448	5.7
517.29749	1.6
573.35712	0.9
585.35706	1.0
586.36322	1.5
601.35229	3.7
602.36151	7.8
603.36206	1.7
606.54846	0.8
619.36426	35.3
620.36749	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	620.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.7
56.39737	1.6
57.03337	1.8
59.01235	7.3
61.98697	2.1
71.01260	6.1
75.00747	4.7
78.49665	1.8
78.95765	6.7
82.28854	1.6
85.02821	10.1
89.02291	2.3
95.17163	1.9
98.20583	4.6
101.02347	1.5
104.26166	1.6
105.03364	2.4
113.02334	7.8
115.62524	1.8
117.03344	32.3
118.03698	14.3
119.04910	7.6
120.05296	4.1
121.02846	3.1
123.04419	2.5
132.02048	5.9
133.02852	59.1
134.03160	3.2
135.04407	25.6
136.04704	2.0
140.91867	1.6
145.02852	76.1
146.03195	50.7
147.03378	11.9
148.03622	2.0
149.02296	2.0
151.03941	5.0
152.23953	1.6
161.02351	97.5
162.02747	5.6
165.17508	1.9
179.03410	22.4
207.10220	2.0
305.06787	1.7
351.05579	3.5
453.33798	2.2
485.36569	1.7
576.71222	2.2
582.70782	2.0
598.22400	39.7
598.72589	26.9
599.22821	5.7
619.39166	100.0
620.22949	4.2
620.39539	75.7
620.72107	5.0
621.18567	5.7
621.27399	4.4
621.39050	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	620.326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.3
59.01252	2.4
59.58801	0.3
61.98710	1.8
68.44897	0.3
71.01259	3.7
72.99183	0.8
73.02808	0.5
75.00725	0.5
78.95769	0.7
79.15015	0.3
83.01252	0.5
85.02826	2.6
87.00732	0.6
89.02331	1.3
93.42886	0.3
94.68207	0.3
95.01262	0.8
95.04889	0.4
99.00748	0.7
101.02342	1.1
105.03326	0.4
107.04944	0.4
109.02827	0.8
113.02341	4.3
115.00377	0.3
117.03355	0.8
120.01141	100.0
121.01582	1.4
121.02839	0.4
123.04417	4.3
132.02042	1.0
133.02858	16.1
134.03639	1.4
135.04413	21.7
137.02315	0.6
143.03467	0.3
145.02882	0.7
149.02348	1.8
150.03143	5.0
151.03908	7.5
151.05066	0.5
152.99504	0.6
153.83865	0.3
161.02353	49.9
161.04515	1.7
162.02719	0.4
163.03973	0.4
175.03941	0.3
177.01997	0.4
177.05380	0.4
178.02640	0.5
179.03419	29.9
203.03506	0.3
205.04994	0.4
209.11729	0.4
245.04446	0.4
251.05646	0.6
269.04529	0.5
305.06674	0.3
351.05774	1.6
382.07758	0.3
416.75330	0.3
437.30609	1.2
438.30856	0.4
455.31711	10.6
456.31995	1.9
459.15033	3.3
469.13312	0.7
487.14572	1.2
528.58704	0.3
609.47144	0.3
620.32544	1.0
621.18085	16.9
621.34100	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1094
Annotation	Apigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
57.03318	1.6
59.01249	8.2
70.37714	1.0
70.38060	0.5
71.01249	14.8
72.01606	0.4
72.99177	13.6
73.02820	2.1
75.00747	8.1
77.20689	0.3
83.01252	1.7
85.02822	15.5
87.00758	3.7
89.02318	4.5
95.01258	3.5
99.00755	6.2
101.02316	2.6
103.00253	6.1
103.03851	0.4
113.02330	33.5
114.02664	0.7
115.00244	2.0
117.01830	1.1
117.03358	0.5
129.01814	1.6
131.03409	2.9
133.01305	1.2
157.01326	1.5
175.00974	0.8
175.02402	10.6
193.03462	26.4
194.03804	0.7
220.28706	0.4
235.04524	1.1
241.44852	0.4
243.01904	0.4
269.04544	22.4
270.04807	1.9
289.05685	4.1
290.05972	0.5
305.88461	0.4
307.06702	0.9
311.05447	0.7
333.04730	3.2
349.40637	0.4
351.05667	100.0
352.06021	7.3
420.78525	0.5
466.36465	0.5
487.09116	0.7
621.11072	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17955	0.6
57.03395	0.6
59.01011	0.9
59.01301	2.5
59.86289	0.5
63.02322	0.7
64.11067	0.5
69.36687	3.1
69.37088	1.0
71.01254	11.9
72.99251	2.2
83.01250	3.3
85.02821	3.6
89.02367	0.9
95.01353	1.8
98.20696	0.5
99.00839	2.0
101.02378	0.9
107.01346	0.7
113.02350	7.9
113.03088	0.8
115.00303	1.7
120.63480	0.6
123.04485	1.1
131.03452	1.0
133.01410	1.5
133.02820	4.4
134.03613	0.7
135.04424	5.3
151.00360	0.8
151.03989	2.5
151.82710	0.6
161.02350	12.5
162.02783	1.3
165.09335	0.5
179.03423	7.8
208.17551	0.5
211.03893	0.6
227.03525	1.0
242.56863	0.6
245.57520	0.6
255.03040	2.3
256.03781	3.8
263.80814	0.6
283.02435	1.5
284.03259	71.2
285.03586	7.2
297.03958	0.7
298.04919	1.0
299.05597	100.0
300.05936	9.1
303.07126	1.4
321.08258	9.2
341.06519	0.9
351.05484	0.9
399.06555	0.8
459.12686	0.6
468.47632	0.6
559.14410	0.8
621.14496	22.7
622.15155	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	621.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25645	0.4
54.69566	0.4
57.03302	0.7
59.01254	4.9
61.98675	0.8
69.51084	3.0
71.01251	9.9
72.99165	2.1
73.02813	1.7
75.00721	0.7
77.63579	0.5
83.01254	1.6
85.02818	6.1
87.00743	1.4
89.02323	4.0
89.03812	0.4
93.28513	0.5
95.01254	2.0
97.02807	0.6
99.00748	5.7
101.02289	1.7
103.61534	0.4
105.03335	1.1
108.84665	0.4
109.02815	1.1
113.02338	13.1
116.92739	0.7
117.03394	0.5
121.10104	0.8
122.03638	0.9
123.04405	7.1
131.03426	0.6
132.02077	1.5
133.02852	28.6
134.03560	1.9
135.04416	39.8
136.04738	1.3
143.03410	0.8
145.02843	0.6
149.02388	1.0
149.04446	2.4
149.05878	0.8
150.03131	6.2
151.03911	15.6
155.71042	0.4
161.02350	100.0
161.04514	2.7
162.02690	4.7
165.09125	1.4
177.05440	0.5
178.02657	0.6
179.03421	66.3
180.03717	3.2
187.04042	0.6
191.05580	1.3
217.05017	0.6
233.04642	0.7
245.04465	0.6
251.05632	1.8
255.02983	0.6
256.03806	1.5
283.02740	0.6
283.85825	0.5
283.99982	0.7
284.03262	22.5
285.03485	2.8
299.05609	39.5
300.05939	3.0
305.06717	1.3
321.08221	3.7
323.07770	1.2
325.09418	0.6
345.16122	0.6
351.05780	1.7
355.18570	0.5
459.14819	5.6
460.15549	0.7
469.13712	1.6
477.19818	4.2
487.14581	4.8
541.17853	1.9
559.14752	0.6
621.18365	40.8
622.18665	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	621.1827
Annotation	Isocrenatoside
Peak:m/z	Relative Intensity
57.03323	2.6
58.00494	0.6
59.01249	10.9
61.98746	0.6
68.99719	0.5
69.27470	4.3
71.00893	1.0
71.01253	19.0
72.94352	0.5
72.99181	11.3
73.02833	3.2
75.00745	6.0
83.01260	6.2
85.02827	16.8
87.00738	4.3
89.02314	5.0
95.01264	4.6
95.01722	0.4
98.19811	0.7
99.00757	5.9
101.02328	10.9
103.00222	3.0
105.03399	1.1
107.04929	1.2
109.02871	1.0
111.00854	0.8
113.02331	27.1
114.02708	0.7
115.00272	1.2
117.01875	1.4
117.03370	1.3
119.03445	0.7
122.03680	0.8
123.04415	10.5
125.02359	0.5
127.00277	2.3
129.01851	1.0
131.03427	1.1
132.02090	2.1
133.02850	32.0
134.03720	3.0
135.04416	48.9
136.04784	1.8
143.03455	0.8
149.02332	1.4
150.03120	6.8
151.00386	0.7
151.03923	15.9
152.45888	0.5
161.02351	100.0
162.02713	4.3
163.03983	0.8
175.02409	4.9
179.03419	63.7
180.03798	2.9
193.03482	10.3
203.03304	0.9
205.04976	0.5
233.04327	0.6
251.05510	0.8
263.04074	0.6
269.04547	11.6
270.04672	1.8
284.03195	4.2
285.03537	1.0
289.05484	1.8
299.05655	4.0
305.06821	0.5
315.04901	0.8
346.82306	0.5
351.05682	37.7
352.06003	3.3
444.83420	0.4
457.09741	0.6
459.15070	5.8
469.13367	0.9
475.08157	1.0
487.14832	2.7
621.17072	22.7
622.17834	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	621.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75223	0.7
59.01252	5.5
67.01752	0.7
69.36159	1.7
69.36584	3.3
71.01252	17.8
72.99188	3.5
73.02815	1.8
75.00748	1.1
83.01260	4.2
85.02822	9.4
87.00745	1.8
89.02320	2.4
95.01263	2.8
99.00764	3.2
101.02336	1.6
103.00244	1.2
107.01230	0.8
107.04944	1.0
107.93834	0.6
109.02845	1.8
113.02335	12.4
114.02708	0.7
114.53517	0.6
115.00264	1.6
116.92733	2.0
117.03338	2.0
118.29510	0.6
119.04910	0.9
123.04421	5.5
125.02338	0.9
131.03342	1.0
132.02017	1.6
133.01334	1.0
133.02853	23.1
134.03586	2.1
135.04417	33.9
136.04718	1.3
144.39919	0.6
145.02844	4.8
150.03151	4.2
151.00288	1.6
151.03925	10.3
161.02354	68.4
161.04497	1.9
162.02707	3.5
163.03957	0.8
175.02402	1.1
179.03423	42.3
180.03787	2.2
199.03958	0.7
227.03362	0.9
233.11072	0.7
237.83311	0.7
241.05002	1.8
242.05766	1.6
255.03065	2.1
256.03763	4.7
269.04501	1.6
283.02423	1.3
284.03271	72.7
285.03604	7.8
299.05615	100.0
300.05966	7.8
303.07166	1.5
308.95062	0.7
321.08298	8.6
322.08566	0.8
341.06741	1.6
351.05573	5.2
415.14072	1.0
459.14417	4.5
469.13797	1.1
487.14615	2.5
541.17102	0.8
621.16583	26.3
622.18982	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98507	3.2
57.03362	2.5
57.64563	2.8
59.01257	4.2
68.07568	3.0
71.01260	4.1
78.95757	3.4
85.02815	4.7
98.19779	8.4
109.47405	3.3
113.02353	6.4
133.02881	8.4
135.04410	13.1
138.98479	3.3
151.03889	3.6
161.02357	28.5
179.03476	16.4
188.84241	3.9
189.01970	3.1
196.57578	3.0
226.86819	3.9
235.79698	3.2
267.52820	3.1
270.55783	3.8
351.05609	10.7
361.15393	3.3
373.04944	3.2
400.41150	3.8
430.14102	4.1
443.18936	6.2
444.19601	8.0
445.20596	9.3
446.21359	7.2
457.20566	6.0
458.20874	12.1
459.15292	4.4
459.22321	21.4
461.23380	7.2
471.17960	6.8
473.20062	10.1
474.21432	16.1
475.21701	4.9
485.19736	8.0
486.20609	35.7
487.21167	4.5
488.18549	9.8
489.18735	63.0
490.19873	13.2
492.68567	4.3
501.15759	5.7
501.23019	100.0
502.23453	15.8
503.21146	6.5
504.21490	4.6
516.17957	11.5
518.23102	30.5
527.20892	7.2
533.19171	4.1
533.25854	54.7
534.25696	9.7
545.21924	62.2
546.21826	16.3
548.20721	73.4
549.20624	17.4
554.13477	3.3
559.23438	11.0
561.21484	4.6
562.22119	16.5
577.24341	11.6
578.24939	4.1
621.23822	63.1
622.24774	15.9
623.51013	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	621.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
62.17149	1.3
68.69456	1.5
71.01261	2.4
75.00747	1.4
75.43835	1.3
78.95768	3.0
85.02811	1.6
89.66209	1.3
106.06541	1.6
113.02345	1.8
117.03340	4.2
133.02847	3.6
135.04402	5.9
136.65744	1.4
141.59846	1.6
145.02863	11.4
146.03221	7.6
147.03362	3.7
152.99500	1.8
161.02361	8.3
179.03378	5.1
195.10516	1.4
200.28976	1.4
305.15628	1.5
351.05899	1.5
401.17447	3.1
403.19290	1.7
415.19672	2.7
416.16699	2.0
428.16000	2.2
429.16995	2.2
431.18976	3.4
433.20447	2.5
441.17035	2.2
442.17810	4.1
443.18634	5.1
444.19617	9.2
445.20947	11.7
446.21484	7.5
457.20581	9.0
458.21036	6.6
459.22754	13.0
460.22412	5.5
461.15677	2.3
461.24014	6.5
462.23514	1.9
471.17627	10.8
473.24252	7.1
474.21170	22.3
475.21686	6.1
485.19720	17.7
486.20554	37.5
487.21170	9.9
488.18265	10.2
489.18427	8.0
489.22888	22.0
490.19052	1.4
490.23190	6.4
499.21359	2.5
501.22971	100.0
502.23407	17.9
503.20792	3.8
504.21408	1.7
512.18225	2.8
516.17999	14.5
517.18127	2.6
518.23236	14.7
519.23566	3.6
520.17688	2.8
527.21039	11.6
528.20825	2.4
531.19885	1.6
533.25934	31.6
534.26691	6.5
535.19769	2.6
544.21466	3.6
545.21954	68.2
546.22333	11.3
548.20581	17.0
549.21338	4.9
559.23309	14.0
560.23627	2.2
561.21545	4.7
562.22107	16.0
563.22131	2.2
577.24622	23.0
578.24426	2.8
589.20874	3.4
593.23877	2.2
620.39569	10.8
621.23755	27.6
621.39191	7.4
622.24066	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	621.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	4.5
57.03322	5.8
58.00465	2.1
59.01248	37.9
61.98708	2.1
71.01251	45.4
72.99177	19.2
73.02818	15.6
75.00750	9.4
80.93201	0.9
83.01258	52.4
84.01578	1.2
84.02032	1.1
85.00043	0.9
85.02820	24.9
87.00760	7.5
89.02318	24.7
90.75659	1.0
91.22397	0.9
95.01257	7.7
96.95912	1.2
97.02836	1.3
99.00751	19.9
101.02321	90.2
102.02686	1.0
103.00244	6.6
111.00769	1.3
113.02325	36.5
115.00262	3.4
117.01827	1.4
117.03342	1.4
119.03392	5.3
123.04450	1.9
127.00259	20.0
127.01138	1.7
131.03419	4.2
133.02853	5.2
135.04404	8.6
150.03105	1.5
151.03902	2.9
151.96849	1.0
157.01288	1.7
161.02351	15.7
161.04430	1.7
175.02385	7.7
179.03407	9.5
193.03459	19.3
193.05060	1.8
229.56447	1.0
246.39104	1.0
269.04541	23.9
269.07303	1.6
270.04843	2.0
272.76828	1.3
289.05737	3.4
333.04449	1.2
351.05649	64.7
352.06094	6.5
408.96323	1.3
493.23080	5.0
621.24133	100.0
622.24506	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	621.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28116	0.5
55.01769	1.1
57.03320	2.0
58.00469	1.6
59.01252	35.0
61.98703	26.4
68.99729	0.5
69.03316	3.8
71.01255	24.6
71.04890	0.8
72.97398	0.6
72.99180	3.5
73.02817	5.1
75.00736	1.2
81.03347	2.1
83.01265	3.0
83.04917	0.6
85.02820	10.3
85.06490	0.8
87.00753	6.0
89.02319	26.4
90.02650	0.6
93.03336	1.5
95.01276	3.5
95.04897	1.1
96.95895	1.2
97.02839	3.5
97.06472	0.6
98.20524	1.7
99.00773	3.8
101.02326	21.7
105.03355	0.8
107.04948	1.1
109.02850	1.6
109.06499	1.0
113.02332	19.0
114.02643	0.6
115.03934	0.6
117.03362	1.3
119.03394	7.8
119.04848	0.6
121.02818	1.4
123.04411	8.9
125.02339	7.2
125.09614	0.7
131.03407	0.9
132.02074	1.8
133.02856	30.0
134.03682	2.8
135.04417	42.5
136.04729	1.6
137.02374	1.6
139.03929	1.3
141.01833	0.7
143.03368	3.6
145.02863	1.5
148.01541	1.2
149.02362	2.5
149.04417	1.0
149.09624	0.6
150.03123	6.8
151.03918	13.1
152.04303	1.1
152.61571	0.6
161.02357	100.0
161.04269	6.0
162.02698	5.9
163.03943	1.2
167.10695	3.9
177.12711	0.7
179.03424	62.1
179.05479	4.6
179.10718	1.3
179.14311	4.7
180.03716	3.2
185.04543	0.7
193.03410	0.7
195.13834	12.7
205.04996	1.0
205.12277	10.8
206.12537	0.6
221.06543	1.1
223.13353	97.9
224.13690	6.1
233.04495	1.0
235.08194	7.1
253.09288	1.4
263.07767	1.3
287.07773	1.8
305.08795	1.6
323.10004	1.0
351.05734	2.7
397.13486	54.3
398.13913	4.4
415.14584	27.8
416.14835	2.2
459.15100	4.3
469.13516	1.8
487.14212	2.6
558.22491	1.1
621.18188	26.8
621.27728	6.2
622.18506	5.8
622.28522	1.5
623.19623	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.1
61.98690	0.4
63.96095	0.1
69.22140	0.1
69.33709	0.7
71.01257	0.3
72.99182	0.1
75.00747	0.1
78.95786	0.2
85.02824	0.2
89.02327	0.1
111.14171	0.1
113.02338	0.4
120.99541	100.0
121.99921	1.5
123.04408	0.3
133.02832	0.9
135.04428	1.3
150.03194	0.1
151.03970	0.4
161.02351	2.7
162.02773	0.1
175.68567	0.1
179.03439	1.8
180.03856	0.1
225.68228	0.1
314.55170	0.1
351.05667	0.3
455.31812	0.2
459.15225	0.1
547.52118	0.1
621.18585	0.9
621.31287	2.0
622.19452	0.2
622.31610	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.5
57.19040	0.9
58.00450	3.3
59.01251	71.2
61.98708	12.6
64.86037	0.9
71.01255	55.1
72.99189	6.0
73.02808	3.5
75.00735	1.7
78.95777	1.7
81.03291	1.0
83.01253	2.9
85.02820	15.5
87.00735	5.2
89.02318	72.0
90.02666	1.1
91.76646	1.0
95.01254	5.0
95.04922	1.1
99.00752	3.0
101.02328	24.9
102.02682	0.9
113.02333	30.8
115.85867	0.9
117.03352	1.3
119.03391	28.2
119.04899	1.3
120.99538	0.9
121.02820	1.7
122.70824	1.0
123.04420	8.2
131.03389	3.4
133.02849	34.8
134.03685	2.9
135.04420	49.1
136.04692	1.8
137.02351	2.1
137.88760	1.0
143.03439	6.1
145.02832	3.0
149.02365	1.6
149.04472	2.4
150.03181	5.4
151.03923	15.2
161.02353	100.0
161.04305	10.0
162.02695	6.0
163.03958	2.2
175.02402	1.5
175.03862	1.3
179.03404	68.3
179.05508	23.8
180.03749	1.3
180.05937	1.4
193.03409	1.9
251.05522	1.6
267.89508	1.1
269.04398	1.4
346.44107	1.0
351.05722	7.3
352.06064	1.2
378.14517	1.0
395.88266	1.0
459.15018	5.5
469.13400	1.2
487.14655	2.0
512.21716	1.1
561.29205	2.4
621.17987	29.5
622.18616	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	623.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.6
57.35185	0.7
59.01242	7.0
61.98697	1.1
65.00185	1.7
69.30386	1.1
69.30780	5.5
71.01252	10.4
72.99172	2.4
73.02827	1.5
75.00740	2.7
75.24494	0.6
81.65541	0.7
83.01263	3.5
85.02828	5.0
87.00740	2.1
88.98673	2.6
89.02319	3.6
91.35519	0.7
93.03373	1.1
95.01263	2.0
96.00632	0.6
99.00762	1.5
101.02312	3.9
106.14225	0.7
107.01263	1.9
109.02838	2.9
111.00738	3.9
111.83998	0.7
113.02334	8.2
114.02656	0.8
117.03369	1.0
119.03391	0.8
119.04877	1.5
121.02818	2.2
123.04379	1.7
125.02321	2.3
132.02109	1.0
133.02844	14.0
134.03123	0.7
135.04416	7.6
137.02303	3.6
137.06041	0.8
139.00230	1.3
141.73679	0.8
145.02872	1.1
149.02325	5.7
151.00269	6.7
153.01831	1.5
161.02345	31.8
162.02708	2.3
163.00259	1.3
165.01816	2.1
165.05522	0.7
166.99777	1.2
175.03983	1.7
177.01758	0.8
179.03413	4.2
187.03877	1.1
191.03328	1.7
192.00642	1.0
193.03346	0.7
199.03941	0.9
203.03406	0.8
207.10168	2.0
211.03989	1.2
225.11226	0.9
227.03394	1.1
229.04961	1.1
233.04417	0.7
239.03436	1.5
255.02989	3.9
256.04230	0.7
257.04465	4.5
273.03818	1.0
283.02530	4.1
284.03058	1.5
285.04004	20.2
286.04263	1.9
300.02621	2.7
301.03513	100.0
302.03784	7.7
315.07217	0.9
321.08203	1.7
343.04794	3.5
345.15372	1.2
352.06073	0.8
353.06131	1.1
399.07034	1.4
461.15079	5.3
489.10272	2.7
531.31152	0.8
623.11230	15.7
623.20673	5.2
624.12878	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55511	0.3
59.01260	2.3
63.02266	0.6
65.00195	0.6
69.63274	2.1
71.01258	3.8
72.99177	1.2
75.00732	1.0
85.02824	3.1
87.00738	0.8
89.02310	0.9
95.01247	0.8
99.00761	1.5
101.02335	0.6
103.00269	0.6
107.01268	1.1
109.02828	0.6
111.00739	0.7
113.02325	3.4
115.00257	0.7
117.01821	0.4
121.02898	0.4
129.01860	0.5
133.02846	4.5
135.04416	1.0
136.04733	0.4
145.02893	0.4
149.02338	1.2
151.00249	2.8
159.56351	0.3
161.02315	2.8
162.02756	0.5
175.02574	0.5
175.03899	2.3
179.03426	0.9
180.03754	0.5
193.03433	0.8
199.03912	1.4
201.01936	0.5
217.05046	1.3
241.04988	0.5
256.03802	0.5
257.04364	0.5
269.04639	0.6
269.08047	0.4
270.08447	0.5
284.03311	2.6
285.04047	100.0
286.04385	7.7
297.04041	0.5
313.66913	0.4
327.05084	1.5
351.05734	0.6
352.06100	0.9
353.06006	1.0
357.05936	0.8
443.06015	0.5
447.09238	7.9
448.09909	0.8
461.07217	19.2
462.07712	1.7
492.44080	0.4
503.08487	2.4
504.08051	0.4
622.18469	0.8
623.11859	11.7
624.12219	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1979
Annotation	Forsythiaside
Peak:m/z	Relative Intensity
52.56659	0.7
52.97408	0.6
59.01251	2.6
69.37342	5.5
70.49460	0.8
71.01249	3.7
75.88613	0.7
85.02822	5.7
86.38618	0.8
89.02285	0.8
95.01242	1.5
109.77514	0.8
113.02343	9.0
123.04453	0.9
132.02048	1.8
133.02852	28.4
134.03217	1.1
135.04408	10.9
161.02354	100.0
162.02681	6.0
179.03391	3.2
180.03606	1.2
461.16718	14.8
462.17184	2.2
623.19806	88.5
624.20068	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71961	0.4
52.88052	0.4
57.03317	1.3
59.01254	7.0
71.00853	0.6
71.01253	11.0
71.38662	0.6
71.38980	0.8
72.99205	0.6
73.02811	0.9
78.47281	0.4
79.77174	0.5
82.58884	0.6
83.01255	0.8
83.10439	0.5
85.02822	10.2
87.00748	0.6
89.02326	4.2
90.44981	0.4
95.01259	3.8
97.02852	0.8
99.00706	0.7
101.02336	2.8
109.06481	0.7
110.08020	0.5
113.02336	18.7
114.02664	0.5
117.03348	1.3
119.03380	1.0
123.04424	1.6
132.02075	2.0
133.02849	35.0
134.03238	1.7
135.04420	23.9
136.04716	0.9
151.00320	0.6
153.05478	1.3
160.01486	0.6
161.02350	100.0
162.02701	6.4
163.11122	0.6
179.03421	7.3
180.03728	0.7
199.03880	0.6
207.10179	2.8
220.57872	0.5
225.11255	1.8
233.04549	1.1
242.02556	0.5
243.02910	2.1
249.28378	0.4
251.05542	1.2
255.02895	1.1
271.02518	3.9
272.03012	0.7
285.03964	0.8
297.09982	0.6
299.02008	3.4
300.02725	3.0
314.04440	2.3
315.05130	7.8
315.10709	1.1
316.05359	1.2
397.13635	1.2
415.14523	1.1
427.15936	0.9
461.16653	8.2
462.16919	1.8
501.20813	0.5
623.19757	62.6
624.20020	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	623.1997
Annotation	Forsythiaside
Peak:m/z	Relative Intensity
57.03332	0.6
59.01254	4.6
67.08704	0.4
69.17377	0.4
69.46336	2.5
71.01250	5.3
85.02821	5.8
86.03128	0.4
89.02327	2.1
92.36742	0.4
95.01256	2.5
99.00780	0.5
101.02330	0.8
105.11708	0.4
113.02333	11.7
117.03352	1.0
117.93868	0.4
118.94671	0.3
119.03388	0.5
123.04435	1.5
124.04910	0.4
132.02080	2.0
133.02859	30.2
134.03088	1.8
135.04425	12.7
136.04781	1.1
137.02359	0.5
150.65201	0.3
151.03854	0.9
153.05536	0.5
161.02362	100.0
162.02711	7.8
163.02905	0.8
179.03435	5.7
180.03728	1.8
181.03850	0.6
308.09158	0.4
315.05005	0.4
315.11069	0.7
357.49603	0.4
358.16351	0.4
362.43832	0.4
460.06854	0.4
461.16641	11.3
462.17102	1.4
479.20901	0.5
482.04657	0.4
623.19739	63.2
624.20123	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	623.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07725	1.4
55.01766	2.2
57.03342	2.1
59.01252	19.5
61.24997	1.2
61.98705	69.5
71.01254	24.9
71.01606	1.8
71.52277	2.2
72.99189	2.5
73.02820	12.3
74.02383	2.4
75.00775	1.3
80.96426	4.7
83.01262	1.7
85.02828	11.0
87.00803	2.1
89.02323	14.2
91.91483	1.4
95.01323	4.7
99.00761	34.4
99.01331	2.4
101.02333	10.9
112.49221	1.4
113.02341	24.5
113.03061	1.6
117.03352	32.1
118.03753	1.7
118.98024	3.0
119.03489	2.4
119.04922	15.2
119.05618	1.5
121.10140	2.9
123.04418	2.8
131.03426	3.1
132.02098	1.5
133.02856	31.4
133.06499	2.4
134.03291	1.4
135.04417	20.4
135.05280	1.5
136.04808	4.8
137.02356	3.1
145.02863	100.0
146.03250	4.8
149.04543	3.4
151.03934	1.7
152.04320	2.1
152.99580	1.3
161.02357	94.8
161.05923	7.4
161.68739	1.3
162.02740	7.7
163.03949	17.2
174.74785	1.3
179.03407	15.7
180.03856	5.9
181.04124	1.5
191.05501	2.4
198.34290	1.4
205.05003	7.5
225.00864	1.7
235.06238	3.6
265.07062	8.2
307.08417	4.2
345.15823	1.9
364.90903	1.3
380.51379	1.3
459.65280	1.3
461.16891	5.7
477.19745	33.3
477.30350	1.7
478.20581	4.8
623.23364	75.6
624.23376	13.2
624.33051	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	623.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07725	1.4
55.01766	2.2
57.03342	2.1
59.01252	19.5
61.24997	1.2
61.98705	69.5
71.01254	24.9
71.01606	1.8
71.52277	2.2
72.99189	2.5
73.02820	12.3
74.02383	2.4
75.00775	1.3
80.96426	4.7
83.01262	1.7
85.02828	11.0
87.00803	2.1
89.02323	14.2
91.91483	1.4
95.01323	4.7
99.00761	34.4
99.01331	2.4
101.02333	10.9
112.49221	1.4
113.02341	24.5
113.03061	1.6
117.03352	32.1
118.03753	1.7
118.98024	3.0
119.03489	2.4
119.04922	15.2
119.05618	1.5
121.10140	2.9
123.04418	2.8
131.03426	3.1
132.02098	1.5
133.02856	31.4
133.06499	2.4
134.03291	1.4
135.04417	20.4
135.05280	1.5
136.04808	4.8
137.02356	3.1
145.02863	100.0
146.03250	4.8
149.04543	3.4
151.03934	1.7
152.04320	2.1
152.99580	1.3
161.02357	94.8
161.05923	7.4
161.68739	1.3
162.02740	7.7
163.03949	17.2
174.74785	1.3
179.03407	15.7
180.03856	5.9
181.04124	1.5
191.05501	2.4
198.34290	1.4
205.05003	7.5
225.00864	1.7
235.06238	3.6
265.07062	8.2
307.08417	4.2
345.15823	1.9
364.90903	1.3
380.51379	1.3
459.65280	1.3
461.16891	5.7
477.19745	33.3
477.30350	1.7
478.20581	4.8
623.23364	75.6
624.23376	13.2
624.33051	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	623.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	3.6
57.03322	5.0
58.00464	1.1
59.01255	15.4
61.98693	0.6
69.35722	3.6
69.49903	0.5
71.01257	15.1
71.59010	0.5
72.99168	1.0
73.02821	13.8
75.00710	0.5
83.01258	40.9
84.01601	0.8
85.02818	8.0
87.00745	1.2
89.02322	7.0
90.16021	0.5
95.01281	1.8
97.02851	0.7
99.00766	6.1
101.02327	78.0
102.02698	1.0
109.02814	0.7
111.00763	2.5
113.02332	8.9
119.03410	2.1
123.04433	1.0
125.02363	0.6
127.00269	14.9
133.02847	6.9
135.04404	4.3
136.04674	0.9
137.02364	1.1
150.03201	0.6
151.03867	0.6
159.02956	1.0
161.02354	20.1
161.04430	1.0
162.02672	2.8
163.02856	0.9
179.03432	2.3
180.03780	1.1
207.10179	0.7
225.11475	0.6
243.06499	0.6
244.23653	0.6
286.96664	0.6
327.16553	0.5
333.19278	1.1
343.59009	0.6
461.16705	1.6
477.23380	1.4
495.24463	9.1
496.25119	0.9
613.61481	0.7
623.25854	100.0
624.26184	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	623.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07418	0.5
57.03323	1.1
59.01254	4.7
61.98703	8.3
62.96289	0.6
70.99408	1.4
71.01251	7.7
72.99161	0.7
73.02822	1.3
78.95777	100.0
79.05867	0.5
80.02545	1.8
81.03332	1.5
83.01255	0.9
83.04898	6.8
84.02052	1.6
85.02824	5.0
87.00730	0.8
89.02348	3.0
95.01314	2.4
95.04870	0.7
96.96848	8.1
101.02310	2.7
107.04920	0.9
109.02826	1.2
109.06484	1.0
113.02335	9.8
114.02628	0.8
117.03349	0.8
118.97948	1.3
119.03382	0.8
120.99519	1.3
121.02830	0.8
123.04406	1.4
125.05972	1.1
125.09558	0.6
132.02081	1.5
133.02849	20.4
134.03476	2.5
134.98442	1.4
135.04425	32.9
135.08070	1.2
136.04764	9.6
137.02322	1.7
139.03854	0.7
142.97162	0.5
145.02924	1.1
147.04468	1.2
149.05995	0.8
151.03911	1.4
152.99490	59.2
153.05423	0.7
153.99814	1.2
161.02353	55.2
162.02690	8.7
163.02867	1.4
163.11215	5.6
165.12790	3.4
171.00604	1.3
178.02602	1.3
179.03418	47.0
180.03758	21.0
181.03914	2.0
181.12347	1.2
191.10710	1.3
203.11119	0.6
207.10213	1.8
209.11771	98.0
210.12126	6.0
225.11171	1.5
227.12839	10.4
251.05565	1.5
252.06006	1.4
259.15704	0.5
262.75064	0.5
305.06757	0.6
323.07635	1.0
324.08246	0.9
363.12140	31.0
364.12372	2.7
381.13184	9.5
395.14685	7.4
396.15021	1.0
398.30682	0.6
413.15912	1.8
461.16309	3.8
461.31259	1.6
487.14215	0.8
488.15115	0.9
591.25781	41.9
592.26093	6.8
623.19519	18.0
623.28497	20.1
623.35724	0.8
623.38483	0.9
624.20435	3.7
624.27380	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.5
61.98701	100.0
63.91051	0.2
71.01263	1.9
72.99197	0.2
73.02825	0.5
74.02341	0.6
74.88102	0.2
78.95762	0.2
80.96382	1.0
83.24654	0.2
85.02831	0.8
87.00775	0.2
89.02328	0.8
95.01260	0.2
97.65362	0.2
99.00805	0.2
101.02344	0.8
111.93911	0.2
113.02358	0.8
113.49484	0.2
119.03406	0.2
119.04942	0.2
121.02850	0.2
132.02165	0.2
133.02905	1.1
134.03200	0.4
135.04408	0.6
136.04819	0.2
137.02402	0.3
145.02798	1.1
146.03239	0.2
151.00333	0.2
152.04340	0.2
161.02351	2.9
161.04517	0.2
162.02673	1.0
179.03500	0.5
188.57469	0.2
192.94153	0.2
225.00682	0.2
255.22925	0.2
264.40173	0.2
285.04010	0.2
286.04355	0.4
326.04095	0.2
362.88818	0.2
416.66397	0.2
462.16782	0.2
537.20190	0.2
585.49420	0.2
624.19421	1.5
624.35974	0.7
625.24194	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.6
61.98703	100.0
62.98403	0.2
62.99139	0.2
71.01257	1.4
71.52238	0.2
72.99171	0.3
73.02833	0.2
79.95615	0.3
80.96400	1.3
85.02811	1.2
87.00786	0.4
89.02328	0.6
94.97989	0.3
95.01308	0.4
101.02328	0.6
113.02345	2.0
114.02664	0.3
117.03367	0.3
118.95393	0.2
119.40452	0.2
123.04404	0.2
130.98222	0.2
132.02052	0.2
133.02867	4.3
134.03140	1.2
135.04414	1.7
136.04745	0.8
137.02324	0.6
139.03879	0.3
145.02853	0.8
149.05928	0.3
151.03963	0.3
152.01027	0.2
161.02351	12.8
162.01329	0.3
162.02684	5.1
163.02887	0.4
164.98575	0.4
175.03908	0.3
179.03375	1.0
179.05602	0.2
180.03755	0.4
225.00624	0.3
244.02853	0.2
252.19856	0.2
274.83746	0.2
307.08133	0.2
355.02704	0.2
410.76794	0.2
421.61334	0.2
461.16464	0.4
462.16852	0.9
463.17444	0.2
624.19916	6.5
625.26025	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	624.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27795	0.2
54.71841	0.2
59.01243	2.5
61.98703	100.0
71.01250	3.3
71.07380	0.2
72.01588	0.4
72.99207	0.2
73.02815	0.6
74.02355	0.5
78.95782	0.4
79.95583	0.4
80.96394	1.1
83.01247	0.2
85.02827	1.6
86.29233	0.2
87.00762	0.5
89.02316	1.5
90.32101	0.2
91.05399	0.2
94.97955	0.2
95.01285	0.3
99.00753	1.8
100.01087	0.3
101.02325	1.4
105.40607	0.2
107.04946	0.4
111.00794	0.3
113.02339	2.1
114.02695	0.6
117.03336	1.3
118.03718	0.3
119.03429	0.3
119.04917	0.8
120.05267	0.3
123.04439	0.3
132.02087	0.3
133.02855	3.4
134.03149	1.2
135.04407	2.0
136.04774	0.9
137.02371	0.8
143.03371	0.2
145.02856	4.0
145.03931	0.4
146.03188	1.2
151.03944	0.4
153.05481	0.2
161.02353	10.1
161.06007	0.3
162.02701	4.0
162.06435	0.2
163.02803	0.4
163.03986	0.7
164.04324	0.2
178.02670	0.2
179.03400	2.0
180.03833	0.6
181.03859	0.4
201.96609	0.2
225.00841	0.3
255.03035	0.8
265.07281	0.4
283.02603	0.7
284.03412	0.3
285.04160	0.6
314.68787	0.2
323.07822	0.3
420.04984	0.2
446.08618	0.4
462.17130	0.6
470.13602	0.2
477.19827	0.4
478.20111	1.0
528.15198	0.3
623.36981	0.2
624.21356	5.3
624.36078	0.8
625.25458	1.6
625.38507	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.7
61.98701	100.0
62.98395	0.3
71.01260	0.8
72.99181	0.1
73.02816	0.2
74.02348	0.3
79.95625	0.1
80.96387	0.5
81.49360	0.1
83.01270	0.1
85.02831	0.4
87.00742	0.1
89.02330	0.3
95.01254	0.1
96.96025	0.1
97.02799	0.1
99.00835	0.1
101.02340	0.3
113.02346	0.4
119.03433	0.1
119.04924	0.1
125.02365	0.2
133.02875	0.9
134.03288	0.2
135.04440	0.4
136.04768	0.1
137.02338	0.2
145.02867	0.2
160.01674	0.1
161.02353	1.9
162.02690	0.7
164.98607	0.1
171.91005	0.1
175.02480	0.1
175.03964	0.1
177.01799	0.1
179.03470	0.4
225.00732	0.2
285.04138	0.3
286.04355	0.2
528.15125	0.2
556.97766	0.1
624.20483	0.8
624.32111	0.7
625.25183	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.6
57.03312	0.7
58.00499	0.4
58.01559	0.6
59.01248	8.7
61.98702	100.0
71.01252	10.8
72.01595	0.6
72.99191	1.3
73.02821	2.2
74.02344	26.0
75.00760	1.1
77.97765	0.5
78.95739	0.5
78.98476	0.6
79.95625	0.7
80.96390	3.8
83.01252	2.4
85.02821	6.5
86.03177	0.6
87.00750	1.2
88.98708	0.6
89.02322	2.2
93.03403	0.7
95.01273	1.2
97.02835	0.6
99.00759	1.0
101.02327	5.0
109.02841	0.7
113.02335	6.6
117.03354	0.5
119.04907	0.7
123.04385	0.9
124.95741	0.5
125.02351	1.5
132.02118	0.6
133.02856	10.8
134.03130	3.0
135.04387	5.5
136.04803	1.8
137.02383	2.2
139.03961	0.6
145.02888	1.2
151.03925	0.9
161.02350	27.1
161.04509	1.1
162.02693	10.6
163.02812	0.9
164.98479	0.7
172.19592	0.5
178.02620	0.7
179.03435	3.8
180.03781	1.5
181.03914	0.8
205.72859	0.6
225.00751	1.3
243.19649	1.4
254.21124	0.6
256.22910	0.6
276.72525	0.6
300.21741	0.6
405.25006	1.1
420.30768	0.6
444.25809	1.1
462.17059	1.7
462.27029	2.7
463.17023	0.5
521.29126	0.5
528.15021	0.8
539.21344	0.5
549.28845	0.9
590.00684	0.5
624.20490	14.2
624.32513	55.0
625.25244	1.6
625.33490	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	624.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.0
57.03333	2.3
58.00459	0.6
59.01249	13.2
61.98704	97.4
70.44672	0.6
71.01254	16.9
71.17948	0.5
72.99182	1.8
73.02815	4.1
73.82071	0.5
74.02346	48.4
75.00751	1.8
78.95786	1.0
79.95621	0.7
80.96401	3.0
81.03288	0.5
83.01262	3.4
85.02823	9.2
86.03149	0.6
87.00761	2.3
88.98684	0.6
89.02327	4.0
93.03355	0.7
94.97964	0.7
95.01262	2.5
96.95931	0.7
97.02833	1.2
99.00750	2.6
101.02320	8.9
108.02010	0.5
109.02817	0.8
111.00785	0.9
112.01545	1.1
113.02332	8.9
114.02676	0.6
117.03297	1.1
119.04935	1.2
123.04391	1.1
125.02348	2.4
129.34108	0.5
131.03458	0.5
132.02074	1.1
133.02861	11.5
134.03261	2.3
135.04436	6.2
136.04738	1.8
137.02376	2.4
139.03877	0.8
145.02888	2.7
151.03951	0.9
152.01073	0.6
159.02968	0.5
161.02354	24.9
161.04504	1.6
162.02708	8.9
163.02811	1.0
163.04010	0.7
172.89854	0.6
178.02629	1.3
179.03430	3.1
180.03801	1.5
181.03912	0.7
225.00490	0.6
235.94807	0.6
243.19675	2.4
256.22745	1.4
259.58493	0.5
300.21756	0.9
373.08359	0.5
387.24100	0.9
405.24884	2.1
413.10397	0.5
444.25879	1.9
462.16977	1.7
462.27078	5.4
463.27023	0.8
528.14746	1.7
549.29260	1.8
606.31329	2.4
624.20398	11.6
624.32294	100.0
625.24567	3.4
625.33325	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	625.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.0
59.01252	25.3
61.98703	42.1
71.01257	11.4
71.32046	2.0
72.99209	1.2
73.02822	2.0
74.02349	3.2
79.95616	1.3
80.96392	10.1
83.01289	1.8
84.24162	1.0
85.02815	6.1
89.02322	4.4
93.03327	1.4
94.97954	2.1
99.00789	1.4
99.04414	2.4
101.02300	5.4
105.58252	1.0
109.02834	1.7
113.02328	9.0
116.15624	1.2
117.03349	24.5
119.03485	1.6
119.04915	8.6
121.02836	1.3
123.04448	1.1
125.02381	2.2
131.86034	1.0
133.02869	7.9
134.03653	11.0
135.04379	5.5
136.14207	1.0
137.02319	4.0
143.04884	1.8
145.02859	100.0
146.03198	3.9
147.04355	1.9
148.05211	1.3
149.02359	1.6
149.06009	1.7
152.98468	1.5
160.01529	4.0
161.02357	14.1
162.02675	3.3
163.03990	6.5
164.98550	2.4
165.12784	1.3
175.03944	6.5
176.04689	4.2
177.01779	1.3
177.05586	1.3
178.02602	2.8
179.03456	2.5
187.03796	1.4
187.08762	2.6
191.07050	6.8
193.04941	8.8
205.05046	2.4
207.06520	2.2
207.13821	3.1
209.11768	7.1
220.03719	1.8
223.06004	2.0
225.00682	2.4
225.14934	1.5
235.06018	11.2
236.06432	1.6
265.07147	3.5
269.13943	34.5
270.14386	2.0
278.22021	1.1
287.86505	1.2
295.08176	5.6
301.11887	2.1
336.58484	1.1
355.10263	2.4
449.20117	4.2
451.12167	1.1
460.17596	1.1
463.17172	3.7
581.22455	13.7
582.22473	2.0
624.32104	2.6
625.24988	24.3
625.33301	4.5
626.25098	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	625.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98828	0.4
57.03332	1.3
58.00467	0.8
59.01257	6.4
61.98702	8.2
69.03314	1.3
69.35212	0.6
70.79484	0.5
71.01249	6.9
72.99174	0.6
73.02802	1.9
78.95779	58.7
80.96387	0.9
83.04888	1.1
85.02821	5.5
87.00754	0.8
89.02306	3.0
94.97962	0.5
95.01255	2.4
96.96840	11.4
97.02818	1.3
97.06498	0.6
101.02309	2.5
108.02081	3.1
109.02807	1.7
111.07388	0.7
111.08044	7.3
113.02335	10.5
114.02689	0.6
117.03350	0.8
119.03357	1.0
123.04425	1.3
125.02377	0.6
125.09594	0.9
133.02843	2.7
135.04451	2.8
136.04726	0.9
137.02335	0.8
145.02773	1.5
150.97960	0.7
152.01015	2.7
152.99492	62.7
153.05431	0.9
153.12762	1.0
153.99812	1.2
154.41791	0.5
161.02356	7.4
161.04488	2.6
162.02635	1.9
163.02744	1.0
163.11137	0.8
164.61148	0.5
169.12259	4.0
171.00540	1.6
171.10103	1.1
172.13701	0.7
179.03406	2.0
179.10797	0.7
180.03783	1.1
181.12309	1.2
187.07590	1.1
197.11778	36.5
198.12106	2.0
199.13338	1.9
201.05496	3.6
201.09184	1.1
208.95612	0.6
209.11775	5.2
211.13458	2.8
223.00107	6.2
227.12708	1.1
229.08652	1.0
230.09425	7.3
231.09892	0.6
238.64174	0.7
241.01175	23.2
247.20477	0.8
259.02121	1.3
263.20178	1.6
289.01965	0.7
291.19666	4.9
292.19885	0.8
299.16327	1.3
309.20728	18.9
310.20956	1.2
315.04831	8.8
333.05811	2.0
389.07141	0.6
389.23715	0.6
496.95667	0.6
556.21698	1.3
564.34351	0.5
607.22046	0.7
625.26440	100.0
626.26740	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51159	0.7
51.11575	0.7
55.01762	0.8
56.08803	0.7
57.03321	1.0
58.00447	1.0
58.52878	0.7
59.01251	5.6
61.98705	7.6
64.27840	0.6
69.03304	0.9
71.01247	5.8
71.51281	1.4
73.02811	1.1
78.95775	61.8
79.38566	0.7
80.96371	1.6
83.04901	1.0
85.02805	2.1
89.02334	2.2
96.95891	1.8
96.96839	12.9
97.02803	1.0
97.06451	0.8
97.96313	0.8
99.00721	0.7
101.02326	3.1
109.02847	0.9
111.08042	8.2
113.02319	3.9
117.03300	0.9
119.03384	1.8
133.02824	1.3
135.04395	3.0
137.02257	1.4
145.02904	2.0
147.04411	1.5
150.05287	0.7
150.97920	1.5
152.99486	65.7
153.99850	1.6
161.02376	5.1
162.02676	1.3
169.12256	5.3
171.00578	1.0
179.03407	2.6
181.12294	0.9
183.13797	1.0
197.11760	44.2
198.12094	2.1
206.41850	0.7
209.11737	6.1
210.67566	0.7
211.13380	4.5
220.88928	0.8
223.00101	7.3
227.12990	1.8
241.01152	24.6
242.01538	1.2
259.02322	2.2
265.03412	0.7
291.19669	4.1
309.20676	14.8
310.21011	1.4
315.04950	8.2
333.05908	1.2
333.89600	0.8
625.26300	100.0
626.26453	15.9
626.36200	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69104	0.7
57.03334	1.5
59.01252	22.3
61.98699	3.4
65.33373	0.9
70.56265	0.8
70.81006	1.4
71.01258	19.6
72.99180	2.2
73.02826	2.2
75.00735	1.3
79.40685	0.8
80.02553	1.9
81.03318	2.2
83.01264	3.3
83.04879	5.3
84.02048	0.9
85.02819	6.2
87.00739	2.8
87.44695	0.7
89.02318	15.3
93.16226	0.8
95.01277	2.2
95.04873	1.1
97.02821	2.4
99.00755	1.9
99.04426	0.9
101.02322	14.6
101.02930	1.4
104.26542	0.8
109.02820	1.0
111.00756	1.5
111.04406	0.8
113.02337	11.7
114.02644	1.2
119.03396	4.9
121.02800	1.4
123.04398	2.3
125.02360	5.4
125.52859	0.9
131.03372	1.3
133.02826	3.6
134.03249	1.5
135.04439	4.0
135.08061	1.3
136.04657	1.0
137.02373	1.3
143.03394	2.8
145.02782	0.9
149.02328	2.3
149.04381	1.1
150.03096	1.3
151.00279	1.1
151.03879	2.7
152.01053	1.0
161.02359	11.7
161.04439	4.5
162.02699	3.4
163.00200	1.7
163.02759	1.1
163.11209	5.3
165.12743	3.6
175.34775	0.9
177.01813	2.0
178.02617	2.7
179.03413	3.4
179.05478	2.8
179.06932	1.2
180.04012	1.2
181.04898	1.2
187.03925	1.0
187.07538	3.4
192.04189	2.6
193.04985	5.7
207.06558	2.2
209.11771	100.0
210.12123	6.6
215.07034	1.4
221.06712	0.8
223.05981	1.9
227.12860	19.5
231.06467	0.9
232.61510	0.8
235.06123	0.8
235.08199	4.2
241.07166	1.5
257.08194	4.3
287.07822	0.8
299.09332	1.6
300.02768	1.2
301.03522	2.8
305.08752	0.9
323.09937	1.1
343.12033	1.5
373.12891	5.2
397.13507	28.4
398.13684	2.4
403.13873	10.5
404.14203	1.7
415.14523	19.1
416.14783	1.6
459.15598	1.3
460.15802	0.9
461.16379	1.0
463.08871	2.9
581.18158	1.5
625.19714	6.0
625.29706	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	625.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40133	0.9
55.01753	2.8
57.03326	2.5
58.00467	3.7
59.01249	87.9
61.98711	1.1
67.03214	0.9
69.03322	1.1
71.01253	76.9
72.01589	2.4
72.99165	7.6
73.02818	24.6
75.00739	3.0
78.78735	1.2
83.01250	3.8
84.64538	1.1
85.02815	22.8
85.35072	0.9
87.00759	5.0
89.01488	1.2
89.02315	74.3
95.01268	9.1
99.00752	99.0
100.01092	1.9
101.02321	33.2
102.02654	1.9
108.02042	1.1
113.02331	45.8
114.02666	1.8
115.19394	1.0
117.01965	1.0
119.03378	13.4
119.04167	1.6
125.02332	1.6
131.03410	11.5
143.03406	4.4
146.58408	0.9
149.04454	36.5
150.04762	1.1
152.01068	1.2
161.04465	16.3
178.70465	1.0
179.04114	0.9
179.05447	6.3
191.05562	32.3
205.30675	1.0
227.12733	2.1
233.06615	9.6
269.04572	1.2
285.03976	2.9
286.04410	1.5
287.04764	2.0
293.08844	3.2
351.05899	1.3
409.31689	1.2
445.20844	5.4
463.21725	1.5
493.22928	30.3
494.23251	3.6
625.27106	100.0
626.27570	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	625.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57592	1.6
55.01722	2.6
57.03304	7.0
59.01250	31.7
61.98711	4.2
71.01254	34.3
71.53149	1.7
72.99162	3.9
73.02818	11.9
75.00737	4.3
80.97708	1.8
81.03349	1.8
83.01260	25.6
83.04903	8.2
85.02821	12.3
87.00741	5.3
89.02325	21.0
95.01259	3.0
97.02796	3.3
99.00740	5.0
101.02324	62.8
111.00737	3.4
113.02320	13.2
119.03359	6.6
125.02296	6.5
127.00208	7.3
133.02808	3.7
135.04362	3.1
137.02321	4.0
143.03375	2.0
151.00232	3.9
151.03862	2.7
158.05676	2.0
161.02303	8.1
161.04408	7.1
162.02663	2.4
163.11163	5.5
165.12726	3.2
179.03374	2.6
179.05525	3.7
187.07587	5.2
209.11771	100.0
210.12056	6.3
215.06908	2.4
227.12874	20.0
235.08220	4.0
257.08124	7.6
271.02283	3.1
285.03735	3.3
299.01895	4.2
317.02673	2.2
367.12015	2.2
397.13541	29.3
398.13623	2.2
415.14630	19.3
416.14807	2.4
497.25677	4.9
581.18842	3.8
625.12469	3.1
625.27411	63.4
626.27454	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	625.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.8
57.03309	1.2
59.01252	10.4
61.98706	14.6
69.03339	1.2
69.25317	5.2
71.01258	11.8
72.99167	1.8
73.02822	3.2
76.15435	0.6
78.95772	1.5
80.96400	2.2
81.03320	1.1
83.01266	2.3
83.04879	0.8
85.02817	9.5
87.00763	1.8
89.02314	3.9
93.03345	2.2
94.98001	0.9
95.01268	4.8
96.00995	0.6
99.00784	2.1
101.02319	6.1
108.02057	69.2
109.02852	32.7
109.03971	0.8
110.03192	1.0
111.00761	1.0
113.02324	5.9
117.03321	1.3
119.03365	1.0
119.04882	0.9
121.02853	1.3
123.00774	2.4
123.04369	1.0
125.02394	1.2
131.10309	0.6
133.02861	2.8
135.00763	1.0
135.04446	3.2
136.04716	0.7
137.02361	2.2
143.03360	0.9
145.02884	2.4
151.03952	0.9
152.01070	59.4
152.99574	1.3
153.01869	15.0
160.01501	0.7
161.02383	7.5
161.04478	1.4
162.02711	2.3
163.03981	1.2
165.01866	1.6
170.58905	0.7
171.10231	1.5
178.02460	0.8
179.03438	2.2
183.13924	0.7
201.05763	0.6
203.91849	0.6
209.11803	1.5
211.13374	4.5
229.14420	3.6
241.01221	0.8
281.59485	0.7
291.19687	1.7
297.05991	0.8
327.21826	4.8
328.21933	0.8
461.31140	0.8
462.31790	1.0
463.32468	2.6
600.55872	1.0
624.38092	1.2
625.28699	100.0
625.38098	18.1
626.29120	18.3
626.38507	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	626.245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26129	0.3
59.01250	2.0
60.99182	0.3
61.98703	100.0
62.21297	0.3
68.65916	0.3
69.47106	2.0
71.01250	1.5
72.99180	0.3
76.86446	0.3
78.95821	0.3
80.96397	1.1
85.02822	0.6
88.98691	1.1
89.02335	0.5
95.01277	0.5
98.20497	0.5
101.02342	1.0
107.41740	0.3
113.02312	1.5
113.19865	0.3
119.04949	0.3
125.02300	0.4
133.02858	1.7
134.03677	0.3
135.04430	0.9
137.02328	0.6
145.02907	0.5
148.59908	0.3
161.02350	3.9
175.03951	0.3
179.03462	0.5
195.94682	0.3
223.06195	0.6
225.00758	0.4
376.12253	0.3
426.02274	0.3
434.22107	0.3
467.30737	0.3
554.25574	0.3
563.25549	0.4
591.20599	2.0
625.38428	0.8
626.25018	0.6
626.39398	1.5
627.27313	1.7
627.37750	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.21
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
69.95070	0.6
69.95486	1.3
73.02885	1.2
92.70339	0.3
94.97901	0.3
97.95967	0.3
104.70216	0.3
110.73540	0.3
130.51549	0.3
167.26845	0.3
261.03851	0.3
437.12650	1.2
438.13229	1.8
439.14072	0.5
450.12967	0.8
451.13925	2.2
452.15015	4.9
453.15228	1.3
454.12891	0.4
465.11197	0.4
465.16357	0.6
466.16904	0.7
470.16177	0.4
479.17056	0.9
480.14191	0.5
481.14975	9.9
481.21002	0.5
482.15320	2.5
484.13550	0.7
492.65387	0.3
493.15408	1.6
494.16071	0.7
495.16772	17.4
496.17172	4.3
507.16318	1.6
508.18063	1.7
509.18219	2.0
512.13568	1.2
513.14172	0.5
518.16132	0.6
521.14789	1.0
522.14899	0.7
523.19336	1.2
524.17023	0.4
526.15320	1.3
527.15448	0.4
533.18427	0.9
535.15985	2.0
536.16943	3.1
537.17468	0.9
539.15430	1.5
540.16785	3.7
541.16632	0.7
551.19403	44.4
552.19635	10.9
553.17188	0.5
554.16815	1.1
555.18744	1.5
567.18860	0.8
568.16125	1.4
572.15521	3.5
573.15558	0.7
586.16992	2.9
587.17633	0.7
595.18237	8.9
596.18658	2.2
600.18732	0.4
627.20953	100.0
628.21185	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91732	0.9
57.03322	1.1
57.14852	1.0
59.01253	76.0
60.01580	1.4
61.98700	3.4
65.24000	1.0
69.54794	1.1
71.01253	9.8
72.98793	1.1
72.99179	2.6
73.02831	3.4
75.00750	4.4
83.01240	1.1
85.02848	3.3
87.00739	1.2
87.06680	1.0
89.02332	3.5
92.70641	1.3
93.03339	2.3
95.01270	1.3
99.00771	2.0
101.02313	6.0
105.03383	1.1
109.02889	1.0
111.82465	0.9
113.02328	4.9
119.03394	1.4
119.04934	1.3
121.02828	3.2
122.03641	7.9
125.02326	1.0
133.02859	1.6
135.04427	2.9
137.02338	2.3
145.02847	1.4
149.02351	24.9
150.03134	57.0
151.03545	2.2
152.01057	1.9
161.02359	9.1
161.04439	1.6
162.02786	1.1
163.03911	1.5
164.04704	9.9
165.05484	84.9
166.05829	4.6
167.68001	1.2
175.07611	1.9
176.04756	4.0
179.03432	15.0
180.04170	7.3
185.11855	1.1
191.07011	1.6
194.05782	15.3
195.06557	100.0
196.06923	5.8
209.08139	43.8
210.08438	2.3
211.13316	1.1
229.14258	2.0
237.50601	1.0
342.11035	7.7
343.11365	1.2
357.13416	44.9
358.13748	4.7
391.19449	1.4
405.15540	25.6
406.15997	3.4
495.24841	2.5
567.26379	1.3
627.24878	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	627.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.9
61.98694	0.7
65.03813	0.4
71.01252	4.5
71.53242	0.5
72.99166	0.7
73.02820	1.0
83.01243	0.6
85.02829	1.7
87.00740	0.5
87.90736	0.3
89.02320	2.2
93.03333	77.1
94.03665	2.5
99.00769	0.8
101.02325	3.2
111.00762	0.4
113.02332	2.4
117.03375	0.3
119.03397	0.9
122.34627	0.4
122.74096	0.3
125.02335	0.6
135.04367	0.7
137.02339	100.0
138.02679	3.5
145.02863	2.4
151.03923	0.5
152.99557	0.4
157.60054	0.4
157.96938	0.3
161.02364	0.9
161.04430	0.9
163.03989	0.6
164.98535	0.4
179.03485	0.8
179.05482	0.5
241.05061	0.8
271.09653	0.6
285.04010	0.9
307.08249	1.3
327.14508	1.5
345.15533	10.0
346.15778	0.9
351.05923	0.4
369.15448	0.6
387.16916	0.6
411.16272	0.5
446.24814	0.9
447.25848	5.7
448.26355	0.6
465.18124	0.5
465.27072	0.6
489.19485	1.8
626.31268	0.4
627.22968	5.1
627.32434	4.5
628.23694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01788	0.2
57.03331	0.2
59.01247	1.8
61.98703	1.7
62.66539	0.1
63.99133	0.2
65.03818	0.8
69.16674	0.9
69.17092	0.6
71.01255	2.7
72.99183	0.2
73.02823	0.4
78.98472	0.5
79.95603	1.7
80.96394	7.4
81.47213	0.2
83.01267	0.3
85.02834	1.2
87.00764	0.6
89.02322	0.8
93.03336	52.8
94.03674	1.7
94.97962	1.6
95.01286	0.2
96.95872	0.2
97.02833	0.3
99.00764	0.2
101.02329	1.2
106.98011	0.2
108.02055	0.3
111.04377	0.2
113.02330	0.9
117.03314	0.2
118.08735	0.2
119.03466	0.2
119.04909	1.1
122.97479	0.8
124.47267	0.2
125.02315	0.4
133.02867	0.8
134.97476	0.5
135.04384	1.1
137.02345	100.0
138.02679	4.0
145.02859	1.7
148.99014	0.6
152.98532	0.8
154.09779	0.1
161.02348	1.7
161.04346	0.2
162.02640	0.2
163.03906	0.8
164.98557	1.0
179.03444	0.6
206.99474	0.2
225.00703	2.4
236.63257	0.2
243.01904	0.2
286.06702	0.2
299.04422	0.3
307.08057	0.2
319.08295	0.3
345.15598	0.5
627.26697	12.9
628.26770	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	627.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15633	0.1
50.29585	0.1
57.03320	0.1
59.01247	1.3
61.98713	0.5
65.03856	0.2
69.73663	0.1
71.01252	1.2
72.99193	0.2
73.02827	0.2
79.95604	0.2
80.96383	0.7
81.03346	0.3
83.01251	0.2
85.02814	0.4
86.04038	0.1
87.00780	0.2
88.98679	0.2
89.02320	0.4
91.01793	0.1
93.03343	0.6
94.97983	0.3
95.01300	0.2
96.95904	0.1
101.02348	0.6
108.02059	0.9
109.02839	1.0
111.00770	0.2
113.02304	0.7
117.03324	0.1
119.01283	0.3
119.03355	0.1
119.04936	0.2
123.04408	0.1
125.02354	0.2
133.02824	0.5
134.97534	0.1
135.04408	0.7
136.01558	2.1
136.02554	0.1
137.02345	100.0
138.02676	3.5
139.00262	0.3
143.03409	0.1
145.02835	0.5
151.03917	0.1
152.98508	0.2
153.05521	0.1
161.02365	0.9
161.04411	0.2
163.03914	0.2
164.98537	0.2
165.09108	0.1
165.98801	0.1
179.03416	0.5
202.25269	0.1
204.07782	0.1
225.00655	0.2
281.06735	0.2
320.53262	0.1
345.15576	0.5
465.17511	0.1
627.22723	10.2
628.23175	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	627.2687
Annotation	Elliptifoline
Peak:m/z	Relative Intensity
57.03323	0.8
58.21651	0.5
59.00991	0.6
59.01244	5.5
59.70337	0.4
61.98711	3.0
62.57145	0.4
63.96088	1.3
69.03300	0.6
70.10862	0.4
71.00903	0.7
71.01253	9.4
71.29944	0.4
72.99178	0.8
73.02802	1.3
73.46233	0.4
75.00750	0.6
78.98467	4.2
79.95192	0.7
79.95612	11.1
80.96390	48.1
81.03307	1.1
83.01233	1.3
85.02824	4.5
87.00748	3.4
88.98734	0.4
89.02304	2.0
93.03339	4.0
94.97397	0.8
94.97961	12.1
95.01216	1.1
96.95849	1.3
97.02807	1.2
99.00725	1.1
99.04376	0.5
99.13425	0.4
100.10294	0.4
101.02320	5.3
104.17869	0.4
106.97932	2.0
110.02292	0.5
111.00735	0.6
113.02333	3.4
117.03366	1.0
119.03369	0.9
119.04885	1.2
121.02789	0.6
122.97466	2.7
123.04348	0.6
125.02323	2.9
127.03814	0.8
133.02853	2.4
134.97472	3.7
135.04411	2.2
136.99010	1.2
137.01411	0.6
137.02353	9.4
137.06000	0.5
145.02863	2.7
148.99062	4.0
152.98531	4.7
159.02945	0.4
161.01086	0.6
161.02356	7.8
161.04413	0.9
163.03873	1.0
164.98550	10.9
171.10144	0.7
175.03923	0.6
176.42111	0.4
177.01761	0.7
179.03302	1.7
191.50128	0.5
193.04973	0.5
206.99622	3.0
211.13327	0.8
225.00693	16.5
229.14458	0.6
229.76430	0.5
241.00047	0.5
299.04495	2.1
327.21500	0.9
341.05112	0.6
345.83331	0.5
385.07779	0.4
429.24429	0.7
431.26248	0.6
447.25351	1.3
466.10608	0.5
609.29724	0.6
627.26489	100.0
628.26868	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	627.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	5.8
57.03315	3.3
58.00447	2.7
59.01250	52.3
59.18700	0.6
61.98696	4.1
69.03323	0.9
71.01247	52.4
72.99182	4.3
73.02821	13.5
75.00726	2.0
83.01250	8.7
85.02301	0.7
85.02821	20.8
87.00758	3.2
89.02313	25.1
93.03333	1.4
93.22932	0.6
95.01250	3.9
97.02824	2.0
99.00757	9.0
101.02319	36.0
102.02691	1.1
110.99779	0.6
111.00008	0.7
111.00750	5.1
113.02325	21.6
119.03399	8.3
125.02297	2.1
129.01816	1.3
131.03435	1.3
133.02821	0.7
143.03395	2.0
159.02888	2.3
161.02293	2.1
161.04486	5.2
179.05542	1.2
182.13522	0.9
191.05460	0.8
288.61459	0.7
315.17969	1.1
333.19070	4.7
447.22415	4.5
465.23279	1.0
477.23129	0.9
495.24466	45.6
496.24860	6.0
627.28650	100.0
628.29095	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	627.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14638	0.5
55.01750	1.6
57.03315	1.8
58.00470	1.0
58.83066	0.4
59.01250	33.9
61.98710	3.0
69.03299	0.7
69.56225	0.4
71.01253	26.7
71.52438	0.6
71.75710	0.4
72.01601	0.5
72.99185	2.9
73.02821	7.7
75.00740	1.6
80.91845	0.5
80.96389	1.3
83.01265	5.2
85.02821	12.5
85.99955	0.9
86.03156	0.8
87.00742	2.2
89.02311	10.1
93.03339	3.6
95.01271	2.6
95.62946	0.5
96.95850	0.6
97.02811	1.1
99.00749	3.6
99.76738	0.4
101.02321	20.2
102.02650	0.7
108.02033	2.2
109.02834	0.8
111.00756	2.4
113.02332	11.4
117.03335	0.9
119.03399	2.6
119.04874	0.7
123.04414	0.7
125.02338	1.4
125.03445	0.8
126.02878	0.5
129.01843	0.7
129.09053	0.7
133.02856	2.8
134.03497	0.6
135.04456	4.2
137.02345	4.9
143.03389	0.7
145.02879	2.7
152.01019	2.6
159.02908	1.6
161.02356	6.4
161.04414	2.6
162.02672	1.5
163.04005	0.9
164.98625	0.6
179.03409	3.2
179.05516	0.9
184.64343	0.5
211.33110	0.6
225.00778	0.6
238.11075	0.5
271.09717	0.6
285.04059	1.0
285.20691	1.2
307.08255	1.3
347.46088	0.5
405.24982	1.6
419.27594	0.5
447.25992	28.6
448.26367	3.9
465.26871	2.4
567.30072	4.1
568.30487	0.9
579.19104	0.9
609.31165	3.1
610.32697	0.6
627.20746	4.6
627.32397	100.0
628.23651	0.7
628.32751	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	627.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48860	0.9
55.01740	2.8
57.03302	1.4
58.00452	2.2
59.01250	53.6
59.44152	1.0
69.45960	3.6
69.46355	1.7
71.01251	33.2
72.99167	2.7
73.02821	6.6
73.21157	1.1
83.01257	4.9
85.02834	12.9
87.00733	2.8
89.02316	18.7
93.03359	1.5
95.01244	3.6
95.82366	0.9
95.83855	1.0
98.20592	1.7
99.00751	3.1
101.01695	1.8
101.02318	21.3
108.02038	1.2
113.02332	12.2
119.03384	5.9
129.09087	0.9
137.02325	1.8
145.02917	2.0
179.05486	1.0
253.65100	1.0
447.25970	100.0
448.26224	12.2
609.41229	1.1
627.32318	54.7
628.32617	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	627.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.8
55.60347	0.4
55.73130	0.4
57.03315	1.9
58.00466	0.8
59.01251	27.8
61.98716	2.4
63.31332	0.4
66.35947	0.4
67.34245	0.3
69.03309	0.5
69.62430	2.6
70.55320	0.3
71.01252	26.5
72.99168	1.6
73.02818	6.5
75.00736	0.8
77.12698	0.4
80.96369	0.6
83.01260	4.8
85.02824	12.9
85.99951	0.6
86.03162	0.4
87.00739	2.0
88.98689	0.5
89.02321	9.0
93.03343	3.2
95.01262	2.9
96.95878	0.6
97.02820	0.8
98.20474	0.6
99.00762	3.0
101.02323	18.2
102.02663	0.4
105.70443	0.5
106.28811	0.4
109.02876	0.4
111.00753	0.8
112.01556	0.5
113.02332	12.2
117.03300	0.7
119.03403	2.9
119.04909	2.0
125.02336	1.2
129.01772	0.5
131.03360	0.7
133.02885	0.5
133.15181	0.4
135.04356	1.2
136.01569	0.5
137.02350	4.6
138.02629	0.4
143.03452	0.6
145.02841	1.5
152.01071	0.7
159.02908	0.9
161.02356	1.8
161.04457	3.2
163.03925	1.1
179.03403	1.3
243.19646	1.0
271.09692	0.5
303.21729	1.1
307.08054	0.7
316.44962	0.5
338.56073	0.5
345.15402	0.5
378.90009	0.5
405.24728	2.4
409.02213	0.4
447.26236	2.2
449.27115	0.4
465.27023	11.3
466.27420	1.1
514.10870	0.5
567.29962	2.3
609.31445	2.1
610.31604	0.7
627.32336	100.0
628.32715	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	629.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67188	0.2
59.01252	1.3
61.98706	1.4
71.01247	1.2
72.99168	0.2
73.02829	0.3
73.23915	0.1
78.98454	0.2
79.95621	0.2
80.96400	0.8
81.03362	0.3
82.95988	0.6
83.01274	0.3
85.02831	0.5
87.00771	0.2
89.02340	0.4
93.03321	1.4
94.03690	0.3
94.97979	0.2
95.01283	0.3
96.95890	0.2
96.97507	0.2
98.19777	0.4
99.00761	0.2
101.02318	0.9
108.02028	1.0
109.02859	0.6
113.02328	0.9
117.03365	0.3
119.01286	0.3
119.03451	0.2
119.04937	0.4
123.04333	0.2
133.02869	0.3
134.03632	0.2
135.04407	0.5
136.01561	1.8
137.02341	100.0
138.02667	4.3
139.02834	0.2
145.02840	0.5
151.03899	0.2
161.02370	0.9
161.04407	0.3
163.03870	0.4
177.01831	0.2
179.03426	0.4
225.00647	0.2
227.00470	0.3
229.22815	0.1
281.06595	0.2
347.17120	0.4
421.40683	0.2
519.35059	0.2
629.24512	12.1
630.24872	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	629.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97474	0.2
59.01254	2.7
61.98701	1.4
65.03835	0.4
65.88048	0.3
69.33168	1.7
71.00895	0.4
71.01256	3.5
72.99183	0.6
73.02808	1.1
83.01260	1.5
85.02828	2.3
87.00760	0.5
89.02311	1.4
93.03333	92.3
94.03668	3.0
95.01256	0.9
96.38662	0.2
96.91359	0.2
98.19853	0.5
99.00753	2.3
101.02327	3.2
109.02837	0.9
113.02319	3.4
117.03340	0.2
119.03436	0.3
119.04928	0.5
121.02792	0.5
123.04387	0.6
125.02322	0.6
127.00269	0.6
130.20670	0.2
133.02850	3.7
134.03581	0.7
135.04402	4.4
136.01666	0.2
136.04721	0.3
137.02341	100.0
138.02679	3.7
139.03961	0.6
143.03430	0.3
145.02846	0.9
149.02347	1.3
150.03143	1.3
151.03882	0.8
161.02357	9.6
161.04376	1.6
162.02686	1.4
163.03889	0.6
165.01848	1.0
167.03481	0.3
175.04016	0.3
177.01823	0.8
178.02574	0.3
179.03418	5.1
180.04042	0.7
181.05043	0.4
191.03314	0.4
193.04982	0.4
195.06552	0.4
203.03462	0.3
208.03639	0.2
211.06018	0.3
223.06099	0.3
225.07573	0.4
285.03922	0.3
329.16022	3.8
347.17084	14.1
348.17453	1.5
389.18240	1.4
431.18823	0.3
443.19153	1.0
459.15244	0.3
469.13431	0.8
473.19791	0.3
491.21375	2.6
548.16339	0.3
569.31256	0.4
619.16321	0.5
621.18237	0.9
629.24438	8.2
630.24847	1.7
639.19177	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77142	0.6
55.01759	3.0
55.93006	0.5
56.44153	0.6
57.03309	2.2
58.00454	0.6
58.40106	0.6
59.00957	0.8
59.01250	14.6
61.98687	1.7
69.03340	0.7
69.66988	0.6
71.01254	25.5
71.52114	0.5
72.99171	2.3
73.02814	10.0
75.00740	1.6
83.01247	6.1
84.63089	0.7
85.02820	15.2
85.99964	0.9
87.00757	2.6
89.02315	5.2
95.01254	2.6
97.02837	1.0
99.00749	6.3
101.02323	21.8
102.02650	0.6
111.00772	5.7
113.02332	12.5
119.03333	0.8
121.02788	0.6
123.04393	1.1
125.02334	1.5
129.01802	1.7
129.92506	0.5
131.03348	0.7
133.02844	3.1
135.04437	5.3
137.02322	0.7
139.03993	0.6
141.01801	0.6
143.03426	1.5
149.02335	0.7
152.01065	0.6
153.05409	0.6
159.02866	2.9
161.02371	6.1
161.04469	4.6
162.02698	0.7
163.04013	0.7
163.55688	0.5
165.01880	0.6
165.03317	0.7
177.01825	1.0
179.03401	7.5
185.12108	0.5
199.83063	0.6
269.04507	0.5
274.78491	0.5
285.03903	1.3
297.04004	0.6
331.73346	0.7
335.20749	7.2
336.20792	0.6
337.64679	0.6
451.31070	0.5
461.16492	2.7
467.25247	0.7
479.24789	0.9
497.26071	33.3
498.26407	5.3
548.67023	0.7
629.30261	100.0
630.30688	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	629.3335
Annotation	3-hydroxy-4-methyl-anthranilate pentapeptide lactone
Peak:m/z	Relative Intensity
54.69579	0.5
55.01758	0.7
57.03312	1.0
58.00456	0.8
59.01253	21.8
60.99177	0.9
61.55691	0.5
61.98700	6.2
71.01256	16.3
71.51116	0.7
72.95228	0.4
72.99200	2.2
73.02811	2.4
75.00739	0.7
77.94740	0.4
78.95777	2.4
79.95615	0.6
80.96381	1.2
82.65704	0.4
82.89629	0.5
83.01261	2.0
85.02825	5.2
87.00750	1.1
89.02323	11.9
95.01264	1.1
96.95898	4.2
96.96831	0.8
97.02834	0.6
99.00749	1.3
101.02323	11.5
108.02055	0.8
111.00791	0.5
112.17673	0.4
113.02330	8.7
117.03322	0.6
119.03384	4.8
119.04890	0.7
121.02902	0.8
125.02345	0.6
129.01738	0.5
133.02846	1.1
135.04399	2.3
135.08017	0.7
136.05206	0.7
137.02264	0.5
145.02861	4.1
151.07553	1.9
152.99504	0.7
161.02344	1.3
161.04449	0.8
163.03905	0.5
179.03401	1.8
183.10059	0.5
209.11749	1.3
223.13342	1.3
233.11890	0.6
238.91183	0.5
386.29871	0.5
475.29074	0.6
611.31537	0.5
629.33154	100.0
630.33698	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.8
59.01250	5.9
61.98702	3.1
67.83617	0.3
71.01252	6.2
71.51350	0.5
72.99181	0.6
73.02835	0.9
75.14086	0.3
78.95783	0.5
79.95630	0.3
80.96400	1.2
83.01254	0.7
85.02821	5.0
87.00765	0.6
87.85012	0.3
89.02307	3.2
93.03336	0.3
95.01267	1.9
96.95872	0.4
97.92962	0.3
99.00787	0.6
101.02326	2.3
105.03341	0.8
106.28429	0.4
109.02839	0.4
111.00784	0.3
112.73644	0.3
113.02331	8.5
117.03368	1.8
119.03391	0.9
123.04411	0.5
128.03477	0.4
132.02057	1.7
133.02847	32.2
134.03122	1.6
135.04425	5.0
135.08051	0.8
137.02344	1.4
145.02863	1.4
150.03062	0.6
151.07527	0.4
152.01125	0.3
160.07607	0.5
161.02350	100.0
162.02687	5.6
163.03943	0.9
175.02281	0.4
179.03366	2.0
180.03757	0.3
200.03470	0.8
209.11794	0.4
260.37872	0.3
317.33545	0.3
322.13092	0.5
327.34982	0.3
357.31210	0.3
364.55997	0.4
468.18655	1.7
469.18805	0.4
592.21021	1.8
629.27631	0.3
630.21729	36.4
631.21930	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	630.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64363	0.1
57.03288	0.1
59.01253	0.7
61.98706	100.0
62.98410	0.2
71.01254	1.2
72.99178	0.3
73.02812	0.3
79.83852	0.1
83.01240	0.1
85.02835	0.9
87.00795	0.2
89.02330	0.4
95.01264	0.2
96.95907	0.2
99.00771	0.4
101.02336	0.7
109.02858	0.4
113.02341	1.5
119.04935	0.1
121.02890	0.3
123.04436	0.5
125.37567	0.2
126.25327	0.1
129.42201	0.1
132.02068	0.2
132.21341	0.1
133.02864	2.0
134.03635	0.2
135.04440	2.4
136.04741	0.4
137.02351	1.2
139.03947	0.6
145.02887	0.2
149.02362	0.5
150.03152	0.7
151.00250	0.1
151.03914	0.4
153.05528	0.3
161.02354	4.8
161.04514	0.3
162.02730	0.6
165.01855	1.0
165.05482	0.2
166.02393	0.6
167.03131	0.2
175.02544	0.2
175.03958	0.2
177.01854	0.3
178.02647	0.4
179.03430	2.8
180.04024	0.9
181.04916	0.9
182.05394	0.2
193.01270	0.1
193.05051	0.2
194.05356	0.1
195.06558	0.8
196.06946	0.3
208.03636	0.2
212.06342	0.1
222.05428	0.2
223.06108	0.5
224.06546	0.3
225.07651	0.7
226.08000	0.3
241.07208	0.3
255.02925	0.2
285.04208	0.3
347.17270	0.3
351.05670	0.2
367.35538	0.1
379.27814	0.2
402.04639	0.2
439.51917	0.1
469.13638	0.3
558.22748	0.2
567.30798	0.2
570.32550	0.2
621.18542	0.3
622.19617	0.2
623.20203	0.3
624.21399	0.2
630.25378	0.4
631.25598	0.2
640.97729	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	631.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90767	3.2
59.01236	8.2
78.95766	22.4
96.39036	3.3
97.02827	4.7
98.20558	7.3
109.06483	46.5
110.98414	22.7
114.39951	3.2
123.39734	3.5
135.08080	6.4
142.02612	7.2
163.11223	19.3
167.01054	10.8
181.12244	5.9
203.09311	3.6
207.10194	89.8
208.10635	4.4
225.11290	85.1
226.11664	5.2
248.82602	3.2
255.23257	100.0
256.23608	8.6
300.45663	3.4
375.12076	4.5
423.25198	10.7
631.36273	49.0
632.36340	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	631.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65038	1.9
59.01236	6.9
60.10592	1.7
61.36139	2.1
62.51655	1.7
67.45633	2.2
69.80799	9.3
78.95772	24.0
79.25001	1.9
81.03319	3.8
83.04916	2.6
97.02839	6.9
104.55196	1.8
107.04913	1.8
109.06478	39.2
110.03625	1.9
110.98423	19.5
135.07991	4.4
136.51917	1.8
142.02586	4.5
161.09729	3.0
163.11191	19.0
167.01064	13.5
175.01338	2.0
181.12257	8.0
207.10199	86.1
208.10535	4.3
223.95326	1.8
225.11273	89.3
226.11661	6.8
249.11691	1.9
255.23270	100.0
256.23499	9.4
375.12140	8.2
393.13498	2.3
423.25162	18.1
461.40506	2.0
631.36169	60.7
632.36804	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	631.3637
Annotation	Myriceric acid A
Peak:m/z	Relative Intensity
53.46294	0.4
61.98698	2.8
63.41722	0.5
65.75243	0.5
71.04952	0.5
71.44101	0.9
76.02523	0.5
76.48771	0.5
78.95786	1.4
80.32246	0.4
89.03804	0.6
114.79031	0.5
117.03343	31.7
118.03698	1.1
119.04908	15.3
120.05324	0.5
120.59000	0.4
121.02841	1.6
145.02850	100.0
146.03183	4.8
155.94559	0.6
163.03926	9.2
163.05206	0.9
164.04193	1.0
179.03311	0.6
233.47031	0.6
424.26117	0.6
587.37372	78.5
588.28436	1.0
588.37744	16.8
631.36212	11.1
632.36517	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	631.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86296	0.4
59.01263	0.5
61.98703	1.6
66.96300	0.4
71.51596	0.7
75.00755	0.5
78.95782	1.2
83.04904	5.4
116.92772	1.5
117.03352	31.9
118.03735	1.1
119.04920	14.7
120.05241	0.8
121.02845	1.9
123.04412	1.0
133.02821	0.8
145.02859	100.0
146.03209	4.1
146.42253	0.5
162.03194	0.7
163.02554	0.6
163.03922	10.2
176.83934	0.5
503.31732	1.3
550.84863	0.4
569.36383	6.6
570.36908	0.9
587.37408	8.5
588.37671	1.8
613.35364	2.1
631.36420	90.3
632.36737	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	631.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85728	0.6
59.01255	0.8
61.98706	1.2
65.14208	0.6
69.43688	2.8
69.44095	1.0
78.95793	0.7
83.04890	5.6
117.03352	30.5
118.03674	0.7
119.04916	17.7
120.05190	0.5
121.02837	1.8
126.38541	0.6
128.40714	0.6
139.17596	0.5
145.02859	100.0
146.03194	4.3
146.77115	0.5
152.99460	1.0
163.03926	11.1
168.47122	0.5
179.33128	0.5
503.31467	1.1
504.32156	0.8
569.36230	5.0
570.36499	1.0
587.37476	8.1
588.37836	1.5
613.35620	3.0
614.36011	0.8
631.36401	90.7
632.36700	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	632.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.6
59.01252	8.2
61.98701	46.5
71.01255	7.7
71.20161	0.3
72.99189	0.4
73.02804	0.8
75.29459	0.4
83.01247	0.6
85.02820	4.5
85.03987	0.4
87.00742	0.4
88.54636	0.5
89.02316	5.4
95.01233	1.1
96.62032	0.3
99.00780	0.4
101.02327	3.5
105.03380	0.5
113.02335	8.3
117.03359	1.4
119.03383	1.8
119.04929	0.4
119.38808	0.4
120.05693	0.8
122.71749	0.3
132.02084	1.4
133.02850	27.6
134.03230	0.7
135.04422	4.7
135.08041	2.4
137.02351	0.5
141.71268	0.4
143.03349	0.9
145.02837	0.8
160.01558	0.4
161.02350	100.0
162.02678	4.3
179.03426	2.0
179.05516	0.6
217.12694	0.4
291.19577	0.5
453.24866	1.7
471.30814	0.7
477.30801	1.1
478.31137	0.7
569.22375	67.5
570.22711	11.6
631.40796	0.6
633.31097	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	632.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.6
61.04681	0.1
61.98705	100.0
69.50394	1.0
71.01258	0.7
79.94347	0.1
83.01267	0.3
85.02845	0.5
89.02310	0.2
93.03353	0.2
93.51352	0.1
99.00733	0.2
101.02332	0.4
113.02341	0.5
117.03348	0.9
118.68671	0.2
119.04927	4.3
119.05736	0.3
121.02864	0.2
133.02879	1.2
133.06306	0.1
134.03438	0.2
135.04433	2.2
136.04816	0.2
137.02361	0.3
145.02861	4.6
153.26154	0.2
161.02357	2.9
161.04527	0.2
161.05984	0.3
162.02785	0.3
163.03926	2.9
175.03996	0.2
179.03418	3.0
179.04913	0.2
180.03737	0.3
203.07278	0.2
307.08228	2.9
368.16898	0.2
471.12964	3.5
594.86798	0.2
607.18591	0.2
623.20264	0.2
632.20984	0.2
633.28070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.9
58.00465	0.4
59.01252	9.9
59.37948	0.3
61.98706	3.1
68.99699	0.6
71.01256	8.1
71.52504	0.3
72.99179	0.8
73.02795	1.9
81.03304	0.4
83.01249	0.9
85.02830	3.2
87.00759	0.6
89.02325	2.7
89.34309	0.3
91.01765	0.7
93.03340	4.6
95.01266	0.6
95.04907	0.4
96.95866	0.6
97.02863	0.6
99.00755	46.3
100.01075	0.9
101.02314	3.6
105.03315	0.4
107.04903	2.4
108.02051	1.3
109.02828	2.3
113.02344	3.0
117.01835	0.5
117.03332	1.0
119.01314	0.5
119.03407	1.1
119.04887	2.8
121.02851	10.5
123.04419	5.1
125.02361	0.7
133.02853	3.1
134.03624	1.1
135.04385	1.9
135.08046	0.5
135.72246	0.3
137.02325	1.5
143.03433	0.7
145.02850	3.7
146.03647	0.7
149.02348	9.5
149.04353	0.5
150.03102	1.6
151.03920	7.5
161.02351	2.9
161.04457	2.8
161.05946	1.2
162.03012	1.0
163.03917	4.5
163.07545	0.5
165.01836	3.6
171.10147	0.4
175.03934	0.4
177.01849	3.1
178.02444	0.5
179.03418	100.0
180.03731	4.4
191.03433	3.5
193.04965	0.6
195.03018	0.4
209.04494	50.3
210.04852	2.8
221.06557	0.4
225.91679	0.3
230.05629	0.3
248.82228	0.3
285.03836	0.4
291.19836	0.4
371.07025	0.6
371.11337	8.0
372.11670	1.1
471.12656	0.5
471.26187	0.6
478.31531	0.4
510.03699	0.4
550.08972	0.4
566.44751	0.3
597.35175	0.5
633.31757	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	633.1828
Annotation	Lapathoside D
Peak:m/z	Relative Intensity
55.01765	0.9
57.03334	0.7
58.40382	0.4
59.01245	3.8
61.98702	100.0
67.19167	0.4
71.00853	1.3
71.01242	6.7
72.99190	0.5
73.02816	3.7
75.00736	0.8
83.01257	7.3
85.02821	2.5
87.00756	0.7
89.02297	2.5
90.09032	0.4
93.03336	0.6
95.01270	0.7
96.95900	1.2
99.00768	3.2
101.02324	8.6
113.02351	3.4
117.03355	10.8
119.04917	71.9
120.05212	2.3
121.02876	0.6
125.50441	0.5
127.00272	2.4
133.02861	0.9
133.06496	0.7
134.03613	0.6
135.04405	1.5
143.03448	0.6
143.54556	0.5
145.02858	61.2
146.03195	2.4
149.06030	0.6
161.02315	1.3
161.04498	1.2
161.05989	2.2
163.03922	42.6
164.04239	2.0
179.03395	1.1
187.03922	1.5
205.05061	1.6
247.06039	0.6
307.08224	33.7
308.08508	2.5
325.09225	0.6
373.22241	0.6
471.12958	53.9
472.13220	7.4
505.26611	2.2
513.14386	0.8
633.27686	23.6
634.27618	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	633.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29644	0.3
54.81749	0.2
55.01767	0.2
57.03311	0.5
58.00471	0.4
59.01251	100.0
60.01602	1.2
61.98701	1.7
71.01254	10.8
71.51289	0.3
72.99191	0.4
73.02820	9.5
74.03205	0.2
75.00755	0.4
83.01260	3.5
83.04878	0.2
85.02819	2.3
87.00757	0.8
89.02319	3.6
95.01298	0.8
96.95904	0.4
97.02821	0.2
99.00773	0.7
101.02325	11.9
111.00804	0.3
113.02327	5.3
119.03416	1.5
119.04926	0.4
120.05757	0.3
125.02340	0.6
125.09668	0.2
131.03392	1.4
133.02853	0.8
134.03671	0.3
135.04430	0.6
135.08034	1.6
136.08385	0.5
137.02385	0.4
143.03404	1.5
145.02890	1.1
149.04466	1.5
155.03377	0.4
161.02383	2.1
161.04451	4.0
163.03929	0.3
167.03326	0.2
171.10176	1.1
175.03983	0.4
177.01909	0.3
178.02669	0.2
179.03464	0.5
179.05602	0.3
191.10783	0.3
203.05577	0.7
209.11885	0.3
219.06712	0.8
221.06728	1.4
227.12788	0.3
233.11865	0.4
291.19696	0.3
307.93811	0.2
351.08984	0.3
385.13055	0.8
453.24887	0.3
460.24805	0.3
461.40503	0.2
471.26169	0.5
477.30957	0.4
478.31375	0.9
487.14679	0.3
595.33588	0.3
629.95068	0.3
632.41382	1.0
633.20801	0.3
633.31152	5.9
634.31989	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.1
57.03340	1.7
58.00468	4.2
59.01252	57.8
61.98708	5.8
70.42588	2.3
71.01255	39.4
71.04914	1.1
72.01601	0.7
72.99181	4.8
73.02834	2.9
75.00763	1.9
78.95796	1.3
83.01283	2.9
85.02821	9.0
86.70288	0.7
87.00776	2.7
89.02317	35.6
95.01279	3.8
97.02858	1.1
99.00736	1.2
101.02324	25.3
113.02332	16.4
119.03400	13.3
119.04874	1.4
125.02436	0.9
131.03432	2.1
133.02847	1.8
134.03688	0.8
137.02345	0.9
140.55240	0.8
143.03421	2.1
145.02914	2.3
160.01549	1.3
161.02383	6.5
161.04474	2.8
163.03891	1.5
164.29739	0.7
171.10254	1.0
175.03902	1.8
179.05511	6.1
206.81779	0.7
208.05037	0.7
229.19695	1.3
251.99294	0.8
273.18567	9.6
274.19073	1.2
315.41669	0.8
371.09909	0.8
453.24915	100.0
453.29553	3.7
454.25287	13.0
471.25366	0.9
471.31198	12.9
472.31421	2.0
503.75702	0.9
530.50269	0.9
633.31226	46.7
634.31689	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	633.313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15042	0.6
55.01770	1.4
57.03336	2.2
58.00479	2.3
59.01254	53.2
61.98706	15.9
61.99012	1.1
69.03338	0.6
69.17036	6.5
71.01257	35.4
72.99175	3.2
73.02812	3.7
75.00763	1.0
78.95820	0.9
80.02573	0.6
83.01291	2.7
85.02823	10.5
85.03297	0.9
87.00787	2.7
89.02318	25.3
89.65051	0.6
93.03324	1.1
95.01260	3.7
95.04929	0.6
95.30987	0.6
96.95904	0.7
98.86201	0.7
99.00778	1.8
100.16183	0.6
101.02326	20.5
106.31265	0.6
111.00733	0.6
111.08037	1.6
112.84412	0.6
113.02335	13.6
117.03346	1.2
119.03398	9.9
119.04913	1.2
125.02374	1.0
129.01855	0.8
131.03427	1.4
133.02884	1.3
135.04489	1.2
135.08028	1.4
137.02383	0.9
145.02831	3.8
161.02328	3.2
161.04489	2.5
163.03905	1.4
167.97337	0.6
171.10201	4.1
177.12756	0.7
179.03448	1.9
179.05568	2.1
183.06546	0.8
184.46826	0.6
202.45818	0.7
221.06709	0.8
247.20653	5.7
256.03162	0.6
273.18546	1.3
275.12653	0.6
285.03476	0.8
291.19724	1.0
295.11707	0.7
398.80475	0.6
423.18564	0.7
438.03754	0.7
453.24933	100.0
454.25256	12.6
471.31070	1.5
509.61041	0.7
633.31268	47.2
634.31451	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	633.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.5
78.95776	16.7
80.02549	1.9
81.03352	2.1
83.04894	6.7
83.47195	0.4
84.02036	1.9
91.36124	0.4
93.47863	0.5
95.04908	1.0
98.19752	0.8
98.77370	0.4
107.53075	0.4
109.06459	1.5
110.98411	15.0
115.64499	0.5
125.05964	0.6
135.08038	1.1
151.63730	0.5
163.11179	6.4
164.11600	0.7
165.12788	3.7
167.01064	6.8
169.58369	0.5
170.20085	0.5
181.12318	1.1
185.02118	0.6
191.10735	1.5
197.11783	0.7
199.13356	0.8
207.10069	1.0
208.10620	0.7
209.11772	100.0
210.12082	7.1
224.26428	0.5
225.11168	1.1
226.11617	1.0
227.12859	22.3
228.13144	1.7
255.23268	73.0
256.23633	8.2
257.23837	1.0
324.42776	0.5
347.84366	0.5
377.13745	1.7
391.98264	0.5
395.14780	0.9
405.23956	0.8
423.25064	7.4
424.25482	1.3
633.37695	47.2
634.38098	10.2
652.13782	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3797
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
61.98690	0.7
67.12127	0.3
78.95754	0.7
79.04355	0.3
93.29794	0.3
98.74694	0.3
117.03350	26.5
118.03664	0.9
119.04920	7.6
120.05196	0.4
121.02837	1.7
123.04392	0.4
133.02818	0.4
145.02855	100.0
146.03185	3.8
157.39546	0.3
162.03142	0.7
163.03914	3.4
171.10146	1.3
199.00816	0.3
439.32385	0.5
471.34818	0.3
483.30908	0.5
559.37885	1.0
587.33441	0.4
589.38959	0.8
592.43164	0.3
603.36896	33.5
604.37384	5.8
633.37952	74.9
634.38306	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	633.3794
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
66.82961	0.4
70.42049	1.4
72.05840	0.4
74.33177	0.4
77.43891	0.5
81.39574	0.4
84.84824	0.4
97.63855	0.4
104.61209	0.4
117.03347	25.0
118.03697	0.9
119.04913	9.6
120.05340	0.5
121.02856	1.3
142.79332	0.5
145.02855	79.0
146.03207	3.0
163.03931	7.4
283.18237	0.5
357.58725	0.5
435.84344	0.5
469.33060	0.9
589.39008	1.9
615.36829	1.4
633.37927	100.0
634.38269	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14273	0.2
59.01251	100.0
60.01594	0.8
72.24963	0.3
78.95776	8.8
80.09138	0.3
95.64258	0.2
96.96862	0.9
105.93099	0.2
115.62407	0.3
117.70322	0.2
149.31268	0.2
152.99496	8.6
176.13786	0.3
179.14294	0.3
181.12410	0.3
195.13832	0.5
197.11717	0.3
205.12253	0.5
223.13350	6.6
224.13759	0.5
225.11340	0.8
231.72975	0.3
293.21222	4.5
307.41232	0.3
361.11002	0.4
379.11578	2.7
397.12631	2.7
426.38181	0.3
466.40964	0.3
490.85446	0.3
492.78293	0.3
614.40265	0.4
633.37970	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4009
Annotation	UNII-3TG3M7GRP4
Peak:m/z	Relative Intensity
51.24532	0.2
59.01252	1.4
61.98703	1.2
65.14175	0.2
70.28128	0.4
70.28510	0.5
71.01251	1.1
73.02828	0.3
74.70547	0.2
78.95783	0.9
83.07023	0.2
84.77034	0.2
85.02810	0.7
89.02302	0.3
90.62225	0.2
97.40123	0.2
97.49535	0.2
99.00727	0.2
101.02312	1.5
107.49292	0.2
113.02319	0.5
117.03366	0.9
119.04922	0.3
131.81433	0.2
135.04332	0.2
145.02832	2.8
152.99464	0.2
160.01566	0.2
161.02272	0.4
163.03943	0.3
168.33270	0.2
175.03938	0.2
179.03487	0.2
203.75710	0.2
209.11899	0.2
242.27170	0.2
267.51166	0.2
471.34756	1.1
492.22113	0.2
555.60931	0.2
633.40033	100.0
634.40375	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	633.4006
Annotation	Kolokoside B
Peak:m/z	Relative Intensity
53.36263	0.7
54.30351	0.7
57.46754	0.7
58.67597	0.8
61.98693	3.1
71.01254	1.3
71.51935	1.2
73.04929	0.7
90.46924	0.6
92.76095	0.6
101.02309	1.6
101.31271	0.8
113.02353	1.5
117.03339	2.2
119.04897	0.8
130.19571	0.8
139.57347	0.7
142.73665	0.7
145.02864	7.9
161.04437	2.1
304.22513	0.9
471.34793	100.0
472.35040	17.7
633.29913	0.8
633.38336	10.9
634.38373	3.3
655.65527	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54424	0.7
58.45021	0.8
59.01255	1.0
61.98709	0.8
69.45245	3.7
70.47347	0.7
71.01241	0.9
78.95779	15.3
85.02816	0.8
96.96822	1.4
98.19821	1.6
152.99489	8.8
177.60950	0.7
201.11099	0.9
207.10254	0.9
219.55557	0.8
225.11273	1.2
255.23288	11.4
309.20322	0.8
379.11588	1.3
391.22598	3.7
403.33188	0.7
409.23770	2.1
416.22101	0.7
419.19052	1.1
430.13873	1.1
431.14157	1.5
431.19031	3.2
432.19122	1.1
433.20346	1.7
445.16919	2.5
458.17566	3.2
459.18359	1.3
473.15646	2.2
473.20416	2.5
474.16553	5.1
475.17511	2.7
487.17358	1.4
488.18372	5.3
489.19220	4.9
490.20142	6.2
501.19379	1.9
505.22610	4.4
530.19684	0.9
549.21356	2.0
559.23456	1.3
560.20612	2.1
575.23047	13.1
576.23682	8.2
577.24432	1.0
579.74231	0.9
603.22302	1.3
604.22845	0.9
617.34680	2.5
635.25165	100.0
635.35120	6.2
636.25378	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43733	0.8
55.15678	0.9
59.01251	100.0
60.01611	1.1
65.71606	0.9
69.57872	0.9
71.06579	2.0
74.72888	0.8
78.95313	1.7
78.95776	31.3
96.96861	1.4
109.53259	0.8
116.81368	0.9
138.41582	0.9
152.99481	15.8
171.10252	1.8
201.11385	0.9
223.13379	3.7
225.11337	3.1
255.23288	21.3
256.23700	1.6
295.22769	4.7
361.10535	1.8
367.78220	1.0
391.22711	6.6
409.23636	4.1
430.14185	1.4
431.19235	1.6
445.16821	2.8
455.35324	2.1
458.17477	1.5
473.16156	3.4
474.16550	6.9
475.17239	2.5
488.18280	5.1
489.19348	4.6
490.20078	2.8
501.19250	2.1
505.22348	2.7
516.17810	1.9
529.18439	1.6
548.20477	2.4
575.23047	10.9
576.23773	7.7
603.22772	2.2
617.34698	3.5
620.24457	1.0
635.25262	58.1
635.35913	9.7
636.25464	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	635.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.7
69.23773	3.4
98.20604	0.7
108.02099	0.4
112.30589	0.4
112.50764	0.4
113.87429	0.4
117.03352	16.7
119.04919	28.1
120.05267	1.1
121.02848	59.2
122.03168	2.1
135.04401	0.6
145.02859	70.6
146.03183	3.3
162.03210	0.8
163.03925	4.0
181.04971	0.5
342.41507	0.5
453.33978	4.2
454.34021	0.7
471.34845	1.1
497.32751	17.2
498.32962	3.3
573.39594	0.7
617.38470	100.0
618.38806	23.4
635.39520	10.9
636.39832	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	635.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03293	0.4
59.01255	7.3
61.98693	0.8
71.01272	0.3
71.04894	0.7
78.95770	0.6
93.03323	0.6
116.92738	1.0
117.03350	11.1
118.03625	0.8
119.04926	3.1
121.02828	1.0
121.06506	0.5
122.03146	0.3
133.02869	0.5
145.02858	37.6
146.03198	2.3
147.04399	1.0
154.28160	0.3
163.03923	0.6
165.05482	8.8
173.83868	0.3
221.63623	0.3
231.51949	0.3
268.20111	0.3
293.28934	0.3
423.32748	0.4
441.33981	0.6
451.32144	1.0
453.33801	0.5
469.33405	1.5
470.33887	0.5
471.34918	1.1
472.34702	0.5
487.34326	0.7
577.26831	0.5
617.38586	1.1
635.39490	100.0
636.39850	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	636.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.2
59.01255	4.3
64.01799	0.7
70.37582	1.5
71.01251	7.4
72.99185	3.8
73.02821	0.8
75.00736	2.4
75.51723	0.5
77.09206	0.5
83.01270	0.9
84.64804	0.5
85.02821	7.4
87.00755	1.3
89.02314	1.6
93.03333	0.5
95.01257	2.1
99.00764	1.8
101.02320	1.1
103.00227	1.4
105.03330	0.5
107.01233	0.8
107.04894	1.1
109.02920	0.5
113.02336	9.1
115.00261	1.0
117.01873	0.6
117.03420	0.5
120.04451	2.0
121.02827	1.0
133.02853	13.4
133.96158	0.4
134.03642	3.2
135.04413	63.0
136.04744	2.3
146.02382	1.3
148.03937	8.8
149.02373	0.6
149.04323	0.5
151.00266	0.9
161.02348	24.8
162.02676	1.0
175.02386	1.8
175.03830	1.0
179.03416	100.0
180.03763	4.3
193.03400	3.2
199.03947	0.5
203.03401	0.5
285.04047	27.5
325.09448	1.0
351.05676	21.6
357.05847	0.6
447.27386	0.5
487.14560	5.8
488.15384	0.8
511.88666	0.6
523.25494	0.4
619.43866	0.5
624.86835	0.5
636.19403	3.5
637.10303	5.6
637.18951	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	3.0
61.98704	100.0
62.49636	0.6
71.51637	1.2
71.52005	0.8
78.95774	6.9
84.37247	0.8
112.06418	0.8
152.99452	5.4
194.16124	0.7
209.11729	1.8
211.17604	0.7
255.23235	3.8
296.64322	0.8
456.35583	1.1
605.24347	1.7
637.36688	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1044
Annotation	6-Hydroxyapigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
52.49144	0.5
57.03317	1.6
59.01246	7.0
63.02246	0.6
68.99683	0.6
69.03326	0.5
70.84585	1.3
71.01253	17.5
72.99182	11.7
73.02819	2.6
75.00745	8.0
83.01260	2.2
85.02822	16.2
87.00743	4.1
89.02306	2.8
95.01266	3.5
99.00752	5.3
101.02336	2.4
103.00234	4.4
107.01265	1.4
113.02329	22.4
115.00269	2.4
117.01807	1.4
121.02858	0.6
129.01828	1.2
129.47536	0.5
131.03398	1.8
133.01320	3.2
133.02831	4.8
149.02354	0.9
151.00270	3.2
157.01308	1.1
175.02383	4.9
175.03944	2.1
193.03467	12.2
199.03940	2.2
217.05058	1.6
235.04546	1.7
241.04906	1.1
243.03021	0.7
252.00882	0.5
269.52606	0.5
271.87082	0.4
284.03174	0.7
285.04041	100.0
286.04391	8.2
289.05673	1.3
295.10330	2.2
327.05045	3.0
333.04648	1.9
351.05676	80.6
352.05948	5.2
355.04263	0.7
357.05991	1.3
381.05817	0.7
461.07483	0.9
637.10449	27.7
638.10681	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	637.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.1
57.03283	1.6
59.01253	13.7
65.00196	0.9
69.42821	5.9
71.01253	23.5
72.99178	16.5
73.02824	2.5
75.00733	8.6
83.01255	3.1
85.02821	18.5
87.00772	4.7
89.02316	6.9
95.01257	5.4
98.19803	1.7
99.00739	7.2
101.02347	5.0
103.00255	4.6
106.08688	1.0
107.01266	1.8
109.67025	1.1
113.02328	25.5
115.00266	9.8
125.30394	0.9
129.01808	1.5
131.03419	2.6
133.01331	16.9
133.02824	7.3
133.04970	4.0
149.02382	2.0
151.00284	3.9
157.01314	1.4
158.12285	1.0
175.02385	5.6
175.03938	2.5
193.03474	10.2
196.21321	1.0
199.04031	1.8
243.02994	1.4
285.04034	100.0
286.04404	8.9
289.05600	2.0
295.10413	13.0
327.05093	2.2
351.05664	59.6
352.06052	3.7
357.05966	1.5
408.36404	1.1
430.57434	1.1
469.48090	1.0
637.10394	17.4
638.10907	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	637.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.0
57.03318	2.2
59.01251	16.2
63.83198	0.6
64.13474	0.5
65.00211	1.1
67.01745	0.9
68.99670	0.9
69.03345	1.1
71.01256	30.2
71.29661	1.1
72.01569	0.7
72.99178	22.8
73.02821	4.4
75.00319	0.7
75.00742	14.6
83.01250	3.7
85.02822	30.2
86.03146	0.8
87.00756	7.5
89.02324	6.4
95.01259	7.0
97.02763	0.9
99.00162	1.1
99.00755	12.2
101.02312	5.6
103.00253	6.9
107.01229	0.9
109.02834	0.9
111.00757	1.2
113.02332	42.3
114.02658	0.9
115.00278	3.4
117.01819	2.2
117.03349	0.8
119.04919	0.9
125.02384	0.7
129.01855	1.8
131.03407	3.9
133.01303	1.7
133.02855	5.2
135.04390	0.9
139.00325	0.9
145.02840	1.1
149.02391	1.3
151.00328	3.5
157.01305	1.5
159.02971	0.6
161.02341	1.3
163.02377	0.6
165.01843	1.1
175.02396	7.2
175.03911	1.5
179.03517	0.9
183.03931	0.5
185.06070	0.8
187.03992	1.0
191.94565	0.6
193.03464	19.4
194.03839	1.1
199.03899	1.3
211.03961	0.7
213.05542	1.9
229.05028	0.9
235.04588	1.9
239.03484	0.9
241.05014	1.5
256.03427	0.7
257.04422	1.8
267.02902	0.8
269.04581	0.9
283.02597	0.9
284.03284	1.9
285.04034	100.0
286.04364	8.5
289.05719	2.6
327.05063	2.2
333.04572	1.4
351.05673	69.6
352.06021	5.7
414.17441	0.6
468.22852	0.6
475.13843	1.0
637.10144	9.9
638.11096	2.6
641.60431	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1045
Annotation	6-Hydroxyapigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
52.81606	0.3
53.29689	0.3
55.01766	0.5
57.03311	1.8
59.01254	8.3
64.18350	0.4
65.00226	0.5
67.01750	0.4
69.03337	0.7
69.18047	3.0
71.01255	15.5
72.99183	12.2
73.02820	3.1
75.00317	0.5
75.00746	8.6
80.71431	0.3
83.01273	2.7
85.02825	15.0
87.00749	4.0
89.02314	3.2
95.01271	3.9
97.02840	0.4
97.55674	0.3
99.00757	6.5
101.02333	2.0
103.00258	4.1
107.01273	1.5
111.00758	0.7
113.02332	23.7
114.02657	0.6
115.00270	2.0
117.01840	1.0
129.01825	1.0
131.03387	1.9
133.01317	1.0
133.02827	5.4
138.04927	0.3
149.02365	0.6
151.00267	2.8
157.01341	1.4
163.02402	0.4
175.02396	4.6
175.03918	1.3
176.28027	0.4
193.03467	11.0
194.03885	0.4
199.03899	1.0
201.01881	0.7
217.05002	1.0
235.04575	1.6
241.04955	0.5
257.04526	0.6
263.04321	0.4
284.03281	0.8
285.04037	100.0
286.04385	9.3
289.05685	1.8
297.03983	0.9
299.05563	0.6
327.04953	2.3
333.04633	1.8
351.05679	72.1
352.05975	5.0
357.06256	1.2
369.06137	0.5
381.06039	0.8
399.06931	0.5
410.38370	0.3
454.73764	0.4
461.07156	1.1
539.28632	0.4
637.10449	22.4
638.10779	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	637.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	3.1
57.05196	0.7
59.01253	16.7
61.98709	4.2
61.98971	0.8
63.02261	1.4
65.00206	4.2
67.01764	1.2
68.99673	1.0
69.03320	0.8
71.01253	34.4
71.52178	1.1
72.99184	13.3
73.02824	3.8
75.00739	9.2
75.39749	0.7
77.03837	0.8
83.01262	7.1
85.02826	24.0
87.00743	4.6
89.02317	11.0
93.03314	2.2
95.01258	6.8
97.02838	1.1
99.00760	8.6
101.02321	10.8
103.00228	3.1
105.03307	1.3
107.01264	3.0
107.04894	0.9
108.02054	1.3
109.02827	4.4
111.00738	1.3
113.02332	30.9
114.02669	1.0
115.00257	3.9
116.92715	0.8
117.01818	0.8
117.03319	2.1
119.03371	2.8
119.04887	2.3
121.02834	5.5
123.00722	1.4
123.04429	4.7
124.01517	1.0
125.02306	2.4
127.00247	0.9
129.01793	1.1
129.05318	0.8
131.03352	1.6
132.02049	2.5
133.01282	2.1
133.02841	26.0
134.03708	3.7
135.04416	40.3
136.01517	0.8
136.04745	4.1
136.98717	5.2
137.02330	3.9
139.00267	1.5
139.03911	1.2
143.03391	1.3
145.02853	5.3
147.04405	1.6
148.01526	1.0
149.02347	8.0
149.06017	1.0
150.03081	3.5
151.00291	6.4
151.03867	3.3
153.05502	0.7
153.71005	0.8
157.01350	1.1
159.02924	1.4
159.04379	1.1
160.01576	1.7
161.02350	40.0
161.04460	2.6
162.02684	3.5
163.03899	1.9
164.01126	0.9
165.01825	2.9
167.03387	2.3
170.82217	0.7
173.02483	0.9
175.02357	4.7
175.03897	4.2
177.01860	7.6
178.02570	0.9
178.99837	2.0
179.03419	48.3
179.05206	1.5
180.03767	4.4
191.07021	0.9
193.03481	7.3
193.05029	1.7
199.03870	3.8
200.04674	1.2
201.01878	2.2
202.02736	1.1
203.03452	1.3
211.03900	0.9
213.01854	0.9
215.03409	0.9
216.04143	1.3
217.04977	1.2
227.03406	2.5
228.04147	2.9
237.05835	0.9
240.04204	1.0
241.04988	2.5
242.05620	0.9
243.02898	2.5
255.03014	6.6
255.05719	1.1
256.03601	2.4
257.04535	1.9
263.03778	0.9
267.06589	2.1
271.02454	2.5
272.03287	2.1
283.02475	4.8
284.03174	3.0
285.04034	73.7
286.04276	7.0
287.05615	1.2
297.03937	1.2
299.02103	1.8
299.05429	2.3
300.02740	47.3
301.03000	4.3
303.07169	1.3
314.04358	1.1
315.05084	100.0
316.05444	6.6
318.90839	0.8
321.08319	6.1
327.05017	1.3
333.04666	0.9
337.09113	1.0
351.05667	52.4
352.05969	4.3
357.06152	1.7
358.10443	0.9
373.13040	1.8
378.11127	1.1
400.10846	2.7
400.61206	0.9
403.13693	1.0
433.15033	5.5
457.20581	1.1
475.14331	1.9
487.14618	2.3
503.11874	1.1
555.16608	0.8
555.67664	1.7
556.17413	1.1
577.28387	4.6
595.29828	1.2
621.18231	3.7
621.68640	1.2
623.18854	0.9
625.19745	0.9
636.68158	1.0
637.11658	14.5
637.28546	6.9
638.11865	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	637.1773
Annotation	Oxoverbascoside
Peak:m/z	Relative Intensity
56.88148	0.6
59.01252	2.5
63.48772	0.6
69.31152	4.5
71.01257	5.4
75.00758	1.0
85.02827	4.2
87.00742	0.7
88.56585	0.7
93.03338	2.1
95.01265	1.1
98.19830	1.3
99.00766	1.1
101.02332	1.0
101.40034	0.6
108.02042	1.1
109.02838	43.4
110.03197	1.4
113.02332	7.1
115.01888	0.7
121.02833	6.4
123.04413	8.7
129.01848	2.7
132.02121	1.5
132.13795	0.6
133.02849	39.2
134.03226	1.2
135.04399	6.9
137.02322	1.9
139.03902	5.0
149.02356	9.3
150.03128	1.4
151.03912	5.9
161.02351	100.0
162.02695	4.3
164.01019	1.4
165.01871	4.4
166.02600	4.1
167.03404	26.2
168.03688	1.3
178.02658	1.0
179.03429	6.2
221.04509	1.5
270.51572	0.7
285.04028	2.3
311.07770	4.1
329.08780	15.4
330.09171	1.2
351.05557	1.7
475.14545	61.6
476.14874	7.7
497.76526	0.8
637.17700	100.0
638.18011	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2141
Annotation	Cistanoside C
Peak:m/z	Relative Intensity
50.26396	0.3
50.87681	0.3
57.03319	1.0
58.00489	0.3
59.01250	6.6
61.98691	1.3
64.44010	0.3
69.46875	2.1
71.01254	6.4
71.28979	0.3
72.99181	0.8
73.02819	1.2
77.03838	0.4
83.01269	0.9
84.80608	0.3
85.02820	7.0
87.00760	0.6
89.02315	2.9
89.03845	0.5
93.03333	0.5
95.01257	2.3
95.04951	0.4
99.00776	0.9
101.02322	2.2
105.03358	1.0
109.02894	0.6
113.02332	9.3
114.02653	0.5
115.01812	0.3
116.92758	0.5
117.03345	1.4
119.03405	0.8
119.04839	0.3
121.02843	1.1
123.04391	2.2
131.01665	0.3
132.02083	4.3
132.60448	0.3
133.02856	38.9
134.03578	3.2
135.04422	14.4
136.04762	0.9
137.02359	0.7
139.03894	0.4
139.61282	0.3
143.03358	0.5
145.02850	0.6
149.02367	1.6
149.05952	0.4
150.03064	0.9
151.03893	1.3
153.05441	0.6
160.01585	5.0
161.02356	100.0
162.02707	5.1
163.03926	0.4
165.01903	0.4
175.03932	4.5
177.01851	4.3
178.02455	0.4
179.03421	13.1
180.03746	1.3
191.03474	0.5
193.03503	0.3
193.05043	1.1
195.02982	0.4
203.03317	0.4
243.02977	0.3
251.05688	0.4
285.04077	1.3
351.05713	1.3
459.15424	0.4
461.16550	2.3
469.13193	0.7
470.14001	0.3
475.18839	2.0
487.14548	0.4
556.18115	0.6
556.68018	0.3
620.50403	0.3
620.61353	0.4
621.18512	0.9
622.18805	1.0
623.19263	0.6
636.36182	1.9
636.69305	0.3
637.21381	34.7
637.37219	1.1
638.21619	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	637.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65799	0.3
57.03310	0.9
59.01254	8.5
60.22112	0.2
61.98701	2.6
65.00184	0.3
69.03314	0.3
69.18230	2.9
70.60712	0.3
71.01255	7.2
72.99194	1.5
73.02811	1.1
75.00744	0.7
78.09469	0.3
83.01244	0.7
85.02824	7.8
87.00761	0.6
89.02319	2.9
89.03847	0.3
93.03323	0.5
95.01267	2.2
98.20493	0.7
99.00741	0.6
101.02328	2.8
103.03861	0.3
105.03344	1.1
109.02838	0.9
113.02330	11.8
114.02668	0.3
116.92782	0.3
117.03342	2.3
119.03387	0.9
119.04900	0.9
121.02879	0.6
123.04420	2.4
125.02353	0.3
130.50127	0.3
132.02074	6.0
133.02853	38.0
134.03719	4.5
135.04420	10.4
136.04730	0.6
137.02335	1.0
139.03905	0.3
145.02901	1.7
149.02350	0.8
149.04532	0.3
149.05952	1.5
150.03146	0.7
151.03912	1.4
153.05513	1.4
160.01573	10.9
161.02351	100.0
162.02682	4.2
163.03914	1.7
165.01840	0.5
167.03401	0.5
175.03931	9.9
176.04282	0.4
177.01799	1.9
178.02568	0.7
179.03415	6.5
180.03738	0.7
193.04974	2.3
194.05356	0.5
226.02696	0.6
242.02179	0.4
243.03046	0.3
244.56335	0.3
256.03787	0.4
270.01733	0.8
271.02408	1.6
285.04050	3.6
299.02060	2.0
300.02567	0.5
313.03500	1.8
314.04321	2.2
315.05124	0.6
328.05936	0.5
329.06589	4.4
351.05579	1.4
457.20853	0.8
461.16721	4.3
462.17355	0.5
475.18707	1.6
555.67468	0.4
556.18256	0.9
605.19623	0.6
637.21332	35.1
638.21655	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	637.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69727	0.3
56.97899	0.5
57.03302	0.3
59.01256	2.2
60.97420	1.4
61.98699	1.7
63.96094	0.3
71.01256	2.3
72.97412	0.3
72.99183	0.5
73.02805	0.3
73.16467	0.3
73.98191	3.8
74.98974	92.1
75.98926	0.3
75.99321	0.9
78.95782	0.7
83.01265	0.4
83.04903	0.4
85.02830	1.4
87.00751	0.9
89.02330	0.7
95.01280	0.5
99.00759	0.4
101.02333	1.2
108.23534	0.2
109.02808	0.4
113.02359	1.8
120.99560	0.4
123.04443	0.3
133.02867	1.0
135.04433	1.6
136.99048	100.0
137.99361	1.4
140.21739	0.3
149.02364	0.4
152.99573	0.5
161.02371	3.5
161.04492	0.4
163.11208	0.6
173.06021	0.3
175.03897	0.4
175.07509	0.3
179.03413	1.8
201.05449	0.4
202.09937	0.3
207.10240	0.3
209.11798	8.9
210.12094	0.5
225.11198	0.3
253.09494	0.4
285.04105	2.3
351.05688	1.2
415.14978	0.4
416.15741	0.6
455.31815	0.4
534.20282	0.8
597.45453	0.3
637.32910	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.5
59.01250	2.3
59.28939	0.4
63.39092	0.4
71.01248	5.2
71.14490	0.7
72.99175	2.1
73.02832	0.6
75.00749	1.2
85.02827	4.2
87.00761	0.9
89.02332	1.3
93.37970	0.4
95.01266	1.5
99.00777	0.9
101.02339	0.5
103.00269	0.9
105.03333	0.9
109.02847	1.3
113.02326	10.0
114.02654	0.7
117.03337	0.7
123.04410	15.2
123.05307	0.9
124.04849	0.5
129.01828	0.4
132.02066	1.3
133.02846	32.3
134.03183	1.4
135.04410	11.4
137.02359	0.9
144.74232	0.5
149.02380	0.8
150.03134	3.3
150.05511	13.3
151.00320	0.5
151.03918	7.2
161.02351	100.0
162.02686	4.6
175.02521	0.7
179.03421	17.3
180.03738	1.3
193.03471	1.6
203.03459	0.9
233.04317	0.4
277.58044	0.5
285.04047	7.9
285.07187	0.8
286.04404	7.9
287.04718	0.7
325.09103	0.7
351.05652	6.8
352.06104	5.7
439.06427	0.5
459.15155	2.2
476.17813	5.9
477.17981	0.7
487.14539	2.0
506.24231	0.5
513.33936	0.5
528.16699	0.6
529.16095	0.6
621.18231	13.0
622.18176	1.5
638.10858	2.9
638.20825	34.2
639.11053	0.5
639.20447	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	639.12
Annotation	Quercetin 3-glucuronide-7-glucoside
Peak:m/z	Relative Intensity
57.03330	0.3
59.01252	1.2
63.02288	0.3
65.00205	0.4
66.29343	0.2
71.01233	1.6
72.99191	1.1
83.01264	0.7
85.02819	2.4
87.00762	0.7
89.02316	0.5
95.01270	0.6
96.30302	0.2
99.00757	0.7
107.01266	1.6
108.02059	0.5
109.02849	0.5
113.02322	2.9
117.01814	0.4
121.02835	0.5
125.02356	0.6
129.01793	0.3
133.02856	0.7
135.00755	0.5
147.00826	0.3
151.00267	4.9
161.02348	0.8
163.00287	1.1
163.03970	0.3
169.01326	0.4
174.03145	0.3
175.02341	0.7
175.03722	0.3
178.99763	2.7
188.04695	0.4
190.02684	0.3
190.99724	0.4
191.84622	0.3
193.01372	0.3
199.03897	0.6
203.03416	0.3
216.04172	0.5
226.02669	4.6
227.03427	1.8
228.04152	0.3
243.02962	9.4
244.03400	0.9
254.02197	4.1
255.02946	4.9
256.03406	0.4
271.02463	41.4
272.02881	4.6
273.03809	0.3
279.68655	0.3
283.02515	0.2
285.04019	2.1
286.04376	0.9
287.04651	0.8
299.01971	0.6
300.02734	40.3
301.03427	15.7
301.08600	0.3
302.03891	0.7
313.03476	0.4
314.04126	0.3
314.67822	0.3
342.03763	0.4
343.04541	1.0
351.05627	1.1
352.06042	1.0
353.06146	1.1
463.08798	100.0
464.09103	11.7
464.15811	0.3
477.06604	0.7
505.09885	2.2
506.10098	0.3
533.08801	0.5
535.11133	2.0
547.11047	0.5
559.10846	0.7
589.37231	0.3
639.11768	11.2
640.12183	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	639.1933
Annotation	Suspensaside
Peak:m/z	Relative Intensity
53.60264	1.0
57.03329	7.4
58.36586	1.1
59.01252	17.2
61.98706	10.2
69.58025	4.7
71.01255	19.6
71.25711	0.8
72.01567	1.0
72.99175	2.2
73.02807	3.8
75.00762	1.2
81.69277	0.8
83.01271	2.3
85.02831	14.4
87.00756	1.7
89.02309	9.2
89.03863	1.8
93.03334	1.9
95.01283	4.4
99.00740	3.7
99.04408	2.1
101.02314	8.5
105.03331	1.8
107.04901	2.2
108.02049	1.5
109.02824	2.5
111.00730	1.7
113.02328	24.0
116.92748	2.5
117.03407	1.1
119.03407	2.0
119.04948	1.8
121.02846	3.2
123.04408	15.1
125.02309	2.4
129.01805	1.3
132.02094	2.4
133.02849	35.6
134.03271	1.8
135.04420	33.4
136.04753	3.0
137.02321	4.0
139.03915	1.4
145.02867	3.8
149.02325	6.9
150.03145	7.6
151.03925	23.4
161.02361	100.0
161.04489	4.3
162.02719	7.3
163.03929	2.2
164.04254	1.0
167.03462	1.3
177.01860	53.3
178.02139	4.7
179.03435	40.2
180.03777	3.2
188.44159	0.9
189.05518	3.3
195.02895	2.0
203.03413	1.1
251.05423	1.9
267.83038	1.1
269.04550	3.3
273.07745	1.0
323.07617	1.9
333.19138	1.3
459.15009	3.5
461.16650	9.5
462.16696	1.9
465.23471	1.5
474.36957	1.2
477.15979	5.2
477.23447	6.1
487.14648	2.4
495.24438	15.3
529.15491	3.2
537.25330	1.3
621.18170	18.8
622.18323	3.4
639.19238	43.6
639.28827	12.3
640.19702	7.0
640.29297	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.193
Annotation	Suspensaside
Peak:m/z	Relative Intensity
59.01231	2.5
62.78638	0.5
68.96041	0.5
71.01253	5.1
71.13480	0.6
73.02835	1.6
83.42493	0.5
85.02828	5.1
89.02312	2.4
93.03310	0.7
95.01251	1.8
99.00755	3.0
101.02323	0.8
105.03345	1.4
108.02060	1.7
109.02838	2.8
113.02336	10.4
114.02639	0.6
117.03326	1.1
122.03581	1.2
123.04415	12.9
132.02052	2.3
133.02852	42.8
134.03281	1.8
135.04419	31.4
136.04733	1.5
137.02303	0.7
148.08347	0.6
149.02353	0.7
150.03128	6.4
151.03918	20.0
152.01071	2.3
153.01811	0.8
161.02351	100.0
162.02711	5.9
178.27458	0.6
179.03419	36.6
180.03815	1.5
189.64240	0.5
203.03435	1.3
205.05019	0.7
206.16385	0.6
242.47667	0.6
267.75113	0.6
296.75766	0.6
315.07330	1.7
315.27252	0.7
323.07715	1.2
329.37158	0.7
345.15802	0.6
459.14709	4.3
477.10410	2.1
477.20081	2.2
487.14655	2.4
529.15704	2.4
575.38708	0.6
583.93378	0.7
621.18152	25.4
622.18622	5.5
639.19250	19.1
640.19586	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	639.1929
Annotation	Suspensaside
Peak:m/z	Relative Intensity
53.04995	0.5
53.78512	0.4
57.03344	0.6
57.25956	0.5
59.01250	3.8
61.98708	0.8
62.50403	0.4
71.01254	7.5
72.99185	0.9
73.02827	0.8
75.00759	1.3
81.03349	0.6
83.01286	0.9
85.02824	6.5
86.38839	0.4
87.00761	0.7
89.02309	2.6
95.01247	2.7
97.06473	0.5
99.00752	1.6
101.02328	2.3
105.03368	1.2
108.02040	0.6
109.02831	2.4
111.00775	0.5
113.02335	11.4
117.03339	1.2
121.02841	0.8
122.03617	1.4
123.04403	10.7
129.69342	0.4
132.02036	3.1
133.02850	67.4
134.03241	2.7
135.04417	31.5
136.04747	1.9
137.02335	1.7
143.03423	0.9
144.95561	0.5
145.02864	0.5
149.02385	1.1
150.03139	7.2
150.13818	0.5
151.03923	19.5
154.02551	0.5
161.02353	100.0
161.04520	2.5
162.02669	5.4
163.03935	2.4
165.01744	0.5
175.03934	1.0
177.01868	8.5
177.05481	1.1
178.02467	0.8
179.03418	40.2
180.03749	2.3
187.04045	0.5
187.09723	1.0
203.03400	1.3
205.04933	0.6
220.87962	0.4
221.04530	0.6
245.04369	0.5
249.78810	0.5
251.05724	0.7
259.63571	0.5
284.03220	1.4
285.03934	2.0
286.03952	1.3
299.05530	1.1
300.05899	1.4
301.06204	1.4
325.09271	0.9
361.16541	0.7
407.80121	0.5
445.27469	0.6
459.15143	4.4
461.06787	0.6
461.16635	2.3
469.13297	0.9
477.15588	2.2
487.14716	3.1
488.15134	1.0
529.15472	3.9
530.16211	0.7
533.05115	0.6
621.18262	28.7
622.18634	4.5
639.19055	30.8
640.19745	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	639.1931
Annotation	Isolugrandoside
Peak:m/z	Relative Intensity
55.73655	0.6
59.01249	9.6
60.76005	0.7
61.98700	4.9
65.00182	1.3
71.00901	0.9
71.01256	13.1
71.56488	0.7
72.99160	2.5
73.02818	1.2
75.00731	1.1
83.01248	2.2
85.02827	9.1
87.00764	2.5
88.98662	0.7
89.02305	5.3
89.03841	1.2
90.80893	0.6
93.03330	2.4
95.01244	4.2
95.04903	0.7
99.00749	2.5
101.02333	4.5
105.01824	0.9
105.03349	3.6
107.01261	1.6
107.04890	1.4
108.02045	0.9
109.02834	3.9
111.00747	2.3
113.02336	19.3
114.02663	1.7
115.00249	0.7
117.03342	1.3
119.03416	1.0
119.04890	2.0
121.02837	3.2
123.04427	12.7
124.01533	1.1
124.04721	1.2
125.02317	1.9
132.02045	0.9
133.02840	23.6
134.03513	1.0
135.04424	20.0
136.04735	1.5
137.02330	4.4
139.00275	2.8
139.03903	2.5
141.01892	0.6
143.03391	1.4
145.02849	3.1
147.00787	0.8
149.02376	9.8
150.03114	1.2
151.00269	5.2
151.03915	7.4
152.01044	0.8
153.01834	3.1
153.05444	0.8
159.02933	0.9
161.02353	41.3
161.04482	1.7
162.02715	3.2
163.00279	8.2
163.03960	2.1
166.99825	1.3
169.01276	1.3
169.05040	0.9
174.94228	0.8
175.03938	1.3
176.01074	1.9
177.01852	100.0
178.02197	5.8
178.99799	5.3
179.03426	17.0
180.03786	2.4
181.01318	1.5
190.99803	1.7
195.02896	3.7
196.03229	0.9
203.03360	1.0
206.97604	0.7
206.99220	3.6
207.06519	1.5
230.05756	0.9
243.03212	1.0
255.03064	1.6
269.04514	3.4
271.02533	1.9
273.04065	1.1
285.04184	2.4
287.05560	1.1
289.03647	1.2
299.02075	3.0
299.05664	2.0
317.03085	10.4
317.06662	2.5
318.03638	1.2
373.18942	1.1
391.19809	0.9
432.29416	0.7
461.16605	16.1
461.22476	1.1
462.17410	2.3
477.16003	4.6
595.20703	1.6
621.18677	1.6
639.19531	36.2
639.28485	3.7
640.20123	7.2
640.30597	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08488	0.7
57.03333	0.7
59.01255	13.8
61.56222	0.6
61.98707	18.0
69.03352	1.2
70.52920	1.8
71.01253	10.9
72.99173	1.0
73.02816	2.0
74.24010	0.6
75.00774	0.7
78.95752	0.9
80.16827	0.6
83.01257	1.2
83.04917	0.7
85.02831	5.5
87.00761	1.5
88.85023	0.5
89.02325	5.4
93.03315	0.7
95.01277	1.8
95.04916	0.7
99.00768	1.7
101.02316	5.1
109.02865	1.3
113.02330	12.5
117.03354	25.1
118.03666	1.2
118.98019	0.5
119.03460	1.1
119.04926	10.2
120.05241	0.7
120.99556	0.9
123.04430	3.6
125.02310	0.7
129.17534	0.6
131.03452	0.7
133.02858	5.9
134.03560	0.9
135.04454	4.9
136.04825	0.6
137.02336	1.3
143.03462	0.7
143.04935	2.7
145.02859	100.0
146.03180	5.2
149.02438	0.6
149.04428	0.7
149.05984	2.1
151.00253	0.9
151.03876	1.1
159.04391	0.7
161.02364	11.7
161.04417	3.1
161.05736	0.8
162.02785	1.1
163.03934	7.0
163.05313	0.6
163.05807	0.6
167.03487	0.6
172.05251	0.7
173.06053	1.3
177.01857	0.7
177.41534	0.6
179.03433	5.9
179.07054	1.4
180.03806	0.7
187.03958	2.5
187.07535	0.8
191.05479	0.6
201.05519	2.5
202.06279	1.7
203.06995	0.5
203.23393	0.6
205.05005	2.3
207.10164	0.9
209.11786	4.5
210.12166	0.9
211.13457	1.1
215.06973	0.8
216.07855	1.2
223.06090	4.1
230.09422	2.8
283.13333	1.0
301.14536	0.7
327.00314	0.5
327.15961	0.7
407.14948	2.8
407.65390	0.7
416.15799	4.8
416.65955	2.3
534.20526	3.3
534.70496	1.7
542.19873	1.5
553.22845	0.7
595.23950	15.0
596.23920	3.0
639.26678	1.2
639.39276	1.9
658.34222	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.0
57.03310	2.8
59.01251	29.6
60.73415	1.1
61.98726	1.7
63.54810	1.0
68.99665	1.1
69.52876	2.9
69.53259	3.0
69.76042	1.1
71.01252	38.3
72.01579	1.0
72.99182	8.1
73.02819	15.6
73.36533	0.9
74.32121	1.0
75.00755	11.1
83.01257	2.9
83.14309	1.0
85.02821	23.3
85.03297	2.0
86.03166	1.1
87.00755	5.1
89.02319	25.5
95.01270	6.1
96.62863	0.9
99.00759	63.3
100.01022	1.4
101.02311	12.6
103.00236	1.5
107.05566	1.0
109.02834	3.3
113.02332	36.6
114.02650	1.3
116.84205	1.0
116.92733	1.7
119.03398	4.9
121.02798	1.1
121.10148	3.5
123.04439	11.2
131.03404	6.4
132.02071	2.4
133.02849	36.2
134.03259	1.4
135.04431	27.3
137.02341	1.4
139.03882	1.1
143.03418	1.9
149.04465	7.2
150.03166	7.5
151.00298	1.7
151.03922	19.9
152.04294	1.1
161.02354	100.0
161.04501	4.7
162.02702	5.4
165.09157	2.7
166.42267	1.0
177.02711	1.2
177.05434	1.3
179.03413	38.5
180.03757	1.7
191.05556	10.9
193.03448	1.5
233.06549	1.7
285.03937	5.2
285.61285	1.1
286.04440	4.3
287.04730	4.7
301.03516	12.3
302.03949	1.0
323.07861	1.1
345.15628	3.1
351.05679	8.4
352.05887	3.1
353.06055	7.4
384.82211	1.0
408.24240	1.3
419.88437	1.2
459.15057	4.5
477.19849	94.6
478.20102	13.9
487.14529	2.5
529.15485	3.2
621.18140	20.1
622.18494	3.3
639.18365	9.8
639.26984	32.3
640.18103	1.9
640.25885	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	639.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.5
58.02840	1.4
59.01250	27.6
59.64084	1.4
61.98690	1.6
63.61782	1.5
69.03309	1.9
69.85224	4.9
71.01250	32.7
72.99179	3.4
73.02818	13.0
75.00741	2.8
83.01259	3.2
85.02832	16.1
87.00769	3.5
89.02318	24.7
95.01273	4.4
99.00755	62.3
100.01083	2.2
101.02323	14.0
102.01897	2.2
108.02055	5.0
109.02847	2.4
113.02328	27.6
114.02695	2.2
119.03426	3.6
119.04890	2.5
121.02845	3.4
121.10091	6.8
123.04427	4.3
125.02331	2.0
128.59299	1.3
131.03397	7.1
133.02844	13.7
135.04413	13.8
137.02379	4.1
143.03421	1.7
145.02863	3.6
149.04497	13.1
150.03165	2.5
150.28378	1.5
151.00275	2.7
151.03920	4.8
152.01054	4.2
153.01801	2.6
161.02353	31.8
161.04480	5.2
162.02705	1.4
163.03902	6.3
164.04315	1.7
165.05502	1.7
165.09126	6.2
175.03938	2.3
179.03407	15.0
181.04910	2.0
191.05516	8.7
195.06607	2.7
211.13387	1.3
233.06647	2.6
285.03854	2.6
297.13513	1.9
301.03473	17.9
315.07196	2.9
345.15530	3.8
351.05847	2.9
353.06186	2.2
370.14151	1.4
459.19022	8.5
463.08728	4.2
477.13953	4.6
477.19754	100.0
478.20020	12.3
514.89929	1.6
621.17749	10.0
639.16345	7.7
639.25586	6.7
640.18384	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67441	0.3
57.03318	0.6
59.01251	6.5
61.98701	35.8
62.44358	0.4
69.38556	0.8
69.38971	2.5
71.01252	5.7
73.02817	2.1
75.33501	0.3
78.53706	0.3
83.01274	0.7
85.02821	3.3
87.00736	0.5
87.03365	0.3
89.02321	1.3
93.03242	0.4
95.01263	0.6
99.00738	0.6
101.02319	4.6
105.03342	0.6
113.02315	2.9
117.03352	4.2
118.03661	0.4
118.97998	0.3
119.03444	0.5
119.04913	1.5
123.04401	0.6
131.93558	0.4
132.02060	1.0
133.02847	25.9
134.03271	0.8
135.04408	3.9
136.01476	0.4
137.02292	0.4
145.02856	7.6
145.03932	0.7
146.03209	2.1
146.04201	0.4
151.03891	0.6
159.02872	0.4
161.02351	100.0
162.02699	4.5
163.03914	2.3
164.04231	0.5
175.03621	0.4
179.03424	1.5
204.18236	0.4
269.10355	1.9
373.40451	0.4
415.16193	0.7
549.95782	0.4
577.19226	57.2
578.19617	9.3
629.42810	0.5
639.26245	1.2
639.35437	0.7
640.26941	4.7
640.36267	0.7
641.26776	0.6
641.37524	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68119	0.4
57.03308	0.9
59.01248	7.4
61.98703	75.4
63.14980	0.5
71.01257	9.4
71.40221	0.4
72.01646	0.4
72.97456	0.4
72.99187	1.1
73.02811	3.4
74.98943	0.4
75.00742	1.0
83.01272	1.1
85.02830	5.7
87.00741	1.0
87.24438	0.4
89.02319	3.1
93.03350	1.0
95.01263	0.8
98.20588	1.1
99.00769	1.3
101.02325	5.8
101.14003	0.4
103.03844	0.5
105.03394	0.6
108.02033	0.6
109.02876	0.7
111.00757	0.6
113.02350	5.3
117.03352	20.8
119.03450	1.2
119.04915	15.1
121.02865	0.6
123.04405	1.7
125.02328	0.5
130.50363	0.4
132.02083	1.1
133.02847	23.7
134.03175	1.4
135.04385	5.3
136.01585	0.6
137.02341	4.3
143.03387	1.0
145.02856	64.8
149.02393	0.8
150.03111	0.6
151.03888	1.1
152.01077	0.5
159.02933	0.6
161.02354	100.0
161.04514	2.7
162.02705	5.4
163.03918	21.8
167.03540	0.5
177.01845	0.5
179.03407	3.2
179.05612	0.5
180.03815	0.6
224.18802	0.5
256.31931	0.5
269.10236	1.3
402.46426	0.5
415.15955	0.9
449.12256	0.6
478.31204	0.6
479.26465	0.8
495.24271	0.8
577.19244	57.3
578.19550	10.4
639.34985	0.9
640.36395	1.1
641.28143	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.6
58.17963	0.4
59.01254	5.4
61.98704	100.0
71.01258	5.7
72.99207	0.4
73.02804	2.0
75.00720	0.4
76.91361	0.4
78.95756	0.5
83.01274	1.0
85.02819	4.0
87.00734	0.4
89.02322	1.7
94.64680	0.5
95.01235	0.7
98.20602	0.8
99.00754	0.7
99.71358	0.4
101.02319	4.5
103.03883	0.4
108.02078	0.4
113.02330	3.4
117.03371	2.1
119.04909	0.9
132.02095	1.0
133.02853	15.2
134.03424	0.6
135.04398	3.9
137.02345	1.1
145.02872	3.8
146.03160	0.4
149.02356	0.5
161.02354	56.0
161.04510	2.5
162.02705	3.1
163.03899	1.4
176.76958	0.5
179.03413	2.0
220.20383	0.4
225.52440	0.4
269.10278	1.4
431.13385	1.1
474.95300	0.5
477.30423	0.8
478.31152	0.5
533.54034	0.5
577.19244	61.6
578.19537	9.9
639.26239	0.5
640.26703	1.4
640.36530	0.6
641.28040	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.8
59.01245	8.1
61.85936	1.1
61.98700	9.5
63.80222	1.3
65.00189	6.3
67.01747	2.3
68.99693	2.1
71.01257	22.1
72.99184	15.4
73.02827	2.1
75.00739	2.8
78.98405	1.6
79.95638	2.1
80.96397	3.0
82.83621	1.3
83.01249	10.3
85.02821	7.7
87.00732	3.6
89.02323	6.5
92.21240	1.6
93.03329	6.8
95.01263	10.2
97.02853	2.3
99.00759	7.6
101.02332	5.3
105.25214	1.2
107.01267	8.7
108.02106	1.8
109.02844	7.0
111.00764	15.2
113.02332	14.3
115.00250	3.0
117.03368	6.4
119.04876	1.6
121.02831	5.4
123.00768	5.3
123.04436	1.2
125.02330	21.9
132.80667	1.4
133.01358	2.5
133.02837	5.9
135.00766	3.1
135.04425	2.9
137.02338	11.6
139.00272	25.7
140.01071	11.5
141.01851	14.4
143.04874	1.7
145.02858	2.7
147.00696	1.7
147.77443	1.3
149.02351	7.7
151.00279	31.9
151.03807	1.4
152.00819	2.4
153.01839	14.1
157.01259	1.5
159.02962	2.0
159.04411	3.0
161.02351	5.3
163.00258	6.9
163.03909	1.6
164.00865	1.4
165.01846	35.2
166.02272	1.9
166.99788	8.3
167.03372	1.8
167.04808	1.5
169.01306	7.6
171.04420	2.3
173.02356	1.5
174.03162	1.8
175.03880	2.4
177.01816	6.9
178.99751	16.8
179.03287	1.7
181.01350	12.3
182.02022	1.5
183.02876	3.8
183.04431	2.0
185.00841	2.8
185.06078	2.8
187.03889	6.0
191.03410	3.8
192.00601	4.1
193.01338	21.6
195.03018	1.6
197.00844	2.4
199.02402	5.0
201.01868	2.1
203.03494	2.3
206.99525	2.2
207.02971	1.8
209.00845	10.3
211.03951	2.1
213.05464	4.9
215.03426	3.3
217.04916	2.1
219.02846	3.9
225.00456	3.4
227.03412	2.8
229.04965	7.2
231.02899	5.3
233.04518	2.7
239.03391	3.6
241.05083	2.9
243.02873	3.3
245.04506	3.0
255.02960	16.4
257.04538	10.3
259.02438	2.8
268.03802	3.3
269.04535	34.7
270.04858	3.0
273.04007	11.6
275.05566	2.8
283.02478	20.3
284.03204	14.1
285.04034	100.0
286.04391	10.6
297.04141	2.2
301.03519	75.4
302.04080	11.4
303.07166	2.2
317.03021	1.8
319.04538	25.6
320.05157	5.2
321.08157	9.5
334.69595	1.7
339.05472	2.8
339.09387	6.9
343.04602	2.0
404.57779	1.3
475.10632	2.4
491.10135	2.2
503.10422	3.3
505.12131	2.3
521.11499	3.5
531.09711	6.1
558.64215	1.5
591.13837	9.8
592.14038	2.0
607.13293	9.6
608.14001	1.6
623.12488	3.5
641.13428	16.5
641.24750	5.5
642.13824	3.0
642.23895	1.6
649.99823	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	7.4
61.98711	1.4
63.79623	0.8
69.64223	2.4
69.64632	2.3
71.01257	13.3
72.99179	2.3
73.02821	1.9
74.70388	0.7
83.01220	1.1
85.02820	11.4
89.02307	5.4
93.03321	1.3
95.01278	5.1
99.00746	1.1
101.02334	3.5
109.02848	2.4
113.02332	24.0
114.02586	1.0
117.03330	1.0
119.03413	2.6
119.04916	1.0
123.00822	1.0
123.04421	3.2
133.01338	1.3
133.02861	28.2
134.03621	1.5
135.04419	44.5
136.01553	1.3
136.04785	2.4
137.02345	94.3
138.02686	5.3
145.02878	2.9
150.73212	0.9
151.03906	1.1
153.05511	3.0
155.28964	0.8
161.02356	100.0
162.02705	6.8
163.02736	1.1
163.03976	1.2
167.73581	1.0
179.03430	8.8
179.05051	1.0
180.03799	1.8
181.05002	0.9
251.61789	0.9
261.19028	0.8
313.11301	1.2
315.10931	1.0
315.15991	1.0
316.96710	0.8
461.16669	13.5
462.17154	1.8
503.17859	3.8
525.16284	3.6
531.16937	1.2
623.19757	45.2
624.19952	7.9
641.20490	19.5
642.20782	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	641.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	29.2
61.98705	17.6
69.32899	10.4
69.33325	9.4
71.01234	22.0
72.99186	2.5
73.02831	2.7
78.95780	6.9
78.98466	3.7
79.95616	7.8
80.04925	8.8
80.96394	16.7
85.02815	4.8
89.02305	9.1
94.06485	4.3
94.98000	5.3
96.95879	5.8
98.19640	3.1
100.08012	2.6
101.02337	6.1
101.34386	2.7
104.04888	2.4
107.03652	5.7
109.06504	5.3
113.02332	6.8
122.06007	43.9
125.02301	3.5
125.09547	3.1
133.02887	5.6
134.06049	12.5
135.04401	7.6
137.02370	4.5
139.02612	4.7
148.03947	3.0
152.07074	46.5
153.07425	2.6
160.03899	3.4
160.06303	9.3
161.02359	10.5
162.02744	3.3
163.11226	3.8
167.03432	7.3
171.10220	5.7
174.05453	4.7
179.03378	10.2
181.08635	2.8
182.54500	2.6
183.13841	5.1
190.04802	3.0
197.11754	25.0
199.09738	2.6
201.11147	3.3
207.10219	9.8
209.11687	11.1
211.13419	13.7
212.13777	4.9
213.10258	31.7
213.14963	13.6
215.06998	3.0
223.13292	7.0
225.00667	4.6
225.11368	19.6
239.11830	20.6
241.13445	17.4
245.12920	10.2
251.11975	3.4
285.12445	74.7
285.15442	5.4
285.24579	2.5
286.12808	6.5
293.12930	10.1
295.10800	4.1
313.11945	6.6
323.10358	11.2
325.11826	3.6
328.10959	3.9
332.17505	3.4
342.12509	5.0
343.13342	6.7
344.13928	3.6
345.74600	3.1
355.12927	6.8
358.15668	23.5
384.13333	5.8
400.16714	19.5
401.16663	3.2
412.16119	4.1
443.19089	3.7
461.20511	3.4
471.15567	17.4
501.31888	3.7
515.77344	2.6
523.23376	15.9
524.23987	4.4
527.18140	3.5
537.24860	3.7
541.24353	3.7
565.24512	100.0
566.24927	20.1
568.23163	5.0
609.23517	97.8
610.23761	30.1
623.32062	3.1
641.24969	21.0
642.26056	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	641.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.9
55.61359	0.2
57.03328	1.3
58.00442	0.8
59.01250	14.9
61.98680	0.5
68.99674	0.2
69.03307	0.6
69.39716	0.6
69.40134	1.0
71.01254	22.2
72.01571	0.4
72.99176	3.4
73.02818	9.8
74.03133	0.3
75.00746	2.6
77.64887	0.2
79.49071	0.2
80.96402	0.3
83.00758	0.2
83.01248	4.2
85.02818	10.9
85.99959	1.2
86.03138	0.3
87.00749	1.9
89.02313	8.1
93.03284	0.3
95.01259	2.0
96.95892	0.3
97.02811	1.1
99.00755	6.3
101.02319	18.7
102.02644	0.5
109.02818	0.3
111.00723	1.0
111.02588	0.2
112.01521	0.9
113.02327	10.3
119.03409	2.2
121.02807	0.4
123.00742	0.3
123.04403	0.3
125.02314	1.0
129.01799	0.7
131.03366	0.7
135.04376	0.6
137.02304	0.9
139.00284	0.2
143.03369	1.0
152.01036	0.3
159.02885	1.4
161.02345	0.3
161.04466	3.5
179.03397	0.3
179.05487	1.2
181.12196	0.3
185.11688	0.9
191.05446	0.4
197.04424	0.3
199.13284	0.7
207.10124	0.6
225.11252	0.7
237.14996	0.3
246.58902	0.2
275.50262	0.2
303.18115	3.1
329.16116	0.6
339.17630	0.2
347.17096	5.5
348.17432	0.4
361.18927	0.3
389.18066	0.4
435.22217	0.4
461.20212	5.6
462.20639	0.7
479.21310	100.0
480.21640	14.4
521.22363	0.4
623.25287	0.3
641.26660	10.8
642.26996	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	641.2814
Annotation	Ligurobustoside K
Peak:m/z	Relative Intensity
53.65840	0.3
55.01742	0.2
57.03323	0.5
59.01251	4.5
61.98706	2.8
71.01254	3.8
72.99188	0.5
73.02828	1.4
73.19800	0.2
83.01254	0.8
85.02830	2.2
87.00767	0.4
89.02320	1.7
92.49879	0.2
93.03393	0.3
95.01297	0.6
97.02840	0.3
98.19789	0.6
99.00777	0.3
101.02317	3.0
111.00761	0.7
113.02332	1.8
113.58405	0.2
117.03353	33.4
118.03684	1.2
119.03468	0.7
119.04917	21.3
120.05285	0.9
121.02846	0.3
123.04471	0.3
129.01805	0.3
133.02850	0.7
135.04390	0.6
137.02385	0.3
143.03423	0.3
145.02863	100.0
146.03209	4.2
161.02388	1.8
161.04547	0.6
161.05899	0.4
162.02794	0.4
163.03929	30.4
164.04245	1.8
167.03389	0.3
179.03343	0.4
299.01984	0.5
305.91943	0.2
333.19125	0.2
340.94559	0.3
405.34207	0.2
477.23306	0.8
479.32510	0.5
495.24451	1.4
551.04694	0.3
578.19714	0.8
641.28119	62.0
642.28448	11.9
642.38947	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03291	1.7
59.01245	6.8
61.98695	9.3
63.96104	1.8
71.01252	12.5
71.52179	1.0
72.01559	0.9
72.99184	2.1
73.02806	3.0
78.95770	1.9
78.98463	6.5
79.95609	13.2
80.96389	66.4
81.03323	1.0
83.01263	2.6
85.02820	6.3
86.72740	0.8
87.00739	4.1
89.02323	4.8
94.97970	13.8
95.01268	1.4
96.95851	1.6
97.02820	1.9
99.00756	1.9
101.02341	6.3
106.97958	3.8
109.02841	0.9
113.02312	5.1
119.03401	1.2
119.04881	1.3
122.97451	4.3
123.04385	1.3
125.02319	3.5
133.02846	1.6
134.96602	0.9
134.97472	5.6
135.04384	2.5
136.99028	0.9
137.02322	1.7
138.03088	0.8
145.02820	3.4
145.47147	0.7
148.99052	6.7
150.03145	0.9
152.98518	5.9
161.02354	4.9
161.04370	1.8
162.02812	0.9
163.03874	1.0
164.98555	12.2
167.03360	1.3
171.10184	1.5
171.87573	1.0
177.09279	0.9
179.03410	1.8
193.04984	0.9
195.10213	6.0
197.11734	1.3
203.83482	0.8
205.12170	0.8
206.99593	2.2
207.10271	0.9
209.11772	9.1
218.09468	0.9
225.00693	17.0
227.12801	1.6
231.10022	0.9
249.07585	1.3
250.08406	1.5
251.05414	0.8
299.04510	3.2
341.23245	0.9
411.78723	0.9
461.20914	1.0
479.21295	1.7
534.39392	0.9
581.28534	1.1
641.28418	100.0
642.28790	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	641.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00444	0.6
59.01247	9.8
61.98703	21.5
65.28363	0.6
69.03297	1.6
71.00912	0.6
71.01256	9.4
71.20114	0.6
72.99161	1.0
73.02789	2.1
78.95770	1.1
78.98420	0.9
79.95606	8.8
80.02538	1.2
80.96390	12.7
81.03304	2.5
83.01237	1.3
83.04848	2.6
85.02798	2.6
87.00739	2.4
89.02310	4.2
94.97945	2.6
95.01243	0.7
95.04892	0.7
97.02828	5.1
97.06462	1.1
99.00731	1.7
99.92475	1.1
101.02316	8.0
107.04904	0.9
109.06477	19.2
110.03631	1.4
111.00770	1.1
113.02324	3.5
115.91946	0.7
116.92760	3.6
119.03357	1.3
121.06469	1.1
122.97475	0.8
123.04359	1.2
125.02318	1.7
125.09589	2.3
134.97470	1.0
135.08083	2.9
136.05176	0.7
142.02605	1.8
145.04967	1.1
148.99060	1.2
151.11151	1.0
152.98505	1.2
153.12738	1.8
161.02440	0.6
161.04425	2.5
161.09610	1.2
163.11197	11.3
164.98528	1.9
167.03433	1.2
169.12257	10.7
171.10201	1.5
179.05586	0.9
179.10666	1.6
181.12215	3.5
183.13835	1.1
185.11728	2.2
189.09109	1.4
197.11765	100.0
198.12093	6.4
206.99661	1.1
207.10204	54.5
208.10550	3.2
209.11815	2.6
211.13345	11.5
215.07159	1.4
223.13321	0.8
225.00737	4.9
225.11272	24.0
226.11639	1.2
235.08183	5.0
235.13513	0.7
236.08655	0.7
237.11270	1.2
243.12325	0.7
252.87106	0.6
253.09282	8.6
299.04456	1.3
315.23398	1.1
325.21713	1.4
341.21259	1.2
343.23038	1.0
359.22302	3.9
361.23932	1.3
369.20764	5.3
370.21149	0.7
377.23407	3.3
387.21750	12.8
387.26355	0.8
388.22369	1.3
405.22675	5.3
419.44400	0.7
433.20697	3.1
443.19260	3.6
461.20267	8.3
471.15381	16.9
471.21817	1.1
472.16016	2.6
479.26489	1.3
499.18774	0.9
527.18579	2.3
595.31757	2.4
596.87335	0.6
597.29437	1.0
605.30096	1.4
623.30743	23.7
624.31207	4.0
636.02301	0.7
641.32349	31.7
642.32813	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	641.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.2
59.01252	2.5
61.98717	1.5
69.03317	0.6
71.01255	1.8
71.06679	0.4
73.02811	0.6
78.95776	1.2
83.01270	0.4
83.04909	0.3
85.02818	0.7
87.00742	0.3
89.02315	0.9
95.01219	0.3
99.00726	0.4
101.02311	2.0
113.02321	1.2
121.11148	0.2
125.02399	0.3
133.02859	0.4
143.03412	0.3
145.04942	0.3
152.99519	0.5
155.47633	0.2
161.02379	0.3
161.04446	0.9
167.10661	0.3
167.14328	0.8
171.10333	0.3
179.05673	0.3
183.13835	7.1
184.14154	0.3
193.12271	1.9
197.11780	0.6
209.11745	0.4
211.13335	100.0
212.13667	6.8
213.14812	0.3
235.08228	1.4
253.09256	4.0
254.09601	0.3
275.20108	1.5
289.21637	0.3
293.21164	0.2
322.83588	0.3
363.58569	0.3
387.25476	0.6
399.34375	0.2
405.26477	0.4
421.35974	0.2
429.21307	0.7
447.22354	4.7
448.22733	0.7
614.74188	0.2
623.34088	0.8
640.76727	0.3
641.30774	0.9
642.31616	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02824	1.0
75.00720	0.6
78.95773	3.9
81.54736	0.5
92.53077	0.6
107.45076	0.6
149.86777	0.5
176.07301	0.5
189.13370	0.6
221.96742	0.5
259.83075	0.5
426.17166	0.6
441.15961	0.8
442.88428	0.5
452.11060	1.3
453.11679	1.8
455.16949	1.1
459.17584	0.9
464.69299	0.6
465.15829	1.0
466.16861	1.0
467.13382	1.5
473.18719	0.8
479.17215	1.4
481.11478	1.7
481.18286	1.1
495.17130	0.8
496.13519	5.7
497.13467	2.7
507.16522	1.6
508.17603	4.1
509.18198	0.8
510.15417	4.6
511.15878	9.1
512.16803	2.5
513.17340	1.5
514.18127	0.8
522.39880	0.7
523.20172	3.4
528.16174	1.1
528.36957	0.7
534.16278	0.7
538.14813	2.6
539.15778	1.1
540.16675	1.9
542.14294	1.1
544.16772	3.9
545.15796	0.9
549.17914	0.9
553.17255	1.5
567.19019	1.1
570.17169	1.6
571.18317	5.8
572.18878	1.9
583.18335	1.6
602.16516	0.8
604.63690	0.7
643.20490	100.0
644.20770	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34722	0.4
55.01751	0.5
59.01249	6.1
69.03323	0.6
69.33158	3.0
71.01257	7.7
72.99158	0.8
73.02794	1.1
80.96389	0.8
81.03323	1.1
81.74156	0.4
83.01235	0.9
85.02818	3.1
87.21410	0.4
89.02319	3.5
93.03331	0.9
95.01257	1.7
97.02852	0.4
98.19843	0.8
99.00732	0.8
101.02328	4.0
108.02051	41.4
109.02846	23.4
109.03607	0.9
110.03184	0.5
113.02330	3.1
119.03386	1.0
121.02817	0.9
121.10161	0.5
123.00789	1.0
123.04369	0.6
133.02844	1.0
134.03645	0.4
134.14290	0.4
135.00743	0.6
135.04388	1.5
145.02855	0.4
146.72710	0.4
151.03870	0.8
152.01059	49.4
153.01848	19.4
155.88358	0.4
160.33391	0.4
161.02370	2.6
163.03902	1.2
165.01814	0.8
165.09152	0.9
179.03404	1.2
181.04930	0.4
183.10211	0.5
209.54788	0.4
315.07181	2.4
345.15488	1.9
399.10812	0.4
414.58307	0.4
643.22375	100.0
644.22748	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	643.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.3
58.00463	0.3
59.01253	6.2
61.98703	2.7
62.06167	0.3
66.68060	0.3
69.51593	2.0
71.01254	7.7
71.01618	0.6
71.31905	0.3
72.99174	1.2
73.02814	1.1
75.00747	0.9
79.95617	0.4
80.96406	1.7
81.03345	0.4
83.01263	0.8
85.02821	3.2
87.00770	0.5
89.02318	4.8
93.03331	1.0
94.97962	0.4
95.01283	1.3
95.04913	1.2
99.00775	0.6
101.02321	5.5
102.08133	0.2
108.02072	0.4
109.02836	0.6
113.02329	4.2
119.03379	1.8
119.04939	0.5
121.02869	0.6
121.09992	0.3
122.03627	1.3
123.04408	100.0
124.04747	3.1
125.02328	0.7
133.02875	0.9
134.03619	0.6
135.04413	1.4
137.02316	1.2
139.82222	0.3
143.03439	1.1
145.02869	0.9
151.03928	0.5
153.05476	90.9
154.05803	3.4
161.02379	2.1
161.04475	1.6
163.03922	0.8
165.09111	1.1
167.03339	0.3
177.01866	0.7
179.03392	1.6
179.05550	0.5
183.10172	0.4
193.03442	0.4
193.05040	0.3
195.06558	0.4
207.10226	0.4
225.00558	0.3
245.05319	0.3
255.02939	0.7
256.03665	0.3
275.09293	0.4
283.02643	0.7
284.03223	1.0
297.09827	0.4
299.05600	1.3
315.10800	2.0
327.14487	4.4
328.14813	0.4
345.15533	35.2
346.15875	2.9
351.05557	1.3
353.06497	0.3
387.16641	2.4
399.16324	0.3
411.16531	0.6
429.17654	0.5
441.17780	1.3
489.19772	2.7
490.20084	0.4
511.27478	0.3
567.29950	0.5
574.79633	0.3
607.16699	1.1
643.25751	7.5
644.26465	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	643.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.3
58.00459	0.4
58.85162	0.3
59.01252	9.6
61.98702	4.0
69.03339	0.8
71.01250	4.8
71.49481	0.3
72.99175	0.4
73.02815	1.0
78.95781	0.8
80.02543	0.6
81.03337	0.8
82.40672	0.3
83.01273	0.7
83.04897	4.0
84.02039	0.6
85.02837	1.4
87.00757	0.8
89.02312	3.2
95.01250	0.6
96.95889	3.6
96.96822	0.3
98.19742	0.7
101.02314	4.1
113.02348	2.3
115.88000	0.4
119.03398	0.8
119.17223	0.3
121.97421	0.3
125.02342	0.5
125.09669	0.5
126.70251	0.3
127.11179	0.4
133.02870	1.6
135.04404	0.7
135.08075	0.6
141.09148	0.4
143.03432	0.7
146.18102	0.3
151.00307	0.5
151.11111	0.3
153.09090	0.7
153.12761	1.3
161.02370	1.0
161.04456	2.1
163.11212	2.5
165.12802	1.6
169.12257	6.5
170.12497	0.4
171.10173	1.0
179.03403	0.7
179.05511	0.9
179.10698	0.7
179.14241	0.3
181.12277	0.6
183.13828	0.5
184.71849	0.4
191.10759	0.6
195.13849	1.2
197.11765	100.0
198.12109	6.2
199.13316	1.2
201.11266	6.8
207.10159	0.5
209.11769	84.6
210.12090	5.1
213.14949	3.1
223.11316	0.5
223.13376	4.4
225.11250	0.4
227.12846	15.3
228.13200	0.8
235.08167	2.8
235.13295	1.5
251.09602	0.3
253.09251	8.9
254.09500	0.5
263.34937	0.3
278.89966	0.3
285.04034	11.3
286.04395	1.2
371.22324	0.4
389.23114	1.4
407.24539	0.6
433.20810	3.2
434.20966	0.6
445.20316	1.1
455.19800	0.4
459.21957	0.4
463.21875	0.5
467.93250	0.3
557.98248	0.4
607.30835	0.8
625.31653	1.0
643.24994	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24492	0.2
59.01248	3.9
60.09906	0.2
61.98700	8.3
61.99002	0.5
66.81171	0.3
69.03339	1.0
69.27497	0.9
69.27919	1.3
71.01250	3.4
72.99153	0.3
73.02828	0.5
76.90182	0.3
80.02555	0.6
81.03355	0.8
83.01262	0.6
83.04897	3.9
84.02041	0.4
85.02858	1.0
87.00784	0.5
89.02307	2.0
95.04906	0.3
99.00733	0.3
101.02314	2.7
103.36188	0.3
113.02354	1.9
119.03391	0.6
131.03465	0.3
135.08047	0.4
141.09061	0.4
143.03500	0.4
145.04974	0.4
153.09134	0.6
153.12762	1.4
161.04454	1.4
163.11230	2.4
165.12723	1.5
169.12259	6.2
171.10217	1.3
179.05524	0.4
179.10736	0.5
191.10765	0.6
197.11771	100.0
198.12115	5.9
199.13338	0.6
201.11290	0.9
207.10213	0.5
209.11774	72.3
210.12103	3.9
213.14819	0.4
223.13370	1.0
227.12840	12.2
228.13153	0.5
235.08226	3.4
235.13324	1.4
253.09254	8.1
254.09698	0.4
260.23532	0.3
334.13251	0.3
371.22272	0.3
389.23187	0.6
414.70389	0.3
431.15326	0.3
433.20758	3.9
434.21103	0.4
445.20633	0.8
460.55566	0.3
463.21759	0.3
493.58853	0.4
529.43665	0.3
607.31171	0.9
625.32574	0.5
643.34497	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.6
57.03322	0.5
57.36386	0.4
58.00478	0.6
59.01250	97.6
60.01583	0.7
61.98703	2.3
69.03326	0.7
71.01256	14.0
71.04868	0.7
71.06588	0.9
72.99170	0.6
73.02822	2.8
80.02539	0.7
81.03350	0.8
83.01252	0.7
83.04900	3.8
84.02035	0.7
85.02805	3.4
86.92145	0.5
87.00752	1.3
89.01815	0.9
89.02319	7.1
97.02841	1.0
97.06465	0.6
99.00754	1.2
101.02328	8.8
109.06480	0.7
113.02335	6.4
119.03403	3.1
123.08013	2.7
137.09631	0.8
143.03410	1.7
145.05000	0.6
153.12764	1.6
155.55444	0.5
159.02919	1.3
161.02409	0.7
161.04460	15.1
162.64404	0.5
163.11185	4.1
165.12801	1.9
169.12256	7.1
170.12437	0.5
171.10141	2.4
179.05507	4.3
179.10617	0.6
183.13831	7.4
183.67307	0.6
189.12740	3.1
191.10756	0.6
195.13860	6.4
197.11761	100.0
198.12083	6.6
199.13309	1.9
205.03448	0.8
207.10252	0.9
207.13818	10.0
208.14197	1.0
209.11768	70.3
210.12135	4.7
211.13437	0.9
213.14902	60.7
214.15338	4.9
225.11317	0.7
225.14920	4.5
227.12852	14.1
228.13225	0.9
235.08229	3.3
235.13347	1.6
236.57535	0.5
253.09294	10.1
254.09711	0.6
286.94849	0.6
332.84961	0.5
387.20291	4.3
389.23123	0.6
431.19040	1.4
433.20798	4.8
434.21094	0.9
436.47327	0.5
445.20511	0.8
463.21967	1.0
607.30963	0.9
615.07306	0.6
625.31860	0.7
640.01025	0.4
643.33691	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.6
57.03329	0.8
59.01251	6.4
60.77355	0.4
61.98703	3.0
69.03334	0.5
69.33979	3.4
71.01255	10.1
72.99181	1.0
73.02812	3.0
75.00743	0.7
78.95782	0.5
80.96394	0.6
81.03331	1.8
83.01257	3.4
85.02821	6.5
85.99987	0.6
87.00747	1.3
89.02307	1.9
93.03343	1.9
95.01263	3.0
96.20122	0.4
96.95912	3.8
96.96846	0.6
97.02806	0.7
99.00787	2.0
101.02324	7.9
108.02052	51.4
109.02848	26.4
109.03613	0.8
110.03178	0.7
111.00750	0.6
113.02342	3.7
117.03320	0.6
119.03379	0.5
119.04919	0.7
121.02832	1.3
123.00796	2.2
123.04420	2.5
124.04694	0.5
125.02343	1.3
127.00269	0.6
133.02824	1.6
133.53586	0.4
135.04393	2.1
137.02344	2.3
145.02899	1.4
146.09019	0.4
149.02367	0.5
151.00317	0.9
151.03899	1.5
152.01057	56.2
153.01851	17.2
153.05508	1.2
154.02214	0.5
154.05817	0.7
161.02348	3.1
161.04417	1.1
163.03905	1.6
164.48743	0.4
164.72186	0.4
165.01825	1.0
165.05461	0.6
175.03946	0.6
177.01833	1.3
179.03413	1.7
181.05022	0.4
185.11760	0.7
208.23567	0.4
246.00223	0.5
277.03571	0.5
301.07071	0.5
315.07202	1.0
347.17044	5.3
348.17194	0.5
609.18127	1.7
645.23944	100.0
646.24298	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	645.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09463	0.3
51.39671	0.2
55.01760	0.4
57.03319	0.5
59.00990	0.5
59.01250	4.0
60.16429	0.3
61.98703	4.7
62.02532	0.3
65.00198	0.4
66.39767	0.3
67.01760	1.1
68.99670	0.4
69.03316	0.3
69.36761	2.1
71.01254	7.6
72.99186	1.2
73.02813	2.7
75.00745	1.1
78.91764	0.8
78.95777	0.4
80.61537	0.2
81.03329	0.5
83.01273	1.6
85.02823	4.5
85.99965	0.4
86.13310	0.3
87.00754	0.7
89.02309	1.4
93.03335	1.0
95.01279	1.7
95.04910	1.7
96.95915	0.5
99.00745	1.5
101.02323	6.4
102.02744	0.3
105.01802	0.3
105.03329	0.3
108.02045	2.3
109.02845	1.9
109.99942	0.6
111.00761	1.2
111.25653	0.3
113.02330	5.3
114.02613	0.3
115.00235	0.4
117.03348	0.9
119.04921	0.7
121.02833	0.9
122.03644	1.2
123.04408	100.0
124.04739	3.8
125.02334	1.1
129.01820	0.3
131.04860	0.3
132.02139	0.3
133.02852	2.7
134.03595	0.8
135.04404	4.6
136.04758	0.3
136.98703	0.6
137.02353	3.1
137.99483	0.6
139.00266	1.8
143.03442	0.5
144.02272	0.2
145.02859	2.4
149.02325	0.5
149.06003	1.0
150.03206	0.4
151.03920	0.5
152.01085	2.7
152.04544	0.3
153.05479	85.7
154.05792	3.1
159.03040	0.4
159.04430	1.2
160.01578	0.8
160.05182	0.5
161.02356	7.2
161.04536	1.8
161.05788	1.8
162.02733	0.7
163.03905	0.8
165.01816	1.8
174.03023	0.3
175.02501	0.4
175.03864	1.4
177.01848	1.0
177.05522	0.7
178.02475	0.3
179.03397	2.6
180.03903	0.3
184.48988	0.3
185.11792	0.7
187.03914	1.4
188.04692	1.4
189.05482	0.7
193.03433	0.4
193.05011	0.3
200.75705	0.3
201.05496	0.5
203.07066	0.3
205.05025	0.5
213.05472	0.4
219.02899	0.4
221.04506	0.6
229.05043	0.6
231.03027	1.9
231.06577	2.6
233.04559	0.4
245.04582	0.3
255.02928	1.0
256.03500	1.2
257.04425	1.1
259.02451	5.9
260.02817	0.4
274.04819	0.4
275.05713	0.5
283.02463	1.0
284.03098	0.9
285.03345	0.3
297.09940	0.3
307.08292	0.6
315.10910	1.8
329.12216	0.6
329.16049	9.2
330.16278	0.6
347.17096	35.5
348.17404	3.1
351.05695	0.9
352.05682	0.4
361.19101	0.3
389.18210	2.4
413.18054	0.8
431.19366	0.6
443.19528	1.6
491.21353	2.8
492.21219	0.6
585.12225	0.4
627.13525	14.5
628.13989	3.6
645.27576	6.7
646.27820	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.3
58.00451	0.9
59.01250	39.2
61.98706	10.0
64.80001	0.9
67.53782	0.7
71.01258	9.9
73.02825	6.9
74.34571	0.6
75.00727	0.7
78.95762	1.3
80.27126	0.7
83.04914	1.8
85.02814	2.5
87.00721	1.0
88.39365	0.8
89.02305	3.1
95.01289	0.9
95.56203	0.7
96.95896	0.8
99.04391	6.8
99.09396	0.7
101.02305	3.1
106.39668	0.8
109.06432	1.0
113.02328	2.7
125.09617	1.2
127.03897	2.0
133.02831	2.5
135.04391	3.1
139.07553	1.3
145.02866	1.8
161.02322	3.3
165.12784	4.7
167.14293	1.4
179.03407	3.1
183.13791	3.2
184.37054	0.9
185.11722	2.6
191.14291	1.4
195.13788	4.9
197.11777	6.5
197.15414	2.4
198.12100	5.3
199.09691	2.5
199.13351	1.4
201.11246	1.5
207.13812	8.7
209.11786	31.0
209.15379	3.0
210.12054	4.5
213.14911	15.9
225.14914	8.0
227.12811	2.6
227.16432	5.8
237.14957	4.1
249.15063	1.1
251.12846	5.4
253.09283	2.1
255.15945	5.9
269.13931	100.0
270.14288	6.9
548.22577	2.1
550.14502	1.0
585.31708	0.8
601.39301	1.4
645.34998	45.4
646.35187	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43678	0.3
55.01755	0.5
57.01928	0.3
57.03320	0.5
58.00463	0.4
59.01249	11.7
61.98697	2.2
69.03333	0.3
70.79591	0.3
71.01251	6.3
72.99185	0.7
73.02827	1.4
75.00729	0.3
83.01277	0.9
85.02819	2.9
87.00776	0.6
88.98688	0.4
89.02320	2.8
93.03291	0.3
95.01250	0.6
96.95900	0.5
97.02849	0.3
98.00419	0.3
99.00752	1.0
100.62547	0.3
101.02325	4.1
101.02940	0.5
109.02906	0.3
111.00739	0.3
113.02337	3.1
113.35326	0.3
116.92714	0.5
117.03346	26.2
118.03699	1.1
119.03445	0.8
119.04919	10.5
121.02853	0.4
125.02357	0.6
127.03847	0.4
133.02919	0.4
135.04417	0.9
135.08046	0.3
137.02319	0.3
143.03426	0.5
143.04919	3.6
145.02852	100.0
146.03201	4.9
151.07526	1.9
159.02823	0.4
161.02338	1.0
161.04504	2.0
161.05811	0.5
163.03922	7.6
163.05206	0.6
164.04274	0.5
179.03433	0.6
179.05626	0.5
187.03915	2.0
199.66446	0.3
201.11256	6.4
205.05051	2.7
209.11755	3.6
223.06105	0.5
227.12775	0.7
253.09213	1.1
268.78964	0.3
269.10339	1.1
415.16025	2.4
457.16168	0.8
543.27985	0.6
544.28137	0.4
561.19830	1.7
561.27814	0.3
603.20782	13.7
604.21222	2.1
629.38965	1.3
646.36206	0.4
647.28497	0.5
647.38287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93356	0.6
55.01753	2.6
57.03320	1.5
59.01253	4.1
61.98701	1.8
67.76616	0.5
69.72480	3.5
71.01266	6.1
72.99142	0.8
73.02816	4.1
75.00745	1.0
83.01260	58.9
85.02821	2.9
89.02334	1.7
93.03340	1.9
93.13141	0.5
95.01273	1.6
96.95880	3.0
97.02833	1.0
99.00759	12.0
101.02325	25.3
108.02067	2.8
109.02881	2.7
111.38749	0.6
113.02321	5.6
119.03394	0.5
119.04944	0.7
121.02879	3.0
122.03645	1.9
123.04391	1.1
125.02322	1.4
127.00266	38.2
128.00566	1.3
128.03494	0.6
133.02827	1.6
134.03645	2.9
135.04456	2.7
136.01563	91.9
137.02249	3.8
141.01839	3.8
142.28531	0.5
145.01347	2.1
145.02869	0.9
147.04414	1.3
149.05989	2.3
151.03917	100.0
152.04263	4.3
153.01814	1.7
154.02313	0.6
159.04422	2.6
160.05241	1.0
161.02351	3.7
161.04460	2.1
161.05872	0.8
162.03090	1.6
163.03915	2.1
169.01357	0.9
175.03944	1.9
175.07497	1.4
176.04637	0.6
177.01894	0.8
177.05550	1.3
179.03403	2.7
189.05470	1.8
190.06363	0.6
191.07010	1.1
193.04979	1.0
195.06607	0.6
203.07039	0.9
217.05028	1.1
225.07617	1.2
241.05185	0.7
247.04535	0.6
268.50601	0.6
289.05688	3.8
307.06616	1.8
327.12396	3.2
339.07312	3.2
342.11139	5.1
343.11804	4.0
357.13437	50.4
358.13757	4.9
459.15085	0.9
557.21417	0.7
647.19751	58.4
648.20148	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	647.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	4.2
57.03315	4.3
58.00451	2.8
59.01251	100.0
60.99180	2.0
61.98693	8.1
68.99684	1.4
69.03323	1.3
71.01254	64.7
72.99178	3.3
73.02819	12.6
83.01268	7.2
85.02299	1.3
85.02821	23.9
87.00742	5.1
88.98681	15.2
89.02322	25.8
95.01256	7.7
97.02845	1.3
99.00769	6.1
101.02325	34.0
111.00784	2.5
113.02332	34.7
115.03922	1.6
116.92784	1.6
119.03390	10.9
119.04882	1.4
123.04370	1.6
124.01574	2.5
125.02342	2.6
129.01816	2.3
131.03372	1.3
133.02846	2.8
135.04420	2.8
137.02367	1.5
143.03378	5.1
145.02832	4.6
151.07527	4.2
159.02895	2.0
161.02364	6.5
161.04419	8.3
167.03285	1.3
175.02391	2.1
179.03374	4.8
179.05486	3.1
201.11203	1.7
209.11795	2.1
381.22775	2.0
399.23846	6.9
495.26581	1.3
543.28107	97.5
544.28424	16.0
561.29138	80.1
562.29388	15.3
603.30139	6.0
629.38794	2.3
647.20496	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71954	0.3
59.01260	1.5
61.98717	0.5
70.89452	0.6
71.01265	0.6
74.36961	0.3
78.95786	0.3
85.19238	0.3
87.51142	0.3
88.29585	0.3
111.49595	0.3
117.03355	28.8
118.03686	0.7
119.04915	8.4
120.05285	0.4
120.71689	0.3
121.02856	0.9
121.29788	0.4
123.04401	0.4
129.98396	0.3
145.02861	100.0
146.03180	4.0
152.99484	0.4
161.02428	1.0
162.03239	0.4
163.03937	6.9
231.75093	0.3
260.60651	0.3
270.73465	0.3
349.25418	0.7
367.25757	0.3
411.25562	1.3
421.30692	0.4
429.26385	1.6
439.32040	0.5
483.31125	0.4
485.32639	0.9
501.32227	0.4
585.35248	1.0
603.37018	2.3
604.37225	0.7
629.34930	0.6
647.35883	74.1
648.36206	17.9
648.47369	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03473	0.2
59.01240	0.4
61.98700	0.9
70.25697	0.8
71.04892	0.3
74.54975	0.2
78.95777	0.5
82.20418	0.2
91.99643	0.2
98.20477	0.2
112.12355	0.2
117.03358	27.7
118.03713	1.0
119.04925	5.6
121.02857	0.7
123.04385	0.4
126.10973	0.3
144.78194	0.2
145.02863	100.0
146.03206	5.0
151.50011	0.2
161.02357	0.2
163.03926	4.5
164.04193	0.4
171.10187	0.3
177.08780	0.2
204.70641	0.2
220.66208	0.2
243.64420	0.2
483.31049	0.5
501.32233	0.6
603.36963	0.8
629.34961	0.3
647.35895	62.2
648.36292	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.38
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.1
57.03333	2.7
58.00460	5.6
59.01251	100.0
59.44423	1.3
60.01580	2.0
61.98699	8.4
71.01253	73.4
72.99176	7.6
73.02831	4.2
75.00726	2.1
78.95788	1.5
83.01270	3.8
85.02827	18.1
87.00761	4.6
88.98696	3.0
89.02319	80.9
93.03334	1.7
95.01281	7.8
97.06462	6.6
98.49444	1.2
99.00769	1.9
101.02327	41.8
109.02890	1.3
113.02332	30.7
117.03397	1.5
119.03392	30.9
119.04877	1.7
123.04404	2.3
125.02344	2.0
131.03394	3.4
133.02837	10.0
134.03508	1.2
135.04410	11.4
137.02325	2.5
143.03398	7.5
143.38741	1.4
145.02829	6.9
149.02365	1.4
149.04445	4.1
161.02362	23.4
161.04445	9.1
162.02744	1.8
175.03833	1.4
177.01863	6.0
179.03430	13.6
179.05524	22.7
187.03943	1.5
201.11285	3.4
202.06161	1.3
207.10297	1.5
209.11852	6.2
210.12161	1.8
211.13474	1.9
225.11383	1.3
345.17169	1.8
371.26031	3.4
385.27512	2.8
399.25803	2.6
421.31049	11.1
422.32022	1.8
423.28995	3.2
435.28952	1.9
437.30884	7.7
438.30405	1.5
455.31656	82.3
456.31924	12.6
465.30084	11.2
466.30447	2.4
467.31747	14.3
468.31934	2.4
473.32611	2.6
485.32254	2.2
499.30600	4.2
638.25970	1.6
639.26245	1.8
646.75818	2.1
647.27386	2.4
647.38007	17.9
648.38159	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	647.3803
Annotation	Quadranoside VIII
Peak:m/z	Relative Intensity
55.01758	2.1
57.03318	1.6
58.00474	4.9
59.01252	100.0
60.01566	1.4
61.98689	2.6
63.40335	0.7
70.77256	2.5
71.01254	74.0
72.01611	1.2
72.99187	6.6
73.02811	3.6
75.00744	1.2
78.95764	1.4
83.01266	3.7
83.04916	1.1
85.02821	14.6
87.00743	4.3
89.02319	78.9
90.02654	1.0
90.78600	0.8
95.01263	6.0
97.06470	3.4
99.00774	2.4
101.02325	36.1
113.02334	28.8
114.02698	1.0
119.03392	34.9
120.15285	0.8
125.02338	1.2
131.03391	3.9
133.02858	3.5
135.04407	3.3
143.03401	9.5
145.02832	1.4
149.04436	3.9
152.01147	1.0
161.02368	10.8
161.04465	8.5
170.70390	0.9
176.86671	1.2
179.03476	3.4
179.05537	27.7
180.05910	1.1
201.11244	3.5
209.11743	4.5
211.13440	2.1
223.13646	1.0
225.11433	0.8
244.56410	1.0
246.21431	1.0
253.09367	1.1
301.71091	0.8
371.25839	2.7
385.27393	2.3
399.25470	1.2
413.30923	1.1
417.26385	1.4
421.31079	8.8
422.31210	1.9
423.29019	1.9
435.29019	1.1
437.30661	7.5
438.31311	1.0
453.30002	2.5
455.31677	69.5
456.32028	10.3
465.29919	6.8
466.30630	1.3
467.31699	13.6
468.31912	2.8
481.30029	1.2
499.30722	6.0
603.38391	2.1
647.11517	1.1
647.37909	24.4
648.38232	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	647.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41612	0.6
59.01252	3.0
61.98704	1.5
70.66644	1.3
78.21914	0.6
78.95789	1.2
95.04888	0.9
105.03354	3.0
132.02068	6.7
133.02853	20.7
134.03583	2.6
147.04439	0.8
147.62764	0.6
149.05992	2.0
152.99445	1.2
160.01575	40.4
161.02159	2.4
175.03931	41.1
176.04250	2.5
177.01855	4.0
190.66266	0.7
192.04248	0.7
193.05026	1.8
253.21472	0.8
355.93375	0.8
398.80536	0.7
468.81445	0.7
492.67545	0.6
497.32831	1.4
530.17822	1.4
632.37091	6.3
633.38245	0.7
647.39526	100.0
648.39862	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	647.3958
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
50.73423	0.6
59.01255	1.4
60.59238	0.5
61.98693	1.6
66.21895	0.5
69.43692	3.3
69.44103	1.0
70.28970	0.5
78.95777	1.3
85.00495	0.5
89.75138	0.5
98.20516	1.0
105.03340	3.7
112.88148	0.6
119.04878	0.9
132.02063	8.6
133.02852	22.6
134.03706	3.2
135.44463	0.5
147.04431	1.0
149.05962	1.6
152.08237	0.5
152.99493	1.1
160.01575	43.6
161.02167	1.9
171.10033	0.6
175.03935	47.5
176.04321	2.5
177.00697	0.5
177.01889	5.3
179.17944	0.4
192.04271	0.7
193.04994	1.3
345.60425	0.6
387.96976	0.6
419.68396	0.6
420.68524	0.5
453.33841	1.9
497.32788	1.0
530.17487	0.7
531.31134	0.8
576.60217	0.7
632.37048	6.3
633.37396	1.5
647.39514	100.0
648.39874	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.3
60.60770	0.6
69.23119	0.6
71.01283	0.6
78.95782	2.2
88.92126	0.8
95.04881	1.0
105.03328	2.7
119.04879	1.1
123.37750	0.7
132.02077	6.8
133.02853	17.9
134.03688	3.8
135.04451	1.0
149.05966	2.0
152.99417	1.4
160.01585	33.5
161.02376	3.6
175.03926	38.5
176.04243	1.0
177.01849	4.3
179.03397	1.7
193.04909	1.4
453.33682	1.5
497.32697	1.0
530.17883	2.7
615.84613	0.7
632.37537	4.5
647.39526	100.0
648.29712	1.0
648.39777	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	647.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	3.2
61.98693	1.5
71.51791	1.1
78.95770	1.9
91.07640	0.7
105.03373	1.9
119.04899	0.9
132.02075	7.9
133.02855	23.6
134.03703	4.1
135.04395	1.1
136.01509	0.9
149.05936	2.6
152.99513	1.2
160.01579	43.0
161.02208	3.2
175.03937	47.1
176.04312	2.5
177.01894	4.0
179.03479	1.7
193.05070	1.5
476.27026	0.9
497.32840	1.5
552.96008	0.9
597.61505	1.0
632.37042	6.7
633.37537	1.8
647.39484	100.0
648.29492	1.1
648.39862	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	649.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.5
58.00486	0.2
59.01250	3.8
61.98706	2.2
70.03625	0.8
71.01256	4.8
72.99191	0.7
73.02823	0.4
75.00739	0.3
80.91551	0.2
82.22804	0.2
83.01250	0.5
85.02821	3.2
85.03293	0.3
87.00760	0.5
88.98689	0.3
89.02320	1.4
91.05387	0.3
93.03358	0.5
95.01260	1.2
95.04932	0.3
96.95894	0.6
98.19927	0.4
99.00757	2.7
101.02345	1.8
107.04925	0.8
109.02836	0.5
111.00716	0.2
111.04406	0.2
112.24149	0.3
113.02328	3.8
115.00288	0.3
117.03329	0.6
119.03416	0.6
119.04926	1.3
119.05699	0.2
121.02833	0.8
123.04424	0.6
125.02386	0.2
132.02061	0.7
133.02852	7.6
134.03648	3.1
135.04417	59.7
136.01588	1.9
136.04758	2.7
137.02325	1.2
143.03352	0.3
145.02840	1.1
147.04562	0.3
149.02347	0.4
149.05936	0.3
151.00278	0.8
151.03934	4.1
151.83669	0.3
152.01025	0.3
160.01509	0.3
161.02354	17.4
161.04506	0.9
162.02715	1.1
163.03999	1.2
166.02629	3.3
175.03925	0.6
177.01804	0.4
177.05490	0.4
178.02583	0.3
179.03419	100.0
180.03767	5.4
181.04964	3.4
203.03563	0.6
205.05032	0.2
209.04482	0.7
233.04480	0.3
245.04446	0.8
253.58665	0.2
272.53943	0.2
299.05557	0.3
323.07648	0.4
325.09296	0.5
357.10007	0.6
372.12094	0.7
387.14471	10.3
388.14713	1.0
485.28983	0.4
486.29428	1.1
487.14645	3.8
487.29837	0.6
488.15131	0.4
649.30640	1.8
650.30627	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.267
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
59.01248	12.3
69.47697	7.1
71.01254	1.4
74.11481	1.1
78.95780	29.7
83.04882	1.7
96.96855	2.4
109.06458	1.0
110.35480	1.0
110.98421	4.1
129.04779	1.0
152.99495	33.0
161.42242	1.0
163.11227	1.9
167.01039	1.8
171.10165	2.8
173.53555	1.1
180.87996	1.0
180.89590	1.0
181.12276	1.7
185.11818	1.2
194.35196	1.0
195.98062	0.9
207.10188	4.1
209.11786	9.4
225.11234	9.5
243.12431	1.2
255.23242	18.1
256.23703	1.6
363.12054	1.8
381.13116	11.9
395.14651	2.4
413.15784	10.0
415.15012	1.3
423.25330	1.6
429.17355	3.2
430.18118	1.6
458.17346	6.8
459.18237	5.0
472.19077	2.0
473.20444	9.1
474.20328	1.9
487.17728	2.1
488.18665	2.6
489.19165	1.2
499.17761	2.2
517.18768	20.6
518.19354	4.0
527.99493	1.2
531.19824	4.7
532.21100	1.8
559.23859	1.5
575.22949	9.8
576.23395	2.6
617.34174	1.2
618.25085	1.5
619.24963	1.3
631.36896	2.1
649.26794	100.0
649.37207	11.6
650.16229	1.3
650.19092	0.8
650.27191	22.2
650.37262	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59888	0.4
51.70374	0.4
55.01731	0.4
57.03323	0.5
58.00452	0.9
58.65303	0.4
59.01249	13.3
60.78784	0.4
60.99153	1.1
61.98705	3.3
69.67916	0.4
69.69576	0.4
71.01252	10.5
71.04878	1.6
72.99153	1.1
73.02802	1.7
78.95775	1.1
81.03304	0.6
83.01249	0.7
83.04890	0.4
85.02819	2.7
87.00753	0.8
88.98634	1.0
89.02317	6.7
89.03783	0.5
93.03323	0.5
95.01258	0.6
99.00750	1.3
101.02308	4.5
102.86545	0.4
105.03349	0.7
113.02332	3.0
116.92770	0.4
117.03355	1.2
119.03386	1.9
119.04901	0.9
131.03412	0.6
133.02838	2.7
135.04395	1.0
145.02856	2.8
147.04388	0.6
149.02351	0.5
152.99489	0.5
161.02309	2.7
161.04405	1.4
163.03903	1.2
177.01852	20.9
178.02153	1.2
179.03381	1.5
179.05534	0.9
209.11873	0.6
210.62064	0.4
227.23894	0.5
234.60577	0.4
236.30310	0.5
255.23360	0.4
265.07098	0.6
307.08325	0.5
317.30899	0.4
409.31018	0.7
419.29395	0.8
421.27469	0.5
437.30585	8.3
438.30908	0.9
455.25473	0.3
455.31586	7.6
456.31866	1.2
469.33292	0.8
487.34271	0.7
509.68878	0.5
517.31671	6.7
518.31866	1.4
605.40411	1.7
649.35950	100.0
650.36353	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	649.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03073	0.8
62.96254	1.0
69.51292	5.9
78.95778	79.7
83.04919	2.7
93.86147	1.0
96.96838	8.4
101.76603	0.8
104.61068	0.8
109.06464	1.4
110.98418	3.6
125.09590	1.2
136.58871	1.0
150.97943	2.1
152.99492	100.0
153.99893	2.2
163.11205	2.7
167.01077	1.8
171.00626	2.0
171.10197	2.1
181.12143	1.2
199.09709	1.3
205.13638	1.0
207.10213	4.4
209.11783	24.0
210.12117	1.2
225.11295	8.5
227.12801	3.0
255.23302	16.8
363.11920	5.1
381.13171	34.8
382.13547	2.8
395.14658	5.6
413.15817	26.2
414.16205	2.7
423.25272	1.9
617.34430	6.6
627.20422	1.0
631.36530	1.7
649.37164	12.9
650.37598	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61076	0.3
57.96406	0.4
59.01257	0.4
61.98698	0.9
78.95776	0.6
105.03360	0.6
117.03326	2.9
121.02833	1.4
132.02075	1.0
133.02852	23.4
134.03697	2.1
135.04419	9.2
137.02354	1.6
139.03937	0.5
145.02847	0.9
150.03101	0.6
161.02353	73.6
162.02686	3.5
171.10222	0.4
178.02625	0.7
179.03395	2.7
352.10153	0.4
352.39667	0.4
429.09119	0.4
471.34970	0.5
487.34406	0.6
587.37323	0.7
605.38959	2.9
606.38586	0.7
631.36401	0.9
649.37463	100.0
650.37750	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	649.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51672	0.5
69.52079	1.0
73.52810	0.3
78.04836	0.3
98.19798	0.5
117.03351	25.4
118.03680	0.7
119.04921	5.9
120.05289	0.3
121.02831	0.6
125.61678	0.3
132.70291	0.2
145.02858	100.0
146.03181	3.9
163.03922	5.5
164.04170	0.3
166.07770	0.2
190.99992	0.3
255.07175	0.3
437.30539	0.4
485.32730	0.4
501.32205	0.4
605.37958	0.4
631.36761	0.4
649.37463	65.6
650.37811	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	649.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73288	0.2
61.98699	0.8
69.62232	0.2
71.01266	0.3
71.04893	0.3
71.23160	0.3
71.23510	0.3
75.28204	0.2
75.68270	0.2
83.04977	0.2
89.03883	0.2
117.03349	25.3
118.03698	0.8
119.04932	5.0
121.02837	0.5
145.02855	100.0
145.79752	0.2
146.03185	4.2
163.03928	4.4
165.01840	0.2
216.32541	0.2
266.56329	0.2
344.40683	0.2
423.32593	0.5
467.31387	0.4
469.33109	0.6
483.31332	0.3
485.32880	0.6
487.34271	6.0
488.34933	1.1
501.32327	0.3
631.36798	0.5
649.37445	66.8
650.37817	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	649.3954
Annotation	Sutherlandioside C
Peak:m/z	Relative Intensity
55.01752	0.7
57.03310	0.7
58.00457	0.2
59.00963	0.3
59.01253	5.6
61.98708	3.4
69.03333	0.2
71.01252	7.1
71.04867	0.4
71.43697	0.2
72.99175	0.5
73.02822	2.6
76.08435	0.2
78.95759	0.5
83.01257	1.7
85.02824	3.9
87.00741	0.6
89.02330	1.3
95.01254	0.5
99.00757	0.9
101.02328	7.0
113.02323	2.6
119.03381	0.3
126.43926	0.2
145.02870	0.4
159.02876	0.3
161.02257	0.3
161.04437	0.8
171.10220	0.3
209.11763	0.3
239.11784	0.2
264.45712	0.3
427.32156	0.5
469.33353	0.9
487.34311	14.1
488.34604	2.6
489.13126	0.3
589.36737	0.3
631.38379	5.6
632.38721	1.0
649.39557	100.0
650.39899	22.5
650.51324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3958
Annotation	Sutherlandioside C
Peak:m/z	Relative Intensity
55.01753	1.2
56.33074	0.2
57.03320	0.9
58.00450	0.5
59.01248	8.7
60.01560	0.2
61.57666	0.1
61.98679	0.5
69.79342	0.8
71.01250	8.6
72.99170	0.6
73.02814	3.5
83.01253	2.4
85.02822	4.9
87.00744	0.6
87.97144	0.2
89.02319	2.1
95.01249	1.0
97.02825	0.2
97.14680	0.2
99.00758	1.3
101.02320	10.1
101.59798	0.2
105.01814	0.2
111.00703	0.3
113.02326	2.8
113.09225	0.2
119.03349	0.7
129.01794	0.2
143.03383	0.2
145.02815	0.2
150.32260	0.2
159.02901	0.3
160.52739	0.2
161.04422	0.7
163.42546	0.2
168.15604	0.2
351.81500	0.2
393.31293	0.2
423.32660	0.2
423.58655	0.2
425.34906	0.2
427.32111	0.3
469.32986	1.1
487.34247	0.2
515.33240	0.2
587.39496	0.3
631.38354	0.6
649.39520	100.0
650.39874	19.0
674.09784	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3965
Annotation	Kolokoside A
Peak:m/z	Relative Intensity
55.01764	4.2
57.03324	3.2
58.00462	1.1
59.01257	18.3
61.98704	1.1
69.03345	0.7
70.52476	0.4
70.52834	1.4
71.01259	46.4
72.01611	1.0
72.99189	2.2
73.02824	15.5
75.00737	1.2
83.00808	0.7
83.01265	7.8
85.02828	24.8
85.92064	0.4
85.99966	1.9
87.00764	2.4
89.02313	5.3
90.02692	0.4
95.01269	4.1
97.02842	1.5
97.20670	0.4
99.00770	6.4
101.02332	35.8
111.00766	1.7
113.02343	17.7
117.03365	0.5
119.03389	1.7
125.02335	1.5
129.01871	0.8
131.03333	0.5
133.02853	0.5
135.04459	0.5
143.03412	1.6
145.02843	1.1
159.02911	3.5
161.02354	1.1
161.04485	22.5
162.04810	0.7
177.01942	0.6
179.03424	0.6
179.05540	0.9
180.60504	0.5
186.57333	0.5
205.03497	1.1
208.80978	0.5
209.11743	0.6
292.14484	0.4
341.10242	0.5
420.08984	0.4
443.35330	1.8
475.34439	0.6
487.34369	5.2
488.34274	0.6
599.64844	0.4
605.40625	100.0
606.40967	17.8
606.51013	0.6
649.39795	7.4
650.39087	1.4
655.85358	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72333	0.3
55.01760	1.2
57.03315	1.3
58.00465	1.2
59.01252	20.4
61.98707	2.2
69.61738	0.8
69.62141	1.5
71.01254	19.7
72.99180	1.5
73.02813	5.5
75.00746	0.8
78.95771	0.4
83.01249	3.1
85.02821	9.5
87.00751	1.6
89.02318	7.5
95.01258	1.4
96.95874	0.7
97.02843	1.1
99.00763	2.2
101.02325	16.1
111.00768	1.3
113.02322	8.5
113.03074	0.7
116.92730	1.2
119.03411	2.5
119.04915	0.5
119.11652	0.4
125.63294	0.4
125.68377	0.4
129.01810	0.4
133.02821	0.9
135.04414	0.9
137.02327	0.7
139.03914	0.5
143.03397	0.9
145.02812	1.0
159.02913	1.7
161.02351	1.8
161.04478	5.9
177.01875	0.8
177.05376	0.5
179.03456	1.4
179.05414	0.7
201.11421	0.5
209.39606	0.4
263.97824	0.4
271.46243	0.4
402.11899	0.4
469.33170	3.3
470.33499	0.8
483.25070	0.4
487.34293	14.6
488.34875	2.7
491.24716	0.4
517.32159	0.4
605.40558	16.4
606.41150	4.1
649.39557	100.0
650.39862	24.7
650.51129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1203
Annotation	Luteolin 3'-methyl ether 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
54.07092	0.3
55.01751	0.7
57.03323	1.8
57.87200	0.4
58.00454	0.5
59.01251	12.5
67.01774	0.4
68.99656	0.4
69.03332	0.5
71.01254	21.3
71.38650	0.4
72.01590	0.4
72.99181	16.2
73.02814	3.7
74.07095	0.3
75.00745	8.7
75.01146	0.7
83.01251	2.5
84.02026	0.5
85.02826	19.8
86.03176	0.4
87.00756	4.5
89.02314	3.8
95.01263	5.0
99.00755	7.3
101.02316	3.9
101.17114	0.3
103.00249	5.4
111.00761	0.4
113.02332	30.7
114.02644	0.6
115.00249	2.6
117.01856	1.9
129.01781	1.7
131.03383	2.4
133.01323	1.3
133.02824	0.5
139.00279	0.5
145.49252	0.3
157.01309	1.5
175.02399	9.5
193.03468	22.1
194.03734	0.6
235.04562	1.1
256.03677	1.4
263.04095	0.5
278.66388	0.4
284.03247	9.8
285.03979	5.8
286.04443	0.5
289.05698	4.2
298.04886	0.9
299.05606	9.7
300.05984	0.9
307.06769	0.6
333.04544	1.9
341.06595	1.8
351.05664	100.0
352.05991	6.9
402.09073	0.3
517.10120	1.9
633.11536	0.4
651.11926	4.2
652.12433	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83520	0.5
52.21882	0.4
55.01748	1.3
57.03327	3.2
58.00465	1.0
59.01251	17.9
68.99707	0.5
69.03333	0.7
71.01250	34.4
71.28191	0.8
72.01583	0.6
72.99178	23.8
73.02816	4.4
75.00742	14.8
75.01129	0.3
83.01257	5.1
85.02821	29.7
86.03139	0.6
87.00751	7.2
89.02319	6.0
93.49724	0.4
95.01266	7.7
97.02824	0.8
99.00752	12.6
101.02335	5.3
103.00246	9.0
103.03837	0.5
111.00775	0.8
113.02328	46.9
114.02686	1.2
115.00249	4.5
117.01802	2.8
129.01834	2.4
131.03392	4.4
133.01318	2.1
133.02817	0.5
135.04382	0.5
139.00255	1.0
157.01337	1.9
159.02887	0.5
161.02350	1.5
163.02388	1.4
175.02394	9.2
179.03369	1.1
181.35500	0.5
193.03461	24.4
194.03824	0.9
206.37233	0.5
235.04539	1.6
256.03757	1.9
284.03259	14.3
285.03973	7.7
289.05746	3.7
298.04858	1.6
299.05591	12.8
300.05972	1.1
307.06723	0.8
311.44180	0.5
333.04626	2.7
341.06552	1.4
351.05661	100.0
352.06009	8.7
440.11279	0.5
517.10150	1.1
526.01886	0.6
651.11658	4.0
652.12292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1933
Annotation	Aeschynanthoside D
Peak:m/z	Relative Intensity
50.99050	0.7
55.01751	0.7
57.03299	3.2
59.01260	10.4
61.98682	0.9
69.43864	1.7
69.44279	3.3
71.01254	18.0
72.99180	1.2
73.02824	1.4
83.01261	0.9
85.02824	25.3
87.00738	1.0
89.02297	4.2
89.03867	1.0
95.01276	9.4
95.04829	0.7
96.81165	0.7
101.02329	2.7
105.03304	1.1
107.04926	1.2
107.98901	0.8
108.52744	0.7
113.02334	42.6
117.03340	1.3
117.95802	0.7
119.04932	1.7
129.13596	0.9
132.02046	2.6
133.02850	47.2
134.03699	3.7
135.04414	55.5
136.04724	2.5
151.03874	2.5
161.02350	83.3
162.02684	4.4
163.03925	47.5
164.04262	3.3
179.03432	31.2
180.03790	2.4
181.04987	5.9
248.68506	0.8
343.10440	1.0
489.16101	27.4
490.16388	3.0
528.12323	0.8
623.91040	1.0
651.19281	100.0
652.19568	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	651.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67510	0.2
55.01754	0.2
55.97998	0.2
57.03311	0.6
58.00465	0.3
59.01249	6.9
64.97908	0.2
69.49165	0.2
69.49492	1.5
71.01254	6.3
72.99152	0.3
73.02819	0.6
78.38664	0.2
83.01256	0.4
85.02821	5.8
87.00757	0.4
89.02311	3.1
89.03840	0.5
95.01262	1.8
98.20535	0.4
101.02308	1.8
103.03922	0.4
113.01531	0.5
113.02332	9.5
117.03340	1.3
119.03383	1.1
121.02856	0.5
122.03577	0.4
131.03404	0.2
132.02066	16.2
133.02791	0.8
134.03625	15.5
135.04486	1.3
137.06010	0.6
143.03410	0.7
147.00874	0.3
147.77238	0.2
149.02361	0.5
149.05998	2.1
152.04691	1.1
160.01567	61.1
161.01978	3.0
161.04414	1.2
167.07054	2.4
175.03920	100.0
176.04263	5.6
178.02687	0.8
179.03404	2.7
193.04985	12.7
194.05290	0.8
329.12350	1.0
331.87119	0.2
457.17166	0.8
475.18146	5.4
476.18515	0.7
487.15881	0.3
505.17203	0.7
651.22919	25.4
652.23364	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	651.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20525	0.5
55.01754	0.5
57.03315	1.0
58.00445	0.6
59.01253	13.4
60.01588	0.4
61.98693	1.2
71.01260	12.3
71.01658	0.6
72.99187	0.8
73.02821	1.2
82.20913	0.4
83.01247	1.1
85.02830	8.9
87.00732	0.9
88.98700	1.1
89.02323	5.3
93.03277	0.5
95.01262	3.6
96.60250	0.4
98.20629	0.8
99.00752	0.7
101.02331	3.6
101.10346	0.5
102.15792	0.4
113.02330	17.7
117.03355	2.2
117.51792	0.5
119.03382	1.1
121.02831	0.7
121.78186	0.5
125.02258	0.6
131.03311	0.6
132.02069	16.3
133.02881	3.7
134.03632	26.7
135.04469	4.3
137.02341	1.5
143.03386	0.8
145.02924	0.7
147.04385	0.7
149.05986	5.4
152.04625	0.7
160.01572	74.1
161.02338	10.6
161.04433	0.9
163.03836	0.8
167.07063	2.4
175.03926	100.0
176.04233	4.9
178.02678	2.3
179.03410	5.9
191.07047	1.1
193.04996	21.2
194.05280	1.0
235.06158	0.7
244.07103	0.5
265.07117	3.1
337.09311	1.6
475.18314	4.9
487.15909	1.1
505.17215	3.8
651.22974	60.3
652.23358	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	651.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23345	0.4
59.01254	2.3
70.53368	1.1
71.04897	1.5
78.91441	0.4
93.03329	0.9
108.02031	0.6
110.85124	0.5
117.03350	14.5
118.03691	0.5
119.04918	36.6
120.05263	2.0
121.02845	97.7
122.03183	4.1
123.04397	0.8
133.02849	0.9
133.27075	0.5
135.04414	5.3
145.02856	65.0
146.03209	2.6
161.02281	0.8
162.03113	0.5
163.03917	10.7
179.03392	1.5
181.05020	2.9
252.80672	0.5
258.91571	0.5
391.30026	0.6
407.33331	0.6
449.12222	0.5
451.32117	1.0
469.33389	2.2
487.34323	1.2
495.31174	0.8
513.32202	16.3
514.32471	3.3
529.35461	1.1
544.69427	0.5
571.38153	1.0
589.38971	6.4
590.39331	1.1
615.37012	2.0
633.37952	100.0
634.38318	24.7
651.39026	45.8
652.28577	1.0
652.39349	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	651.4115
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
53.50433	0.7
56.50270	0.5
58.00460	0.8
59.01250	11.3
61.98705	3.1
61.98972	0.5
62.33936	0.5
71.01257	13.5
72.99203	0.8
85.02853	1.4
87.00737	1.0
89.02322	18.0
93.93010	0.5
98.20596	1.1
101.02328	5.0
113.02343	4.0
117.45056	0.6
119.03405	2.9
131.03387	1.5
135.04404	0.7
142.08368	0.6
143.03416	2.1
149.04472	0.7
158.07693	0.6
161.02411	0.8
161.04489	1.8
163.92871	0.6
179.03491	0.5
179.04016	0.8
179.05550	8.9
181.84915	0.5
187.04666	0.6
207.77788	0.6
229.68561	0.8
256.93875	0.6
268.26004	0.6
306.83948	0.5
331.24600	0.7
333.17825	0.6
417.08743	0.8
425.92923	0.7
463.67108	0.7
464.16898	0.6
471.34787	100.0
472.35138	18.8
651.41174	0.7
656.60468	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4113
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
51.70096	0.4
58.00486	0.8
59.01252	9.8
60.78536	0.4
61.47676	0.4
61.98703	6.2
71.01257	12.6
71.51968	0.6
72.99174	0.7
83.01219	0.5
85.02831	1.4
87.00784	0.8
89.02319	15.3
95.01261	0.4
101.02322	5.2
104.92688	0.5
113.02351	3.2
119.03396	2.4
131.03439	0.9
133.02805	0.4
143.03404	1.5
149.04436	0.8
152.99567	0.4
157.31253	0.4
161.02351	0.6
161.04457	1.6
175.03932	0.5
179.03365	0.9
179.03737	0.8
179.05536	8.6
180.05956	0.6
423.32993	0.5
471.34790	100.0
472.35123	17.9
620.41833	0.4
651.24481	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4119
Annotation	Bryonioside D
Peak:m/z	Relative Intensity
52.63733	0.4
55.01760	2.6
57.03334	2.5
58.00456	1.1
59.01254	15.1
61.54310	0.4
61.98701	2.9
62.24458	0.4
65.88654	0.4
71.01255	23.5
72.97396	1.8
72.99174	1.8
73.02826	8.9
74.98970	0.7
75.00745	1.2
78.95761	1.0
83.01263	6.2
85.02824	16.6
85.99957	1.4
87.00748	1.9
88.98681	1.2
89.02321	4.1
95.01268	2.5
97.02866	0.7
99.00764	4.0
101.02329	19.3
101.03008	0.9
105.01808	0.5
109.02835	0.6
109.57384	0.4
111.00761	0.8
113.02332	10.7
119.03390	1.4
125.02335	0.6
129.01796	0.7
131.03423	0.5
132.02055	0.5
133.02856	5.9
134.03621	1.4
135.02881	0.6
135.04422	13.8
136.98946	0.5
137.02325	1.0
143.03380	0.8
145.02844	1.1
149.02348	0.7
151.03896	0.5
152.99568	0.7
156.46735	0.5
159.02917	0.8
160.01527	1.1
161.02367	11.4
161.04422	3.7
162.02678	0.8
174.91599	0.5
175.03966	0.7
177.01706	0.5
178.02560	0.7
179.03433	17.5
180.03841	0.8
193.05045	0.8
209.11795	1.9
245.04341	0.5
251.05611	0.6
276.69473	0.4
314.41861	0.5
351.05627	0.7
415.21243	0.6
427.36035	0.5
445.36905	0.5
489.35269	1.6
554.20160	0.7
607.28387	0.5
607.42084	0.9
651.18549	2.0
651.41119	100.0
652.20776	0.8
652.41418	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	653.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02571	1.0
57.03322	3.5
59.01254	21.8
63.02267	1.6
65.00198	3.9
67.01752	1.6
71.01254	38.1
72.01615	1.3
72.99178	27.3
73.02814	6.1
75.00749	14.8
79.63109	1.0
83.01266	8.2
85.02823	32.3
87.00732	8.3
89.02316	6.5
93.03338	3.0
95.01256	11.5
97.02837	1.9
98.20570	2.7
99.00753	14.6
101.01299	1.1
101.02302	5.6
103.00249	7.7
107.01279	5.0
107.75017	1.0
108.28573	1.1
109.02813	2.5
111.00767	17.0
113.02333	48.6
114.02660	1.1
115.00275	5.3
117.01795	1.8
117.03342	3.1
121.02839	1.4
123.00768	1.5
123.32078	1.1
125.02351	6.1
129.01855	2.4
131.03377	2.3
133.01286	2.7
133.02847	4.2
135.00690	1.2
135.04422	3.7
137.02327	2.5
139.00281	30.0
140.01097	6.7
149.02361	10.3
151.00281	15.1
151.03833	1.1
152.01048	1.9
153.01819	5.3
157.01314	2.6
159.04451	1.8
161.02345	3.1
163.00327	7.6
165.01776	2.5
175.02434	8.4
175.03844	1.9
177.01884	2.4
178.99814	2.9
181.01324	10.9
183.04475	1.6
187.03949	1.3
191.03392	1.1
193.01620	2.4
193.03474	22.3
201.05582	2.1
207.99985	1.6
211.03943	2.1
213.05576	1.2
215.03503	2.0
227.03419	1.7
229.05040	2.7
235.04491	1.5
239.03477	1.4
245.04663	5.7
255.02988	12.0
256.03375	1.5
257.04578	4.5
268.03796	3.0
269.04553	3.4
273.04099	6.5
275.03549	1.3
283.02499	12.0
284.03250	7.4
285.04025	2.4
289.05728	3.3
297.25723	1.3
300.02588	2.4
301.03531	100.0
302.03986	8.8
333.04672	2.5
343.04556	2.9
351.05664	76.9
352.06070	4.6
533.07941	3.4
534.69684	1.2
653.10065	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	653.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81717	0.9
59.01252	6.7
61.79312	1.0
65.00195	1.2
69.71299	5.7
70.57837	1.0
70.99911	0.9
71.01255	14.3
72.99179	11.3
73.02818	2.4
75.00754	7.0
83.01264	2.4
85.02827	14.0
87.00759	2.8
89.02301	3.6
91.96300	1.1
95.01251	3.6
99.00755	6.3
101.02315	1.5
103.00261	3.5
107.01264	1.1
111.00755	1.9
113.02332	20.5
115.00229	1.8
129.01833	1.6
131.03479	1.1
133.02829	3.6
133.97012	1.0
135.04433	1.7
137.02339	1.1
139.00279	2.8
149.02327	4.7
151.00305	5.1
161.02354	1.2
165.01888	1.2
166.99892	1.3
175.02396	6.0
189.93909	1.2
193.03467	12.4
219.85565	1.0
235.04614	1.2
255.02980	5.1
283.02423	5.8
285.03992	1.5
300.02832	2.0
301.03525	100.0
302.03848	7.4
333.04495	2.8
343.04578	1.6
351.05676	65.1
352.05917	4.7
353.06412	2.1
653.09839	14.0
654.10236	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	653.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.5
59.01240	1.7
69.42539	3.5
71.01246	3.0
82.26134	0.6
85.02837	2.9
89.02327	1.1
95.01266	1.1
107.04861	0.7
109.02857	0.8
113.02329	8.7
115.20055	0.6
116.27673	0.6
116.29782	0.6
123.04411	6.9
132.02063	1.4
133.02846	24.2
134.03455	0.9
135.04414	30.1
136.04745	0.9
150.03108	5.7
151.03912	15.9
152.04295	0.8
157.05125	0.5
161.02345	100.0
162.02673	5.3
179.03419	62.0
180.03743	3.9
245.04578	0.7
377.74329	0.7
403.83655	0.8
459.14926	6.1
460.15295	0.9
469.13348	0.8
487.14670	4.8
488.14987	1.4
621.18207	35.6
622.18567	8.2
653.20844	13.4
653.30927	1.2
654.21631	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	2.0
69.35020	0.9
71.01260	4.2
71.38937	1.1
83.58396	0.7
83.70852	0.8
85.02820	4.9
89.02301	0.8
91.19946	0.9
95.01278	1.4
105.03350	0.9
109.02839	1.5
113.02331	7.4
117.03375	1.0
122.03654	1.3
123.04423	10.7
132.02061	1.7
133.02855	36.9
134.03680	1.5
135.04422	43.2
136.04788	1.8
142.73210	0.9
150.03157	7.3
151.03929	16.7
160.01627	1.1
161.02356	100.0
162.02707	4.4
175.03947	1.0
179.03426	65.3
180.03697	3.9
193.04955	1.0
215.01038	0.7
251.05621	1.3
296.45667	0.9
325.09396	1.2
337.09198	1.5
459.15079	9.7
460.15234	1.6
469.13516	1.7
487.14554	7.9
488.15112	1.3
621.18262	67.5
622.18585	12.3
653.20752	25.3
654.21179	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	653.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.5
71.01258	4.6
71.32146	1.1
80.55716	0.6
85.02827	5.1
86.67363	0.6
89.02322	0.8
94.33286	0.6
95.01281	1.4
95.18306	0.6
101.02335	0.8
105.03358	1.1
109.02831	1.1
113.02333	7.3
117.43824	0.8
123.04420	7.9
132.02055	2.5
133.02858	37.7
134.03587	1.4
135.04413	39.2
136.04778	0.9
137.02359	1.0
149.02347	1.4
150.03130	7.8
151.03920	17.1
161.02354	100.0
162.02718	5.0
168.63307	0.6
179.03426	55.3
180.03787	3.0
189.05505	0.8
203.03471	0.7
393.98126	0.7
459.15222	4.8
469.13278	1.0
487.14349	5.2
491.17529	0.6
550.21326	0.6
621.18231	39.4
622.18604	6.5
653.20770	15.0
653.30847	1.2
654.21027	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	653.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.6
59.01250	6.7
59.01537	0.4
60.00948	0.3
61.98714	1.4
71.01256	5.4
71.52935	0.4
72.99190	0.5
73.02808	1.3
79.64068	0.2
83.01272	0.7
85.02828	3.1
86.08057	0.3
87.00744	0.3
89.02309	3.1
89.02751	0.3
91.05393	0.3
93.03352	1.0
95.01255	1.6
96.95915	1.1
97.02889	0.4
99.00780	0.3
99.04417	1.0
101.02313	2.9
101.11510	0.2
102.51289	0.3
113.02330	6.2
113.03073	0.4
117.03329	0.4
119.04914	100.0
120.05240	4.0
121.10192	0.3
123.04426	0.5
131.03429	0.3
133.02855	1.4
135.04427	1.9
137.02341	1.0
143.03403	0.8
145.02847	0.5
149.04453	0.3
151.03885	0.5
159.02705	0.4
161.02354	4.5
161.04443	1.5
162.02760	0.3
162.90796	0.3
163.03915	71.1
164.04242	3.8
173.06020	0.3
179.03448	2.5
179.05530	1.0
187.07512	0.4
201.05496	0.9
202.06300	0.5
203.06996	0.2
207.13841	1.1
209.11774	3.5
221.06726	0.3
225.14903	0.5
229.08629	1.2
230.09396	2.5
251.12744	0.5
269.13922	7.4
270.14093	0.6
298.12064	0.3
311.15012	0.4
325.09256	0.6
327.14600	0.9
341.15756	0.3
345.15533	7.4
346.15671	0.5
353.15823	0.3
369.15613	0.4
371.16971	1.2
375.20081	0.4
387.16412	0.4
413.17920	0.5
431.19238	6.5
432.19366	0.7
456.18771	0.3
473.27585	1.4
489.19354	0.9
515.13202	0.3
611.31989	0.4
621.18488	1.2
635.26398	0.3
653.24377	12.1
654.24652	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	653.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18588	0.5
55.01766	0.9
57.03331	4.7
57.43446	0.5
59.01255	9.4
61.98697	2.4
69.34401	4.3
71.01259	29.1
72.99190	1.1
73.02830	0.7
74.57306	0.6
78.95755	0.6
83.01252	1.5
84.02060	0.8
85.02824	33.0
87.00748	1.2
89.02324	6.3
95.01266	14.2
95.81676	0.6
96.01604	0.6
99.00762	0.8
101.02316	1.4
107.55519	0.5
113.02334	72.0
114.02665	1.8
130.04153	1.3
131.03383	1.3
131.04865	0.5
132.01997	0.6
133.02893	3.1
135.04445	3.0
137.02379	0.8
143.03418	3.5
143.04987	0.7
144.05719	0.8
144.13695	0.6
145.02838	2.0
145.06462	1.7
146.03642	1.2
147.04414	0.9
150.03162	1.7
155.04884	1.1
157.06372	0.8
158.03624	5.3
158.07266	1.7
159.04411	3.8
159.08017	2.0
161.02408	8.4
161.04453	24.6
162.04861	1.0
163.06097	1.1
163.07518	1.0
172.05203	5.8
173.05977	8.7
173.09567	2.8
174.03061	3.1
174.06709	3.2
175.03922	1.1
175.07591	1.3
179.03407	2.9
183.04440	0.8
184.05060	0.6
185.06006	1.2
186.06824	3.9
187.03961	4.6
187.07564	16.6
188.07924	1.1
200.04739	4.6
201.05511	40.1
201.09158	9.4
202.06247	8.8
202.09570	0.7
203.07091	7.3
211.07632	0.7
214.06284	0.7
215.07086	2.6
218.05740	0.8
228.07947	1.6
229.08675	27.7
229.96379	0.6
230.09442	100.0
231.09856	7.3
246.09023	1.1
247.09698	5.7
270.18506	0.7
311.54745	0.6
325.11340	0.9
327.15900	0.6
349.30487	0.6
555.20844	7.5
556.21429	7.9
557.22095	1.6
593.32062	0.8
653.20691	1.9
653.33813	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16523	0.5
55.01749	0.6
57.03328	3.7
58.00471	0.7
59.01253	9.0
61.98700	0.6
67.01766	0.5
71.01251	29.1
72.01588	0.7
73.02816	1.0
79.73282	0.5
83.01258	1.9
85.02821	31.6
86.03165	0.9
87.00748	1.2
89.02322	6.5
90.09753	0.5
95.01261	13.7
97.91744	0.5
98.19756	1.2
99.00787	0.8
101.02322	1.7
103.03851	0.7
108.48448	0.5
113.02330	70.7
114.02694	1.6
129.07051	0.6
130.04147	1.2
131.03438	1.1
133.02846	1.8
135.04410	1.8
135.66577	0.5
143.03397	3.0
145.02847	1.4
145.06487	2.1
146.03654	1.2
147.04416	1.0
149.02376	0.7
150.03119	0.8
157.06450	0.7
158.03647	5.2
158.07288	1.5
159.04472	3.3
159.08046	2.0
161.02448	4.1
161.04460	25.3
162.04776	0.6
163.06023	0.9
163.07532	1.0
172.05240	4.9
173.05992	9.2
173.09613	2.2
174.03160	2.7
174.06750	3.3
175.03937	1.0
175.07599	1.0
179.03424	1.7
183.04393	1.0
184.18948	0.6
185.06038	0.6
186.03133	0.9
186.06773	3.2
187.03993	2.6
187.07562	18.1
188.08063	0.8
197.06142	0.6
198.77367	0.5
200.04779	3.4
201.05507	42.8
201.09084	9.5
202.06151	6.2
202.09439	0.6
203.07109	5.0
204.07442	0.7
207.10130	0.9
209.11829	1.4
215.07091	2.1
228.07884	2.1
229.08655	23.8
229.22545	0.9
229.68709	0.6
230.09435	100.0
231.09822	8.1
246.08716	0.7
247.09729	4.7
511.17831	0.6
533.96899	0.6
555.20813	4.6
556.21515	7.7
557.22314	1.2
577.39343	0.6
635.30292	1.0
653.20239	0.9
653.30658	2.5
682.38062	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36930	0.6
55.01772	1.1
57.03327	4.0
58.00434	0.9
59.01254	15.1
61.98707	1.2
71.01256	30.7
71.09441	0.8
72.99174	1.0
73.02834	1.2
77.97636	0.6
82.94427	0.6
83.01252	1.8
84.02068	0.9
85.02828	37.2
87.00761	2.2
89.02322	9.9
93.77308	0.6
95.01265	14.7
97.02821	1.0
99.00752	1.4
100.52280	0.6
101.02336	5.3
109.06517	1.0
113.02332	77.1
114.02685	1.5
119.03407	1.6
125.09635	0.9
129.06906	0.8
130.04118	1.3
131.03395	1.6
133.02847	2.2
135.04410	3.0
143.03365	3.5
143.05002	0.9
145.02846	2.3
145.06566	3.1
145.51106	0.6
146.03639	0.8
147.04434	0.8
148.05078	1.0
150.03189	1.2
155.04878	0.7
158.03642	5.3
158.07225	1.2
159.04382	2.5
159.08063	2.4
161.02434	6.7
161.04466	23.8
161.05832	1.5
162.02719	0.9
162.04752	0.7
163.06038	1.0
163.07500	0.8
163.11223	1.2
171.10196	1.0
172.05235	6.1
173.06017	9.6
173.09587	2.2
174.03163	2.5
174.06746	4.0
175.07600	0.8
179.03404	3.8
183.04414	1.4
185.11754	0.8
186.06775	3.0
187.03940	2.9
187.07578	15.8
188.08035	1.3
200.04742	3.2
201.05518	45.6
201.09135	9.1
202.06236	6.2
203.07111	4.8
207.10187	2.0
209.11847	6.6
211.07610	0.8
214.06285	1.2
215.07124	2.1
225.11269	2.8
228.07841	1.8
229.08659	23.4
230.09441	100.0
231.09863	7.9
235.08156	0.8
247.09717	4.7
275.20297	0.9
293.21109	4.3
393.72806	0.6
399.22308	0.7
417.22668	1.6
435.23834	1.0
437.25406	0.9
451.09564	0.7
455.26520	42.1
456.26953	4.9
555.21014	5.0
556.21527	8.2
557.22668	0.9
635.30450	2.2
653.30975	7.2
653.41034	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	653.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.7
57.03340	3.8
59.01252	10.4
61.98687	1.3
71.01252	30.6
71.07323	1.2
71.09981	0.7
71.53259	0.7
73.02840	1.0
83.01282	0.9
83.22797	0.8
84.02035	1.0
85.02825	35.4
86.03163	1.1
87.00734	1.2
89.02311	6.3
95.01265	16.3
95.18323	0.7
99.00770	1.9
101.02335	2.3
113.02335	81.3
114.02666	1.8
130.04117	1.8
131.03467	0.8
133.02867	3.0
135.04408	3.2
136.04825	0.8
143.03391	4.2
145.02863	0.9
145.06509	2.0
146.03653	1.1
147.04414	1.0
150.03116	2.1
151.03853	0.8
157.70468	0.7
158.03662	5.6
158.07304	1.1
159.04469	3.8
159.08083	3.2
161.02428	10.6
161.04465	28.2
161.05836	1.6
162.02684	0.8
163.06065	1.1
163.07503	1.4
172.05197	6.5
173.05997	10.6
173.09647	2.9
174.03165	3.2
174.06778	3.6
175.07516	1.7
179.03477	4.5
180.03664	1.2
183.04431	1.5
185.06027	1.5
186.06752	4.2
187.03955	5.0
187.07573	17.7
188.08134	0.9
199.03893	1.0
200.04741	6.3
201.05511	43.1
201.09142	10.6
202.06236	8.3
202.09465	1.0
203.07088	8.6
209.11766	1.5
214.06175	0.8
215.07137	2.2
228.07857	1.7
229.08672	33.0
230.09445	100.0
231.09879	9.7
246.08958	1.5
247.09726	7.8
257.08124	1.3
511.17380	0.8
555.20715	9.0
556.21716	9.5
557.22101	2.1
653.20978	3.2
653.30902	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	2.5
57.03296	2.5
58.00444	1.6
59.01252	45.4
60.21682	1.1
60.29863	1.1
61.98705	20.4
71.01255	35.9
71.01630	1.2
71.52561	1.3
72.99149	3.9
73.02776	5.4
73.30553	1.1
75.00700	1.4
81.03294	1.6
83.01218	4.4
85.02826	29.0
87.00714	3.0
88.98628	1.4
89.02318	12.6
93.03341	37.1
95.01273	10.5
97.02747	3.9
99.00703	2.9
101.02321	19.3
105.03220	1.3
107.04849	1.8
109.02804	1.4
113.02332	41.4
114.02610	1.7
117.03313	1.8
119.03288	2.3
119.04872	5.9
121.02792	4.5
122.95097	1.3
123.04430	6.0
125.02246	3.1
131.03203	1.2
132.02019	2.6
133.02846	29.3
134.03563	2.3
135.04420	34.3
136.01550	5.7
136.04707	1.8
137.02342	76.1
138.02596	2.3
143.03322	2.9
145.02748	2.8
149.02280	3.2
149.05873	2.3
150.03192	6.5
151.03928	12.5
159.04317	1.2
161.02357	80.6
161.04350	12.6
162.02753	6.4
163.03899	6.1
165.01755	2.4
173.05939	1.4
175.03665	1.3
178.02516	1.3
179.03415	60.0
179.04932	2.1
180.03601	4.9
187.03740	1.2
187.07431	1.8
189.05373	1.3
193.01186	3.3
198.41327	1.3
200.04651	1.2
201.05518	7.4
201.09041	2.4
202.06032	1.5
203.06883	1.8
209.04355	2.6
221.06418	1.3
229.08644	7.7
229.10481	1.5
230.09441	16.0
231.09865	1.6
233.67648	1.2
239.05542	10.1
247.09583	2.1
251.05388	1.5
269.14078	1.5
298.11780	2.4
299.07437	1.4
315.94397	1.4
327.15747	4.0
331.89487	1.2
375.19971	1.5
407.26004	1.7
431.19080	1.8
431.25970	2.7
449.27374	2.2
459.14587	4.2
473.21252	4.8
473.27240	4.6
487.13858	3.5
491.28339	2.6
533.28662	3.7
551.30585	6.7
555.20349	2.1
556.20337	1.4
569.31201	2.5
593.31085	3.9
611.31769	4.2
621.18219	25.7
622.17841	4.1
623.21185	1.4
653.27527	100.0
654.28186	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	653.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.1
57.03312	3.3
59.01251	22.2
60.91628	0.9
61.98699	3.4
69.03339	9.9
70.70283	1.1
71.01256	16.2
71.04877	1.6
71.52218	1.7
72.99182	1.4
73.02812	3.6
78.95775	2.0
81.03354	2.2
81.04832	0.9
83.01252	3.1
83.04881	4.2
85.02816	6.3
87.00741	3.9
89.02318	9.0
93.03328	2.3
95.01250	2.9
95.04889	3.4
97.02835	10.5
97.06441	1.5
99.00732	2.1
101.01800	1.0
101.02337	12.7
106.04109	1.1
107.04893	2.2
109.06478	33.4
110.03609	1.9
111.08041	2.4
113.02330	11.9
117.03365	1.3
119.03366	1.8
121.02830	2.1
121.06441	2.7
121.10162	1.3
123.04392	2.3
125.02315	1.5
125.09682	1.7
133.02850	8.6
135.04445	7.0
135.08090	6.6
136.05101	2.3
142.02579	2.7
145.02812	1.2
145.04893	2.4
145.06488	1.0
145.10197	1.4
151.03922	1.6
153.09053	1.8
161.01097	1.5
161.02367	20.9
161.04460	4.3
161.09578	2.7
162.02600	2.0
162.06752	3.8
163.11188	19.9
165.09084	2.4
165.12761	7.8
171.10191	1.5
173.09555	1.0
177.09111	3.3
179.03421	10.3
179.05086	1.3
179.05516	1.2
179.10606	1.5
180.03714	2.4
181.12280	14.1
185.11697	4.2
185.13133	1.2
187.25874	1.1
189.09079	2.8
191.10699	13.8
201.05405	1.4
201.12766	1.1
207.10211	90.0
208.10503	6.2
209.11771	100.0
210.12115	6.0
211.13336	3.2
223.13278	3.4
224.13728	1.3
225.11273	47.8
226.11623	2.6
229.12439	1.4
230.09286	2.4
235.08253	6.4
245.11833	1.2
247.13303	1.6
249.11211	1.8
253.09265	12.7
271.34906	1.1
281.13852	1.8
299.15201	1.1
337.21655	2.7
353.21268	1.7
355.18903	2.7
355.22772	2.4
363.19641	1.8
371.22195	3.6
373.20044	1.6
381.20703	13.0
382.20651	1.1
389.23544	4.7
399.21765	22.2
400.22122	3.3
417.22754	10.9
443.19351	7.3
445.20679	7.0
450.67023	1.1
461.14243	1.7
461.20200	15.5
462.20367	2.0
499.27478	1.1
591.28943	1.3
607.30847	3.1
617.29681	6.0
618.29724	2.3
621.17792	2.4
626.00830	1.1
635.30688	38.2
636.30792	7.5
653.21100	3.4
653.31549	44.7
654.21893	1.9
654.31995	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	653.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.8
59.01255	4.4
61.98709	4.8
69.03326	1.9
71.01251	2.0
71.51621	1.1
78.95777	100.0
85.02831	2.4
95.04897	1.4
95.33754	0.7
96.95884	0.7
96.96848	9.3
109.06423	1.0
113.02321	2.1
125.02382	1.0
133.02849	1.2
134.98399	2.1
135.04398	1.1
141.09047	0.9
148.78604	0.8
150.97975	1.6
152.99492	67.8
161.02365	2.2
167.10684	1.8
171.00636	0.7
179.03488	2.0
179.14326	3.8
195.13846	12.3
196.14197	0.8
205.12270	7.4
211.13344	1.0
223.13356	43.6
224.13715	2.7
231.20947	0.9
255.23306	3.2
256.43610	0.7
275.20206	2.0
293.21240	32.5
294.21579	2.7
359.12631	29.7
360.13120	3.1
364.25699	0.8
377.13681	9.1
397.13412	1.1
429.20453	27.5
430.20703	2.2
447.21494	10.4
448.22324	1.1
497.67215	0.8
571.28802	1.7
653.34753	39.2
654.35016	7.8
683.76288	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.8
57.03325	0.9
58.00465	2.2
59.01253	40.9
60.01584	0.5
60.50938	0.2
61.98700	5.1
63.88326	0.3
69.03327	2.4
69.22395	2.7
71.01254	37.4
72.01593	0.4
72.99176	2.8
73.02821	6.4
75.00748	0.9
78.95775	2.8
81.03332	1.4
83.01254	3.9
85.02824	7.4
87.00751	9.0
89.02319	31.5
90.02639	0.5
91.03892	0.5
93.03358	0.3
95.01256	2.6
95.04900	0.3
97.02831	6.7
99.00758	2.4
99.04393	0.5
100.19016	0.3
101.02328	29.3
102.02671	0.9
103.00220	0.4
103.03866	0.7
109.02865	0.9
111.00758	0.5
111.04403	1.2
113.02335	14.0
115.03883	0.7
115.23395	0.3
119.03393	10.0
121.02859	0.7
123.00787	0.3
124.01517	0.3
125.02342	12.4
126.02679	0.3
127.03928	0.4
131.03395	1.6
133.04956	1.2
139.03931	1.0
141.01845	0.6
143.03404	6.0
149.04457	1.1
152.99525	1.5
161.04482	6.1
167.03387	1.0
169.05005	0.6
174.10101	0.3
179.03413	0.3
179.03752	0.3
179.05534	5.9
185.04500	0.5
190.93910	0.3
195.13945	0.5
199.06148	0.4
203.05617	0.6
205.12300	0.3
217.07104	0.9
219.05072	0.4
221.06601	2.2
223.13329	1.0
235.08205	13.7
236.08516	0.6
245.06604	0.5
253.09256	2.9
255.23280	100.0
256.23645	9.1
263.07739	1.5
269.24875	1.0
277.09268	1.3
287.07806	3.3
293.21167	1.3
305.08768	3.9
323.09799	1.8
349.48718	0.3
359.12640	1.0
361.11478	0.7
379.12534	1.1
397.13501	75.0
398.09113	0.5
398.13867	6.1
415.14578	29.3
416.14996	2.5
429.19958	0.4
472.35208	0.4
473.35019	0.5
653.34991	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59428	0.3
55.01759	1.4
57.03324	1.3
58.00472	2.1
59.01253	43.5
61.98705	1.7
68.99696	0.4
69.03337	2.3
71.01255	37.4
71.08527	0.3
71.68481	0.3
71.68953	0.3
72.01601	0.6
72.99182	3.0
73.02403	0.3
73.02815	7.0
75.00754	0.9
81.03333	1.5
83.01260	4.1
85.02824	8.1
85.99972	0.3
87.00756	8.7
87.01273	0.4
88.69334	0.3
89.02319	33.0
90.02655	0.5
91.03887	0.7
93.03320	0.4
95.01264	2.4
97.02834	5.7
99.00758	1.9
99.04421	0.6
101.02324	30.4
102.02684	0.5
103.03903	0.6
107.57338	0.3
109.02878	0.7
111.00763	0.9
111.04418	1.1
113.02333	16.4
114.02647	0.4
115.03899	0.5
119.03393	9.1
121.02866	0.8
123.04397	0.5
124.01578	0.3
125.02343	14.2
126.02792	0.3
127.03925	0.6
129.01823	0.4
131.03406	1.5
133.02864	0.4
133.04945	1.1
135.04364	0.7
137.02367	0.3
139.03906	0.9
141.01796	0.8
143.03406	6.8
149.04471	0.7
151.03828	0.4
157.04971	0.6
161.02367	1.1
161.04457	6.9
162.04771	0.3
167.03392	0.9
169.04964	0.6
179.03304	0.7
179.05547	6.7
179.09525	0.3
180.05838	0.3
185.04491	0.5
199.06087	0.4
203.05382	0.3
217.07129	1.2
217.27382	0.3
221.06667	2.3
235.08199	13.2
236.08578	0.9
245.06662	0.9
253.09258	3.3
255.23271	100.0
256.23621	10.3
256.26324	0.4
263.07690	1.5
269.24921	0.6
277.09225	0.9
287.07770	4.1
288.08136	0.3
305.08762	3.8
323.09943	1.7
361.11227	0.6
379.12384	1.2
397.13492	81.8
398.08569	0.3
398.13828	8.0
415.14578	32.3
416.14987	2.9
468.43246	0.3
653.25940	0.5
653.36285	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.5
56.61354	0.4
57.03316	1.9
58.00458	1.3
59.01253	24.6
61.62843	0.4
61.98699	2.6
69.03325	0.5
70.53362	1.2
71.01253	30.7
72.01580	0.5
72.99179	2.1
73.02818	7.7
75.00737	0.6
78.47891	0.4
78.95784	0.8
81.03339	0.4
83.01264	4.1
83.04907	1.0
84.02016	0.5
84.61655	0.5
85.02824	17.4
87.00750	2.9
89.02320	9.6
95.01260	4.2
97.02828	1.1
97.06442	0.6
99.00760	3.9
101.02325	19.8
109.06468	1.6
111.00782	2.5
112.88350	0.5
113.02328	17.2
119.03387	3.3
121.02836	0.4
123.04456	0.5
123.08035	0.5
125.02265	0.7
125.09595	1.3
129.01817	1.5
133.02869	2.9
134.03558	0.7
135.04388	2.0
143.03404	1.4
149.04451	0.4
159.02896	1.6
159.04218	0.6
161.02371	7.4
161.04416	5.2
161.09561	0.5
162.02664	0.7
163.11186	1.6
171.10167	2.1
172.05232	0.5
173.06000	0.6
179.03412	3.4
179.05534	0.6
181.12274	0.9
186.06802	0.4
187.07594	0.6
187.09648	0.5
188.04599	0.5
201.05511	2.0
201.09161	0.5
203.14406	0.4
207.10199	6.2
209.11775	9.2
210.12091	0.5
217.12273	1.6
221.11856	0.5
223.13573	0.5
225.11235	5.2
229.08687	1.5
230.09404	5.2
231.10065	0.7
235.08266	1.2
245.11823	0.6
247.13278	0.7
250.00681	0.5
253.09241	0.9
263.12897	1.7
329.30676	0.5
373.24023	0.9
381.20724	0.6
399.21753	1.4
417.22757	2.5
435.23679	0.9
443.18924	0.7
461.20285	1.2
491.29102	0.8
491.35919	10.2
492.36386	1.5
621.17865	0.6
635.30377	3.4
636.31299	0.7
653.31598	9.2
653.41174	100.0
654.21313	0.8
654.31903	3.0
654.41547	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	654.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.7
58.00450	0.5
59.01254	7.1
61.98702	37.5
65.87234	0.4
69.49846	3.4
71.01254	11.7
72.01575	0.8
77.22805	0.4
83.01260	0.5
85.02828	9.7
86.03156	0.8
87.00745	0.7
89.02327	3.6
95.01263	3.8
99.00827	0.5
101.02330	1.7
102.17158	0.4
107.76473	0.5
113.02332	20.7
114.02661	1.8
117.03358	2.0
119.03346	0.9
132.02069	1.4
133.02847	22.7
134.03238	0.9
135.04416	4.7
137.02379	0.7
143.03410	0.6
145.02855	1.0
145.57256	0.5
161.02353	100.0
161.04524	2.8
162.02699	5.8
163.03937	0.6
176.76347	0.4
179.03468	3.1
187.07510	0.5
201.05490	1.2
201.09169	0.6
202.06030	0.8
203.07083	0.6
221.40593	0.6
229.08635	1.8
230.09372	3.5
231.09830	1.6
241.27950	0.5
255.14102	0.5
270.19781	0.6
299.16580	0.8
300.16592	0.5
328.16016	0.5
360.59286	0.5
556.21051	0.6
582.26349	1.5
591.20813	65.2
592.21191	10.7
593.31488	0.7
594.32312	0.5
625.28760	0.7
626.28973	1.2
653.27917	1.1
654.28186	6.6
655.29370	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	654.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.1
58.00440	0.5
59.01247	8.5
60.99165	0.5
61.98702	100.0
62.43181	0.4
68.01128	0.4
69.28874	0.4
71.01253	13.3
71.07482	0.9
72.99175	0.8
73.02820	0.6
76.13616	0.4
82.90749	0.4
83.01263	0.8
85.02820	12.3
86.03171	1.1
87.00745	0.6
88.41771	0.5
88.98682	1.6
89.02307	4.5
89.34626	0.4
93.03336	0.9
95.01270	5.0
96.01609	0.5
99.00756	0.7
101.02344	2.9
108.02150	0.5
109.02865	0.4
113.02329	25.0
114.02631	2.4
116.92755	0.9
117.03341	1.3
119.03397	1.1
121.02810	0.4
123.04442	0.7
132.02095	1.2
133.02850	23.0
134.03168	0.8
135.04425	6.1
136.04794	0.9
137.02370	2.4
138.02789	0.4
143.03424	0.9
145.02846	0.9
149.02371	0.5
150.03175	0.7
154.07062	0.4
159.04274	0.5
160.01566	0.5
161.02350	82.3
161.04509	4.1
162.02687	4.9
162.04836	0.6
172.05191	0.7
173.05908	1.4
174.03062	0.7
175.07462	0.4
179.03416	5.6
186.03073	0.5
186.06812	0.7
187.03979	0.8
187.07574	2.1
188.07893	0.7
200.04703	1.2
201.05521	4.4
201.09142	1.4
202.06007	3.5
202.09462	0.7
203.06920	1.1
209.11789	3.6
215.06963	0.6
227.12823	0.5
229.08618	5.1
230.09386	12.7
231.09773	6.1
247.09744	0.8
248.60457	0.5
253.09187	0.5
275.16293	0.5
284.98257	0.4
555.20966	0.9
556.21320	1.5
557.21930	0.9
582.25916	0.6
591.20825	70.2
592.21112	12.7
622.18372	0.6
653.28021	0.6
654.28900	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.2
59.01254	6.4
60.62286	0.5
61.98707	1.0
65.00197	0.7
65.03831	0.7
67.01755	1.1
71.01258	9.0
72.99194	2.6
74.55663	0.6
76.86639	0.5
81.03350	0.7
81.43228	0.5
85.02821	10.4
87.00764	1.5
89.02299	3.2
91.01791	0.8
91.05471	0.6
93.03340	8.3
95.01271	4.8
95.04922	2.1
97.02835	0.7
99.00774	0.9
101.02338	1.8
105.03368	3.2
107.04946	0.8
109.02847	5.7
111.00790	0.9
113.02335	20.2
114.02666	0.7
119.01284	1.0
119.03409	1.2
121.02854	9.5
123.00783	1.4
123.04395	7.1
124.04751	1.1
125.02342	1.2
132.02135	0.6
133.02858	15.5
134.03580	1.2
135.04424	29.4
136.04739	1.5
137.02348	23.7
138.02693	1.3
139.00272	0.6
139.03915	4.8
141.01825	0.9
147.00793	3.2
148.01538	3.4
149.02357	17.4
150.03035	1.9
151.03926	3.9
153.01947	1.0
153.05498	2.3
161.02354	32.5
161.04483	1.3
162.02673	4.2
164.01097	1.0
165.01848	16.3
166.02269	0.9
167.03424	9.4
167.50540	0.6
175.00294	2.9
176.00964	0.6
177.01854	16.1
178.02359	1.6
179.03430	27.9
180.03813	2.2
190.99825	0.8
192.00531	2.6
192.04271	0.6
193.01358	100.0
194.01733	5.7
195.02893	1.7
207.06613	1.3
261.90796	0.6
315.10864	1.1
341.10730	1.1
397.45035	0.7
461.16672	18.4
462.16934	3.4
475.14572	1.5
477.15906	2.9
487.14362	1.1
493.15405	3.9
517.15356	0.7
583.20380	1.2
611.19757	1.6
637.17792	6.4
655.18738	29.6
656.19220	6.8
682.40503	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.9
59.72050	0.5
68.99699	3.2
71.01243	2.4
72.99159	0.8
75.00781	0.6
83.01264	1.1
85.02828	1.4
87.00749	0.6
89.02316	1.2
93.03335	89.8
94.03654	2.6
99.00769	1.1
101.02319	1.7
111.00700	0.7
113.02341	2.8
115.00275	0.5
119.03429	0.7
123.04403	3.3
124.04809	0.5
125.02319	2.1
129.01915	0.6
135.04379	1.1
137.02344	100.0
138.02670	3.6
144.73726	0.5
145.02878	0.6
149.06023	0.7
151.03906	0.7
153.01906	0.7
161.02359	1.1
177.01894	0.8
179.03426	1.7
193.03430	0.7
199.64243	0.5
203.79968	0.5
211.05951	0.9
231.05110	2.4
285.03851	1.4
299.07916	0.8
303.04819	1.3
313.12332	0.6
351.05814	2.3
352.05981	0.5
355.10355	1.6
369.08139	3.6
373.11270	1.1
461.28464	0.6
493.13773	0.9
655.18671	10.6
656.19391	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	655.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96021	1.4
59.01257	9.7
61.98706	1.5
67.02889	1.5
68.99704	3.4
69.11710	1.5
71.01248	15.6
71.51839	1.3
72.99187	4.8
75.00752	3.5
77.99073	1.9
81.19012	1.4
83.01241	2.7
85.02824	13.0
87.00761	2.9
89.02320	6.5
93.03336	23.4
93.47740	1.7
94.83944	1.5
95.01263	3.3
99.00771	3.9
101.02341	6.1
105.12003	1.4
107.04916	2.1
109.02839	4.1
111.00706	1.5
113.02341	16.7
114.02692	1.5
116.92771	10.0
119.03411	1.9
119.04904	1.5
120.82781	1.4
121.02863	7.5
122.03552	1.9
123.04404	17.4
125.02339	6.8
126.61054	1.8
132.02051	2.0
133.02853	18.0
134.03661	4.9
135.04419	69.9
136.04736	3.6
137.02351	45.4
139.00304	2.3
141.01810	2.1
149.02348	8.8
150.03119	4.5
151.03876	8.6
153.01851	3.7
155.21263	1.6
160.01582	3.0
161.02354	33.5
161.04443	2.7
162.02641	2.3
167.03456	2.3
175.03926	5.3
177.01862	47.2
178.02235	2.8
179.03432	100.0
180.03661	7.2
193.05040	3.0
195.02936	4.8
240.79277	1.9
248.31595	1.4
303.05365	2.3
341.10809	2.0
351.05655	4.4
459.15131	9.3
469.14331	1.7
487.14557	6.1
493.22543	1.6
529.15405	2.5
621.57922	1.8
637.17700	6.4
655.18829	7.0
655.29199	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.2
59.01254	3.2
61.98702	1.7
69.17798	1.8
69.18200	0.6
71.01250	4.3
72.99183	0.3
73.02824	1.1
74.68349	0.3
78.95755	0.2
79.26663	0.2
83.01254	0.8
85.02817	1.7
86.03196	0.3
87.00784	0.4
88.98701	0.2
89.02320	1.6
91.05423	0.4
93.03338	3.0
95.01258	0.7
96.95885	1.0
99.00756	0.7
101.02311	2.9
109.02830	0.5
111.00790	0.3
113.02340	2.2
117.03355	0.8
119.04916	100.0
120.05247	3.7
133.02873	0.8
134.03606	0.3
135.04431	1.1
136.01569	0.5
137.02333	3.2
139.03871	0.3
142.67967	0.2
143.03433	0.3
145.02852	1.6
147.04439	0.5
149.02350	0.4
151.03917	0.5
160.01636	0.5
161.02354	1.9
161.04465	0.6
161.06021	0.2
163.03918	56.0
164.04240	2.8
165.05516	0.3
167.03333	0.3
175.03897	0.9
176.04280	0.7
177.01868	0.4
179.03459	1.3
180.03764	0.3
181.04994	1.0
182.64073	0.2
193.05060	0.5
209.11708	0.7
230.09396	0.3
269.08231	0.4
281.06699	2.6
313.23846	0.5
329.15988	1.7
331.24838	0.7
347.17142	8.2
348.17365	0.9
373.18774	0.3
389.17822	0.4
475.29068	0.9
491.20990	0.9
493.20178	0.3
493.30057	1.3
655.25842	13.0
655.35822	5.2
656.27295	2.2
656.36725	0.5
665.25470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83670	1.6
55.01757	3.3
57.03330	2.8
58.00469	1.6
59.01252	78.0
61.98707	8.1
69.03338	2.1
70.90459	1.4
70.90781	2.3
71.01254	50.2
72.99173	5.9
73.02820	16.2
75.00744	3.5
83.01261	11.6
85.02823	28.7
87.00784	7.2
89.02318	9.7
93.03344	4.8
95.01257	7.1
96.95885	6.3
97.02840	5.2
99.00776	9.0
101.02318	37.6
108.02074	2.1
109.02841	2.5
111.00761	7.3
113.02334	30.3
114.02685	2.2
117.03327	4.2
118.97955	2.3
119.03370	2.7
119.04913	13.5
120.05221	1.7
121.02831	2.4
123.04388	5.2
123.64845	1.7
124.01534	1.6
125.02345	8.6
129.01790	2.5
133.02829	17.6
134.03201	2.7
135.04428	16.2
136.04794	3.3
137.02359	14.0
139.03923	1.7
143.03407	5.4
145.02896	15.1
147.04385	1.7
149.02335	5.4
150.03070	3.1
151.03935	7.2
159.02975	1.8
161.02356	47.6
161.04356	7.6
162.02716	8.1
163.02722	2.4
163.03906	12.3
165.01823	3.1
165.05429	2.6
177.01851	6.6
179.03423	22.2
180.03740	4.6
193.01361	9.7
195.02869	1.9
209.03818	1.5
219.20499	1.4
245.21141	2.7
285.03925	2.1
357.89270	1.6
389.25540	4.1
407.26483	12.5
438.42578	1.7
493.17477	1.6
535.39874	1.6
540.36536	1.6
551.30725	100.0
552.31091	14.1
565.19000	1.6
569.31775	76.6
570.31903	10.8
611.32916	14.4
612.33191	3.9
623.18713	6.4
647.21802	2.9
655.20795	5.1
655.36102	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83670	1.6
55.01757	3.3
57.03330	2.8
58.00469	1.6
59.01252	78.0
61.98707	8.1
69.03338	2.1
70.90459	1.4
70.90781	2.3
71.01254	50.2
72.99173	5.9
73.02820	16.2
75.00744	3.5
83.01261	11.6
85.02823	28.7
87.00784	7.2
89.02318	9.7
93.03344	4.8
95.01257	7.1
96.95885	6.3
97.02840	5.2
99.00776	9.0
101.02318	37.6
108.02074	2.1
109.02841	2.5
111.00761	7.3
113.02334	30.3
114.02685	2.2
117.03327	4.2
118.97955	2.3
119.03370	2.7
119.04913	13.5
120.05221	1.7
121.02831	2.4
123.04388	5.2
123.64845	1.7
124.01534	1.6
125.02345	8.6
129.01790	2.5
133.02829	17.6
134.03201	2.7
135.04428	16.2
136.04794	3.3
137.02359	14.0
139.03923	1.7
143.03407	5.4
145.02896	15.1
147.04385	1.7
149.02335	5.4
150.03070	3.1
151.03935	7.2
159.02975	1.8
161.02356	47.6
161.04356	7.6
162.02716	8.1
163.02722	2.4
163.03906	12.3
165.01823	3.1
165.05429	2.6
177.01851	6.6
179.03423	22.2
180.03740	4.6
193.01361	9.7
195.02869	1.9
209.03818	1.5
219.20499	1.4
245.21141	2.7
285.03925	2.1
357.89270	1.6
389.25540	4.1
407.26483	12.5
438.42578	1.7
493.17477	1.6
535.39874	1.6
540.36536	1.6
551.30725	100.0
552.31091	14.1
565.19000	1.6
569.31775	76.6
570.31903	10.8
611.32916	14.4
612.33191	3.9
623.18713	6.4
647.21802	2.9
655.20795	5.1
655.36102	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.3
59.01246	2.0
61.98682	0.6
71.01254	1.5
73.02821	0.3
76.41017	0.2
78.95783	0.4
80.02556	0.4
81.03312	0.4
83.01262	0.4
83.04892	2.6
83.72990	0.2
84.02053	0.5
85.02828	0.7
87.32348	0.3
89.02297	1.2
95.04882	0.5
97.02838	0.6
98.19812	0.8
101.02327	1.5
106.06561	0.2
108.55122	0.2
109.06486	0.7
113.02359	1.1
118.21951	0.2
119.03364	0.4
125.06055	0.2
133.02820	0.3
135.04401	0.3
135.08011	0.7
161.02324	0.5
161.04477	0.6
162.06822	0.3
163.11198	2.1
165.12753	1.4
171.10187	0.5
179.05460	0.2
181.12329	0.3
191.10802	0.4
195.57706	0.3
207.10284	1.4
209.11772	100.0
210.12117	6.6
211.13290	2.9
221.15392	0.3
223.13197	0.4
225.11307	1.1
227.12862	6.6
228.13184	0.5
235.08189	0.8
253.09250	4.3
383.22461	0.7
385.13718	0.3
391.20068	0.3
391.25000	0.3
401.23395	0.9
419.24246	0.6
445.20813	0.7
595.64825	0.3
611.35864	1.1
637.31873	1.8
655.33411	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03336	0.1
52.04966	0.2
53.28989	0.1
55.01736	0.2
56.22763	0.2
57.03321	0.4
57.62976	0.2
58.00487	0.2
58.37411	0.2
59.01251	3.4
61.22334	0.2
61.98685	0.2
69.03331	1.9
71.01254	2.0
71.04870	0.3
73.02838	0.3
80.02544	0.5
81.03325	0.6
83.01263	0.3
83.04899	2.9
84.02029	0.5
85.02817	0.6
87.00787	0.3
89.02322	1.5
89.65790	0.1
95.01253	0.2
95.04914	0.6
97.06446	0.2
101.02322	1.6
109.06470	0.4
111.08031	0.5
112.17666	0.1
112.20023	0.1
113.02354	1.1
119.03403	0.3
125.05940	0.2
125.09607	0.2
127.95985	0.2
133.02840	0.2
135.04385	0.2
135.08040	0.4
139.07562	0.2
145.02908	0.2
145.04959	0.4
147.11768	0.2
153.09091	0.6
161.02318	0.2
161.04443	0.9
162.06729	0.3
163.11209	2.2
165.09062	0.3
165.12755	2.7
168.69046	0.2
171.10172	1.4
173.09650	0.4
179.03435	0.2
179.05525	0.4
181.12265	2.9
191.10712	4.7
192.11021	0.2
207.10190	0.4
209.11769	100.0
210.12122	6.2
211.13327	0.5
212.05167	0.2
225.11296	0.3
227.12848	9.2
228.13188	0.6
235.08231	2.0
247.13326	1.1
253.09264	6.0
254.09518	0.3
329.93060	0.2
353.76941	0.2
383.22266	0.2
401.23276	0.5
419.24539	0.2
427.19592	0.6
445.20773	4.3
446.21112	0.5
619.30737	0.4
637.32275	0.5
655.33020	0.3
656.34399	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.2
61.98679	5.5
69.03313	1.5
71.01231	1.8
71.51488	1.4
73.02811	1.0
78.95772	100.0
79.95602	1.2
80.96389	9.4
96.96833	10.0
99.92441	5.2
101.02377	1.0
102.65414	0.9
109.34695	0.9
111.76096	0.9
113.09590	2.1
115.91947	12.9
116.91991	1.5
116.92741	13.9
117.03374	2.3
119.04893	1.0
120.58430	1.0
122.97477	1.0
134.98439	2.2
143.10706	1.2
145.02837	7.6
150.97888	1.1
152.99490	71.9
156.95953	1.3
164.98590	1.2
167.10701	1.7
171.00539	1.4
177.12781	1.0
179.14272	2.5
195.13838	19.7
196.14151	1.5
205.12238	6.4
209.11792	1.3
223.13333	38.3
224.13512	2.0
225.00600	1.4
255.23303	2.9
277.21661	11.3
278.22244	1.4
293.20895	1.0
295.22775	43.9
296.23096	4.3
297.87701	0.9
359.12631	22.9
360.13190	2.1
377.13657	7.2
429.19482	1.3
431.21964	26.4
432.22205	2.7
449.22998	10.8
555.28436	2.7
617.38239	4.6
655.21039	6.4
655.36115	35.7
656.21216	2.2
656.36591	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	657.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83197	1.3
59.01239	2.2
69.54124	2.7
69.54534	5.4
71.01250	6.5
73.02802	2.0
85.02814	3.7
93.03334	2.3
95.01270	2.7
98.20533	2.7
101.02321	1.7
101.04321	1.6
107.01269	1.6
108.02056	35.1
109.02863	11.2
113.02322	4.1
121.02834	4.1
123.00751	3.5
124.01532	2.2
125.02339	1.4
133.02809	1.6
135.04358	2.2
137.02342	5.3
139.00278	1.8
139.03928	2.7
146.77574	1.5
149.02283	2.1
151.03949	2.2
152.01051	36.2
153.01875	11.0
153.05493	1.8
161.02341	2.1
168.00533	2.3
179.03429	2.1
181.01353	2.4
181.04948	1.7
181.71980	1.4
182.02110	4.3
183.02910	13.0
189.72990	1.6
193.56102	1.4
197.04555	7.4
203.63080	1.2
301.08466	1.5
315.07239	1.9
327.07181	6.5
341.08688	7.5
351.05905	1.7
405.15353	1.8
451.12509	1.9
463.09357	1.5
489.04626	1.4
495.11441	100.0
496.11911	11.2
537.12268	3.9
657.16711	11.4
658.17065	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	657.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.5
61.98694	4.8
63.74147	0.6
71.00665	0.8
71.01218	0.6
74.39548	0.5
78.95773	7.8
96.96824	1.2
99.04382	1.5
113.09608	0.7
118.21452	0.5
143.03398	1.9
152.99500	5.2
163.11185	0.8
177.91068	0.8
179.03517	0.9
207.10228	1.2
209.11768	1.6
225.11215	0.7
250.94159	0.5
289.54803	0.6
293.21225	2.2
295.22797	1.9
361.10556	1.6
363.12192	0.9
423.25211	0.6
429.20630	0.9
431.21982	0.9
451.14075	1.4
461.97427	0.6
464.14783	1.0
466.16129	1.0
479.17648	0.6
493.14417	0.6
494.15802	1.9
495.16373	1.5
506.16037	0.6
507.16855	12.3
508.17206	3.2
510.15506	1.4
511.15817	0.7
521.15076	4.9
522.18604	1.0
523.19519	0.7
526.15088	2.0
534.15417	1.9
535.16321	1.6
539.15509	3.9
540.16675	1.4
549.17853	6.7
550.18109	2.1
553.17297	22.8
554.17584	6.8
559.69122	0.7
566.18060	2.5
567.18463	1.0
581.20276	5.7
582.20306	1.3
598.17108	2.6
599.17456	0.9
625.19373	1.7
640.70319	0.6
657.22076	100.0
658.22253	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	657.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19878	0.2
51.96822	0.2
56.66838	0.2
58.00486	0.2
59.01248	2.0
61.98701	0.8
69.69875	0.7
71.01254	2.3
71.82645	0.2
72.99179	0.4
73.02849	0.6
75.00719	0.2
80.02547	0.4
85.02836	0.8
87.00763	0.2
88.98695	0.4
89.02302	1.4
93.03323	0.2
95.01254	0.3
98.19788	0.3
99.00763	0.3
101.02325	1.8
108.02048	26.2
109.02277	0.3
109.02894	0.7
111.00761	0.2
113.02322	1.2
117.03381	0.3
119.03383	0.6
119.04908	0.2
123.04405	11.2
124.04719	0.4
125.02319	0.3
133.02861	0.6
135.04404	0.4
135.98297	0.2
145.02864	1.0
149.02284	0.3
149.06017	0.2
150.67802	0.2
152.01051	54.6
153.01370	2.0
160.01561	0.3
161.02325	0.9
161.04451	0.6
167.03404	100.0
168.02313	0.2
168.03754	4.3
175.03918	0.4
179.03418	0.5
179.05461	0.4
256.07422	0.4
271.09671	0.3
307.08069	0.4
315.07214	0.4
327.14453	1.9
328.14853	0.3
337.09277	0.4
345.15521	13.0
345.73245	0.2
346.15869	1.2
387.16623	1.1
405.11841	0.2
441.17493	0.5
489.19803	1.8
495.15027	0.5
512.61029	0.2
597.17603	0.4
657.23438	5.2
657.36780	1.2
658.24066	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01590	1.1
61.98698	13.0
71.01251	3.4
72.99207	1.2
75.00748	0.8
85.02843	2.1
87.00784	1.5
89.02325	2.1
93.03353	1.0
95.01266	0.7
98.19786	1.9
99.00761	1.0
101.02357	1.9
109.02850	0.7
111.00739	0.7
113.02354	2.8
119.04932	0.9
121.02815	0.7
125.02398	1.0
133.02863	0.8
135.04379	1.0
136.01573	0.9
137.02380	4.3
151.03912	1.3
152.29251	0.6
161.02365	5.3
165.01842	31.9
166.02359	1.1
175.07582	1.0
175.78876	0.6
176.04741	2.2
179.03418	20.6
180.04201	27.1
181.04797	1.1
194.05759	13.1
195.02913	1.4
195.06560	40.9
196.07004	1.9
209.08130	22.2
210.05272	7.5
210.08546	1.0
225.07639	70.4
226.07941	5.0
255.03239	0.7
329.10379	0.7
357.09683	4.4
372.12036	4.3
387.14468	28.7
388.15002	3.6
401.97397	0.8
435.16565	17.2
435.22110	1.0
436.17017	1.9
461.27350	0.7
657.28687	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	659.2
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71035	3.0
59.01241	7.8
61.98692	18.5
71.23178	3.3
73.02802	3.1
75.00745	29.4
76.62086	2.6
78.95774	51.0
87.00691	3.2
103.00252	20.3
107.67043	2.9
118.37209	2.8
141.01584	2.7
152.73022	2.9
152.99486	30.0
161.02316	5.1
171.00571	5.9
209.11795	20.8
261.97668	2.8
277.21817	4.3
295.22723	8.5
363.12003	12.6
411.40198	3.1
431.21790	7.2
453.16071	13.5
455.17169	8.8
456.17859	5.7
457.18808	4.6
466.12814	4.4
467.13092	4.2
468.12079	3.5
468.18262	26.8
469.11893	5.8
469.18433	13.3
473.17972	10.0
481.15262	8.7
483.13547	5.9
483.20444	60.9
484.20590	20.2
488.16626	4.9
495.16888	9.1
496.17596	35.7
497.17825	9.5
500.17200	32.8
501.17792	19.2
502.17853	3.5
510.14651	14.0
511.20068	91.6
512.13287	12.8
512.20178	21.9
513.14294	6.3
513.21234	11.1
524.17267	9.6
525.17633	6.0
526.14899	25.0
527.14819	18.1
528.16211	23.3
539.19373	6.5
543.19019	6.0
544.19739	10.0
555.18793	38.3
556.18707	12.0
561.19550	5.9
562.20105	3.5
571.18591	9.0
572.19012	4.4
573.19952	8.6
583.18317	20.9
584.18433	8.0
587.21442	27.9
588.20850	6.9
589.18799	6.1
599.17908	69.6
600.18085	22.6
615.21014	74.8
616.21234	27.1
627.17365	15.9
632.17383	7.9
659.08875	4.8
659.19836	100.0
659.35669	13.7
660.20215	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18108	0.8
59.01255	4.5
61.98701	8.5
65.63671	0.9
69.14169	0.8
71.30557	1.7
73.02824	1.8
75.00749	1.3
78.95769	3.7
80.76733	0.9
85.02795	0.9
127.36420	0.9
152.99501	2.1
192.11519	0.9
253.08113	1.0
288.03976	0.9
323.06769	1.0
364.53595	1.0
441.19281	3.4
465.19598	2.9
467.20758	1.5
469.22409	3.3
479.20920	2.3
496.17645	4.3
497.17850	2.0
507.20392	2.5
509.18030	1.8
511.19839	2.6
512.16998	12.6
513.17206	3.6
522.50409	0.9
523.19519	1.7
524.20630	1.8
525.21106	1.4
528.16693	5.8
529.16791	2.2
535.16150	1.7
536.16949	5.4
543.04919	1.0
551.19421	3.4
555.19006	9.5
556.19214	3.8
585.19971	2.7
605.13373	1.1
627.21460	6.8
659.23572	100.0
660.23828	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19133	0.3
57.44896	0.2
59.01251	1.7
61.98686	1.0
68.60497	0.2
70.46217	0.7
71.01256	2.6
72.99177	0.5
73.02819	0.8
75.00745	0.4
80.02541	0.5
83.01248	1.3
83.04952	0.3
85.02821	1.5
87.00777	0.4
89.02310	0.8
90.46447	0.2
90.83775	0.3
93.03329	0.7
97.02797	0.3
99.00787	1.2
99.63528	0.3
99.99690	0.3
100.01568	0.4
101.02339	2.0
108.02052	30.5
109.02390	1.0
111.00747	3.1
113.02310	2.3
117.03352	1.7
119.03454	0.4
119.04903	1.6
121.02844	1.1
123.04407	12.6
124.01588	0.3
124.04757	0.4
125.02336	0.8
128.01073	0.4
133.02841	0.9
134.03648	0.2
135.04369	1.4
137.02332	0.8
139.00272	2.2
139.03929	0.3
143.03352	0.4
145.02856	5.0
147.04382	0.6
149.02322	0.7
152.01056	64.4
153.01357	2.4
153.05521	0.3
156.00548	3.6
157.01353	3.3
161.02361	2.1
161.04449	0.9
163.03915	1.8
167.03410	100.0
168.03764	4.3
174.03171	0.3
175.03935	1.0
179.03386	1.5
191.05496	0.4
193.05009	0.7
201.01817	0.3
207.06607	1.3
229.14488	0.4
243.02861	0.3
289.07440	0.4
305.06516	0.3
307.08203	1.8
329.15985	4.0
330.16403	0.5
347.17090	17.0
348.17532	1.4
389.18182	1.3
431.19131	0.3
443.19037	0.9
475.66278	0.3
491.21286	2.2
659.25543	6.4
660.26538	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.7
57.03320	1.6
58.00470	0.8
59.01250	13.7
61.98697	3.7
69.03323	0.7
70.33183	0.6
71.01252	11.0
71.04873	0.6
71.51611	1.0
73.02814	3.6
79.95592	0.8
80.96420	1.2
81.03342	1.7
83.01254	2.4
83.04899	4.2
84.02064	1.0
85.02327	0.6
85.02808	3.7
87.00764	1.7
89.02325	4.2
95.04927	1.3
97.06480	4.2
99.00745	1.0
101.02334	8.8
110.06840	0.7
113.02315	5.4
119.03389	1.5
122.06008	0.8
125.02336	1.3
125.09615	1.2
125.44627	0.7
127.03905	1.0
131.03320	1.2
133.02823	0.7
135.04413	2.5
143.03340	1.2
145.02847	0.8
151.10046	1.2
151.11197	14.6
152.06970	0.6
152.11507	0.8
161.02321	2.6
161.04485	3.7
161.54932	0.7
163.11176	2.5
165.12756	2.0
169.12254	72.3
170.12521	3.8
171.10182	1.5
179.03384	1.9
179.05646	0.6
183.13847	1.2
185.11754	1.1
191.10585	0.8
195.10199	3.2
196.25400	0.7
197.11742	2.7
199.13332	0.9
203.05548	0.8
209.11771	50.7
210.12132	3.6
211.13324	0.9
213.11269	12.3
213.14709	0.7
217.05081	0.7
221.06621	1.7
223.28442	0.6
225.11353	1.0
227.12878	8.3
228.12981	0.8
235.08177	2.0
253.09279	4.6
255.02940	1.3
256.03622	0.8
263.07712	1.4
283.02487	1.8
293.21204	1.0
296.32321	0.7
303.08719	0.7
431.19003	3.2
449.20377	8.5
450.20584	1.2
471.15158	1.9
583.25537	1.1
617.31427	0.9
627.24292	1.6
641.31873	3.4
659.32916	100.0
660.33246	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	659.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.6
59.01252	1.8
61.98706	3.2
70.19248	2.1
71.01265	0.5
78.95781	100.0
80.02507	0.6
80.96402	0.9
81.03343	0.5
83.04897	2.0
84.02087	0.6
96.96851	6.6
98.20516	0.5
113.09627	1.1
134.98445	1.2
149.40820	0.5
150.97919	0.8
152.99503	51.5
153.99860	0.8
161.02376	0.6
163.11232	1.4
165.12778	1.0
171.00601	4.2
177.12799	0.5
178.27797	0.5
179.03310	0.5
179.14438	0.7
181.12234	0.6
195.13852	9.9
209.11778	25.8
210.12086	1.7
227.12851	4.8
238.94641	0.5
277.21750	9.1
278.22089	0.6
295.22794	32.6
296.23080	3.3
363.12177	12.7
364.12308	0.7
375.14694	0.5
381.13174	1.6
431.22040	22.6
432.22122	2.3
449.23160	8.7
450.23291	1.0
577.26813	1.7
659.35632	47.1
660.35999	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43741	0.6
55.01760	3.8
57.03333	1.6
59.01256	8.2
61.98706	5.0
67.73038	0.6
69.24839	0.6
71.01246	10.1
72.99196	1.0
73.02827	4.3
75.00748	1.3
81.03323	0.9
83.01255	67.1
83.04879	0.6
83.22729	0.6
84.01623	0.8
85.02824	3.9
87.00768	0.9
88.98679	0.8
89.02319	5.4
93.03347	1.7
95.01266	1.5
95.79662	0.8
96.95908	1.2
97.02817	1.4
99.00755	16.2
101.02320	30.6
106.67307	0.6
107.04946	0.7
108.02060	1.8
109.02843	2.8
113.02338	4.2
117.03333	1.1
119.03387	2.1
119.04916	1.5
120.02043	0.7
120.99525	1.5
121.02830	5.9
123.00746	0.9
123.04445	1.2
124.01543	1.3
125.02350	3.2
127.00259	42.6
128.00584	1.2
133.02837	4.4
134.03630	16.5
135.04422	10.7
135.43677	0.6
136.01591	1.0
137.02361	3.6
138.03021	1.0
141.01837	1.4
145.01338	2.7
145.02827	3.6
146.03607	1.0
147.04417	1.9
148.01561	15.1
148.02647	1.2
149.02342	2.9
149.05995	3.9
150.03114	1.8
151.03937	1.8
151.07539	1.1
153.05460	4.4
153.09189	0.7
158.03670	1.0
159.03088	0.6
159.04424	2.6
160.05168	1.0
161.02361	11.5
161.04393	1.2
162.03044	2.5
163.03917	9.5
164.03400	1.3
164.04663	1.2
165.05479	1.1
167.03433	0.7
169.01308	2.0
173.02434	0.9
175.03925	3.0
176.04703	5.5
177.01852	2.8
177.05469	2.1
178.02588	1.3
179.03412	2.7
179.05641	0.9
180.04167	5.1
187.03900	1.9
188.04724	7.0
190.64923	0.7
191.07094	1.8
193.04971	2.4
195.06593	2.0
203.07048	0.9
251.07147	1.6
255.06696	1.6
267.06708	1.8
268.07202	1.0
275.09268	0.8
278.05917	1.1
279.06616	4.6
280.07333	1.3
281.07834	1.1
289.05652	7.0
290.06027	0.8
295.06146	5.3
296.06866	28.0
297.07504	5.1
310.08441	1.5
311.09244	27.7
312.09500	2.8
326.07883	5.9
328.09567	0.8
340.51660	0.7
341.10269	12.3
356.08994	29.9
356.13403	1.5
357.09552	5.0
362.54770	0.7
371.11328	91.1
372.11710	8.5
433.24438	0.9
499.29514	0.6
661.17694	100.0
662.18140	18.9
662.28741	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64288	0.3
55.01752	2.0
55.06577	0.4
57.03328	0.6
58.00493	0.5
59.01250	8.3
61.98716	1.1
68.99693	0.5
69.39673	1.5
69.40108	1.4
71.01257	5.5
72.99192	1.4
73.02815	2.6
81.03371	0.4
83.01260	43.4
84.01587	0.8
85.02827	2.0
87.00767	0.8
87.75510	0.4
88.98647	0.5
89.02304	2.3
91.01775	1.4
93.03339	7.8
95.04890	0.9
97.02851	0.8
98.19781	0.5
99.00766	9.5
101.02326	21.1
105.03353	1.1
107.04901	3.4
108.02077	1.9
109.02858	2.5
113.02329	2.6
117.03323	0.6
119.01257	1.1
119.03447	0.5
119.04871	0.5
121.02847	14.7
122.03177	0.4
123.04418	9.4
124.04768	0.6
125.02325	1.0
127.00272	26.4
128.00623	0.6
131.04941	0.5
133.02858	5.2
134.03630	1.7
135.04434	4.1
136.01587	0.6
136.04732	0.4
137.02364	1.4
141.01865	0.7
145.01352	1.4
145.02849	1.4
146.03624	1.7
147.04430	1.4
147.55850	0.4
149.02354	13.9
149.06004	0.5
150.03162	3.1
151.03925	10.3
151.66403	0.4
152.01054	0.7
152.04204	0.4
161.02354	6.4
161.04514	1.0
161.06003	1.7
162.03069	1.9
163.03938	2.3
165.01826	4.6
167.03360	0.4
168.93904	0.4
169.01332	0.7
175.02492	0.7
175.03943	1.0
177.01884	4.8
178.02586	0.7
179.03423	100.0
180.03784	5.0
191.03458	4.1
193.01357	0.7
209.04498	19.1
210.04909	0.8
289.05664	2.6
371.11499	0.9
660.73730	0.8
661.17725	60.8
662.18048	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	661.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40091	0.3
51.78444	0.2
55.01756	0.4
55.34385	0.3
56.05919	0.3
57.03315	0.4
59.01250	8.1
61.98695	1.1
64.10174	0.3
64.92576	0.3
65.94740	0.3
69.03325	0.2
69.65540	0.3
71.01251	6.1
71.51896	0.5
72.99181	0.9
73.02810	1.2
73.97017	0.2
75.00746	0.3
78.95792	0.4
83.01264	0.8
83.04892	1.0
85.02824	4.4
87.00751	0.6
89.02321	2.0
93.03352	0.7
95.01264	1.0
97.02802	0.5
99.00751	0.7
101.02325	2.2
113.02330	6.1
117.03349	30.0
118.03677	0.9
119.04913	16.2
120.05246	0.6
123.04432	0.3
125.02309	1.1
127.03889	3.7
132.02087	0.5
133.02834	1.5
134.03612	0.3
135.04433	1.8
137.02376	0.4
139.07549	0.9
143.03476	1.8
143.04877	1.9
145.02855	100.0
146.03194	4.3
147.04468	0.3
161.02353	3.1
161.04507	0.8
161.05939	0.5
163.03920	30.8
164.04268	1.2
165.05469	0.9
175.44556	0.4
179.03435	2.4
179.04857	0.3
179.05612	0.3
179.07007	1.6
187.04002	1.6
202.09732	0.3
203.05556	0.7
205.05008	1.2
223.06090	5.6
224.06477	0.4
229.05095	0.3
309.09839	0.5
320.07202	0.3
338.87665	0.3
351.05740	0.7
429.17166	0.4
435.82855	0.3
471.15176	0.3
494.97357	0.3
533.32941	0.7
575.21869	0.7
617.22418	12.3
617.37781	1.8
618.23090	2.3
646.22260	0.5
661.38092	1.9
662.36371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21249	0.7
55.01740	2.9
57.03310	1.9
58.00461	1.3
59.01250	25.9
61.98691	2.7
64.29601	0.6
69.28655	4.4
70.82355	0.7
71.01257	19.8
72.99172	2.0
73.02819	6.3
73.42438	0.6
75.00768	0.8
81.03339	3.6
83.01262	43.8
85.02831	4.6
87.04383	3.8
89.02322	13.1
95.01272	1.4
97.02818	2.0
99.00768	7.5
99.04390	3.3
101.02324	48.4
102.02647	0.8
108.02069	0.9
111.04409	1.1
113.02345	6.2
119.03394	5.8
125.02329	6.9
127.00263	15.1
133.02878	0.8
135.04404	0.9
137.02347	2.2
143.03418	1.4
155.50645	0.7
161.02388	0.9
161.04456	1.6
179.03326	1.4
179.05563	1.3
204.91068	0.7
219.70479	0.6
230.51289	0.6
252.03600	0.7
299.70929	0.7
387.04889	0.7
403.17065	0.7
407.10147	0.8
417.39420	0.7
634.17047	0.7
661.27185	100.0
662.27454	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	661.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.0
57.03310	2.2
59.01249	15.3
60.42646	0.6
65.49416	0.6
66.68241	0.6
68.27383	0.7
68.72484	0.5
69.72850	2.0
69.73257	1.1
71.01254	13.7
72.99184	1.5
73.02435	1.0
73.02818	8.2
83.01261	36.4
84.01592	1.2
84.02056	0.8
85.02832	4.4
89.02327	9.6
95.01245	0.8
98.20528	0.7
99.00764	6.1
100.05045	0.6
101.02325	51.8
102.02647	1.2
110.01362	0.6
113.02334	5.1
119.03384	3.5
127.00273	15.1
131.03336	0.8
131.59673	0.6
135.04373	0.8
143.03352	0.7
161.04419	0.8
179.05472	0.8
285.03970	3.5
286.04306	1.1
304.57507	0.7
314.91653	0.6
360.41879	0.7
430.10291	0.6
461.07224	1.3
462.07446	0.8
533.26154	1.4
661.27148	100.0
662.27405	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81052	0.5
55.01760	0.6
57.03312	1.2
58.00470	0.6
59.01254	9.5
61.98716	3.4
69.03315	0.6
71.01257	11.2
72.99170	1.5
73.02834	2.9
78.95779	35.6
81.03310	0.5
83.01254	2.0
83.04919	0.8
85.02823	5.3
87.00750	1.7
89.02310	2.1
95.01241	1.2
96.96841	2.5
99.00753	1.4
101.02329	5.5
111.00774	1.4
113.02348	3.4
117.03340	0.9
119.03394	0.8
119.04945	0.9
125.02352	1.3
127.03921	1.4
129.01817	0.7
133.02878	0.7
135.04463	0.7
139.07584	0.6
145.02882	4.0
150.97926	0.8
152.99496	39.9
161.02335	1.1
163.03810	0.6
165.05415	0.7
171.00540	7.3
179.05432	0.5
209.11815	0.7
225.22188	0.9
227.03325	3.3
245.04276	0.9
271.22797	27.7
272.23132	3.3
415.26947	4.6
416.27066	0.7
420.25180	0.5
433.28073	32.7
434.28452	4.7
564.22577	0.8
569.27533	1.6
575.24164	0.6
587.28851	0.7
616.37683	0.5
650.19641	0.6
661.32080	100.0
662.32434	19.8
662.41046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.2
59.64079	0.5
60.99167	1.6
61.98705	2.0
62.61792	0.5
71.01247	2.3
78.95782	1.0
89.02322	1.2
90.32354	0.5
91.39507	0.4
101.02316	1.1
113.02316	0.8
141.42146	0.5
171.10255	0.8
179.03383	0.6
185.27985	0.6
211.13458	0.5
221.56584	0.5
253.60854	0.5
375.26941	0.7
391.30048	1.5
409.27280	0.8
421.27420	3.7
425.30609	1.3
437.30576	84.0
438.30939	12.7
451.32056	2.4
455.31641	11.8
456.31940	1.1
479.31479	0.7
488.59152	0.7
499.30658	25.8
500.31094	4.1
541.31720	1.7
599.35730	1.8
617.37524	1.1
661.35895	100.0
662.36243	21.8
679.37378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	5.0
59.01243	5.3
69.30382	1.3
71.01249	4.2
71.50777	1.8
73.02820	1.7
78.95763	4.8
83.04878	2.0
89.02299	1.3
95.04878	1.9
97.06483	13.8
99.60395	1.3
101.02304	4.0
102.30279	1.2
113.02341	1.7
123.08047	6.8
125.09612	75.1
126.09962	2.2
152.99437	2.1
156.01494	1.5
159.66106	1.4
169.08614	2.7
187.09677	29.3
235.08195	1.7
253.09201	1.9
255.23262	60.4
256.23569	5.2
394.67303	1.6
405.17606	4.0
423.18707	3.1
465.43414	1.5
641.24731	1.8
661.41663	100.0
662.42126	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	662.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74776	1.5
59.01255	8.4
65.99715	6.9
67.59048	1.5
70.26009	1.4
71.01255	12.5
72.99170	1.7
73.02829	1.8
78.34767	1.5
83.01258	2.2
85.02826	16.7
89.02312	6.4
95.01263	5.1
99.00778	2.0
101.02291	3.3
109.02836	1.9
113.02325	25.7
117.03339	2.7
119.04903	2.4
123.04416	4.9
132.02036	2.8
133.02849	39.3
134.03386	1.4
135.04414	52.0
135.93291	1.5
136.04736	2.7
143.63028	1.4
145.02876	9.1
147.04427	11.1
149.05988	4.2
153.05362	2.1
161.02353	88.8
161.04440	4.2
162.02678	7.2
163.03894	1.6
172.03925	3.2
173.02370	19.2
174.05513	13.4
179.03413	69.3
180.03789	4.2
193.04933	4.4
195.74471	1.5
200.03455	36.7
203.03455	2.5
218.00989	1.6
220.06320	1.6
285.50436	1.7
325.09488	1.8
461.16562	6.1
487.14490	4.8
500.17624	13.1
581.58649	1.8
624.20099	4.2
635.19702	3.7
662.20905	100.0
663.20947	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	663.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45922	0.9
55.01755	4.5
59.01253	4.5
61.98701	1.0
69.37215	3.9
69.37637	2.8
71.01247	6.9
73.02810	3.7
75.00755	1.5
83.01257	63.5
84.01579	1.1
85.02808	2.2
87.00704	1.8
89.02280	2.3
90.42216	1.1
95.01224	0.9
96.95884	5.9
97.02796	1.0
99.00755	14.9
100.24904	0.9
101.02322	27.4
106.66030	1.0
108.02037	3.2
109.02823	3.5
113.02316	3.5
115.00250	1.3
119.04914	1.4
120.02097	1.3
121.02834	2.7
123.00794	1.3
123.04414	4.5
125.02281	1.8
127.00260	36.9
133.02841	3.5
134.03581	5.9
135.04378	2.7
136.01538	3.9
137.02312	2.5
141.01834	3.2
145.01289	1.2
145.02826	3.0
146.03658	5.2
147.04388	2.4
148.01579	7.9
149.02304	3.9
149.05972	6.6
150.03094	4.1
151.03879	3.5
153.05531	5.5
161.02385	8.6
161.04506	1.5
161.05879	2.3
162.03101	4.4
163.03923	25.5
164.04733	6.4
165.05504	5.1
169.01341	1.2
174.03018	1.6
175.02333	3.2
175.03793	1.8
177.01915	4.4
177.05428	2.9
178.02580	3.3
179.03391	2.7
179.05531	1.7
179.07004	5.7
181.04961	3.9
187.03918	0.9
191.03418	0.9
192.04176	3.5
193.01311	1.5
193.05006	15.8
207.06549	6.4
209.04625	2.0
211.06081	8.9
221.35776	0.9
254.05841	16.4
255.06554	7.7
267.06897	1.5
268.07211	1.9
269.08170	35.8
270.08826	11.6
271.09644	1.4
279.06500	1.3
281.08151	1.9
283.09897	5.2
284.10492	8.1
285.11249	4.8
289.05673	6.0
295.06079	1.4
297.07736	1.5
298.08401	4.5
299.09146	1.9
310.08475	3.9
313.07535	1.7
313.10837	17.8
314.11078	1.9
325.10995	1.4
328.09543	8.9
329.10159	2.0
343.11853	55.0
344.12286	4.8
359.11349	1.5
373.12897	36.2
374.13278	2.7
453.83884	0.9
499.11313	1.1
501.12323	6.1
663.19196	100.0
664.19635	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	663.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18923	1.7
55.01735	4.9
57.03315	2.1
59.01239	5.9
61.98689	2.4
65.20752	1.6
69.29548	12.4
71.01247	11.4
73.02804	3.8
83.01254	64.0
83.38523	1.6
84.01643	2.1
85.02801	3.1
85.31647	1.7
87.00761	1.8
89.02298	4.4
96.95872	3.0
99.00764	12.7
101.02322	27.2
109.02143	3.3
109.02836	41.2
113.02306	3.2
117.03310	2.3
119.04896	3.5
121.02837	3.3
123.00770	4.1
123.04414	5.3
126.99426	3.0
127.00272	38.7
133.02827	3.2
134.03654	3.0
135.04379	3.9
136.01569	19.6
141.01839	3.1
145.02863	4.6
146.03635	5.5
147.04436	4.0
148.01520	9.1
148.04999	2.6
149.02266	3.1
149.05978	7.5
150.03133	6.3
151.03912	27.6
153.05455	6.6
161.02345	10.4
161.04475	2.4
161.05971	2.5
163.03908	20.2
164.01060	13.7
164.04597	5.8
165.01855	12.6
165.05408	2.3
166.02609	17.6
167.03325	5.0
175.03902	2.8
177.01898	2.3
177.05482	5.5
178.02594	5.9
179.03383	5.5
179.07034	15.3
181.04988	77.6
182.05261	3.1
193.05022	14.2
211.06108	12.8
221.04390	3.4
254.05867	4.1
255.06541	2.2
269.08170	9.5
270.08905	3.1
284.10397	1.8
289.05670	4.3
298.08426	2.2
300.30045	2.0
307.08057	2.5
313.10788	5.2
343.11826	13.3
344.12125	3.4
373.12851	12.5
463.22662	1.9
501.13858	3.3
663.19220	100.0
664.19391	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	663.3747
Annotation	Rubuside J
Peak:m/z	Relative Intensity
51.02270	1.0
52.29790	0.9
55.23907	1.0
59.01249	8.2
61.10229	1.2
61.98704	19.4
65.03827	1.1
71.01252	2.8
71.51473	1.6
78.95776	3.3
83.04877	1.0
85.16187	1.0
85.42775	1.0
89.02322	3.5
99.00772	1.2
101.02350	2.3
111.08048	1.8
113.02404	1.4
119.03481	1.1
135.04436	1.4
135.36821	1.0
145.02850	2.8
152.99500	2.3
161.02388	2.2
179.03450	1.8
221.11957	1.1
391.81818	1.3
421.31015	3.3
439.32050	16.1
440.32510	1.9
457.33307	13.3
458.33450	1.7
481.44321	1.0
483.30984	7.1
484.31467	1.9
501.32214	88.3
502.32565	15.5
543.33197	1.4
663.37524	100.0
664.28394	1.4
664.38080	23.3
693.53882	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00456	0.4
59.00988	0.5
59.01254	5.7
60.99184	1.0
61.98711	0.8
70.88790	0.5
70.89127	0.8
71.01252	3.6
72.99207	0.5
73.02808	0.5
83.01326	0.3
85.02812	1.0
89.02325	1.7
98.35667	0.4
101.02332	1.8
113.02320	1.4
113.92524	0.3
119.03394	0.5
133.02878	0.6
135.04388	0.4
145.02887	0.4
161.02379	1.1
179.03400	0.4
213.14989	0.4
325.93365	0.4
376.01175	0.3
405.28159	3.1
406.28616	0.5
421.31152	10.0
422.31512	1.5
439.32230	10.0
440.32565	1.2
483.31302	1.3
501.32260	17.1
502.32687	3.3
543.33276	0.8
663.37549	100.0
664.37952	24.0
664.46753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14944	0.3
58.00455	0.4
59.01252	9.8
61.98695	0.3
68.99694	0.3
70.37850	0.9
70.38213	0.3
71.01250	6.5
72.99172	0.8
73.02812	0.7
78.95770	0.3
79.37391	0.3
83.01260	0.9
85.02837	1.7
85.99986	0.3
87.00768	1.2
87.38907	0.3
89.02313	4.0
95.01254	0.4
99.00747	0.5
101.02325	4.3
113.02323	2.4
116.92709	0.4
119.03381	1.1
123.61546	0.4
125.02355	0.3
161.02350	0.7
161.04433	0.4
223.10645	0.4
303.70694	0.3
355.26517	1.5
377.28662	0.6
379.30005	0.7
413.34250	0.8
421.31076	1.3
423.29034	17.9
424.29419	3.0
437.30545	1.3
439.32068	3.6
440.32175	0.7
457.33273	7.9
457.39590	0.4
458.33521	1.4
465.30640	0.6
483.31247	1.4
501.32184	14.3
502.32495	2.5
543.33118	0.8
601.37524	2.5
619.38940	0.4
645.36450	0.7
663.37476	100.0
664.37811	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90425	0.4
52.98203	0.4
58.00448	0.5
59.01249	3.7
60.99176	0.8
61.98705	1.0
71.01241	2.0
71.04897	1.5
71.06842	0.4
75.13973	0.4
85.02821	1.0
89.02335	1.2
101.02316	1.1
113.02300	0.8
114.98881	0.4
201.73994	0.4
377.36633	0.4
379.29919	0.7
399.21225	0.5
421.31195	5.0
422.31372	1.0
437.30289	0.6
438.31400	0.5
439.32196	8.4
440.32550	1.7
441.30292	0.8
457.33276	3.3
483.31158	11.8
484.31656	2.2
501.32224	100.0
502.32599	19.3
543.33319	6.7
544.34021	1.0
603.35455	0.6
663.37524	89.3
664.37891	20.6
681.38800	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	663.3902
Annotation	Bisandrographolide B
Peak:m/z	Relative Intensity
59.01269	0.3
62.60710	0.2
62.85489	0.3
69.80361	0.5
69.80764	0.9
71.04868	0.4
72.92448	0.3
76.88485	0.3
77.03831	0.5
89.03820	0.4
95.04904	0.7
98.20460	0.4
99.04752	0.3
105.03335	2.6
117.03379	0.6
119.04916	0.7
123.04438	0.4
132.02068	7.6
133.02856	17.8
134.03654	8.6
135.04387	0.5
136.01549	0.5
137.02258	0.4
137.39700	0.3
147.04410	0.5
149.06029	2.3
160.01575	36.3
161.02313	2.5
175.03926	38.9
176.04289	1.4
177.01859	4.2
178.02698	0.5
179.03430	0.8
192.04218	0.4
193.04999	7.3
194.05322	0.5
277.44925	0.4
407.15308	0.8
416.15735	0.6
469.33276	0.5
505.29651	0.4
513.32336	0.4
514.33325	0.3
534.20154	0.5
604.37781	1.0
619.39612	1.7
620.40942	0.4
630.35425	0.4
645.38135	1.5
646.39160	0.4
648.36639	2.6
649.37091	0.6
663.39026	100.0
664.39404	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	665.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.3
57.03311	0.6
57.11905	0.2
58.00468	0.4
59.01249	6.9
61.98693	1.0
62.65790	0.2
71.01255	7.8
71.10545	0.2
72.99187	0.6
73.02824	1.0
75.00742	0.3
83.01266	0.8
83.04888	0.3
85.02826	5.3
87.00751	0.7
88.98695	0.4
89.02318	3.2
92.95046	0.3
95.01271	2.5
95.04922	0.3
96.09743	0.2
99.00770	0.6
101.02329	2.5
103.03912	0.3
105.03355	0.7
109.02862	0.7
113.02332	11.8
114.02622	0.6
115.01836	0.3
117.03365	1.1
119.03394	1.1
119.04916	2.5
120.05274	0.2
123.04420	1.9
125.02338	0.5
132.02078	2.7
133.02850	36.0
134.03252	1.1
135.04413	12.5
136.01616	0.3
136.04732	0.5
137.02342	0.6
137.83304	0.3
143.03409	0.5
143.97330	0.3
145.02882	0.6
149.06018	0.3
151.03859	0.3
151.58632	0.3
153.05452	1.1
160.01572	2.1
161.02351	100.0
162.02679	4.6
163.03929	2.2
164.04320	0.3
165.01869	0.4
165.05562	0.2
166.02635	0.6
175.03914	3.1
177.01901	0.4
177.05609	0.3
179.03427	2.8
179.05087	0.3
179.05411	0.3
181.05013	0.6
193.04948	0.7
297.09888	0.6
315.10849	1.2
320.88644	0.2
341.10092	0.4
344.64417	0.3
461.16656	4.6
462.16797	0.4
489.16211	0.5
503.17633	4.2
503.33853	0.3
504.18451	0.4
561.29034	0.7
579.29797	0.4
589.67426	0.3
611.59418	0.3
623.19604	1.4
665.20813	43.7
666.21167	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	665.2148
Annotation	fagopyritol A3
Peak:m/z	Relative Intensity
52.88821	1.7
57.03315	3.1
58.00459	2.3
59.00957	3.7
59.01250	73.7
63.74274	1.8
69.31912	15.0
71.01253	64.7
72.01569	2.0
72.99178	3.9
73.02836	10.4
83.01289	4.8
85.02814	12.0
87.00750	23.4
89.02321	74.5
95.01269	2.3
97.02840	4.4
99.00795	2.8
99.04379	3.3
101.02326	68.6
113.02346	34.0
116.02213	2.0
119.03405	19.7
125.02317	9.1
131.03383	4.1
131.14949	2.1
141.01784	2.8
143.03415	17.0
149.04465	3.6
161.04463	25.3
179.05527	64.7
194.55331	2.0
201.28542	2.2
203.05566	10.5
221.06625	24.1
237.21835	2.0
263.07626	2.5
281.08804	2.5
323.09839	5.8
323.13403	15.2
341.10901	42.1
342.11230	3.8
383.11960	100.0
383.16986	5.0
384.12244	8.1
425.12885	3.9
443.13953	15.5
485.15082	23.9
500.20840	2.4
503.16052	4.2
621.88959	2.0
665.21381	73.4
666.22021	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	665.2147
Annotation	fagopyritol A3
Peak:m/z	Relative Intensity
59.01250	84.2
64.46616	4.9
66.21177	3.5
70.53012	4.2
71.01259	62.7
71.03162	3.4
72.99162	4.8
73.02824	11.5
83.01299	3.9
85.02808	13.5
87.00740	21.2
89.02321	60.9
96.95885	12.8
97.02856	5.1
98.97465	4.0
99.00745	4.8
101.02319	66.0
113.02328	28.3
119.03397	11.0
122.17155	3.7
123.80875	3.7
125.02341	7.2
143.03409	14.0
161.04427	11.4
163.02419	4.7
179.05531	71.5
182.73157	4.3
203.05515	9.6
218.93428	3.7
221.06602	16.5
229.31927	5.0
267.06372	3.7
275.52448	3.8
281.08710	4.9
323.09818	10.3
341.10858	39.7
383.11993	100.0
384.12326	7.0
439.84329	4.2
443.13882	13.9
485.15106	23.3
665.21442	75.3
666.21649	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	665.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.5
59.01248	6.0
61.98692	2.4
69.42964	1.6
69.43393	1.4
71.01258	5.3
72.81702	0.4
72.99194	0.6
73.02817	1.5
83.01274	1.1
85.02823	3.1
87.00774	1.7
89.02319	2.4
93.03350	0.7
95.01278	0.8
96.95940	0.5
98.19823	0.7
99.00720	0.8
101.02323	3.0
108.02029	0.4
109.02831	1.2
113.02324	3.6
117.03349	28.8
118.03683	1.3
119.03395	0.8
119.04913	14.0
120.05205	0.6
121.02868	1.1
122.03539	0.6
123.04424	0.6
125.02393	0.4
130.08635	0.5
131.03375	0.5
133.02890	2.3
133.06451	0.4
134.03683	0.6
135.04404	1.5
136.01566	14.8
137.02310	1.8
145.02855	100.0
146.03221	4.8
147.04405	0.8
151.03925	14.3
156.31071	0.4
159.04405	1.1
160.01472	0.4
160.05219	0.6
161.02345	7.9
161.04489	0.9
161.05978	1.4
163.03912	11.8
164.04230	0.5
175.03963	1.3
175.83929	0.4
176.04665	1.5
177.05524	0.4
179.03384	1.3
179.05536	0.6
187.03952	2.0
189.05431	0.6
191.07071	1.1
192.99544	2.2
193.05000	1.1
203.07079	0.7
205.04979	0.5
209.02782	0.7
219.23073	0.4
235.00760	0.8
247.05936	0.9
249.06155	0.5
267.06848	0.4
279.06696	1.1
294.09036	0.7
307.08221	47.9
308.08511	4.1
312.10001	0.8
313.10837	0.9
327.12329	2.9
342.11163	0.7
343.11850	13.0
344.12149	1.4
357.13400	3.1
390.13828	0.4
485.32529	0.7
503.33734	10.6
504.34094	0.7
517.31256	0.7
621.39948	1.3
623.36267	0.6
635.21246	0.8
665.21936	25.8
665.37695	2.4
666.22052	5.7
666.39648	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.2
57.03314	0.7
59.01254	3.8
66.86442	0.1
69.03326	2.2
71.01250	2.7
71.04902	0.9
72.99166	0.1
73.02817	0.3
75.00737	0.2
78.95717	0.2
83.01267	0.4
83.04889	0.4
83.67178	0.1
85.02827	0.8
85.06471	0.3
87.00750	0.6
88.34045	0.1
89.02325	1.9
91.03903	0.2
93.03310	0.3
95.01233	0.2
95.04919	0.5
97.02853	0.2
97.06496	0.2
101.02327	2.0
104.85770	0.1
109.06488	0.6
113.02335	1.2
117.03345	1.5
118.63602	0.2
119.03406	0.5
119.04919	1.7
121.02817	0.4
123.04402	0.2
125.09579	0.3
135.04417	0.6
141.09135	0.4
145.02856	4.0
145.04936	0.5
149.09612	0.6
153.09148	0.2
161.02243	0.2
161.04437	1.1
161.13335	0.3
162.03136	0.3
163.03928	1.6
167.10681	3.1
168.11023	0.2
177.12752	0.7
179.05551	0.4
179.10748	1.3
179.14346	3.6
180.14740	0.2
187.06168	0.2
187.11266	0.2
195.13843	10.6
196.14238	0.8
205.12280	10.7
206.12587	0.8
223.13351	100.0
224.13673	7.2
224.15918	0.3
235.08228	2.3
236.08575	0.2
253.09270	5.8
254.09689	0.3
353.17804	0.1
369.20938	0.2
385.23578	0.2
403.24997	0.3
411.25311	0.9
411.47992	0.2
421.31018	0.3
429.26401	1.1
430.27579	0.2
441.21176	1.6
442.21616	0.2
459.22348	10.3
460.22760	1.5
485.33105	0.2
587.37366	1.8
588.37811	0.3
595.30847	0.3
603.36688	0.7
604.37720	0.3
621.32489	0.3
631.36377	0.3
647.34644	1.3
665.36090	1.3
666.35864	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.3
58.00464	0.2
59.01248	1.7
61.98694	0.5
71.00900	0.2
71.01261	2.4
71.04894	0.2
71.52280	0.2
73.02825	0.6
83.01266	0.2
85.02820	1.1
87.00714	0.2
89.02327	0.7
94.97983	0.1
95.01269	0.4
96.95880	0.2
99.00770	0.2
101.02322	1.3
113.02322	1.6
115.00280	0.3
119.03399	0.3
121.06450	0.1
123.04412	0.2
129.10098	0.1
133.02852	0.5
135.04428	0.4
145.02855	0.5
149.00533	0.1
160.01575	0.1
161.02364	2.2
161.04469	0.5
162.02754	0.2
165.00053	0.1
175.03851	0.3
179.03412	0.3
179.05417	0.1
191.01668	0.2
191.14377	0.2
192.99602	0.7
193.05064	0.3
209.02773	0.3
216.99626	0.2
235.00665	0.7
257.15149	0.2
310.09497	0.2
357.25974	0.2
359.27649	0.2
363.26923	0.2
373.25275	0.3
377.28510	0.3
379.29883	0.4
387.26990	0.2
389.28827	0.3
391.30280	0.3
393.31635	0.4
401.28476	0.8
402.29080	0.2
407.29565	1.2
408.29843	0.3
409.31232	1.9
410.31528	0.3
417.28091	0.4
419.29633	0.6
421.31171	3.2
422.31390	0.5
425.30505	1.0
435.29248	0.3
438.37405	0.1
439.32156	0.8
440.32343	0.1
441.33722	7.0
442.33865	1.1
453.30051	0.9
455.31607	0.4
457.33231	2.6
458.33524	0.4
459.34793	0.5
473.26508	0.2
473.32751	2.2
474.32880	0.3
485.32727	3.4
486.33133	0.5
503.33765	100.0
504.34119	16.5
517.32190	0.4
518.31873	0.2
545.34827	0.2
621.40247	1.7
622.40424	0.4
649.39856	0.3
650.39661	0.2
651.40503	0.2
665.19141	2.1
665.37671	1.5
666.19403	0.7
666.38385	0.3
679.36877	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.391
Annotation	Niga-ichigoside F1
Peak:m/z	Relative Intensity
55.01743	1.2
57.03320	1.0
58.00461	0.7
59.01256	13.3
59.86819	0.2
61.98707	0.6
69.78565	0.2
70.60184	0.8
71.01260	11.0
71.04901	0.4
72.99191	0.9
73.02820	2.2
78.19129	0.3
83.01263	1.7
85.02832	5.0
87.00751	0.5
89.02325	5.2
95.01256	0.8
99.00757	1.4
101.02335	10.1
109.91431	0.2
111.47550	0.3
113.02342	4.1
115.03938	0.3
117.03367	0.5
119.03413	1.9
120.36868	0.3
121.02837	0.3
125.09637	0.3
133.02809	0.4
145.02872	1.6
161.02339	0.4
161.04506	0.6
163.03860	0.4
189.73120	0.3
251.73468	0.3
339.54910	0.3
341.23691	0.3
421.31339	0.3
441.33749	1.0
442.34320	0.3
459.34915	0.7
467.31671	0.3
477.11380	0.3
485.32895	1.7
501.31927	0.5
503.33356	1.9
504.34061	0.3
632.12994	0.3
647.37952	0.8
653.84930	0.3
665.39093	100.0
666.39459	19.9
683.40417	1.5
684.40686	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.0
61.98693	0.5
69.24733	1.6
71.01231	0.9
71.04886	0.8
72.99155	0.2
83.04893	0.2
84.17348	0.2
85.02828	0.4
89.02319	0.5
98.20589	0.4
101.02322	0.5
106.32932	0.2
109.38171	0.2
113.02323	0.4
119.03443	0.2
133.02887	0.3
135.74104	0.2
137.02296	0.2
145.02829	0.4
161.02357	1.1
193.05109	0.2
215.64478	0.2
216.97173	0.2
227.33792	0.2
234.38519	0.2
328.01395	0.2
387.29041	0.3
407.29514	0.3
419.29514	0.3
421.30850	0.8
437.30630	0.3
439.32162	0.3
443.31879	1.2
453.30005	0.5
459.34790	0.7
485.32730	11.5
486.33057	1.9
503.33768	100.0
504.34128	16.7
665.19525	0.4
665.38422	1.2
666.38251	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3911
Annotation	Niga-ichigoside F1
Peak:m/z	Relative Intensity
55.01740	0.7
58.00483	0.9
59.01255	10.4
61.98703	6.4
69.75875	1.6
69.76287	1.8
71.01260	12.4
78.95772	0.6
79.85783	0.8
79.93603	0.6
83.01257	0.9
83.04885	4.2
83.73404	0.6
87.00770	0.9
89.02322	13.1
92.15335	0.7
98.19834	0.7
99.31805	0.6
101.02338	7.0
113.02311	2.6
117.03345	4.0
119.03400	2.7
119.04923	1.6
121.02830	1.1
131.03348	1.0
133.02867	2.5
134.03642	1.1
135.04443	1.4
143.03380	1.9
145.02849	1.5
152.99490	0.8
161.02368	9.2
161.04475	2.1
163.03929	2.1
179.03497	1.0
179.03975	1.1
179.05547	8.4
180.29439	0.7
223.13365	1.7
256.66574	0.7
274.33984	1.0
311.03900	0.9
357.27869	1.2
383.22440	0.8
401.27533	1.0
405.31863	1.6
406.31885	0.9
413.30551	1.5
423.32794	2.3
441.33765	1.5
455.31458	1.3
467.31668	13.2
468.32086	2.5
485.32742	100.0
486.33069	17.9
503.33862	3.1
511.30789	1.2
571.91003	0.7
603.36993	2.0
664.61938	0.8
665.38086	17.6
666.38110	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	665.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25015	0.3
52.20623	0.3
52.69540	0.3
53.68942	0.3
55.01755	0.7
57.03333	0.8
58.00470	0.7
59.01249	10.3
61.98708	4.1
71.01257	9.4
71.04935	0.3
71.51379	0.5
72.99194	0.8
73.02830	2.6
74.02370	0.6
75.00745	0.6
78.95788	0.9
83.01270	1.9
83.04934	0.5
84.00253	0.3
85.02821	5.0
87.00747	1.0
89.02311	2.7
95.01280	0.8
96.00780	0.7
96.95881	0.4
97.02848	0.4
99.00763	1.6
101.02319	6.5
107.04947	0.4
109.02836	0.6
113.02333	4.2
117.03345	3.0
119.03374	1.1
119.04929	1.6
121.02824	0.8
122.03612	0.4
123.04429	0.8
133.02864	0.9
134.03615	2.0
135.04413	1.4
137.02339	0.6
143.03378	0.4
145.01677	0.5
145.02855	9.2
146.03183	0.5
147.04425	1.5
148.19058	0.3
149.02327	1.1
149.05968	0.4
150.03171	0.3
151.03922	0.5
159.04372	0.4
160.01537	0.5
161.02345	2.9
161.04424	1.6
162.03062	0.7
163.03920	2.2
175.03993	0.4
177.01788	0.4
177.05473	0.7
179.03418	3.7
179.05612	0.4
183.94810	0.4
187.07494	0.5
189.05615	0.6
193.04980	2.1
209.11923	1.6
215.07072	1.2
257.08154	1.2
285.04071	0.4
297.07715	3.7
307.08215	7.5
308.08560	1.0
357.09756	6.4
358.10303	0.7
439.32315	0.6
459.34433	0.8
485.32281	0.4
486.48969	0.5
503.33871	8.5
504.34000	1.4
518.57288	0.4
605.35199	1.2
621.25513	0.4
621.40094	0.4
623.36340	1.3
665.39056	100.0
666.39618	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	665.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11427	0.3
53.12036	0.3
55.01752	0.9
57.03323	0.8
58.00468	0.5
58.61122	0.3
59.00957	0.6
59.01248	9.0
61.98703	3.9
69.32816	2.6
71.01252	8.3
72.99182	0.8
73.02812	2.4
75.00742	0.5
78.95754	0.5
81.06978	0.3
83.01251	1.7
83.04883	0.4
85.02821	4.1
87.00745	1.2
88.98666	0.4
89.02327	2.8
89.91772	0.3
93.03314	0.4
95.01262	0.8
97.02859	0.4
98.20534	0.5
99.00750	1.5
101.01705	0.5
101.02324	6.6
105.22359	0.3
109.02858	0.8
111.00729	0.4
111.20779	0.4
113.02321	4.3
116.92785	0.3
117.03376	2.3
119.03375	1.2
119.04906	2.4
121.02805	1.1
122.95348	0.3
123.04394	0.6
125.02325	0.6
133.02831	1.0
134.03654	1.6
135.04422	1.3
135.08060	0.3
137.02325	0.5
138.31264	0.3
145.02858	10.8
146.03206	0.5
147.04425	1.9
149.02342	0.5
149.06026	0.4
151.03880	0.6
159.02959	0.3
159.04387	0.4
160.01581	0.8
161.02359	2.8
161.04475	0.8
162.03154	0.5
163.03954	1.6
175.03915	0.7
177.05441	0.5
179.03421	3.6
179.05566	0.8
187.07617	0.7
193.04976	1.8
209.11780	1.2
215.07042	1.3
256.54477	0.4
257.08243	0.8
291.31778	0.3
297.07654	3.3
298.08041	0.5
307.08246	8.5
308.08447	0.8
357.09772	7.7
358.10120	1.0
439.32596	0.3
457.33264	0.4
459.34735	1.1
485.32584	0.6
503.33908	8.6
504.34177	1.4
517.31647	0.5
568.18176	0.4
605.35400	1.4
621.40033	0.5
623.36304	1.2
665.39032	100.0
666.20831	0.7
666.39508	17.5
677.04523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.0
59.01250	12.9
61.98691	1.5
65.00195	0.8
70.79771	0.7
70.99968	1.5
71.00311	0.8
71.01253	27.6
72.01599	0.8
72.99175	18.5
73.02821	3.0
74.32518	0.9
75.00751	10.2
83.01242	3.8
85.02820	22.9
87.00764	6.2
89.02327	6.5
95.01263	5.5
97.02834	1.0
99.00761	10.1
101.02328	3.6
103.00240	6.6
107.01225	1.4
109.02870	0.8
111.00865	0.9
111.11486	0.9
112.82609	0.7
113.02327	34.5
113.76119	0.9
114.02682	1.2
115.00286	3.5
117.01838	1.8
119.24105	0.9
123.04362	0.9
129.01894	1.1
131.03435	2.8
133.01320	1.2
133.02846	2.0
134.03616	1.6
135.04410	2.2
136.98717	1.9
137.88284	0.8
149.06006	1.6
151.00249	1.0
152.01016	1.8
157.01320	1.5
160.01541	1.3
161.02357	2.7
165.01845	1.4
167.03444	1.1
175.02403	6.8
179.03410	1.8
193.03467	19.7
193.04974	1.3
194.03812	1.1
199.03979	1.0
216.04204	0.9
235.04590	1.3
243.03023	1.0
253.13145	0.8
255.02972	3.3
271.02484	1.6
272.03073	1.8
283.02432	2.5
284.03125	1.5
285.04083	0.9
289.05551	2.4
300.02744	22.4
301.03262	4.6
314.04559	1.2
315.01721	2.1
315.05072	36.0
316.05325	2.7
323.07965	0.9
333.04816	1.5
337.09311	1.2
351.05676	100.0
352.05984	5.3
357.06372	1.1
430.10507	0.8
475.85458	0.9
505.13797	2.5
649.69604	0.9
667.10834	6.2
668.11218	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.2
58.95700	0.5
59.01252	7.8
60.23434	0.5
60.99179	17.6
61.98698	1.3
71.01256	11.2
72.99185	0.8
73.02830	1.0
83.01261	0.7
85.02818	7.5
87.00728	0.8
88.98681	100.0
89.02324	3.7
89.99012	0.8
93.03343	1.1
94.82471	0.5
95.01241	3.2
97.02812	0.7
101.02333	4.1
107.04893	0.7
108.02060	0.7
113.02333	12.2
117.03341	1.2
119.03380	1.1
121.02864	1.7
123.04395	2.0
131.01288	0.7
132.02081	5.2
133.02870	7.6
134.03642	12.7
135.04318	2.4
137.02367	1.3
137.05956	1.8
139.03912	1.1
143.03438	1.5
145.02679	0.6
147.00804	1.1
147.04443	0.9
148.01607	3.9
149.02304	1.9
149.05994	1.8
150.03123	1.6
153.05472	0.8
159.00795	1.5
160.01575	12.6
161.02364	23.7
161.04495	2.1
162.02773	1.2
163.03931	2.8
164.21584	0.5
165.01894	1.6
165.05507	1.1
167.03465	0.7
173.71188	0.6
175.03941	16.1
176.01086	14.6
176.04254	1.1
177.01778	2.4
178.02605	1.2
179.03426	1.8
183.06548	0.7
190.99823	0.7
191.03453	22.4
192.03725	1.3
193.05017	20.0
194.05328	2.1
209.04485	10.1
209.06335	0.9
210.04765	0.6
329.12500	1.1
475.18173	4.7
491.17685	3.1
503.33746	1.9
504.34164	7.8
505.34396	2.2
577.19226	17.5
578.19434	2.5
667.22363	14.8
667.32092	0.7
668.22699	2.9
684.54053	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23107	1.7
57.03316	4.7
58.00473	2.9
59.01249	31.3
60.99188	10.4
61.98705	7.4
64.47832	1.6
69.44194	10.5
71.01251	38.3
72.99184	4.5
73.02819	3.2
81.03354	1.5
83.01257	2.4
85.02345	2.9
85.02821	33.5
87.00740	5.1
88.98680	74.9
89.02312	15.4
89.03838	2.3
93.03320	2.4
95.01254	14.9
97.02809	2.4
98.20530	3.3
99.00756	3.8
101.02338	13.9
104.02555	2.2
107.04868	2.1
108.02045	2.3
111.00781	1.8
113.02333	61.4
117.03339	5.0
119.01334	1.4
119.03358	3.6
119.04958	2.0
121.02837	8.3
122.03686	1.6
123.00698	1.7
123.04417	4.8
124.01557	9.0
125.02312	3.3
131.01253	3.8
132.02060	18.9
133.02892	9.1
134.03632	68.3
135.04228	3.3
136.01501	3.1
137.02312	6.0
137.05968	7.2
138.03101	2.3
139.03889	4.4
141.01762	2.1
143.03407	7.2
145.02803	2.3
145.64883	2.0
147.00766	4.4
147.04433	3.9
148.00446	2.2
148.01566	16.0
149.02356	9.7
149.05984	8.0
150.03119	11.4
151.03819	3.0
152.04651	1.8
153.05441	6.0
159.00772	9.8
160.01564	57.8
161.02362	25.7
161.04381	9.2
162.02902	1.7
163.00346	1.6
163.03951	7.8
164.04442	2.7
165.01843	5.7
165.05492	7.3
167.07018	2.6
175.03918	79.7
176.01068	78.9
176.04314	6.0
177.01833	13.3
178.02591	4.7
179.03430	4.8
183.06612	3.3
190.99783	4.6
191.03423	100.0
192.00583	1.7
192.03822	3.2
193.04999	79.5
194.02176	1.9
194.05276	11.2
195.02875	3.7
209.04500	51.6
210.04767	1.9
329.12637	4.0
337.09290	1.8
374.99069	1.7
398.21109	1.6
473.16272	1.9
475.18304	23.1
476.18570	3.4
491.17654	15.6
504.34265	8.3
505.34576	5.4
577.19006	12.2
578.19775	2.5
586.59631	2.0
667.22351	65.5
667.33026	2.6
667.39606	4.1
668.22717	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	667.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19226	0.1
55.01761	0.2
57.03334	0.3
59.01251	1.8
61.98701	1.1
63.23285	0.1
67.01781	0.2
69.54854	1.1
71.01263	1.6
72.76827	0.1
72.99203	0.2
73.02838	0.5
75.00757	0.3
76.37926	0.2
81.03348	0.6
83.01289	0.5
83.02364	0.2
85.02837	0.7
87.00748	0.3
88.98698	0.5
89.02328	0.7
89.03841	2.0
90.94927	0.1
93.03342	0.2
95.01293	0.2
95.04906	0.3
96.95898	0.2
98.20473	0.2
98.21051	0.1
99.00792	0.2
101.02339	1.2
104.02547	0.3
105.03352	3.4
107.01280	0.2
108.02058	0.3
109.02864	0.2
111.00759	0.6
113.02325	1.0
115.00253	0.2
117.03351	0.2
118.65704	0.1
119.03431	0.2
119.04926	0.8
121.02850	0.5
123.00767	2.0
123.04400	0.3
124.01556	1.3
132.02040	0.5
133.02855	9.4
134.03610	0.6
135.04431	0.5
137.02354	0.4
139.00279	0.2
145.02856	0.4
148.01555	0.3
149.02345	1.5
150.03136	0.3
151.03938	0.4
152.01053	0.2
160.01563	1.6
161.02373	1.1
161.04443	0.3
163.03876	0.8
165.05528	0.2
175.03929	2.5
176.01079	0.5
177.01852	100.0
178.02193	4.4
179.03415	0.7
187.07626	0.3
193.04994	0.4
257.08258	0.3
266.21869	0.2
272.06885	1.1
287.09256	6.6
288.09741	0.7
293.09064	0.2
368.71698	0.2
430.82361	0.1
491.17404	0.2
503.33951	0.2
504.34039	0.3
505.17212	0.3
505.34698	0.5
577.19141	0.4
595.20355	1.7
596.20703	0.3
622.39923	0.2
637.11877	0.2
637.21564	1.0
666.39258	0.5
667.22253	8.4
667.30524	0.4
667.40210	0.3
668.22955	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	667.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.3
57.03305	0.9
59.01252	19.6
61.98692	3.3
63.83755	0.9
69.03320	4.4
70.85697	1.5
71.01251	11.1
71.04905	1.1
72.99169	1.0
73.02825	2.3
80.02550	1.2
81.03315	3.3
83.01252	2.0
83.04895	4.0
84.02094	0.9
85.02823	4.3
87.00748	2.3
88.81708	0.7
89.02322	6.3
93.03323	0.9
95.04879	1.9
97.02823	9.2
97.06449	1.7
99.00777	1.5
101.02324	9.8
106.04121	0.9
107.04894	1.9
109.06477	40.2
110.03627	2.4
110.06784	1.1
111.04379	1.0
113.02314	5.1
119.03366	1.7
121.02818	1.4
121.06465	3.3
123.04404	1.5
123.08009	1.0
125.02312	1.7
125.09589	2.1
135.08083	5.3
136.05171	2.6
142.02583	2.1
143.03273	0.9
145.04907	1.3
149.09579	1.3
161.04460	3.0
161.09624	2.5
163.11203	19.8
164.11424	1.6
167.10646	3.8
171.10214	0.9
179.10669	2.0
179.14294	2.8
179.35936	0.9
181.12259	6.1
185.11789	4.0
189.09081	2.6
195.13820	10.4
205.12289	10.7
207.10204	100.0
208.10524	6.3
209.11781	1.5
223.13358	75.4
224.13667	5.6
225.11273	55.9
226.11603	3.5
235.08208	6.0
253.09244	13.6
261.14902	0.9
263.12888	1.6
281.13995	1.2
287.16449	1.0
299.14798	2.1
325.21750	1.5
351.23285	2.5
369.20499	1.9
369.24594	1.8
377.21375	1.3
385.23947	5.2
387.21454	1.2
387.25827	1.3
395.22275	9.1
396.22675	1.6
403.24802	4.4
413.23270	22.1
414.23758	3.8
431.24316	9.5
432.25165	1.2
443.19327	6.7
459.22293	4.4
461.20328	17.4
462.20563	3.0
487.34430	2.9
505.27991	1.3
552.61481	0.9
621.32550	2.7
623.30670	1.2
631.31006	5.7
632.32031	1.6
649.32257	37.1
650.32306	7.9
667.33325	41.4
668.33600	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69327	1.2
59.01256	7.7
61.98703	2.5
69.03336	1.6
71.01247	2.1
71.05670	1.2
71.43787	2.1
78.95768	18.0
83.48927	1.3
110.98410	14.9
111.30740	1.2
113.02370	1.4
133.02898	1.9
135.04410	2.3
147.35252	1.3
161.02376	5.9
167.01073	5.2
167.10722	4.1
171.10194	11.1
179.03468	2.6
179.14342	4.4
180.49158	1.3
195.13872	16.2
196.14221	1.4
202.06323	1.4
205.12265	9.5
223.13361	100.0
224.13710	7.4
256.13284	1.4
275.20178	1.9
277.21817	7.8
293.21231	61.0
294.21561	5.6
299.04468	2.9
388.14343	1.3
391.15271	3.1
407.15393	1.6
407.65564	4.9
461.23108	7.5
666.83044	3.3
667.36096	32.3
668.36621	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	667.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.7
57.03312	2.9
58.00460	1.4
59.01250	40.8
59.95589	0.7
61.98694	5.0
63.71558	0.7
66.24437	0.6
71.01257	43.4
72.01579	0.7
72.99195	3.7
73.02825	8.3
75.00744	1.0
81.39895	0.6
83.01260	5.4
85.02824	17.1
87.00732	2.7
88.98666	1.5
89.02312	19.4
95.01253	3.9
96.95895	4.6
97.02842	1.2
98.20644	1.3
99.00751	4.0
101.02322	27.3
101.34726	0.9
102.02685	0.7
109.02837	1.6
111.00769	2.0
113.02326	17.3
117.03355	3.4
119.03381	7.1
119.04881	2.6
121.02834	0.8
123.04404	0.7
125.02292	1.3
129.01859	0.7
130.51076	0.7
131.03375	1.1
133.02859	1.8
133.98676	0.6
134.03552	0.8
135.04376	1.2
136.01572	1.2
137.02371	1.4
138.27423	0.7
143.03357	2.1
145.02864	14.3
147.04393	1.2
149.04391	0.7
149.06004	1.0
151.03897	0.9
159.02879	2.0
159.04343	1.3
160.05161	0.7
161.02364	3.9
161.04517	5.0
161.05777	1.4
163.03903	2.4
175.03880	0.8
175.07564	1.2
179.03430	2.0
179.05516	2.3
180.04005	0.6
183.13715	0.7
193.05003	1.1
215.49100	0.7
282.08963	1.5
290.60614	0.8
297.11322	3.7
307.08249	7.2
327.12405	2.1
329.42746	0.6
343.28574	1.1
345.13416	2.2
375.14618	1.0
409.30334	0.9
421.30704	1.2
421.99069	0.6
422.31656	1.0
423.31653	1.0
441.34079	0.8
442.34106	1.8
443.34384	2.8
455.31293	0.8
458.33664	0.8
487.32849	2.7
503.33734	10.5
504.34167	25.0
505.34280	58.5
506.34573	5.0
637.11487	0.8
667.39148	100.0
668.39490	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	667.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12094	0.5
58.00459	0.9
58.56285	0.5
59.01254	15.4
61.98699	3.9
69.03332	0.6
71.01255	17.2
71.04890	0.9
72.99181	0.9
78.22585	0.6
83.01273	0.6
85.02829	1.7
86.27565	0.5
87.00737	1.0
89.02318	19.2
95.04945	0.5
97.02845	1.0
101.02326	7.9
109.06491	2.5
112.93761	0.5
113.02332	4.0
118.00352	0.5
119.03403	3.1
125.09628	0.4
131.03392	1.2
141.31740	0.5
143.03404	2.2
149.04419	1.2
161.04466	3.1
163.11195	2.0
179.05547	12.0
179.14333	0.5
195.13826	2.0
205.12350	1.6
207.10211	7.8
208.10385	0.6
223.13356	10.1
224.13747	1.1
225.11258	3.3
235.08116	1.0
253.09264	1.4
331.51794	0.5
377.28680	0.6
395.22287	0.6
407.33093	1.4
413.23502	1.9
425.34091	1.0
427.32394	1.1
431.24408	0.9
459.22534	0.9
461.20343	1.4
469.33237	12.1
470.33487	3.0
487.34305	100.0
488.34650	19.7
649.32562	2.7
650.32458	1.1
667.33118	4.8
668.34210	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08336	0.4
51.57710	0.4
55.13613	0.5
58.00458	1.1
59.01250	8.8
60.99179	0.7
61.98700	2.2
71.01256	11.3
75.42915	0.4
77.15134	0.4
78.95767	0.6
82.31386	0.5
83.01253	0.8
85.02827	0.8
85.72529	0.5
87.00720	0.9
89.01759	0.7
89.02316	13.1
95.01254	0.6
98.20594	0.8
99.04346	0.6
101.02314	6.3
104.92692	0.7
113.02347	3.7
119.03413	3.0
121.02825	0.7
128.65375	0.4
131.03384	1.0
133.02870	0.7
137.02299	1.4
143.03410	0.9
143.59146	0.5
149.04431	0.7
161.02342	0.5
161.04460	1.9
179.05518	9.0
207.10121	0.7
223.13264	1.4
225.11269	1.7
311.75385	0.5
377.28339	0.7
393.31601	2.2
405.31775	0.8
423.32697	8.9
424.32953	1.0
425.34363	1.1
439.32169	1.7
441.33752	3.4
457.33316	1.5
461.20111	0.5
467.31714	2.7
468.31995	0.7
469.33206	11.4
470.33536	1.7
473.32678	0.6
475.34222	0.7
487.34286	100.0
488.34607	18.1
513.32324	0.8
569.34045	0.7
649.36993	0.8
667.25067	0.6
667.39313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	50.9
61.98711	4.9
71.01252	15.2
73.02812	1.3
76.69913	0.9
77.53568	1.0
78.95786	1.5
85.02806	1.6
87.00746	1.1
89.02309	20.0
101.02315	6.8
109.06419	1.0
113.02308	4.1
119.03411	2.9
121.02855	1.7
124.44357	0.8
125.09608	0.9
128.73540	0.8
131.03346	1.2
135.04352	1.0
143.03380	1.5
149.04437	1.3
161.04433	2.0
163.59500	0.8
171.10168	1.4
179.05504	10.3
195.13843	2.2
205.12282	2.9
207.10242	1.3
209.11891	0.8
211.13231	1.3
223.13338	42.8
224.13683	3.0
225.11281	1.2
255.15941	0.9
297.17001	1.6
309.20523	1.1
327.21744	9.0
328.22073	1.2
351.73834	1.2
487.34265	100.0
488.34537	15.6
591.77539	1.1
667.24268	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	667.407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.6
57.03316	3.6
58.00470	1.6
59.01252	29.6
60.99184	2.9
61.64894	0.8
61.98701	7.4
66.13011	0.7
71.01257	44.7
71.52254	1.0
72.99190	3.8
73.02825	12.8
75.00755	1.6
78.95786	1.1
83.01257	7.0
85.02824	25.3
85.99976	1.4
86.03184	1.1
87.00763	2.7
88.62512	0.8
88.98682	3.9
89.02328	12.6
93.03338	0.8
95.01285	3.3
97.02826	2.0
97.06488	1.3
99.00764	6.1
101.02326	32.0
109.06508	1.0
111.00764	1.2
113.02335	16.8
117.03403	3.5
119.03397	4.5
119.04911	1.5
125.02370	1.1
129.01854	1.3
131.03395	1.1
133.02879	2.6
135.04443	2.8
137.02368	1.7
139.24155	0.8
143.03419	2.4
145.02853	14.5
146.03244	1.3
151.03946	1.0
159.02921	2.6
161.02406	4.3
161.04459	10.6
163.03931	2.1
179.03467	3.7
179.05566	2.2
425.33704	1.1
443.35327	2.5
460.04376	0.8
463.32034	0.8
487.34134	2.2
505.35257	18.0
506.35522	2.2
524.84412	0.8
605.40625	13.1
606.41113	1.8
607.37073	1.1
623.41486	7.2
624.42206	1.0
625.37799	1.2
667.40619	100.0
668.29736	1.2
668.41119	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	667.407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.6
57.03316	3.6
58.00470	1.6
59.01252	29.6
60.99184	2.9
61.64894	0.8
61.98701	7.4
66.13011	0.7
71.01257	44.7
71.52254	1.0
72.99190	3.8
73.02825	12.8
75.00755	1.6
78.95786	1.1
83.01257	7.0
85.02824	25.3
85.99976	1.4
86.03184	1.1
87.00763	2.7
88.62512	0.8
88.98682	3.9
89.02328	12.6
93.03338	0.8
95.01285	3.3
97.02826	2.0
97.06488	1.3
99.00764	6.1
101.02326	32.0
109.06508	1.0
111.00764	1.2
113.02335	16.8
117.03403	3.5
119.03397	4.5
119.04911	1.5
125.02370	1.1
129.01854	1.3
131.03395	1.1
133.02879	2.6
135.04443	2.8
137.02368	1.7
139.24155	0.8
143.03419	2.4
145.02853	14.5
146.03244	1.3
151.03946	1.0
159.02921	2.6
161.02406	4.3
161.04459	10.6
163.03931	2.1
179.03467	3.7
179.05566	2.2
425.33704	1.1
443.35327	2.5
460.04376	0.8
463.32034	0.8
487.34134	2.2
505.35257	18.0
506.35522	2.2
524.84412	0.8
605.40625	13.1
606.41113	1.8
607.37073	1.1
623.41486	7.2
624.42206	1.0
625.37799	1.2
667.40619	100.0
668.29736	1.2
668.41119	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	668.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.7
59.00989	1.0
59.01252	10.6
61.98697	4.1
64.01784	2.0
64.13557	0.7
65.99709	2.0
70.53276	0.8
70.53618	2.3
71.01250	17.1
72.99178	2.6
73.02808	2.1
75.00743	0.8
81.03341	1.2
83.01244	1.7
85.02821	14.6
86.03139	1.0
87.00746	2.4
88.98676	2.3
89.02312	5.3
89.03815	0.8
91.05435	1.0
93.03355	7.3
95.01270	6.1
95.09694	0.7
96.95882	1.7
98.19868	0.8
99.00761	2.6
101.02327	4.4
105.03310	0.9
107.04935	1.4
109.02810	2.2
111.00764	1.1
113.02333	23.5
114.02672	1.1
117.03349	1.0
119.03366	1.1
119.04906	2.3
121.02869	1.3
121.39115	0.7
121.40150	0.6
122.03628	2.0
123.00737	1.1
123.04330	1.0
124.76846	0.7
125.02352	1.3
132.02023	1.9
133.02844	31.9
134.02327	2.2
134.03589	8.3
135.04414	77.3
136.01578	1.0
136.04745	3.2
137.02339	20.7
139.00137	0.8
139.03934	0.8
143.03378	1.3
145.02841	1.4
149.02350	2.2
150.01869	2.1
150.03119	17.9
151.03870	2.6
152.01035	0.9
161.02350	76.0
161.04488	2.6
162.02904	5.1
163.02696	1.2
163.03952	1.7
164.03374	1.5
165.05472	0.8
169.44872	0.7
175.03877	1.8
177.01855	5.4
177.05429	1.5
178.02473	1.7
179.03423	95.3
180.02911	5.5
180.03979	1.8
192.97751	0.7
199.09579	0.9
203.03471	1.4
251.05428	0.8
309.60342	0.8
459.14987	1.8
487.14633	3.6
506.15186	12.8
507.24319	2.3
535.27271	0.9
621.18256	20.5
622.18732	4.1
667.31964	2.4
668.18280	100.0
669.18262	15.3
669.27832	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	669.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14042	1.1
54.19006	1.2
55.93802	1.2
57.03318	2.6
59.01250	10.1
62.80270	1.2
65.00204	3.6
68.99684	2.0
69.03316	1.2
69.43556	3.7
69.43990	4.9
71.01250	19.4
72.99179	16.0
73.02814	4.0
75.00742	7.7
83.01258	5.1
84.65810	1.2
85.02821	17.8
87.00749	5.5
88.73771	1.2
89.02324	5.0
95.01254	7.1
98.19817	2.7
99.00751	8.8
101.02325	5.0
103.00235	3.4
107.01251	3.2
109.02846	8.8
111.00764	9.6
113.02329	26.5
115.00258	2.9
117.01833	3.4
119.66219	1.2
123.00753	2.0
125.02306	7.5
129.01846	2.0
131.03407	2.2
133.02847	5.3
135.00761	2.3
135.04419	2.4
137.02315	4.5
139.00269	17.3
145.86678	1.3
149.02306	3.1
151.00276	13.6
151.03770	1.6
153.01811	6.6
161.02371	3.3
163.00275	14.7
165.01793	4.1
166.99745	1.7
169.01320	2.3
171.04422	1.9
175.02348	5.9
175.03812	2.7
177.01846	5.7
178.99762	8.9
179.03365	2.9
180.00296	1.2
181.01370	10.1
182.02086	1.6
183.16158	1.2
187.03947	1.8
190.99799	6.2
191.01257	1.3
193.01489	2.6
193.03453	17.3
193.05058	2.1
199.03938	2.6
201.01703	1.9
203.03477	3.0
206.99283	5.2
208.00058	2.0
215.03372	1.4
217.04965	2.9
227.03542	6.2
230.02040	2.5
231.02977	6.7
235.04451	1.7
243.02919	5.5
245.04527	3.8
255.02939	3.9
271.02454	15.7
273.04019	8.3
281.06815	1.4
284.03192	2.1
285.04074	11.7
289.03491	2.5
299.01962	34.2
300.02454	8.3
301.03387	2.3
301.75974	1.3
316.01953	1.9
317.03006	100.0
318.03436	10.0
333.04639	2.3
351.05682	53.2
352.05835	3.7
434.31161	1.4
461.07059	2.2
529.15796	1.5
651.08020	3.1
669.09406	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	669.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.6
59.01248	5.1
64.73348	0.3
67.01756	0.3
68.99671	0.4
71.01250	6.7
71.39788	0.6
72.99178	0.7
73.02803	0.7
77.03849	0.4
81.03322	0.5
83.01263	0.5
85.02820	6.0
87.00752	1.6
89.02317	2.8
89.03842	1.3
93.03326	3.0
95.01268	1.9
95.04893	1.0
97.02838	0.5
99.00733	0.4
101.02338	2.1
103.03868	0.4
105.03323	3.1
107.04912	2.0
108.02045	0.6
109.02821	1.9
111.00772	0.8
113.01535	0.6
113.02328	12.1
114.02625	0.6
117.78131	0.4
119.04924	0.7
121.02841	7.5
122.03628	0.7
123.00771	0.8
123.04406	23.8
124.01520	0.4
124.04734	1.3
125.02296	0.6
129.01794	0.7
131.03342	0.4
132.02039	0.6
133.02850	16.3
134.03505	1.4
135.04413	27.4
136.04745	2.3
137.02374	2.6
139.03891	2.3
141.01892	0.4
143.03413	0.8
145.02831	0.4
147.00700	0.6
148.01534	0.5
149.02350	16.7
150.03154	5.5
151.03917	18.8
152.04274	1.2
159.02902	0.5
161.02351	20.3
161.04381	3.4
162.02733	1.7
163.03964	0.7
165.01797	1.1
166.02608	1.4
167.03430	2.9
171.01349	0.4
175.00241	0.6
176.01080	1.4
177.01851	100.0
178.02213	5.9
179.03418	49.9
180.03745	3.5
193.01338	0.5
193.04967	0.8
195.02922	11.0
196.03366	0.7
205.04930	0.4
237.04002	0.6
245.04565	0.5
331.87289	0.3
335.45224	0.4
339.07544	0.5
341.11169	2.2
345.15628	0.6
346.11633	0.3
388.98520	0.4
459.08640	0.6
459.15039	10.8
460.15604	1.6
475.14752	1.1
485.13437	0.7
487.14471	5.2
488.14777	0.9
489.26877	1.4
491.17349	0.7
503.14026	1.0
507.15509	0.8
593.19159	0.5
637.17670	17.8
638.17908	2.6
669.20435	7.6
669.33075	1.9
670.20972	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18412	0.4
57.03321	0.6
58.71943	0.5
59.01250	5.8
59.01500	0.5
61.98692	2.7
70.21648	0.4
71.01249	8.0
72.25605	0.4
72.99197	1.1
73.02814	0.9
74.94318	0.4
75.00743	3.7
78.95795	0.5
79.29319	0.4
83.01263	1.1
83.04891	0.4
85.02830	3.4
87.00769	1.0
88.98666	0.5
89.02299	2.3
89.03883	0.4
93.03356	1.7
95.01299	0.9
99.00776	1.0
101.02342	3.4
108.02080	1.1
109.02844	4.2
111.00797	0.6
113.02332	6.0
117.03349	27.8
118.03662	1.0
119.03495	0.7
119.04919	17.6
120.05274	0.8
121.02845	8.9
122.03651	6.1
123.04426	1.3
124.01568	1.5
126.61642	0.5
132.02074	4.8
133.02870	4.1
134.03644	9.9
135.04448	6.0
136.05185	0.7
137.02354	4.0
139.03903	0.4
145.02861	100.0
146.03186	4.7
147.04424	4.3
148.05188	1.0
149.06009	1.4
150.03090	1.0
151.03894	0.8
152.01073	1.1
153.01881	0.7
154.02596	1.4
159.04366	0.7
160.01578	15.7
161.02362	8.6
161.04556	0.9
161.06017	2.6
162.02759	0.5
163.03918	13.5
164.04424	0.5
165.05489	13.9
166.05865	0.5
173.02376	0.5
173.05978	0.5
175.03931	14.4
176.04344	1.0
177.01830	0.8
177.05611	0.7
179.03429	6.7
179.07054	4.5
187.03943	1.7
189.05391	0.6
191.07056	1.0
193.03349	0.8
193.05009	10.7
193.06754	0.6
194.05244	0.5
203.07089	1.3
205.04907	0.8
235.06104	0.8
237.06087	0.9
246.08855	0.9
247.06100	0.7
247.08940	0.4
287.22202	1.0
298.11963	0.8
307.08231	58.1
308.08569	4.3
313.14343	0.6
315.12317	1.0
343.15396	0.7
346.14185	3.6
347.14990	7.3
348.15054	0.9
361.16522	20.7
362.16916	2.7
414.18195	0.5
459.92245	0.5
505.33997	0.5
507.35223	0.6
625.30975	0.9
669.25787	38.7
670.25891	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	669.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08287	1.3
57.03328	2.3
59.01252	20.7
61.16943	1.3
61.98705	3.3
62.68229	1.4
67.61956	1.3
70.85131	3.3
71.01254	14.8
72.99194	1.8
73.02838	3.4
74.48218	1.5
80.02543	2.2
81.03337	5.6
83.01242	2.8
83.04895	5.6
85.02827	5.6
87.00759	5.2
89.02320	5.8
93.03337	1.6
95.01299	1.9
95.04906	2.5
97.02815	6.3
97.06483	6.4
99.00781	2.1
101.02311	10.6
107.04924	2.7
108.02036	2.5
109.02844	2.0
109.06475	31.9
109.07185	2.4
110.03656	3.3
110.06824	2.3
113.02330	6.2
121.06510	2.3
122.03536	1.3
123.04411	2.1
123.08038	3.2
125.09615	24.3
135.08055	3.9
137.09639	1.8
142.02623	2.3
161.04562	2.7
161.09647	2.7
163.11218	21.3
165.12741	2.2
171.10226	3.5
175.11205	4.9
179.10635	1.6
181.12332	5.0
185.11711	3.1
187.09660	8.0
189.09151	2.5
191.10715	2.6
193.12277	2.2
196.63708	1.4
199.13324	1.4
205.08777	1.4
207.10202	70.7
208.10576	4.5
209.11792	25.3
210.12068	1.9
217.12335	2.1
219.10271	3.8
219.13840	2.3
223.09747	4.4
223.13353	7.4
225.11270	38.3
226.11713	2.7
227.12866	4.5
229.12248	2.3
235.08250	4.8
235.13326	3.3
237.11319	7.0
245.11815	2.6
253.09276	7.5
261.11237	2.6
263.12820	8.3
275.12943	1.8
281.13971	3.1
283.20782	1.5
325.21619	2.0
327.19617	4.4
345.20874	1.4
353.17496	3.3
353.21396	2.4
361.20135	3.1
369.20721	3.8
371.18533	5.1
371.22388	3.9
379.20328	2.2
387.21796	3.7
389.19635	5.8
390.20267	1.9
397.20026	7.5
405.17535	2.2
405.22617	2.6
415.21201	24.1
415.26282	1.9
416.21454	3.2
433.22388	8.1
434.22479	2.2
443.19180	2.7
461.20291	10.1
489.25247	1.5
503.94095	1.6
507.26373	2.2
597.29022	5.1
607.27600	19.5
608.27795	4.7
623.31018	4.2
624.31476	1.8
625.28607	44.6
626.29150	11.6
633.28943	13.0
634.29633	3.2
651.30206	100.0
652.30658	24.1
655.60956	1.6
669.31293	41.2
670.31561	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	669.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.6
59.01250	5.5
61.94424	0.3
63.54059	0.3
68.13512	0.3
69.03315	2.0
69.28736	2.2
69.64266	0.3
71.01257	4.4
71.04900	0.7
73.02835	0.7
80.02557	1.1
81.03339	1.1
83.01266	0.3
83.04900	4.4
84.02042	0.8
85.02833	1.2
85.06465	0.5
87.00763	1.0
89.02312	3.0
91.03859	0.3
93.03366	0.3
95.04912	1.0
97.06454	0.5
101.02328	3.4
108.84053	0.3
109.06468	1.0
111.08040	0.4
113.02349	2.4
119.03400	1.0
123.08032	0.3
125.05995	0.4
125.09619	0.8
133.05057	0.3
135.08051	0.6
135.11671	0.5
141.09171	0.3
143.03429	0.3
145.04910	0.7
149.09625	0.6
153.09082	0.3
161.04492	1.5
161.13295	0.5
163.09975	0.4
163.11201	3.6
164.11612	0.3
165.12788	2.0
167.10684	3.3
171.10194	1.9
177.12685	0.6
179.05534	0.4
179.10799	1.3
179.14316	3.1
180.14670	0.4
181.12256	0.6
190.14850	0.3
191.10728	0.9
195.13846	10.3
205.12288	10.8
206.12680	0.5
209.11772	98.8
210.12102	6.4
223.13347	100.0
224.13686	6.1
227.12836	14.1
228.13229	0.8
235.08180	4.2
253.09271	10.5
253.11894	0.6
254.09514	0.6
261.14957	3.0
262.15421	0.4
280.20206	0.3
298.79437	0.3
315.56387	0.3
317.92627	0.3
323.87909	0.3
397.23666	0.4
415.24973	0.6
441.21255	0.8
445.20496	0.9
450.96442	0.3
459.22333	9.4
460.22388	1.5
533.69305	0.3
553.73206	0.4
633.32660	1.0
634.33295	0.3
651.33600	1.3
669.34576	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87784	1.0
52.62165	1.0
57.03296	1.2
59.01238	3.1
61.98685	4.9
63.58523	1.0
65.66110	1.0
69.03314	2.6
69.56390	5.3
69.56807	2.2
72.68661	1.2
78.95775	18.7
83.12413	1.2
87.61568	1.0
90.22171	1.1
93.67343	1.1
97.06501	1.2
98.20545	1.5
110.98423	12.4
135.09323	1.1
137.82141	1.1
167.01035	6.9
167.10657	4.2
171.10127	1.6
179.10570	1.8
179.14211	5.7
195.13834	22.4
205.12291	10.0
223.13345	100.0
224.13623	5.7
246.53819	1.3
255.23277	1.2
277.21710	11.7
278.21887	2.6
295.22778	70.7
296.23059	6.2
322.52820	1.2
340.61316	1.1
373.14044	1.6
391.15289	3.9
435.08405	1.4
463.24710	7.7
473.87280	1.2
476.35349	1.5
489.18103	1.2
575.74408	1.4
669.26154	2.2
669.37646	39.6
670.38171	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	669.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.9
57.03327	2.0
58.00449	1.1
59.01253	24.3
61.98691	1.3
65.63265	0.4
68.99664	0.4
71.01255	28.5
72.01575	0.8
72.99174	1.2
73.02821	7.0
75.00739	0.8
75.10892	0.3
83.01256	5.2
84.02030	0.6
85.02823	13.6
85.97743	0.4
86.03149	0.5
87.00748	1.5
89.02319	10.2
95.01260	3.5
97.02840	0.5
98.20570	0.8
99.00758	3.1
101.02324	18.0
102.02721	0.4
107.04922	0.4
108.02066	2.2
109.02857	0.9
109.69392	0.4
111.00772	2.4
113.02325	11.8
117.03350	1.0
119.03379	3.1
119.04890	0.6
121.02817	0.6
125.02353	0.8
129.01828	0.7
131.03429	0.6
133.02847	3.0
134.03662	0.6
135.00851	0.4
135.04422	4.8
137.02350	1.2
143.03418	0.8
145.02837	3.5
150.03105	0.4
152.01086	2.6
153.01846	0.5
159.02893	1.4
161.01071	0.7
161.02359	9.4
161.04408	2.8
174.03178	0.5
175.03775	0.6
176.27037	0.4
179.03409	6.3
179.05077	0.5
179.05611	0.6
203.06947	0.6
231.10103	0.4
246.08980	1.5
248.46854	0.3
307.08212	1.9
345.30112	1.4
361.16373	0.6
507.35291	9.0
508.35623	1.0
639.17255	1.2
651.17175	1.2
669.40668	100.0
670.41052	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	669.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	2.7
55.01972	0.5
57.03321	3.4
58.00469	1.3
59.01250	24.8
60.01594	0.6
60.85753	0.5
61.66716	0.5
61.98702	8.1
63.17135	0.5
69.03320	1.2
70.38900	1.7
71.01253	37.1
72.01564	1.0
72.99190	3.1
73.02817	7.8
75.00758	1.2
83.01249	6.1
84.02041	0.5
85.02827	19.9
85.99976	0.8
87.00730	2.7
89.02322	12.6
90.29488	0.5
93.03367	1.0
95.01270	4.4
97.02826	1.4
99.00755	3.7
101.02322	22.7
102.02675	0.8
107.04939	0.5
107.53286	0.5
109.02814	1.5
109.06488	0.6
111.00755	3.9
113.02327	21.4
117.03316	1.5
118.03657	0.5
119.03397	4.4
119.04886	1.3
121.02851	1.6
123.04412	1.8
125.02355	1.1
129.01830	0.6
131.03363	0.6
132.02065	0.7
133.02849	14.8
134.03601	1.8
135.04417	17.2
135.05453	1.1
137.02321	3.1
139.03912	0.5
143.03381	1.7
145.02859	3.1
149.02325	3.4
150.03079	2.5
151.03906	8.3
153.05556	0.6
159.02878	1.5
159.04321	0.6
159.08121	0.5
161.02357	35.6
161.04381	5.6
161.05907	1.0
162.02740	2.4
163.03914	2.1
167.03348	0.6
171.10146	1.1
172.05205	0.8
173.06044	1.1
174.03131	3.2
174.06702	0.6
175.03911	1.8
175.07602	0.6
177.01863	1.5
178.02608	1.5
179.03421	23.4
179.05528	1.7
180.03818	1.2
187.03973	1.5
187.07610	1.9
188.04768	0.6
189.05492	0.8
191.03345	0.8
199.07603	0.6
201.05449	1.3
202.06302	1.9
203.07057	4.9
205.08371	0.6
207.10223	0.9
209.11790	0.8
215.07108	1.3
225.11256	1.0
227.07034	0.7
229.08632	1.6
230.09387	0.9
231.10138	0.9
245.08138	1.5
246.08958	9.6
247.09419	1.1
247.20586	0.6
253.26035	0.5
265.21561	0.5
269.04553	0.8
299.26218	0.6
309.20822	1.2
345.30075	3.3
351.05554	1.5
461.16434	1.0
463.30280	0.7
469.13589	2.4
487.14676	1.0
489.27121	2.2
505.34390	1.0
506.34177	0.8
507.35330	12.4
508.35352	1.3
553.19330	0.7
571.20264	0.8
572.20831	1.6
588.20325	0.9
619.16455	1.0
621.18530	1.9
622.18860	0.9
623.19501	3.0
651.29236	0.8
652.27924	0.7
655.71326	0.6
669.40686	100.0
670.29999	1.2
670.41058	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	671.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.6
57.03331	7.3
59.01254	24.0
59.30125	1.0
63.02269	2.5
65.00190	8.2
67.01763	1.7
67.68319	0.8
68.99689	2.5
69.03345	1.6
70.91003	1.3
70.91341	1.7
71.01252	46.2
72.01602	1.0
72.99180	35.2
73.02817	6.1
75.00752	17.0
81.03341	1.2
83.01252	14.2
85.02827	44.1
86.03166	1.0
87.00755	12.3
89.02316	10.5
93.03339	4.3
95.01270	8.8
97.02881	1.7
99.00755	19.4
101.02330	7.0
103.00248	10.6
105.03356	1.3
107.01266	11.4
109.02815	4.9
111.00768	5.3
113.02332	60.3
114.02678	0.9
115.00247	4.8
117.01804	3.2
117.03345	3.5
119.04965	1.4
121.02876	4.2
122.03201	0.9
123.00795	3.2
123.04401	1.1
124.01467	1.1
125.02342	16.7
126.02686	1.0
129.01807	3.5
131.03383	3.5
133.01295	2.5
133.02879	6.1
135.00821	1.5
135.04393	2.8
136.98676	1.2
137.02351	9.7
139.00266	10.1
140.01083	2.1
141.01808	6.9
143.04919	0.9
145.02850	1.8
147.04485	1.0
148.01588	1.3
149.01234	1.4
149.02354	20.6
151.00281	33.4
151.03906	1.0
152.00842	1.9
153.01851	7.4
157.01337	4.0
159.04352	1.7
161.02344	2.8
163.00259	4.4
163.03894	1.7
165.01831	8.2
166.99762	3.2
169.01340	13.9
171.04343	1.5
175.00267	1.8
175.00838	1.4
175.02425	14.8
175.03915	2.4
176.01160	1.2
177.01820	3.1
178.99800	6.0
179.03366	1.5
181.01344	7.2
182.02002	1.0
183.03012	4.8
183.04324	1.4
185.00842	1.4
185.06004	1.3
187.03957	1.8
189.01848	1.4
191.03392	2.5
193.01358	13.3
193.03462	33.8
193.05211	1.8
194.03745	1.4
197.00789	1.4
199.02335	2.7
205.05035	1.4
209.00859	8.2
211.03951	2.6
213.05386	1.3
215.03487	4.4
219.02855	1.3
227.03552	4.4
229.05009	2.0
231.02916	1.9
233.04637	1.6
235.04550	3.0
239.03394	1.8
245.04552	2.7
255.02968	12.3
256.03754	4.7
257.04538	5.7
258.01801	1.5
259.02386	1.4
259.15631	1.0
268.03802	3.2
269.04483	3.1
273.03970	5.0
278.23294	1.0
283.02527	12.2
284.03232	43.5
285.04016	43.7
286.04419	2.7
289.05658	3.5
301.03522	71.2
302.03897	5.7
317.02975	1.2
318.03400	1.4
319.04529	17.3
333.04568	3.6
343.04413	1.8
351.05676	100.0
352.06052	8.0
353.06247	1.5
369.06555	2.4
533.07874	2.4
539.80695	1.0
548.89307	1.1
555.17450	1.1
621.11383	2.4
636.09546	2.2
637.10339	3.0
671.10724	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	671.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54330	0.6
59.01239	2.3
65.08640	0.7
68.99685	8.0
70.87345	0.7
71.01250	4.5
72.99178	1.2
73.02783	0.9
77.97747	0.6
78.02125	0.6
81.03314	1.2
83.01239	1.3
85.02824	3.6
87.00737	0.8
89.02301	0.8
89.61357	0.6
93.03322	1.3
95.01262	1.8
99.00776	1.3
101.02327	2.2
108.02051	41.0
109.02853	17.4
113.02334	3.3
115.08459	0.7
120.32651	0.6
121.02814	1.3
123.00667	0.6
123.04423	3.7
125.02274	1.2
133.02864	0.9
135.04401	2.6
137.02319	1.7
144.81981	0.6
147.04395	1.2
149.02321	1.3
149.05974	1.1
151.03865	1.8
152.01059	40.0
153.01843	16.7
156.42220	0.7
161.02373	0.8
161.04465	1.5
163.03868	1.5
165.01791	2.1
167.03336	0.7
171.95146	0.7
175.02438	0.9
175.03865	0.7
177.01842	1.1
179.03432	1.9
181.01358	0.7
181.05034	0.7
193.03392	1.1
195.02965	1.3
223.08453	0.6
228.30673	0.6
284.03265	1.6
285.03705	0.6
301.03531	2.2
315.07211	47.5
316.07581	4.1
319.04636	1.1
351.05710	3.5
385.07590	3.1
434.97379	0.7
449.10446	1.2
491.11850	1.2
509.12976	2.2
653.17181	2.4
671.18243	100.0
672.18524	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	671.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54659	2.0
59.01256	10.9
71.01260	12.2
71.51889	2.5
72.99172	2.1
85.02830	7.3
87.00750	1.8
89.02330	5.5
93.03358	2.4
95.01261	2.8
101.02328	3.5
105.74194	2.1
108.02063	2.0
109.02839	5.7
113.02335	12.9
117.35001	1.6
122.78233	2.0
123.04415	11.3
133.02859	18.7
134.03632	2.3
135.04417	76.5
136.01653	2.0
136.04784	3.6
137.02348	100.0
138.02692	3.8
143.03392	2.9
149.02342	2.5
150.03088	9.1
151.03934	22.2
161.02357	63.0
162.02708	2.9
163.46962	1.7
165.05600	1.9
168.10327	1.8
170.27467	2.1
177.05347	1.6
179.03416	23.3
193.01428	3.1
251.05595	1.7
325.11551	2.1
343.12659	3.8
345.15289	3.1
459.15088	6.6
487.15100	3.6
501.16257	3.8
509.13135	3.1
621.18152	32.0
622.18597	4.3
639.19373	11.6
640.19885	2.8
653.21039	5.0
671.21088	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.4
57.03314	2.4
58.00452	0.8
58.20574	0.6
59.01251	20.5
60.01592	1.6
61.98700	5.2
62.85250	0.7
63.01403	0.8
71.01255	25.2
72.01579	2.0
72.99192	2.7
73.02815	6.3
75.00734	1.1
75.08248	0.7
77.03867	0.8
81.58445	0.8
83.01262	3.9
85.02825	14.2
86.03165	0.8
87.00752	2.2
89.02318	7.4
89.03794	1.2
93.03332	0.9
95.01257	4.0
96.95879	0.8
97.02838	1.3
98.20574	1.8
99.00751	3.3
101.02320	14.9
102.02695	1.3
108.02074	2.5
109.02859	1.4
111.00755	2.6
113.02331	16.8
114.02683	1.9
117.03357	6.6
119.03383	2.8
119.04916	1.7
121.02856	1.2
123.04459	1.5
124.65038	0.7
128.22719	0.7
132.02068	22.0
133.02861	19.7
134.03645	61.0
135.04430	26.2
136.04762	4.7
137.02351	4.1
139.03964	0.9
143.03444	1.1
145.02843	3.3
146.02991	0.8
147.04427	0.9
149.05977	6.4
150.03119	1.5
151.03940	1.2
152.00998	1.0
159.02850	0.8
160.01576	100.0
161.02359	42.9
161.04488	3.4
162.02667	8.3
163.03905	1.4
163.11108	0.9
165.05412	0.9
175.03931	82.1
176.04265	4.4
177.01860	1.1
178.02675	2.2
179.03423	35.0
180.03729	6.2
187.03891	0.8
193.04996	62.8
194.05307	3.8
201.05565	1.8
202.06270	1.4
209.11798	1.6
229.08704	1.3
253.04980	0.9
300.60675	1.0
302.88739	0.8
307.08057	1.0
323.08020	1.0
345.30078	1.0
346.30151	1.0
400.10938	0.7
461.07330	1.2
461.16821	1.0
462.08414	0.9
477.23453	3.5
487.14539	1.9
488.14764	1.2
495.23962	2.6
507.35306	1.3
508.35849	3.4
509.35745	2.6
593.28973	0.9
594.19995	1.4
595.19629	1.2
621.68677	1.2
623.19647	2.0
624.20435	1.4
653.30951	0.9
670.41016	33.7
670.72473	1.5
671.29376	98.1
671.41266	33.1
672.29718	19.8
672.41339	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84129	0.5
55.01760	0.8
57.03325	0.7
59.01252	10.4
59.50943	0.5
61.98708	0.5
64.24474	0.5
65.03846	0.7
69.03315	0.7
71.01254	5.4
71.28903	0.9
73.02841	1.1
75.34259	0.5
80.02522	2.3
81.03342	2.9
83.01246	0.7
83.04897	8.2
84.02040	0.7
85.02826	1.9
87.00750	1.2
89.02313	3.0
93.03334	0.9
95.04906	1.8
97.02831	5.5
97.06465	1.0
99.00729	1.6
101.02322	5.2
106.04138	0.6
107.04869	0.7
109.06477	22.3
110.03611	1.5
110.06796	0.8
111.04405	0.7
113.02310	2.1
113.05899	0.5
119.03397	0.7
121.06499	1.5
123.08092	0.5
125.09610	2.2
135.08075	3.7
136.05220	1.0
142.02669	1.3
145.04974	0.6
147.11716	0.5
149.09682	0.6
161.04459	1.8
161.09613	1.3
163.09821	0.8
163.11200	17.8
164.11533	0.5
165.12759	3.1
171.10158	3.3
179.05591	0.6
179.10692	0.6
181.12282	4.6
185.11787	3.0
189.09160	1.6
191.10655	1.3
201.11220	0.8
203.05312	0.5
203.10909	0.6
207.10208	64.5
208.10562	4.0
209.11775	100.0
210.12082	5.2
217.12260	0.8
221.11862	1.0
223.13377	1.0
225.11278	27.5
226.11676	1.6
227.12837	13.8
227.15141	0.7
231.10274	1.4
235.08188	4.2
235.13235	0.7
243.12317	0.5
245.11749	0.6
247.13350	1.4
249.11259	0.9
253.06554	0.4
253.09256	10.4
263.12845	1.2
265.14435	1.3
299.14944	0.9
333.68427	0.5
355.22827	1.1
373.23941	0.9
399.21753	6.7
400.22385	1.0
417.22873	7.2
418.22693	0.7
435.23865	0.9
443.19186	2.8
444.19669	0.7
445.20407	0.7
461.20313	11.6
462.20233	0.8
485.19864	0.8
491.26816	1.2
496.23154	0.6
609.29639	0.6
627.30225	0.9
635.30792	11.6
636.31219	1.8
653.31824	14.9
654.32092	2.6
671.32813	25.8
672.33344	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	671.35
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91281	0.8
55.01752	2.5
56.20381	0.7
56.71424	0.8
57.03314	2.7
58.00456	3.2
59.01251	47.9
61.98695	1.4
69.03282	0.9
71.01254	43.8
72.99181	8.0
73.02814	10.0
77.71660	1.0
80.05847	1.1
83.01257	6.6
85.02344	1.5
85.02827	17.7
85.17764	0.8
85.99946	1.7
87.00742	3.6
88.66328	0.8
89.02314	17.5
93.03334	4.4
95.01260	3.5
99.00742	4.6
100.10748	0.9
101.02328	26.8
109.02843	1.0
111.00739	5.4
113.02332	14.8
119.03425	5.6
119.04897	5.0
123.00799	1.0
123.04382	1.3
129.01810	1.8
133.02827	3.0
134.03616	1.8
135.04410	8.2
137.02304	5.0
139.00273	1.3
141.01923	1.0
143.03381	1.0
150.03088	0.9
151.00307	0.9
152.01086	1.1
153.01747	1.1
159.02896	1.1
161.02362	9.1
161.04424	2.2
163.03902	5.9
167.03398	1.9
177.01846	2.3
178.02292	0.9
178.09001	1.1
179.03465	5.4
181.01274	1.6
181.04973	8.5
187.13351	1.6
192.26480	1.1
193.01398	1.5
243.02888	1.3
271.02557	1.5
283.22830	1.7
284.03214	1.3
285.24380	2.1
299.02182	1.1
299.05402	1.6
300.02701	1.9
315.05106	3.4
321.08530	0.9
375.20248	1.6
447.29352	1.8
491.28638	100.0
492.29001	11.9
611.32178	1.6
621.14532	1.3
639.17883	1.0
671.25189	7.5
671.35059	78.6
672.25232	1.9
672.35248	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.8
57.03341	1.4
58.00460	0.8
59.01252	13.7
61.98698	2.2
68.99699	2.5
69.22067	2.8
69.22493	2.7
71.01250	14.9
72.99184	0.6
73.02811	4.0
80.02552	0.8
81.03350	1.4
83.01273	1.7
83.04907	4.9
85.02827	6.9
87.00760	1.7
89.02323	3.4
90.45316	0.6
95.01271	1.9
95.04897	0.9
97.02818	0.9
99.00774	1.1
100.31361	0.6
101.02320	9.1
103.03915	0.8
107.04942	0.7
108.25536	0.6
108.98888	0.6
109.02872	1.3
113.02325	6.4
119.03422	1.4
125.05847	0.7
133.02832	1.0
134.13826	0.6
135.08049	1.1
145.02925	0.7
159.03018	0.9
159.04427	3.3
161.02309	1.5
161.04466	4.7
163.11180	4.2
165.12769	3.2
171.10161	1.7
172.05215	13.8
172.06688	0.9
173.06010	3.6
174.06754	1.2
175.03957	1.5
179.03441	1.2
181.12294	1.5
183.04416	6.2
183.13841	1.1
184.05092	0.6
185.06004	1.4
186.03180	0.9
186.06865	1.1
187.04054	3.9
187.07571	77.3
188.07915	4.3
189.01855	0.9
189.05467	7.7
191.10695	1.9
197.05943	0.8
199.03986	7.5
199.13338	12.7
199.83795	0.7
200.04749	8.6
201.05511	3.3
201.09105	1.0
202.06230	1.3
204.04199	1.8
207.10190	1.5
209.11771	100.0
210.03137	0.7
210.12125	5.1
211.03932	1.7
211.07611	2.1
213.05669	1.6
213.09183	10.0
214.06166	1.2
214.09518	1.0
215.04968	1.3
215.07069	26.7
216.07497	1.4
225.11232	1.1
227.03433	8.8
227.12840	49.3
228.04202	6.9
228.13136	2.0
229.08647	5.6
229.14369	1.1
231.06587	9.3
231.10161	1.7
232.03760	1.2
232.06801	1.0
235.08237	2.2
239.06992	1.0
245.04552	1.4
245.13823	0.8
247.13405	2.7
253.09250	7.3
257.08176	90.6
258.08499	8.6
265.14542	0.9
269.10321	5.0
401.23239	1.7
415.16098	8.4
416.16077	0.8
419.24387	1.1
445.20850	1.4
463.21802	6.8
464.22946	0.9
576.18481	0.8
629.22357	40.1
630.22699	7.6
637.32330	3.1
655.33240	4.5
673.24780	21.4
673.34167	1.4
674.25281	4.3
677.56323	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93251	0.5
51.17795	0.4
52.78913	0.4
55.01751	1.1
57.03325	1.2
58.00474	0.6
59.01252	12.6
61.98709	1.7
68.99700	1.2
71.01253	10.5
71.31074	0.9
71.31404	0.5
73.02813	4.0
75.00790	0.5
80.02551	0.8
81.03336	1.2
83.01270	2.1
83.04913	2.2
84.02031	0.8
85.02825	6.8
87.00783	1.1
89.02325	2.9
95.01270	1.7
97.02823	0.9
99.00775	1.1
101.02316	9.2
103.03898	0.9
109.02847	0.6
109.06442	0.6
113.02334	5.1
117.03308	0.5
119.03434	0.9
123.04457	0.6
133.02863	1.0
135.04395	0.7
135.08047	0.9
137.02385	0.8
137.09714	0.5
145.02905	0.7
158.03635	0.7
159.03101	0.7
159.04411	4.2
161.02356	2.0
161.04489	3.5
163.11179	2.5
165.12778	1.6
171.04446	0.6
171.10176	1.9
172.05206	14.4
173.05972	3.8
174.03157	0.7
175.03958	1.5
179.03453	1.1
181.12338	1.0
183.04459	4.5
184.05002	0.6
185.05974	1.3
185.09695	0.7
186.03221	1.0
186.06766	1.1
187.04121	4.0
187.07571	87.1
188.07927	5.1
189.01884	1.1
189.05490	8.0
190.05899	1.2
191.10745	0.6
197.05904	0.8
198.06728	0.6
199.03952	7.6
199.13298	6.1
200.04720	8.5
201.05495	2.9
201.09085	1.2
202.06180	1.1
204.04256	2.4
207.10341	0.7
209.11777	49.5
210.12102	3.3
211.03923	1.7
211.07541	1.6
212.08044	0.4
213.05695	2.3
213.09137	10.2
214.06224	1.5
214.09549	0.7
215.07083	24.4
216.07449	2.2
225.11261	0.9
227.03450	12.6
227.12849	24.9
228.04184	7.0
228.13155	1.5
229.08672	5.1
230.08995	0.9
231.06584	9.3
231.10094	1.0
232.03767	0.6
232.07072	0.5
235.08238	1.7
239.07140	1.3
245.04501	1.6
246.05188	0.9
247.13300	1.0
253.09175	3.5
257.08173	100.0
258.08530	8.3
269.10278	5.2
401.23260	0.9
415.16061	6.4
419.24460	0.8
445.21021	0.9
463.21628	1.8
483.16537	1.0
486.70773	0.5
576.18726	0.6
629.22388	44.8
630.22736	8.1
637.31952	2.1
638.32910	0.6
655.33124	1.1
656.33209	0.6
673.24799	17.7
674.25256	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	673.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	10.2
61.98709	6.2
69.03304	0.8
71.01259	11.0
71.52203	1.0
72.99158	1.2
73.02804	1.4
81.03313	1.7
83.01273	1.0
85.02832	7.0
88.54607	0.9
89.02319	4.8
93.03327	2.1
95.01257	3.0
99.00754	1.2
101.02320	6.2
108.02055	55.5
109.02162	1.3
109.02844	24.6
110.03133	1.4
110.15084	0.8
113.02332	6.5
119.03384	2.3
119.04890	1.1
121.02824	1.1
122.05975	3.1
123.00755	0.8
123.04414	5.2
125.02227	0.8
133.02861	3.8
134.03621	2.5
135.04376	3.2
137.02347	1.8
138.01894	1.0
145.02824	1.6
149.02263	0.8
151.03941	1.4
152.01062	54.4
152.07059	2.6
153.01865	17.0
153.05412	3.1
154.02130	1.0
160.01585	2.6
161.02354	4.7
161.04460	1.3
163.03893	2.7
165.01788	1.6
173.05966	0.8
175.03900	2.0
176.04150	1.1
179.03397	5.2
187.07549	1.0
193.04976	2.2
195.13766	2.5
209.11804	8.8
213.14896	1.9
215.07085	3.3
227.12791	2.1
257.08148	3.4
354.40057	0.9
374.50867	0.8
375.20285	7.1
471.12772	1.4
517.43262	0.8
550.21790	1.3
565.24457	2.7
609.23285	1.4
641.25885	3.1
672.41730	0.9
673.27112	100.0
674.27423	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	673.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.6
56.22572	0.9
57.03339	1.2
58.00470	2.9
59.01251	42.7
61.98698	9.8
71.01254	33.8
71.01659	0.9
72.99170	3.9
73.02818	4.6
75.81247	0.8
78.42139	0.9
81.03341	1.0
83.01273	3.2
83.04898	4.3
83.71527	0.8
84.02066	1.3
85.02824	10.3
87.00768	2.2
89.02322	20.2
89.02839	1.6
95.01280	3.1
97.02813	1.4
99.00769	1.7
101.02321	22.0
113.02340	14.0
119.03394	8.6
121.10136	2.6
122.06030	2.5
125.02397	1.2
132.02095	2.4
133.02890	1.8
134.03647	10.1
135.04407	1.5
135.08014	1.4
137.02315	1.2
145.02867	1.6
149.06029	1.3
152.07076	2.8
160.01563	12.4
161.02347	3.3
161.04520	2.1
163.11212	4.1
165.09132	7.6
165.12778	2.3
171.10175	2.4
173.06001	2.2
175.03938	13.8
179.03436	1.9
183.04437	1.8
183.10193	2.1
184.03665	0.9
185.02322	1.1
187.07584	5.9
193.04987	9.7
200.04747	2.7
201.05455	1.0
207.10269	1.3
209.11769	91.7
210.12131	5.7
213.05649	1.5
213.09132	2.3
215.07104	13.4
215.10449	1.0
216.07500	1.1
227.12811	14.2
229.08673	0.9
235.08223	1.6
247.13518	1.7
253.09212	4.3
257.08221	10.1
269.10431	1.5
327.14761	1.1
345.15521	25.8
346.15790	2.6
410.31006	1.1
413.67462	1.1
415.16455	1.3
493.24078	3.5
503.33759	10.7
504.34268	6.8
505.34586	1.1
517.31891	5.8
518.32220	4.1
519.32318	1.4
591.85632	2.8
592.35089	1.6
597.23871	2.4
629.24170	1.5
637.32141	1.4
673.30975	100.0
674.31317	22.0
679.36926	1.2
680.37628	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	673.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.2
59.05816	0.3
71.01250	1.7
73.02814	0.5
80.02544	1.1
81.03333	1.1
83.04899	4.4
83.38712	0.3
84.02050	1.0
85.02809	0.4
89.02316	1.3
91.65110	0.3
93.03340	0.3
95.01269	0.3
95.04905	0.4
101.02320	1.5
109.06453	0.3
113.02334	0.9
125.05981	0.6
125.09628	0.5
135.08086	0.6
147.11700	0.4
161.04420	0.6
163.11195	3.6
165.12767	2.2
171.10176	2.5
181.12270	0.6
191.10667	0.6
209.11768	100.0
210.12106	6.1
219.13857	0.4
227.12843	12.8
228.13203	0.9
235.08241	1.4
247.13240	1.4
253.09248	6.1
254.09497	0.4
325.28156	0.3
419.24429	0.4
445.20651	0.5
580.76605	0.3
611.30682	0.3
637.32227	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.2
58.84512	0.2
59.01255	2.2
64.20673	0.2
71.01250	1.5
71.04891	0.2
73.02808	0.3
80.02556	1.1
81.03325	0.9
83.01296	0.4
83.04899	4.2
84.02017	1.0
85.02826	0.5
87.00762	0.4
89.02320	1.0
89.66354	0.2
95.04896	0.7
97.06480	0.3
101.02319	1.4
109.06486	0.3
113.02321	0.7
123.08003	0.2
125.05934	0.4
125.09629	0.3
135.08035	0.9
145.04971	0.2
161.04442	0.5
163.11203	3.6
164.11517	0.2
165.12778	1.9
171.10181	2.4
172.10492	0.2
179.05579	0.2
181.12263	0.5
185.11626	0.2
191.10725	0.8
209.11777	100.0
210.12112	5.5
221.11797	0.2
227.12842	13.6
228.13196	0.9
235.08170	1.5
236.08656	0.2
247.13356	1.6
253.09267	5.6
254.09683	0.3
265.14459	0.3
361.75146	0.2
401.23373	0.5
419.24509	0.3
445.20810	0.6
448.89029	0.2
463.21887	0.3
611.30304	0.2
629.31165	0.2
637.32300	0.6
655.33319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86797	0.9
51.89392	0.9
52.80774	0.7
57.03337	1.0
59.01251	10.2
61.98706	8.2
71.01255	9.6
72.99187	2.3
73.02822	2.5
78.95792	1.9
82.00433	0.9
83.01243	2.0
83.04896	2.0
85.02818	4.6
87.00741	1.6
89.02322	3.4
95.01256	1.1
96.95897	4.3
97.02809	0.9
99.00742	1.7
99.22073	0.9
101.02310	4.4
107.01271	0.9
108.02090	1.0
109.02785	1.4
109.49792	0.9
113.02335	4.6
116.92732	4.1
117.03348	30.2
118.03651	1.2
119.03383	1.1
119.04902	9.8
121.02840	2.6
123.04430	1.2
127.03879	3.4
133.02837	9.1
135.04414	14.1
136.04745	1.0
137.02345	1.4
139.07573	1.9
143.04877	1.8
143.27707	0.9
145.02853	100.0
146.03156	4.8
149.02394	2.1
151.00284	3.1
152.01053	1.2
152.99530	2.2
161.02310	8.3
161.04433	1.4
163.03902	9.5
165.12732	2.2
175.03934	2.2
177.01758	1.0
179.03386	4.7
179.05614	1.2
183.13828	5.6
199.03920	2.0
203.51518	0.9
209.11823	3.0
217.05058	1.4
227.12842	13.1
228.13217	1.1
228.74071	0.9
229.14384	2.1
253.08945	1.1
271.10818	1.5
285.04050	64.5
286.04388	4.5
300.67075	1.0
389.17920	4.4
406.55362	0.9
429.25006	1.6
443.15509	1.3
447.25983	6.1
485.16110	1.2
547.31079	1.5
631.20227	9.7
632.20667	2.2
639.25653	1.7
675.29596	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	675.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68290	1.6
55.01755	7.7
57.03309	3.3
59.01255	40.8
61.98708	13.2
71.01253	29.3
72.01587	1.9
72.99175	4.2
73.02821	8.0
75.18806	1.5
78.42493	1.9
80.04943	6.9
81.03334	2.8
83.01271	5.5
83.04906	8.7
84.32748	1.7
85.02821	12.4
87.00749	2.6
89.02327	12.9
93.03321	2.3
94.02875	3.4
94.06511	4.5
95.01261	3.0
96.95924	1.9
98.02367	6.7
98.20601	3.2
99.00759	8.6
101.02310	25.9
106.06560	4.6
107.03667	7.5
108.04467	3.9
110.02353	13.2
110.28797	1.7
111.00751	3.6
111.04404	15.4
113.02328	14.3
117.03419	2.3
119.03381	5.8
119.04939	2.6
120.05697	2.1
120.08080	13.7
122.06006	42.3
123.06358	1.8
124.03924	2.5
125.02380	2.3
125.05971	2.1
127.03912	6.6
132.04448	4.4
133.02863	7.9
134.03621	2.9
134.06033	7.9
135.04405	6.9
135.08034	9.7
136.03940	7.4
137.02400	3.0
138.05478	4.2
143.03391	3.1
145.02879	3.5
147.05534	4.0
148.03946	3.7
150.05515	17.3
152.03470	11.1
152.07076	67.1
153.07445	3.7
153.09097	4.6
154.05040	5.3
160.03880	4.0
161.02385	13.6
161.04565	5.9
162.05475	3.3
163.11192	2.5
165.05475	2.7
171.10243	2.6
174.01746	2.0
174.05539	7.7
175.05109	3.4
179.03421	8.3
190.04988	5.7
193.04907	2.2
201.10220	10.0
209.11772	44.1
210.12117	27.9
211.08748	3.4
211.12158	9.8
213.10284	7.6
215.07065	2.6
224.09393	2.7
227.12065	8.1
228.13170	3.0
229.09775	15.7
229.13445	6.2
237.06468	2.0
237.10344	3.1
239.11861	5.9
241.09810	5.8
245.12712	4.4
250.07228	2.0
253.09456	4.9
254.09944	1.9
255.11356	15.7
257.08694	1.9
257.12976	7.2
265.09760	4.3
266.10358	2.4
267.11377	3.8
271.11069	2.2
273.12573	5.7
279.11401	3.3
281.09280	2.6
281.12936	6.7
283.10928	10.9
293.09039	3.4
295.10928	3.8
297.12335	3.0
301.11905	31.5
302.12024	2.0
309.12473	3.2
313.12042	4.0
313.97589	1.8
319.13019	26.6
320.13367	2.3
323.10403	5.4
325.11920	14.9
326.12476	4.0
327.13571	1.9
344.13843	2.5
345.15091	4.0
346.15903	2.2
346.92773	2.0
347.17120	6.4
355.13046	11.2
356.13739	4.1
358.11856	4.2
358.15689	3.3
360.13364	2.5
363.20313	2.3
372.13483	2.3
372.17514	2.3
373.14087	3.3
374.15128	15.6
386.11169	3.4
387.12201	2.3
388.16684	16.5
389.16916	2.7
392.15842	4.2
400.12946	8.5
401.13367	2.1
415.15424	3.1
416.16174	27.9
417.16479	4.1
434.17340	4.1
471.31119	2.5
495.24677	8.7
503.97165	2.4
516.72992	2.0
539.22949	5.6
553.24835	2.0
555.25848	2.9
557.24213	15.3
558.24695	3.7
581.24133	21.9
582.24377	4.9
599.25110	47.4
600.25146	10.6
601.22986	3.2
602.23975	4.2
613.25195	2.7
625.22888	13.1
626.23157	2.1
631.27380	3.1
631.37659	2.1
639.26343	5.3
643.24042	89.9
644.24359	18.6
657.25629	3.8
675.26697	100.0
676.27423	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78337	0.2
55.01757	1.5
57.03329	1.4
58.00472	2.6
59.01254	50.3
59.57477	0.1
60.01599	0.3
61.98711	0.3
62.86897	0.1
65.80586	0.1
67.01752	0.4
68.99698	0.5
69.03329	2.9
71.01255	44.1
72.01597	0.6
72.99181	3.0
73.02821	7.3
75.00736	1.0
78.95771	1.1
80.24397	0.1
81.03338	1.9
83.01257	4.8
83.04894	0.6
84.02032	0.2
85.02823	9.4
85.99976	0.5
86.03193	0.2
87.00755	11.1
87.04397	0.4
89.02319	35.5
90.02666	0.5
91.03862	0.8
93.03334	0.5
95.01263	3.4
95.04934	0.3
97.02831	7.7
98.03146	0.2
99.00763	2.7
99.04401	0.6
101.02325	35.8
102.02673	0.8
103.00241	0.4
103.03902	0.4
109.02837	0.8
111.00752	0.8
111.04404	1.5
111.47094	0.2
112.01561	0.3
113.02335	17.5
114.02676	0.5
114.49820	0.1
115.03912	0.9
119.03393	11.2
120.03723	0.2
121.02866	0.7
123.00761	0.4
123.04411	0.4
124.01591	0.6
125.02341	14.9
126.02664	0.4
127.03919	0.7
127.07523	0.3
129.01833	0.3
131.03404	1.7
131.10736	0.2
133.04974	1.1
135.04422	0.2
137.02344	0.3
139.03923	1.2
141.01845	0.6
142.02574	0.2
143.03401	6.5
144.03720	0.2
149.02377	0.2
149.04477	1.1
151.03899	0.2
152.99503	0.6
155.03413	0.2
157.05014	0.3
159.02911	0.2
161.04468	8.0
167.03424	1.0
169.04980	0.7
171.02885	0.4
175.06131	0.2
179.05533	6.9
180.05878	0.2
181.05003	0.3
185.04495	0.8
199.06064	0.4
203.05566	0.6
217.07153	1.5
219.05022	0.6
221.06599	3.0
222.06967	0.3
229.20308	0.2
233.22652	0.5
235.08200	16.7
236.08562	0.8
245.06619	1.0
253.09265	4.0
254.09599	0.2
259.20703	0.6
263.07709	2.0
269.06711	0.2
275.20132	0.4
277.09619	1.4
277.21719	100.0
278.22070	9.9
287.07739	3.2
288.08084	0.3
291.23303	0.3
295.22668	0.3
305.08783	4.3
306.09140	0.3
316.11649	0.2
323.09842	2.0
324.10339	0.2
361.11346	0.6
379.12469	1.2
397.13492	81.0
398.13840	6.9
415.14566	36.9
416.14871	3.2
431.22095	0.3
675.35443	0.5
676.35425	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31499	0.1
55.01764	1.5
57.03318	1.7
58.00199	0.3
58.00467	2.5
59.01252	46.0
60.01587	0.5
61.98702	1.0
67.01762	0.3
68.99695	0.5
69.03326	2.9
69.26067	1.5
71.01255	49.4
71.04884	0.2
72.01596	0.6
72.99187	4.5
73.02821	8.2
74.75272	0.2
75.00755	0.9
78.95776	3.2
81.03334	2.1
83.01260	5.9
83.04892	0.7
84.01589	0.2
84.02044	0.4
85.02824	10.3
85.99975	0.4
86.03152	0.3
87.00754	11.7
87.04400	0.4
88.01066	0.3
89.02319	35.3
90.02663	0.6
90.57639	0.2
91.03870	0.6
93.03345	0.6
95.01263	3.4
95.04901	0.2
97.02829	8.4
98.03170	0.2
99.00762	2.8
99.04423	0.8
101.02325	38.5
101.95223	0.2
102.02663	0.7
103.00294	0.4
103.03899	0.5
108.02129	0.2
109.02852	0.8
111.00777	0.9
111.04405	1.4
112.01530	0.4
113.02335	17.6
113.05905	0.2
114.02666	0.4
115.03867	1.0
119.03390	11.5
120.03748	0.2
121.02837	0.7
123.00768	0.6
123.04423	0.3
124.01550	0.6
125.02341	14.6
126.02653	0.2
127.03899	0.7
127.07568	0.3
129.01822	0.3
131.03400	2.2
133.04965	1.4
137.02353	0.4
139.00270	0.2
139.03929	1.3
141.01872	0.9
141.05478	0.2
142.02686	0.3
143.03404	7.7
145.02782	0.2
145.04948	0.2
149.02341	0.3
149.04431	1.2
149.08783	0.2
149.64375	0.2
152.99498	1.5
161.04471	8.9
162.04851	0.2
167.03389	0.9
169.04991	0.3
171.02917	0.4
179.05534	7.9
180.05798	0.3
181.04915	0.3
185.04477	0.7
193.26151	0.2
199.06038	0.6
203.05534	0.5
205.03308	0.2
209.04637	0.2
209.11690	0.2
217.07085	1.2
219.05014	0.6
221.06630	2.9
227.05653	0.3
233.22734	0.4
235.08199	15.6
236.08516	0.7
245.06635	0.9
253.09279	4.8
254.09570	0.2
259.20560	0.3
263.07739	1.9
275.20053	0.5
277.09598	1.0
277.21719	100.0
278.22058	10.3
287.07718	3.6
288.08051	0.3
291.23486	0.3
293.21332	0.3
305.08795	3.6
306.09006	0.2
323.09818	2.2
361.11288	0.8
379.12463	1.3
397.13498	78.9
398.13837	6.9
398.17691	0.1
415.14569	33.8
416.14871	3.1
420.67764	0.2
469.33353	0.2
593.27338	0.3
657.33667	0.2
675.35028	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.0
59.01252	6.7
61.98708	2.9
71.01257	5.8
71.30778	0.4
71.51173	0.6
72.99133	0.4
73.02811	1.3
78.95787	0.7
80.02508	1.4
80.04916	0.6
81.03320	1.0
83.01244	1.2
83.04887	5.7
84.02036	0.5
85.02838	2.5
87.00727	1.2
89.02316	3.9
94.02796	0.5
95.01279	0.6
95.04899	0.8
96.95859	1.2
98.02377	0.6
98.84819	0.5
101.02325	5.4
106.06513	0.6
110.02335	1.1
111.04385	1.3
112.11684	0.4
113.02325	3.3
119.03379	0.9
120.08072	0.9
122.05994	4.6
125.02301	0.7
125.09608	1.4
127.03885	1.7
127.11192	2.2
132.02060	0.7
132.04437	0.4
133.02864	0.7
134.05997	0.8
135.04358	0.9
135.08003	0.6
136.03918	0.5
136.07576	0.5
137.02361	1.1
139.07504	0.6
143.03342	0.7
145.02904	0.5
148.03975	0.5
150.05470	1.3
152.03397	1.3
152.07071	5.6
154.05011	0.6
155.14317	0.6
161.02361	1.8
161.04520	2.5
163.03836	0.6
163.11182	3.6
165.12790	2.7
165.13921	0.5
167.14305	1.5
171.10194	2.7
174.05476	0.7
179.03374	0.9
179.05504	1.1
181.12323	0.9
183.13821	1.2
187.07576	1.0
190.04980	0.5
191.10614	0.9
193.12253	0.5
199.13423	0.8
201.10262	1.1
209.11766	100.0
210.12106	8.0
211.13396	7.2
212.13647	0.7
215.06960	0.7
218.00346	0.4
227.12878	12.6
228.13150	1.8
229.09914	2.4
229.14406	94.0
230.14755	6.9
235.08237	3.0
253.09256	19.0
254.09660	1.4
255.11371	1.9
257.08170	0.9
257.12927	0.6
258.08585	0.8
259.08575	0.5
265.09839	0.7
279.11502	0.5
281.12845	0.7
294.09610	0.4
295.10712	0.6
301.11853	2.7
313.11792	0.6
319.13046	1.8
325.11978	1.6
355.13046	1.0
374.14941	1.2
388.16736	1.7
400.12964	0.9
416.16031	3.2
417.16681	0.6
421.25906	4.4
422.26569	0.6
439.26956	0.8
445.20667	0.5
465.23392	0.7
466.78137	0.5
490.20560	0.5
557.24103	1.5
581.24176	1.7
599.25275	3.0
600.25055	0.5
625.23248	0.9
631.38428	0.6
643.24152	6.2
644.24976	1.8
675.25854	9.7
676.26508	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	675.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.0
59.01252	6.7
61.98708	2.9
71.01257	5.8
71.30778	0.4
71.51173	0.6
72.99133	0.4
73.02811	1.3
78.95787	0.7
80.02508	1.4
80.04916	0.6
81.03320	1.0
83.01244	1.2
83.04887	5.7
84.02036	0.5
85.02838	2.5
87.00727	1.2
89.02316	3.9
94.02796	0.5
95.01279	0.6
95.04899	0.8
96.95859	1.2
98.02377	0.6
98.84819	0.5
101.02325	5.4
106.06513	0.6
110.02335	1.1
111.04385	1.3
112.11684	0.4
113.02325	3.3
119.03379	0.9
120.08072	0.9
122.05994	4.6
125.02301	0.7
125.09608	1.4
127.03885	1.7
127.11192	2.2
132.02060	0.7
132.04437	0.4
133.02864	0.7
134.05997	0.8
135.04358	0.9
135.08003	0.6
136.03918	0.5
136.07576	0.5
137.02361	1.1
139.07504	0.6
143.03342	0.7
145.02904	0.5
148.03975	0.5
150.05470	1.3
152.03397	1.3
152.07071	5.6
154.05011	0.6
155.14317	0.6
161.02361	1.8
161.04520	2.5
163.03836	0.6
163.11182	3.6
165.12790	2.7
165.13921	0.5
167.14305	1.5
171.10194	2.7
174.05476	0.7
179.03374	0.9
179.05504	1.1
181.12323	0.9
183.13821	1.2
187.07576	1.0
190.04980	0.5
191.10614	0.9
193.12253	0.5
199.13423	0.8
201.10262	1.1
209.11766	100.0
210.12106	8.0
211.13396	7.2
212.13647	0.7
215.06960	0.7
218.00346	0.4
227.12878	12.6
228.13150	1.8
229.09914	2.4
229.14406	94.0
230.14755	6.9
235.08237	3.0
253.09256	19.0
254.09660	1.4
255.11371	1.9
257.08170	0.9
257.12927	0.6
258.08585	0.8
259.08575	0.5
265.09839	0.7
279.11502	0.5
281.12845	0.7
294.09610	0.4
295.10712	0.6
301.11853	2.7
313.11792	0.6
319.13046	1.8
325.11978	1.6
355.13046	1.0
374.14941	1.2
388.16736	1.7
400.12964	0.9
416.16031	3.2
417.16681	0.6
421.25906	4.4
422.26569	0.6
439.26956	0.8
445.20667	0.5
465.23392	0.7
466.78137	0.5
490.20560	0.5
557.24103	1.5
581.24176	1.7
599.25275	3.0
600.25055	0.5
625.23248	0.9
631.38428	0.6
643.24152	6.2
644.24976	1.8
675.25854	9.7
676.26508	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	677.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31544	1.2
57.03324	2.5
59.01241	14.9
61.98692	9.5
64.09071	1.2
71.01250	16.5
71.52424	1.9
72.99168	4.1
73.02805	5.4
74.98969	8.7
75.00725	3.1
80.58105	1.2
81.03338	9.1
83.01255	16.5
83.04893	21.2
85.02829	7.9
87.00765	7.7
87.01228	1.5
89.02296	6.1
93.03319	3.7
95.01250	2.7
96.95862	5.1
99.00761	10.6
100.01537	2.5
101.02315	12.7
107.04832	2.3
108.02034	1.8
109.02819	7.9
111.00764	15.2
113.02349	8.7
113.65687	1.4
113.99438	2.1
115.00261	10.0
117.03362	6.9
119.03396	2.4
119.04898	6.2
121.02831	5.9
122.03563	1.5
123.00664	1.4
123.04400	4.7
125.02248	2.3
127.00230	5.9
128.00993	1.8
133.02829	6.0
134.03642	2.3
135.04402	11.2
136.01532	1.5
137.02304	4.3
139.00267	10.8
139.03925	2.0
143.03404	2.5
145.02849	28.7
146.03252	1.7
147.04385	5.7
149.02341	5.6
149.05969	21.6
150.03160	9.0
156.00549	17.5
157.01303	22.9
159.04454	1.4
160.01537	1.7
161.02361	15.4
161.05959	4.1
162.03128	22.9
163.03943	10.8
165.05502	3.3
166.99727	1.6
171.04485	1.8
173.02367	2.0
173.05989	1.7
174.01556	5.4
174.03101	3.8
175.02353	12.6
175.03897	11.6
176.04578	1.6
177.01797	5.9
177.05493	27.8
179.03336	9.0
180.04030	2.4
187.03888	2.5
188.01044	2.4
189.01817	3.4
189.05476	4.6
190.02602	4.8
191.03378	6.6
191.07072	1.7
193.04970	16.4
205.04913	3.1
207.06551	10.7
217.05013	3.9
219.02914	4.9
223.06018	5.1
224.17630	3.8
225.16052	14.3
233.04451	6.9
234.05319	2.0
235.05988	3.8
237.03999	13.9
247.06100	1.7
251.05605	18.6
251.94395	1.5
253.07156	2.8
263.05579	2.9
275.05701	1.9
289.05502	2.6
291.05136	5.2
295.08258	2.7
307.08228	21.2
308.08554	1.5
339.07162	19.0
340.07388	1.7
351.06079	1.6
378.42249	1.3
387.10779	6.1
399.09143	2.7
413.10535	2.1
451.32867	5.1
467.11807	10.6
545.13245	7.7
559.14404	6.6
577.15808	1.5
577.28345	2.7
603.10559	1.6
617.14960	5.5
618.15509	2.2
621.17920	1.6
659.48193	2.2
676.48083	2.3
677.16443	7.1
677.35577	10.8
677.49579	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61192	1.5
55.01757	6.4
57.03308	2.6
59.01251	11.9
61.98696	6.2
71.01255	12.8
71.51469	2.4
72.99166	2.1
73.02821	7.4
78.95769	3.3
83.01257	100.0
85.02808	3.9
86.04151	1.3
87.00744	4.3
89.02299	6.1
93.03355	1.8
95.01280	1.8
96.95895	10.1
96.96847	4.0
97.02847	2.1
98.02336	2.4
99.00761	19.5
101.02319	44.9
102.02650	1.6
108.02016	1.9
109.02811	2.8
111.00710	1.9
113.02332	7.8
117.03363	1.6
119.03393	2.5
119.04882	2.2
121.02856	6.4
121.06456	1.6
122.03625	3.1
123.00775	3.7
123.04397	2.3
124.01583	1.6
125.02348	3.4
127.00260	63.0
128.00536	1.9
133.02824	2.5
134.03630	1.4
135.04407	4.1
136.00517	3.0
136.01559	58.1
137.02376	9.8
137.11121	1.4
139.03821	2.1
139.33217	1.7
141.01837	11.0
142.02107	1.5
145.01366	2.9
145.02829	6.9
147.04362	2.3
149.02344	1.9
151.00288	29.3
151.03912	71.3
152.04268	2.3
153.01842	2.2
156.00592	2.1
159.04411	1.9
160.05214	2.4
161.02330	6.1
161.04434	1.9
162.03114	2.4
163.03883	2.2
166.02632	74.3
167.03043	4.7
169.01265	1.9
173.02280	1.7
173.18045	1.4
174.88890	2.5
175.03915	1.9
175.07423	2.1
176.04735	1.7
177.01778	3.2
177.05479	3.3
179.03384	4.2
181.04980	83.3
182.05305	3.0
189.05461	1.7
191.03452	1.9
192.04132	1.6
203.03261	1.4
205.08588	1.3
207.06473	2.8
284.51129	1.3
289.05676	7.8
299.05417	1.4
309.07745	1.5
357.09705	15.4
357.13480	7.3
358.10278	2.9
372.12219	14.0
373.12924	10.0
387.14487	83.0
388.14935	7.7
480.39404	1.5
493.65161	1.6
513.72473	1.8
547.94965	1.7
645.19092	1.8
677.20734	94.3
678.21106	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	677.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.3
58.00471	0.4
59.01252	6.9
61.98691	1.8
69.03342	0.4
70.13293	0.8
71.01253	5.3
72.31837	0.2
72.69538	0.3
72.99213	0.5
73.02811	1.4
74.37206	0.3
75.00758	0.3
77.31445	0.3
78.95789	0.6
83.01269	0.6
83.04875	0.4
85.02807	2.5
87.00771	0.5
89.02326	2.6
93.03355	0.3
95.01276	0.7
96.95885	0.3
99.04401	0.4
101.02316	2.8
103.03848	0.4
113.02332	3.4
116.92757	0.4
117.03348	27.4
118.03696	1.2
119.03502	0.6
119.04908	8.4
125.02341	0.8
127.03891	1.0
133.02843	0.7
135.04428	0.9
137.05974	1.2
138.02797	0.3
139.07559	0.4
145.02853	100.0
146.03201	4.7
149.05942	0.4
151.03918	0.4
152.99504	0.6
161.02385	1.4
161.04443	0.5
163.03922	5.8
163.05243	0.5
164.04317	0.3
179.03436	1.1
187.11226	0.4
265.09369	0.4
287.22372	0.6
427.23331	0.3
445.17252	0.5
449.27774	0.3
455.31555	0.8
487.18173	1.2
557.22540	0.3
617.31836	0.4
633.21863	20.8
634.22198	4.3
641.37280	0.7
677.36346	1.7
678.32990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.3
58.26095	0.3
59.01251	7.3
59.67923	0.3
59.82032	0.3
61.42396	0.3
61.98714	2.0
66.10748	0.3
69.32507	2.4
71.01252	4.9
73.02809	1.2
75.00737	0.4
75.90467	0.3
78.57118	0.3
78.94473	0.3
83.01283	0.4
85.02826	2.4
86.86624	0.3
89.02325	2.7
92.46666	0.3
95.01261	0.7
97.02806	0.4
99.00757	0.6
101.02314	2.3
113.02331	4.0
117.03355	27.3
118.03702	1.0
119.03468	0.7
119.04923	8.6
121.02810	0.3
125.02334	0.5
127.03930	0.4
133.02864	1.3
135.04411	1.2
137.05977	1.4
143.03419	0.3
143.04898	0.5
145.02864	100.0
146.03224	5.1
152.99463	0.4
155.03326	0.4
158.05789	0.3
161.02394	1.9
161.04536	0.3
161.05988	0.4
163.03932	6.1
177.01907	0.4
179.03458	1.8
179.05318	0.3
187.11197	0.3
189.12880	0.3
203.05635	0.3
223.06075	0.4
263.28268	0.3
283.44452	0.3
326.37534	0.3
355.16068	0.3
445.17130	0.9
446.17178	0.4
487.18274	1.3
497.23724	1.2
633.21838	18.5
634.22198	4.4
677.31616	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	2.3
57.03317	2.7
58.01248	0.5
59.01251	17.7
60.70786	0.7
61.98702	1.5
71.01253	16.0
72.99172	2.3
73.02821	7.0
74.33047	0.5
75.00723	1.1
83.01254	31.0
85.01210	0.7
85.02826	4.4
87.00755	1.6
89.02311	8.1
89.88872	0.6
90.92625	0.6
93.03329	0.6
95.01261	1.3
99.00741	5.9
101.02323	47.1
102.02658	1.0
113.02322	5.6
119.03385	3.6
125.02298	0.9
127.00269	10.9
132.33362	0.7
133.02771	0.8
135.04388	1.1
137.02290	1.1
151.00182	0.7
156.23297	0.6
161.04419	1.2
189.12721	0.9
193.03487	0.9
214.97145	0.6
269.04535	2.5
270.04968	1.9
285.03967	1.0
308.05743	1.2
326.06659	2.4
351.05682	3.4
489.79251	0.8
549.25732	1.6
677.26587	100.0
678.26953	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	677.3541
Annotation	Erythroxanthin sulfate
Peak:m/z	Relative Intensity
55.01748	1.1
57.03320	0.7
58.00463	0.7
59.01249	12.0
60.99167	1.1
61.98711	0.6
68.99680	0.4
69.03339	0.4
69.19912	3.6
71.01254	5.1
71.04886	3.1
72.99136	0.5
73.02830	0.7
75.00731	0.6
76.47595	0.4
82.79170	0.4
83.01274	0.4
83.04893	18.2
84.05230	0.4
84.66174	0.4
85.02835	1.8
87.00743	0.5
89.02338	2.6
95.01260	0.4
97.06430	0.5
101.02325	2.8
113.02322	2.2
115.31793	0.4
117.03346	0.6
119.03420	1.2
119.04968	0.6
127.03930	0.5
133.02852	1.0
135.04396	1.1
145.02827	2.1
161.02327	1.8
163.03886	0.4
179.03427	0.9
199.72020	0.4
375.26935	0.6
381.27988	0.5
387.25357	4.1
389.28311	0.6
391.29971	0.6
409.31238	0.9
417.28076	0.8
435.29041	4.1
436.29028	0.9
443.28036	1.2
453.30157	2.3
471.30948	2.6
472.31497	0.6
484.23230	0.4
497.28909	3.0
498.29398	0.5
515.30096	18.3
516.30261	3.0
524.13324	0.5
557.31213	4.0
558.31415	0.9
563.42426	0.5
612.19141	0.4
677.35370	100.0
678.35681	23.9
700.32123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3549
Annotation	Hovetrichoside H
Peak:m/z	Relative Intensity
52.33139	0.7
52.74946	0.8
58.00463	1.1
59.01253	14.4
60.99160	0.8
61.98696	4.3
62.27113	0.7
63.15381	0.7
64.64610	0.8
69.43992	5.3
71.01257	5.9
71.04897	10.2
72.99190	1.3
73.02805	3.8
75.00739	1.0
80.24059	0.7
83.01239	1.2
83.04885	1.1
85.02821	2.7
85.06489	1.8
85.99987	1.0
87.00708	1.1
89.02328	3.9
98.19868	1.6
99.00764	1.4
101.02334	3.9
108.86745	0.8
113.02318	3.3
119.03390	1.3
122.06033	0.7
133.02879	3.7
134.03629	1.6
134.11888	0.7
135.04428	4.3
137.02362	1.0
145.02852	1.3
146.94714	0.9
157.10094	0.8
160.01588	1.2
161.02386	7.6
161.04453	1.3
171.10208	1.3
179.03429	5.3
209.11780	2.4
210.01901	0.7
227.12975	0.9
229.14320	1.1
230.14642	0.7
241.05029	1.2
271.09888	2.4
305.22665	1.5
375.26935	2.3
384.81433	0.8
391.29736	1.4
393.27805	1.2
409.31067	2.5
419.25888	1.6
435.29089	6.0
453.30063	6.6
454.30511	1.5
470.30371	2.7
471.31177	43.8
472.31708	6.2
497.28424	1.3
515.30127	13.7
516.30676	2.2
557.31238	17.6
558.31409	3.7
587.32043	1.4
617.32770	3.0
618.34430	0.9
677.35480	100.0
678.23975	0.8
678.35669	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3549
Annotation	Erythroxanthin sulfate
Peak:m/z	Relative Intensity
52.60528	0.4
56.04404	0.4
59.01251	7.5
60.99175	2.2
61.98703	7.7
65.40924	0.3
71.01249	4.4
72.99166	0.8
73.02816	0.7
75.00728	0.6
78.95753	0.7
81.49613	0.4
83.01213	0.5
83.04890	0.5
85.02814	1.6
86.08304	0.4
87.00803	0.5
89.02291	2.3
95.01244	0.5
99.00748	0.6
101.02325	2.1
113.02325	2.1
119.03430	0.8
119.04911	0.4
119.08511	0.7
121.02798	0.6
125.02393	0.5
131.03427	0.4
133.02846	0.9
134.03525	0.6
135.04382	1.3
136.26648	0.5
136.29803	0.4
137.02348	0.6
145.02872	0.9
147.04437	0.5
161.02328	2.1
161.04460	0.6
163.03970	0.5
169.12225	0.9
171.10197	0.8
175.03929	0.7
179.03378	1.3
179.05521	0.4
184.05214	0.8
193.05135	0.7
199.07578	1.0
199.09592	0.5
209.11765	1.5
209.42209	0.5
210.12209	0.5
229.14426	0.8
253.09297	0.5
254.02812	0.5
281.62668	0.4
295.08234	0.6
300.55722	0.5
405.28061	0.8
407.29745	2.4
415.65237	0.5
425.30875	0.9
435.28958	3.6
436.29596	0.7
452.29202	1.7
453.23764	0.7
453.30084	13.7
454.30582	1.9
471.31348	4.0
472.31180	0.7
497.28854	0.9
515.22394	0.8
515.30090	16.5
516.30115	2.5
542.75586	0.5
557.31055	2.8
558.31372	0.7
617.32495	1.0
659.32690	0.6
677.35370	100.0
678.35718	20.9
695.35760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3556
Annotation	Hovetrichoside H
Peak:m/z	Relative Intensity
57.03333	0.8
58.02833	2.2
59.01251	10.8
60.99176	1.9
61.98702	10.6
71.01260	7.0
71.04894	2.2
71.51827	1.1
72.99189	1.1
73.02829	1.5
74.02334	3.2
74.55519	0.6
75.00750	1.0
75.40369	0.7
77.84100	0.7
83.01274	0.8
83.04872	1.0
85.02822	2.0
87.00761	1.4
88.98633	1.0
89.02343	3.7
99.05531	1.8
101.02332	4.3
103.44176	0.7
113.02322	5.3
119.03452	1.0
133.02838	2.9
135.04407	3.4
137.02351	1.2
143.04529	6.4
145.02881	1.7
151.00270	0.8
151.11220	1.2
161.02393	5.8
161.04506	0.9
163.11346	0.7
169.12236	8.9
171.10165	1.5
177.03322	20.7
177.04863	1.3
179.03439	5.2
184.05243	2.0
199.07587	2.1
201.11293	1.4
209.11754	4.1
213.11147	1.2
277.59711	0.9
375.26868	1.4
389.28503	1.3
391.30020	5.6
393.27994	2.9
407.29639	1.3
409.31018	3.5
419.25763	0.9
425.35709	0.8
435.29037	21.7
436.29138	3.7
441.30417	0.9
449.30792	1.6
453.30093	30.6
454.30560	5.2
471.31161	7.9
472.31589	1.2
497.29156	1.6
515.30164	48.6
516.30688	8.1
557.31244	5.6
558.31726	1.1
633.31262	3.4
659.32935	5.6
677.35400	100.0
678.35706	23.0
695.36212	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	677.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.8
57.03320	1.5
58.00463	1.6
59.01253	32.5
61.98690	1.1
68.99694	0.6
69.03337	2.3
69.23178	0.3
69.88403	1.4
71.01256	32.1
72.01602	0.5
72.99181	3.1
73.02826	5.8
75.00757	0.5
80.96375	0.6
81.03329	1.6
83.01263	3.8
83.94029	0.3
85.02824	7.1
87.00746	8.1
89.02318	29.4
90.02644	0.6
91.03880	0.6
92.44750	0.3
95.01270	2.6
97.02833	6.0
99.00754	2.3
101.02324	27.8
109.02842	0.5
111.00774	0.6
111.04410	0.9
113.02333	13.5
114.02609	0.4
115.03876	0.7
115.91973	0.4
119.03396	9.4
119.04889	0.6
121.02824	0.7
123.00793	0.5
125.01443	0.7
125.02341	12.2
126.02650	0.4
127.03883	0.6
129.38382	0.4
131.03403	1.7
133.04971	1.0
139.03915	0.9
139.52045	0.3
141.01886	0.9
143.03416	5.0
145.02843	1.4
149.04457	0.9
152.99469	0.6
161.04460	6.6
167.03432	0.7
169.05045	0.7
179.05525	7.0
179.07005	0.6
185.04541	0.6
199.06100	0.6
207.02660	0.3
217.07198	0.5
221.06673	2.4
225.21051	0.3
235.08205	13.1
236.08487	0.5
245.06674	1.2
253.09297	3.5
263.07700	1.5
277.09262	0.9
279.23288	100.0
280.23624	8.8
287.07675	2.9
305.08749	3.6
323.09875	2.0
361.11508	0.5
379.12415	1.3
397.13495	79.5
398.13940	6.0
415.14581	30.6
416.14938	2.7
677.37164	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	677.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70011	0.2
55.01756	1.3
57.03331	1.0
58.00464	1.7
58.09436	0.2
59.01252	36.2
60.01588	0.5
61.98717	0.4
63.05717	0.2
68.81449	0.2
68.99689	0.4
69.03328	2.0
71.01254	35.3
72.01588	0.3
72.99187	2.9
73.02819	6.1
73.47026	0.2
75.00733	1.1
76.76276	0.2
78.95782	0.2
81.03339	1.4
83.00800	0.4
83.01252	3.8
83.04887	0.5
85.02824	7.3
86.00002	0.3
87.00227	0.5
87.00755	9.3
89.02317	30.6
90.02677	0.2
91.03904	0.6
93.03326	0.4
95.01261	2.5
97.02829	5.7
99.00740	2.2
99.04403	0.5
101.02325	27.5
102.02654	0.5
103.00247	0.3
109.02843	0.8
111.00747	0.5
111.04404	0.8
112.01591	0.3
113.02333	14.0
114.02666	0.3
115.03888	0.8
116.12602	0.2
119.03390	9.0
121.02837	0.7
123.00749	0.3
124.01559	0.4
125.02339	11.7
126.02649	0.4
127.03882	0.5
129.01801	0.3
131.03400	1.4
133.04991	1.0
139.03918	1.0
141.01837	0.8
142.02591	0.2
143.03403	5.3
149.04431	0.9
151.03880	0.3
157.04970	0.3
161.04468	6.6
167.03430	0.7
169.04977	0.3
179.03258	0.3
179.03740	0.3
179.05536	6.1
181.04950	0.3
185.04507	0.6
199.06046	0.5
200.20195	0.2
203.05461	0.4
217.07115	1.2
219.05072	0.3
221.06653	2.0
229.82556	0.3
235.08197	13.0
236.08528	0.4
245.06630	0.7
253.09288	3.1
261.22186	0.6
263.07690	1.4
271.40350	0.2
277.09341	1.0
279.23285	100.0
280.23636	8.4
280.26773	0.4
287.07724	3.2
293.24780	0.4
305.08771	3.7
323.09885	1.5
361.11401	0.4
379.12653	1.0
396.19952	0.2
397.13489	69.9
398.13770	5.3
415.14560	32.0
416.14905	2.3
556.85657	0.2
596.02875	0.2
677.38239	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21655	0.8
53.35457	0.6
57.03312	2.4
59.00990	0.8
59.01252	9.3
65.00204	1.4
65.99743	0.8
69.03323	1.4
71.01251	22.2
72.89381	0.6
72.99174	14.3
73.02825	3.4
75.00745	9.3
75.10160	0.6
80.99918	0.7
82.02781	0.6
83.01247	4.0
83.34887	0.7
84.62656	0.7
85.02821	20.9
87.00743	5.8
89.02322	5.5
89.18491	0.7
91.84848	0.6
93.03347	0.9
93.15598	0.8
95.01270	4.9
99.00764	8.0
101.02317	3.6
103.00246	4.9
107.01266	2.2
109.02831	1.4
111.00764	0.9
113.02328	30.6
114.02663	1.2
115.00244	2.5
117.01856	1.5
117.03365	3.4
121.02831	1.0
123.00687	0.7
125.02331	5.4
129.01823	2.6
131.03371	1.6
133.01321	1.1
133.02856	1.7
135.04405	1.7
137.02347	14.3
149.02353	1.1
151.00267	6.8
151.03932	1.0
152.01013	1.8
153.01848	0.8
157.01367	1.5
161.02370	4.3
163.02457	1.1
164.03448	22.6
165.03754	0.9
173.02429	1.3
174.05437	1.3
175.02415	7.3
177.01839	1.8
178.99702	0.9
179.03438	4.2
193.01614	1.4
193.03465	21.2
193.53531	0.7
194.03786	1.3
200.03525	1.1
206.04532	1.4
232.02437	2.7
235.04520	1.1
240.04268	1.0
241.04912	1.6
253.05025	2.9
257.04620	2.0
263.04135	0.8
268.03821	3.1
269.04532	6.2
270.04816	1.9
271.06195	3.7
281.04572	9.7
282.04736	1.0
284.05664	3.4
285.03961	9.1
286.04584	1.8
289.05682	2.8
298.07248	5.7
299.05670	1.2
308.05649	26.9
309.05917	3.2
326.06680	64.5
327.07245	6.9
333.04639	2.7
350.06918	1.3
351.05673	100.0
352.05923	7.4
368.07907	1.4
516.10077	1.0
544.10950	1.3
568.16351	0.8
660.12115	2.2
678.12323	10.1
679.13049	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	679.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77506	0.3
58.57067	0.3
59.01251	3.7
61.98700	1.5
64.82188	0.3
65.07207	0.2
69.32802	0.7
69.33218	1.7
71.01249	2.5
71.04869	0.3
73.02821	0.6
83.01248	0.3
85.02824	1.2
89.02325	0.6
91.01762	0.5
93.03323	2.0
95.01233	0.3
95.04876	0.3
98.20545	0.5
99.00764	0.5
101.02333	1.2
107.04911	0.6
108.02018	0.3
109.02838	0.6
113.02356	1.0
117.03349	30.8
118.03683	0.9
119.04917	14.9
119.46268	0.2
120.05254	0.6
121.02854	4.2
123.04382	1.9
133.02838	1.5
133.06491	0.3
135.04449	0.6
137.02324	0.5
143.04500	0.4
145.02855	100.0
146.03197	4.2
147.04390	0.6
149.02328	2.5
150.03128	0.5
151.03915	1.9
152.00983	0.3
159.04443	0.7
161.02377	1.1
161.04706	0.3
161.05997	1.4
162.03191	0.4
163.03914	12.3
164.04202	0.4
165.01813	0.8
170.99997	0.3
175.03822	0.3
177.01834	0.8
177.03291	0.7
179.03418	15.6
180.03793	0.6
185.05962	0.4
186.06969	0.3
187.03883	1.4
191.03477	0.7
192.57819	0.3
202.34151	0.3
205.05034	0.8
209.04440	1.4
247.06085	0.7
286.95322	0.3
307.08218	47.9
308.08560	4.3
371.10950	0.4
437.30670	0.3
455.31470	0.5
472.31793	0.5
473.32611	1.0
478.32367	0.4
499.30536	0.5
517.31732	1.9
559.32233	0.5
678.35669	0.6
679.20245	27.9
679.37054	6.9
680.20593	6.4
680.36725	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.6
59.01253	8.2
61.98707	7.2
71.01248	4.9
71.52353	0.5
72.99171	0.6
73.02818	1.6
75.00725	0.6
78.95820	0.5
83.01261	0.7
85.02824	2.5
89.02322	1.6
93.03355	1.3
99.00754	0.6
99.05500	0.5
101.02330	3.4
113.02323	2.6
117.03347	28.2
119.04910	16.2
121.02847	2.1
122.41507	0.4
123.04410	0.5
123.55640	0.5
133.02861	1.7
134.03667	3.1
135.04454	2.8
137.02339	12.0
143.04555	1.0
145.02853	100.0
146.03192	5.5
147.04404	1.0
148.01535	2.9
149.02240	0.5
149.05978	0.9
150.03101	0.9
153.05431	1.0
159.04407	1.6
160.01572	0.6
161.02368	4.1
161.04521	0.8
161.05904	1.0
162.02901	0.6
163.03928	14.6
164.04237	0.8
175.03935	1.3
176.04738	0.9
177.01875	0.6
177.03325	1.5
178.02608	0.7
179.03413	2.5
180.04195	0.7
186.40736	0.5
187.03934	1.7
188.04678	1.3
193.05002	0.8
205.04974	1.0
209.11842	0.5
219.59987	0.4
247.05983	1.0
252.93854	0.6
255.06853	0.5
267.06396	0.5
268.07281	0.5
279.06613	1.0
295.06250	1.1
296.06998	5.2
297.07236	0.5
307.08224	75.7
308.08649	5.8
311.09229	5.3
312.09637	0.8
326.07999	1.1
341.10239	2.0
356.08978	5.2
371.11319	12.4
372.11591	1.4
427.44501	0.5
436.29614	0.6
454.30441	1.2
455.31250	1.3
471.31140	0.5
499.30225	1.4
516.30621	1.3
517.31409	4.9
518.31561	0.6
610.63409	0.5
619.39099	1.0
678.35571	3.3
679.20300	15.5
679.36487	13.5
680.20581	4.2
680.36334	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01791	0.9
57.03362	0.6
58.00493	0.5
58.69758	0.5
59.01250	14.4
60.01606	0.6
61.98698	2.3
61.99380	0.5
64.28095	0.5
71.01253	6.9
72.99207	0.7
73.02845	1.2
75.00780	0.6
75.44396	0.4
81.66178	0.5
82.36334	0.4
83.01287	0.8
83.04892	4.1
84.05293	0.9
85.02819	3.2
87.00786	0.9
89.02322	4.7
93.03370	1.0
95.01284	1.0
96.95919	0.5
98.19758	1.1
99.00780	0.9
101.02322	4.0
113.02344	3.9
114.73421	0.5
116.92821	1.2
117.03346	33.5
118.03700	1.2
119.03443	1.7
119.04917	21.5
120.30784	0.4
121.02917	0.7
125.02359	0.5
132.02031	0.6
133.02841	4.2
133.06499	1.2
134.03642	0.6
135.04443	2.5
136.04756	0.6
137.02351	1.8
145.02853	100.0
146.03200	4.1
147.04459	0.5
149.02310	1.2
149.06062	0.7
150.03156	0.7
160.01523	0.5
161.02351	9.9
161.04495	1.1
161.05965	3.1
163.03920	23.5
164.04324	1.1
175.03831	0.8
179.03429	4.0
205.04942	4.1
235.05978	1.4
265.07172	3.2
276.98804	0.5
318.10022	1.2
388.25296	0.7
435.28372	0.5
436.28998	0.9
437.30469	6.4
438.30179	1.0
455.31589	5.6
456.31540	0.9
457.29089	0.9
469.12796	0.8
473.31989	1.0
499.22977	0.9
499.29388	1.2
515.29462	0.9
516.30670	2.6
517.31604	33.0
517.38763	1.5
518.31580	3.6
530.20203	0.5
550.50824	0.6
558.30157	0.6
559.32660	3.5
560.32532	0.6
623.18683	0.6
678.35699	9.9
679.27936	57.3
679.52783	1.9
680.28821	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	679.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86604	0.2
55.01753	0.3
57.03332	0.3
57.89707	0.3
59.01249	7.7
61.98700	0.5
67.00428	0.3
70.64028	0.2
71.01247	5.1
72.99175	0.4
73.02794	0.5
83.01246	0.5
85.02819	1.6
87.00713	0.3
89.02316	4.0
93.03344	0.6
95.01276	0.3
99.00743	0.3
101.02324	3.3
107.63145	0.3
113.02316	1.8
113.60023	0.3
117.03347	35.0
118.03699	1.5
119.03407	1.5
119.04915	18.5
120.05226	0.8
121.02872	0.4
132.05690	0.4
133.02824	0.4
133.06471	1.4
135.04477	0.5
143.03455	0.3
145.02852	100.0
146.03198	4.2
147.04445	0.3
159.04425	0.4
161.02440	0.3
161.04442	0.8
161.05989	4.6
163.03912	21.8
164.04225	0.8
165.35484	0.2
177.05510	1.2
179.05602	0.3
187.03935	0.5
205.04994	5.2
206.05458	0.3
221.18808	0.3
235.06055	2.2
246.87860	0.3
265.07172	4.1
266.07458	0.3
276.57300	0.3
325.09113	0.6
439.17856	0.3
455.31201	0.3
499.23456	3.5
500.23453	0.6
517.32043	0.6
658.44135	0.3
679.29547	86.4
680.29938	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	679.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.5
57.03325	0.6
58.00465	0.8
59.01250	15.7
61.70738	0.4
61.98711	1.5
69.35648	1.1
69.36063	1.9
71.01256	11.0
72.99164	1.0
73.02827	1.3
83.01250	0.7
85.02818	3.4
87.00726	0.5
89.02316	6.3
93.03351	1.6
95.01275	1.4
96.95924	0.5
99.92503	0.6
101.02331	5.4
101.57680	0.4
108.02097	0.4
113.02335	4.0
114.31078	0.4
116.92767	3.9
117.03354	40.0
118.03719	1.1
119.03432	1.8
119.04922	20.3
120.05239	0.5
121.02861	1.1
123.04404	0.7
132.05746	0.7
133.02863	2.2
133.06491	4.3
134.03638	0.7
135.04422	1.9
137.02341	1.2
144.80870	0.4
145.02867	100.0
146.03194	4.9
147.04364	0.6
149.02364	0.5
150.03221	0.6
159.04353	0.4
161.02393	3.5
161.04622	0.9
161.05995	6.8
163.03929	20.0
164.04222	0.8
167.31998	0.4
177.05508	2.9
178.02544	0.4
179.03416	4.1
184.07944	0.4
187.04001	0.5
205.05014	9.8
206.05252	0.7
235.05969	1.9
265.07227	4.1
325.09409	0.4
384.84845	0.4
499.23325	3.3
499.30432	0.5
517.31519	0.5
679.29602	92.2
680.18329	1.0
680.29993	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	679.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94052	1.1
59.00960	1.3
59.01254	26.5
61.98703	100.0
71.01253	5.5
71.51643	1.3
72.75319	1.2
73.02800	1.2
73.69476	1.1
75.00753	1.3
78.95781	1.6
89.02322	2.2
96.95857	2.1
101.02351	2.8
104.11917	1.1
113.02300	4.0
118.00969	1.0
119.04897	1.8
133.02879	2.4
145.02850	3.2
157.85088	1.3
160.01669	1.4
161.02348	4.6
161.04456	2.0
171.10081	1.6
175.03940	2.7
179.03397	3.5
197.11761	33.1
198.12065	1.5
202.57957	1.2
209.11765	19.5
210.12012	1.5
223.32103	1.2
227.12860	6.5
230.25478	1.1
235.08350	1.7
253.09277	2.3
274.67316	1.3
292.46786	1.3
320.50549	1.3
327.47000	1.4
397.12802	1.5
433.20676	4.9
445.20789	1.6
472.59241	1.2
487.34277	32.7
488.35001	4.3
517.31494	2.4
576.03094	1.4
619.38165	3.8
649.39331	2.8
679.29114	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	679.3699
Annotation	Tenuifolin
Peak:m/z	Relative Intensity
51.29271	0.2
53.02459	0.2
53.88690	0.2
55.37332	0.3
57.03342	0.3
57.68825	0.2
59.00954	0.4
59.01248	6.1
61.98701	2.3
68.99670	0.3
71.01260	4.1
71.04895	1.6
71.51313	0.4
72.99171	0.5
73.02816	0.7
75.00751	0.6
78.52303	0.2
79.56537	0.2
79.67565	0.2
83.01225	0.4
83.04905	0.5
85.02831	1.1
86.00965	0.2
87.00747	0.7
89.02319	2.0
94.63127	0.2
95.01269	0.4
99.00758	1.4
101.02334	1.9
113.02324	1.9
117.03326	1.3
119.03340	0.2
119.04922	0.9
123.08058	0.4
125.72791	0.2
132.02052	0.4
133.02823	0.7
134.03651	1.1
135.04395	0.6
137.02336	0.8
145.02855	4.2
147.04359	0.3
149.02425	0.3
149.04475	0.3
149.05936	0.3
150.30923	0.2
160.01550	2.5
161.02333	1.6
161.04437	0.5
163.03958	1.0
175.03937	3.0
175.11177	0.4
179.03412	0.8
179.05612	0.3
189.12761	0.9
193.04941	1.4
201.05524	0.3
212.82996	0.3
215.07031	0.7
227.06903	0.3
229.08640	0.3
235.06087	0.7
248.03055	0.3
265.07184	0.2
295.08163	1.1
356.25110	0.3
361.25519	0.4
375.26907	0.5
377.28503	3.3
378.28851	0.6
379.26273	0.6
393.31500	0.7
395.29626	1.3
397.18701	0.2
409.31677	0.3
411.32617	3.2
412.32959	0.6
421.27396	5.6
422.27744	0.6
429.33673	1.6
430.33902	0.3
435.28674	0.5
437.30609	3.3
438.30701	0.6
439.28516	10.5
440.28928	1.0
453.29782	0.4
455.31659	7.3
456.32050	1.0
473.32718	5.4
474.33038	0.7
481.29309	1.4
499.30597	4.4
500.31131	0.9
515.34210	0.3
517.31683	22.9
518.32025	4.1
559.32642	1.7
617.37170	3.1
618.37183	0.6
661.35730	0.4
679.37061	100.0
680.37378	20.3
680.49396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3701
Annotation	2-(beta-D-glucopyranosyloxy)-3,16,20-trihydroxy-9-methyl-19-norlanosta-5,24-diene-22-one
Peak:m/z	Relative Intensity
50.82848	0.7
57.03343	0.9
59.01255	14.3
60.49778	0.7
60.99162	0.7
61.98705	17.8
62.61547	0.7
68.40229	0.8
71.01254	9.0
72.99179	1.4
73.02810	2.0
75.00742	1.8
77.28806	0.7
78.95781	1.4
83.01262	0.9
83.04875	0.7
85.02824	3.1
87.00751	0.9
89.02322	4.9
95.01230	1.0
97.02850	0.7
99.00753	1.6
101.02312	5.3
113.02369	3.8
117.03323	3.9
119.03362	1.2
119.04929	2.1
123.04396	0.9
125.02338	0.8
130.31549	0.8
133.02861	2.0
135.04419	4.0
137.02339	19.9
138.02710	1.1
143.04558	2.1
144.04883	0.9
145.02863	14.7
160.15373	0.7
161.02379	6.2
161.04489	1.0
163.04016	3.5
175.03880	0.9
177.01886	0.8
177.03328	1.7
179.03336	4.2
179.05173	0.9
180.03702	0.9
184.52487	0.8
209.11777	1.3
248.21667	0.8
275.20255	0.6
307.08292	2.4
371.11270	1.0
401.96857	0.8
421.27792	0.9
437.30518	4.9
455.32028	4.1
456.32196	1.4
473.32919	1.6
491.17703	0.8
499.30652	2.4
517.31720	15.9
518.32233	3.0
559.32440	1.2
661.35266	0.8
679.37097	100.0
680.37476	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	679.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.4
57.03305	0.5
58.00463	0.5
59.01250	7.0
60.99159	0.4
61.98709	1.4
64.28575	0.2
68.99682	0.3
71.01255	4.1
71.04890	2.2
72.99165	0.5
73.02821	0.6
75.00746	3.3
83.01239	0.9
83.04900	0.6
85.02821	1.4
87.00741	0.7
89.02316	3.1
93.03307	0.3
95.01267	0.4
98.19791	0.6
99.00771	0.5
101.02318	2.8
109.02778	0.2
111.00745	0.7
113.02345	2.2
117.03342	0.9
119.03365	0.9
119.04871	0.5
121.02810	0.4
125.02307	0.3
133.02873	0.6
135.04353	0.8
137.02437	0.2
139.00253	0.6
145.02847	2.3
146.03201	0.4
151.00285	0.3
156.00508	1.3
157.01292	0.4
161.02342	1.2
162.21454	0.2
163.03946	0.6
177.01822	0.4
179.03366	0.6
263.73917	0.2
307.08228	0.8
340.09320	0.5
347.17032	0.5
355.11835	0.6
363.26852	0.6
377.28427	0.7
379.30170	0.7
381.28110	0.6
393.31598	0.5
395.29404	0.3
397.31213	1.1
409.31403	0.3
419.29593	1.2
421.27448	0.5
423.28580	0.5
425.26819	0.4
437.30582	7.2
438.30688	1.2
441.30176	0.7
453.29968	0.6
455.31662	3.5
456.31897	0.7
468.95728	0.3
471.31140	0.7
473.32654	0.9
481.29498	0.8
482.30295	0.3
499.30588	3.3
500.30908	0.7
503.33655	0.5
517.31677	10.3
518.31757	1.8
541.31982	0.4
559.32214	0.4
579.16858	0.3
635.22864	0.3
661.35773	0.6
679.36975	100.0
680.37305	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3696
Annotation	2-(beta-D-glucopyranosyloxy)-3,16,20-trihydroxy-9-methyl-19-norlanosta-5,24-diene-22-one
Peak:m/z	Relative Intensity
56.44910	0.8
57.03309	1.8
59.00773	0.8
59.01248	14.8
61.98701	23.1
64.34239	0.8
71.01254	9.7
71.04883	1.1
72.99172	1.5
73.02820	1.8
74.02351	1.0
75.00758	1.5
78.95770	1.2
83.01247	1.5
85.02820	4.5
87.00733	1.0
89.01836	0.8
89.02297	4.9
95.01254	1.6
96.75307	0.9
99.00729	1.6
99.05541	0.9
101.02306	6.5
101.47073	0.7
109.02827	1.1
113.02338	4.4
115.97818	0.7
117.03355	10.9
117.47073	0.7
119.03405	1.7
119.04918	6.4
121.02824	1.0
121.86586	0.7
123.04343	0.9
125.02277	1.1
128.03455	0.8
133.02815	1.6
134.03615	1.1
135.04427	3.5
137.01265	1.2
137.02335	24.4
138.02676	1.0
140.66182	0.8
143.04456	0.8
145.02855	40.4
146.03183	1.6
149.02312	1.0
161.02332	6.1
161.04457	1.7
163.03947	5.5
169.12210	1.0
171.10173	1.4
172.05188	1.1
175.03882	1.2
177.03284	1.3
179.03352	4.1
187.07597	1.2
198.50809	0.8
201.05432	0.9
209.11803	1.3
215.06956	1.4
274.08087	1.3
285.03976	1.0
291.19800	0.9
296.06937	1.5
307.08246	20.5
308.08527	2.0
311.09497	1.4
356.08774	1.9
371.11273	5.5
421.27393	1.7
437.30429	4.4
454.30154	1.7
455.31424	6.3
456.31653	1.1
473.32568	2.0
499.30682	3.9
500.31216	1.3
516.30634	1.3
517.31598	17.3
518.32159	2.2
559.32874	1.0
619.38434	1.9
661.34076	1.3
679.36932	100.0
680.19214	1.0
680.26947	1.2
680.37299	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	679.3698
Annotation	Tenuifolin
Peak:m/z	Relative Intensity
56.37541	0.3
57.03311	0.3
58.00465	0.5
59.01253	5.8
61.98694	1.1
71.01250	3.8
71.04887	1.0
72.99177	0.8
73.02814	0.6
75.00742	5.3
83.04881	0.4
85.02804	1.2
87.00751	0.4
89.02319	2.2
90.65419	0.3
93.03331	5.0
94.03683	0.3
95.01246	0.3
99.00739	0.4
101.02306	1.6
106.21580	0.3
109.83346	0.3
113.02310	1.3
117.03321	0.8
119.03356	0.6
119.04887	0.3
132.01991	0.3
133.02878	0.7
135.04375	1.0
137.02347	5.6
145.02840	1.7
160.01559	0.8
161.02405	1.4
163.03871	0.9
175.03908	0.8
175.11200	0.5
179.03423	1.1
259.02512	0.4
363.26807	1.5
377.28577	0.5
379.30133	1.3
380.30707	0.3
381.27924	1.1
397.31119	1.5
407.29776	0.5
409.31161	0.4
419.29517	0.6
423.28961	0.6
425.26639	0.7
437.30560	6.3
438.30933	1.0
441.30060	0.8
453.30060	0.9
454.30652	0.3
455.31631	4.8
456.32065	0.8
471.31137	1.0
473.32690	1.3
481.29578	0.9
499.30655	4.2
500.31137	0.9
517.31628	8.8
518.32013	2.0
541.31787	0.8
559.33105	0.5
581.60004	0.3
585.33374	0.3
661.17700	0.6
661.36169	0.6
669.12872	0.3
679.37006	100.0
680.37360	24.1
700.16852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.37
Annotation	Tenuifolin
Peak:m/z	Relative Intensity
58.00455	1.5
59.01252	53.3
61.98703	98.9
71.01255	22.2
71.04902	1.1
72.99182	2.2
73.02824	3.4
75.00748	1.4
78.95756	1.6
83.01257	2.3
83.04877	1.2
85.02821	7.2
87.00761	2.6
89.02314	15.2
95.01263	2.3
95.62192	0.8
99.00766	3.6
101.02320	15.9
106.24778	0.9
111.05502	0.9
113.02336	10.8
119.03391	6.7
119.04873	1.1
133.02831	2.5
134.05965	1.1
135.04408	2.9
137.02278	1.1
143.03406	1.4
145.02847	2.0
160.01521	1.3
161.02371	5.9
161.04468	2.8
171.10150	1.5
173.06035	1.0
175.03934	1.8
179.03394	3.7
179.05521	1.8
201.05539	1.1
209.11655	1.3
213.14919	1.7
274.08514	1.7
437.30527	3.0
439.31976	1.2
455.31656	2.9
469.33423	1.3
471.31104	1.1
481.29303	5.5
482.29767	1.5
487.34305	29.2
488.34491	4.5
499.30634	20.1
500.30994	4.9
517.31897	11.7
518.31757	1.9
617.37097	7.8
618.37445	2.0
619.38013	2.7
648.21771	2.4
679.36963	100.0
680.24921	5.4
680.37366	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	679.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32240	0.3
55.01737	0.5
57.03318	0.8
58.00449	0.5
59.01251	11.9
61.98702	4.1
63.82961	0.4
69.79968	1.8
71.01254	9.3
71.04877	0.4
72.99174	1.3
73.02818	1.8
75.00737	1.5
83.01261	1.3
85.02816	3.0
87.00768	1.2
88.98680	0.8
89.02317	4.3
93.03329	0.6
95.01254	0.9
96.95885	1.3
98.20497	0.7
99.00742	4.3
101.02314	5.1
109.02867	0.4
113.02329	4.4
115.00287	0.4
117.03326	0.5
119.03401	2.0
119.04924	0.9
123.04441	0.5
125.02271	0.6
133.02846	1.7
134.13707	0.4
135.04401	1.9
137.02327	2.0
139.03911	0.5
145.02864	1.4
149.02368	0.5
151.00264	0.8
161.02333	3.3
161.04463	1.4
163.03871	1.4
166.02565	2.7
175.03836	0.7
177.01788	0.9
179.03406	1.9
179.05511	0.5
181.04980	4.1
347.09042	0.4
371.15005	0.5
387.10785	0.8
393.11783	0.5
399.20233	0.8
402.13306	0.5
417.15530	7.3
418.15851	0.9
421.27423	1.1
427.92264	0.4
437.30560	11.0
438.31055	2.3
441.30347	0.5
455.31647	11.1
456.31940	1.9
473.32794	0.9
499.30347	0.7
517.31628	22.6
518.32013	4.1
559.32990	1.5
560.32648	0.6
656.57159	0.4
679.36981	100.0
680.37396	22.3
680.49268	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07352	0.7
55.96129	0.6
59.01242	2.6
61.98697	2.0
69.80476	1.7
69.80894	1.1
71.01233	1.0
78.95774	1.7
79.78136	0.6
85.02871	0.7
94.19452	0.6
100.89401	0.6
101.02325	0.7
105.03355	1.2
117.03339	1.4
119.04877	1.6
130.90735	0.7
132.02061	14.2
133.02869	7.7
134.03624	14.1
135.04460	2.8
147.04382	1.2
149.05994	1.9
150.38261	0.6
150.75017	0.6
153.13359	0.6
160.01569	70.2
161.02344	9.6
161.04350	0.7
162.02823	0.6
175.03922	89.4
176.04257	3.9
177.01862	1.5
179.03429	2.8
191.03467	2.0
193.04997	12.8
211.13333	1.1
335.27603	0.6
336.29187	0.7
407.15256	0.8
455.31702	0.8
493.78070	0.7
501.32172	0.7
527.02148	0.6
577.55151	0.6
617.38757	3.3
618.39337	1.2
619.36975	0.8
633.40424	1.4
635.39526	1.2
661.37286	1.6
679.38470	100.0
680.38782	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.0
61.98707	100.0
62.98407	0.2
69.30206	0.9
71.01275	0.3
85.02857	0.1
89.02357	0.1
101.02345	0.2
113.02393	0.2
115.07887	0.1
117.03336	0.1
118.57752	0.1
125.57108	0.1
126.35049	0.1
129.18243	0.1
145.02849	0.7
146.03259	0.2
148.00308	0.1
161.02428	0.2
161.04514	0.2
179.03412	0.2
209.11807	0.1
307.08423	0.4
308.08820	0.2
354.07913	0.1
455.26648	0.4
487.34360	0.4
488.34671	0.9
539.92633	0.1
680.37695	0.3
681.37830	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48612	1.3
59.01244	3.0
61.98703	100.0
66.23882	1.5
78.36888	1.5
78.95780	3.8
89.02347	1.8
96.64552	1.5
101.02332	2.3
102.83592	1.6
152.99507	2.2
174.11086	1.4
209.85551	1.6
235.08038	1.6
277.21555	3.7
283.26437	6.6
295.22705	7.8
329.23074	2.5
397.13416	4.4
415.14642	2.5
512.38062	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	680.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84337	1.1
59.01234	1.7
61.98706	100.0
63.26611	1.1
66.41087	1.1
68.89596	1.1
69.20056	1.1
71.52003	1.6
78.95782	1.3
80.91901	1.4
87.23026	1.2
100.80534	1.3
152.99452	1.8
158.12727	1.3
159.02147	1.2
172.47847	1.5
177.79312	1.2
178.57164	1.3
293.37012	1.2
302.38730	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	6.4
60.99174	18.3
61.98691	1.9
69.23824	3.9
71.01249	5.7
72.99174	0.7
73.02798	0.8
75.00756	0.6
83.01235	0.6
85.02829	3.5
87.00749	0.9
88.98676	100.0
89.02311	2.6
89.99008	0.7
93.03286	1.0
95.01270	1.0
99.00742	0.7
101.02322	2.7
109.02843	1.1
113.02343	4.3
117.03357	5.0
118.92609	0.5
119.03396	0.7
119.04906	2.9
121.02841	0.6
123.04398	0.5
125.02303	0.6
133.02843	9.2
135.04459	3.5
136.01521	1.4
137.02325	1.4
139.03937	0.5
145.02847	18.2
146.03217	0.5
147.04440	0.7
149.02342	0.9
151.03925	1.4
151.91199	0.5
161.02348	28.1
161.04433	0.8
162.02675	1.7
163.03972	2.6
176.04515	0.5
176.28252	0.5
177.01866	0.5
178.02660	0.6
179.03429	4.2
179.04854	0.6
179.05399	0.5
180.03755	0.5
181.04945	1.3
193.04988	0.7
218.64355	0.4
307.08191	7.2
318.90652	0.6
359.11215	0.6
373.12924	1.4
438.31180	0.7
455.31299	0.6
456.31897	1.2
457.33240	0.9
464.13464	0.9
517.31879	1.6
518.32141	4.5
519.32886	3.5
591.20795	17.3
592.21149	3.2
593.22955	0.5
621.34338	0.6
680.37805	3.7
681.21313	3.5
681.38306	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	681.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22235	0.3
55.01744	0.6
57.03316	1.2
58.00449	0.4
59.01249	8.7
66.31548	0.3
68.99682	3.9
69.03322	0.5
69.32428	2.3
71.01253	18.3
72.01572	0.3
72.99177	11.0
73.02816	1.6
75.00745	7.5
83.01251	2.6
84.01997	0.4
85.02821	12.6
87.00750	4.1
89.02311	3.5
93.03311	1.6
95.01263	3.1
96.95913	0.3
97.02823	0.7
99.00163	0.5
99.00757	5.5
101.02316	3.4
103.00242	3.0
105.03378	0.5
111.00722	0.7
113.02329	18.7
114.02702	0.5
115.00254	2.3
117.01796	0.8
119.04913	100.0
120.05254	4.3
121.02849	0.3
123.04416	2.7
125.02366	0.4
128.55255	0.3
129.01817	1.2
131.03406	1.0
133.01329	1.0
133.06419	0.4
137.02353	0.6
143.03397	0.4
145.02859	3.0
147.04459	0.7
149.04405	0.3
149.05998	1.6
151.03883	0.5
157.01364	1.1
157.98508	0.3
161.02359	0.7
161.06021	1.2
163.03914	57.0
164.04272	2.3
175.02419	4.0
175.03868	0.3
179.05487	0.6
193.03484	9.2
193.05006	0.7
194.03899	0.4
205.05003	1.2
231.05022	0.5
235.04568	1.0
271.02353	2.0
289.05539	1.6
298.13940	0.3
299.02017	3.4
300.02728	1.7
309.07590	0.6
313.03638	0.5
314.04227	2.7
315.05176	2.5
325.09268	6.4
326.09491	0.5
328.05527	0.5
329.03082	0.6
329.06638	4.4
330.07162	0.4
333.04703	1.0
337.09012	0.4
339.12259	0.8
351.05667	42.6
352.05984	3.3
355.10165	1.9
371.07437	0.5
373.11331	0.5
379.44171	0.4
395.09760	6.1
396.10056	0.4
465.50262	0.3
501.14166	1.3
519.14838	0.9
681.20532	17.7
682.21027	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	681.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84838	1.0
55.01751	1.4
55.85274	1.0
59.01252	15.5
61.98703	8.4
62.97902	1.1
69.03305	1.6
69.16248	2.2
69.16655	9.0
71.01250	15.8
73.02823	3.9
80.16229	1.0
83.01257	2.3
85.02827	4.3
87.00732	1.8
89.02314	9.6
93.03325	1.5
95.01273	1.7
101.02322	11.6
108.02064	3.4
109.02842	2.0
113.02314	6.6
116.92725	1.3
117.03351	25.4
118.03671	1.5
119.03386	3.3
119.04934	14.5
121.02851	2.9
123.00769	2.3
123.04391	4.4
125.02334	2.2
132.02013	1.2
133.02849	3.2
134.03598	2.6
135.04428	2.3
136.01567	9.9
137.02307	4.3
143.03410	2.4
143.12236	1.0
145.02855	100.0
146.03131	6.1
147.04457	1.4
148.01559	11.2
149.02298	1.5
149.05969	2.0
150.03127	3.4
151.03920	8.5
153.05505	9.5
160.05232	1.6
161.02344	5.9
161.04446	2.3
161.05943	2.9
163.02541	1.9
163.03917	37.4
164.04398	1.9
165.05534	1.4
166.02635	8.0
177.01837	2.9
177.05385	1.6
178.02637	36.3
179.03358	5.4
179.05579	1.5
179.14265	1.2
181.04982	32.7
182.05219	1.3
187.03909	1.5
192.03987	1.1
193.04994	86.7
194.05307	5.3
195.13844	5.4
205.04889	2.2
205.12244	4.4
206.05222	1.2
209.04465	3.2
211.06065	45.8
212.06427	1.7
223.13341	42.9
224.13708	1.8
234.57253	1.0
235.08206	3.2
254.05708	2.7
255.06421	1.1
265.07202	2.8
269.08221	2.9
270.08899	1.4
281.06329	1.2
284.10672	1.5
307.08224	59.4
308.08606	4.2
337.09241	1.3
343.11783	2.7
373.12802	3.1
397.08432	1.8
397.13519	29.6
398.13873	1.9
415.14526	14.0
457.33099	2.6
459.13272	9.1
460.13046	1.2
489.14005	5.7
490.14157	1.6
501.13995	15.2
501.32016	1.1
502.14111	2.0
518.14081	3.4
519.15009	10.5
519.33167	6.1
520.15479	1.5
527.80310	1.3
621.27570	9.8
681.20123	5.7
681.39948	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	681.3857
Annotation	Trachelosperoside B-1
Peak:m/z	Relative Intensity
55.01744	1.0
57.03299	1.3
58.00442	1.6
59.01252	31.3
61.98672	1.8
63.10704	0.6
71.01252	23.8
71.04883	4.3
72.99155	2.4
73.02782	2.7
75.00702	1.0
78.29897	0.7
78.95758	1.4
83.01250	1.8
83.04869	2.4
85.02817	6.4
87.00732	2.0
88.98624	0.6
89.02324	15.6
90.53704	0.6
93.03273	0.8
95.01253	3.5
96.96831	1.0
97.02778	1.0
97.06448	1.2
99.00729	1.6
101.01711	1.0
101.02327	12.8
105.03368	0.9
109.65338	0.6
111.00730	0.6
111.88989	0.7
113.02334	9.6
119.03383	6.3
123.04385	0.7
125.02308	1.1
128.03430	0.7
133.02863	3.3
135.04431	4.7
137.02261	2.1
143.03369	1.1
145.02802	1.4
149.02261	0.6
161.02354	6.5
161.04436	2.9
163.03922	0.9
165.01874	0.8
177.01831	2.7
179.03429	4.6
179.05594	3.1
193.04901	1.0
274.37457	0.7
315.10837	1.3
353.24896	0.8
370.51877	0.7
371.25797	1.7
385.27274	1.5
405.26511	2.6
423.24057	0.7
457.33206	2.6
471.31299	4.1
475.34344	1.4
501.32214	100.0
502.32526	18.1
519.33197	5.7
520.33527	1.1
681.19897	1.7
681.38544	60.5
682.39014	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	681.406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.5
57.03329	1.2
58.00457	2.6
59.01250	41.8
61.98687	1.2
66.43815	0.7
69.03315	1.8
71.01255	37.7
71.51620	0.8
71.76054	0.8
72.99184	2.4
73.02805	6.4
78.95781	1.7
81.03320	1.1
83.01259	3.8
85.02833	9.4
87.00746	8.2
89.02316	30.5
91.03828	0.9
95.01262	3.3
97.02819	6.6
99.00746	2.3
101.02322	26.8
109.97836	0.8
111.04423	0.8
113.02324	15.1
119.03394	8.9
121.02849	1.2
125.02338	13.3
131.03435	1.7
133.02846	1.0
133.04965	1.3
134.78860	0.8
139.03925	1.2
143.03404	6.3
149.04439	1.9
161.04492	7.7
179.05544	5.8
179.50026	0.8
182.05200	0.8
185.04520	1.2
198.74750	0.9
209.11836	4.1
217.06975	0.9
221.06522	2.1
223.13206	0.8
230.56308	0.9
235.08191	14.1
253.09262	3.0
253.21741	8.3
263.07632	1.2
277.21741	2.6
283.26419	100.0
284.26733	9.9
287.07697	4.3
305.08755	4.8
319.41467	1.0
323.09750	1.9
379.12366	1.0
397.13501	88.2
398.13797	6.3
415.14548	33.6
416.14975	1.7
445.23706	2.1
473.98151	1.0
681.38916	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.9
58.00467	2.7
59.01251	41.0
61.98711	17.8
65.00191	3.7
71.01255	44.9
71.52374	3.7
72.99181	6.2
73.02817	5.1
83.01250	4.2
85.02830	34.2
87.00756	26.9
89.02319	17.8
91.01775	7.6
93.03326	6.5
95.01259	13.8
97.02883	2.9
99.00759	2.9
101.02319	19.2
105.03329	6.3
106.03974	3.7
107.21661	2.4
108.02045	5.6
109.02872	6.4
113.02335	64.0
117.03359	11.9
119.01259	3.8
119.03413	6.4
119.04913	7.5
121.02855	35.2
123.00742	5.9
123.04433	21.1
124.01544	5.3
125.02287	4.4
132.02101	6.3
133.02850	12.6
134.03633	52.6
135.04414	22.8
136.01570	7.4
137.02341	17.8
137.05923	3.3
138.03116	2.8
139.03896	8.8
143.03404	6.8
145.02846	38.3
147.00772	20.1
148.01613	13.6
149.02309	22.0
149.05977	5.9
150.03148	4.3
151.00189	3.1
151.03931	6.1
153.05478	6.2
160.01588	19.7
161.02356	31.7
161.04460	10.2
163.00331	3.4
163.03937	19.8
164.01057	30.0
165.01714	4.0
166.02518	3.3
167.03433	9.2
167.07016	5.0
175.00296	9.3
175.03902	25.6
176.01129	7.4
176.04646	9.8
177.01860	6.6
178.02586	6.4
179.03430	32.5
179.05069	4.1
181.04970	11.5
191.03419	5.2
191.07085	11.1
191.63226	2.6
192.00571	28.9
193.01183	2.9
193.05005	73.2
207.02919	100.0
208.03262	5.4
209.04459	5.8
225.04164	5.0
307.08130	18.6
329.12308	5.8
345.13403	2.9
348.44809	2.5
381.80093	2.9
409.10822	3.2
413.76309	3.3
454.22247	2.7
475.18243	24.5
476.18936	5.8
491.17514	4.2
522.03027	2.9
540.80322	3.0
621.17548	5.3
651.19238	10.9
652.19830	3.3
665.20612	3.1
682.37799	7.3
683.21375	54.2
683.38647	7.3
684.21704	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.6
61.98698	0.8
70.81176	1.9
71.01253	3.8
77.95016	0.7
85.02813	5.5
86.33482	0.9
88.64980	0.7
89.02325	1.2
94.44051	0.7
95.01255	1.8
97.69123	0.8
101.02326	0.9
103.20207	0.8
107.04909	1.0
108.02122	0.8
113.02336	12.5
117.03333	1.4
118.21448	0.7
132.02031	2.2
133.02853	38.0
134.03717	4.1
135.04414	69.1
136.04776	2.8
137.01450	1.1
137.02339	6.4
138.03119	2.6
149.02405	0.8
159.49466	0.8
160.03633	0.8
161.02350	87.0
161.04501	2.3
162.02679	3.8
165.01848	5.8
166.02570	2.5
179.03419	100.0
180.03802	6.1
181.04965	1.6
193.05104	0.9
210.43544	0.8
487.14526	11.5
488.14999	1.2
489.16068	3.6
552.51813	0.8
561.15955	1.0
651.19318	48.9
652.19623	9.1
683.22070	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	683.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74727	0.2
53.02632	0.2
54.43199	0.2
55.93188	0.2
57.03339	0.4
58.00470	0.3
59.01250	3.6
60.28716	0.2
61.98705	0.4
63.92647	0.2
71.01250	4.7
71.01622	0.4
71.52550	0.3
72.99184	0.5
73.02830	0.4
85.02823	5.9
87.00750	0.5
88.98688	0.4
89.02323	1.7
89.03865	0.4
91.05417	0.3
93.03343	0.5
95.01254	2.3
97.02847	0.3
99.00786	0.4
101.02325	1.0
101.02947	0.2
103.03912	0.3
105.03332	0.7
105.07584	0.2
107.04929	0.7
108.02068	0.2
109.02835	0.7
111.00766	0.3
113.02334	11.9
114.02721	0.3
117.03362	1.1
118.95757	0.2
119.03411	0.2
121.02869	0.6
123.04402	0.6
132.02066	1.6
133.02853	30.8
133.99953	0.2
134.03596	3.2
135.04414	64.3
136.01613	0.3
136.04744	2.7
137.02350	4.6
138.03139	2.2
139.03928	0.7
142.68512	0.2
143.03383	0.5
145.02896	0.3
148.01564	0.9
149.02417	1.2
149.05984	0.3
150.03134	0.5
151.03908	1.4
160.01663	0.2
161.02351	84.3
162.02687	4.7
164.86772	0.3
165.01859	4.7
166.02644	2.5
167.26315	0.2
173.06081	0.2
175.03996	0.5
177.01965	0.5
177.05403	0.4
178.02611	0.4
179.03418	100.0
180.03778	5.8
181.05046	2.8
185.04228	0.2
189.05534	0.3
191.03392	0.8
193.05016	0.7
203.03452	1.2
207.10207	0.6
209.04543	0.4
217.05075	0.3
221.04448	0.4
223.09785	0.2
225.11304	0.5
233.04469	0.7
245.04555	0.9
251.05544	0.3
305.06720	0.4
323.07651	0.4
325.09177	1.0
368.64594	0.2
461.18201	0.5
469.13422	0.4
487.14603	8.3
488.14658	1.2
489.16241	2.4
623.25952	0.4
651.19275	33.6
652.19604	7.0
683.21869	4.6
683.33307	0.4
684.22278	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95536	0.5
58.00454	1.1
59.01251	27.9
68.73698	0.6
69.45998	0.5
71.01255	25.9
72.99169	2.3
73.02802	0.6
75.00743	3.6
79.39192	0.6
83.01264	1.1
85.02821	4.1
87.00738	3.4
89.02316	31.1
90.02655	0.7
95.01263	1.3
97.02843	0.8
101.02315	13.6
113.02330	11.6
114.02596	0.6
119.03382	13.4
131.03412	1.3
143.03394	3.1
149.04425	1.1
161.04453	5.2
167.86966	0.6
179.05525	28.1
180.05823	1.2
189.48871	0.7
200.97063	0.6
202.83383	0.6
233.37486	0.5
287.90536	0.6
310.03519	0.6
341.10873	100.0
342.11227	5.8
453.91284	0.6
462.62579	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.9
57.03316	2.9
59.01249	25.2
59.69818	1.3
69.30274	1.3
71.01249	31.1
71.04893	5.8
72.99180	3.4
73.02825	4.2
75.00751	2.8
76.66507	1.5
78.07009	1.5
81.03323	16.0
83.01257	2.3
85.02830	8.4
87.00746	4.0
89.02315	15.4
97.02814	2.3
98.20648	3.4
99.00754	2.8
99.04380	3.9
101.02324	20.4
111.04381	1.6
113.01737	1.2
113.02361	11.4
116.04669	1.6
119.03406	4.1
119.04918	1.7
123.04420	1.9
125.02354	2.7
137.02263	1.4
139.11217	1.6
143.03401	13.2
161.04504	2.0
163.03932	1.6
166.47783	1.2
178.02551	1.4
179.03421	2.0
189.09146	8.7
193.05099	1.3
193.07106	1.6
207.10217	2.7
226.45215	1.4
248.85963	1.3
285.04031	5.1
310.66623	1.6
345.15479	4.8
355.12460	3.8
357.99731	1.3
369.15448	4.0
461.07532	1.5
683.27728	100.0
684.27832	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	683.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.9
57.03320	3.0
58.00462	1.8
58.31308	1.7
58.43598	1.3
59.00954	3.0
59.01250	54.6
61.98716	1.6
62.83228	1.3
66.84644	1.5
69.03309	2.5
70.42951	2.5
70.43293	1.8
71.01254	64.8
72.01586	1.3
72.99175	13.0
73.02823	31.9
75.00745	2.1
83.01266	5.7
85.02820	30.0
85.03297	2.5
87.00754	5.9
89.01759	3.3
89.02316	64.1
92.40376	1.6
93.03365	2.4
94.00448	1.3
95.01262	10.3
97.02834	5.0
99.00758	100.0
100.01112	2.1
101.02319	32.2
108.02063	4.2
109.02836	1.6
111.00762	1.8
113.02328	63.5
114.02674	2.1
116.29486	1.5
119.03380	3.9
119.04929	10.1
121.02829	2.3
121.10130	24.3
123.04399	1.7
125.02296	2.7
131.03410	17.7
133.02875	2.1
134.03691	2.5
135.04422	4.3
137.02341	3.1
143.03412	5.4
148.49063	1.4
149.02563	2.4
149.04463	57.7
150.03218	2.3
150.04803	2.2
151.03979	2.5
152.01039	6.6
153.01852	2.4
160.01569	2.9
161.02353	3.3
161.04460	31.1
163.03906	8.0
165.09129	51.4
166.09473	3.0
175.03883	3.8
176.00998	1.6
176.04657	1.3
179.03453	3.8
181.05052	1.4
190.02632	3.2
191.03690	2.1
191.05542	32.6
191.07159	2.7
193.04959	4.1
205.04968	1.5
207.10153	12.7
218.99388	1.5
223.08128	14.0
225.11292	1.9
233.06660	12.3
235.06078	2.8
237.11317	18.9
274.04364	1.4
293.08740	3.8
297.13434	17.1
315.07367	2.9
339.14438	7.7
345.15536	3.6
381.15210	2.0
459.18726	58.0
460.19022	7.2
477.19763	24.8
478.20065	4.7
521.12689	9.4
522.13538	1.8
683.19330	2.5
683.28986	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	683.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50509	0.5
52.25959	0.5
55.01759	0.6
57.03321	1.2
59.01249	9.4
61.98702	13.9
64.51031	0.5
69.03321	5.1
71.01255	8.8
71.04890	2.5
73.02798	1.0
78.95789	2.0
80.02538	0.7
81.03346	0.7
83.01257	1.1
83.04903	1.9
83.43191	0.5
85.02821	3.9
87.00776	1.1
89.02311	5.9
93.03356	0.7
95.01260	1.3
95.04940	0.8
97.02836	1.3
97.06464	0.9
99.00756	0.7
101.02317	5.7
104.81386	0.5
109.06475	3.1
112.69301	0.4
113.02316	3.1
119.03365	1.5
119.04915	0.6
121.02850	2.2
121.06486	0.6
123.08059	1.4
125.09602	2.2
131.03307	0.5
135.04424	1.6
137.09608	0.6
143.03447	0.7
149.09579	0.7
151.11191	1.6
153.12741	1.5
161.02434	1.0
161.04469	1.6
161.09627	3.6
163.07484	0.6
163.11194	1.9
167.10706	1.8
171.10173	1.8
177.12822	1.2
179.03424	1.4
179.05547	2.0
179.10701	8.7
179.14339	1.9
185.11755	1.1
195.13858	5.7
197.11763	75.1
198.12090	4.8
205.12265	2.2
207.10213	7.4
209.11734	4.7
219.78462	0.5
221.11772	5.1
222.12085	0.7
223.09676	1.9
223.13338	16.6
224.13690	1.5
225.11284	3.4
229.21246	0.5
233.00871	0.6
235.08252	0.9
237.14874	3.6
239.12874	4.3
241.10725	3.8
253.09245	3.4
255.23326	0.7
277.21771	1.7
297.28790	0.6
357.66003	0.6
403.24854	1.1
411.21381	0.6
457.33362	0.6
459.18747	1.2
461.20224	1.1
475.21863	1.1
477.19714	3.7
485.32556	2.0
486.33127	0.6
503.33780	22.6
504.34183	3.3
604.78485	0.6
665.32452	1.6
683.32788	100.0
684.33099	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	683.401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12856	0.5
57.32643	0.4
59.01250	9.3
61.98701	6.8
70.83917	1.0
70.84290	0.5
71.01252	11.3
72.99181	0.9
73.02843	1.2
78.95779	1.4
83.01219	0.7
85.02812	1.7
87.00755	0.9
89.02317	12.5
95.01210	0.5
97.02831	0.6
101.02322	5.4
109.06449	0.7
113.02322	3.3
119.03397	2.6
127.54906	0.5
131.03377	0.8
135.04387	0.7
143.03421	1.6
161.02333	1.7
161.04469	2.2
179.03395	1.2
179.05531	7.3
197.11819	0.6
207.10168	1.5
221.11801	0.9
223.13368	0.9
225.11252	0.8
239.12625	0.7
246.82664	0.5
254.74352	0.5
258.35977	0.6
318.75244	0.5
377.78125	0.5
393.31573	0.9
401.28510	0.7
407.29865	1.3
409.31195	2.2
421.31137	3.6
439.32156	0.8
441.33774	5.5
442.33832	0.8
453.30219	0.9
457.32974	2.3
473.32651	1.9
485.32834	6.0
486.33054	1.2
503.33765	100.0
504.34122	16.6
555.08893	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	3.5
57.03309	2.5
58.00444	0.8
59.01249	19.2
60.99187	3.3
61.98700	7.1
69.03316	1.0
71.01252	35.1
71.04836	0.6
72.99173	2.1
73.02816	12.0
75.00749	1.4
75.26293	0.5
83.01255	7.6
85.02820	21.9
85.65795	0.6
85.99952	1.6
87.00743	2.7
88.98679	10.7
89.02303	5.4
89.99028	0.6
93.03328	0.9
95.01271	3.5
97.02801	1.3
97.06491	0.6
98.20563	1.8
99.00746	5.0
101.02325	24.8
102.44630	0.5
109.02853	1.4
109.06564	0.6
111.00743	1.8
113.02327	15.4
114.02679	0.6
117.03349	1.4
119.03371	2.3
119.04905	2.1
121.02808	1.1
123.04408	1.3
125.02332	1.1
129.01875	1.3
133.02850	6.2
134.03638	1.3
135.04428	8.6
135.08028	0.5
135.37877	0.6
137.02327	1.9
143.03354	1.7
143.82272	0.6
145.02872	3.2
146.03209	0.6
147.04494	0.6
149.02330	1.5
150.03087	0.8
151.03926	1.2
152.01044	0.7
153.01817	1.1
155.83165	0.6
159.02921	2.5
159.04146	0.5
160.01489	0.7
161.02361	12.9
161.04427	8.1
161.05815	1.1
162.02699	1.2
163.03896	2.1
165.01768	0.7
165.05484	0.5
167.03401	0.9
175.02281	0.6
175.03992	0.7
177.01840	2.0
178.02693	0.6
179.03424	9.9
179.05057	0.9
179.05588	0.8
180.03793	0.7
193.04906	1.1
205.03325	0.6
209.11755	0.8
209.70442	0.5
243.03076	0.7
271.02457	0.8
299.01962	1.9
427.32224	0.9
439.32043	1.2
459.34872	7.8
460.35349	0.8
469.13412	1.1
477.35818	1.5
487.14676	1.5
503.08771	1.6
533.27765	0.7
566.27277	0.6
591.20282	1.1
593.21185	1.5
603.38379	0.5
621.18304	1.2
621.39984	6.6
622.40106	1.2
639.41241	3.3
640.41376	0.6
651.19202	0.9
683.40051	100.0
684.29224	1.5
684.40503	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	685.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62094	0.7
59.01009	0.7
59.01252	8.7
61.98705	4.9
69.03316	1.2
69.45394	4.5
71.01251	10.2
72.99171	1.3
73.02802	2.3
75.00713	1.2
78.95770	0.9
81.03336	1.1
83.01250	2.2
83.60135	0.6
85.02837	4.8
86.64388	0.6
87.00739	2.3
88.98669	0.7
89.02300	3.8
93.03328	3.6
95.01251	1.6
99.00726	1.0
101.02328	4.9
108.02048	14.4
108.04424	0.9
109.02830	6.8
111.00742	1.3
112.26879	0.7
113.02339	5.6
114.02632	0.7
115.00236	1.7
117.03330	1.4
119.03344	1.1
119.04869	1.2
121.02805	1.8
122.06033	1.3
123.04364	2.3
125.02348	1.4
126.63908	0.6
133.02814	5.1
134.03497	0.7
135.04411	6.5
137.02353	3.4
139.00243	1.6
145.02852	6.2
146.03215	1.0
147.03294	0.6
148.03918	1.0
149.02307	1.2
149.05968	4.0
150.03119	1.3
150.05469	2.0
151.03879	2.3
152.01060	12.5
152.07062	0.8
153.01854	4.3
160.01537	0.9
160.03949	3.8
161.02373	9.3
161.04385	1.1
162.02660	1.9
163.00201	1.0
163.03867	2.1
165.01828	2.0
165.05443	0.9
174.01593	0.9
175.02420	3.8
175.03908	2.2
176.01015	1.1
177.01794	4.7
179.03426	8.6
187.03972	0.7
188.03487	1.7
189.05499	1.5
193.01314	1.8
193.04916	1.0
212.07242	3.0
215.03549	0.8
225.04434	0.7
225.06612	1.3
227.08180	1.2
237.03964	1.7
237.06303	1.1
237.10147	1.3
238.08597	2.0
239.08138	1.1
240.05254	1.8
240.67570	0.7
241.06120	1.6
243.11336	1.1
249.06898	0.8
252.54622	0.7
253.06221	1.3
254.06868	0.9
255.07739	6.3
257.09225	1.7
265.06296	1.1
265.09827	2.5
266.08453	3.7
267.04398	1.0
267.07712	5.6
267.10706	1.0
269.09250	3.6
271.07239	0.7
280.04788	1.9
280.07809	0.7
281.06186	1.3
281.09302	5.6
282.02817	0.9
283.07190	3.7
283.10757	2.1
291.07712	1.3
293.09250	3.6
294.06662	5.6
295.07193	14.3
307.08179	1.3
308.08450	0.9
309.08807	22.2
310.09204	1.5
311.10449	4.6
315.07068	7.7
315.10065	0.8
319.07416	1.3
337.08307	41.1
338.08621	3.7
351.05707	1.2
353.07788	0.7
357.08304	0.9
361.29639	1.3
385.10117	0.7
523.34814	1.0
524.20557	1.1
567.21039	1.2
609.17059	8.4
610.17584	1.6
635.15613	1.7
653.16217	100.0
654.16522	16.8
667.22858	1.0
684.38763	0.9
685.22815	4.5
685.40088	14.0
686.39948	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.4
58.26862	0.7
59.01247	11.5
61.98477	0.6
61.98707	6.9
65.26093	0.7
66.21280	0.7
69.03326	1.0
70.90729	2.0
71.01255	13.1
71.67200	0.8
72.99179	1.8
73.02812	1.9
75.00735	1.7
77.19427	0.8
83.01266	1.6
85.02827	7.2
87.00758	1.2
88.98676	0.9
89.02317	6.8
93.03351	1.6
95.01250	2.5
96.95870	1.1
99.00752	1.4
101.02321	8.4
108.02048	14.4
108.04438	1.2
109.02869	5.7
110.33429	0.7
111.00752	0.8
113.02335	8.1
116.92744	2.1
117.03351	1.1
119.03361	2.2
119.04922	2.5
121.02814	2.1
123.04403	3.0
125.02296	0.9
132.02094	1.5
132.04425	1.4
133.02878	9.2
134.03622	1.7
135.00758	0.9
135.04411	10.6
136.01575	0.8
136.04726	1.6
137.02313	3.4
145.02859	6.7
146.03401	0.7
149.02327	2.3
150.03105	1.6
150.05516	2.0
151.03893	2.4
151.07564	1.2
152.01059	14.9
153.01845	3.9
153.05510	1.0
159.26346	0.8
160.01572	2.0
160.03920	4.2
161.02348	23.7
161.04405	1.0
162.02672	5.1
162.05550	0.8
163.03908	2.7
165.01892	0.8
165.05473	1.5
175.03926	2.8
175.15221	0.8
177.01842	4.2
178.02565	0.9
179.03423	12.1
179.05035	1.1
179.05554	0.7
180.03787	1.5
185.05977	0.9
187.07574	1.5
188.03520	1.3
193.04974	4.7
195.02885	0.7
195.06554	3.7
210.09166	0.8
212.07214	2.0
227.08264	2.1
237.07759	0.8
237.10260	1.0
238.08762	2.0
239.05980	0.9
239.08212	2.1
240.05316	2.4
241.06128	1.3
243.11418	1.5
249.64502	0.9
250.08195	1.2
251.08072	1.1
252.06577	1.1
253.06020	1.2
253.09822	0.8
255.07820	4.9
257.08960	1.0
265.06259	1.0
265.09766	1.8
266.08096	3.0
267.04099	0.9
267.07733	5.6
267.10507	0.7
268.08304	1.0
269.09348	3.7
271.07355	1.9
280.04834	2.3
281.06009	1.3
281.09305	5.8
282.02930	1.2
283.07272	4.4
283.10449	1.0
291.07736	0.9
293.06107	1.1
293.09274	4.7
293.12134	0.8
294.06836	5.4
295.07214	13.0
307.08072	2.2
309.08786	24.0
310.09192	2.7
311.07092	0.9
311.10330	4.5
315.06982	6.0
315.10043	0.7
319.07343	1.3
327.12915	1.1
337.08301	38.4
338.08823	4.3
341.10245	1.0
345.15518	2.0
355.09137	0.8
357.11902	1.3
375.20261	1.0
396.50342	0.9
485.97433	0.8
523.34412	1.4
609.17310	7.0
610.18774	1.3
622.22327	6.1
623.21527	1.2
635.14771	1.0
641.22888	0.9
653.16235	100.0
654.16614	19.6
684.38373	1.8
684.72015	1.6
685.22113	7.0
685.39807	17.7
686.22247	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.5
57.03312	1.2
59.00994	0.8
59.01256	8.9
61.96292	0.6
61.98702	1.5
65.00194	0.7
67.01752	0.9
69.03317	1.4
71.01254	15.2
71.52785	0.7
71.53139	0.7
72.99177	10.4
73.02813	4.5
75.00755	1.8
77.16291	0.8
79.01765	0.8
81.03336	1.1
83.01257	1.8
85.02827	14.2
87.00748	2.9
89.02335	3.0
93.03333	7.5
95.01260	4.5
95.04905	1.8
96.95866	1.3
97.02830	2.0
99.00757	2.9
101.02323	9.7
105.03333	1.9
108.02026	1.4
109.02847	6.7
111.00793	1.8
111.04371	0.7
112.01530	0.9
113.02335	17.6
119.01257	0.7
121.02848	7.7
122.03626	1.0
123.00763	1.7
123.04420	12.4
123.68620	0.6
124.00336	0.6
124.01525	1.3
125.02324	2.1
129.01837	0.8
132.02043	1.2
133.02850	8.4
134.03596	1.8
135.04410	31.9
136.04790	2.5
137.02342	24.7
138.02710	1.7
139.03877	4.0
140.04204	0.7
141.01831	0.7
143.03412	2.0
147.00787	2.0
148.01541	2.5
149.02356	16.4
150.03166	4.6
151.03914	18.7
153.01823	1.2
159.02902	1.3
161.02361	21.3
161.04382	5.9
162.02693	1.7
163.00230	1.4
163.03958	1.3
164.01025	2.6
165.01843	19.3
166.02228	1.1
167.03398	3.9
175.00317	2.4
176.00998	0.7
177.01854	13.2
177.05478	0.8
179.03419	63.4
180.03723	3.2
183.02916	0.6
185.11777	2.2
190.99841	0.8
192.00577	3.0
193.01353	100.0
193.05008	2.0
194.01707	5.4
195.02919	3.5
203.03513	0.9
205.05017	1.2
209.11768	0.7
211.02411	0.9
223.08246	5.0
283.10953	0.9
303.18146	1.0
329.16043	2.3
341.10760	1.1
347.17145	5.6
352.98785	0.6
459.15091	13.1
460.15536	1.3
461.20306	53.0
462.20560	5.5
475.14252	0.8
479.21393	11.6
480.21777	1.1
487.14728	4.7
491.17880	1.4
515.13977	1.0
621.18365	1.7
635.16394	1.6
653.17175	6.7
654.22919	2.5
667.18890	3.1
685.18738	3.5
685.29938	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	685.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.4
55.72273	0.4
57.03329	0.8
59.01252	10.3
61.98707	5.5
63.99106	0.6
69.03327	4.5
69.16657	4.0
71.01260	8.4
71.04890	1.8
72.99165	0.6
73.02831	1.2
75.00746	0.5
75.73015	0.5
80.02513	0.7
81.03322	1.9
83.01249	1.2
83.04879	2.1
84.02061	0.7
85.02834	2.8
87.00756	1.8
87.04388	0.5
89.02328	3.2
93.03340	0.6
95.01269	1.0
95.04891	1.2
96.95893	0.5
97.02840	3.2
97.06488	0.8
99.00758	1.7
101.02326	6.0
107.04940	0.8
108.02052	0.6
109.02823	0.7
109.06476	18.9
110.03601	1.2
110.06804	0.8
111.04440	1.0
113.02328	3.6
119.03394	0.8
119.04890	0.5
121.06498	1.3
123.04382	0.8
123.08031	2.1
125.09599	4.1
133.02820	1.3
133.59169	0.5
135.04396	1.8
135.08064	1.6
136.05223	0.8
137.09561	0.6
142.02669	1.3
143.03358	0.7
145.02849	0.7
149.61775	0.5
151.11140	2.7
153.12756	1.6
161.02339	2.5
161.04471	2.1
161.09624	5.9
162.02684	0.6
163.11197	8.5
171.10170	5.7
179.03430	1.9
179.10684	9.2
180.03775	0.5
181.12267	2.7
185.11739	1.2
187.07655	0.6
197.11761	60.7
198.12050	3.0
201.11295	1.8
205.12231	0.8
207.10201	23.2
208.10497	1.2
209.11777	3.0
223.09703	1.4
223.13380	4.5
225.11278	13.9
226.11572	1.1
230.09225	0.7
235.08226	1.1
235.13429	1.1
237.11345	0.8
239.12752	0.9
241.10796	3.3
253.09267	3.8
260.13608	0.6
405.22714	0.8
459.18567	0.8
461.20526	2.5
463.35449	0.6
477.19852	2.8
508.10614	0.5
607.37805	0.5
623.30353	0.9
625.39063	1.1
626.38538	0.5
641.31830	1.4
667.30090	2.5
685.30750	100.0
686.31128	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	685.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.9
57.03317	1.4
58.00450	0.7
59.01249	16.2
61.98703	6.0
68.99705	0.9
69.03321	0.7
69.11337	0.5
69.39038	3.3
71.01254	22.8
72.99159	2.6
73.02815	5.5
75.00745	1.6
83.01253	3.6
83.04919	0.6
85.02821	10.6
87.00758	2.2
89.02319	8.9
91.03892	2.1
93.03342	3.0
95.01260	2.2
96.95898	1.0
97.02808	1.1
99.00751	2.5
101.02319	15.0
108.02043	0.6
109.02837	1.0
109.06393	0.5
111.00755	1.3
113.02335	12.2
117.03316	1.3
119.03369	2.5
119.04861	1.4
121.02809	0.9
123.04388	1.8
124.01570	0.8
125.02320	1.1
127.11082	0.6
132.02058	0.7
133.02853	7.7
134.03661	6.6
135.04422	8.1
137.02344	8.8
141.12730	0.8
143.03401	1.5
145.02834	4.0
146.03255	0.7
147.04486	0.6
149.02324	1.6
149.05956	2.5
150.03078	1.3
151.03880	0.9
152.01073	0.7
153.01889	0.6
159.02895	0.9
160.01543	1.9
161.02371	16.9
161.04430	11.3
162.02705	1.5
163.03923	1.8
165.05461	1.3
167.03372	1.1
171.13647	0.5
174.03062	0.6
175.03912	2.1
176.04308	0.7
177.01837	1.0
178.02629	3.5
179.03418	13.4
179.05548	1.1
180.03786	1.3
187.07535	0.7
193.01343	0.6
193.04988	10.5
194.05377	1.1
213.16479	0.5
229.08763	0.7
230.09303	1.2
241.21721	0.6
253.09262	63.2
254.09605	2.7
269.21265	2.3
281.06577	0.6
285.20773	0.9
287.22293	27.0
288.22607	1.9
307.08243	1.3
308.08746	0.6
327.21674	0.8
347.16806	1.6
351.05853	0.8
431.26483	10.6
432.26889	1.1
449.27548	100.0
450.21594	0.7
450.27817	11.2
487.14600	1.0
522.20392	0.7
523.20929	2.1
544.23578	0.6
556.58099	0.6
593.31812	5.3
594.31403	0.7
611.32745	1.5
645.18781	0.6
685.25061	4.7
685.35773	4.7
686.38440	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32875	1.0
57.03323	2.3
59.01245	16.0
61.98702	16.6
63.61124	1.2
71.01251	22.8
71.04903	1.3
71.52050	1.4
72.99171	1.5
73.02819	2.5
83.01265	1.9
83.04884	1.1
85.02818	19.4
86.03175	1.1
86.86363	1.1
87.00742	2.6
89.02314	9.1
89.22239	0.9
91.30871	1.2
95.01283	7.5
95.04906	1.3
97.02842	1.5
99.00774	1.4
101.02329	6.5
102.85629	1.1
108.47948	1.0
109.02850	1.3
109.06494	2.7
113.02335	32.3
119.03367	1.5
119.04890	1.4
121.02818	1.5
123.04382	1.5
132.02043	1.5
133.02876	8.5
134.03667	1.6
135.04442	13.4
136.01573	10.6
137.02336	2.7
143.03398	2.6
145.02835	2.8
146.03590	1.2
147.04350	2.0
149.02322	1.5
150.03136	2.0
151.03906	12.6
152.99544	1.8
159.04445	2.0
161.02354	17.8
161.04439	8.6
162.02765	2.0
163.03893	1.9
169.12206	1.3
171.10178	1.9
172.05103	1.3
173.06017	3.2
175.07556	5.1
177.01883	1.4
179.03435	18.1
179.05046	1.4
179.05618	1.2
180.03734	2.4
183.10193	3.3
187.03979	1.6
187.07599	4.4
197.02144	8.6
197.11761	3.3
200.04790	2.2
201.05476	9.8
201.09224	2.5
202.06273	1.6
203.07014	2.2
207.10226	5.5
209.11813	4.2
211.07561	1.3
213.05634	1.2
215.07082	2.5
221.11963	1.1
225.11130	5.2
226.06226	1.2
227.06947	1.7
229.08650	8.3
230.09431	24.7
231.09859	3.2
247.09796	3.0
253.09142	1.5
255.06544	3.4
257.24603	1.2
262.12073	7.9
274.99268	1.2
352.59216	1.1
357.13428	8.9
378.11383	1.4
467.31839	1.2
469.33057	8.7
469.66351	1.2
487.34314	100.0
488.34525	13.8
555.20752	1.9
556.22040	2.7
562.97205	1.2
667.30890	1.5
685.38928	21.1
686.37213	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	685.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70139	0.9
52.43558	0.7
59.01249	7.8
61.98695	8.3
69.29543	7.2
71.01259	9.4
72.01594	0.7
72.99201	0.8
73.02813	0.9
78.95779	1.1
83.04913	1.2
85.02816	8.8
87.00763	1.2
89.02297	4.2
93.03322	1.3
95.01256	3.2
101.02330	2.9
107.05051	0.8
109.02885	1.1
113.02330	15.1
117.03398	1.0
119.03393	1.4
121.02809	1.2
133.02858	6.6
134.03737	0.9
135.04419	14.2
136.04733	1.2
137.02332	2.9
143.03394	1.2
145.14189	0.9
147.04445	1.3
160.01483	0.9
161.02371	13.4
161.04433	5.7
161.05629	0.9
162.02725	1.0
163.03864	1.7
173.06021	0.9
175.03902	1.1
175.07521	2.0
179.03430	23.1
180.03775	1.5
187.07530	2.4
197.00795	0.8
197.02190	8.0
200.04724	1.1
201.05521	4.2
202.06165	1.2
203.07071	1.5
207.10234	0.9
209.11710	1.9
214.06248	1.0
225.11214	1.0
229.08690	3.1
230.09453	10.8
231.09883	1.6
236.54639	0.8
253.09241	1.0
255.03000	1.0
255.06592	1.5
256.03769	1.1
262.12039	2.8
265.04715	1.0
271.05939	1.0
274.53879	0.8
392.61166	0.9
393.31842	1.2
423.32593	2.3
441.33524	1.0
469.33035	5.8
487.34296	100.0
488.34741	14.8
555.20813	1.1
556.22028	1.6
685.37469	26.5
686.26843	1.1
686.37872	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	687.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	5.0
59.01247	21.2
65.00185	10.9
66.00849	4.3
71.00299	9.5
71.01257	36.5
72.59299	3.9
72.99174	34.6
75.00747	20.8
83.01247	14.1
85.02834	38.8
87.00733	14.3
89.02318	12.5
95.01262	11.1
97.09790	4.1
99.00783	19.8
101.02306	15.0
101.88800	3.8
103.00240	12.4
107.01246	6.9
109.02831	13.9
111.00755	26.4
113.02325	55.4
115.00251	6.5
115.06899	4.7
123.00719	5.6
125.02314	17.1
129.01851	5.2
131.03416	5.3
133.02846	9.6
136.98700	5.4
137.02341	13.9
139.00290	29.6
141.01877	9.0
147.00703	4.0
149.02328	8.3
151.00301	25.5
151.03856	4.8
152.00989	4.9
153.01840	14.0
161.02238	7.1
163.00272	17.0
164.98192	6.8
165.01845	7.8
166.99722	11.5
169.01256	8.1
175.02429	9.4
177.01840	8.2
178.99785	17.2
181.01353	10.7
190.99788	7.1
193.01367	11.0
193.03468	39.0
194.99330	5.7
206.99213	4.2
209.00841	17.5
225.00227	5.2
227.03448	6.7
243.02939	5.7
245.04436	5.9
255.02881	6.6
265.62521	4.0
269.04587	6.3
271.02515	14.1
273.04086	8.4
289.03259	7.9
299.01947	24.6
300.02722	41.9
301.03503	46.5
317.02997	82.5
318.03571	11.5
335.03662	9.4
336.05014	5.1
351.01678	7.9
351.05704	100.0
352.06042	7.7
533.08063	4.8
687.10565	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	687.105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.9
57.03324	8.3
59.01255	23.5
63.02250	4.8
65.00203	11.1
65.34093	3.4
66.61475	3.2
67.87237	3.1
71.01260	48.1
72.99183	34.7
73.02826	4.9
75.00740	18.0
83.01261	13.2
85.02825	53.2
87.00757	12.0
89.02339	9.7
92.80249	3.1
95.01252	17.1
99.00756	23.6
101.02333	9.9
103.00266	8.9
107.01289	15.5
109.02831	14.6
111.00765	14.3
113.02337	64.2
123.00764	8.0
125.02356	17.4
133.02861	14.1
135.04402	4.6
137.02338	14.0
139.00288	22.6
149.02316	10.5
151.00269	32.5
153.01845	21.0
161.02318	7.2
163.00302	22.3
165.01854	14.2
166.99838	5.0
169.01361	13.5
175.02391	13.1
175.03831	6.4
177.01872	8.9
178.99815	19.1
181.01292	13.5
182.02092	4.6
190.99796	8.8
193.01408	9.8
193.03471	33.4
196.93425	3.1
199.03981	8.1
201.01981	4.4
203.03410	6.4
206.99298	7.3
208.00005	5.2
209.00777	18.2
225.00400	6.4
227.03479	9.2
229.04880	3.8
231.02983	9.6
231.06650	3.5
235.04407	4.2
243.02884	6.7
245.04419	5.4
255.03024	15.2
257.04523	5.7
271.02509	30.1
272.03165	5.2
273.04047	6.0
282.83981	3.6
283.02490	9.3
284.03183	16.0
285.03848	4.8
299.01959	49.9
300.02728	57.3
301.03531	91.6
302.03909	6.5
317.03012	55.0
318.03485	10.5
320.73959	3.9
335.03970	6.9
351.05725	100.0
351.10117	5.1
352.05841	6.0
652.09326	4.9
653.09326	4.8
687.10083	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	687.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	9.3
61.98708	8.5
70.99718	1.7
71.01255	12.2
72.99161	3.7
73.02795	2.1
75.00722	1.8
79.34518	1.4
83.01262	2.1
85.02805	5.5
87.00723	1.6
88.37416	1.2
89.02297	5.2
93.03356	8.1
94.75467	1.3
95.01265	2.2
97.11316	1.3
98.19807	2.1
99.00754	1.4
99.92460	1.4
101.02288	5.9
108.02058	72.3
109.02866	26.8
113.02338	6.6
115.00267	3.3
116.92747	17.1
117.01830	2.2
117.03399	1.8
117.92789	1.8
119.03401	2.0
119.04876	1.5
121.02840	6.5
122.03617	4.2
123.04409	10.2
125.02288	2.4
132.02042	3.7
133.01372	7.9
133.02844	13.4
134.03653	7.1
135.04437	16.1
136.01512	5.8
137.02365	15.8
145.02840	4.6
149.02376	6.6
149.05963	3.7
150.01978	1.9
150.03130	33.1
151.03961	16.0
152.01064	84.7
153.01857	22.9
153.05389	3.8
160.01581	23.1
161.02373	26.8
162.02742	2.9
163.03882	3.4
164.04733	2.2
165.01779	3.4
165.05452	22.5
166.02596	6.0
167.03410	2.1
174.89490	1.3
175.03929	28.7
177.01825	3.0
178.02589	2.3
179.03448	12.1
179.06905	1.9
180.04025	4.3
181.01286	4.0
181.04962	4.4
187.07745	1.5
193.04909	4.8
195.06520	2.6
197.04442	2.2
217.67406	1.4
242.80318	1.5
280.43777	1.7
281.43579	1.8
315.07217	4.1
323.07828	1.9
337.09161	4.7
489.10147	5.7
490.11154	23.4
491.11749	10.2
505.13416	3.3
507.18677	1.9
545.12805	1.9
625.21277	1.7
669.18439	3.2
687.19122	100.0
688.19678	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	687.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	1.2
59.01253	31.9
70.33449	0.8
71.01254	18.9
72.99183	1.4
83.01282	1.1
85.02832	3.2
87.00748	1.2
89.02325	16.8
91.15301	0.8
93.06974	2.3
95.01266	1.4
101.02322	6.8
106.04131	5.5
106.94100	0.9
109.06507	1.4
109.95647	0.8
110.51321	0.9
112.29033	0.8
113.02323	5.6
119.03410	6.0
119.04928	3.5
121.02898	1.2
121.06483	59.3
122.06829	2.5
131.03426	0.9
135.04404	1.2
139.07561	1.0
143.03432	1.0
147.04425	0.8
161.04474	1.9
165.05482	100.0
166.05846	3.8
179.05589	4.8
269.94467	1.1
345.11920	56.2
346.05630	1.2
346.12241	4.2
402.21021	1.0
428.94543	0.9
584.43646	1.1
628.33673	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52481	0.4
53.54683	0.5
57.03323	2.0
59.01249	14.0
59.60686	0.5
61.98698	3.5
66.25507	0.5
67.16398	0.6
68.16643	0.5
68.99686	2.3
71.01256	14.3
72.99178	1.1
73.02818	1.7
78.95804	0.6
81.03328	0.8
83.01259	1.0
83.04929	1.0
84.02065	0.8
85.02821	11.5
87.00746	1.7
89.02319	7.3
95.01269	5.8
97.02829	1.1
99.00766	1.3
101.02331	4.4
101.23713	0.5
103.03854	0.5
109.02850	1.9
109.06492	2.6
110.03619	0.7
113.02331	21.9
114.02686	0.5
119.03400	1.4
125.02342	0.5
125.09639	0.8
133.02866	3.2
134.03622	1.6
135.04417	1.6
135.08078	0.9
137.02319	1.6
139.00308	0.5
143.03403	1.3
148.45250	0.5
158.03662	1.1
159.04411	3.2
160.01509	0.6
161.02379	5.0
161.04489	3.9
163.11205	2.1
171.04414	0.9
171.10181	5.9
172.05220	12.6
173.06007	3.4
174.06778	0.9
175.03914	1.6
178.02490	1.3
179.03423	1.5
179.05617	0.6
179.10745	0.6
181.12166	0.8
183.04483	5.2
185.06055	2.0
186.03172	0.7
186.06798	0.7
187.04103	3.3
187.07570	79.0
188.07896	5.8
189.01881	0.9
189.05498	8.4
189.09215	0.9
197.05980	0.8
197.11778	5.1
199.03934	8.4
199.13342	0.8
200.04718	7.1
201.05447	3.7
201.09151	1.1
201.11281	1.6
202.06219	1.5
203.03438	1.0
203.07066	0.7
204.04201	2.2
205.08612	0.7
207.10199	7.8
208.10661	0.6
209.11809	8.5
210.11974	0.5
211.03935	1.9
211.07582	2.1
213.05519	1.6
213.09187	9.9
214.06351	1.5
215.07076	28.2
216.07430	2.0
223.09721	1.5
225.11328	5.9
227.03448	11.4
227.12794	2.5
228.04182	6.1
229.08604	4.6
231.06593	10.6
231.10179	1.4
232.03752	1.0
232.06830	0.8
235.08226	0.6
239.07103	0.6
243.12354	1.2
245.04477	1.2
253.09358	1.8
257.08173	100.0
258.08530	7.4
275.09091	0.6
301.88562	0.7
333.46191	0.5
429.17477	3.3
445.15192	0.9
455.84906	0.6
460.90714	0.5
461.20279	1.4
487.34369	3.4
488.34720	1.5
489.35059	0.7
568.88232	0.6
590.20087	3.2
615.30450	1.0
643.23932	42.3
644.24243	8.6
651.30096	0.7
651.39581	0.7
669.31396	2.0
687.26813	16.0
687.34454	4.8
688.27368	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	687.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65206	1.5
56.87420	1.2
57.03318	2.1
58.00474	1.5
59.01255	28.6
61.98698	10.4
68.99697	2.0
69.03320	2.5
71.01255	24.7
72.99172	3.8
73.02821	2.9
78.95754	1.4
81.03352	2.1
83.01260	3.0
83.04905	4.2
85.02829	19.0
87.00757	4.7
89.02315	13.6
95.01257	7.9
97.02843	2.7
99.00774	3.5
101.02319	11.0
109.02852	2.4
109.06483	5.4
111.04351	1.8
111.08039	1.2
113.02334	40.6
114.02715	2.1
119.03388	2.8
125.09620	4.1
128.13495	1.1
130.79109	1.3
133.02846	5.2
134.03674	2.0
135.04410	3.6
135.08064	1.5
137.02359	4.3
143.03412	3.0
150.05489	1.3
151.03973	1.5
151.07526	1.2
151.11235	1.9
158.03546	1.2
159.04436	4.2
160.01546	2.1
161.02405	6.9
161.04477	11.1
161.09639	3.0
163.06082	1.3
163.11238	5.5
165.12965	1.1
171.10188	16.7
172.05202	14.2
173.05966	4.7
174.03137	3.7
174.06706	1.1
175.03932	2.6
178.02695	1.8
179.03407	3.2
179.05566	1.4
179.10703	3.6
181.12276	4.4
183.04482	5.8
185.02368	1.2
185.06020	2.7
186.03210	1.7
187.03979	4.8
187.07571	71.8
188.07959	4.6
189.05525	6.5
197.06154	1.8
197.11772	27.7
198.12161	1.4
199.03952	7.1
199.13347	2.0
200.04752	7.4
201.05492	3.6
201.09187	2.0
201.11200	2.2
202.06239	1.7
203.03386	1.5
203.10841	1.2
204.04088	1.7
205.08707	2.1
207.10199	16.7
209.11772	30.2
210.12148	1.9
211.03804	1.4
211.07466	1.6
213.05545	2.7
213.09157	12.9
213.11176	2.1
214.09540	1.3
215.07083	52.1
216.07370	3.9
223.09705	5.0
225.11299	13.3
227.03387	7.4
227.12801	4.8
228.04211	6.8
229.08643	7.5
230.09203	1.4
231.06601	5.5
231.10229	4.8
235.08185	1.7
239.07089	2.6
241.10774	1.8
243.12366	2.8
253.09319	5.1
257.08176	100.0
258.08542	7.2
275.09180	2.7
277.09824	1.2
311.46289	1.3
322.37708	1.2
429.17804	5.1
445.15259	1.9
461.20172	2.5
476.94550	1.3
477.19739	1.4
533.59814	1.2
590.20105	3.7
615.30316	2.1
643.23950	36.8
644.24805	6.2
651.30225	2.9
655.20923	4.0
669.30872	4.7
687.32104	39.9
688.34204	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	687.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87899	0.4
55.01740	1.0
57.03287	2.1
58.00432	0.9
59.01249	15.6
61.98703	3.6
65.03821	0.6
68.99648	1.6
69.03327	4.7
71.01251	17.9
71.04855	2.0
71.51438	0.6
72.99139	1.5
73.02837	2.4
78.95779	2.3
79.68574	0.4
80.02504	1.8
81.03298	1.7
83.01226	2.0
83.04893	7.3
84.02006	1.4
85.02367	0.7
85.02827	10.6
87.00723	2.1
89.02319	8.9
93.03305	0.9
95.01264	3.6
95.04863	1.7
97.02811	1.2
97.06454	0.9
99.00719	1.9
99.01324	0.5
99.04331	0.7
101.01712	0.7
101.02327	7.8
107.04922	0.7
109.02830	1.1
109.06479	2.8
111.04369	1.0
113.02332	19.4
114.02598	0.8
119.03343	1.9
121.02749	0.7
123.07988	1.7
124.01521	0.5
125.02247	0.9
125.05933	0.9
125.09607	3.7
127.03912	0.5
131.03355	0.5
132.01996	0.6
133.02818	1.9
134.03610	0.7
135.04391	1.7
135.07994	1.6
137.02309	1.5
137.09578	0.5
139.03931	0.6
143.03378	1.3
145.02843	0.8
151.07556	0.5
151.11169	2.6
153.12701	1.0
158.03735	1.1
159.04414	2.8
160.01616	0.6
161.02335	3.3
161.04471	4.3
161.09628	4.9
163.06042	0.8
163.11212	5.3
164.11716	0.5
165.12784	3.1
169.12175	0.5
171.04503	0.7
171.10161	5.9
172.05211	9.4
173.05951	3.1
174.06703	0.8
175.03833	0.9
175.07529	0.6
178.02562	0.8
179.03372	1.5
179.05452	0.7
179.10718	8.7
181.12296	2.5
183.04422	4.1
184.05174	0.9
185.02338	0.9
185.05957	1.1
185.11790	0.6
186.03096	1.3
186.06741	1.2
187.04070	2.5
187.07571	59.5
188.07904	5.0
189.01846	0.6
189.05484	5.8
189.09140	0.7
190.05855	0.6
191.10684	1.1
191.12485	0.5
197.11766	53.5
198.12093	2.9
199.03914	5.8
199.13304	1.0
200.04720	5.7
201.05286	2.1
201.09096	1.3
201.11224	0.7
202.06213	1.1
204.04164	1.6
205.08588	1.1
207.10213	6.7
209.11769	74.1
210.12132	5.2
211.03920	1.1
211.07568	1.2
213.05524	1.7
213.09123	7.1
214.06168	1.2
214.09425	0.5
215.07079	24.8
216.07458	1.8
223.09671	2.7
225.11285	5.9
227.03439	7.0
227.07100	1.3
227.12840	7.0
228.04207	5.2
228.07655	0.6
229.08647	4.2
230.09254	0.7
231.06558	6.2
231.10144	1.7
232.03691	0.6
232.06953	0.9
235.08121	1.4
239.07100	0.8
241.10808	3.4
243.12338	1.2
245.04515	1.2
246.05286	0.6
253.09268	4.4
257.08167	71.3
258.08459	6.0
271.06085	1.0
275.09293	0.9
389.23746	0.7
407.19427	0.6
407.24606	0.6
429.17789	1.9
459.18668	1.0
461.20081	0.6
477.19818	2.0
497.19247	0.7
525.27673	0.8
590.20673	1.4
591.20477	0.6
614.36780	1.1
643.23944	27.2
644.24371	6.2
655.20599	0.7
669.31860	1.7
687.32837	100.0
688.33197	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	687.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86798	0.6
57.03336	0.7
58.00468	0.8
59.01243	5.7
60.69624	0.9
61.98708	7.3
68.99689	4.3
69.03324	1.4
70.69389	0.7
71.01251	12.9
72.99162	2.1
73.02821	1.1
75.00771	0.7
78.95779	3.0
80.02549	1.7
81.03340	2.7
83.01254	0.8
83.04898	6.2
83.46890	0.7
84.02029	1.2
85.02818	1.7
87.00744	1.8
88.80188	0.7
89.02321	2.3
95.04897	1.8
97.02824	2.8
97.06443	1.1
99.00768	0.8
101.02331	2.9
107.04896	1.0
109.02835	1.0
109.06470	3.1
111.04380	4.9
111.08027	0.8
113.02333	3.1
116.12305	0.7
121.02790	0.9
123.04438	1.1
123.08025	0.9
125.05972	1.4
125.09603	3.9
135.08058	1.7
137.09694	0.7
143.03445	0.8
149.09602	1.0
151.11192	1.8
152.99490	0.8
153.09135	1.4
161.04472	1.8
161.09616	4.4
161.77882	0.7
163.11203	6.0
165.12761	2.5
167.10696	0.7
169.08659	0.9
171.10191	36.3
172.10414	1.0
177.09111	2.7
179.10669	4.8
180.62817	0.8
181.12347	1.0
185.11746	1.6
187.09602	1.2
191.10646	0.7
195.10229	0.8
197.11786	1.8
199.09576	0.9
201.11237	1.9
205.08652	10.7
207.10208	6.9
209.11775	100.0
210.12138	5.3
213.11301	3.0
223.09735	24.5
224.10011	1.4
225.11269	5.2
227.12852	15.2
228.13322	1.1
235.08162	2.9
235.13631	0.8
239.12910	0.8
241.10751	2.9
253.09239	8.2
256.04752	0.8
293.21133	1.0
407.18988	1.2
415.21167	1.1
445.20862	1.7
459.18579	4.3
463.06454	0.8
477.19818	1.9
495.17130	1.3
496.43988	0.8
551.19513	2.9
627.21027	8.6
628.21680	1.7
643.29962	1.1
651.30188	3.1
669.31659	7.3
670.32135	1.8
687.32367	17.3
688.32513	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	687.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64936	1.6
57.19720	2.1
59.01237	2.3
64.64243	1.7
78.88965	1.9
78.95782	30.8
87.78329	1.7
96.96823	2.0
108.15429	1.9
119.05751	1.8
151.43517	1.7
152.99492	46.0
167.10638	3.4
171.00548	2.9
179.14262	3.6
190.67412	2.2
195.13916	9.5
205.12309	10.4
223.13342	62.0
224.13683	5.2
227.03215	5.0
229.39278	1.9
253.21686	24.1
254.21902	2.9
255.23378	2.1
334.44424	2.2
341.22314	1.9
359.12460	4.6
433.16064	3.6
451.17377	100.0
452.17685	8.1
467.83517	1.9
483.27225	2.2
571.28345	2.0
687.38666	30.1
688.38879	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	689.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12186	0.6
55.01759	3.5
56.87540	0.6
57.03328	3.3
58.00474	1.0
59.01249	19.9
61.98703	3.0
67.11879	0.6
69.46771	0.7
69.60941	0.7
71.01259	20.7
72.99183	1.6
73.02818	15.3
83.01258	40.6
85.02831	7.7
89.02312	7.8
95.01286	1.7
99.00760	6.5
101.02325	69.1
102.02702	1.8
102.84134	0.8
111.00776	0.9
113.02325	8.0
117.03342	1.3
119.03409	2.9
119.04915	12.6
120.05268	1.0
125.02306	1.2
127.00269	15.6
133.02814	4.3
135.04425	2.3
137.02315	1.0
145.02892	2.6
160.01590	1.9
161.02362	7.8
161.04491	1.1
162.02716	1.8
163.03915	22.8
164.04312	0.9
173.02397	0.8
174.03264	1.0
175.03951	2.4
179.03416	2.3
193.05057	1.2
209.11847	1.3
267.49445	0.7
273.07864	1.2
399.23846	1.3
511.25839	2.3
527.19275	1.1
561.29150	7.6
562.29675	1.2
651.23737	1.8
689.30511	100.0
690.30933	20.2
717.54321	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.8
57.03316	1.8
58.00456	1.0
59.01251	25.1
61.98701	1.2
65.03882	0.4
69.03326	1.4
71.01256	17.9
71.28819	0.4
72.99195	1.8
73.02821	2.9
75.00750	0.7
78.95770	1.7
79.05814	0.4
81.03323	0.5
83.01254	1.9
83.04891	1.4
85.02824	4.6
86.03133	0.4
87.00751	3.5
89.02319	14.8
93.03330	0.6
95.01254	1.5
95.04902	1.0
97.02840	2.8
97.06456	0.7
99.00756	1.8
101.02330	14.6
109.02822	0.6
109.06457	1.2
111.04415	0.7
111.08048	8.4
113.02330	7.9
115.03915	0.4
119.03390	5.4
120.71132	0.4
121.02834	0.4
125.02347	4.7
127.03874	0.7
131.03378	0.6
132.02014	0.4
133.02844	2.7
133.04955	0.7
134.03596	0.7
135.04417	3.7
137.02374	0.5
137.09615	0.8
143.03424	2.8
147.04428	0.6
149.04507	0.6
149.09621	0.4
152.99527	0.8
154.66922	0.4
156.03522	0.4
161.02364	5.9
161.04420	3.2
162.02744	1.0
163.11163	0.6
167.10703	2.4
169.12325	0.7
171.10197	2.3
177.12779	1.7
178.02600	0.7
179.03433	4.6
179.05565	3.8
179.10677	1.8
183.13773	0.5
195.13860	5.7
197.11870	1.1
201.11230	0.6
203.14328	0.8
207.10262	0.9
209.11784	3.4
210.12158	0.5
211.13347	2.3
221.06618	1.3
222.88586	0.4
225.11348	0.8
227.12830	0.7
229.14517	0.5
230.75180	0.5
235.08188	5.7
247.20689	2.1
249.11835	0.5
253.09189	2.0
263.07791	0.6
273.18607	1.2
277.09091	0.6
287.07675	1.0
291.19672	100.0
292.19986	8.9
305.08783	1.4
309.20990	0.5
323.09863	0.6
327.21777	1.5
379.12540	0.5
397.13504	39.3
398.13931	3.1
415.14584	22.2
416.15063	2.3
446.15317	0.5
447.15768	0.6
485.32330	0.4
534.20020	0.7
585.39960	0.5
592.20410	2.2
611.38043	1.2
621.18109	0.7
688.80890	0.6
689.33575	5.3
690.33521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68680	0.5
55.01759	0.6
57.03324	1.7
58.00460	0.6
59.01250	24.3
60.61538	0.6
61.52399	0.5
61.98693	3.5
69.03317	1.3
71.01253	20.9
71.50603	0.6
72.99167	1.4
73.02822	3.5
74.51780	0.6
78.95782	1.9
81.03324	0.9
83.01253	2.4
83.04885	2.2
84.21565	0.7
85.02824	5.4
85.99980	0.6
87.00740	3.8
89.02319	16.0
93.03304	1.1
94.43384	0.7
95.01247	1.7
95.04897	1.3
97.02845	3.0
97.06486	0.8
99.00743	1.2
101.02322	14.6
101.03001	0.8
101.87147	0.5
109.06492	1.4
111.04396	1.5
111.08042	9.5
112.09747	0.7
113.02323	7.7
113.09615	0.9
119.03378	5.0
121.02859	0.7
123.04371	0.7
125.02337	4.1
127.03918	1.0
133.02869	4.2
134.03670	0.8
135.04407	4.3
137.02339	1.9
137.09570	0.7
139.03903	1.1
143.03387	2.4
152.99467	1.4
153.65445	0.6
161.02368	8.1
161.04402	3.1
162.02661	1.0
163.11244	0.7
167.10666	1.9
169.12180	1.2
171.10188	4.3
173.05893	0.6
177.12755	2.4
178.02568	1.2
179.03419	5.8
179.05513	2.5
179.10641	2.2
180.03693	1.2
183.13817	0.6
195.13817	7.1
196.14113	0.7
197.11792	1.3
201.11234	1.9
207.10205	1.7
209.11749	8.8
210.12117	1.4
211.13400	3.1
221.06622	1.7
225.11307	3.0
227.12851	1.7
235.08194	5.5
247.20663	2.7
253.09396	3.2
263.07635	0.7
273.18661	1.4
291.19656	100.0
292.19995	8.7
305.08688	1.1
323.09686	1.2
327.21667	2.0
397.13495	40.6
398.13766	2.7
415.14545	22.1
416.15213	2.7
492.65646	0.6
591.20459	1.0
592.20642	2.7
611.38000	2.0
621.17896	0.9
657.30658	1.2
689.33459	7.2
690.33167	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09353	0.8
50.75082	0.8
57.03313	1.2
59.01253	6.8
61.98703	7.8
71.01254	40.4
72.99214	1.0
73.02814	2.4
75.77455	1.0
78.95314	1.7
78.95777	35.8
80.02574	1.5
81.03315	1.8
83.01248	0.9
83.04894	5.7
85.02811	1.3
87.00734	1.3
89.02303	2.4
93.00858	0.7
93.03345	1.3
95.01246	1.3
95.04893	1.0
96.96820	2.3
97.02836	1.9
97.06487	1.1
99.00749	2.0
101.02323	2.9
109.06459	4.9
111.04352	1.0
113.02316	2.5
125.05998	1.2
125.09599	2.7
127.11178	1.3
135.08031	1.4
139.07565	1.4
152.99486	20.2
155.10698	2.0
157.74030	0.7
161.04483	1.6
161.09622	1.0
163.11189	9.8
165.12770	2.3
171.10176	28.8
172.10565	0.9
181.12236	3.2
185.11697	2.4
189.09106	0.9
197.11711	1.0
199.13387	1.8
201.11256	15.7
207.10228	15.0
209.11772	100.0
210.12128	4.8
215.12773	2.2
222.04939	0.8
223.13368	1.8
225.11292	23.6
227.12834	11.7
235.08145	2.4
243.12325	2.3
251.12831	2.2
253.09303	7.8
255.23184	1.3
293.21176	5.1
348.38837	0.9
363.12198	4.8
381.13287	1.2
395.14764	3.6
429.20450	3.3
447.21524	1.6
453.15280	1.0
461.20242	3.8
479.20898	1.1
653.31732	1.5
657.34198	13.8
658.34650	2.8
671.32556	3.2
689.35553	14.0
690.35449	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	689.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.5
57.03322	2.0
59.01254	14.0
61.98700	9.8
70.67203	1.4
70.67552	1.7
71.01245	14.9
71.04901	2.6
72.99220	1.0
73.02824	1.5
80.02549	1.4
81.03338	1.2
83.01267	1.6
83.04913	6.3
85.02820	5.0
87.00745	2.8
88.24178	1.0
89.02338	6.8
94.89053	1.0
95.01286	2.8
95.04900	2.2
96.95879	1.7
97.02835	4.6
97.06470	3.8
99.00764	17.3
101.02325	8.2
104.40930	0.9
109.06474	2.9
111.00848	1.0
113.02332	11.5
119.03366	1.9
119.04960	1.2
121.10120	1.2
123.08071	2.5
125.09618	10.1
132.02061	1.1
133.02849	4.5
135.04469	3.3
135.08066	2.1
137.02327	2.1
142.02599	1.8
143.03459	1.8
145.02882	2.9
149.44797	1.0
150.03166	1.8
159.04315	1.2
161.02371	16.3
161.04466	4.1
162.04588	1.1
163.03896	1.3
163.11214	15.1
165.12804	2.4
167.71849	1.0
171.10193	26.5
175.07553	1.2
179.03468	4.5
181.12268	22.3
185.11734	2.6
187.07533	1.2
189.09227	1.5
197.11806	1.9
199.13339	10.6
200.13620	1.1
201.05612	1.6
201.09584	1.0
201.11317	6.9
202.06487	1.1
207.10204	30.1
208.10580	2.4
209.11777	85.2
210.12148	6.5
225.11287	51.0
226.11678	4.4
227.12868	12.9
228.13382	1.1
229.08656	1.6
230.09554	5.5
235.08220	2.9
243.12361	24.9
244.12756	1.4
253.09259	9.3
291.19635	12.2
329.13965	2.8
397.13474	5.7
415.14658	3.2
440.86801	1.1
443.19119	1.2
461.20273	5.7
479.21417	12.1
480.22238	1.2
556.21216	1.9
653.30554	1.5
671.32562	8.1
672.32855	1.5
689.33978	100.0
690.23224	2.3
690.34204	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	689.367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73571	0.8
59.01255	4.4
59.35625	0.8
69.03352	0.9
69.87267	2.5
76.98399	0.7
78.95779	38.2
80.02577	0.9
81.03368	2.5
83.04923	3.4
95.04939	1.2
96.96850	4.1
97.02849	5.0
109.06478	31.7
110.06840	1.5
116.92778	0.9
121.06525	2.1
135.08028	4.1
136.05231	1.0
142.02650	2.1
150.97963	1.6
152.99493	51.8
153.99858	1.1
161.09645	2.3
163.11192	16.8
164.11563	0.9
170.99254	0.8
171.00529	4.8
179.10555	1.0
181.12265	6.0
189.09138	1.1
207.10211	43.6
208.10617	2.4
209.11806	1.6
225.11269	26.1
226.11685	2.1
227.03229	3.6
245.04288	1.5
253.21707	22.5
254.22156	2.0
279.23169	0.8
361.10645	8.1
379.11237	1.0
435.14282	7.1
453.15305	100.0
454.15634	9.8
483.26755	1.0
523.19690	0.8
563.27576	0.8
576.60425	0.9
576.69653	0.8
689.36682	44.1
690.37091	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	689.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02451	0.7
58.42106	0.6
59.01257	4.3
68.74487	0.5
78.95777	31.6
80.02581	1.0
81.03375	2.3
83.04945	2.5
84.02076	0.7
85.02873	0.6
96.96906	2.6
97.02833	4.4
98.20564	1.5
99.00771	0.9
107.04952	1.1
109.06479	28.1
110.03683	1.1
110.06863	1.2
121.06550	1.8
135.08142	2.3
142.02698	1.8
150.97958	0.8
151.27655	0.6
152.99493	46.6
153.99866	0.6
161.09683	1.3
163.11200	12.8
164.11554	1.5
171.00574	4.8
181.12253	6.0
182.12593	0.7
197.11746	0.6
207.10204	39.7
208.10629	2.3
225.11288	26.8
225.13556	1.0
226.11736	1.9
227.03169	4.4
245.04259	1.4
253.21703	20.6
254.22098	2.1
255.23184	0.7
279.22943	0.7
361.10541	8.7
387.04138	0.7
435.14215	6.1
453.15308	100.0
454.15631	7.8
544.22473	0.7
689.36633	44.1
690.37024	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.6
59.01250	4.0
61.98704	2.7
67.33615	0.3
71.01254	6.5
73.02818	0.5
83.01273	0.7
85.02825	6.0
89.02316	2.0
95.01288	1.8
99.00769	0.8
101.02331	1.1
105.03327	0.9
107.04944	0.4
107.45666	0.4
108.02022	0.4
109.02829	1.3
113.02332	9.0
113.03075	0.7
117.03360	1.2
119.03409	0.5
121.02875	0.6
123.04401	1.4
132.02042	2.5
133.02853	30.7
134.03668	7.7
135.04417	44.3
136.04712	2.2
137.02368	2.0
138.91628	0.4
139.03888	0.5
145.02965	0.4
148.11377	0.4
149.06004	0.7
153.05527	1.0
160.01636	0.6
161.02354	100.0
162.02689	4.1
175.04033	0.6
177.05553	0.7
178.02585	2.4
179.03419	65.7
180.03766	3.1
189.05501	0.6
199.07472	0.5
201.05383	0.5
201.11185	0.4
203.03491	2.0
203.10606	0.7
207.10121	0.5
208.10504	0.4
209.11778	2.1
210.12125	1.3
221.04475	0.5
225.11230	0.5
227.12851	0.5
230.09468	0.7
233.04549	1.1
245.04561	0.7
251.05682	2.6
287.05701	0.5
305.06635	1.1
323.07788	2.7
325.09232	2.4
487.14606	6.8
488.15085	0.6
529.22839	3.7
622.18848	3.8
623.19397	0.8
691.26025	32.8
692.26447	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	691.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13612	0.3
53.64501	0.4
54.63259	0.4
57.03329	1.0
59.01251	5.4
61.98707	2.3
65.80428	0.3
66.08016	0.3
69.03314	0.4
71.01252	6.8
71.03493	0.3
73.02826	0.5
78.95781	0.7
81.03369	0.3
83.01266	0.6
85.02823	8.3
87.00725	0.8
89.02329	1.6
89.03840	0.4
93.03331	0.4
95.01257	2.8
96.61465	0.4
99.00726	0.5
101.02336	1.5
105.03340	1.2
107.04879	0.4
109.02831	1.9
111.00767	0.5
113.02334	12.2
114.02689	0.4
117.03345	1.5
121.02872	0.8
123.04408	1.2
132.02054	2.3
133.02853	38.1
134.03680	8.2
135.04417	54.5
136.01578	0.6
136.04758	2.0
137.02347	4.1
139.03947	0.8
143.03343	0.4
145.02863	0.5
149.05954	0.4
150.03212	0.6
151.03970	0.5
153.05487	0.7
160.01540	0.7
161.02354	100.0
162.02689	5.4
169.12257	0.9
175.03905	1.1
177.01959	0.4
177.05487	0.8
178.02638	3.7
179.03423	83.6
180.03735	4.1
187.07544	0.4
199.07759	0.4
201.05519	0.8
203.03468	1.9
203.10728	2.0
209.11855	1.9
217.04875	0.5
221.04477	0.7
229.08778	0.4
230.09453	1.4
233.04555	0.6
245.04414	0.5
245.14104	0.4
251.05557	1.3
305.06699	0.6
323.07684	1.6
325.09335	1.5
378.08209	0.4
477.13806	0.5
486.13763	0.6
487.14612	10.5
487.34021	2.4
488.15002	1.2
529.23041	4.5
530.23370	0.7
555.20416	0.4
622.18976	6.6
623.18713	0.7
659.32373	0.7
691.25964	33.0
692.26306	7.4
706.96722	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.7
58.94293	0.3
59.01254	4.5
61.98703	1.7
70.53402	0.4
70.53772	0.9
71.01255	7.7
72.99168	0.4
73.02846	0.4
78.95785	0.4
83.01265	0.4
85.02824	7.9
87.00735	0.6
89.02319	2.3
95.01275	2.5
97.13277	0.3
99.00780	0.4
101.02323	1.6
105.03339	0.7
109.02872	0.3
113.02334	12.0
117.03347	1.0
119.03407	0.6
123.04422	0.6
132.02045	2.3
133.02850	38.2
134.03253	1.0
135.04416	7.5
136.01501	0.3
137.02354	1.4
143.03464	0.4
145.02856	0.4
146.03641	0.5
148.05205	0.4
161.02351	100.0
162.02690	4.5
171.10141	0.3
179.03427	4.7
180.04004	0.4
191.10709	0.7
201.09039	0.3
203.10701	6.4
204.11008	0.6
209.11797	1.5
210.12073	0.5
221.11789	0.6
229.08690	2.3
253.09311	0.7
354.01926	0.4
383.17035	0.6
393.71274	0.4
423.00290	0.3
437.92331	0.3
487.34378	0.4
529.22937	8.9
530.23340	0.9
642.19354	0.4
689.78491	0.3
691.25983	50.1
692.26367	9.3
692.38019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.2
58.00457	0.6
59.01253	7.6
61.98706	5.6
71.01254	9.4
72.99189	1.3
73.02816	0.7
81.03350	0.6
83.04900	3.2
85.02831	6.8
87.00780	0.8
89.02330	4.4
95.01256	2.7
101.02315	3.3
113.02338	13.5
117.03353	0.9
119.03387	1.2
127.11177	0.8
132.02065	2.3
133.02850	34.5
134.03619	0.7
135.04433	7.5
137.02318	1.1
145.02829	1.3
146.63620	0.5
149.04790	0.5
150.05544	0.7
159.04491	1.0
161.02357	100.0
162.02693	3.9
163.11180	2.8
165.12843	1.0
171.10182	1.9
173.06071	0.6
175.03830	0.7
179.03380	5.3
181.12245	0.7
191.10643	1.6
201.11255	13.0
202.11546	0.7
203.10722	4.6
209.11774	71.1
210.12099	4.3
215.07205	0.7
225.11209	0.6
226.11816	0.7
227.12842	11.0
235.08231	1.4
253.09222	5.6
314.04550	0.7
329.06659	1.1
342.78375	0.6
445.20755	1.0
511.25287	1.6
529.22693	6.7
659.22821	0.7
691.25922	44.2
691.36420	2.0
692.26245	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	691.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.3
59.01249	13.5
61.98712	11.4
70.90313	3.1
70.90667	4.9
71.01254	15.5
72.99173	3.0
73.02823	3.3
75.00729	3.1
80.04911	2.6
81.03358	2.0
83.01237	3.3
83.04897	2.1
85.02824	6.3
87.00755	2.6
89.02303	6.7
93.03313	3.3
95.01283	2.1
99.00771	3.5
101.02315	8.9
108.02045	5.0
108.04427	11.0
111.00764	5.5
113.02319	8.5
119.03400	2.4
119.04888	2.5
121.02842	2.0
122.05986	21.7
125.02251	2.3
127.03843	2.4
132.04454	5.1
133.02829	4.7
134.06046	3.0
135.04411	5.5
137.02324	5.2
138.05573	2.4
139.00319	3.4
139.07501	2.3
145.02864	4.6
146.05945	2.9
147.05518	2.2
149.04747	4.3
150.05476	13.8
151.03889	2.8
152.01001	2.5
152.07063	13.4
156.00551	3.9
160.03941	18.3
161.02354	12.6
161.04678	2.7
162.05498	6.5
163.03911	3.8
165.52434	1.9
174.05481	4.0
175.03928	3.3
179.03378	5.2
188.03465	9.9
190.05107	12.0
191.11815	2.4
200.07135	2.5
202.08691	2.8
204.02997	3.3
211.12299	2.1
213.10231	3.4
215.11853	4.1
218.04576	6.1
224.09399	2.7
225.09995	2.9
227.08197	4.9
229.09734	4.5
238.08778	2.6
239.11838	14.1
241.09828	15.5
243.11320	5.5
251.08240	3.9
253.06165	4.6
253.09622	3.9
254.06847	3.6
255.07683	4.5
255.11278	6.8
257.09229	2.6
259.10934	3.0
265.09747	5.6
267.07919	4.4
267.11331	15.2
268.09134	3.6
269.09314	7.5
271.10876	15.3
273.12405	4.0
279.07785	2.9
279.10858	4.8
281.05682	9.0
282.06052	2.6
282.09726	2.6
282.12625	2.8
283.10867	74.3
284.11118	5.7
293.09271	6.2
295.07376	4.8
295.10754	4.2
296.08121	4.8
301.11935	5.8
309.08694	6.6
311.10342	100.0
312.10757	9.7
313.11798	4.9
317.11523	4.6
323.13928	3.1
327.10168	4.1
334.11646	4.0
335.12534	2.6
337.08286	7.8
355.09232	12.1
355.13141	6.0
357.14301	2.4
387.12036	9.2
503.24673	3.2
511.21533	3.7
525.21240	3.3
533.20734	2.8
537.21149	2.8
539.22260	3.0
555.22510	31.0
556.22510	6.0
559.18219	3.7
567.22693	2.4
579.22876	6.8
597.23413	55.9
598.24078	10.2
599.21411	52.7
600.21954	11.7
615.24707	26.6
616.24597	6.1
623.20959	7.4
631.24097	18.2
632.23828	5.3
641.22479	98.2
642.22742	20.0
659.23572	67.8
660.23804	14.4
673.25183	23.6
674.25549	4.7
691.26477	33.6
692.27118	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	691.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36496	2.0
57.03310	3.3
59.01251	33.0
61.98706	28.8
63.63319	2.3
71.01256	25.8
71.51490	3.7
72.99199	2.5
73.02806	4.6
75.00751	16.2
78.95785	24.9
82.30949	2.5
83.01241	3.7
85.02812	6.4
87.00737	5.6
89.02308	17.6
97.02847	4.3
99.00801	2.6
101.02325	15.6
108.16739	2.4
111.08007	3.4
113.02346	14.3
119.03410	5.0
125.02325	3.5
133.02835	5.4
135.04401	4.4
139.60173	2.3
143.03516	2.7
145.02879	5.0
147.04405	3.2
152.99487	10.9
161.02371	7.4
161.04482	6.0
163.11232	4.4
165.12701	3.3
171.10201	7.8
179.03444	6.4
179.05516	4.1
183.10199	2.6
183.13809	10.2
191.10634	3.3
207.10138	3.9
209.11778	100.0
210.12074	10.2
211.13295	7.5
225.11296	3.0
227.12910	14.4
235.08212	9.1
253.09227	7.0
275.20096	5.9
291.19751	14.1
292.19983	10.4
293.21201	69.3
294.21594	5.8
397.13531	24.0
398.13913	6.5
399.14029	3.3
415.14606	15.8
416.14899	4.3
419.25040	2.6
445.20615	8.5
469.33173	6.8
470.33267	3.0
637.32806	4.3
679.09906	3.2
691.32397	23.6
692.32233	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	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.4
59.01256	9.3
61.98707	7.3
63.23232	0.5
64.31112	0.4
71.01251	8.2
71.44218	0.4
72.99191	1.4
73.02828	1.2
75.00756	0.7
78.95783	1.2
80.02545	1.3
80.07847	0.4
81.03329	1.5
83.01245	1.1
83.04901	4.3
84.02043	1.1
84.13097	0.5
85.02834	2.3
87.00759	1.4
89.02311	4.2
94.23663	0.5
95.01302	0.5
95.04903	1.6
97.06469	5.1
98.19779	1.1
99.00740	0.7
101.02321	6.5
113.02348	3.3
113.22142	0.4
119.03386	0.7
124.44082	0.4
125.02335	0.9
125.06071	0.4
125.09658	0.4
127.51077	0.5
129.01834	0.5
133.02861	1.1
135.04482	1.0
143.03355	0.5
145.05006	0.9
151.03888	0.6
151.10051	1.0
151.11205	14.3
152.11530	1.1
152.99477	0.8
161.02350	3.0
161.04500	2.5
163.11194	3.5
164.49902	0.5
165.12753	1.4
169.12259	71.3
170.12540	3.3
171.10199	1.2
179.03407	1.1
179.05545	0.8
183.13768	0.5
191.10736	0.8
195.10164	2.3
197.11787	1.4
209.11772	58.6
210.12100	4.6
213.11273	10.6
213.14825	0.6
223.17049	0.7
227.12874	5.5
235.08202	2.1
253.09315	4.0
275.20239	0.9
286.27277	0.5
293.21265	5.0
397.13498	1.7
415.14801	1.4
424.47461	0.6
431.19156	2.2
446.76944	0.6
449.20300	5.6
450.20380	0.7
487.34311	1.3
641.31805	2.4
659.32825	100.0
660.33142	21.4
691.35663	6.9
692.36029	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.7
57.03313	0.6
58.00472	0.6
59.01252	17.9
60.01574	0.3
61.98690	0.5
69.03326	1.0
71.01253	13.1
71.09205	0.4
72.99174	1.0
73.02815	2.0
75.00782	0.4
78.95779	0.6
79.88929	0.2
81.03326	0.6
83.01263	1.1
85.02823	2.6
87.00748	2.6
89.02319	11.0
91.03899	0.2
91.14717	0.2
95.01260	0.8
97.02817	1.7
99.00751	0.9
101.02326	9.5
101.03003	0.5
111.00764	0.3
111.04441	0.5
113.02332	4.3
115.03920	0.5
119.03406	3.1
125.02348	3.2
131.03409	0.7
143.03404	2.0
157.58293	0.3
161.04451	1.8
167.03387	0.3
177.12859	0.5
179.05530	2.7
179.14304	0.8
181.12242	0.3
183.13788	0.2
188.61427	0.2
195.13847	7.3
196.14438	0.8
205.12306	0.6
205.15935	0.5
209.11765	1.0
211.13292	0.7
217.07097	0.4
221.06615	0.9
223.13371	5.4
224.13734	0.5
228.13570	0.5
235.08188	3.0
236.08556	0.3
239.13104	0.3
253.09250	1.5
253.11569	0.3
256.13193	0.7
263.07654	0.6
275.20123	3.4
276.20441	0.3
287.07669	0.7
291.19547	0.5
293.21216	100.0
294.21548	10.2
305.08749	0.6
323.09854	0.4
379.12213	0.4
397.13486	22.2
398.13852	1.8
415.14572	25.8
416.14917	1.8
469.33511	0.3
654.27441	0.6
691.35120	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14507	0.2
55.01740	0.6
57.03307	0.7
58.00471	0.9
59.01251	17.7
60.01572	0.3
61.98704	0.7
64.13548	0.2
69.03325	0.8
71.01255	13.4
71.38019	0.3
72.01584	0.3
72.99171	1.1
73.02456	0.2
73.02827	2.2
75.00724	0.2
78.51500	0.1
81.03329	0.5
83.01251	1.3
85.02342	0.3
85.02823	3.0
87.00753	2.6
89.02318	11.5
91.63616	0.2
95.01260	0.8
95.04897	0.3
97.02839	2.2
97.06460	0.2
99.00753	0.8
99.04321	0.2
101.02323	10.5
109.02821	0.3
111.00751	0.4
111.04409	0.3
111.08030	0.4
113.02330	4.9
113.09573	0.3
119.03391	3.5
125.02340	3.2
127.07638	0.2
129.01732	0.2
131.03377	0.5
133.04918	0.4
136.05746	0.1
139.03857	0.2
141.01808	0.2
141.09056	0.2
143.03395	1.8
149.04437	0.4
161.04454	1.9
167.03470	0.3
167.10675	0.2
169.04997	0.2
169.12221	0.2
179.05539	2.8
179.14301	0.8
185.04451	0.3
194.43372	0.2
195.13843	7.9
196.14330	1.0
197.15190	0.2
205.12334	0.8
205.15921	0.4
211.13321	0.4
217.07198	0.2
219.05255	0.2
221.06633	1.1
223.13347	5.5
224.13712	0.6
225.14827	0.3
228.13582	0.6
231.21283	0.3
235.08224	3.2
242.07486	0.2
245.06779	0.2
248.57661	0.2
253.09230	0.9
256.13123	0.7
263.07614	0.9
265.21744	0.5
275.20151	4.2
276.20441	0.5
277.09103	0.3
287.07721	0.6
293.21219	100.0
294.21548	10.8
305.08710	1.0
323.09689	0.5
397.13483	20.2
398.13766	2.2
415.14560	25.0
416.14966	2.4
487.34311	0.3
654.27362	0.4
691.35046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70779	0.4
55.93911	0.3
56.95334	0.3
57.03318	0.6
57.17842	0.4
58.00465	0.7
58.14259	0.4
59.01252	6.3
61.98385	0.5
61.98702	5.3
62.42195	0.3
68.19732	0.3
71.00894	0.6
71.01254	6.7
72.99204	0.5
73.02810	1.3
76.48058	0.3
80.02554	0.7
80.11871	0.3
81.03332	0.7
83.01257	1.3
83.04897	4.9
84.02031	1.0
85.02824	2.6
87.00758	1.0
89.02322	2.9
93.03348	0.4
93.64932	0.4
95.01254	0.9
95.04904	0.6
95.82494	0.4
96.25380	0.3
96.95895	0.4
97.02807	0.5
99.00794	0.8
101.02314	3.7
113.02332	4.2
117.03396	0.5
119.03419	0.8
119.04877	0.6
121.02850	0.7
125.05961	0.6
125.09599	0.8
127.11172	1.0
132.02072	0.6
133.02852	5.2
134.03581	0.6
135.04434	2.9
136.01570	0.5
137.02335	1.3
139.03871	0.4
143.03439	0.6
145.02838	2.0
149.02217	0.4
149.05940	0.4
150.03189	0.5
161.02361	16.1
161.04353	1.9
162.02701	0.7
163.04013	0.4
163.11249	3.4
165.05498	1.0
165.12785	1.5
171.10176	3.1
171.11522	0.5
172.10493	0.5
174.03163	0.7
175.03952	0.7
179.03430	2.2
179.05392	0.5
181.12231	0.5
183.10220	0.4
185.11711	0.5
187.07541	0.5
189.05580	0.5
191.10683	0.7
200.04803	0.7
201.11267	22.2
202.11607	1.1
203.10696	1.0
207.10184	0.8
209.11780	100.0
210.12115	6.9
211.12379	0.5
225.11243	0.8
226.11516	0.5
227.03476	0.6
227.12852	13.3
228.13217	1.1
229.22163	0.4
235.08194	2.4
253.09247	8.9
254.09636	0.4
257.08093	0.7
299.02020	1.8
305.71640	0.4
314.04315	2.9
329.06653	6.0
330.07022	0.5
361.16443	2.5
375.21835	0.5
388.07477	0.4
393.22937	0.4
437.20166	0.6
445.20840	2.0
487.34201	0.8
529.23047	0.8
637.32532	0.5
691.25629	6.4
692.26367	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	691.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78319	1.1
56.78688	1.1
66.01691	1.0
70.99693	1.5
71.00041	1.6
74.10504	0.9
78.95774	48.9
80.02560	2.7
81.03325	2.4
83.04887	8.6
84.02020	2.8
96.96836	4.9
109.06446	1.0
121.30014	1.0
125.05947	1.5
130.52127	1.1
132.95288	0.9
152.99495	61.5
158.15991	1.0
163.11189	7.5
165.12787	3.1
171.00580	6.4
191.10632	1.2
207.10242	1.3
208.02521	1.0
209.11775	92.9
210.12102	5.4
227.03233	4.4
227.12825	11.2
245.04199	2.3
253.21704	24.8
254.22086	2.4
283.50900	1.1
289.55624	1.2
317.79843	1.1
363.12131	7.6
430.00253	1.1
437.15802	7.6
438.15994	1.6
454.14996	1.1
455.16846	100.0
456.17032	12.1
548.52643	1.1
691.38220	76.3
692.38617	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	691.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.1
58.15570	0.7
59.01254	18.6
61.98694	2.8
62.96267	0.8
71.01241	0.9
71.06769	2.0
78.95779	100.0
79.46583	0.7
81.03322	0.9
82.12440	0.7
83.04891	2.7
96.96841	8.0
134.98410	1.4
141.70692	0.8
150.97966	0.9
152.99498	53.5
155.05103	0.7
161.02312	1.1
163.11168	2.5
165.12753	1.7
167.15395	0.8
177.60941	0.7
179.14355	0.8
195.13814	13.4
196.14175	1.2
209.11786	33.9
210.12093	2.4
223.13277	1.6
227.12801	3.6
277.21747	11.1
278.22009	0.8
293.21259	2.8
295.22797	39.8
296.23135	4.0
363.12347	5.8
364.12509	0.8
381.13318	0.9
395.14890	5.2
431.22025	25.2
432.22314	1.8
449.22906	8.9
450.23853	1.2
451.23682	0.9
489.42731	0.9
659.35663	49.7
660.36108	8.6
691.38226	26.4
692.38770	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	691.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.1
61.98705	2.6
71.01260	1.5
72.99192	0.4
75.00732	0.3
78.95765	0.5
85.02818	0.4
87.00726	0.2
88.13674	0.2
88.27534	0.2
89.02304	0.7
96.39116	0.2
97.02824	0.2
101.02335	0.9
112.61051	0.2
113.02318	0.9
135.04425	0.4
142.43169	0.2
145.02876	0.7
159.77521	0.2
161.02330	0.7
169.12263	0.3
171.10188	0.3
179.03387	0.4
194.65056	0.2
197.11760	0.3
209.11813	0.7
211.13231	0.3
213.14970	0.4
225.11316	0.3
235.08202	0.2
235.16988	0.7
275.20047	0.6
293.21216	2.2
294.21548	0.2
321.07333	0.2
378.30371	0.2
390.83887	0.3
397.13412	1.1
415.14749	0.8
487.34290	100.0
488.34622	16.0
647.26660	0.3
691.34265	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34821	1.0
57.03308	1.4
57.59360	1.0
59.01241	3.5
59.74923	0.8
61.98701	2.6
65.99722	7.3
70.12038	1.0
71.01247	6.7
72.96719	1.0
72.99156	1.3
73.02821	1.3
83.01257	3.3
85.02826	6.4
89.02360	1.8
95.01274	2.2
97.02800	1.0
99.00764	1.8
101.02287	2.9
105.03330	1.2
107.04904	2.0
113.02341	11.8
114.27856	1.1
117.03355	2.5
119.04873	1.2
120.71046	1.1
121.02851	2.8
123.04433	8.9
127.00261	1.4
132.02100	1.4
133.02850	29.0
134.03610	4.6
135.04419	58.3
136.04745	3.2
137.02318	2.0
139.02156	1.2
139.03900	4.4
139.93372	1.1
144.04440	3.9
145.02866	13.3
146.03595	1.2
147.04425	14.9
149.02370	5.0
149.05954	1.4
150.03140	10.6
151.03922	14.9
161.02357	70.0
162.02690	5.6
163.03891	7.6
172.03944	13.2
173.02376	20.8
174.05556	5.1
175.03954	2.2
177.05437	1.5
178.02621	2.1
179.03426	100.0
180.03790	6.4
181.04942	1.3
181.82703	1.2
182.04532	1.3
189.04185	8.4
190.02831	1.1
190.04999	7.0
191.03479	2.3
193.04964	2.0
195.23366	1.2
196.03610	2.1
200.03474	34.1
201.03835	2.5
203.03409	3.3
211.05995	4.9
218.04533	16.6
233.04494	1.4
265.34210	1.1
273.61789	1.0
325.64322	1.0
383.20773	1.0
459.15063	3.5
475.12396	2.1
487.14798	8.4
488.14746	1.4
498.15924	3.3
508.14984	1.8
526.15454	2.1
621.18298	3.4
633.17090	1.2
654.20740	1.8
660.19342	46.5
661.19769	9.7
692.21832	34.3
693.02985	1.4
693.21594	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	3.2
59.01231	9.7
61.98691	15.4
71.01253	18.3
71.06332	5.4
72.90382	2.3
73.02810	5.7
74.18777	2.4
75.00726	4.0
83.01254	73.6
85.02848	6.0
87.00727	5.2
89.02299	5.9
91.11900	2.2
95.01261	2.8
96.95850	3.5
99.00748	17.4
101.02324	37.3
109.02820	3.6
109.18105	2.4
111.00811	3.1
113.02308	9.0
115.00294	2.6
117.03324	3.0
119.04919	16.4
120.91518	2.4
121.02834	5.6
123.04358	3.6
124.01460	6.0
127.00261	39.3
133.02814	10.3
134.03523	3.0
135.04382	11.1
136.01524	3.5
139.00226	5.7
139.03914	58.4
141.01785	5.2
145.02811	6.6
146.03593	6.7
147.04405	2.4
149.02354	5.5
149.05919	9.1
150.03079	2.9
151.00217	11.3
151.03857	2.6
153.05415	7.9
160.01556	2.4
161.02371	21.5
161.04483	3.2
161.05968	4.4
163.00180	7.3
163.03864	9.7
164.04604	4.6
165.01814	7.4
166.02641	20.5
175.02379	5.2
175.03799	6.9
177.01691	2.9
177.05476	4.3
178.02612	13.3
178.49480	2.6
179.03375	15.8
179.06978	12.6
181.01276	11.2
181.04994	27.7
183.06497	6.8
190.02594	3.5
191.03371	2.9
193.01219	5.2
193.05003	27.6
194.02074	8.8
194.05409	2.4
195.02852	6.0
195.92714	2.5
196.03668	22.1
197.04337	5.9
205.04903	4.0
207.02893	4.2
208.03656	5.8
209.04427	4.6
211.06065	89.2
212.06425	4.4
213.05403	2.7
223.05998	16.3
237.04022	2.9
241.05023	2.7
241.07184	17.1
265.84647	2.5
271.09683	3.7
289.05597	4.8
316.51205	2.5
337.09192	3.7
343.11609	4.6
373.13000	12.7
403.13797	8.7
511.01996	2.6
531.14746	12.2
536.67377	2.6
649.20923	6.5
693.20068	100.0
693.32123	6.0
694.20416	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.4
58.00464	0.3
59.01253	8.3
61.98701	4.7
69.03323	0.4
69.33900	1.3
69.34315	0.9
71.01255	6.6
72.99196	0.4
73.02823	1.8
75.00748	0.4
78.17083	0.3
78.95760	0.3
81.03339	0.6
83.01266	0.7
85.02815	2.7
87.00755	0.7
89.02328	1.8
89.03912	0.3
95.01270	0.6
97.02817	0.4
98.20628	0.4
99.00825	0.3
99.04397	0.3
100.11062	0.3
101.02328	2.0
101.02898	0.3
109.02781	0.3
113.02338	5.2
117.03365	0.9
119.03411	0.6
119.04899	0.3
125.02383	1.0
132.02065	17.4
133.02771	0.5
134.03627	14.1
135.04375	0.6
137.02332	0.7
137.05980	1.1
139.03859	0.4
143.03427	0.4
149.05986	2.1
152.04720	1.2
154.97087	0.2
155.03468	0.5
160.01569	61.3
161.02052	3.2
161.04489	0.5
167.07042	1.9
175.03923	100.0
176.04266	4.4
177.01930	0.3
177.03357	0.6
178.02565	0.6
179.03404	0.9
193.04993	11.1
194.05324	0.6
203.05504	0.3
212.10289	0.3
225.89195	0.3
311.11340	0.6
329.12515	0.7
371.13599	0.3
457.17191	0.7
471.30902	0.4
475.18268	1.6
485.32562	0.4
499.17828	0.5
501.31958	0.3
513.28595	0.3
517.19312	3.4
518.19629	0.5
547.18365	0.4
693.23907	16.8
693.32739	0.7
694.24554	3.6
721.37170	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.2
57.03303	2.1
58.00461	1.5
59.01252	39.3
61.98708	4.8
63.95405	0.7
69.55878	4.1
71.01253	43.0
72.99181	3.8
73.02823	10.8
75.00755	2.3
83.01258	4.8
85.02820	15.5
87.00748	3.0
88.98668	0.9
89.02319	26.8
93.03323	1.7
95.01270	4.1
97.02834	0.9
97.70786	0.7
99.00757	29.4
101.02328	20.4
101.61162	0.6
108.02050	2.9
109.02846	1.1
111.00748	2.8
113.02334	21.6
116.92715	0.7
117.03368	0.9
119.03393	7.0
119.04865	1.5
123.04422	0.9
125.02368	1.1
129.01859	0.9
131.03368	3.0
132.02043	0.9
133.02869	4.3
134.03629	1.2
135.04463	4.8
137.02364	4.0
143.03389	2.1
145.02835	2.4
149.02380	1.2
149.04477	4.9
149.29303	0.7
150.03207	1.0
150.18286	0.7
152.01035	2.2
153.01785	0.7
156.00500	0.9
159.02911	0.9
161.02362	9.3
161.04436	5.3
162.02757	1.3
163.03911	1.4
167.03279	0.7
175.03940	2.2
177.01877	1.6
177.27957	0.6
179.03419	7.3
179.05556	1.4
191.05516	4.8
192.32756	0.7
198.81087	0.7
221.04268	0.9
271.60190	0.7
354.76297	0.7
399.23904	2.5
471.31296	2.2
513.27051	1.2
515.28735	1.6
517.31824	1.3
531.28448	4.1
532.28601	1.0
561.29120	20.6
562.29510	4.3
633.31183	0.8
643.23761	0.9
693.33539	100.0
694.33759	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39091	0.7
57.03334	1.1
59.01253	11.9
59.58097	0.7
60.12864	0.7
61.84097	0.7
61.98699	4.1
64.64354	0.8
70.38571	2.3
71.01258	8.6
71.04893	8.0
72.99198	1.8
73.02821	2.0
75.00757	1.5
78.95769	0.8
83.01255	1.5
85.02824	4.2
85.99989	1.0
89.02321	3.8
93.03367	1.7
96.95892	2.5
99.00787	0.8
101.02325	5.2
107.04887	1.1
109.02814	0.9
113.02315	5.4
119.03387	1.7
119.04922	1.8
119.08565	10.0
121.02779	1.2
121.06499	0.9
123.76559	0.7
133.02866	2.8
134.03699	1.0
135.04398	4.6
137.02351	3.2
141.96944	0.7
145.02841	3.6
147.04419	1.6
149.02336	1.1
151.03893	0.8
156.63275	0.8
158.03644	11.9
159.04420	5.4
161.02386	8.0
161.04391	1.2
162.02766	1.1
162.40039	0.8
163.03995	1.2
163.07523	1.8
171.04456	2.3
171.10254	0.9
173.09616	1.3
175.03922	1.0
175.11195	1.7
177.01854	2.1
179.03435	6.9
189.12758	1.4
193.05025	1.2
201.05499	0.8
202.02660	61.6
203.03146	5.0
213.05470	2.2
231.06552	0.9
257.15430	1.9
259.16986	1.4
273.18610	1.5
285.04065	1.1
291.17383	1.1
291.22711	0.8
307.20749	8.4
308.21164	1.2
323.23599	2.1
325.21725	2.7
335.23691	1.4
341.24753	1.0
353.24890	1.4
387.22034	1.2
391.26379	6.3
407.14609	1.3
407.24799	1.3
407.29617	16.2
408.29797	2.6
409.27560	2.2
425.30634	20.9
426.31049	3.4
428.95465	0.8
441.30066	0.9
459.43787	0.8
469.29922	1.5
471.27350	1.3
487.30661	50.8
488.30984	8.9
507.31781	0.8
531.29486	8.3
532.29633	1.3
573.30658	19.9
574.30573	2.7
603.31848	2.3
633.32794	4.0
693.23914	39.3
693.34955	100.0
694.24231	10.9
694.35645	30.1
717.76984	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.37
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.2
59.00954	0.9
59.01253	15.5
61.98706	6.6
69.80420	2.0
71.01256	12.9
72.99174	1.3
73.02817	1.6
73.77341	0.4
75.00724	0.5
78.95769	1.4
83.01273	0.9
85.02804	3.0
87.00738	2.2
89.02318	10.5
95.01247	0.8
97.02795	1.5
99.00742	0.6
101.02328	9.0
105.40972	0.4
111.00699	0.5
113.02328	5.0
113.09615	0.9
117.03347	0.9
119.03384	2.7
119.04919	0.7
123.00783	0.7
125.02351	2.1
131.03401	0.5
132.46162	0.5
135.04422	1.0
143.03380	1.7
145.02881	3.7
145.58670	0.5
149.04402	0.7
152.99484	0.7
161.02362	1.1
161.04478	1.7
163.03873	0.5
179.03413	0.8
179.05547	2.4
179.14377	0.8
181.12244	0.7
195.13844	12.7
196.14307	0.6
209.11795	2.1
211.13377	1.2
216.21449	0.4
221.06612	0.8
227.12737	0.5
232.37024	0.5
235.08218	2.4
242.54459	0.4
253.09241	1.0
277.21759	11.4
278.22150	0.7
287.07785	0.5
295.22781	100.0
296.23096	8.3
305.08795	0.7
323.09616	0.5
360.79526	0.4
397.13504	19.4
398.13705	1.7
415.14566	19.9
416.14825	1.6
471.35123	0.9
649.29626	0.7
693.38452	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50249	0.4
55.01748	0.7
57.03316	0.9
58.00470	0.8
59.01250	19.8
61.98702	4.7
69.03320	0.9
71.01255	13.0
71.30657	0.7
72.99172	1.1
73.02811	2.4
73.25564	0.4
78.95771	1.5
81.03349	0.4
83.01270	1.3
83.04915	0.5
84.48698	0.4
85.02827	2.8
87.00765	2.3
89.02319	10.3
95.01309	0.9
97.02815	1.6
97.40509	0.4
99.00763	1.2
101.02321	8.7
102.02748	0.4
113.02338	4.8
113.09609	1.2
119.03389	2.8
119.10426	0.4
125.02330	2.7
133.02849	0.7
135.04410	1.2
143.03404	1.4
145.02814	0.5
152.99547	0.7
161.02382	3.1
161.04460	1.8
168.13979	0.4
171.10159	1.1
179.03366	2.0
179.05582	2.0
179.14284	1.0
181.12314	0.5
195.13846	12.8
196.14279	0.6
207.10248	0.6
209.11705	1.4
211.13287	0.8
221.06844	0.9
235.08240	2.6
253.09399	1.1
259.20660	0.5
263.07706	0.5
277.21713	12.1
278.22058	1.1
293.21191	0.7
295.22781	100.0
296.23145	8.4
305.08762	0.5
397.13489	20.2
398.13715	1.6
415.14569	20.6
416.14862	1.6
471.19638	0.6
471.34814	10.3
472.35254	1.1
478.86038	0.4
487.34125	2.5
693.36792	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09007	0.3
53.60597	0.3
59.01252	37.0
61.98707	3.7
71.01244	2.0
71.50702	0.5
72.99164	0.4
78.95795	1.6
85.02840	0.7
89.02308	1.0
101.02332	1.3
106.51658	0.3
113.02328	1.5
113.11755	0.3
119.03337	0.5
135.04449	0.8
145.02895	0.4
152.99478	0.6
161.02396	1.7
161.04457	0.8
179.03415	1.3
209.11722	0.8
211.13449	0.8
295.22903	1.0
311.23813	0.4
364.14508	0.4
397.13333	0.5
471.34799	100.0
472.35153	16.1
485.36093	0.5
492.31549	0.4
615.09271	0.4
633.39362	1.3
693.36908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30702	2.1
53.21430	2.1
57.03316	2.8
59.01248	18.9
61.98594	2.3
63.02258	3.1
65.00204	4.5
69.19386	10.6
69.19813	15.7
71.01263	38.4
72.99179	26.1
73.02814	4.7
75.00755	15.3
83.01264	8.3
83.75442	2.4
85.02341	4.0
85.02824	36.4
87.00754	8.9
89.02322	7.8
89.52819	2.5
95.01266	8.0
99.00736	13.2
101.02341	5.7
103.00237	7.2
105.92165	2.4
107.01257	6.2
109.02844	2.9
111.00768	5.0
113.02336	43.7
114.02621	3.1
115.00254	6.4
121.02830	2.7
125.02340	19.0
129.01836	4.1
131.03433	2.7
133.01364	2.9
133.02878	13.4
137.02328	9.2
139.00256	8.3
141.01820	2.8
141.76001	2.8
145.02806	2.5
151.00313	17.0
153.01822	11.4
160.03928	5.4
161.02348	5.0
162.01849	3.2
163.00336	3.4
163.02498	3.6
164.03445	4.4
164.98257	2.4
165.01813	5.8
166.99847	2.6
168.00504	2.9
175.02391	7.0
177.01862	10.3
178.02179	2.8
178.99792	10.6
179.03397	3.4
180.03088	3.1
188.03302	2.3
193.01384	7.7
193.03479	28.3
198.01884	3.6
205.01372	4.9
207.02827	2.9
209.00804	5.9
216.02953	7.4
222.04083	3.3
229.04999	2.6
232.02434	6.1
234.83606	2.5
255.02982	5.0
269.04633	6.9
273.03812	2.7
284.03201	7.4
285.03964	10.2
286.04721	2.5
297.03983	28.3
298.04330	2.9
301.03430	17.5
302.03821	4.8
306.04245	3.2
314.06766	4.1
315.05014	6.9
324.05142	47.5
325.05481	3.9
342.06177	88.2
343.06418	8.6
351.05670	100.0
352.05984	10.0
370.53302	2.9
415.97177	2.8
694.11847	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	694.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14072	2.6
51.98748	2.5
57.03323	4.5
59.01247	13.2
65.00202	2.8
68.86614	2.5
70.53470	6.4
71.01254	27.8
72.99193	19.4
73.02824	3.5
74.33674	2.3
75.00745	8.2
83.01264	3.0
85.02820	26.6
87.00739	6.7
89.02274	3.1
95.01241	2.7
99.00759	7.2
101.02325	5.1
102.09930	3.3
103.00257	4.3
107.01296	4.6
109.02841	6.3
113.02327	36.0
125.02344	9.0
133.02835	32.7
137.02382	7.6
151.00278	15.3
157.01370	2.5
161.02350	8.0
164.03452	8.4
175.02428	6.1
177.01799	19.0
178.99797	5.2
179.03343	3.5
193.01852	3.6
193.03430	18.8
205.01283	5.3
216.03059	3.9
227.03592	2.6
232.02481	22.8
255.03012	3.8
256.03656	3.2
263.24368	2.8
269.04578	5.2
284.03305	22.3
285.03864	14.4
286.04440	6.8
287.04474	3.4
289.05783	2.9
297.04120	35.0
298.04309	3.3
301.03491	10.6
302.04141	5.0
304.31949	3.2
324.05167	100.0
325.05466	9.3
333.04791	3.2
342.06213	54.8
343.06589	4.7
351.05692	86.6
352.06091	5.3
369.06821	3.9
455.35641	2.9
676.11853	9.0
694.12756	16.0
695.13110	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	695.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	8.2
64.29837	2.4
70.43241	7.1
71.01257	13.6
85.02834	6.5
89.02326	7.2
101.02324	6.0
102.46754	3.1
106.78252	3.0
113.02317	15.1
120.47974	2.6
131.11659	2.4
133.02853	41.0
135.04422	17.4
151.03897	3.8
161.02354	100.0
162.02603	5.0
179.03403	9.4
228.85403	2.8
255.02972	4.4
283.02457	7.6
285.04056	4.9
461.16751	5.2
530.38080	3.2
611.98029	2.8
623.19806	53.6
624.19946	13.9
651.16437	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	695.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92589	0.3
57.03361	0.4
59.00971	1.5
59.01254	40.4
60.01611	0.4
61.98737	1.1
69.03362	0.4
69.21922	1.1
69.22329	1.8
71.01257	13.7
72.99220	1.4
73.02823	8.5
75.00803	0.4
77.03885	0.4
81.03371	0.4
83.01261	4.7
85.02826	5.4
87.00790	0.7
89.02320	5.5
89.03883	0.5
91.01783	0.3
93.03400	1.1
95.01307	1.4
97.02882	0.8
98.20692	0.8
99.00130	0.4
99.00792	0.9
101.02329	11.8
103.03917	0.7
105.03386	0.9
107.04945	0.5
108.02114	0.5
109.02856	2.4
113.02338	11.4
114.02693	0.5
116.92764	0.9
117.03353	2.9
119.03414	2.2
119.04955	1.7
121.02909	1.3
123.04428	6.0
125.02367	1.1
126.05589	0.4
131.03401	0.9
132.02036	2.3
133.02856	37.6
134.03416	1.3
135.04424	15.0
135.05450	0.8
136.04747	0.6
137.02373	1.9
143.03427	2.5
145.02849	6.3
147.04501	0.6
149.02382	1.2
149.04443	2.5
149.06044	0.5
150.03123	6.4
151.03928	13.8
159.04350	0.7
160.01675	0.5
161.02359	100.0
161.04510	4.4
162.02702	4.6
163.03935	1.9
163.06065	0.8
171.04448	0.4
172.05222	0.6
173.06039	1.2
174.03114	0.7
175.03949	2.3
177.01794	0.4
177.05524	1.5
179.03429	18.9
180.03728	0.9
185.06038	0.5
186.83516	0.4
187.03929	1.0
189.05487	0.8
193.05028	0.6
199.03963	0.6
201.05501	2.0
202.02626	0.4
203.03452	4.4
203.05450	0.6
205.05011	1.2
217.04964	1.2
221.04462	1.8
221.06575	1.0
231.06676	0.4
233.04399	0.8
243.06618	0.4
245.04543	6.0
246.04929	0.6
261.07571	1.0
263.05499	1.6
265.07080	0.5
303.08679	0.6
305.06650	3.5
325.09109	0.9
351.05444	0.4
365.08875	2.1
366.08862	0.6
387.12668	0.5
459.14368	1.3
469.13678	0.5
501.16098	3.3
515.29706	0.7
529.15704	4.7
530.15265	0.5
533.17944	1.2
621.17041	1.6
633.94958	0.4
663.19324	34.3
664.19818	6.6
695.20532	16.8
696.21112	3.5
722.71045	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65306	0.6
57.03330	0.9
59.01249	12.0
61.98703	19.9
71.01259	7.7
71.04891	1.5
71.52357	0.7
72.99183	1.4
73.02837	1.8
75.00753	2.1
83.01257	1.7
85.02808	3.7
87.00748	1.1
89.02314	2.0
93.03336	0.8
95.01247	0.6
99.00767	0.8
101.02325	3.7
107.53288	0.5
108.02006	1.0
109.02854	2.3
111.00814	0.7
113.02337	2.8
115.00260	1.0
117.03351	30.4
118.03707	1.4
119.04917	15.7
119.05746	1.1
120.05213	0.8
121.02843	1.8
123.04370	0.8
125.02393	0.7
131.04976	0.7
132.02116	0.7
133.02841	4.9
134.03619	0.8
134.83507	0.6
135.04449	3.0
136.01573	8.2
137.02347	2.9
139.03909	0.9
145.02859	100.0
146.03180	4.1
147.02905	2.4
147.04375	0.7
151.00291	2.7
151.03911	8.5
152.01045	1.4
160.01593	1.6
161.02365	13.7
161.04437	1.4
161.05978	1.2
162.02971	1.8
163.03915	12.3
166.02602	6.3
167.03476	1.0
170.27168	0.6
173.06032	0.7
175.03920	3.0
176.04526	1.1
177.05493	2.0
179.03419	3.4
181.04994	5.5
187.03944	2.1
191.07050	1.3
193.04971	0.7
203.06927	0.7
205.04929	0.6
219.06552	0.8
237.11357	0.6
251.12828	1.0
253.14343	0.7
260.31921	0.6
303.29904	0.7
307.08231	58.0
308.08514	3.6
309.07846	0.7
323.07800	0.6
342.11035	1.4
343.11868	2.5
357.13452	3.0
358.10492	2.2
371.11279	0.8
372.12494	0.8
373.12927	24.1
374.13235	2.6
387.14694	3.9
391.30157	1.0
393.27798	0.7
409.31058	1.7
453.30194	1.0
455.31601	1.0
471.31247	1.7
472.31363	2.6
473.32315	2.4
485.14474	1.3
488.31403	1.2
503.33884	11.8
504.34088	1.8
517.31805	2.1
518.31573	0.7
533.23828	5.5
533.31421	3.2
651.33020	0.9
665.21887	1.0
679.37085	5.0
680.37885	2.0
694.36182	1.6
694.76703	2.8
695.23749	23.9
695.36456	12.8
695.76392	0.9
696.24097	5.7
696.35815	1.2
711.36737	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.8
57.11954	0.6
58.00482	0.6
59.01254	12.2
61.98709	2.0
71.01247	9.9
72.99177	1.8
73.02838	2.1
74.80679	0.8
75.00734	0.9
76.57520	0.6
78.64735	0.6
83.01265	4.1
85.02853	2.9
87.00759	1.2
89.02319	6.5
93.03334	1.3
99.00749	1.6
101.02329	8.6
113.02302	4.1
116.43854	0.7
117.03350	37.7
118.03683	1.5
119.03455	1.8
119.04915	21.6
120.05215	0.9
121.02865	1.5
123.04360	0.8
127.00298	1.3
132.05763	0.9
133.02879	6.1
133.06499	2.7
135.04398	2.8
137.02351	1.2
142.45415	0.7
145.02861	100.0
146.03207	5.2
161.02373	12.1
161.04654	1.0
161.05977	5.9
162.02870	0.7
163.03932	26.5
164.04320	0.9
175.03940	1.3
175.88646	0.6
177.05441	3.5
179.03418	2.7
205.05003	8.4
235.06107	1.9
265.07129	3.6
487.34247	0.8
507.30469	0.7
515.23730	2.1
533.24011	7.3
533.31299	1.4
534.24237	1.5
695.29114	76.4
696.29419	18.5
716.80743	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00478	0.9
59.01252	8.6
61.98743	1.6
63.14378	0.5
69.28152	4.3
71.01248	6.9
71.04917	0.9
73.02839	1.0
75.00778	0.8
77.26566	1.7
83.04923	0.7
85.02824	3.1
87.00768	1.1
89.02329	3.5
93.03333	0.8
95.01324	0.7
101.02312	3.9
105.03402	1.0
108.02176	0.6
113.02332	3.8
116.92766	1.1
117.03352	12.1
119.03441	1.6
119.04910	6.4
119.05610	0.6
121.02873	0.9
123.04436	1.1
131.57245	0.5
132.02103	2.3
133.02855	39.0
134.03409	1.0
135.04413	13.1
135.05440	0.7
136.04840	0.7
137.02361	2.3
145.02863	29.6
146.03163	0.8
149.02330	0.7
149.06010	0.8
150.03104	0.7
151.03998	0.6
161.02354	100.0
161.06015	2.2
162.02687	4.4
163.03897	7.1
164.04042	0.5
177.01839	0.8
177.05486	2.4
177.86522	0.5
179.03427	12.7
180.03723	0.7
205.04892	1.0
206.94698	0.5
221.04633	3.0
251.05392	1.0
281.06552	2.1
453.29636	1.3
471.30551	2.2
489.31992	1.1
515.22046	3.0
515.29633	1.9
533.22839	1.6
533.30707	3.5
534.30774	1.0
663.22992	2.9
664.22058	1.3
695.27820	75.6
696.28424	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	695.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00992	1.1
59.01313	12.6
60.99215	0.6
61.98762	2.4
62.32331	0.6
70.91403	0.6
71.00887	1.3
71.01321	8.8
71.04955	1.1
71.52484	0.7
72.99231	1.2
73.02869	1.2
75.33538	0.6
77.26107	2.7
77.26590	2.3
83.01311	0.9
85.02825	2.9
89.02316	5.6
93.03370	0.8
95.01373	1.0
101.02338	5.6
101.02895	0.6
108.02103	1.1
109.02892	0.5
113.02354	4.5
116.92784	0.7
117.03349	34.9
118.03685	1.1
119.03471	2.2
119.04910	18.7
120.05251	0.8
123.04417	1.3
125.02338	0.8
132.02092	1.0
133.02850	14.4
134.03589	1.4
135.04411	5.7
137.02347	2.4
145.02856	100.0
146.03214	4.4
152.01085	1.2
161.02353	45.4
161.05917	1.4
162.02705	2.3
163.03928	21.7
164.04163	1.1
177.01773	0.7
177.05415	1.7
177.75734	0.5
179.03436	6.2
179.05078	0.9
179.77130	0.7
191.07008	0.7
205.04916	1.1
251.05431	0.7
265.07019	1.0
316.80557	0.6
395.28952	1.5
423.28461	0.7
441.29285	0.8
453.29193	1.6
467.26993	2.3
471.30023	6.7
485.29108	11.1
485.35333	0.9
486.28522	1.2
515.22296	0.8
515.29211	1.1
533.22498	28.4
533.30927	2.6
534.22791	3.6
647.32434	1.8
663.21753	0.9
695.26642	73.1
695.47766	4.1
695.52985	2.6
696.27576	15.8
696.53198	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.8
57.11954	0.6
58.00482	0.6
59.01254	12.2
61.98709	2.0
71.01247	9.9
72.99177	1.8
73.02838	2.1
74.80679	0.8
75.00734	0.9
76.57520	0.6
78.64735	0.6
83.01265	4.1
85.02853	2.9
87.00759	1.2
89.02319	6.5
93.03334	1.3
99.00749	1.6
101.02329	8.6
113.02302	4.1
116.43854	0.7
117.03350	37.7
118.03683	1.5
119.03455	1.8
119.04915	21.6
120.05215	0.9
121.02865	1.5
123.04360	0.8
127.00298	1.3
132.05763	0.9
133.02879	6.1
133.06499	2.7
135.04398	2.8
137.02351	1.2
142.45415	0.7
145.02861	100.0
146.03207	5.2
161.02373	12.1
161.04654	1.0
161.05977	5.9
162.02870	0.7
163.03932	26.5
164.04320	0.9
175.03940	1.3
175.88646	0.6
177.05441	3.5
179.03418	2.7
205.05003	8.4
235.06107	1.9
265.07129	3.6
487.34247	0.8
507.30469	0.7
515.23730	2.1
533.24011	7.3
533.31299	1.4
534.24237	1.5
695.29114	76.4
696.29419	18.5
716.80743	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17437	0.3
51.72163	0.3
51.83796	0.3
53.61861	0.3
55.01772	0.4
57.03323	0.7
58.10968	0.3
59.01246	4.3
61.98709	1.6
70.03848	0.3
71.01254	3.8
71.52237	0.3
72.99187	0.6
73.02827	0.4
74.52426	0.3
75.00765	0.5
79.24195	0.3
81.43017	0.3
83.01260	0.7
85.02819	1.5
87.00742	0.5
88.98684	0.5
89.01841	0.3
89.02309	2.0
89.03879	0.3
93.03339	1.1
95.01298	0.5
96.95891	0.4
99.00751	0.6
101.02328	1.9
106.78392	0.3
108.02036	0.6
113.02338	2.5
116.92758	0.9
117.03349	25.7
118.03693	0.9
119.03443	0.5
119.04911	11.2
120.05291	0.4
121.02861	0.6
123.04392	0.4
133.02846	2.3
133.06494	1.0
135.04416	1.8
137.02335	1.6
137.09631	0.5
145.02853	100.0
146.03209	5.1
147.04362	0.4
149.02382	0.4
152.01064	0.4
160.01563	0.5
161.01042	0.3
161.02344	7.2
161.04520	0.7
161.06003	2.0
162.02930	0.4
163.03912	13.3
164.04251	0.5
172.97287	0.3
177.05487	0.8
179.03401	1.5
189.12848	0.5
205.05060	1.6
230.47813	0.3
235.06096	0.4
265.07166	1.0
300.93567	0.3
307.08154	0.6
377.51636	0.4
473.28607	0.5
533.23907	52.5
534.24261	7.7
663.23047	0.6
695.29022	21.3
696.29523	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	695.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16071	0.8
51.51156	0.8
52.52860	0.8
59.01252	100.0
64.71698	0.9
69.44039	2.8
69.44455	2.5
78.95770	12.6
88.31885	0.8
89.42811	0.8
98.20534	1.7
116.11592	0.8
121.10425	0.9
135.75703	0.8
213.24837	0.8
229.38330	0.9
256.23541	1.3
535.16211	1.0
695.31024	55.9
696.31287	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	695.3649
Annotation	Trilocularoside A
Peak:m/z	Relative Intensity
54.00542	0.4
57.03339	0.8
58.00457	1.9
59.01249	12.3
60.99170	7.3
61.98700	10.7
69.50518	0.8
69.50930	2.1
71.01247	5.9
71.04889	18.1
72.99166	0.8
73.02809	1.6
75.00739	1.3
76.13663	0.5
83.01241	0.7
85.02816	1.9
85.06443	1.1
85.99961	1.9
89.02305	3.3
93.03314	1.1
95.01237	0.6
97.06452	0.7
99.00761	1.1
101.02320	3.3
113.02336	3.1
115.00225	0.6
117.03345	0.8
119.03420	0.7
119.04893	1.5
119.08532	1.0
121.02853	0.5
133.02838	2.0
134.03635	0.5
135.04396	1.9
137.02307	2.1
145.02841	1.8
149.05936	0.7
151.03954	0.6
152.01031	0.8
158.03610	1.9
159.04367	1.3
160.01552	1.9
161.02325	3.2
161.04410	1.0
163.03908	1.3
175.03868	3.5
177.01839	1.9
179.03455	2.3
193.04984	0.7
202.02644	10.1
203.03224	1.0
264.51547	0.5
267.16061	0.5
289.19583	0.8
294.81363	0.5
305.22702	1.2
319.24197	0.5
323.23563	1.0
337.08859	0.5
365.28247	0.5
377.24985	0.6
386.24683	1.6
391.30151	0.9
393.27936	1.6
395.29510	0.9
399.25461	2.3
407.29852	0.8
409.31390	0.7
411.29053	0.7
423.28912	1.1
425.30304	0.8
449.27838	0.6
453.29993	4.1
454.30206	0.7
455.31516	0.8
471.31116	33.3
472.31290	5.3
477.19440	0.5
488.31049	0.8
503.33475	0.9
515.29919	1.1
533.31158	21.1
534.31732	3.2
575.32220	16.6
576.32623	2.8
635.34241	3.2
695.25934	7.7
695.36456	100.0
696.26099	1.8
696.36847	20.5
713.37836	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37370	1.0
59.01252	19.3
61.98715	4.8
69.03307	1.0
69.42565	6.8
71.01254	13.0
71.04874	1.7
72.99196	2.2
73.02828	1.7
74.35159	1.0
75.00748	1.1
83.01281	1.0
85.02835	3.9
87.00752	1.6
89.02324	5.7
91.82744	1.0
93.03352	1.3
95.01249	1.9
101.02336	6.6
108.02013	1.0
109.06557	1.0
113.02332	4.2
113.46040	0.9
117.03355	25.4
118.03706	1.8
119.03400	3.2
119.04925	15.8
123.04468	1.5
125.02392	1.6
133.02844	10.0
135.04410	4.2
137.02345	3.4
145.02858	71.3
146.03174	2.8
152.00989	2.2
161.02350	31.6
161.03673	1.2
161.05913	1.2
162.02815	1.5
163.03920	16.3
179.03400	5.7
205.05019	1.8
265.07120	1.0
395.29630	1.2
407.29736	1.4
410.53430	1.2
423.28903	3.0
441.29950	1.8
453.29880	2.6
467.27997	5.3
471.31207	13.9
472.31787	1.8
485.29117	23.3
486.29263	3.6
494.39432	1.1
515.29547	1.5
527.30267	2.3
533.24011	15.4
533.31256	3.1
534.23981	2.4
647.34479	3.4
648.34119	1.1
695.27368	15.8
695.38123	100.0
696.26965	3.6
696.38409	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3658
Annotation	Trilocularoside A
Peak:m/z	Relative Intensity
55.37985	0.5
57.03330	1.1
58.00464	1.4
58.70029	0.4
59.01245	11.1
60.99171	3.4
61.98703	6.6
71.01254	8.4
71.04893	20.2
72.99194	1.5
73.02828	0.9
75.00745	1.1
83.04913	0.8
85.02824	2.8
85.06468	1.0
85.99963	1.1
89.02322	4.5
93.03327	0.9
96.95949	0.7
99.00770	1.0
101.02316	4.2
106.12751	0.5
107.91247	0.4
109.02866	0.5
113.02343	2.5
117.03368	2.3
119.03398	1.1
119.04922	3.5
121.02866	1.3
123.04399	2.0
126.47836	0.5
133.02844	1.3
135.04454	1.0
137.02359	1.7
145.02855	6.6
149.34184	0.5
153.05482	2.7
161.02364	4.3
161.05965	0.7
163.03903	3.7
175.03876	0.7
179.03427	1.3
205.05095	1.2
265.07248	0.9
289.19687	0.9
305.22809	1.6
323.23801	1.1
379.26538	0.8
386.24857	0.6
391.30533	0.9
395.29520	1.0
399.25507	1.5
400.25482	0.6
409.31293	1.0
411.29089	1.3
423.29004	1.6
453.30093	2.3
471.31152	33.2
472.31491	5.0
473.28497	0.7
515.30164	0.9
533.23987	1.9
533.31171	15.3
534.31824	2.9
575.32190	18.4
576.32520	3.6
605.33325	1.8
635.33801	4.2
636.34662	0.9
695.36658	100.0
696.37085	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	695.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01358	0.2
59.01251	35.4
60.01583	0.2
61.98701	1.6
64.54276	0.2
64.93240	0.2
69.21958	2.0
71.01260	1.4
71.04892	0.5
72.99168	0.2
73.02818	0.3
81.10213	0.2
81.17420	0.2
83.01264	0.2
85.02849	0.6
89.02336	0.7
95.01259	0.2
97.63723	0.2
101.02328	0.9
113.02324	0.6
145.02843	0.5
161.02362	0.4
179.03452	0.4
190.37805	0.2
226.02444	0.2
337.09109	0.3
389.28607	0.4
401.28403	0.3
407.29697	0.5
409.31290	0.7
421.31024	1.0
422.31696	0.3
425.30475	0.4
438.30432	0.3
441.33887	1.8
442.33780	0.2
443.31720	0.6
453.29623	0.6
457.33218	0.9
459.34793	0.5
473.33167	1.0
485.32730	6.3
486.33035	1.2
503.33774	100.0
504.34122	17.4
515.32184	1.8
516.32391	0.3
626.50165	0.2
635.37921	0.5
654.46814	0.2
695.38281	1.8
696.39557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.4
58.00502	0.3
59.01251	63.0
60.01583	0.9
61.98703	7.4
63.99113	0.4
69.03323	0.3
69.28671	2.7
71.01254	3.2
71.04886	0.5
72.99203	0.5
73.02831	0.7
75.00744	0.3
77.18694	0.3
79.41470	0.2
83.01267	0.4
85.02833	2.8
86.53255	0.3
87.00752	0.5
88.98695	1.1
89.02327	1.3
93.03331	0.5
95.01240	0.5
96.95902	0.4
101.02329	2.0
105.73860	0.3
108.02061	0.3
109.02832	0.4
113.02328	2.9
116.92747	0.3
117.03371	1.7
119.03379	0.5
119.04924	1.0
121.02896	0.4
123.04417	4.2
131.03401	1.0
133.02858	1.5
134.03642	1.6
135.04370	1.5
136.01547	0.4
137.02383	0.4
142.18541	0.3
145.02859	4.8
147.04434	0.5
150.03177	0.3
151.03876	0.5
153.05493	3.5
160.01593	0.6
161.02377	3.3
161.04469	0.8
162.03159	4.4
163.03880	1.0
175.02516	0.6
175.03960	0.9
176.04681	0.7
177.01791	0.3
177.05507	4.4
177.29042	0.3
178.05858	0.3
179.03490	1.5
191.07149	1.2
193.05040	1.9
207.06581	0.5
221.04474	0.3
235.06094	2.3
265.07120	0.9
295.08270	1.3
307.08221	3.9
308.08435	0.6
323.07706	0.8
337.25128	0.3
343.81549	0.4
355.10306	0.8
391.29984	0.3
397.18515	0.8
401.28516	0.6
407.29440	0.9
409.31024	1.3
421.31268	1.8
422.31656	0.4
423.29318	0.3
425.30545	0.7
437.30643	0.4
439.32162	0.7
441.33813	4.4
442.34357	0.6
453.29773	0.7
455.31854	0.4
457.33136	2.7
473.32724	3.2
474.33151	0.6
485.14432	1.4
485.32635	4.3
486.33014	0.6
499.33630	0.4
502.81189	0.4
503.33780	100.0
504.34134	18.9
517.35260	1.5
545.34851	7.7
546.34912	1.8
575.36310	0.3
635.37622	1.5
651.31970	2.5
652.32434	0.4
695.19281	0.7
695.38623	1.7
696.37915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95353	0.3
52.69432	0.3
61.98703	100.0
91.21964	0.3
91.41283	0.3
96.95908	0.3
116.64132	0.3
120.02050	0.3
149.80389	0.3
229.17812	0.3
231.15640	0.3
277.92990	0.3
296.06912	0.4
296.13412	0.3
298.77673	0.3
318.63004	0.3
610.88788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36762	0.4
57.93835	0.4
59.01250	100.0
60.01588	1.3
61.91950	0.3
61.98705	2.7
71.01264	1.0
71.50948	0.5
78.95776	0.7
89.02327	0.5
97.90225	0.4
101.02334	0.6
121.02826	2.7
135.04451	0.6
161.02408	0.9
161.04533	0.4
171.10202	1.5
179.03523	0.7
191.03465	1.2
209.04483	1.2
243.93292	0.4
279.19119	0.4
289.18164	0.6
307.19171	0.5
308.08630	0.4
461.23108	0.7
593.12750	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12380	0.8
57.03294	1.3
59.01244	12.7
61.98701	8.6
64.25842	0.8
67.31100	0.9
71.00902	0.9
71.01244	10.8
71.04845	1.2
71.05209	1.0
72.99145	1.2
73.02802	2.1
76.59749	0.8
85.02788	3.4
87.00706	2.4
89.02329	4.2
93.03310	1.9
99.00745	1.8
101.02332	5.1
105.03314	1.1
108.02016	1.5
109.02853	6.4
113.02320	6.0
117.03348	11.3
118.03638	1.4
119.04892	7.2
121.02782	1.6
123.04351	1.7
125.02300	0.9
132.01982	3.4
133.02853	43.4
134.03471	2.9
135.04411	29.9
136.01472	3.9
137.02364	6.2
139.03833	1.5
145.02847	27.7
146.03192	8.3
147.03336	1.4
147.04391	1.2
148.01491	0.9
148.26558	1.0
149.02248	1.5
149.05905	2.5
150.03123	1.9
151.03900	5.3
153.01743	1.6
153.05363	1.7
160.01491	1.1
161.02348	100.0
161.04222	4.5
162.02687	6.2
163.03923	10.7
164.00980	1.9
164.04153	1.2
165.01740	1.0
166.02559	3.0
173.05907	1.0
175.03821	2.5
177.05493	6.0
178.02504	3.6
179.03426	20.6
179.05016	1.8
179.06831	1.4
180.03679	1.2
181.04999	7.5
187.11086	1.2
193.05035	5.2
203.03294	2.0
218.53989	1.0
221.04358	3.0
265.07007	1.1
280.05600	2.1
307.08151	1.9
323.07724	31.6
324.07797	2.2
329.10104	2.1
337.09161	1.3
359.11041	1.6
455.30237	0.9
468.27316	1.1
471.30615	1.2
472.31454	2.1
485.28424	1.1
486.28857	4.0
487.29337	2.2
517.13293	1.7
517.21985	0.9
534.23724	2.5
535.23993	3.2
538.71619	1.0
591.22119	1.6
593.31042	1.3
611.31610	1.1
629.25757	0.9
637.38538	1.4
648.34210	1.1
653.21906	1.7
653.32318	1.1
687.77917	1.0
696.25757	1.5
696.37946	21.5
697.20459	62.3
697.30243	8.8
697.37146	8.4
698.21405	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	697.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.6
57.03319	0.7
59.01255	5.8
61.98704	9.5
69.16946	0.5
71.01257	6.4
72.99173	1.0
73.02818	1.6
83.01266	0.7
85.02829	2.6
85.87357	0.6
87.00754	0.9
88.28898	0.5
89.02309	2.2
93.03333	1.9
95.01256	0.7
96.95910	0.7
99.00729	0.7
101.02322	3.0
103.17760	0.6
108.02048	3.6
109.02819	2.4
113.02344	2.8
117.03339	2.4
119.03395	1.1
119.04885	2.2
121.02852	4.0
122.03619	0.7
123.04438	2.5
125.02345	0.5
133.02821	1.7
134.03619	1.2
135.04411	3.8
136.01567	20.8
137.02380	9.0
143.03395	0.7
145.02859	11.1
146.03609	0.6
147.04420	1.3
148.05156	0.6
149.02357	1.6
149.05989	1.0
150.03113	1.8
151.03918	20.1
158.03625	0.6
159.04411	2.0
160.01564	1.0
160.05240	1.0
161.02348	5.6
161.04474	1.4
161.05992	2.3
162.03127	3.1
163.03885	4.2
165.05444	1.4
172.05193	2.2
173.05972	1.2
174.03130	0.8
175.03896	2.8
176.04654	1.3
177.01820	1.1
177.05450	3.4
178.02580	0.7
179.03392	1.7
179.07028	0.5
181.04996	1.0
187.03934	1.3
187.07484	0.9
189.05515	3.6
190.06262	3.1
193.05013	1.6
201.05579	0.7
205.04875	1.1
224.04550	0.7
225.05348	0.9
226.05948	0.5
237.05353	0.7
240.04137	0.7
241.05035	1.9
251.07219	0.7
253.05084	2.6
254.05913	1.2
255.06665	0.6
265.04977	1.8
266.05841	1.4
267.06702	0.8
268.07376	0.8
269.04553	7.0
270.05026	1.3
277.08560	0.9
278.05878	1.2
279.06616	2.3
280.07416	2.2
281.04578	9.2
281.08017	1.3
282.05078	1.2
283.06198	1.3
283.09650	0.6
284.06882	6.1
285.07635	0.9
290.05807	1.1
291.06668	0.7
292.07468	0.9
293.08258	1.5
294.08954	0.7
295.06119	1.8
295.09677	0.7
296.06934	9.4
296.10266	0.9
297.07556	1.3
298.08411	1.1
299.09268	6.7
300.09872	0.8
303.06662	0.8
304.07364	0.8
305.08093	1.2
307.08429	3.4
309.07599	1.0
311.09323	7.4
313.10806	1.0
321.07764	1.7
322.08572	0.6
323.09241	3.8
324.09967	1.8
325.10483	0.7
335.09439	0.9
336.10034	2.7
337.10745	2.2
338.11417	2.0
339.12500	3.0
351.12247	1.5
356.12485	0.8
368.10413	0.6
381.13474	1.6
384.12198	0.8
399.14407	2.6
415.11908	0.9
423.12103	0.7
427.11838	1.8
430.14413	0.8
431.14511	0.8
439.11749	1.5
441.13464	0.9
442.14163	3.7
443.14804	0.7
445.16940	1.2
457.17737	2.7
460.15384	1.8
469.12289	0.8
471.14191	0.6
472.15253	2.4
473.32635	1.1
475.18176	9.0
476.17755	0.9
484.15070	0.7
485.14496	1.9
487.13745	4.8
487.18173	3.1
488.14182	1.1
490.16360	3.3
499.17642	1.7
502.16254	5.5
503.16660	1.0
505.18683	55.2
506.19104	8.1
517.18658	100.0
518.18988	15.7
535.19458	6.3
535.32733	1.2
536.20068	1.7
595.25677	0.7
637.39642	0.7
697.24780	1.4
697.38409	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	697.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	16.9
62.97996	1.1
69.03328	1.1
69.29716	9.1
71.01248	21.8
71.58555	1.0
72.99172	3.7
73.02821	11.9
75.00745	61.2
83.01257	2.7
85.02825	9.1
87.00761	3.2
89.02323	15.2
95.01242	2.0
96.95879	1.4
99.00755	42.7
101.02330	9.4
113.02331	16.7
119.03391	3.5
119.04926	3.1
121.10168	3.2
123.28606	1.4
131.03407	2.7
135.04440	3.3
137.02405	1.3
148.07816	1.0
148.86064	1.1
149.04460	2.4
161.02335	2.6
161.04474	2.8
163.03934	2.2
164.47900	1.1
165.09138	2.5
175.03876	1.7
179.03371	3.5
183.65868	1.1
191.05515	3.8
219.04985	2.6
237.06108	25.7
345.15573	1.5
351.05585	2.0
477.19388	2.0
552.90326	1.3
697.25659	100.0
697.36273	4.1
698.25891	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	698.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01766	0.2
59.01250	3.1
60.01590	0.3
61.98703	100.0
68.67554	0.2
71.01262	0.9
71.51283	0.2
74.98981	0.2
78.95806	0.6
83.01296	0.2
85.02836	0.5
85.95454	0.2
85.98279	0.2
89.02312	0.4
92.95294	0.2
95.01246	0.2
101.02309	0.3
113.02331	0.5
133.02829	0.2
135.04471	0.4
137.02353	0.3
145.02892	0.4
161.02361	0.7
161.04588	0.2
163.03899	0.3
175.03981	0.2
179.03499	0.4
225.89934	0.2
253.03186	0.2
255.23499	0.3
297.40070	0.2
310.39679	0.2
444.34723	0.3
488.33078	0.3
503.33911	0.4
504.34241	1.5
505.34225	1.7
506.34641	2.4
638.40002	0.6
654.35181	0.2
694.71820	0.2
699.34955	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59176	0.7
57.03308	0.8
59.01252	10.0
61.33732	0.7
61.98703	18.3
62.45904	0.7
65.28873	0.6
71.01255	11.9
71.07197	1.6
72.01588	0.7
72.99155	2.3
73.02771	2.4
75.00698	2.6
81.03304	1.0
83.01221	1.4
85.02814	4.2
87.00714	1.3
88.98656	1.0
89.02327	4.2
93.03334	4.4
95.01233	1.4
96.35522	0.7
101.02325	5.4
103.00201	0.9
108.02060	5.9
109.02869	6.2
111.00726	0.9
113.02330	5.9
117.03313	2.5
119.03339	1.8
119.04863	3.3
121.01958	1.1
121.02842	16.5
122.03645	9.7
123.00803	0.7
123.04443	3.8
129.03325	1.1
132.01033	0.9
132.02054	15.3
133.02873	5.5
134.02684	1.5
134.03635	28.1
135.03592	0.8
135.04424	9.4
136.01544	1.6
137.02350	18.3
138.02652	0.9
145.02867	3.5
146.03633	0.8
147.04407	9.1
149.02310	1.0
149.05978	5.5
150.03082	1.5
151.03877	3.0
151.04944	0.8
152.01068	4.7
153.01781	1.3
153.05434	1.4
154.02701	3.5
159.04445	0.9
160.01569	67.9
161.02351	10.7
161.04527	1.5
161.05930	3.4
162.02875	0.7
163.03908	2.8
165.04144	1.3
165.05482	25.1
166.05855	0.8
167.03378	1.4
169.42050	0.7
174.03186	1.5
175.03915	83.6
176.04282	4.3
177.01759	0.9
177.05334	1.6
178.02562	1.8
179.03407	7.0
179.07004	8.6
181.04932	1.0
189.05501	1.1
191.03317	0.9
191.06979	1.8
193.03348	1.4
193.04993	19.9
194.05315	1.0
217.04999	1.1
235.05981	0.8
255.02953	1.0
284.03247	2.9
285.03952	1.2
313.14380	1.2
315.12424	1.9
316.13016	1.1
317.54346	5.3
318.04883	0.8
337.09265	100.0
338.09711	8.0
346.14288	7.5
347.14963	6.1
351.05490	0.9
358.61948	0.9
359.12317	3.2
359.62595	1.5
361.16553	51.4
362.17020	4.4
473.32596	1.3
505.18671	1.0
506.18970	1.1
507.19427	3.2
517.18494	1.2
518.19128	2.2
519.19177	5.0
669.18134	1.5
681.18408	2.0
699.26874	30.3
699.36475	2.2
700.27771	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	699.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80933	1.1
55.01731	1.2
57.10021	1.2
57.87855	1.3
59.01249	14.2
61.98699	2.1
66.34489	1.6
69.56271	5.3
71.01252	21.0
72.99181	6.0
73.02819	6.4
75.00743	52.5
83.01247	3.0
85.02816	9.1
87.00738	2.1
89.02318	7.0
89.02761	1.2
93.03371	1.5
95.01324	1.2
99.00749	5.5
101.02322	13.6
107.01277	1.3
111.00752	1.2
113.02341	8.5
119.03418	1.2
121.02854	1.5
126.67349	1.2
128.60379	1.2
129.01828	1.5
161.02283	2.9
161.04364	1.5
175.88829	1.4
209.11684	1.8
226.00746	1.2
237.06110	18.6
347.17123	2.8
461.20432	3.3
479.21408	5.6
580.31256	1.4
699.27167	100.0
700.27490	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	699.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	0.7
57.03336	1.0
57.04764	0.8
59.01253	19.7
61.98699	9.7
69.03327	2.8
71.01245	5.3
75.99570	0.8
78.95780	3.2
83.04884	1.0
85.02828	1.3
89.02328	3.4
98.19761	2.2
101.02292	4.4
110.98410	1.0
113.02349	2.3
119.03388	1.1
127.11150	1.1
135.04480	0.9
161.04477	2.5
167.10727	2.6
169.12279	7.2
171.10185	29.2
172.10590	1.7
179.05649	0.9
179.10713	1.4
179.14372	2.6
195.13826	8.3
197.11766	100.0
198.12042	5.0
205.12279	6.9
209.11766	3.8
211.13391	3.2
223.13351	77.8
224.13731	5.7
227.12886	1.0
235.08141	4.0
253.09279	10.3
255.23303	3.1
291.19702	4.7
293.21213	3.5
309.20718	10.6
433.20892	8.1
441.21225	2.5
459.22360	12.1
460.23267	1.4
463.24664	0.9
621.32977	1.5
639.33765	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	699.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.2
57.03334	1.6
58.00468	0.7
59.01252	100.0
61.98702	24.4
65.26218	0.7
69.71541	0.6
71.01256	24.7
72.99191	1.3
73.02826	5.9
75.00738	1.4
76.77068	0.6
78.95800	1.1
83.01267	3.3
83.04884	0.7
85.02820	11.8
85.03294	1.0
85.99997	0.8
87.00758	2.0
88.33108	0.6
88.98695	0.8
89.02314	7.7
91.83745	0.6
93.03363	1.1
95.01269	2.5
96.95892	1.2
97.02822	1.4
99.00764	2.6
101.02325	17.9
106.98817	0.8
109.64909	0.6
111.00758	1.3
111.93250	0.6
113.02322	10.7
119.03387	2.5
119.04919	0.7
123.04404	0.7
123.16725	0.8
129.01814	0.8
133.02814	1.9
135.04428	2.2
137.02359	2.5
143.03329	0.8
145.02913	1.1
159.02937	1.6
160.84523	0.7
161.02385	3.9
161.04454	7.6
163.03903	0.6
177.01952	0.8
179.03429	2.5
179.05569	1.1
209.11720	1.1
221.32162	0.6
230.09381	0.8
234.87233	0.6
300.70047	0.6
477.35901	1.7
489.32346	3.9
557.67377	0.7
603.39197	1.4
621.39771	2.3
622.40393	1.0
639.41113	95.5
640.41492	23.0
648.71265	0.6
663.37585	1.3
683.39459	3.0
684.41083	0.9
699.32220	0.9
699.42938	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00302	0.3
55.01754	0.4
57.03317	0.4
58.69016	0.3
59.01251	3.5
71.01255	2.5
71.31537	0.5
73.02818	1.0
78.95780	1.3
80.02558	0.7
81.03329	0.5
83.01278	0.7
83.04893	2.8
84.02042	0.5
85.02830	1.1
87.00749	0.9
89.02318	2.0
95.04855	0.4
97.02857	0.4
101.02328	3.2
110.98421	0.4
113.02332	1.8
119.03410	0.6
133.04906	0.4
135.08073	0.6
145.04973	0.5
161.02415	0.3
161.04446	1.2
163.11201	2.0
165.12767	1.2
171.10184	0.5
181.12425	0.3
191.10718	0.3
195.13834	0.4
207.10281	1.2
209.11778	59.9
210.12137	3.7
215.37488	0.3
223.13344	0.4
225.11322	2.8
227.12852	6.1
228.13162	0.3
235.08188	6.8
243.46489	0.3
253.09279	7.7
253.21713	100.0
254.22073	8.4
255.23271	7.4
256.23618	0.6
293.21243	3.3
295.22858	0.4
368.31415	0.4
443.18863	0.5
444.13300	0.3
463.24554	0.5
489.30664	0.6
498.74170	0.4
699.44672	1.4
700.45471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	6.6
61.98696	1.2
66.23523	0.7
71.01265	4.0
73.02821	1.6
75.92178	0.8
76.86823	0.8
78.95779	2.0
80.02569	0.9
81.03321	1.4
83.01260	1.1
83.04910	1.2
85.02795	1.2
87.00755	1.6
89.02311	1.6
97.02833	3.6
101.02309	3.4
109.06467	11.8
110.98421	1.3
113.02337	2.8
135.08040	1.9
136.05167	0.9
142.02547	1.3
161.04485	1.6
163.11174	7.7
181.12297	2.3
189.09111	2.1
207.10207	41.6
208.10553	3.2
210.26585	0.8
225.09242	1.3
225.11281	12.7
235.08139	4.9
253.09241	7.8
255.23260	100.0
256.23575	8.5
293.21259	6.2
443.19073	2.2
444.19525	0.8
461.20050	2.4
464.19498	0.9
522.81201	0.9
578.56946	0.8
699.43250	19.7
700.43475	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	699.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.2
57.03328	1.2
58.00471	1.2
59.01252	100.0
60.01586	1.1
61.98704	20.7
71.01255	21.9
71.51930	0.6
72.01602	0.8
72.99177	1.4
73.02830	5.9
75.00782	1.0
77.70338	0.5
78.95786	1.8
83.01257	3.0
85.02824	11.3
87.00774	1.7
89.02324	7.9
93.03355	1.5
95.01283	2.2
96.95893	1.0
99.00770	2.9
101.02324	14.9
104.61723	0.6
106.21976	0.5
111.00762	1.6
113.02332	10.1
114.02652	0.5
119.03391	1.9
119.04852	0.7
125.02367	0.7
129.01849	0.9
133.02863	1.8
134.03621	0.8
135.04430	1.6
137.02338	2.2
143.03395	0.8
145.02887	1.1
151.03935	0.7
159.02919	2.0
161.02411	3.7
161.04482	6.5
161.05766	0.9
167.03447	0.7
177.01958	0.8
179.03395	1.8
209.11827	1.2
254.51921	0.5
255.23315	1.9
293.21167	2.0
314.80466	0.5
345.15570	0.9
455.31638	1.0
457.33148	1.1
459.34784	1.2
463.24881	0.8
471.31363	0.9
477.35645	2.6
489.32208	7.3
490.32385	1.5
501.32516	0.9
533.31451	1.5
603.39148	1.8
621.39789	2.5
639.41113	84.3
640.41473	18.0
683.40265	2.5
699.34229	1.3
699.44031	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	699.461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	2.9
59.01244	14.6
68.76524	3.1
78.95775	38.5
89.31751	2.9
100.78068	3.2
110.98424	23.9
122.44461	2.8
128.67270	3.2
152.99504	12.3
160.81516	2.6
167.01096	14.1
168.28079	2.7
173.86513	3.2
195.13838	18.1
202.92816	5.2
205.12155	3.4
217.00218	10.2
223.13287	9.8
249.15053	2.8
249.22212	4.6
253.21825	4.8
255.23270	100.0
256.23581	8.6
275.20175	8.4
277.21692	5.8
291.20026	3.3
293.21243	99.6
294.21710	9.8
295.22824	21.7
423.25204	7.3
447.32025	3.4
463.25229	15.0
699.45898	37.2
700.46594	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	701.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19690	2.6
57.03319	3.5
59.01250	25.1
61.98704	8.3
65.00186	4.1
71.01252	55.4
72.99182	42.2
73.02823	7.5
74.27788	2.7
75.00747	20.9
83.01257	10.4
85.02821	41.6
87.00768	9.7
89.02331	13.0
89.08353	2.2
93.03333	2.4
95.01273	11.4
99.00735	19.7
101.02323	12.8
103.00259	14.6
107.01321	3.4
108.02055	2.7
109.02851	2.7
111.00787	5.4
113.02327	66.2
113.03074	4.5
114.02642	2.4
115.00241	7.0
117.01896	2.8
121.02811	2.8
123.00833	2.8
123.04456	3.5
125.02356	10.6
129.01819	3.7
131.03392	3.5
133.01401	3.9
133.02852	3.5
135.04407	11.8
137.02347	7.4
139.00282	10.4
141.01892	3.4
151.00276	12.8
152.01041	3.7
153.01854	6.5
157.01379	4.2
160.01559	3.4
161.02359	9.0
163.00275	5.3
165.01840	3.7
166.99722	4.2
167.03365	3.4
169.01292	5.1
175.02385	14.4
175.03870	6.1
175.25818	2.5
177.01767	3.4
178.99780	4.5
179.03380	9.4
181.01352	4.9
193.01450	3.9
193.03461	30.5
193.05028	4.2
197.00803	2.6
202.02765	2.8
205.01511	2.7
209.00822	3.6
217.05080	2.7
218.73183	2.3
219.02989	3.4
227.03452	8.4
242.02217	2.6
243.02972	9.4
255.02962	6.4
256.03760	8.5
271.02512	15.1
272.03168	11.3
282.01691	6.3
283.02402	3.6
284.03287	5.5
285.03943	6.5
287.05597	3.6
289.05634	4.8
298.04874	5.1
299.02017	22.2
299.05298	4.3
300.02618	12.7
303.04922	3.5
313.03516	7.8
314.04254	13.1
315.04996	9.3
316.02255	10.2
317.02924	10.1
331.04605	23.4
332.05338	4.7
349.05521	8.0
351.05661	100.0
352.05988	7.7
651.11829	8.8
701.11670	4.5
701.23340	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	701.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24353	0.3
59.01251	100.0
61.17439	0.3
69.94881	1.6
78.95778	0.7
94.73422	0.4
108.23826	0.4
152.99416	0.5
161.02348	0.6
161.90820	0.5
180.31985	0.4
195.13794	0.4
255.23247	1.7
295.22833	1.2
354.10287	0.4
423.11469	0.6
437.12448	0.9
438.13312	4.0
439.13708	1.0
451.14154	0.9
452.14716	2.0
453.15390	0.7
455.09915	0.7
465.15564	0.6
470.12384	0.9
480.14352	1.0
481.15182	28.5
482.15570	8.0
495.16785	10.7
496.17264	3.9
497.18411	5.3
498.18857	0.9
509.14630	0.7
514.14935	2.1
523.15967	0.9
525.14337	0.7
539.15717	1.5
540.16449	7.4
541.16772	1.9
554.18079	2.5
555.18866	50.1
556.19110	11.8
556.27722	0.8
567.18829	1.0
572.15527	13.2
573.15747	2.9
586.17126	6.0
587.17145	1.5
609.19763	1.7
627.20801	1.1
641.22504	24.1
642.22644	7.1
701.24658	51.3
702.24896	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	701.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.7
59.01253	16.3
60.99174	3.9
61.98699	10.6
62.54441	0.8
63.15515	0.8
69.03346	1.0
70.22385	0.8
70.49738	1.4
70.50078	1.2
71.01252	18.6
71.04886	9.7
72.97393	1.2
72.99172	2.5
73.02814	3.6
75.00746	1.3
78.95780	4.3
83.01261	3.1
85.02811	7.5
87.00761	2.0
89.02324	10.4
91.28910	0.8
93.03355	0.8
95.01242	1.6
97.06464	1.3
99.00764	1.4
101.02326	13.4
109.02851	3.0
113.02343	8.4
119.03380	3.2
120.99530	0.9
121.02850	1.2
123.00823	0.9
133.02817	1.8
135.04427	3.3
136.01578	1.5
137.02332	3.1
143.03391	1.1
145.02837	2.0
149.02260	1.0
150.03165	1.0
151.03947	2.0
152.99493	4.0
159.02988	1.1
159.04405	1.1
160.05222	2.0
161.02335	4.2
161.04462	5.4
161.05775	1.9
163.03903	1.9
166.02689	1.3
175.07561	2.9
178.91107	0.8
179.03419	2.7
179.05486	2.5
179.07074	1.3
181.04979	6.3
183.10258	1.4
185.11772	2.3
193.05013	1.5
197.02173	3.2
198.30617	0.9
205.15900	5.6
220.45036	0.9
255.07686	1.2
283.07263	1.6
293.21115	1.9
295.07184	1.8
309.08749	1.1
311.22275	1.0
315.09888	1.7
329.13480	4.2
329.16086	9.9
337.08148	1.0
337.25281	1.6
339.26852	1.1
347.17114	19.4
348.17365	1.4
351.26849	1.7
355.26331	1.9
369.28027	2.5
373.13010	1.7
379.29935	1.2
407.29495	1.6
409.31100	2.8
413.26431	1.2
423.27155	1.0
423.32764	18.8
424.32904	3.9
437.30563	1.2
439.32285	5.4
440.32227	1.1
441.33719	100.0
442.34052	16.6
455.31711	4.7
459.34741	3.9
473.27219	2.3
473.33017	10.3
474.33258	1.1
485.32736	75.2
486.33142	12.9
501.32397	2.5
503.33765	33.4
504.34161	5.4
665.37714	1.2
701.28931	16.4
702.29144	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	701.368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.8
58.35986	2.0
59.01252	25.2
61.98706	37.6
71.01257	19.4
71.51580	3.1
73.02822	4.0
74.98957	6.8
78.95775	3.2
83.01250	3.8
83.04897	2.0
85.02816	7.9
87.00731	6.0
89.02335	10.7
95.01274	2.0
95.04896	1.9
99.00771	3.4
101.02339	13.9
106.30113	1.6
113.02318	8.1
116.92728	1.6
119.03397	4.3
119.04835	2.3
121.02805	1.8
123.04393	2.0
133.02831	6.5
135.04372	4.8
137.02295	2.3
147.04306	1.8
149.02292	2.0
161.02370	14.0
161.04462	3.5
171.10141	3.4
179.03377	6.4
181.37872	2.1
187.07542	2.2
197.11679	2.5
207.10237	3.4
209.11760	12.5
211.13336	2.0
218.92583	1.7
220.29539	1.8
224.79794	1.7
225.11224	4.2
255.23253	4.8
273.16974	3.1
295.22745	5.0
311.44275	2.0
317.21085	2.1
343.17825	1.7
362.90265	1.9
485.31561	2.0
503.33136	3.8
665.39130	100.0
666.39453	22.1
701.36511	38.0
702.36896	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	701.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80369	0.2
59.01249	2.3
71.01256	2.5
73.02840	1.0
80.02557	0.4
81.03373	0.5
83.01276	0.6
83.04891	2.6
84.02071	0.3
85.02833	0.6
87.00747	0.6
89.02320	1.4
92.76411	0.3
95.01260	0.4
95.04900	0.5
97.02840	0.4
98.19661	0.4
101.02318	2.4
113.02328	1.5
116.32377	0.3
119.03416	0.6
129.01808	0.3
133.04950	0.3
133.82062	0.2
135.08180	0.2
143.03426	0.4
145.04973	0.5
159.99821	0.2
161.04485	1.1
163.11176	1.6
165.12782	1.0
181.12146	0.4
184.77782	0.3
191.10727	0.7
209.11777	58.4
210.12120	3.4
227.12833	6.5
228.13332	0.6
235.08182	5.7
253.09267	7.2
254.09599	0.5
255.23271	100.0
256.23633	7.9
491.32129	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.0
59.01243	1.8
60.72890	0.4
61.98693	0.5
78.95776	21.5
79.95605	0.9
80.96361	0.8
97.06478	0.7
103.74569	0.4
110.97645	0.7
110.98412	14.4
113.09624	2.3
123.17631	0.4
135.04465	0.4
137.15462	0.4
139.96722	0.4
152.99503	1.7
167.01054	5.6
171.10124	0.9
177.12692	0.4
179.14328	1.3
181.12317	0.5
185.02113	0.6
195.13829	18.9
196.14175	1.1
234.08611	0.4
255.23270	72.6
256.21167	0.2
256.23627	8.2
257.23730	1.1
277.21716	15.9
278.22067	1.6
282.93964	0.4
293.21304	2.2
294.21573	2.7
295.22769	100.0
296.23093	10.6
297.24115	0.7
309.63699	0.4
387.99200	0.4
405.24167	0.9
423.25226	6.9
424.25595	1.1
445.23392	0.8
463.24719	1.1
465.26379	0.6
701.47632	32.0
702.47888	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	703.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34829	5.8
59.01244	21.8
61.98703	100.0
69.30367	54.0
71.01250	24.2
74.35785	6.1
78.95783	31.2
89.02337	10.2
98.20515	10.1
101.02313	12.4
104.98831	5.6
109.06463	27.9
113.02361	9.0
114.86092	6.5
116.66374	6.1
119.50480	5.8
133.02797	7.4
135.04376	8.6
152.99513	12.0
161.02298	8.7
163.11244	16.2
171.10132	15.2
179.03345	8.2
195.13863	7.5
197.11684	8.0
205.12451	6.6
207.10226	74.1
209.11812	14.2
223.13341	80.4
224.13763	8.0
225.11258	51.5
235.08199	7.5
253.09428	12.7
280.80753	8.2
288.47168	6.2
395.22324	11.1
413.23346	30.5
431.24432	11.0
443.19388	7.3
444.93445	7.8
461.20236	28.9
617.17932	6.6
631.31396	9.3
649.32117	85.2
650.32642	21.2
667.33319	81.6
668.33734	22.9
703.31433	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55906	1.4
57.03330	1.5
58.00463	1.3
59.00954	2.7
59.01252	48.7
60.99843	1.4
61.98701	9.8
69.03342	1.7
69.17847	4.4
69.18271	7.1
71.01255	29.3
72.99182	3.8
73.02818	17.5
78.95771	2.1
81.03319	2.6
83.01253	6.3
83.04895	7.3
84.02040	2.0
85.02822	7.0
87.00738	3.4
89.02315	14.8
95.01272	1.8
95.04918	2.0
97.02831	4.1
99.00768	2.8
101.02320	22.3
109.06496	14.8
111.00774	2.0
113.02318	12.5
118.96043	1.4
119.03384	5.2
121.06506	1.2
125.02339	2.0
125.09566	2.1
131.03339	2.3
133.02850	3.2
135.04398	3.8
135.08006	2.8
137.02341	2.0
143.20967	1.4
151.70070	1.3
159.87936	1.1
161.02390	8.2
161.04483	4.0
161.09567	1.6
163.03850	1.5
163.11197	8.0
163.12306	1.4
165.12718	1.4
171.10165	2.2
173.82753	1.2
179.03421	4.8
179.05574	1.7
181.12282	3.0
197.11830	2.9
204.70769	1.3
205.15776	1.6
207.10196	34.7
208.10553	1.7
209.11765	64.8
210.12117	3.0
223.13293	2.1
225.11278	20.1
226.11635	1.7
227.12843	6.9
235.08171	2.6
243.12378	2.2
253.09268	5.1
275.20105	7.6
293.21216	23.1
294.21375	1.6
337.81876	1.4
399.21518	3.3
417.22650	2.5
437.25287	2.1
443.19000	2.2
455.26459	13.9
456.26749	2.5
461.20218	6.2
479.26398	5.1
497.27567	100.0
498.27939	14.6
514.30347	1.6
617.32355	1.5
635.30792	5.2
636.30811	1.7
653.31921	7.9
659.32751	17.0
660.33173	3.7
671.32648	12.0
672.33368	2.3
685.30969	1.7
703.34644	4.1
714.80011	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	703.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36000	0.3
53.53713	0.3
59.01249	3.2
61.98379	0.5
61.98701	7.2
69.98388	0.3
71.01251	2.3
72.99191	0.5
73.02858	0.8
78.95808	0.3
79.95164	0.5
79.95612	4.1
85.02832	1.1
87.00758	0.4
89.02308	1.4
93.03320	0.5
95.01265	0.4
96.95891	100.0
97.95818	0.3
99.00790	0.4
101.02333	1.3
108.02094	0.4
108.84845	0.3
110.02310	0.3
113.02329	1.9
115.62486	0.3
117.03346	0.5
119.03383	0.5
119.04906	1.4
121.02805	0.5
122.03623	0.3
123.04412	0.7
132.02077	0.5
133.02844	1.9
134.03629	1.3
135.04387	1.7
136.01500	0.3
137.02327	1.1
145.02870	2.0
147.04393	0.5
149.02344	0.8
150.03125	3.0
160.01564	1.8
161.02362	3.8
163.03931	1.2
165.05504	2.2
171.10217	0.5
175.03922	2.7
176.04666	0.7
179.03441	2.9
191.07059	1.3
193.04968	0.5
195.06523	1.0
197.11655	0.7
215.06940	0.3
225.11301	0.3
239.08107	0.3
255.06747	0.4
345.13342	0.9
361.16486	0.6
375.14661	0.4
411.31436	0.3
455.31982	0.3
490.02243	0.3
503.33487	0.9
507.22293	3.1
508.22623	0.5
600.30573	0.4
667.39063	4.4
668.39844	0.8
703.32074	38.0
704.32556	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	703.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14356	0.9
59.01250	10.9
60.40007	0.8
61.98690	2.8
63.20887	0.8
63.93540	0.9
67.39885	0.9
69.03323	0.8
71.01246	8.1
72.99186	1.1
73.02831	1.5
73.42738	0.8
80.02566	2.1
81.03342	3.5
83.04898	8.0
84.02033	1.0
85.02805	1.4
87.00758	1.3
89.02316	3.6
89.05954	0.8
97.02842	5.4
99.00739	1.2
100.23377	0.8
101.02328	4.8
102.64243	0.9
109.06485	27.1
110.06812	1.0
113.02337	3.8
121.06487	2.3
125.06021	0.9
125.09615	2.2
133.02844	1.1
135.04440	1.6
135.08051	3.9
142.02684	1.2
148.50055	0.9
158.80954	0.8
160.88091	0.9
161.02347	2.0
161.04547	1.7
161.09634	1.9
163.11220	21.1
165.12775	2.6
171.10216	1.1
179.03384	1.1
181.12276	4.4
185.11807	2.6
189.09160	1.6
207.10220	62.6
208.10562	3.6
209.11774	100.0
210.12119	5.8
211.13402	1.2
225.11292	31.4
227.12794	13.0
228.13309	0.9
231.10211	1.1
235.08223	2.7
247.13318	1.2
249.11377	1.6
253.09285	11.2
265.14499	1.7
399.21863	5.4
417.22656	4.6
443.19202	3.5
448.73856	1.2
461.20255	9.5
609.53992	1.1
635.30640	12.4
636.30878	3.1
647.82092	0.9
653.31885	12.7
654.32080	1.9
671.32904	24.2
672.33173	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	704.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31003	0.1
59.01251	7.1
60.01588	0.5
61.01675	0.2
61.98705	100.0
62.39255	0.1
62.98410	0.2
70.53220	0.3
70.53563	0.2
78.95783	0.2
80.58328	0.2
110.67529	0.1
121.09792	0.1
121.42673	0.1
454.29077	0.1
481.15115	0.2
482.15100	0.3
483.15421	0.9
484.15555	1.3
497.16925	0.3
498.17212	0.6
499.18665	0.3
500.18542	0.3
542.16412	0.3
543.16669	0.4
556.19043	0.4
557.18799	1.5
558.19165	2.9
574.15527	0.5
575.16064	0.7
588.16669	0.2
589.17828	0.4
643.22931	0.3
644.22888	1.5
703.24896	0.6
704.24603	5.1
705.24475	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75128	0.4
55.01751	0.6
57.03313	1.0
57.62839	0.4
58.00466	0.8
59.01253	11.6
60.51691	0.4
61.98703	6.5
69.03368	0.5
69.30650	3.3
69.32442	0.4
71.00899	0.7
71.01260	9.5
72.99183	0.9
73.02825	2.2
74.02332	1.0
75.00751	0.9
80.36745	0.4
81.03318	0.4
83.01260	1.3
83.04902	1.2
85.02825	4.7
87.00764	1.4
89.02318	4.2
93.03355	0.6
95.01275	1.3
96.95902	0.6
98.19797	0.5
99.00753	1.0
101.02322	6.3
109.02857	0.9
111.00786	0.5
111.04402	0.6
113.02335	4.6
117.03352	37.5
118.03691	1.7
119.03467	1.4
119.04918	28.7
120.05243	1.0
121.02843	0.8
125.02342	0.7
127.03888	1.1
133.02853	3.4
135.04454	2.5
137.02330	1.4
143.03413	0.8
145.02858	100.0
146.03203	4.8
147.04410	0.5
160.01585	0.5
161.02368	6.7
161.04486	1.1
161.05917	0.6
162.02673	0.6
163.03925	40.0
163.11270	0.6
164.04268	2.4
169.12175	0.5
171.10188	1.0
172.05113	0.6
174.03035	0.5
177.05365	0.4
179.03419	1.4
179.05568	0.4
183.10228	0.4
185.05956	0.7
187.07599	1.1
192.04283	0.4
197.11803	1.1
199.13396	0.8
202.91432	0.4
205.05031	0.6
207.10228	0.9
209.11777	4.2
213.09103	0.6
215.07170	1.0
218.21872	0.4
225.11263	1.3
227.12798	2.3
229.08673	0.8
253.09254	0.6
257.08215	2.3
269.04620	2.3
289.18127	0.8
296.06058	0.5
415.16022	0.5
421.31470	0.8
439.31860	0.5
456.93866	0.5
483.31296	0.5
501.32208	12.0
502.32553	2.0
505.35114	0.6
541.26733	1.5
559.27637	1.9
601.39899	1.1
605.74957	0.4
627.37604	2.9
628.38019	0.6
629.22229	1.2
630.22705	0.5
633.30920	0.5
673.24774	2.5
687.31549	1.1
705.31464	56.6
706.31421	12.6
725.98804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	14.9
61.98704	77.3
69.26192	7.5
69.26609	14.8
71.01250	8.4
73.02801	3.2
74.92417	2.3
75.00703	2.7
78.95802	6.8
83.04903	3.3
85.02816	4.1
101.02341	8.2
113.02329	3.1
120.87192	2.6
121.02811	2.6
152.99467	3.2
161.02373	8.2
161.04419	3.5
163.11256	3.6
174.88948	3.5
179.03398	7.1
186.14417	3.0
197.11780	12.8
205.12354	4.6
207.10217	3.8
209.11777	100.0
210.12102	7.0
223.13358	53.0
223.15390	4.0
224.13670	4.1
225.11382	2.8
227.12881	24.8
235.08093	2.6
253.09306	11.1
312.49747	2.6
445.20853	8.8
459.22440	6.3
483.31015	3.0
645.36719	3.8
651.33258	7.5
669.35663	4.0
705.32837	25.9
706.33221	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	705.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	46.2
60.49019	0.7
61.98703	5.8
65.02024	0.8
69.34197	2.7
69.34622	2.6
71.01256	6.7
72.45942	0.8
73.02821	1.5
75.00733	0.9
80.02534	1.1
81.03352	1.4
83.04894	6.0
85.02820	2.5
86.24747	0.7
87.00769	1.5
89.02311	3.4
95.01286	0.8
97.02843	1.3
98.19881	2.2
98.20568	1.7
99.00771	1.7
101.02330	4.3
109.06493	1.9
113.02337	3.6
119.04956	1.0
125.09673	0.8
133.01271	0.8
133.02858	1.3
134.03767	1.0
135.04439	1.8
136.01515	0.8
136.11136	0.7
137.02335	1.6
145.02846	2.0
160.01523	1.6
161.02347	2.6
161.04439	1.0
163.03894	1.2
163.11188	3.7
165.12743	3.1
169.12186	1.2
171.10165	3.8
175.03961	1.3
179.03444	1.6
182.77086	0.8
191.10626	0.8
192.72823	0.7
193.04994	1.4
197.11798	1.0
199.13281	0.8
201.11240	2.4
207.10265	1.9
209.11775	100.0
210.12138	6.0
223.09631	1.2
225.11337	1.8
227.12842	15.6
228.13222	1.1
235.08287	1.7
253.09258	6.2
439.32007	5.1
445.20712	1.1
471.31137	1.9
535.03760	0.8
571.45251	0.8
591.63599	0.9
601.39844	0.9
627.37744	1.8
637.32770	1.5
645.37994	1.2
663.37476	2.4
687.32202	1.9
705.32507	3.2
706.36536	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25679	0.8
59.01250	7.1
59.36825	0.8
61.98722	0.9
69.31300	5.8
69.31712	1.2
71.01263	2.3
72.99163	1.2
73.02851	0.8
77.84268	0.8
80.02577	1.0
81.03326	1.2
83.04901	4.8
85.02809	1.7
87.00745	1.1
89.02333	1.7
95.04928	0.9
101.02345	3.4
113.02328	3.1
117.03365	1.0
119.04934	1.5
135.04472	2.1
145.02843	3.2
161.02417	1.7
163.03845	1.2
163.11230	3.6
165.12741	3.0
171.10245	1.9
179.03366	2.3
191.10745	1.3
209.11775	100.0
210.12164	7.3
227.12833	14.0
228.13173	1.6
235.08406	2.0
253.09349	5.3
315.28265	0.8
445.21005	1.0
705.32428	2.9
736.85236	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35898	0.1
58.46908	0.1
59.01244	0.9
60.39477	0.1
61.98701	100.0
62.98391	0.1
63.19562	0.1
70.58704	0.1
71.01254	0.6
71.06994	0.2
72.99196	0.2
77.72218	0.1
83.01274	0.1
83.04902	0.2
85.02850	0.2
87.00790	0.1
88.98700	0.3
89.02346	0.3
97.02813	0.1
101.02322	0.3
106.58938	0.1
113.02330	0.3
113.72904	0.1
115.58401	0.1
118.97987	0.1
119.03405	0.1
135.04440	0.2
137.02359	0.2
145.02885	0.2
147.08061	0.1
152.99495	0.2
161.02397	0.2
161.04500	0.1
165.12796	0.1
168.17703	0.1
169.12268	0.2
171.10248	0.3
179.03413	0.1
183.13849	0.8
184.14192	0.2
197.11795	0.2
198.42934	0.1
207.10342	0.1
209.11763	1.0
210.12177	0.4
211.99051	0.1
216.27390	0.1
225.11406	0.2
227.12817	0.2
228.13219	0.1
235.08188	0.1
286.57706	0.1
309.20676	0.8
357.11176	0.1
397.13443	0.1
406.83841	0.1
415.14627	0.3
485.32907	0.7
500.29520	0.2
615.22046	0.1
647.38043	0.1
674.34979	0.9
675.35266	0.1
706.37250	0.2
707.37982	0.2
734.54303	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	707.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67689	0.7
55.01747	1.0
57.03328	0.9
58.00456	1.9
59.01251	32.6
61.98695	3.1
69.01543	0.6
69.03346	1.2
71.01254	19.8
72.99169	1.6
73.02810	2.8
78.95781	0.8
79.19028	0.7
79.73927	0.6
81.03325	1.0
83.01270	2.2
85.02822	4.0
87.00755	3.2
88.98663	1.2
89.01764	0.9
89.02318	19.0
90.98494	0.7
95.01263	1.9
97.02827	2.8
97.06444	0.8
99.00735	1.3
101.02331	14.2
109.06486	0.7
111.08046	9.7
113.02335	6.2
117.03359	2.0
119.03397	5.9
119.04858	1.7
125.02331	3.0
127.07509	1.0
131.03326	1.5
133.02895	1.4
135.04419	1.8
137.09595	0.7
143.03407	1.9
145.02866	4.8
149.04465	0.8
153.12816	1.3
161.02348	2.5
161.04504	2.7
163.03944	1.7
165.12775	1.0
169.12257	4.4
177.01860	1.6
179.03474	2.0
179.05573	4.0
181.12233	1.7
183.13780	0.8
189.26715	0.7
193.12282	0.9
197.11780	47.8
198.12086	2.6
199.13342	3.0
209.11792	5.5
210.12164	3.1
211.13438	6.1
221.06516	1.1
223.16852	0.9
227.12904	2.4
229.66319	0.7
235.08167	3.0
247.20659	0.8
253.09354	2.2
263.07834	0.8
263.20175	3.7
273.18549	1.3
287.07782	0.7
291.19650	15.0
292.20038	1.3
305.09006	0.9
309.20715	100.0
310.21069	8.2
323.09766	0.9
397.13498	18.9
398.13757	0.9
415.14587	32.2
416.14890	3.4
485.33063	3.3
539.60742	0.8
647.38068	0.7
707.32739	3.3
708.35059	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28527	0.6
55.01752	1.4
57.03312	1.3
58.00475	2.1
59.01252	36.5
61.98706	4.7
69.03321	2.0
71.01253	23.3
72.99176	1.9
73.02811	2.7
73.79852	0.6
74.22910	0.6
75.00733	1.4
81.03310	1.0
83.01251	2.4
83.04893	2.2
85.02825	5.6
87.00748	4.5
89.02323	19.9
93.07014	0.7
95.01234	1.3
97.02836	5.5
98.19788	2.2
99.00747	2.1
101.02325	14.8
105.35126	0.7
108.30695	0.7
108.46174	0.7
109.06473	0.9
111.08051	10.9
113.02335	9.6
117.03348	10.2
119.03409	5.4
119.04921	7.8
121.02865	1.1
125.02363	4.2
125.09589	0.9
126.44572	0.7
127.11201	0.8
133.02795	0.8
135.04391	1.1
137.09570	0.9
139.03905	1.4
141.01852	0.8
142.02463	0.7
143.03394	3.0
145.02855	28.8
146.03271	1.3
146.13219	0.7
149.04465	0.7
153.12741	1.0
161.02338	1.9
161.04440	2.9
161.05902	1.6
163.03917	12.0
169.12288	5.3
171.10179	2.4
179.03445	0.8
179.05528	5.2
181.12230	1.0
183.13742	1.3
197.11769	54.6
198.12085	3.1
199.13297	3.7
205.05029	1.4
209.11737	3.6
210.12109	1.2
211.13358	5.6
221.06595	1.9
227.12816	1.7
235.08305	5.3
247.20493	0.9
253.09326	1.3
263.07620	0.9
263.20160	2.5
265.18048	1.6
273.18619	0.9
291.19672	15.7
292.19974	1.2
305.08569	1.3
309.20712	100.0
310.21097	8.6
397.13492	26.0
398.13889	3.0
415.09076	1.7
415.14578	33.5
416.14966	2.9
439.32034	0.8
485.32718	16.9
486.33316	1.9
707.32648	19.3
708.33105	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73803	0.3
58.00473	0.6
59.01252	17.5
60.68682	0.3
61.98703	4.7
63.99051	0.3
65.78928	0.3
69.17531	2.7
69.17933	0.5
71.01250	5.1
73.02818	1.0
75.30089	0.3
75.67458	0.3
82.52978	0.3
83.01251	0.3
83.04906	1.6
85.02829	0.9
88.98630	0.3
89.02336	1.6
95.04926	0.3
97.06431	0.4
100.16027	0.3
101.02319	2.3
104.72996	0.3
113.02366	2.0
117.03357	4.8
119.03387	1.2
119.04929	2.7
133.02850	0.8
135.04391	0.3
137.02379	0.7
145.02861	13.2
146.03177	0.6
154.78018	0.3
161.02283	1.5
161.04474	0.8
161.05988	0.5
163.03905	4.2
163.11209	0.4
171.10162	2.3
179.03389	0.7
186.98083	0.3
199.09731	0.4
201.11264	1.6
207.10194	0.7
209.11803	4.1
210.12144	0.6
219.71315	0.3
225.11232	0.8
227.12816	0.5
253.09381	0.3
401.28455	0.6
403.30231	0.4
405.31842	0.4
407.29626	1.1
409.31339	1.8
419.29938	0.6
421.31155	3.8
422.31555	0.5
423.32690	0.9
425.30545	0.9
437.30591	0.4
439.32086	0.4
441.33759	6.2
442.33856	1.0
453.30252	1.4
457.33298	2.6
458.33408	0.5
459.34772	0.4
461.19992	0.4
467.31555	3.6
468.31918	0.7
473.32632	2.1
474.32770	0.5
485.32739	38.6
486.33081	6.8
499.34094	0.4
503.33789	100.0
504.34149	17.8
523.91272	0.4
527.33905	0.6
545.34802	0.6
647.37738	0.4
707.32831	8.2
708.32806	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.5
56.11803	1.0
57.03317	3.8
58.00457	3.4
59.01252	91.8
59.03058	1.0
60.01567	1.2
60.99177	2.1
61.98704	8.7
66.06218	1.0
67.01822	1.1
69.03326	3.2
69.28034	5.1
69.28456	3.8
71.01256	36.1
71.04892	10.5
72.99180	4.3
73.02805	6.4
73.98299	1.0
75.00739	2.8
76.16133	1.3
78.95757	1.6
81.03340	2.3
83.01264	2.8
83.04901	2.2
85.02831	11.6
87.00758	4.5
88.98700	5.5
89.02319	33.3
89.02841	2.4
95.01262	2.6
97.02839	13.3
97.06480	2.8
98.20515	2.1
99.00777	3.3
101.02328	28.1
111.08035	1.2
113.02332	16.4
117.03349	18.8
118.03740	1.5
119.03401	10.1
119.04892	12.2
123.08024	1.5
125.02347	5.2
125.09620	2.8
131.03578	1.3
133.02858	2.7
135.04381	2.1
137.02254	1.3
137.09618	3.6
139.03937	1.3
143.03406	3.8
145.02859	56.9
146.03172	3.8
149.04477	1.7
152.99525	1.2
153.12679	1.1
161.02339	5.8
161.04443	7.7
163.03926	13.9
163.11153	2.8
165.12769	6.3
171.10176	8.1
179.05524	5.2
179.14462	1.5
181.12311	1.6
183.13899	1.6
185.11781	1.4
186.80009	1.1
193.12279	1.7
197.11790	6.2
205.16035	2.6
209.11768	8.0
210.12158	2.1
211.13370	2.4
221.06662	2.2
225.11359	1.9
227.12852	3.9
235.08070	6.3
247.20575	3.6
253.09239	2.3
267.25470	1.2
273.18597	2.8
287.07666	1.4
291.19669	41.8
292.20007	4.2
305.08810	1.6
309.20712	100.0
310.21033	10.8
323.09891	1.4
357.23901	1.2
367.26633	1.8
379.30402	1.4
397.13513	41.8
397.30988	1.8
398.13843	3.6
407.29562	2.0
415.14569	39.1
416.15128	3.1
423.32666	10.6
424.33328	2.1
437.30774	3.3
439.32144	14.4
440.32233	1.3
441.33752	41.9
442.34067	4.1
455.31653	12.4
473.32703	74.9
474.33179	10.7
483.31192	3.4
485.32724	27.3
486.33344	5.7
491.33853	1.8
503.33643	13.2
517.31805	2.7
527.33698	2.6
707.32727	33.0
708.33179	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	707.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	1.2
59.01256	18.3
60.01580	0.5
60.99188	0.7
61.98706	6.2
66.04853	0.3
69.16853	3.4
70.16537	0.3
71.01258	3.5
72.99192	0.4
73.02820	0.9
78.95807	0.4
83.01283	0.7
83.04922	0.5
84.79913	0.3
85.02349	0.4
85.02827	1.4
87.00736	0.5
88.98679	0.6
89.02322	2.4
95.01263	0.5
97.02796	0.4
97.06481	0.8
98.20604	0.6
99.00768	0.6
101.02327	2.4
102.69855	0.4
109.06487	0.6
110.61567	0.3
113.02338	2.2
117.03335	1.3
118.76981	0.4
119.03408	1.6
135.04395	0.4
145.02859	3.0
161.02332	1.1
161.04478	0.7
163.03873	0.9
163.11205	0.7
179.03416	0.5
179.05553	0.7
189.12878	1.0
207.10237	2.1
209.11806	3.7
210.12172	0.8
225.11240	1.3
227.12834	0.9
239.38002	0.4
253.09380	0.8
305.21201	3.2
391.26059	0.6
391.30429	0.7
409.27011	1.9
421.31046	1.6
422.27646	0.4
423.25293	0.6
423.32990	0.7
425.30817	1.0
437.30652	5.1
438.31210	1.0
439.32202	13.4
440.32529	1.6
441.26889	0.8
441.33820	4.6
442.33862	0.7
453.30136	1.9
455.31732	11.1
456.31985	1.9
457.32986	1.1
459.34558	0.4
467.31750	1.3
468.32532	0.4
469.24792	0.4
471.31241	4.5
472.31329	0.7
473.32748	100.0
474.33096	15.9
483.31055	2.8
484.31601	0.8
485.32806	15.5
486.33240	2.0
491.33899	4.1
492.34183	0.5
499.30783	0.7
503.33932	0.6
517.31781	19.1
518.32208	3.3
527.34039	3.1
528.34442	0.8
635.31049	1.0
647.37903	1.7
653.31653	1.1
671.33386	2.0
679.36591	0.4
707.32202	1.6
707.40051	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03278	1.0
59.01254	17.4
60.03831	1.1
61.98702	100.0
68.90395	1.1
71.01249	9.7
71.04919	1.2
71.39180	1.6
72.02801	1.0
72.99174	2.4
73.02808	2.6
74.71841	1.1
75.00740	1.1
78.89382	1.0
79.15305	0.9
83.01247	1.7
85.02828	4.2
89.02318	3.9
99.00773	1.9
101.02318	7.2
108.02060	1.3
108.14681	0.9
113.02345	4.2
119.03413	1.8
119.04897	6.5
121.92286	1.3
132.02042	1.1
133.02818	2.3
134.03615	4.7
135.04405	1.6
137.02368	2.1
145.02869	3.0
145.52599	1.0
160.01553	7.6
161.02364	4.0
161.04543	1.8
163.03908	4.2
167.03459	1.2
175.03911	8.0
179.03366	1.9
179.05469	1.1
187.07808	1.6
191.06998	1.1
193.04985	4.2
209.11761	1.3
235.05978	2.0
374.12390	1.2
484.71399	1.3
485.33014	6.8
486.33279	6.0
487.29453	1.4
487.34302	4.5
501.32465	2.0
503.33801	69.3
504.34015	10.6
577.69598	1.2
605.35291	2.9
623.36755	1.7
687.67365	1.2
690.33551	2.3
708.39117	7.3
709.30054	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	709.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56244	0.4
55.01761	0.6
57.03326	2.5
59.01249	8.3
61.98703	1.7
68.05486	0.5
69.42435	2.7
71.01255	16.8
72.99197	1.1
73.02826	2.0
75.00758	1.0
83.01273	1.0
84.02066	0.7
85.02823	19.9
85.51125	0.5
88.32775	0.5
89.02325	4.5
93.03301	0.7
95.01266	6.3
96.95892	1.1
97.02814	0.6
99.00745	1.3
101.02311	2.5
105.03300	0.9
107.04900	1.1
113.02333	32.6
114.02658	0.7
117.03352	1.8
119.03381	0.7
119.04925	1.9
123.04417	1.6
125.02347	0.6
132.02060	2.1
133.02856	30.1
134.03683	7.7
135.04419	56.9
136.04773	2.2
137.02324	1.9
143.03424	0.8
145.02853	2.0
147.04443	0.5
149.06023	0.6
151.03979	0.6
152.46556	0.5
160.01608	2.5
161.02354	71.8
162.03096	8.0
163.03937	1.8
175.03885	3.0
177.05444	0.9
178.02524	0.6
179.03421	43.1
180.03806	2.0
181.04955	0.7
189.01866	12.1
193.04979	2.4
194.02147	2.4
203.03409	1.0
221.04503	17.8
221.81422	0.5
222.04836	0.9
239.05515	1.8
251.05602	0.6
272.83896	0.5
401.10843	0.6
404.56238	0.5
487.30664	0.9
547.16583	18.5
548.16913	1.9
637.21027	1.0
691.25067	0.6
709.19788	100.0
710.20135	19.7
710.32562	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	10.6
59.25142	0.4
61.98701	3.6
66.73072	0.4
71.01255	5.5
72.99187	1.0
73.02804	0.6
83.01258	0.6
85.02809	2.3
87.00769	0.8
89.02299	4.2
89.03854	1.1
93.03330	0.5
95.01259	0.6
99.00789	0.5
101.02332	3.5
104.02563	0.6
105.03358	0.5
108.97811	0.5
113.02318	1.9
117.03356	3.6
119.03406	1.5
119.04929	1.0
119.39973	0.4
125.77749	0.5
132.02065	21.9
133.02876	3.7
134.03635	43.4
135.04297	1.8
137.02327	1.6
145.02847	1.3
147.04414	0.6
149.05986	4.2
160.01569	91.7
161.02162	6.2
162.03069	0.4
163.03836	0.6
175.03923	81.2
176.04259	4.8
177.01869	1.0
177.05580	0.5
178.02631	1.2
179.03412	2.8
187.22105	0.4
191.07008	1.4
193.04999	34.0
194.05362	1.8
221.04378	0.6
225.87476	0.4
235.06087	3.4
244.02257	0.5
258.20404	0.5
265.07156	1.0
272.35144	0.4
281.06638	1.0
295.08228	1.0
317.54391	0.6
436.87372	0.5
487.29898	0.7
529.24304	1.5
709.30725	100.0
710.31061	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	709.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00473	0.9
59.01250	35.1
61.98705	9.0
71.01246	5.9
73.02847	0.9
78.95779	12.2
83.01252	1.3
83.04891	1.8
85.02809	1.6
89.02312	3.2
96.96837	2.6
97.29665	1.1
97.75500	0.9
98.50198	0.8
101.02347	4.3
113.02333	3.0
117.03390	1.4
119.03410	1.8
132.02095	1.8
133.02824	1.2
134.03607	3.6
135.04356	1.1
139.12628	1.0
141.35667	1.0
141.81792	0.8
145.02838	2.4
151.03879	1.1
160.01556	11.4
161.02367	2.2
161.04422	1.8
163.11203	1.4
165.12733	2.1
171.90063	0.8
175.03947	10.5
179.03448	6.8
179.04865	0.9
179.05490	0.9
193.05063	2.3
209.11772	100.0
210.12082	8.8
227.12828	30.3
228.13205	1.7
235.08179	3.1
253.09254	7.7
310.21072	1.4
337.09308	12.2
338.09378	1.1
362.58087	1.0
389.28802	1.8
423.32565	1.1
445.20828	4.0
463.22269	1.1
469.27008	1.7
469.33224	25.9
470.33331	2.9
486.32782	1.7
487.34332	63.9
488.34708	7.9
503.33707	3.2
505.18466	1.1
547.26794	1.5
637.32037	1.6
649.38898	1.2
673.34839	1.2
709.21173	2.6
709.31818	21.2
710.32190	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	709.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.5
57.03327	0.8
59.01249	8.6
61.98703	5.5
64.51127	0.5
69.28555	3.4
71.01250	7.1
71.04877	1.9
72.99173	1.0
73.02828	1.0
75.00759	0.7
83.01263	1.1
85.02808	2.4
87.00740	1.1
89.02304	3.6
95.01255	1.0
96.95873	1.3
96.96804	0.5
98.20592	0.9
99.00754	1.2
101.02303	3.4
105.35194	0.5
108.02084	0.5
113.02327	3.9
117.03323	1.1
119.03372	1.1
119.04868	1.0
123.27660	0.5
133.02795	3.4
134.03613	1.1
135.04417	3.0
137.02336	1.4
139.03934	0.5
145.02850	2.1
149.05966	0.6
152.07025	0.5
158.52281	0.5
160.01556	1.6
161.02351	7.9
161.04466	1.5
162.02745	0.6
163.03900	1.1
165.81876	0.6
175.03903	1.4
179.03400	2.6
179.05362	0.5
189.01686	0.5
197.14049	0.6
251.13033	0.9
258.33163	0.6
337.09341	1.2
423.29050	3.0
425.26730	1.0
441.30136	3.9
442.30737	0.5
467.28000	11.7
468.27957	1.9
485.29047	100.0
486.29407	16.1
487.30420	0.6
501.32172	2.8
527.30115	8.2
528.30432	1.3
529.22833	0.8
547.21771	1.2
557.31439	0.6
587.32086	0.7
628.13983	0.6
647.34326	49.6
648.34564	11.0
709.29657	4.7
710.30017	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	44.2
60.01575	0.4
61.75429	0.1
61.98708	0.7
63.34898	0.1
65.96205	0.1
71.01251	0.7
71.04890	0.6
74.94514	0.1
80.00439	0.1
85.02826	0.3
89.02327	0.4
98.20600	0.2
101.02348	0.9
113.02327	0.5
119.03410	0.7
132.19386	0.1
158.86201	0.1
161.04449	0.3
219.63071	0.1
221.06587	0.2
229.16083	0.2
261.68356	0.1
389.28198	0.2
391.30200	0.2
405.31396	0.3
407.33337	0.7
421.30838	0.2
423.32852	0.7
425.34454	0.8
425.39459	0.2
427.32446	0.8
439.32086	0.3
443.35229	0.5
467.31354	0.2
469.33218	8.4
470.33585	1.5
487.34271	100.0
488.34625	18.3
513.32172	0.3
529.35718	0.2
649.39496	1.1
650.39789	0.3
709.31122	0.2
709.42059	0.8
710.42932	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.417
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	0.5
59.01250	35.4
60.01578	0.4
61.98697	1.1
71.01246	0.8
71.04900	0.5
78.95759	0.3
89.02319	0.2
90.98464	7.5
101.02335	1.0
102.65074	0.2
113.02303	0.6
117.73373	0.3
119.03371	0.6
145.02863	0.7
146.03221	0.3
159.35677	0.2
161.04422	0.3
191.07109	0.2
309.92276	0.2
367.45593	0.2
377.28891	0.2
387.56897	0.2
405.31854	0.4
423.32684	0.3
427.32251	1.1
437.30814	0.3
443.35101	0.4
467.31796	1.2
468.32025	0.4
469.33221	7.3
470.33441	1.6
484.59598	0.2
487.34277	100.0
488.34631	19.9
531.33600	0.2
649.39386	1.3
650.39789	0.4
709.31335	0.4
709.41498	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11411	0.2
54.06330	0.2
59.01252	40.6
60.01587	0.4
61.98705	4.3
63.33009	0.2
71.01250	0.7
77.17464	0.2
78.95798	0.3
83.01285	0.2
85.02833	0.6
89.02328	0.6
98.20036	1.0
101.02330	0.9
113.02316	0.5
119.03391	0.6
161.04437	0.4
171.10229	0.2
192.17075	0.3
204.94936	0.2
209.11758	0.7
221.06606	0.5
245.28726	0.2
265.00580	0.2
309.20486	0.3
310.20987	0.4
311.21558	0.5
370.46454	0.3
416.14822	0.3
487.34280	100.0
488.34613	20.2
529.35345	0.5
620.75934	0.3
649.39667	1.3
650.39410	0.4
701.61102	0.3
709.41193	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51725	0.8
57.03335	1.3
59.01248	51.0
60.99176	1.1
61.98701	19.7
69.38816	0.8
71.01252	11.1
71.04877	0.9
71.22611	0.8
71.22945	1.0
72.99174	6.3
73.02818	3.7
78.95775	1.9
80.96384	0.9
83.01241	1.6
85.02828	4.7
87.00732	0.9
88.67278	0.7
88.98679	8.8
89.02306	5.1
90.99055	0.8
95.01253	0.8
97.06490	0.8
99.00743	1.1
101.02325	9.8
113.02332	6.4
119.03369	2.5
119.04923	1.2
125.02296	1.0
133.02843	1.5
134.03650	0.9
135.04453	1.6
137.02306	1.0
143.03328	0.9
145.02843	2.9
161.02328	2.6
161.04478	5.1
163.03923	2.5
171.10159	4.4
179.03374	1.9
179.05492	1.3
188.58932	0.8
196.80809	0.8
197.11668	0.9
199.13315	1.0
207.10127	2.2
209.11768	18.6
210.12096	1.1
219.32195	0.8
225.11327	1.5
227.12926	5.9
235.01649	0.8
235.08174	1.2
241.09619	0.9
253.09239	1.9
293.21194	1.4
311.22266	8.3
312.22473	1.1
375.30881	1.1
385.71518	0.9
397.13422	1.9
415.14413	2.2
421.31238	1.2
423.32526	1.3
443.36002	1.1
453.06522	1.0
455.26608	1.7
459.34592	1.0
467.31589	1.1
469.33310	15.3
470.33389	3.1
473.10837	0.8
486.32840	1.0
487.34302	100.0
488.34711	15.5
529.35718	1.5
601.36151	0.9
649.39642	18.6
650.39905	4.6
671.32825	1.1
709.30737	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	709.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46369	0.2
59.01249	32.4
60.01575	0.4
61.98695	2.0
62.89696	0.2
65.27337	0.2
68.93023	0.2
71.01264	0.9
83.01278	0.2
85.02821	0.5
89.02320	0.4
98.19747	0.4
101.02332	1.4
113.02356	0.5
119.03338	0.4
124.87402	0.2
133.92906	0.2
143.73192	0.2
150.18837	0.2
161.04524	0.6
209.11630	0.2
249.30261	0.2
305.97549	0.2
351.83517	0.2
411.46320	0.2
487.34271	100.0
488.34601	17.7
501.35971	0.3
529.35364	0.7
649.39575	5.0
650.40118	1.0
709.41858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33354	1.1
57.03318	1.6
59.01247	9.7
61.98692	5.3
63.96795	1.2
71.01257	5.7
71.30790	1.8
78.95760	5.2
83.04913	1.4
85.02809	2.5
89.02319	2.2
95.04892	2.7
97.06483	6.9
101.02307	4.7
110.18240	1.0
113.02354	2.1
118.13644	1.1
122.28741	1.2
151.11189	17.9
152.99544	5.8
153.93686	1.1
161.04568	1.5
166.31551	1.2
169.12250	44.5
170.12621	3.6
195.10204	4.8
207.10228	1.4
213.11249	6.9
253.09209	3.5
255.23273	2.6
271.00742	1.4
277.21716	53.8
278.22092	7.3
431.19016	2.6
449.20264	4.0
473.17325	2.3
709.41589	100.0
710.41986	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36723	0.3
54.28566	0.3
56.94184	0.3
58.00450	0.4
59.01249	4.5
59.37928	0.4
61.98690	0.9
69.03325	0.7
71.01248	3.4
73.02808	0.4
75.00783	0.3
78.95764	0.4
83.01278	0.4
83.04871	0.4
85.02843	0.7
87.00745	0.5
89.02311	2.3
93.21671	0.3
94.93598	0.3
97.46720	0.3
101.02320	2.6
110.30308	0.4
113.02342	1.7
113.35087	0.3
119.03387	0.8
126.54295	0.3
135.04393	0.4
140.60681	0.3
141.09140	0.6
143.03383	0.5
145.04921	0.3
152.99545	0.4
153.12788	1.5
161.04483	1.4
169.12245	6.5
179.05536	0.4
179.10735	0.6
179.14267	0.4
182.42790	0.3
195.13829	4.7
196.14259	0.5
197.11766	100.0
198.12106	6.3
205.12363	0.5
205.15784	0.4
211.13284	0.6
221.72171	0.3
223.13335	3.8
224.13826	0.5
228.13628	0.5
235.08197	3.1
253.09267	13.7
254.09651	0.5
256.13123	0.9
258.79657	0.3
267.19595	1.3
275.20200	4.1
293.21228	57.8
294.21558	6.2
330.28174	0.4
433.20709	3.3
434.21326	0.7
473.32883	0.5
529.29749	0.6
614.20056	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16374	1.1
57.03312	1.2
59.01001	1.0
59.01257	14.1
60.18515	0.9
61.39613	0.9
61.98686	2.6
71.01251	5.7
71.52296	1.3
73.02834	1.3
78.95770	8.2
85.02829	1.3
87.00741	1.8
89.02300	2.9
95.04921	1.4
97.06468	3.4
101.02321	4.8
151.11165	13.7
152.99501	9.8
169.12253	97.0
170.12581	6.3
171.10220	2.3
195.10139	1.4
201.11305	2.8
209.11850	2.7
213.11243	12.6
225.11325	3.0
235.08182	1.8
253.09361	5.2
255.23381	5.5
277.21707	27.2
278.22107	2.4
431.19135	5.0
449.20163	10.6
455.16214	1.3
472.16904	2.1
473.17627	3.5
580.43964	1.5
638.31549	1.3
691.38000	2.0
709.41504	100.0
710.41656	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.7
60.01573	0.2
60.60938	0.1
61.98703	100.0
62.98422	0.1
65.31213	0.1
69.31142	0.6
71.01256	1.1
72.99195	0.2
73.02831	0.2
73.94622	0.1
78.95802	0.1
85.02840	0.5
87.00838	0.2
88.98730	0.1
89.02332	0.4
95.01283	0.1
98.20565	0.3
101.02335	0.8
113.02305	0.6
119.03365	0.2
119.04886	0.1
133.02869	0.4
135.04407	0.4
140.56923	0.1
145.02863	0.2
161.02365	1.0
161.04515	0.2
179.03448	0.8
179.05518	0.2
195.69475	0.1
209.11754	0.3
220.66661	0.1
227.12991	0.3
311.22269	0.2
312.22583	0.2
313.34787	0.1
327.40091	0.1
397.13370	0.1
405.99329	0.1
441.33389	0.2
458.33755	0.2
473.32550	0.3
474.33176	0.6
475.33435	0.5
476.33969	0.6
487.34338	3.4
488.34680	7.6
489.35184	0.8
519.32288	0.1
650.40247	0.4
651.39130	0.4
655.32397	0.2
665.39001	0.2
669.41327	0.2
710.38367	0.4
711.41364	0.2
743.16461	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	0.7
59.01253	12.6
60.01577	0.8
61.98700	14.0
66.43806	0.6
69.03339	0.8
69.35232	2.4
69.35638	1.7
69.74494	0.6
71.01252	9.9
72.99191	1.2
73.02828	1.7
75.00761	1.2
80.42641	0.6
83.01273	1.1
85.02814	4.1
87.00762	1.2
88.67681	0.7
88.98674	1.6
89.02323	5.4
93.03330	4.6
95.01275	1.0
99.00766	1.2
101.02326	5.8
105.03381	0.9
107.04930	0.8
108.02085	0.9
109.02851	2.0
111.00802	0.9
113.02345	4.7
116.92719	1.2
117.03346	6.4
119.03401	2.4
119.04900	3.6
121.02853	2.3
123.04417	1.8
130.60287	0.6
132.02052	8.4
133.02859	48.6
134.03661	14.6
135.04445	30.8
136.01590	6.0
137.02350	17.7
139.00266	1.0
145.02863	15.5
147.04414	1.7
148.05188	0.9
149.02324	1.3
149.05998	3.6
150.03053	0.8
151.00259	2.3
151.03928	7.1
152.01143	0.8
159.04430	2.0
160.01575	20.5
160.02844	1.3
160.05232	1.5
161.02351	100.0
162.02832	3.9
163.03920	3.9
166.02640	7.0
173.06035	1.0
175.03912	23.7
175.07448	1.0
175.50224	0.6
176.04320	8.5
177.01889	2.0
177.05635	4.4
178.02612	1.0
179.03427	19.4
180.03723	1.4
181.05013	4.9
187.03889	0.7
187.11197	1.2
188.04716	1.1
191.03397	0.8
191.07108	2.0
192.07443	0.9
193.04993	11.5
194.05333	4.5
195.05389	0.9
203.03442	1.9
205.04984	1.0
217.05145	0.7
219.06413	0.7
221.04489	3.8
235.06140	2.5
236.06422	1.8
263.05576	0.9
307.08200	7.8
323.07693	27.9
324.08185	2.0
337.09299	2.3
342.11127	1.2
343.11688	4.4
357.13522	1.6
359.15106	1.6
373.12900	5.7
403.14063	2.6
416.98859	0.6
485.33118	0.8
488.35187	1.0
489.32474	2.3
501.14511	0.7
503.33759	13.6
504.34082	1.2
526.01929	0.7
531.24023	1.1
549.23273	0.8
568.79333	0.8
651.37646	1.1
667.24207	0.8
710.31189	10.4
711.23132	50.4
711.32324	21.0
712.22632	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	711.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.8
57.03315	1.1
57.54309	0.5
59.01247	15.3
60.89801	0.6
61.98701	9.8
67.97405	0.5
68.99712	0.8
69.63110	2.2
69.68008	0.6
71.01253	10.0
72.99187	1.4
73.02824	2.6
83.01256	2.0
85.02811	4.9
87.00733	1.4
88.78738	0.6
89.02313	4.1
90.20840	0.6
91.01782	0.8
93.03323	1.9
95.01259	1.7
99.00764	0.7
101.02330	6.3
104.02570	0.6
107.04963	0.8
108.02058	2.7
109.02834	18.4
110.03182	0.9
111.00765	1.3
113.02322	5.4
116.92725	3.5
117.03351	5.4
119.03396	1.2
119.04903	3.1
121.02866	3.0
122.03658	0.7
123.00780	1.7
123.04388	4.1
124.01536	1.1
132.02063	22.3
133.02853	7.2
134.03630	27.9
135.04457	5.8
136.01556	11.4
136.48930	0.7
137.02354	5.6
139.03857	1.6
145.02858	13.2
146.03627	3.2
147.04402	2.6
148.01558	3.1
148.05104	0.8
149.02335	6.0
149.05978	5.2
150.03142	3.2
151.03914	12.9
152.01071	0.9
152.04185	0.7
153.01855	1.0
153.05470	3.1
159.04439	1.8
160.01569	90.4
160.05093	2.9
161.02341	12.1
161.04497	1.8
161.05965	2.1
162.02969	1.8
163.03941	7.5
164.01070	4.9
164.04677	2.6
165.01880	4.4
165.05415	1.8
166.02635	6.8
167.03349	2.9
173.06003	1.1
174.03008	0.7
175.03917	88.1
175.07477	1.9
176.04214	5.6
177.01808	2.2
177.05466	2.1
178.02628	5.6
179.03421	12.9
179.05606	1.2
179.06934	3.5
181.04977	28.0
182.05251	0.7
183.79735	0.6
187.03877	0.8
189.05502	0.8
191.03471	0.8
191.07018	1.2
192.04175	0.9
193.04976	27.4
194.05296	1.4
195.02887	0.7
195.06651	0.9
202.02652	0.8
203.03293	0.9
205.05061	1.0
207.06541	1.3
209.04497	0.9
211.06039	5.4
215.07104	0.9
216.00963	0.6
217.04936	1.6
220.03583	0.7
235.06035	0.7
245.90269	0.6
254.05762	2.4
255.06512	1.6
265.07208	0.6
269.08258	3.2
270.08810	2.2
283.09900	0.7
284.10406	1.0
299.09320	1.0
307.08313	4.7
309.11621	0.7
313.10843	1.2
322.06870	0.6
323.07593	3.3
328.09644	0.8
329.10272	3.3
329.13947	2.7
337.09262	100.0
338.09634	7.2
343.11902	4.0
359.11411	6.3
373.12930	1.4
389.12808	0.6
407.29514	0.8
471.30896	0.9
475.71429	0.7
485.32516	0.7
487.34250	1.1
488.34277	2.4
489.31418	6.0
490.32224	0.7
502.32193	0.8
503.33661	7.9
519.16437	2.7
520.16614	0.7
531.16699	4.6
545.34650	2.2
633.35217	0.7
651.39166	7.5
667.24207	1.0
669.40680	4.2
679.20258	1.1
711.22803	46.4
711.34570	1.9
712.23334	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	711.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92200	0.9
52.23603	1.0
55.01765	1.6
59.01249	30.6
61.98703	10.6
63.91736	0.9
66.18211	1.1
69.17017	3.5
69.17431	6.2
71.01252	23.4
72.99190	4.4
73.02820	2.9
75.00754	1.9
78.95789	1.0
81.59254	1.0
83.01274	4.0
85.02833	7.5
87.00756	3.7
88.98677	3.3
89.02324	13.7
93.03334	69.5
94.03663	1.3
95.01257	2.8
96.95894	1.8
97.02811	1.5
98.19746	2.4
99.00778	2.7
101.02318	13.9
108.02053	1.5
109.02898	1.9
113.02317	9.4
117.03380	2.6
119.03440	5.2
119.04902	11.1
121.02850	2.6
123.04386	2.3
127.17133	1.2
133.02840	9.0
134.03685	1.6
135.04396	9.4
137.02342	100.0
138.02672	2.4
139.00302	1.1
143.03444	1.6
145.02861	6.1
151.03932	2.3
152.01077	1.6
153.01794	1.6
154.33968	1.0
159.02989	1.5
161.02350	16.5
161.04463	2.6
161.13245	2.3
162.02740	1.4
163.03918	10.3
175.03946	2.0
177.01854	7.6
177.05463	1.4
179.03394	8.4
179.05591	2.1
185.12044	1.2
185.81033	1.0
187.11246	5.5
192.99432	1.4
193.05037	1.2
205.12331	2.9
229.12338	1.1
249.11290	1.7
295.72931	1.1
361.70337	1.3
393.15649	4.3
487.19720	2.4
489.32208	1.7
501.32474	1.8
502.32501	3.2
519.33453	2.2
531.18628	12.7
531.31622	4.6
538.04712	1.3
549.20422	1.8
567.38159	1.1
573.22400	1.6
611.32611	1.5
685.59180	1.1
711.25073	19.0
711.36951	9.7
712.25464	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	711.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45398	0.4
55.01755	0.8
57.03324	0.5
58.00452	1.1
58.88244	0.3
59.01249	18.1
60.27933	0.3
60.99181	0.6
61.98689	2.7
62.51550	0.3
64.35716	0.3
65.03809	0.5
70.85363	0.3
70.99450	0.6
71.01254	12.3
72.99173	1.6
73.02803	1.4
75.00759	0.8
83.01269	2.2
83.04971	0.4
85.02828	3.7
86.24164	0.3
87.00734	1.1
88.98678	1.5
89.02319	8.2
89.34328	0.4
93.03333	69.2
94.03669	2.3
95.01260	1.0
95.04931	0.3
96.95900	1.3
99.00758	0.8
99.04384	0.7
101.02322	6.6
107.04933	0.6
108.02058	0.7
109.02840	0.7
109.56293	0.3
111.00684	0.5
113.02326	5.8
117.03410	0.6
119.03384	3.3
119.04901	1.8
121.02823	0.6
121.77145	0.3
123.00790	0.3
123.04392	1.1
127.00254	0.4
131.03444	0.4
131.55057	0.4
133.02866	3.4
134.03633	0.8
135.04422	3.8
137.02341	100.0
138.02699	3.4
143.03314	0.4
145.02850	1.5
149.02315	0.8
149.05968	0.6
151.03934	0.8
153.01804	0.7
161.02351	8.9
161.04485	1.2
161.05954	0.6
161.13217	1.8
162.02669	1.0
163.03934	2.3
175.03931	0.7
177.01878	5.6
177.05443	0.5
178.02292	0.5
179.03441	3.9
179.05507	2.3
185.13332	0.4
187.09619	0.6
187.11217	6.8
193.04999	0.5
195.02925	0.4
205.12256	2.9
213.09154	0.5
229.12239	0.7
231.10179	0.7
235.00549	0.4
235.05956	0.4
249.11272	1.9
253.12430	0.4
255.10268	0.5
273.11304	0.9
281.06750	0.4
291.12329	0.6
299.07779	0.6
315.12344	1.0
333.13400	0.5
342.57513	0.4
349.16483	0.4
375.14709	0.4
393.15472	4.4
411.16595	0.8
487.19611	0.9
505.89136	0.4
531.18707	15.4
531.30817	0.9
532.19135	2.5
549.20148	0.8
573.21692	2.2
667.32739	0.5
711.25146	18.0
711.36731	2.0
712.25928	3.9
712.36957	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	10.4
59.01253	30.2
61.98705	37.3
66.99933	1.9
70.27866	4.9
70.28187	2.6
70.75142	1.9
71.01249	18.1
71.04890	2.9
73.02819	4.5
75.00768	2.6
83.01242	3.2
83.04867	2.0
85.02831	6.5
87.00744	8.5
89.02320	12.9
99.00732	2.0
101.01702	3.6
101.02332	43.3
108.54016	2.0
111.00622	1.8
113.02307	7.7
119.03353	3.6
123.04402	2.3
137.02277	4.6
143.28464	2.3
152.01152	2.1
157.10135	3.9
161.02327	3.8
162.03131	2.4
163.03938	2.8
175.03862	2.4
177.01831	2.1
179.03366	3.3
180.62071	1.9
185.08102	7.8
207.05042	2.4
237.11281	15.6
252.13651	6.2
253.14430	44.3
254.14758	3.8
265.14279	2.6
284.12631	16.0
306.88675	2.1
318.50229	2.1
353.83990	2.2
469.29523	6.8
471.30939	3.3
485.32541	7.4
487.30954	13.6
488.30795	2.8
503.33789	100.0
504.34369	13.9
515.30298	4.3
517.32117	4.8
531.29376	15.0
532.29919	5.2
537.28571	2.1
549.30811	6.4
550.31006	2.2
579.28204	6.6
580.28284	5.6
651.39697	13.2
652.39777	2.7
664.34546	4.6
669.40948	6.2
679.36731	2.5
693.34967	6.2
694.35394	6.6
711.36005	75.5
712.35596	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	711.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52472	1.0
57.03316	1.6
59.01252	27.6
61.98703	42.3
69.03335	7.1
71.01262	6.3
71.04882	1.4
71.17719	1.0
71.52061	1.6
71.74720	1.0
73.02834	1.7
78.95770	1.2
85.06530	0.9
87.00742	1.6
89.02306	3.1
91.75617	1.0
95.04887	2.4
97.02831	1.0
97.06414	1.6
101.02321	4.6
106.68468	1.1
109.06451	1.6
109.83242	1.0
111.08037	1.7
113.02314	2.9
125.09541	1.4
125.97310	1.0
133.02850	1.9
145.04982	1.3
152.99359	1.2
153.09114	2.1
161.02402	1.9
161.04449	1.7
165.12758	3.7
167.10722	3.0
171.10181	1.6
179.03479	1.9
179.05473	1.7
179.14290	2.6
181.12289	5.2
183.10245	1.0
191.10712	10.9
195.13844	8.6
199.09708	2.8
201.11374	1.1
205.12282	11.6
209.11775	90.9
210.12003	4.8
223.13351	100.0
224.13661	8.6
225.11192	1.1
235.08205	5.6
253.09325	11.4
293.21216	3.4
309.20490	1.3
415.25018	1.6
427.19681	1.6
441.21414	2.1
445.20718	14.7
446.20749	1.4
459.22244	13.8
460.22882	2.3
633.32629	3.9
651.33722	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	712.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21098	0.4
59.01249	2.3
61.98705	100.0
68.75216	0.4
71.01266	1.3
72.96398	0.4
78.72326	0.4
78.95810	0.5
82.84383	0.4
85.02818	0.8
89.02317	1.3
101.02348	0.9
113.02325	0.8
119.03433	0.4
123.98550	0.4
133.02858	5.6
135.04437	3.7
146.34924	0.6
161.02359	14.3
162.02733	1.1
179.03412	2.3
198.29875	0.5
238.14661	0.4
253.21681	2.7
254.22197	1.7
293.21326	1.6
379.06317	0.5
387.50983	0.6
397.13644	2.0
398.13992	1.5
415.14478	0.6
416.15256	0.8
447.18317	3.0
447.68845	1.1
456.19098	2.6
456.69507	1.0
573.65302	0.5
574.23779	1.8
574.73700	1.4
605.38470	0.6
649.37469	21.0
650.37714	5.6
712.35394	0.9
712.83984	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92511	0.1
59.01245	1.5
60.71477	0.1
61.98703	100.0
62.98401	0.1
62.99129	0.1
63.05389	0.1
71.01272	0.3
73.02829	0.1
78.95796	0.2
83.01245	0.1
85.02810	0.1
89.02311	0.1
90.98962	0.1
94.58630	0.1
96.95895	0.1
101.02328	0.2
113.02367	0.2
133.02878	0.2
135.04399	0.2
144.26225	0.1
145.78304	0.1
161.02359	0.3
179.03493	0.2
209.11830	0.1
211.13356	0.2
229.16498	0.1
278.11578	0.1
435.72525	0.1
487.34158	0.2
488.34756	1.1
489.34921	1.4
490.35223	1.4
652.40076	0.2
703.22101	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33839	0.1
59.01258	0.4
61.98701	100.0
62.98408	0.2
69.46042	0.6
71.01245	0.1
71.59367	0.1
74.03806	0.1
84.65796	0.1
98.20548	0.2
133.02843	0.2
161.02357	0.4
209.11772	0.2
230.59621	0.1
237.14912	0.1
240.68687	0.1
332.20575	0.1
355.27023	0.2
739.70270	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09593	0.0
53.88627	0.1
59.01252	1.5
60.01589	0.2
61.01677	0.2
61.98702	100.0
62.98402	0.2
69.16779	0.5
71.01274	0.2
74.07904	0.1
76.99441	0.1
78.95805	0.1
80.81063	0.1
85.02829	0.1
88.62978	0.0
89.02335	0.1
101.02339	0.2
105.45506	0.0
113.02354	0.2
135.04399	0.1
137.02448	0.1
145.02852	0.1
156.79416	0.1
161.02414	0.2
161.04507	0.2
179.03539	0.1
201.05577	0.1
229.08730	0.1
230.09459	0.2
268.60776	0.1
354.06445	0.1
359.13229	0.1
429.33453	0.1
470.34164	0.1
471.33838	0.1
472.34753	0.1
473.20657	0.1
487.34354	0.3
488.34631	1.1
489.34991	1.5
490.35498	1.9
491.35898	0.1
530.31696	0.1
556.23358	0.1
652.40771	0.1
712.42133	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30727	0.1
59.01249	1.2
60.01605	0.2
61.98703	100.0
62.98408	0.2
71.01251	0.2
75.00726	0.1
75.73872	0.1
85.02818	0.2
90.98493	0.2
92.98055	0.1
101.09392	0.1
113.02338	0.2
129.10344	0.1
145.02911	0.1
156.45006	0.1
161.02316	0.1
199.36963	0.1
269.98853	0.1
385.62253	0.1
471.33643	0.1
487.34619	0.3
488.34653	0.9
489.34970	1.4
490.35196	1.6
625.04883	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	713.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44273	0.7
55.01777	0.9
58.00465	1.4
59.01253	12.6
61.98701	17.3
65.00201	0.9
66.98530	0.6
67.01782	0.6
68.99690	1.2
69.68413	3.1
69.82217	0.5
71.01253	11.2
72.99186	1.9
73.02832	1.7
75.00748	2.0
81.03319	1.2
83.01280	2.0
85.02805	4.8
87.00781	1.4
87.04446	0.5
88.98692	2.4
89.02306	3.9
91.01788	1.5
91.90135	0.6
93.03340	5.5
95.01274	3.6
97.02832	0.9
99.00758	1.5
101.02321	5.6
106.00481	0.8
107.01278	1.2
107.04915	2.3
108.02061	1.6
109.02825	4.4
111.00779	2.0
112.96017	0.6
112.98734	0.7
113.02328	7.0
115.33492	0.6
116.92763	1.6
117.03362	0.8
119.03387	1.1
119.04898	0.9
120.99565	4.9
121.02842	22.6
121.99988	1.2
123.00767	10.2
123.04393	5.9
125.02338	1.6
127.00252	1.3
133.02876	4.0
134.03619	1.8
135.04453	2.9
136.01576	1.0
136.98698	0.9
137.02341	12.7
138.03105	2.5
139.00279	2.6
139.03925	3.0
143.03363	0.6
145.02892	1.8
146.03613	1.3
148.05225	0.9
149.02357	8.9
150.03130	1.5
151.03896	5.4
153.01852	2.0
153.05484	9.7
154.02675	0.9
155.03426	2.5
160.01555	0.7
161.02367	4.5
161.04500	2.0
161.05978	1.3
162.03116	1.4
163.03903	1.4
165.01830	3.8
166.99757	5.4
168.00525	1.1
169.01344	0.7
172.05220	0.8
173.06065	0.6
175.03897	1.5
175.07719	0.5
177.01849	3.3
178.02644	1.3
179.03418	59.4
180.03714	3.3
181.01350	8.7
182.02124	11.6
183.02876	6.3
187.07578	1.0
191.03407	2.4
193.05042	2.6
194.05646	0.7
195.02878	0.7
196.03703	1.9
197.04485	28.1
198.04805	1.7
201.05516	1.2
205.12254	0.6
209.04494	8.3
209.11774	1.4
211.06059	2.1
225.04010	1.4
229.08704	2.7
229.14284	0.8
230.09471	5.0
281.06833	0.7
281.55945	0.6
311.04077	1.4
316.32626	0.6
326.06470	6.9
327.07117	1.7
341.08752	100.0
342.09119	6.5
345.15564	2.8
494.44611	0.7
556.21362	2.0
653.39197	1.6
660.27039	0.6
712.32043	1.0
713.20752	47.8
713.31598	3.3
714.21063	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	713.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.6
59.01254	17.2
61.98712	12.5
69.35523	1.6
69.50368	6.0
69.50803	5.7
71.01253	13.7
72.99180	7.9
73.02829	4.2
75.00759	3.9
83.01279	2.6
85.02818	8.9
87.00748	2.1
89.02315	7.5
93.03333	12.4
95.01282	2.8
96.95922	1.9
99.00739	3.2
101.02313	10.8
108.02048	7.6
109.02843	27.3
113.02316	9.2
117.03349	5.3
119.04914	7.3
121.02853	10.7
123.00773	2.6
123.04406	15.0
125.02329	2.0
132.02052	6.0
133.02876	6.9
134.03638	12.3
135.04419	9.1
136.01544	21.4
137.02328	24.7
139.03905	5.2
145.02827	19.7
145.03773	2.0
146.03635	2.3
147.04391	4.1
148.01563	12.8
149.02293	6.3
149.05994	4.8
150.03140	9.8
151.03929	19.7
152.01036	2.5
153.01768	2.6
153.05490	12.8
159.04369	3.8
160.01601	27.8
160.05251	3.9
161.02353	15.4
161.04454	2.9
161.05916	2.8
161.08971	1.8
162.02782	2.0
163.03925	47.7
163.05212	3.6
164.01062	6.8
164.04533	3.2
165.01881	4.5
165.05554	3.3
166.02629	12.9
167.03467	2.7
173.06123	1.8
175.03922	36.0
176.04608	2.0
177.01871	11.7
178.02597	10.8
179.03447	19.1
179.07065	2.1
180.03943	1.8
181.05003	26.7
187.03920	2.4
188.04678	2.9
190.02499	2.5
191.03479	2.2
191.07028	2.8
192.04343	2.4
193.04996	40.5
203.07048	6.4
205.05092	3.0
207.06529	3.1
211.06050	21.8
241.05028	1.9
253.04822	3.8
263.07050	2.9
265.04984	3.1
266.05768	2.5
267.06537	11.9
269.04520	2.8
279.06650	6.6
280.07291	3.1
281.04242	3.9
281.07065	2.1
281.08286	1.7
282.09015	10.4
283.09647	4.3
293.04556	6.4
293.07977	3.5
294.08859	4.8
295.06207	3.1
295.09650	2.1
296.06952	5.4
296.10312	3.0
297.07645	5.4
297.11349	19.5
299.09308	3.1
307.08304	8.2
308.06802	2.8
309.07727	8.4
309.11343	10.1
310.08344	3.4
311.06000	3.0
311.09180	14.6
312.09985	7.1
323.09357	9.8
324.10007	5.9
325.10599	2.8
326.07962	2.9
327.12421	15.8
329.10086	8.8
337.09286	36.2
338.09546	3.1
339.08240	2.9
339.12396	35.5
341.10260	17.3
342.10507	2.2
353.10269	5.1
357.13501	5.2
359.11395	11.4
371.11353	25.2
372.11639	2.0
385.11218	3.3
387.08685	2.1
402.10992	4.3
405.11835	2.5
414.10986	3.3
415.12289	2.2
417.13437	12.5
418.13983	2.3
429.13342	5.2
430.13876	4.3
431.14590	3.0
432.15714	4.5
433.16296	5.7
445.11234	3.0
445.16876	2.6
458.13873	5.3
461.20804	10.7
473.16092	5.3
479.21906	2.2
487.12378	1.9
488.14542	4.1
489.27420	4.1
491.16879	15.4
503.17459	3.5
521.18195	57.7
522.18652	8.6
533.18201	100.0
534.18414	15.1
551.18945	13.5
552.19122	3.6
589.18445	2.1
669.32312	2.5
695.23242	10.2
713.24152	6.5
713.46954	4.8
714.26190	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	714.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10446	0.1
59.01254	0.5
61.98702	100.0
62.97417	0.1
62.98405	0.1
64.24241	0.1
64.51686	0.1
66.09803	0.1
71.01250	0.3
85.02848	0.2
87.65230	0.1
89.02325	0.2
98.20605	0.1
101.02341	0.2
102.41776	0.1
108.01982	0.1
113.02348	0.3
115.50583	0.1
117.03329	0.2
119.03400	0.1
129.01781	0.1
134.03619	0.3
135.04437	0.2
137.02388	0.1
145.02869	0.2
149.38553	0.1
160.01593	0.6
161.02345	0.2
163.04062	0.1
175.03937	0.8
179.03468	0.2
190.15724	0.1
193.05046	0.2
219.78719	0.1
274.64166	0.1
321.33521	0.1
341.08765	0.2
345.05588	0.1
651.23334	0.4
715.22620	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	714.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.4
61.98703	100.0
69.36392	1.0
71.98910	0.2
78.95771	0.4
84.84674	0.1
113.02303	0.2
117.87884	0.2
125.09637	0.2
147.86620	0.2
161.02342	0.4
171.10199	0.3
201.11412	0.2
209.11758	1.1
223.13429	0.4
224.13762	0.3
229.09381	0.2
253.09398	0.3
344.04257	0.2
350.90976	0.2
539.19543	0.2
639.36218	0.2
714.37933	0.3
727.38708	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.7
59.63385	0.4
61.98705	22.1
69.03332	0.6
71.01250	4.9
71.52174	0.4
73.02826	0.9
78.95779	2.8
82.65872	0.5
84.02060	0.6
85.02819	2.9
89.02341	1.1
93.03344	0.8
95.01269	0.6
96.95860	0.8
97.02854	0.5
99.00755	1.0
101.02316	2.5
108.02045	1.4
109.02837	0.7
110.98435	0.5
113.02354	2.3
116.92734	0.4
119.04866	0.5
120.84882	0.4
121.02820	4.8
122.03645	2.2
123.00764	0.5
123.04403	0.4
124.01555	0.4
125.02359	0.7
133.02881	0.6
134.03632	1.3
134.51825	0.5
135.04442	1.0
136.01561	83.9
137.02440	3.1
145.02783	0.4
149.05989	0.7
151.03914	100.0
152.04282	3.7
159.04451	0.9
160.05211	1.4
161.02324	1.2
161.04492	2.8
161.05785	0.5
162.03171	1.2
162.06761	2.0
163.03908	1.4
171.10191	0.8
175.03906	0.9
175.07613	1.2
177.05482	1.4
177.09172	2.1
179.03450	1.8
183.13837	3.4
187.04015	0.6
189.05553	0.5
191.03391	0.4
195.13863	3.6
197.11758	1.1
197.15538	0.4
209.11816	1.3
209.15326	0.5
213.14906	37.7
214.15231	3.0
219.13850	0.5
223.13408	0.7
227.16428	0.7
237.14841	1.1
255.16013	0.9
255.23257	0.7
309.17343	0.5
311.12805	0.6
325.04880	0.4
342.11121	4.3
357.13431	80.9
358.13702	7.9
477.30853	0.7
651.29565	0.5
655.41113	0.6
671.39685	0.6
683.32544	0.9
703.11469	0.4
712.76141	0.4
715.35986	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.346
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78392	0.5
59.01249	9.1
60.99180	0.7
61.98702	37.7
71.01248	6.0
71.04893	2.6
72.95987	0.6
72.99175	1.4
73.02821	1.1
75.00744	0.8
78.95785	1.0
83.04895	0.9
85.02831	1.9
88.98675	1.8
89.02303	3.6
93.03359	0.8
99.00732	0.9
101.02328	3.1
113.02309	2.4
116.52914	0.5
116.64494	0.7
117.03343	0.7
119.03382	0.9
124.50928	0.5
131.31915	0.5
133.02821	1.1
135.04413	1.0
137.02339	2.4
145.02861	1.5
161.02386	2.0
163.03909	1.2
166.02609	0.6
179.03416	1.8
219.32240	0.7
238.15417	0.7
246.96773	0.5
253.14423	0.7
282.66135	0.6
322.10019	0.6
374.92715	0.6
377.00128	0.6
377.28412	1.0
395.29272	0.8
437.30621	7.1
438.31055	1.1
455.31619	5.2
456.31879	0.7
473.32498	0.9
499.30533	3.6
517.31665	22.8
518.31836	3.8
559.32550	1.2
679.36945	100.0
680.37292	22.8
715.21661	0.7
716.36145	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.3
59.01249	8.8
61.98701	27.5
69.03319	2.7
71.01244	3.9
71.51880	0.9
73.02786	1.4
75.00749	1.9
78.95791	6.8
79.59298	1.0
80.02547	1.1
83.03019	0.8
83.04898	2.9
85.02823	1.4
89.02309	2.8
101.02303	4.3
107.82844	0.9
109.06483	1.0
110.98440	1.2
113.02334	2.9
119.03368	1.4
125.09594	1.2
133.02823	1.3
135.04407	1.1
141.97881	1.0
153.09138	1.1
161.02347	1.6
162.06827	2.4
163.11168	2.4
165.12755	3.8
169.12262	1.0
171.10168	3.3
177.09077	1.5
179.03392	2.0
181.12276	3.1
191.10721	4.2
197.11775	2.8
197.68890	1.0
207.10229	1.1
209.11769	100.0
210.12152	6.4
223.13402	3.1
227.12801	10.5
232.83835	1.0
235.08218	2.6
238.54991	1.0
253.09186	6.3
255.23218	2.5
309.20636	1.4
427.19525	1.1
445.20593	5.4
652.40765	1.6
683.33020	4.1
715.35590	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	715.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.8
59.01251	13.2
59.67884	0.8
61.98702	1.0
69.03317	4.7
71.01255	6.1
71.04875	2.2
73.02802	1.9
83.04884	1.0
85.02814	2.7
87.00727	1.3
89.02278	1.4
97.02777	0.8
97.06448	1.0
98.20583	2.0
101.02308	4.0
113.02346	1.5
115.79144	0.8
123.08002	1.5
124.92276	1.1
125.09621	2.5
139.66405	0.9
151.11151	2.5
161.09616	4.6
179.10701	8.4
197.11761	49.7
198.12131	2.3
209.11748	1.3
235.08253	1.3
241.10812	1.5
246.01244	0.9
253.09322	2.2
255.23276	93.0
256.23654	6.6
293.21210	2.7
305.17551	2.7
459.18530	1.5
477.19818	1.5
631.09113	0.8
715.42737	100.0
716.31421	1.5
716.43115	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	715.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.5
57.03329	1.4
58.00476	1.2
59.01251	49.8
60.01565	0.5
61.98703	59.3
63.73985	0.5
64.45382	0.5
68.99692	0.6
69.03308	0.6
71.01254	26.3
71.51929	0.6
72.99165	2.2
73.02818	5.9
75.00737	0.9
78.95775	1.5
83.01263	3.9
85.02821	9.9
87.00742	2.1
88.98658	0.8
89.02318	15.8
93.03338	0.7
95.01272	2.1
96.95927	0.8
99.00742	2.9
101.02326	18.6
108.02032	0.7
109.02828	0.7
111.00737	0.6
113.02337	11.8
114.02687	0.7
117.03356	4.1
119.03411	5.1
119.04881	3.4
121.02856	1.0
123.00700	0.6
123.04384	0.9
125.02393	0.7
129.01842	0.6
133.02821	2.4
134.03636	1.1
135.04416	1.9
136.01558	0.6
137.02316	2.6
137.09619	1.0
145.02855	14.4
146.03242	0.6
147.04413	0.6
149.02327	0.8
150.03075	0.9
151.03915	1.1
153.01883	0.8
153.32246	0.5
159.02954	1.3
159.04262	0.6
161.02359	3.3
161.04462	3.4
163.03897	3.1
165.05460	0.7
167.03400	1.0
175.03885	0.6
179.03459	2.9
179.05516	1.4
179.76228	0.5
193.04932	0.8
201.53462	0.5
211.13345	0.7
215.07271	0.6
295.07260	0.9
309.09128	0.7
329.14041	0.8
337.08209	2.0
345.15884	0.9
345.24228	1.8
373.23807	0.7
395.29428	0.6
457.33176	1.6
493.35553	2.1
494.35297	0.7
619.38568	1.2
635.38306	0.7
636.39069	0.7
637.39178	2.3
655.40613	100.0
656.41034	18.2
679.36896	1.3
683.24658	4.3
684.24878	1.2
699.39423	3.1
715.27863	4.3
715.37238	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	715.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94242	29.5
59.01244	29.0
61.98684	43.3
71.51147	29.7
78.95758	78.0
80.77000	27.8
107.85629	28.8
158.13335	29.1
181.82420	33.6
197.11766	45.4
255.23253	100.0
309.20831	45.2
715.44562	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.1
61.98703	23.3
71.01250	5.4
72.99168	0.7
73.02833	0.9
85.02821	5.5
87.00758	1.0
89.02284	1.6
95.01255	1.7
95.04884	0.9
99.00704	0.9
105.03383	0.6
108.02033	0.8
109.02847	1.7
113.02333	9.4
117.03338	1.3
121.02851	1.0
122.03616	0.7
123.00735	0.7
123.04413	10.5
132.02086	1.8
133.02850	37.4
134.03500	1.3
135.04416	39.9
136.04724	1.2
137.02351	1.8
143.03450	0.9
149.02351	1.5
150.03128	7.3
151.03918	17.9
160.01534	0.7
161.02353	100.0
162.02689	4.2
163.03906	0.9
165.01794	0.8
179.03423	50.9
180.03773	2.1
193.01460	0.9
193.05020	0.7
203.03531	1.0
222.93637	0.6
459.14856	3.6
487.14603	6.0
488.14902	1.0
621.18268	45.8
622.18439	6.1
653.20844	41.4
654.21069	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	716.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.0
61.98703	100.0
62.98407	0.2
70.85390	0.2
71.01264	0.6
72.99180	0.1
75.39301	0.1
78.95795	0.4
79.72689	0.1
85.02846	0.4
87.00787	0.2
89.02296	0.2
96.95875	0.2
101.02338	0.3
108.02122	0.1
113.02335	0.9
117.03343	0.2
121.02814	0.2
131.26103	0.1
133.02863	1.2
134.03644	0.2
135.04413	1.0
137.02336	0.3
145.02846	0.2
149.02368	0.2
150.03137	0.6
151.07611	0.3
152.01071	0.2
161.01056	0.2
161.02367	2.1
161.04486	0.4
173.06075	0.1
178.02615	0.2
179.03444	1.2
179.05669	0.1
187.03859	0.2
187.07611	0.2
197.11784	0.2
201.05545	0.6
201.09236	0.2
202.06232	0.2
209.11655	0.2
216.60634	0.1
229.08685	0.3
230.09415	1.8
231.09854	0.2
255.06621	0.4
255.23306	0.2
555.21051	0.2
556.21722	0.4
620.17493	0.3
717.23981	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08697	0.1
52.49821	0.1
54.39164	0.1
59.01255	0.6
61.08126	0.1
61.98703	100.0
62.76437	0.1
62.98418	0.2
71.01259	0.8
71.22231	0.1
71.52032	0.2
72.97412	0.3
73.02829	0.2
75.00739	0.1
85.02822	0.5
87.00768	0.1
89.02315	0.3
93.03351	0.1
96.08199	0.1
96.95863	0.1
99.00753	0.1
100.10863	0.1
101.02307	0.2
101.93683	0.1
102.05553	0.1
108.02081	0.1
113.02326	0.8
117.03371	0.1
133.02841	1.2
134.03658	0.2
135.04427	1.1
136.01608	0.1
137.02367	0.3
145.02888	0.3
149.02417	0.2
150.03125	0.8
151.00240	0.1
161.02365	3.1
161.04530	0.3
166.02658	0.1
179.03419	0.9
181.05032	0.3
185.11792	0.1
187.03943	0.1
187.07674	0.2
191.03412	0.1
201.05598	0.2
202.06316	0.3
207.29550	0.1
229.08580	0.2
230.09428	0.6
233.04721	0.1
255.06659	0.2
257.08112	0.1
261.67493	0.1
307.08298	0.2
326.10080	0.1
387.14563	0.3
450.71875	0.1
469.13678	0.2
470.73401	0.1
556.21808	0.1
620.17474	0.1
656.41016	0.1
685.30902	0.1
716.37311	0.2
717.24017	0.8
717.34589	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.0
61.98703	100.0
62.98407	0.2
70.85390	0.2
71.01264	0.6
72.99180	0.1
75.39301	0.1
78.95795	0.4
79.72689	0.1
85.02846	0.4
87.00787	0.2
89.02296	0.2
96.95875	0.2
101.02338	0.3
108.02122	0.1
113.02335	0.9
117.03343	0.2
121.02814	0.2
131.26103	0.1
133.02863	1.2
134.03644	0.2
135.04413	1.0
137.02336	0.3
145.02846	0.2
149.02368	0.2
150.03137	0.6
151.07611	0.3
152.01071	0.2
161.01056	0.2
161.02367	2.1
161.04486	0.4
173.06075	0.1
178.02615	0.2
179.03444	1.2
179.05669	0.1
187.03859	0.2
187.07611	0.2
197.11784	0.2
201.05545	0.6
201.09236	0.2
202.06232	0.2
209.11655	0.2
216.60634	0.1
229.08685	0.3
230.09415	1.8
231.09854	0.2
255.06621	0.4
255.23306	0.2
555.21051	0.2
556.21722	0.4
620.17493	0.3
717.23981	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.3
61.98704	100.0
62.98405	0.2
64.44358	0.1
66.03020	0.1
71.01247	0.2
72.95685	0.1
78.95792	0.2
135.04439	0.1
146.40410	0.1
161.02417	0.4
162.06812	0.2
171.10242	0.2
177.09111	0.1
179.03404	0.2
207.10216	0.1
209.11850	0.3
227.09088	0.1
231.22006	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.3
61.98705	100.0
62.98398	0.3
71.25455	0.2
71.51622	0.4
74.38820	0.2
78.95799	0.6
81.37948	0.3
100.16806	0.2
133.02878	0.3
157.21541	0.2
161.02379	0.4
171.10199	0.6
179.03360	0.3
209.11807	0.5
255.23311	0.3
292.53925	0.3
303.70383	0.2
497.63199	0.3
512.08557	0.2
716.38135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18478	0.2
59.01252	0.4
61.98703	100.0
71.37312	0.3
102.05307	0.1
106.73151	0.2
153.39488	0.1
202.66457	0.2
203.42690	0.2
255.23460	0.3
278.28198	0.2
286.57553	0.2
454.44699	0.2
672.72003	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51665	0.1
59.01257	0.6
61.98703	100.0
62.98407	0.1
69.25945	0.6
70.61290	0.1
71.01263	0.1
73.89093	0.1
78.95805	0.1
89.02310	0.1
98.19830	0.1
113.02299	0.1
128.88898	0.1
152.99487	0.1
161.02391	0.1
162.37337	0.1
179.03380	0.1
203.27118	0.1
255.23387	0.2
256.23688	0.1
257.24103	0.1
331.73669	0.1
398.08887	0.1
398.13852	0.1
399.14078	0.3
400.14374	0.1
506.59131	0.1
582.46735	0.1
599.21423	0.1
657.22382	0.2
688.97357	0.1
717.24030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
61.98380	1.0
61.98703	19.2
68.21877	0.6
69.99129	0.7
78.95799	1.0
81.57694	0.6
161.02371	1.0
165.45958	0.6
255.23253	1.1
277.21924	0.6
299.72806	0.6
379.79404	0.7
438.09650	1.3
453.12018	2.5
455.17230	1.4
457.18921	1.4
459.16669	2.0
467.13632	1.1
480.14325	0.8
481.11688	3.4
482.11749	0.8
495.17560	1.0
496.13840	14.7
497.14395	10.0
498.15332	3.6
510.15402	4.3
511.16031	8.3
512.17029	3.7
513.18030	3.4
523.16003	1.2
528.12958	1.3
530.14606	1.5
535.94104	0.7
538.15253	0.8
539.19269	2.2
540.28870	0.7
544.15985	5.1
545.16547	2.0
551.16296	0.8
553.16919	1.0
567.18848	11.2
568.19037	3.1
570.17517	1.7
571.18323	9.5
572.18475	3.2
583.18542	1.6
589.19470	1.7
590.20416	0.8
597.19904	1.5
598.20795	3.3
599.21429	31.2
600.21667	8.9
602.16608	2.5
603.17108	1.1
625.19714	2.1
630.19501	1.5
631.20697	1.4
643.20428	1.2
657.22058	17.3
658.22375	4.7
717.24200	71.1
718.24384	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	99.0
60.15433	1.5
60.70889	1.4
61.98704	100.0
68.33846	1.6
72.45039	1.4
78.36309	1.4
78.95776	3.5
79.56582	1.3
86.13775	1.5
99.17357	1.4
111.92451	1.3
115.86142	1.3
161.02383	1.5
165.05679	1.5
207.09961	1.6
209.11821	1.8
212.74951	1.5
277.21674	1.7
372.98608	1.8
453.11694	2.3
459.16861	1.7
481.11359	3.6
496.13928	12.1
497.14267	4.0
498.15375	2.6
510.15427	5.3
511.16214	8.3
512.16626	3.1
513.17627	3.4
538.14594	1.8
544.15869	4.1
567.19080	9.6
568.19031	2.0
570.17371	2.7
571.18958	7.2
572.19177	1.6
589.19049	2.9
597.20013	3.6
598.20807	2.7
599.21490	28.1
600.21661	5.3
602.16693	2.0
603.15924	1.5
625.18994	2.5
631.20154	2.0
657.21960	15.3
658.21960	4.6
717.24146	72.3
718.24573	23.4
718.36365	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	717.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
81.80813	92.9
117.96864	71.6
238.10361	77.5
717.46582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.3
60.36265	0.1
61.98703	100.0
62.98405	0.2
66.12794	0.1
66.86806	0.1
68.53810	0.1
71.01270	0.2
80.96429	0.1
85.02850	0.1
97.02854	0.1
101.02327	0.2
113.02335	0.3
133.02798	0.8
134.03708	0.2
135.04414	1.4
160.76476	0.1
161.02357	1.8
161.60478	0.1
171.10358	0.1
178.02597	0.2
179.03450	2.1
209.11807	0.4
230.26088	0.1
302.10797	0.1
337.89029	0.1
397.83417	0.1
622.19586	0.3
654.81842	0.1
719.25690	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08855	0.1
51.82204	0.1
52.29971	0.1
59.01251	0.3
61.98705	100.0
70.45000	0.1
71.01251	0.1
71.06828	0.3
78.95782	0.5
83.49758	0.1
84.34491	0.1
113.02319	0.2
119.65003	0.1
133.02890	0.2
135.04468	0.4
161.02345	1.0
171.10251	0.5
179.03439	0.7
206.76407	0.1
209.11873	0.4
211.13454	0.1
255.23428	0.2
293.21280	0.2
304.07446	0.1
327.22336	0.2
333.94577	0.1
387.87543	0.1
504.66400	0.2
557.93597	0.2
719.25891	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08855	0.1
51.82204	0.1
52.29971	0.1
59.01251	0.3
61.98705	100.0
70.45000	0.1
71.01251	0.1
71.06828	0.3
78.95782	0.5
83.49758	0.1
84.34491	0.1
113.02319	0.2
119.65003	0.1
133.02890	0.2
135.04468	0.4
161.02345	1.0
171.10251	0.5
179.03439	0.7
206.76407	0.1
209.11873	0.4
211.13454	0.1
255.23428	0.2
293.21280	0.2
304.07446	0.1
327.22336	0.2
333.94577	0.1
387.87543	0.1
504.66400	0.2
557.93597	0.2
719.25891	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.8
59.01255	3.3
71.01250	6.5
71.53690	0.5
73.02830	0.6
85.02407	0.7
85.02824	6.4
89.02335	2.0
91.93621	0.5
95.01269	2.5
101.02354	0.6
105.03334	0.5
112.82188	0.6
113.02329	15.4
114.77046	0.5
119.03426	0.5
123.41690	0.6
132.02046	2.6
133.02852	36.2
134.03235	1.0
135.04408	7.8
161.02353	100.0
162.02719	4.5
173.05994	1.5
179.03427	7.5
187.03900	0.6
187.07587	5.3
188.08015	0.7
201.05559	1.3
202.06279	7.1
214.69923	0.6
231.10236	7.2
249.11342	1.3
557.22394	15.7
558.22742	2.0
701.24207	1.9
719.25507	61.1
720.25836	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	719.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42703	0.3
51.67571	0.3
53.26664	0.3
57.03325	0.9
59.01261	3.5
59.44643	0.3
61.98699	0.5
65.76128	0.3
69.43242	1.7
69.43648	0.7
70.26239	0.3
71.01254	6.4
73.02815	0.6
82.35203	0.3
83.01250	0.4
85.02831	8.3
89.02315	1.9
89.03898	0.3
95.01263	3.0
98.20444	0.5
101.02319	0.9
105.03386	0.5
109.53748	0.4
113.02333	15.3
115.01785	0.6
117.03362	0.9
119.03403	0.4
123.04470	0.4
123.19500	0.4
124.52264	0.3
132.02069	2.1
133.02855	40.5
134.03473	1.5
135.04417	9.3
136.04758	0.4
145.02827	0.3
147.04488	0.5
150.54501	0.3
157.11337	0.3
158.03548	0.3
159.04443	0.9
161.02353	100.0
162.02702	4.5
172.05225	0.7
173.05991	1.3
179.03412	9.5
187.04008	0.7
187.07568	5.7
201.05524	1.6
202.06271	7.6
203.06769	0.7
216.07828	0.4
219.10124	0.5
231.10205	6.1
249.11345	1.5
411.16324	0.4
539.21277	0.9
557.22406	11.2
558.22937	1.6
701.24139	1.5
719.25537	42.6
720.25952	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	719.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.1
59.01246	4.1
61.98707	0.6
66.83653	0.4
71.01258	6.2
71.28815	0.6
85.02819	7.6
85.03286	0.5
87.00755	0.4
89.02320	1.5
95.01273	2.9
99.00722	0.5
105.03356	1.0
106.04168	0.5
107.04962	0.6
109.02843	1.6
113.02334	12.6
115.01767	0.5
117.03333	1.1
121.02829	0.5
123.04430	1.5
132.02068	3.5
133.02852	48.4
134.03679	8.9
135.04414	55.0
136.04715	2.3
137.02321	2.1
139.03931	0.6
145.77568	0.4
146.03564	0.5
146.77769	0.4
148.87206	0.4
149.05951	0.7
151.03906	1.3
153.05476	0.8
159.04376	0.5
160.01575	0.7
161.02350	100.0
162.02696	4.1
163.03908	0.5
175.03943	0.7
177.05554	0.9
178.02606	4.0
179.03418	92.3
180.03789	3.6
181.04951	0.4
197.11877	0.5
201.05547	0.5
203.03348	2.5
203.06923	0.5
203.10809	0.4
217.04906	0.5
221.04420	0.4
233.04485	1.3
245.04474	0.7
251.05606	2.3
305.06668	0.8
323.07639	1.8
325.09259	2.6
486.13934	0.7
487.14514	16.2
488.14850	1.5
557.22327	1.1
621.17950	1.8
622.19006	11.7
623.18958	2.7
646.83405	0.5
687.31403	0.5
719.25391	16.0
720.25897	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.0
59.01255	4.2
61.98703	0.8
63.71671	0.4
69.03351	0.5
71.01254	5.8
71.28426	0.7
73.02794	0.5
83.01270	0.7
83.04893	0.4
85.02824	7.2
89.02318	1.4
95.01283	2.7
105.03353	1.1
107.04916	0.6
109.02843	1.7
113.02327	9.6
113.03066	0.7
117.03362	1.3
119.03349	0.5
121.02835	1.2
122.03601	0.4
123.04413	0.9
132.02066	3.4
133.02852	39.0
134.03667	8.9
135.04416	58.2
136.04753	1.3
137.02332	2.4
139.03912	0.8
150.03102	0.6
151.03923	1.1
153.05481	0.5
161.02353	78.4
162.02672	3.3
163.11325	0.5
165.90649	0.4
177.05507	0.9
178.02644	5.7
179.03423	100.0
180.03745	4.8
197.11818	0.6
203.03401	2.2
209.11798	1.7
221.04474	0.8
231.10226	0.5
233.04532	1.1
245.04582	0.7
251.05630	2.7
305.06769	1.0
323.07733	2.7
325.09290	1.9
344.89734	0.5
477.13885	0.5
486.13828	0.6
487.14572	19.2
488.14828	2.6
557.22571	0.9
621.18799	2.2
622.18994	15.6
623.19592	2.7
687.32202	2.5
719.25403	9.7
719.37000	0.7
720.25684	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	719.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53482	1.5
57.03320	1.5
59.01253	21.8
61.98704	100.0
68.99692	1.6
69.03348	2.3
71.01260	39.3
71.51159	2.0
72.99184	3.1
73.02842	2.4
75.00749	22.7
77.01812	1.3
78.95773	6.8
80.02531	1.4
81.03338	2.6
83.04896	6.6
85.02829	11.0
87.00760	4.4
89.02330	6.9
93.03322	1.9
95.01266	3.8
95.04919	2.3
96.95882	1.3
97.02824	7.9
99.00751	5.2
101.02329	9.9
107.04894	1.6
109.02851	1.9
109.06475	13.4
110.03645	1.7
111.00846	1.1
111.04410	4.7
113.02341	15.3
114.02655	2.4
121.02790	1.4
121.06513	1.8
122.03577	1.2
123.04398	4.0
125.02352	2.0
125.09611	4.1
127.11195	1.3
132.02065	3.1
133.02855	39.8
134.03711	7.0
135.04427	36.7
135.08066	2.1
136.04778	2.9
137.02390	2.8
143.03448	1.6
145.02838	2.2
151.03873	1.3
151.11191	2.2
152.99504	3.0
161.02351	83.6
161.04506	4.0
161.09641	4.5
162.02701	6.4
163.11188	10.8
165.12743	2.5
169.12247	3.0
171.10178	24.6
172.10556	3.5
177.09094	2.9
178.02611	2.8
179.03418	71.1
179.10741	5.3
180.03754	7.5
181.12297	4.3
185.11732	2.1
187.07472	2.6
191.10959	1.2
197.11732	8.2
199.13272	2.9
201.11282	2.7
203.03391	1.8
205.08659	13.2
207.10197	29.2
208.10538	1.7
209.11780	64.9
210.12128	3.5
211.13303	3.9
213.11220	3.0
223.09744	21.8
223.13306	2.0
225.11290	22.2
227.12903	10.4
228.13148	1.4
231.10182	1.8
235.08298	1.8
238.32373	1.3
241.10928	1.6
242.11270	1.4
243.10201	1.5
243.12343	3.8
251.05632	2.5
253.09227	13.6
255.23305	5.4
265.51874	1.3
273.17032	10.9
293.21338	2.2
323.07571	1.8
328.22116	2.5
363.94870	1.3
416.66040	2.5
441.18243	1.6
459.18668	4.4
461.20114	2.9
483.27167	3.1
487.14273	9.6
615.72839	1.9
616.23792	1.8
621.18256	5.0
622.19159	5.6
623.19257	2.4
651.30035	2.2
669.31372	8.8
687.32355	10.0
688.32550	2.2
718.79657	4.0
719.24194	14.4
719.36139	5.6
720.26337	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	719.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03320	2.2
59.01250	26.5
71.49785	3.1
78.95773	45.2
96.68024	2.6
96.96833	3.8
113.72241	2.2
152.99492	38.9
174.99214	12.0
217.00243	50.4
253.21710	19.8
254.22003	3.4
255.23270	100.0
256.23511	9.0
299.00516	9.8
374.99197	8.8
391.22684	2.7
483.27286	62.9
484.27484	7.3
670.05127	2.8
714.19031	2.6
719.48425	21.0
720.48303	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	720.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75342	0.1
59.01252	6.4
60.01582	0.6
61.01699	0.3
61.98705	100.0
63.87154	0.2
68.97826	0.1
71.52103	0.2
75.12737	0.1
78.95786	0.3
133.02837	0.4
161.02370	0.3
172.85730	0.2
179.03557	0.2
187.27670	0.1
189.28407	0.2
207.10205	0.2
225.11183	0.3
277.21707	0.4
330.07697	0.2
382.92346	0.2
412.03711	0.2
490.14764	0.2
498.15186	0.3
499.13937	0.8
513.16577	0.3
514.16614	0.3
547.16473	0.2
570.19250	0.6
573.18927	0.3
574.18811	0.5
601.21704	0.5
602.21613	1.5
660.22357	1.0
719.24335	0.2
720.24261	5.5
721.23492	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87583	0.3
57.78716	0.2
59.01251	1.1
61.98703	100.0
62.98397	0.3
63.51131	0.2
67.95033	0.2
71.01265	0.8
73.19332	0.2
75.00775	0.2
78.95781	0.7
85.02842	0.5
89.01427	0.2
97.97910	0.3
101.02349	0.3
102.68062	0.2
113.02338	0.9
123.14539	0.2
133.02863	1.0
135.04425	1.0
136.10341	0.3
152.99545	0.3
161.02348	2.2
162.02695	0.7
171.10245	0.3
178.83604	0.3
179.03407	1.3
180.03806	0.3
197.11736	0.3
209.11836	0.6
219.59970	0.2
223.13362	0.4
225.11299	0.3
260.25644	0.3
311.61630	0.3
323.22360	0.4
481.60031	0.3
501.37723	0.3
720.26288	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.6
57.03314	1.0
58.00455	0.3
59.01252	4.4
61.98700	1.1
71.01254	8.4
73.02811	0.5
85.02820	11.5
86.03162	0.4
87.25587	0.3
89.02307	2.5
91.05390	0.3
95.01261	4.6
98.20574	0.8
101.02325	1.3
105.03368	0.6
109.02808	0.4
113.02334	20.5
114.02683	0.6
117.03370	1.8
119.03426	0.6
119.04945	0.6
123.04432	0.4
132.02065	3.0
133.02852	41.4
134.03474	1.8
135.04414	15.8
136.04744	1.0
137.02307	0.8
141.86618	0.3
143.03424	0.5
145.02852	1.3
154.06920	0.4
159.04381	2.1
161.02353	100.0
162.02690	6.0
163.02852	0.6
168.07936	0.3
179.01843	0.8
179.03426	14.9
180.03778	1.8
181.03807	0.4
189.09126	1.0
201.09161	5.4
203.03372	0.4
219.10207	0.7
314.76334	0.4
365.77264	0.3
381.15579	0.6
499.30722	0.7
527.21307	7.6
528.21991	0.9
559.23792	0.5
689.24481	43.9
690.24890	9.9
721.26801	10.5
722.27051	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	721.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.6
57.03314	1.0
58.00455	0.3
59.01252	4.4
61.98700	1.1
71.01254	8.4
73.02811	0.5
85.02820	11.5
86.03162	0.4
87.25587	0.3
89.02307	2.5
91.05390	0.3
95.01261	4.6
98.20574	0.8
101.02325	1.3
105.03368	0.6
109.02808	0.4
113.02334	20.5
114.02683	0.6
117.03370	1.8
119.03426	0.6
119.04945	0.6
123.04432	0.4
132.02065	3.0
133.02852	41.4
134.03474	1.8
135.04414	15.8
136.04744	1.0
137.02307	0.8
141.86618	0.3
143.03424	0.5
145.02852	1.3
154.06920	0.4
159.04381	2.1
161.02353	100.0
162.02690	6.0
163.02852	0.6
168.07936	0.3
179.01843	0.8
179.03426	14.9
180.03778	1.8
181.03807	0.4
189.09126	1.0
201.09161	5.4
203.03372	0.4
219.10207	0.7
314.76334	0.4
365.77264	0.3
381.15579	0.6
499.30722	0.7
527.21307	7.6
528.21991	0.9
559.23792	0.5
689.24481	43.9
690.24890	9.9
721.26801	10.5
722.27051	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	721.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26974	1.9
57.24498	1.9
59.01250	33.5
60.02705	1.7
61.98703	54.0
68.99677	2.0
70.42973	7.2
71.01253	88.3
72.99171	4.7
73.02818	4.4
75.00756	4.1
78.95774	6.9
79.95622	2.3
80.96391	6.0
81.03337	3.5
83.04889	8.0
84.02027	2.8
85.02821	8.1
87.00742	6.0
89.02310	9.0
95.01241	2.1
96.95879	2.3
97.02832	7.8
99.00744	7.9
101.02313	10.9
105.63104	1.8
109.06466	14.4
110.03532	2.4
110.96857	2.0
113.02331	12.5
117.03336	4.2
119.03454	2.3
121.02683	2.2
123.04370	2.9
125.02370	2.2
125.09594	5.5
133.02866	14.5
134.03545	3.4
135.04411	19.0
136.04761	3.1
145.02840	9.5
151.03841	2.8
161.02339	26.3
161.04448	5.1
162.02692	6.4
163.11137	13.0
165.12767	3.9
171.10199	22.2
179.03438	24.9
180.03719	5.7
181.12270	8.7
185.11777	2.6
197.11632	3.3
199.13342	5.8
201.11234	8.4
207.10207	33.2
208.10492	3.2
209.11772	100.0
210.12119	9.5
211.13351	6.2
215.07002	3.2
225.08975	2.4
225.11275	40.2
227.12828	15.1
231.10233	2.0
235.08195	6.4
243.12315	7.1
253.09286	13.3
267.00916	2.2
302.04050	2.3
397.13437	3.1
415.14420	2.3
455.31171	3.2
457.04288	2.6
461.20056	6.7
499.30682	4.1
548.82098	2.4
615.72668	2.3
624.20135	2.7
671.32550	5.7
689.34119	12.2
698.96307	2.3
721.26300	5.7
721.38562	14.8
722.37091	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.4
58.00458	0.6
59.01252	11.4
60.99164	0.8
61.98709	2.2
68.99671	0.3
69.34325	2.2
71.01252	5.7
71.04898	2.9
72.99191	0.4
73.02815	6.5
75.00741	0.6
83.01251	1.2
83.04893	1.3
85.02845	1.8
87.00726	0.6
89.02311	1.0
95.01257	0.7
97.02830	0.3
97.06504	0.3
99.00738	0.6
101.02328	3.5
107.04921	0.3
109.02785	0.5
113.02332	2.4
125.02353	0.4
132.02081	0.4
133.02849	5.0
134.03227	1.2
135.04434	4.7
136.04742	1.2
137.02330	0.7
143.69270	0.3
145.02840	0.5
150.03101	0.5
160.01599	0.3
161.02353	10.4
161.04395	0.4
162.02686	2.6
163.02841	0.9
163.11147	0.6
171.10161	1.0
177.01849	0.5
178.02597	0.4
179.03409	7.3
180.03773	2.1
181.03992	0.9
181.12274	0.7
197.11783	0.3
207.10161	0.5
209.11813	2.4
225.11266	1.1
227.12886	0.5
233.04533	0.3
243.12294	0.5
251.05556	0.3
253.06230	0.3
298.45044	0.3
299.02155	0.3
314.04196	0.7
325.09070	0.3
326.32104	0.3
328.05972	0.4
329.06717	1.6
330.07101	0.4
377.28543	1.3
393.31543	0.3
395.29489	0.8
403.26108	0.4
411.32727	0.6
419.29599	1.5
421.27554	0.3
437.30545	8.6
438.30920	1.6
455.31628	6.4
456.31900	1.0
462.73566	0.3
473.32663	0.6
487.14590	0.7
487.30423	0.6
488.14835	0.7
489.15182	0.9
499.30661	4.4
500.30997	0.5
517.31726	12.9
518.32123	1.8
559.32666	1.4
623.19226	0.7
624.19623	1.3
652.19977	0.3
661.36066	1.2
689.33783	2.3
690.34381	0.5
721.27209	4.7
721.38019	100.0
722.28033	0.8
722.38385	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	721.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62684	0.3
55.01755	0.5
57.03320	0.3
58.00465	0.3
59.01250	14.1
59.58586	0.3
66.72197	0.3
67.01730	0.3
69.03307	0.5
69.17107	0.4
69.17507	2.5
71.01256	5.4
72.99180	0.5
73.02819	0.8
78.95779	0.3
79.80732	0.3
80.02556	1.0
81.03337	2.9
83.01259	1.2
83.04904	3.1
84.02044	0.4
84.17051	0.3
85.02822	1.9
87.00732	1.1
89.02309	4.4
93.03318	0.6
95.01267	0.6
95.04916	0.4
97.02834	6.1
97.06513	0.4
99.00774	1.1
101.02326	5.5
106.04110	0.5
107.04904	1.1
109.06477	35.0
110.03611	1.2
110.06807	1.1
113.02338	2.7
115.08528	0.3
119.03387	1.1
121.06490	1.9
123.04433	0.7
125.09632	0.7
129.01860	0.3
133.05046	0.3
133.06444	0.4
135.08070	3.5
136.05197	1.3
142.02638	1.5
143.03383	0.5
145.04939	0.4
147.08041	0.4
161.04523	1.6
161.09566	1.6
163.11197	20.1
164.11533	1.1
165.09137	0.3
179.05531	0.9
179.10744	0.5
181.10757	0.5
181.12280	4.3
189.09148	2.8
207.10205	100.0
208.10536	6.2
209.11765	1.4
221.11703	0.5
225.11278	35.7
226.11609	2.1
235.08163	2.8
243.12437	0.7
253.09262	13.6
254.09714	0.7
277.21719	78.7
278.22070	7.9
281.13889	0.7
299.14905	1.3
381.18945	0.3
406.47821	0.3
423.32813	0.6
441.33847	1.8
443.19171	4.9
461.20276	13.6
462.20462	1.5
467.31583	0.6
485.32935	0.6
559.36328	0.5
560.36847	0.4
703.40228	0.9
721.41681	28.7
722.42029	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	721.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.5
57.03313	0.5
58.00491	0.2
59.01250	7.3
61.98700	3.5
69.03333	0.3
71.01252	4.1
72.99179	0.3
73.02809	1.4
75.00744	0.4
77.72291	0.2
78.95771	0.3
80.02572	0.4
81.03334	1.3
83.01252	1.1
83.04887	1.8
85.02817	1.4
87.00758	1.0
89.02305	2.4
95.01272	0.5
95.04881	0.3
97.02821	4.1
98.20580	0.5
99.00757	1.2
101.02315	4.4
107.04909	0.5
109.06473	14.9
110.03624	0.8
110.06789	0.6
111.00770	0.5
111.04408	0.3
113.02335	1.9
114.98376	0.2
119.03393	0.6
120.63290	0.2
121.06490	1.0
123.04401	0.4
125.09658	0.4
129.01790	0.3
131.03319	0.2
133.04945	0.4
135.08051	2.6
136.05170	0.9
141.01889	0.2
142.02588	1.2
143.03395	0.3
145.04956	1.3
145.10179	0.4
161.04488	1.4
161.09616	1.3
163.09811	0.6
163.11186	9.9
164.11504	0.6
178.11290	0.2
179.05521	0.4
179.10756	0.4
181.12268	1.7
189.09065	1.8
195.10217	0.2
207.10196	53.9
208.10562	3.0
209.11752	1.2
218.10997	0.3
225.11266	15.7
226.11661	0.7
233.22517	0.3
235.08205	6.4
243.12407	0.4
253.09256	9.6
254.09615	0.5
259.20590	0.4
277.21707	100.0
278.18997	0.6
278.22034	9.5
281.13968	0.4
299.14969	0.7
395.01834	0.2
441.33633	0.7
443.19125	2.8
461.20251	3.9
462.20926	0.5
467.31686	0.8
485.32669	0.6
513.30920	0.3
578.97418	0.3
703.40118	0.8
704.41180	0.3
721.41632	24.8
722.41895	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	721.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.5
56.30968	0.6
57.03323	1.2
59.01247	9.2
61.98699	2.0
69.03326	5.7
69.19345	0.5
71.01257	4.5
71.04877	1.4
72.99194	0.6
73.02814	0.7
78.95782	2.6
83.04880	1.1
85.02834	1.0
89.02321	3.8
93.03314	0.7
95.04916	1.0
97.06441	1.0
101.02319	4.8
109.06456	1.0
111.08044	1.8
113.02306	2.7
119.03373	1.3
145.04929	0.6
146.38597	0.6
152.99538	1.4
153.09106	1.4
161.04453	1.5
163.11194	1.1
165.09079	0.9
165.12766	4.9
171.10201	0.6
179.05524	0.7
179.14217	0.7
181.12267	6.1
191.10725	10.8
195.13831	9.1
196.14297	1.3
205.12242	1.7
207.10187	2.4
209.11772	100.0
210.12103	5.1
211.13347	0.8
223.13348	16.4
224.13739	1.1
225.11348	1.3
228.13687	0.8
235.08192	4.9
253.09273	18.7
254.09579	1.0
256.13150	1.3
264.11911	0.7
275.20181	6.2
277.21777	0.7
279.19635	11.4
280.20016	0.8
293.21225	83.1
294.21570	7.5
445.20749	9.9
446.21024	1.3
459.22327	1.4
485.32867	0.9
529.30090	1.3
698.56390	0.7
721.40662	1.8
722.41840	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77110	0.9
55.01740	3.0
56.37591	1.2
57.03316	3.1
58.00457	3.5
59.01249	61.3
61.98704	6.5
66.50397	0.8
69.33323	3.0
69.33747	3.8
71.01253	62.0
72.99172	3.5
73.02818	10.7
75.00752	1.7
83.01252	8.6
85.02819	24.2
87.00742	6.2
89.02315	32.0
89.49775	0.9
92.64317	0.8
95.01247	6.5
97.02837	1.7
99.00725	5.1
101.02318	38.2
111.00761	2.5
113.02324	25.1
115.00136	0.9
117.03380	2.3
119.03395	11.1
119.04865	2.2
120.99686	0.8
121.02773	0.9
125.02297	1.7
129.01796	2.7
131.03381	2.6
135.04372	1.5
143.03435	2.2
145.02847	8.7
146.03192	0.9
149.02429	0.9
159.02908	2.1
161.02322	3.6
161.04451	6.3
163.04015	1.9
164.83229	1.0
179.03418	1.3
179.05508	2.7
221.06549	2.2
263.07718	1.0
272.68558	1.1
354.65320	1.0
399.23975	4.2
399.28580	1.4
454.67697	1.0
466.91513	0.9
501.32239	10.0
543.27869	1.7
561.29132	53.8
562.29254	7.9
594.88885	1.0
652.02881	1.0
723.34485	100.0
724.24365	0.7
724.34851	18.4
750.38257	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	10.0
61.98705	29.5
69.73950	3.3
71.01251	8.0
71.04876	0.7
72.98783	1.3
72.99181	25.0
73.02804	2.2
73.99509	0.7
75.00748	0.9
78.91764	3.9
78.95776	3.2
79.95625	0.7
80.96341	0.8
83.04871	1.1
85.02807	2.4
87.00749	1.2
89.02342	3.5
95.04928	1.2
97.02808	1.5
98.19768	0.8
99.00733	0.7
101.02310	3.5
109.06501	4.1
113.02300	3.4
114.27881	0.7
119.03387	1.6
124.91402	0.8
125.09676	0.8
133.02827	0.9
152.99426	1.1
160.01532	0.9
161.02370	1.4
161.04456	1.0
163.11214	3.5
171.10126	1.3
179.03404	1.2
199.13249	0.7
207.10196	9.7
209.11786	4.2
215.22557	0.7
223.13396	1.8
225.11305	7.2
227.12796	1.8
230.09418	1.4
235.04565	0.8
249.69533	0.7
253.09177	1.7
266.59552	0.8
349.31580	0.8
367.77374	0.9
415.21503	0.9
461.20255	2.1
469.33292	0.9
487.34518	4.5
501.31641	1.1
525.32336	0.9
543.33234	34.6
544.33630	5.6
572.57135	0.8
625.28491	1.7
651.30164	2.4
669.31500	2.0
723.39636	100.0
724.39954	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.3
58.00482	0.3
59.01250	28.1
60.01578	0.3
61.98707	3.7
71.01263	1.1
71.04915	0.8
72.99184	0.2
73.02826	0.4
75.00765	0.2
78.95808	0.2
83.01268	0.2
83.04901	0.3
85.02840	0.4
87.00739	0.2
88.98738	0.3
89.02303	1.0
91.00626	0.2
101.02325	1.0
113.02328	1.0
117.03370	0.3
119.03406	0.7
119.04938	0.3
133.02824	0.3
135.04399	0.4
141.67509	0.2
145.02873	0.8
161.02379	0.9
161.04492	0.4
163.03915	0.5
201.11264	0.4
209.11765	1.5
218.75375	0.2
291.77417	0.2
337.57114	0.2
352.16708	0.2
381.97888	0.2
393.31760	0.3
401.28049	0.2
419.29367	0.5
421.31000	1.3
422.31845	0.2
441.30148	0.6
457.33136	0.7
471.21960	0.2
483.31137	7.1
484.31604	1.0
501.32214	100.0
502.32568	17.3
541.20453	0.2
543.33374	0.6
616.34613	0.2
643.33533	0.2
663.37823	1.0
723.33990	0.6
723.39209	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89264	0.3
57.03319	0.6
58.00464	0.5
59.01250	14.8
61.98705	5.0
66.66927	0.4
69.22228	2.2
71.01253	2.8
72.99168	0.7
73.02809	1.9
83.04885	0.6
85.02811	1.0
87.00748	0.8
89.02303	1.7
95.01231	0.4
101.02295	2.7
111.83485	0.4
113.02342	2.2
119.03367	1.3
133.02881	0.9
135.04413	1.2
147.04402	0.4
161.02339	2.8
164.66330	0.4
171.10156	0.6
179.03429	1.9
179.05644	0.6
180.03772	1.1
189.12798	0.5
257.08081	1.1
303.06067	0.4
321.20602	2.0
357.25845	1.5
359.24359	0.5
371.26068	0.4
375.26901	0.6
405.27921	1.0
407.29678	0.6
409.31369	0.6
417.27991	1.1
419.30014	0.6
423.29034	1.3
425.31552	2.4
427.31683	0.4
433.27710	0.9
437.30801	2.5
441.30063	2.6
441.71005	0.4
442.30649	0.4
453.30200	3.1
455.31619	13.5
456.32126	2.2
457.33224	17.9
458.33505	3.4
471.31149	5.6
472.31253	0.7
481.81476	0.4
483.31033	1.6
487.30826	2.2
489.32202	100.0
490.32523	15.0
501.32208	10.1
502.32492	1.2
507.33267	3.0
515.33978	0.7
533.31238	10.4
534.31335	1.8
543.33093	3.9
544.33722	0.7
663.37555	1.4
691.34515	0.8
722.62537	0.4
723.40021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11057	0.9
55.01764	7.4
57.03325	5.2
58.00465	3.1
59.01254	93.6
61.98704	19.5
69.03355	1.5
71.01256	77.8
71.04886	1.5
72.01585	1.4
72.99177	4.8
73.02819	27.1
75.00749	2.8
81.03362	0.9
83.01253	16.5
83.48848	1.1
85.02827	41.5
85.45477	1.0
87.00763	3.4
88.98692	1.6
89.02313	13.3
95.01261	5.5
97.02825	2.9
99.00768	10.4
101.02325	83.6
102.02701	1.2
111.00746	1.3
113.02333	30.2
114.02680	1.1
117.00888	1.0
118.98010	2.5
119.03403	4.6
125.02335	2.9
128.81126	1.0
129.01855	2.1
132.34401	1.0
133.02866	3.4
135.04448	3.6
136.04774	1.9
137.02388	1.3
138.38695	0.9
143.03381	3.1
159.02922	6.9
161.02473	5.8
161.04460	44.4
162.02730	2.2
162.04855	1.2
179.03424	4.6
179.05537	2.2
180.03708	1.9
205.03487	1.5
209.11758	1.8
225.11143	1.3
229.25368	1.2
406.90448	1.2
419.30002	1.4
421.31424	2.2
431.20770	1.2
437.30551	1.3
439.32147	3.1
457.33350	3.7
471.31177	3.7
501.32227	13.0
502.32462	2.6
596.86023	1.1
601.37439	39.9
601.47192	1.9
602.37750	6.2
619.38513	46.0
620.38806	11.4
633.36694	4.3
635.28802	1.1
663.37518	100.0
664.37793	23.3
723.40247	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	723.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.4
57.03325	0.4
58.00469	0.4
59.01253	30.8
60.01595	0.4
61.98705	2.1
69.22507	0.8
69.22931	0.9
71.01257	4.1
71.04899	0.3
72.99197	0.7
73.02827	0.9
82.62349	0.2
83.01242	0.5
83.04888	2.3
85.02817	1.4
87.00757	0.4
89.02315	2.5
93.03349	0.6
95.01291	0.4
96.95918	0.2
97.06464	0.3
98.19781	0.4
99.00761	0.4
101.02324	3.8
106.07827	0.2
113.02329	3.5
119.03410	1.9
119.04887	0.4
121.02863	0.3
123.04401	0.3
128.03453	0.3
132.02089	0.4
133.02876	0.9
134.03566	0.4
135.04410	0.9
137.02351	1.0
137.97252	0.2
145.02888	0.9
149.02316	0.3
149.05910	0.2
150.03149	0.6
152.01015	0.3
154.22345	0.2
160.01555	0.7
161.02356	2.7
161.04422	1.1
162.02713	0.3
163.03932	0.4
165.05511	0.7
167.03435	0.2
175.03951	0.8
176.04846	0.2
177.01749	0.2
179.03355	1.3
179.05592	0.5
193.05046	0.5
218.52115	0.2
221.06619	0.4
265.21320	0.2
311.23495	0.3
323.37671	0.2
330.01682	0.2
341.24884	1.3
353.24841	1.0
361.25195	0.3
373.27380	0.8
389.28537	0.3
391.29858	0.4
399.26547	0.3
407.29395	0.6
417.27994	0.8
419.29691	1.2
420.30347	0.3
421.27145	0.3
429.30072	1.1
433.27350	0.3
437.30557	0.4
451.28583	4.9
452.28726	1.1
457.33566	0.5
471.31033	0.9
483.31107	9.9
484.31418	2.0
489.32309	0.5
501.32230	100.0
502.32571	17.7
515.33728	0.4
543.33502	2.4
544.33746	0.4
573.34723	0.3
663.37634	0.8
723.29437	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.7
57.03333	0.9
57.49797	0.4
58.00464	1.0
59.01251	49.8
60.01593	0.5
60.99179	0.4
61.98706	2.1
71.01255	13.4
72.99190	1.2
73.02818	1.7
83.01257	1.2
83.04898	2.9
85.02821	4.1
87.00752	1.6
89.01759	0.5
89.02311	9.0
89.02834	0.5
95.01282	1.1
96.95912	0.7
97.02853	0.6
98.19764	0.8
99.00810	0.8
101.02317	9.1
111.00862	0.4
113.02328	6.6
119.03381	4.7
119.04918	1.0
122.06042	0.6
125.02370	0.5
131.03418	0.7
133.02844	0.7
134.03674	0.3
134.06058	0.4
135.04420	0.9
143.03369	0.7
145.02864	0.6
152.07065	1.8
159.02901	0.4
160.01462	0.5
161.02353	1.4
161.04463	2.9
179.03429	0.8
179.05597	1.4
221.06610	1.0
227.02258	0.3
275.75909	0.3
305.22656	0.8
387.27103	0.7
405.27911	2.3
417.27908	0.7
429.30103	0.9
435.28906	0.6
451.28238	0.5
457.33203	2.5
471.30869	0.6
483.31137	11.5
484.31430	2.2
501.32227	100.0
502.32574	17.9
515.33789	0.8
543.27466	1.0
543.34332	0.8
561.29169	7.8
562.29736	1.7
597.22852	0.5
629.26611	0.4
633.34991	0.4
641.22351	0.4
663.37329	0.5
673.25275	0.6
723.34424	15.9
724.34662	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	723.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67059	0.7
51.60441	0.7
54.60191	0.7
61.98708	1.1
62.91133	0.8
63.52843	0.6
64.47008	0.8
70.01122	0.7
70.89194	0.9
70.89513	1.0
75.82130	0.7
78.95774	38.0
80.02547	1.4
81.03364	0.8
83.04895	7.8
84.02034	0.8
95.04889	1.2
96.96838	3.6
113.09573	0.7
134.98482	0.6
135.08006	0.9
152.99486	49.4
163.11201	6.6
165.12755	3.0
171.00558	5.7
191.10741	1.6
209.11771	100.0
210.12093	6.1
227.03241	3.4
227.12823	10.6
245.04259	1.2
253.21710	18.3
254.21999	1.6
255.23239	1.4
293.21228	1.5
363.12540	1.7
395.14658	2.4
429.20465	1.9
437.15799	3.6
440.82278	0.7
455.16962	8.0
469.18332	1.2
487.19495	72.7
488.19681	6.8
691.38159	6.2
692.38885	0.9
723.40894	57.1
724.41278	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	723.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.2
56.41869	0.2
59.01248	3.2
60.88604	0.2
70.14764	0.2
70.27408	0.2
70.38590	0.5
71.01251	2.3
73.02818	0.6
80.02555	1.0
81.03334	0.9
83.01247	0.3
83.04900	4.5
84.02053	0.5
85.02826	0.6
85.99978	0.2
87.00788	0.3
89.02322	1.4
95.04918	0.6
97.02856	0.3
101.02317	1.9
109.06470	0.2
113.02329	1.1
119.03406	0.4
125.05969	0.5
125.09603	0.3
129.60419	0.2
135.08058	0.6
143.03465	0.2
147.11739	0.3
161.04486	0.9
163.11200	3.4
164.11519	0.2
165.11507	0.3
165.12778	2.3
165.72908	0.2
179.05484	0.3
181.12193	0.5
191.10692	1.0
199.13354	0.2
209.11772	100.0
210.12106	5.5
225.11325	0.2
227.12849	10.5
228.13181	0.5
235.08237	1.1
236.85762	0.2
253.09268	8.0
254.09665	0.4
263.35709	0.2
277.21722	49.7
278.22070	3.8
398.68774	0.2
445.20764	0.8
463.21909	0.3
561.65759	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38128	0.3
55.01767	0.4
57.03319	0.3
59.01254	6.3
64.44416	0.3
69.20922	0.6
69.21318	2.1
71.01261	4.2
72.28253	0.3
73.02825	0.9
78.95773	0.6
80.02548	0.8
81.03348	1.6
83.01270	0.9
83.04901	3.9
84.02049	0.5
85.02827	1.1
87.00744	1.0
89.02314	2.3
93.03361	0.3
95.04881	0.7
96.88375	0.3
98.20560	0.6
101.02335	3.2
110.69376	0.3
113.02341	1.2
119.03347	0.6
125.05913	0.4
125.44419	0.3
128.26289	0.4
136.58574	0.3
145.04895	0.6
147.11722	0.3
152.99458	0.6
153.12796	0.3
161.04477	1.4
163.11220	3.2
164.11577	0.3
165.12796	2.0
181.12221	0.7
191.10622	1.1
209.11774	93.6
210.12108	4.9
227.12848	10.4
227.15146	0.5
228.13254	0.6
235.08202	4.8
253.09271	9.6
254.09566	0.5
277.21719	100.0
278.22070	8.1
293.21347	0.4
360.58713	0.3
445.20590	0.9
469.14847	0.4
689.29254	0.4
705.36334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.2
55.33337	0.2
59.01251	4.1
61.98695	0.7
66.31657	0.2
67.31625	0.2
69.59526	0.2
71.01249	3.5
72.99187	0.3
73.02813	0.5
73.07110	0.2
78.95779	1.3
80.02551	1.1
81.03326	1.1
83.01254	0.6
83.04897	5.0
84.02044	0.7
85.02821	0.8
87.00737	0.8
89.02322	2.0
93.03380	0.2
95.01310	0.2
95.04900	0.7
97.02821	0.3
97.06445	0.2
98.19729	0.3
101.02315	2.5
109.06501	0.3
111.08061	0.2
113.02329	1.6
115.03904	0.3
119.03379	0.7
125.05975	0.5
125.09582	0.3
135.01730	0.2
135.08038	0.9
143.03415	0.3
152.99524	1.0
161.04486	1.1
163.11197	3.6
165.12735	2.1
179.05496	0.3
181.12260	0.6
191.10704	0.7
199.13348	0.6
207.10181	0.4
209.11769	100.0
210.12096	5.5
227.12848	10.6
227.15157	0.3
228.13184	0.7
229.30707	0.2
233.22493	0.2
235.08177	3.2
253.09258	9.7
254.09668	0.5
255.23293	0.4
259.20575	0.3
262.06085	0.2
275.20016	0.4
277.21719	76.0
278.22073	6.7
350.39948	0.2
443.97281	0.3
445.20743	0.9
469.14648	0.7
469.98566	0.2
705.36224	0.7
723.43188	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.2
57.12523	0.5
58.00452	0.7
59.01250	12.1
61.98688	1.5
63.00064	0.6
71.01256	5.2
71.51831	0.9
72.99168	0.8
73.02815	1.7
78.95786	0.9
80.02570	0.8
83.01238	0.9
83.04895	1.9
85.02838	1.8
87.00765	0.9
89.01830	0.7
89.02295	4.2
92.20858	0.6
95.04909	0.8
101.02338	4.0
109.06480	0.7
113.02320	2.1
161.04489	2.1
163.11223	2.3
165.12732	1.2
166.94308	0.5
170.99606	0.6
171.10245	0.9
177.35075	0.7
179.05466	0.6
181.12193	0.8
183.13853	5.5
191.10643	1.0
193.12369	1.0
195.13824	4.1
199.13316	7.7
207.10190	1.1
209.11783	39.3
210.12102	2.0
211.13341	100.0
212.13678	5.1
223.13388	2.8
227.12842	27.2
228.13368	1.7
235.08174	4.6
253.09267	16.5
254.09486	0.8
275.20093	4.6
277.21719	45.8
278.22134	3.3
293.21222	53.9
294.21469	3.6
295.22919	1.4
346.13351	0.7
445.20715	2.0
447.22476	3.3
463.21948	6.9
487.34445	0.8
695.22736	0.7
719.19208	0.8
723.42267	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	725.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.6
57.03329	0.6
59.01251	30.2
61.98702	25.3
69.15539	4.6
71.01248	6.2
71.01566	0.7
71.04900	0.6
72.99187	0.5
73.02834	1.4
75.00732	0.7
80.97776	0.5
83.04938	0.6
85.02827	4.4
87.00759	1.0
89.02324	2.5
90.98460	1.4
93.03315	0.8
95.01291	1.8
98.20553	1.1
101.02338	4.6
108.02068	1.6
109.02835	1.2
113.02338	6.4
117.03383	1.3
119.03398	1.5
119.04934	1.1
121.02855	1.7
121.06509	0.5
122.03697	0.5
123.04459	1.4
125.02373	0.8
127.03864	0.5
131.54979	0.5
132.02066	16.0
133.02931	2.7
134.03635	22.1
134.04663	1.2
135.04440	1.4
136.01563	11.9
137.02356	3.5
139.03981	0.7
139.07494	0.5
143.03378	0.6
145.02853	2.3
145.06456	0.6
146.51663	0.5
147.04457	1.1
149.02345	0.7
149.05971	3.7
150.03087	0.6
151.00294	5.0
151.03925	13.9
151.05067	1.0
152.01057	3.0
152.04158	0.5
156.22192	0.5
158.03619	0.6
160.01573	67.3
161.02290	4.9
161.04471	3.1
161.05727	0.6
162.03133	3.0
163.03918	1.1
166.02646	14.2
167.03419	3.8
171.10199	0.5
174.03085	1.1
175.03925	80.6
176.04362	4.4
177.01917	0.6
177.05522	3.3
178.02603	1.6
179.03426	2.2
181.05005	10.5
187.03873	0.5
189.05461	0.8
190.02585	0.8
191.07104	2.2
193.04994	20.0
194.05415	1.1
200.04712	0.7
201.05516	2.3
202.02605	0.6
203.07010	1.0
205.04987	1.2
206.05743	0.8
209.11745	0.9
217.04994	1.3
229.08691	0.8
230.09460	5.2
277.07071	0.8
309.07755	1.2
327.21738	1.5
337.09286	76.8
338.09686	6.7
342.11081	1.9
343.11798	1.2
349.82492	0.7
357.09650	1.8
357.13486	5.1
358.10474	1.6
367.10382	0.9
372.12097	1.7
373.12888	13.3
374.13379	1.5
387.14496	8.8
388.14935	1.6
407.29587	0.8
419.28824	0.7
421.31079	1.2
439.32144	1.3
441.29446	3.6
459.34634	1.8
485.32761	17.6
486.33069	1.8
501.32193	1.9
502.32718	4.1
503.33780	100.0
504.34253	7.0
515.15802	0.9
545.34479	0.9
552.26105	0.7
674.19769	0.6
695.23230	0.9
725.24304	25.0
725.35345	1.0
726.24426	4.5
744.31982	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44242	1.3
57.03320	2.6
58.00454	2.9
59.01247	38.5
62.89509	1.1
69.57369	1.2
71.01250	45.0
71.05599	1.5
72.99175	5.3
73.02818	23.7
83.01256	4.2
85.02825	18.2
87.00734	2.7
89.02317	44.7
93.03336	9.0
95.01262	5.8
97.02779	1.4
99.00755	98.2
100.01065	2.8
101.02320	19.2
113.02330	40.6
114.02657	1.7
119.03388	7.1
121.10111	9.0
123.04394	2.0
125.02443	1.5
131.03380	10.9
133.01418	1.2
133.02831	4.3
135.04399	2.9
137.02342	17.6
143.03375	2.1
145.02769	1.4
149.04456	14.1
151.03923	1.9
152.35559	1.3
161.02368	9.6
161.04427	5.9
161.09575	1.1
163.03874	2.1
163.11198	2.4
165.09126	9.6
177.01900	3.0
179.03386	3.4
179.10689	1.2
191.05551	12.8
207.10143	2.7
237.11407	1.3
265.09323	9.0
345.15613	2.5
413.18164	1.7
459.18835	2.3
477.19687	18.8
478.20053	2.1
686.79938	1.4
725.28778	100.0
726.29175	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	725.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31770	0.9
57.03320	3.1
58.00458	1.5
59.01250	38.9
61.98697	3.2
70.29930	0.9
71.01253	32.1
71.52085	1.1
72.01608	1.1
72.99170	4.2
73.02821	12.9
75.00742	1.2
83.01249	1.7
85.02819	17.9
87.00736	2.5
89.02312	28.6
93.03344	1.3
95.01258	4.1
96.95893	4.4
97.02843	1.4
99.00752	60.8
99.04375	1.0
100.01096	1.2
101.02316	14.0
103.03885	24.3
106.00554	0.9
111.00763	1.2
113.02332	27.3
113.96350	1.0
114.02619	1.2
119.03375	2.8
119.04886	2.5
121.10130	5.0
122.65562	1.0
123.04397	1.8
125.02364	1.0
131.03397	6.0
133.02805	2.6
133.92606	1.0
134.03636	1.0
135.04405	2.9
136.45113	0.9
137.02313	1.8
143.03450	1.6
145.02849	3.1
149.04453	11.6
151.03888	1.9
161.02393	5.7
161.04471	7.3
163.03934	4.7
165.09137	7.6
167.03261	1.2
175.03918	1.3
177.01855	1.6
179.03442	5.3
179.05531	1.4
182.78314	1.0
191.05547	11.3
193.05202	1.2
207.10193	1.9
233.06555	1.3
237.11151	2.1
265.09262	6.5
287.38217	1.1
297.13458	1.3
327.14496	1.5
345.15439	2.0
459.18707	6.5
477.19742	10.6
478.20059	2.2
503.33795	43.9
504.34079	5.8
639.18091	1.1
725.28766	100.0
726.29211	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	725.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84666	0.3
59.01251	35.1
60.01583	0.4
61.98707	0.8
69.28646	2.8
71.01244	1.0
89.02317	0.5
94.37198	0.3
94.61745	0.3
98.19804	0.7
101.02322	1.2
107.96535	0.3
113.02323	1.1
115.26987	0.3
119.03430	0.7
141.39882	0.4
161.04428	0.6
164.70547	0.3
194.18173	0.3
277.31918	0.3
343.24652	0.4
373.02618	0.4
379.29669	0.3
407.29761	0.7
409.31345	2.0
417.27982	0.5
421.31055	2.6
422.31631	0.4
425.30453	0.7
441.28345	0.4
441.33783	4.2
442.34259	0.9
457.33191	2.2
473.32941	1.8
485.32748	2.5
503.33783	100.0
504.34137	14.8
545.34717	1.9
546.35303	0.7
665.38312	0.8
725.41016	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02624	0.5
59.01250	42.2
60.01572	0.7
61.15503	0.6
61.98690	2.4
71.01245	1.9
72.99162	1.3
73.02808	0.9
76.69420	0.5
83.01248	0.5
85.02823	0.9
89.02294	1.4
93.32964	0.5
98.20518	1.2
101.02334	2.3
102.02868	0.5
113.02316	1.7
119.03382	0.9
161.02344	0.7
204.88603	0.6
248.04546	0.5
287.29477	0.5
327.21555	0.8
363.27127	1.1
379.30008	1.5
382.11209	0.7
391.30020	1.3
409.31186	6.9
421.31189	3.1
441.33960	3.0
453.29974	3.6
457.33328	1.7
473.32602	1.7
485.32745	2.2
503.33780	100.0
504.34100	18.0
545.34937	1.9
665.39661	1.0
725.41278	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	0.8
57.24551	0.7
58.00465	2.9
59.01252	43.6
60.99179	3.7
61.98698	2.1
71.01263	6.1
71.04534	1.0
71.04897	11.8
71.29212	0.8
72.64870	0.7
72.99191	1.1
75.00748	1.6
85.02812	1.4
85.06455	1.0
87.82217	0.7
89.02314	4.5
97.06503	0.7
101.02341	6.8
113.02333	5.3
119.03376	3.0
148.36255	0.7
160.01498	0.7
161.04494	1.3
171.57639	0.8
187.97633	0.7
205.15881	4.3
321.22131	1.2
337.25351	2.4
339.26904	1.0
351.26877	1.5
355.26324	2.6
367.26407	0.8
369.28024	2.9
393.27991	1.6
407.29550	1.9
409.31119	3.5
413.27078	1.7
421.31064	3.0
423.32825	13.7
424.33173	2.1
437.30670	2.8
439.32172	19.1
440.32587	2.6
441.33725	100.0
442.34088	14.5
443.31741	6.1
455.31793	2.9
459.34842	11.0
460.35141	1.7
473.32639	7.8
474.33038	1.3
485.32733	48.8
486.33017	7.8
503.33801	39.8
503.41327	1.4
504.34189	5.6
517.35400	2.2
545.34595	3.9
575.35437	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92094	0.9
57.03940	0.9
58.00465	3.5
58.88621	0.9
59.01251	64.6
60.13776	1.0
60.99180	9.0
61.98705	7.4
66.29662	0.9
71.01257	10.6
71.04898	12.7
71.28886	1.4
71.29241	1.2
72.99184	1.3
73.02825	1.1
75.00734	3.2
78.62048	1.0
81.09101	0.9
83.04923	1.1
85.02821	4.3
86.06033	0.9
88.87109	1.0
89.02312	6.8
97.06446	1.0
101.02321	7.2
107.05253	1.0
112.01672	0.9
113.02330	7.1
113.03030	1.6
119.03399	4.3
161.04474	2.6
205.15973	5.3
236.92346	1.0
267.77603	1.0
327.21396	1.9
337.25272	1.2
351.26932	3.0
355.26379	3.7
369.28104	6.3
378.20050	1.1
379.29962	1.6
389.26990	2.9
399.25113	1.4
401.26901	1.7
409.31058	2.4
413.26849	3.4
423.32742	14.2
424.32990	2.5
437.30435	2.3
439.32101	8.2
441.33728	65.4
442.34045	8.9
443.31790	4.4
444.31967	1.0
455.31708	5.7
457.33237	7.8
458.33765	1.0
459.34708	5.5
473.32635	22.7
474.33215	2.9
483.31415	1.1
485.25659	1.9
485.32654	27.2
486.33105	4.6
491.33743	4.3
503.33801	100.0
504.34167	18.2
517.35449	7.1
518.35229	1.2
545.34790	10.4
546.35059	2.6
575.36353	1.5
725.40643	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27094	0.3
59.01251	40.2
60.01589	0.6
60.72694	0.3
61.98696	1.0
71.01246	0.8
71.04876	0.8
75.38863	0.4
76.60689	0.3
85.02818	0.6
89.02312	0.8
101.02328	1.2
113.02322	1.0
116.09610	0.3
119.03388	0.8
145.02846	0.6
161.04457	0.4
163.03873	0.4
172.65556	0.3
210.56760	0.3
214.82440	0.4
230.20844	0.3
393.31564	0.6
419.29440	0.8
443.31668	0.5
453.30179	0.4
485.32776	8.0
486.33118	1.3
503.33774	100.0
504.34152	16.7
665.39441	1.2
725.41327	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38663	0.2
57.03321	0.4
58.00467	0.4
59.01250	32.4
60.01570	0.4
61.98703	2.3
62.07493	0.2
63.28296	0.2
67.29462	0.2
69.03335	0.2
70.92862	0.3
71.01254	4.0
72.99187	0.7
73.02821	0.7
75.00742	0.4
82.67826	0.2
83.01271	0.6
84.05608	0.2
85.02814	1.6
87.00757	0.3
89.02320	2.5
93.03350	0.3
95.01274	0.6
96.95882	0.4
99.00774	1.1
101.02319	3.5
102.22121	0.2
108.02057	0.4
109.02847	0.2
113.02332	3.0
114.02684	0.2
117.03353	1.2
119.03390	1.3
119.04922	0.9
123.04346	0.2
130.80594	0.2
131.03470	0.2
132.02089	0.2
133.02844	1.1
134.03609	0.3
135.04434	2.0
136.01579	0.5
137.02336	1.1
143.03409	0.4
145.02847	4.6
146.03163	0.3
149.02338	0.2
149.04427	0.2
151.03920	0.6
160.01576	0.6
161.02390	2.4
161.04443	1.4
163.03899	0.3
165.01851	0.4
165.05551	0.2
165.09116	0.4
171.10172	0.2
175.00240	0.3
175.03879	0.6
177.01857	0.6
179.03407	1.6
179.05486	0.4
190.02721	0.5
193.04941	0.5
201.11151	0.5
205.05035	0.4
233.06728	0.2
237.11340	0.2
248.20572	0.2
253.09305	0.4
281.06750	0.3
307.08353	0.9
367.10260	0.7
417.11804	0.9
427.32187	0.3
439.32037	0.6
459.19092	0.3
459.34698	0.5
461.15393	0.2
471.25717	0.3
487.12589	0.2
489.26968	0.5
503.33768	100.0
504.34119	14.6
504.39832	0.3
517.35449	0.5
545.34790	2.0
546.35248	0.2
563.24756	0.3
575.35114	0.2
589.15991	0.3
613.92029	0.2
665.38965	1.5
666.39087	0.4
693.20306	0.4
725.20795	0.6
725.31549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73217	1.5
55.01773	1.1
55.42011	1.1
58.29477	1.0
59.01250	15.2
61.98706	14.3
62.83226	1.1
70.84617	1.5
70.84947	2.5
71.01260	8.3
75.00732	2.8
83.01260	1.4
85.02821	3.7
87.00784	1.4
89.02303	7.0
99.48529	1.3
101.02328	9.4
113.02325	4.5
119.03369	2.4
133.02809	1.3
135.04434	2.0
138.20973	1.3
161.02386	1.5
179.03331	1.7
194.42870	1.3
207.10223	2.3
209.11787	3.6
210.12076	1.4
225.11209	1.9
441.33514	1.5
485.32843	3.3
503.33798	16.5
504.34177	2.0
526.88330	1.3
653.31793	1.5
665.39056	100.0
666.39380	19.1
739.76337	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84988	0.5
57.03326	2.5
59.01254	7.9
61.98703	3.5
68.72478	0.5
71.01252	4.5
71.09483	1.0
73.02817	1.3
83.04900	1.3
85.02825	1.6
87.00740	0.8
89.02306	3.3
95.04918	1.6
95.14669	0.5
96.95892	0.8
97.06468	6.5
101.02329	4.2
113.02341	2.0
145.04987	0.8
149.09630	0.8
151.11198	17.0
151.85924	0.6
152.11510	1.0
152.99612	0.6
161.04463	1.5
169.12259	46.3
170.12589	2.0
179.14388	0.8
195.10184	3.0
195.13860	6.3
196.14514	0.9
205.12357	1.0
207.10426	0.7
213.11259	6.4
223.13312	4.7
235.08228	0.9
253.09204	4.0
267.10266	0.6
275.20190	3.2
293.21228	25.9
294.21588	2.0
338.21246	0.6
361.11179	0.6
369.88000	0.6
398.70645	0.6
431.19073	1.6
449.20346	3.5
480.71490	0.5
503.34036	1.6
524.68860	0.6
724.49738	0.7
725.41174	100.0
726.41498	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.4
60.01586	0.2
61.98703	100.0
62.98409	0.2
66.61868	0.1
70.99671	0.3
71.01254	2.3
72.99200	0.3
73.02824	0.6
75.00742	1.0
78.95779	0.3
80.19366	0.2
83.01267	0.3
85.02839	1.1
86.03162	0.2
87.00726	0.2
88.98688	0.3
89.02299	0.9
89.55006	0.2
99.00755	0.4
101.02318	1.7
102.02675	0.3
103.14999	0.2
103.50126	0.2
113.02342	1.5
119.03374	0.2
121.02866	0.2
133.02875	0.9
134.03667	0.3
135.04433	1.2
143.03539	0.2
145.02924	0.2
161.02365	1.7
161.04494	0.6
162.04854	0.2
178.02779	0.2
179.03429	1.8
180.03644	0.2
207.10245	0.3
209.11734	1.3
210.12067	0.3
211.13399	0.3
225.11301	0.4
227.12772	0.3
268.73474	0.2
347.69791	0.2
370.90668	0.1
374.23935	0.2
414.11853	0.2
503.33969	0.4
504.34085	2.1
505.34128	0.2
578.28046	0.2
604.38379	0.4
618.97943	0.2
622.39734	0.5
665.39258	0.2
666.38776	1.3
667.40399	0.2
682.37708	0.9
726.36774	0.3
750.32617	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.1
57.03331	0.2
58.00467	0.3
59.01252	5.0
60.01589	0.2
60.99179	0.6
61.98703	100.0
71.01255	2.3
71.04881	0.2
71.52139	0.2
72.99187	0.3
73.02826	0.4
75.00751	0.2
83.01278	0.2
85.02813	1.2
87.00768	0.3
88.98714	0.3
89.02323	2.5
95.01268	0.3
99.00768	0.2
101.02319	1.4
113.02319	1.7
119.03392	1.3
120.01130	0.3
121.02850	0.2
125.02329	0.2
131.03471	0.2
132.02087	0.2
133.02863	0.9
134.03687	0.2
135.04420	1.0
137.02327	0.3
139.71410	0.1
143.03421	0.4
145.02838	0.3
151.03926	0.2
161.02382	1.8
161.04526	0.6
165.05409	0.2
168.93710	0.2
177.01842	0.2
179.03430	1.1
179.05560	1.2
180.03793	0.2
181.04684	0.1
207.10275	0.3
209.11797	0.8
210.12093	0.3
225.11328	0.8
226.11757	0.2
227.12816	0.3
230.09430	0.6
231.09814	0.2
257.08405	0.2
304.44296	0.1
327.21881	0.4
328.22208	0.4
355.17764	0.3
373.18762	0.8
423.32822	0.2
441.33707	1.4
442.25836	0.2
443.35306	1.0
446.63751	0.2
455.31262	0.2
457.32858	0.3
458.33002	0.3
471.32025	0.2
475.34418	0.5
485.33051	0.2
486.33270	0.3
487.34103	0.7
489.32483	0.5
490.32623	1.0
491.32941	1.0
492.32782	0.9
503.33972	0.7
504.34052	1.7
505.35367	7.6
519.36951	0.2
531.33307	0.3
534.31793	0.2
546.35242	0.3
665.38562	0.2
666.39435	1.6
667.39233	0.3
726.36749	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.2
61.01673	0.1
61.98702	100.0
69.90179	0.1
69.90512	0.6
71.01269	0.5
73.02837	0.1
85.02843	0.2
89.02333	0.2
101.02354	0.4
113.02344	0.3
119.04923	0.2
121.52353	0.1
135.04492	0.2
145.02855	0.2
206.15898	0.1
212.07318	0.1
230.47423	0.1
353.57413	0.1
484.31754	0.4
485.32016	0.3
486.32297	0.2
501.32816	0.4
502.32568	1.5
503.32996	1.9
504.33200	2.5
505.35355	0.9
642.86133	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	2.0
57.03301	1.7
58.00477	1.8
59.00964	1.8
59.01251	38.6
61.98705	81.9
62.98368	1.9
69.03342	1.4
71.01247	29.7
72.01604	1.6
72.99158	3.3
73.02798	4.7
82.44719	1.6
83.01254	2.6
85.02824	15.3
85.33468	1.7
87.00736	2.8
87.25985	1.7
89.02315	13.5
93.03333	20.2
95.01239	5.8
97.02806	1.6
98.20507	2.0
99.04416	2.0
101.02328	16.3
107.04895	2.0
108.02053	58.2
108.36078	1.6
109.02857	37.1
110.03139	2.7
113.02337	12.4
117.03292	2.5
119.03346	4.1
119.04883	2.7
121.02843	4.1
123.00704	2.8
123.04385	7.0
125.02318	1.9
130.16685	1.5
133.02844	8.2
134.03665	2.3
135.04442	11.1
137.02339	38.3
138.02673	2.0
145.02872	8.0
147.04478	1.5
150.03093	3.2
151.03880	4.8
152.01062	77.5
153.01859	28.8
153.05447	6.9
160.01556	2.3
161.02388	16.9
161.04469	3.7
161.13194	1.7
163.03891	5.1
165.01784	3.5
165.05409	2.6
175.03883	3.8
177.01828	3.5
178.02531	2.3
179.03412	10.6
179.05498	2.5
185.09360	1.5
187.11157	4.0
193.04892	4.4
205.12148	1.7
281.33044	1.6
304.44730	1.6
307.08469	2.3
315.07181	19.1
323.07831	1.8
327.21432	1.9
328.22076	4.5
329.22290	1.6
494.75644	1.5
503.19098	11.3
503.33188	3.4
504.33838	11.7
505.35370	26.4
519.33563	1.5
531.15271	1.9
547.18115	32.9
548.18268	4.0
565.19086	1.8
664.47504	1.7
727.24438	100.0
728.24725	24.7
757.41058	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00958	0.5
55.01744	1.0
57.03313	1.5
58.00457	1.3
59.01250	28.4
61.98703	20.5
68.15040	0.5
68.99694	0.7
69.03310	0.7
70.89963	1.1
70.90307	0.8
71.01253	18.7
72.99177	2.1
73.02805	1.9
75.00736	2.4
78.95767	0.6
79.05400	0.5
81.03314	1.1
83.01241	1.5
85.02815	9.3
87.00747	0.7
89.02312	9.0
93.03333	9.1
95.01257	3.4
95.04913	0.6
96.95914	0.9
99.00752	2.1
101.02332	8.1
107.04874	0.9
108.02052	47.4
109.02851	28.2
109.03614	1.0
110.03172	0.7
113.02336	6.9
113.09811	0.6
117.03339	1.9
119.03379	2.1
119.04929	3.3
121.02812	1.6
123.00753	2.0
123.04439	3.0
125.02315	1.0
133.02820	1.9
134.03619	1.8
135.04401	2.8
137.02339	20.6
138.02632	0.8
139.03857	0.6
145.02881	5.5
149.02342	0.7
149.06058	1.0
150.03128	1.0
151.03929	3.0
152.01056	60.1
153.01846	21.5
153.05450	2.2
154.02180	0.5
160.01537	0.8
161.02373	3.2
161.04414	2.0
161.13252	1.9
163.03963	3.7
165.01782	2.3
165.05484	0.6
175.03879	0.7
179.03386	3.1
179.05537	1.0
187.11229	3.1
193.04903	1.8
205.12251	1.1
213.09309	0.7
253.09248	1.2
271.08032	0.7
275.46402	0.5
300.56528	0.5
307.08304	1.9
315.07233	17.5
316.07397	2.0
337.09177	0.9
345.15524	1.4
375.20300	0.6
419.13681	3.4
451.54868	0.6
461.20288	2.5
476.53146	0.6
487.30215	0.7
491.28510	0.8
503.19250	8.1
504.19434	1.2
504.34082	1.7
505.31451	6.8
506.32104	0.6
529.17084	0.6
547.18085	14.2
548.18396	1.6
565.19269	2.1
627.22601	1.5
727.24365	100.0
728.24725	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	727.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.7
55.58146	0.6
57.03336	5.3
58.00459	0.6
59.01251	18.6
60.32715	0.5
61.98702	8.9
68.99680	0.8
69.03312	1.6
70.92704	0.9
70.93049	0.8
71.01254	24.5
71.59330	0.6
72.98786	0.6
72.99181	10.2
73.02816	8.2
75.00753	0.8
83.01263	4.5
85.02301	1.0
85.02821	18.1
86.00002	0.9
87.00755	2.7
89.02321	6.0
93.03339	1.7
93.05989	0.7
95.01282	3.0
96.95876	0.8
97.02814	2.9
99.00748	6.9
101.02322	20.8
103.03200	1.3
103.03889	23.5
104.04230	0.8
108.02055	1.2
109.10345	0.6
111.00744	0.8
112.01540	2.2
112.64018	0.6
113.02340	12.9
117.03336	1.3
119.03384	1.4
119.04908	3.3
123.00710	0.9
125.02310	1.2
133.02808	1.1
135.04402	2.2
137.02374	3.9
137.05995	1.9
138.02766	0.6
143.03383	1.4
145.02875	4.5
151.03839	1.2
159.02910	1.3
160.01527	1.1
161.02354	3.5
161.04453	3.4
163.03908	1.8
175.03915	1.0
177.01822	0.8
179.03418	3.2
179.05437	0.6
185.11685	1.3
193.01530	0.7
193.05037	1.1
237.14813	1.4
247.08237	0.9
265.09329	5.8
281.06638	1.4
303.18039	3.4
307.08340	1.5
329.16031	3.7
347.17062	7.5
389.17996	1.8
398.39597	0.9
419.13495	1.3
461.20328	14.3
462.20688	2.6
479.21338	18.4
480.21695	2.1
505.35379	4.4
521.22638	1.4
533.00317	0.7
595.26074	0.9
727.30304	100.0
728.30658	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.6
57.03312	3.0
58.00457	1.4
59.01250	32.4
60.01583	1.6
61.98703	100.0
69.03320	1.7
71.01255	28.8
72.99188	2.9
73.02813	10.4
81.03313	1.3
83.01261	6.2
85.02822	16.8
87.00752	97.9
88.01075	1.3
88.33064	1.0
88.98698	1.3
89.02312	9.0
91.18104	0.9
95.01254	3.4
96.95923	1.6
96.96572	1.0
97.02844	2.6
99.00764	4.4
101.02328	21.0
102.02689	1.1
108.02016	1.1
111.00777	1.3
113.02338	14.9
117.03324	2.3
119.03380	2.6
121.02767	1.2
125.02348	2.4
130.99760	2.2
131.03401	1.1
132.02083	3.5
133.02773	3.9
134.03664	4.8
135.04480	4.7
136.01579	6.6
136.04921	1.3
137.02325	2.8
141.01886	1.0
143.03415	1.3
145.02841	5.4
150.03139	1.7
151.00267	1.2
151.03934	7.5
152.04242	1.5
160.01572	13.3
161.02283	10.4
161.04500	3.6
162.01898	1.4
163.03903	1.3
165.05481	1.8
166.02702	1.4
167.03090	1.7
175.03929	11.0
176.04280	5.8
179.03413	6.1
179.05568	1.2
181.04980	1.9
193.05040	2.9
194.05386	1.8
195.06509	2.9
201.11293	3.2
209.08224	1.1
209.11751	11.0
227.12848	3.5
297.24301	3.3
299.67325	1.0
313.02240	1.0
317.21399	2.1
337.09277	10.9
338.09586	8.4
339.09888	5.3
373.12827	1.8
374.12631	1.0
375.13220	1.2
382.27621	1.0
431.30188	2.4
433.28195	1.7
441.28647	2.8
443.35242	3.6
445.20468	1.5
459.29587	4.1
485.33142	1.9
486.33044	2.2
487.33853	5.0
503.33813	6.7
504.34189	12.4
505.34802	22.8
506.35266	2.0
593.35718	10.1
594.36005	1.8
595.33307	5.7
603.33685	7.1
621.34766	2.8
623.32648	5.8
628.18976	1.2
647.32776	25.4
648.33368	4.1
665.34174	4.9
667.39594	1.9
709.32947	7.3
727.34180	73.9
728.34509	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	727.412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02582	1.7
58.21206	1.7
59.01253	36.8
60.35641	1.9
61.98705	7.4
62.21145	1.7
69.03340	1.9
71.01257	30.3
72.99192	3.7
73.02816	6.0
78.95771	6.6
81.83374	2.0
83.01261	2.5
85.02833	6.0
86.15718	1.7
87.00755	5.2
89.02320	23.9
90.79354	1.8
95.01234	3.0
97.02830	6.1
101.02324	22.5
103.03970	2.4
113.02346	12.1
119.03384	8.0
125.02328	8.4
131.03455	1.8
141.47536	1.7
143.03380	3.4
152.99477	3.7
161.04442	4.0
171.10213	2.5
179.05508	3.4
221.06461	2.1
235.08200	11.1
253.09282	2.7
255.58290	2.0
269.24838	73.5
270.25165	6.5
281.24994	2.0
305.08844	3.0
310.16406	1.8
397.13486	100.0
398.13947	9.3
415.14563	28.4
416.14987	2.5
452.66159	2.0
709.38220	2.1
727.37567	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	727.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.0
58.00476	3.2
59.01251	32.4
60.01588	0.7
60.99176	5.3
61.98703	100.0
69.22288	4.4
71.01252	17.2
71.04913	1.1
72.99194	3.2
73.02821	0.8
75.00741	1.4
82.26012	0.5
83.01270	1.2
83.04935	0.7
85.02811	4.7
87.00765	1.9
88.98692	2.3
89.02314	18.1
95.01260	1.2
99.00799	0.9
101.02324	12.0
102.02706	0.8
103.92654	0.6
104.77290	0.6
109.06486	0.7
113.02328	9.2
114.07527	0.6
116.89245	0.6
119.03394	8.8
120.01179	0.6
121.02876	1.3
123.04382	1.2
131.03383	1.2
133.02812	3.1
135.04425	4.7
137.02365	1.4
143.03419	2.2
145.02859	0.7
149.04437	1.0
151.04039	0.6
161.02356	8.4
161.04445	3.7
162.02644	0.6
175.03894	0.9
179.03461	5.7
179.05569	11.0
180.03697	0.6
187.07587	1.9
207.10225	0.8
209.11710	3.9
210.12251	0.6
211.13353	1.0
220.62819	0.6
225.11302	1.7
257.08246	1.2
355.17661	1.5
373.18546	4.0
395.29532	1.0
411.32889	3.2
423.33060	1.0
441.33765	12.9
442.34286	2.6
443.35284	7.2
444.35605	1.2
457.32819	1.2
469.32916	0.9
475.34338	4.2
485.32803	2.3
487.34207	8.0
488.34552	1.4
501.32224	1.4
504.34158	1.3
505.35327	63.1
506.35590	11.1
506.42407	0.8
519.37244	1.2
527.92572	0.6
531.33441	2.1
547.36633	2.4
548.37177	0.8
665.28113	1.7
667.40692	1.0
727.37036	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87342	0.4
55.01745	0.6
58.00468	1.1
59.01252	33.7
60.01604	0.4
60.99172	1.2
61.98704	59.8
62.83212	0.5
62.98411	0.5
69.37222	4.2
71.00890	0.9
71.01254	8.8
71.04883	2.7
71.63575	0.5
72.99190	1.1
73.02809	1.1
75.00742	0.7
83.04888	0.9
83.98760	0.4
85.02805	2.4
85.06422	0.5
87.00748	1.9
89.02322	7.9
89.90659	0.5
93.03366	0.6
95.01275	0.8
97.06490	0.5
98.19830	1.1
101.02325	6.3
109.06490	0.8
113.02332	4.5
116.92819	0.5
117.03392	0.5
119.03400	3.8
119.04956	0.7
125.48060	0.5
132.02057	0.7
133.02806	1.4
135.04446	1.0
136.01599	0.6
137.02348	1.1
138.81982	0.5
143.03410	0.8
145.02826	1.0
149.04536	0.6
151.03941	1.0
160.01587	1.3
161.02332	1.8
161.04478	1.1
175.03857	0.9
179.03439	1.3
179.05530	3.5
201.11270	1.1
205.15909	1.7
209.11838	3.5
227.12764	0.7
255.31137	0.5
337.09277	0.5
343.26532	0.5
409.31161	0.7
425.34329	5.6
426.34659	1.5
427.32651	0.5
441.33838	2.5
443.35294	21.5
444.35358	3.0
445.33069	0.9
459.35187	0.6
461.36218	0.9
475.34439	0.6
487.34348	11.9
488.34741	2.1
503.33014	0.9
504.34286	1.4
505.35355	100.0
506.35718	16.8
506.41550	0.3
506.43509	0.6
531.33899	0.9
595.33728	0.6
623.05316	0.5
727.36938	2.7
728.55298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.6
58.00470	7.3
59.01251	61.5
60.01601	1.4
60.92785	1.0
60.99179	5.1
61.98703	87.5
69.30593	7.7
71.00849	1.3
71.01252	26.7
71.04893	1.7
72.68874	0.8
72.99163	6.2
73.02824	2.7
75.00752	3.8
78.95760	1.5
83.01268	1.6
85.02835	5.8
87.00734	2.1
87.08086	1.0
88.98680	1.6
89.02315	29.7
95.01244	2.3
96.95884	2.0
97.06546	1.1
98.93693	1.0
101.02323	17.3
108.10930	0.8
109.02905	1.0
111.70929	1.0
113.02329	15.1
119.03394	15.3
119.04882	1.4
123.04453	0.9
131.03421	1.9
133.02849	2.7
135.04417	3.1
137.02374	3.4
142.01942	0.9
143.03383	3.5
145.02847	2.2
149.04373	1.5
161.02382	5.9
161.04424	6.2
163.03867	1.0
179.03438	4.9
179.05521	15.9
192.10323	1.0
194.72165	1.0
205.16118	1.1
209.11816	3.7
227.12794	2.1
228.98347	1.1
243.72119	1.0
361.64990	1.1
377.92316	1.2
395.29428	4.1
405.31680	1.5
411.32516	9.0
423.32578	3.0
425.34290	3.2
441.33728	47.1
442.34134	8.5
442.55713	0.9
443.35312	45.1
444.35703	6.1
455.31754	1.5
457.32889	4.8
475.33978	5.6
476.34915	1.3
485.32733	2.6
487.34286	46.5
488.34512	6.2
501.31848	1.3
503.34006	1.6
504.34079	3.6
505.35309	100.0
506.35681	18.0
519.36884	2.1
531.33124	3.3
547.36157	9.3
548.36963	1.5
667.38892	1.2
727.30438	1.4
727.42322	1.7
754.60962	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	15.5
61.98690	1.4
68.77399	0.4
71.01261	1.2
78.95768	3.1
85.02802	0.7
89.02319	1.2
101.02338	1.1
104.18874	0.4
108.07001	0.4
111.08045	1.6
113.02328	0.7
113.24657	0.5
125.09592	0.9
127.11197	1.0
152.99451	1.3
153.09093	0.8
171.10196	100.0
172.10555	4.4
173.08095	1.5
209.11841	0.8
235.08217	1.3
241.01251	1.1
253.09224	5.2
255.23299	1.5
277.21729	46.2
278.22073	4.0
281.24826	1.0
295.22668	0.5
407.19235	2.7
637.36499	0.5
709.39233	1.3
727.36475	2.4
757.14209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	22.2
60.01587	0.6
61.98694	1.1
63.37380	0.6
71.01269	2.1
73.02814	1.0
77.34470	0.5
78.95780	1.4
83.04903	0.9
85.02814	0.7
87.35860	0.5
89.02325	1.4
101.02332	2.3
113.02335	1.6
125.09615	1.4
127.11166	1.2
145.05070	0.7
152.99483	2.2
161.04453	1.4
169.08879	0.5
171.10185	82.6
172.10495	3.4
197.11850	0.9
198.88242	0.6
209.11758	2.5
210.12265	0.7
235.08197	3.8
253.09270	7.0
255.23378	2.9
259.20752	0.7
268.75928	0.7
277.21722	100.0
278.22098	10.2
279.23300	1.0
280.23633	1.0
281.24817	3.6
282.25128	0.6
307.21277	0.6
407.19211	0.8
475.96091	0.6
513.30811	0.8
599.46136	0.7
709.39459	2.3
727.42108	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	4.5
60.90782	0.8
61.76123	0.8
61.98704	21.9
65.49319	0.8
71.01237	1.5
71.04884	1.1
71.51318	0.8
75.15231	0.9
78.95782	1.2
80.34763	0.8
85.02864	0.9
96.95882	1.4
111.65987	0.7
113.02285	1.1
127.68760	0.9
129.09874	0.9
133.02855	1.1
135.04425	1.1
152.62630	0.8
161.02306	1.2
171.19591	1.1
179.03375	2.1
195.13869	1.0
197.11746	1.2
199.09700	1.9
201.11217	1.0
209.11755	1.9
223.13374	10.3
224.13448	0.9
253.09233	1.0
357.09869	0.9
387.67816	1.0
421.31003	2.6
441.34064	5.1
453.29648	1.4
456.33551	0.9
457.33130	2.3
473.32712	1.8
485.32678	6.6
486.33151	1.5
503.33786	100.0
504.34106	20.5
549.52460	1.1
727.23029	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	728.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34017	0.1
61.49830	0.1
61.98703	100.0
62.98412	0.3
70.36964	0.3
114.28229	0.1
146.26634	0.1
223.13536	0.1
224.13744	0.2
472.52304	0.1
539.13226	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.9
60.01573	0.1
61.98701	100.0
70.50890	0.1
72.66197	0.1
81.67175	0.1
83.25279	0.1
87.31024	0.1
97.42248	0.1
99.70752	0.1
196.87361	0.1
230.45837	0.2
486.33008	0.2
487.33386	0.2
488.33765	0.2
503.33643	0.6
504.34158	1.3
505.34409	1.6
506.34653	1.6
654.04395	0.1
679.96759	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29686	0.1
58.13287	0.1
59.01247	1.8
60.01573	0.2
61.01677	0.1
61.98701	100.0
62.98404	0.2
66.44720	0.1
71.01245	0.1
79.25974	0.1
89.02322	0.1
106.82673	0.1
113.02344	0.1
119.05117	0.1
145.67268	0.1
196.37209	0.1
316.80542	0.1
334.92633	0.1
380.29587	0.1
390.98782	0.1
442.34000	0.2
443.34558	0.2
503.33755	0.8
504.34134	2.1
505.34387	2.7
506.34680	2.1
506.41525	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.2
59.01257	2.9
60.01576	0.2
60.99175	0.3
61.01661	0.2
61.98703	100.0
62.98406	0.2
71.01263	1.4
71.04901	0.2
72.99197	0.3
73.02827	0.2
75.00755	0.5
83.01312	0.2
85.02841	0.5
87.00748	0.3
88.98685	0.3
89.02308	1.1
95.01271	0.2
99.00787	0.2
101.02341	0.5
109.02853	0.2
111.00787	0.2
113.02361	0.7
119.03413	0.5
133.02893	0.6
135.04449	1.1
137.02362	0.2
145.02856	0.3
156.64716	0.2
161.02353	1.8
162.02681	0.4
166.14455	0.2
179.03490	1.1
179.05583	0.4
209.11862	0.4
227.12813	0.2
243.59459	0.2
249.09311	0.2
320.18622	0.2
326.29126	0.2
442.33795	0.4
443.34827	0.3
444.35068	0.5
486.33084	0.3
487.33688	0.3
488.33963	0.4
504.34317	0.6
505.35172	2.7
506.35593	5.5
507.35974	0.3
599.78644	0.2
691.25549	0.3
692.26672	0.5
728.37860	0.4
729.37769	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.1
59.01250	1.3
60.01567	0.1
60.99195	0.1
61.98701	100.0
62.98400	0.2
71.01250	0.5
71.04899	0.2
73.02840	0.1
77.11308	0.1
85.02831	0.1
86.80785	0.1
89.02331	0.3
90.22910	0.1
98.20681	0.2
101.02338	0.3
113.02338	0.3
119.03359	0.2
133.02892	0.1
135.04420	0.1
161.02350	0.2
166.04994	0.1
204.84369	0.1
209.11844	0.1
244.16368	0.1
261.55551	0.1
327.30652	0.1
423.32889	0.1
424.33258	0.1
425.34192	0.1
441.33878	0.3
442.34091	0.7
443.34381	0.6
444.35181	0.6
485.32739	0.2
486.32864	0.5
487.33710	0.4
488.33801	0.5
503.34473	0.1
504.34485	0.2
505.35043	0.9
506.35526	1.5
507.35696	0.1
556.81677	0.1
578.77399	0.1
631.16418	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38256	0.1
59.01247	2.0
60.01600	0.3
61.01665	0.2
61.98702	100.0
62.98425	0.2
64.86636	0.1
71.01276	0.3
71.51996	0.2
72.67413	0.1
73.26279	0.1
89.02328	0.3
101.02319	0.2
108.02087	0.1
113.02332	0.2
119.04908	0.2
131.38118	0.1
133.02843	0.1
135.03392	0.1
135.04440	0.4
137.02345	3.6
145.02873	0.1
158.91945	0.1
161.02353	0.2
168.67052	0.1
175.03926	0.2
179.03445	0.4
316.82559	0.1
339.95850	0.1
486.33414	0.2
503.33731	0.6
504.34235	1.7
505.34280	2.2
506.34683	2.4
694.21338	0.2
729.27423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84224	0.1
59.01247	2.8
60.01575	0.4
61.01678	0.2
61.98702	100.0
62.99134	0.1
69.24869	0.5
69.25284	0.2
71.01283	0.2
77.75932	0.1
79.76991	0.1
85.02828	0.1
86.51233	0.1
98.19830	0.1
101.02347	0.2
113.02316	0.1
119.07715	0.1
123.04449	0.1
133.02950	0.1
135.04356	0.1
137.02374	0.4
145.02872	0.2
151.03937	0.1
153.06927	0.1
161.02376	0.2
163.03979	0.1
177.70845	0.1
179.03445	0.1
188.75383	0.1
190.02696	0.1
200.65486	0.1
205.05127	0.1
244.55209	0.1
367.10471	0.2
419.37912	0.1
486.33188	0.2
487.33612	0.2
488.33850	0.2
503.33908	0.8
504.34103	3.1
505.34409	3.4
506.34726	3.2
507.35492	0.2
548.20172	0.2
589.71588	0.1
647.18872	0.1
693.33698	0.2
729.26050	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.6
60.01590	0.3
61.01685	0.2
61.98703	100.0
62.98405	0.2
70.48518	0.6
71.01258	0.6
85.02832	0.3
88.91074	0.1
89.02336	0.2
92.93056	0.1
93.03342	0.2
98.20473	0.2
101.02328	0.4
113.02341	0.4
119.04942	0.3
128.78500	0.1
133.02867	0.3
135.04477	0.2
137.02361	0.4
145.02893	0.2
161.02435	0.5
163.03984	0.2
169.94882	0.1
175.04013	0.2
179.03458	0.3
218.17139	0.1
235.03691	0.2
392.16003	0.2
486.33319	0.2
487.33499	0.3
488.33969	0.3
503.34177	0.7
504.34079	1.8
505.34485	2.6
506.34531	2.2
668.39838	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47019	0.1
58.19685	0.1
59.01258	0.7
61.98708	100.0
62.98406	0.2
71.01252	0.5
71.50813	0.1
75.00794	0.1
78.95791	0.2
85.02839	0.2
89.02345	0.2
91.73428	0.1
91.85194	0.1
94.99138	0.1
99.00780	0.1
101.02369	0.2
113.02323	0.2
123.04427	0.1
128.75331	0.1
133.02870	0.2
135.04463	0.3
137.02367	0.1
145.02861	0.1
150.78177	0.1
153.39256	0.1
161.02386	0.3
161.04462	0.1
163.23494	0.1
179.03448	0.2
183.10301	0.2
193.31236	0.1
197.11790	0.1
207.10278	0.2
209.11797	0.3
225.11299	0.2
475.40955	0.1
666.39337	0.1
667.40088	0.4
668.40118	0.8
729.38202	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	729.316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81967	0.8
59.01241	2.8
61.98700	10.2
63.96102	2.3
69.03288	0.9
71.01260	10.9
72.99176	1.3
73.02819	1.3
75.00708	1.1
78.95763	1.2
78.98452	6.1
79.95602	14.8
80.96390	91.4
81.96313	1.0
85.02831	5.6
87.00763	3.9
94.97969	18.8
96.95881	2.2
97.02818	2.5
99.00747	1.2
101.02299	2.5
106.97968	4.1
113.02329	2.2
119.05851	0.8
122.97467	3.4
125.02319	4.2
133.02818	1.4
134.97476	5.8
135.04352	1.8
136.99001	1.7
138.27591	0.8
143.14175	0.7
148.99042	8.1
152.98560	6.9
161.02321	1.9
164.98569	14.3
167.77469	0.8
179.03368	2.8
195.09845	0.8
195.13911	1.3
199.13339	1.2
206.99590	3.6
211.13428	1.0
223.13260	2.6
225.00713	22.4
230.12285	0.8
285.04062	0.9
505.17459	3.6
729.31580	100.0
730.31848	22.3
730.41949	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62014	1.5
57.03320	2.0
59.01250	29.7
60.99178	1.8
61.98702	41.4
69.03320	3.0
69.21077	12.5
71.01242	16.8
72.99178	9.4
73.02821	3.9
75.00752	3.1
81.03310	3.6
82.89119	1.4
83.01258	3.3
83.04897	3.8
85.02792	3.9
87.00750	4.5
88.98671	7.8
89.02318	9.1
93.03340	1.4
95.04884	4.7
97.02828	13.8
97.06493	2.3
99.00758	9.0
101.02315	9.1
104.27673	1.5
107.04921	1.7
109.06470	34.5
110.03632	1.7
113.02302	8.2
119.03371	3.3
121.06508	2.1
123.04362	3.0
123.08091	2.3
124.43014	1.5
125.09615	12.9
132.59639	2.1
132.96013	1.5
133.02805	2.2
135.04399	2.7
135.08054	5.6
136.05231	2.5
142.02605	3.7
145.04982	1.9
161.02347	5.7
161.04483	3.3
161.09644	2.2
163.11186	25.4
165.09123	1.8
171.10146	2.6
177.12746	2.0
179.03488	2.7
179.05550	1.7
179.10689	2.3
181.12253	16.0
185.11725	8.3
197.11769	2.3
199.93169	1.5
201.11240	2.8
207.10193	100.0
208.10551	6.6
209.11751	7.8
211.13277	1.9
219.13799	3.5
221.11769	2.5
223.13324	3.2
225.11267	82.6
226.11592	5.4
227.12827	4.4
235.08192	6.5
237.11267	2.1
243.12326	5.7
247.09680	1.9
253.09279	7.2
263.12802	2.8
265.10648	2.3
301.72543	1.7
327.23215	2.8
345.24341	2.0
351.21637	1.9
353.21179	2.3
371.22336	15.5
389.23434	20.4
390.23563	2.3
407.24503	8.0
415.21182	5.5
426.87347	1.7
433.22357	3.5
443.19223	4.2
461.20129	15.9
462.20294	4.1
507.26440	1.9
607.31213	13.1
608.30634	2.5
609.72418	2.1
625.30780	13.8
626.30670	2.2
633.28589	2.3
651.30219	38.4
652.30414	9.1
669.31171	60.8
669.41895	3.3
670.31274	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	729.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.8
56.37609	1.1
57.03325	2.3
58.22206	1.2
59.01254	30.0
61.98692	4.8
71.01255	42.5
71.52348	1.7
72.99186	4.5
73.02824	12.2
73.12933	1.3
75.00717	2.6
83.01242	9.4
85.02827	25.7
87.00742	3.4
89.02317	9.2
93.03358	2.1
95.01264	5.1
97.02836	2.3
99.00762	7.7
101.02326	35.8
108.02046	2.2
108.93258	1.2
110.16068	1.4
111.00762	7.3
113.02323	17.9
116.57415	1.2
119.03378	1.9
121.02822	2.1
123.04431	1.3
125.02355	2.1
129.01765	2.3
131.03343	1.7
133.02823	2.1
135.04416	4.8
137.02339	3.8
141.01830	1.9
143.03407	1.5
150.26857	1.2
151.03889	2.0
153.05391	1.3
159.02896	3.4
161.02342	6.4
161.04462	6.3
163.03943	1.6
177.01747	1.5
179.03421	5.1
191.07150	1.3
243.19580	1.6
273.15924	1.3
405.25027	7.1
549.28741	3.2
567.30164	59.5
568.30389	7.2
716.70740	1.7
729.35614	100.0
730.36017	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	729.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.3
61.98703	14.8
69.03310	1.2
71.01260	4.5
75.00735	1.1
80.02562	0.8
83.04899	3.6
85.02807	1.2
87.00807	0.9
89.02335	2.1
93.03407	0.8
94.78532	0.7
95.04912	0.9
97.02757	0.8
98.88840	0.8
101.02301	3.0
109.06444	0.9
111.08035	1.5
113.02319	2.2
127.11180	0.9
161.04474	1.8
163.11176	3.8
165.12776	1.7
170.06129	0.9
171.10229	1.2
179.03487	1.3
179.05452	0.9
179.14383	1.0
187.29404	0.8
191.10660	1.1
195.13835	4.4
197.11815	1.4
201.11247	13.4
205.12167	4.1
207.10223	1.0
209.11774	100.0
210.12141	6.3
223.13354	45.0
224.13736	4.2
227.12868	14.3
235.08217	2.1
240.30402	0.8
249.71030	0.8
253.09274	10.1
291.19595	1.7
293.78201	0.9
309.20737	5.5
333.42169	0.9
349.27594	0.9
445.20663	2.3
459.22205	3.0
651.33496	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	730.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
62.98392	0.2
70.90861	0.1
76.24723	0.1
121.30254	0.1
168.29475	0.1
199.06630	0.1
223.13321	0.2
224.13718	0.1
402.02887	0.1
473.47913	0.1
543.55017	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	730.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.4
61.98701	100.0
62.69408	0.1
62.98420	0.2
69.97279	0.6
71.01234	0.2
75.00733	0.1
78.95796	0.2
85.02842	0.2
88.98686	0.4
98.19899	0.3
101.02346	0.1
104.51458	0.1
109.10102	0.1
113.02417	0.1
116.39889	0.1
133.02870	0.2
135.04460	0.3
145.02843	0.1
161.02357	0.4
179.03380	0.2
197.11832	0.4
223.13492	0.3
356.20520	0.1
398.54208	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62008	0.3
54.01733	0.3
57.03314	0.4
59.01254	4.2
59.66048	0.3
61.98705	23.6
69.31630	1.6
69.32057	1.3
71.01257	6.1
72.00094	0.4
72.99174	0.4
73.02815	0.5
75.00755	0.9
85.02820	6.8
87.00746	0.7
88.55033	0.4
89.02320	1.2
93.03324	0.6
95.01277	1.6
99.00757	0.5
101.02316	0.8
103.04005	0.4
105.03323	1.1
108.02052	0.5
109.02842	0.9
111.00749	0.5
113.02336	9.0
113.03082	0.7
115.01803	0.4
117.03371	2.1
119.04942	0.5
121.02831	0.8
122.03631	0.4
123.04430	0.9
125.02374	0.6
132.02086	2.8
133.02853	40.7
134.03677	11.0
135.04420	20.9
136.04735	0.8
137.02324	3.4
137.06007	0.5
139.03946	0.7
143.03427	1.0
145.02831	1.6
149.06003	1.4
150.03082	0.8
151.04024	0.3
159.04410	0.4
160.01566	1.4
161.02354	100.0
162.02689	4.3
163.03880	0.6
164.04633	0.3
173.02350	2.1
173.05974	4.1
175.03941	2.8
177.05481	0.8
178.02643	9.7
179.03424	28.4
180.03784	1.4
187.05936	0.7
193.05002	16.8
194.02144	0.4
194.05319	0.9
199.03894	0.4
201.03635	0.8
201.05510	14.9
201.09160	1.1
202.06276	5.7
203.03574	1.7
203.06924	0.6
207.98946	0.4
209.11787	0.6
210.12003	0.3
216.07941	0.5
229.08598	2.3
233.04463	0.6
243.09834	0.4
317.06442	0.4
325.09241	3.4
327.12363	0.5
339.12128	0.6
357.13522	0.7
359.15125	0.7
394.28262	0.4
430.84195	0.4
484.73880	0.4
485.13226	2.0
486.13266	0.5
487.14761	0.7
555.20770	1.0
569.22156	0.8
641.23877	0.4
731.25525	33.0
732.25848	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	731.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15448	0.3
57.03313	0.6
59.01252	4.3
61.98702	7.6
69.73636	0.2
71.01256	6.1
72.99161	0.3
73.02820	0.8
78.95776	0.4
84.02029	0.3
85.02826	6.9
87.00761	0.6
89.02325	1.7
89.03849	0.5
91.05392	0.3
93.03338	1.0
95.01253	2.0
97.02848	0.5
99.00759	0.5
101.02326	1.4
105.03326	0.7
107.04910	0.5
109.02857	0.9
111.00756	0.4
113.02327	10.1
115.01764	0.5
117.03352	1.6
119.03384	0.3
119.04918	0.3
121.02832	0.7
123.04435	0.9
124.01544	0.3
132.02072	2.6
133.02849	39.0
134.03658	12.6
135.04420	19.0
136.04741	0.8
137.02336	5.1
138.18492	0.3
139.03912	1.4
141.84192	0.3
143.03448	0.8
145.02855	1.1
147.04372	0.4
147.85971	0.3
149.02385	0.3
149.05954	1.3
150.03136	0.8
151.03940	0.5
159.04359	0.3
160.01564	1.2
161.02350	100.0
162.02695	5.6
163.03871	0.3
173.02373	2.6
173.05992	4.0
175.03923	3.0
177.05478	0.8
177.07024	0.4
178.01012	0.3
178.01480	0.2
178.02626	10.4
179.03415	28.5
180.03761	1.3
181.04988	0.4
187.06018	0.8
189.05431	0.4
193.04996	17.5
194.02046	0.3
194.05315	1.3
201.05508	15.2
201.09151	1.2
202.06219	5.0
203.03438	1.8
203.06946	0.4
204.04033	0.4
209.11797	0.5
211.06036	0.9
211.16425	0.3
216.07919	0.6
217.05049	0.4
217.08632	0.6
221.04509	0.7
223.05981	0.4
229.08611	3.0
230.09215	0.5
233.04665	0.7
235.05966	0.5
239.03323	0.3
242.08130	1.7
251.05586	0.8
251.12714	0.4
265.07150	0.7
276.06284	0.3
289.06876	0.3
305.06616	0.4
323.07428	0.5
324.08615	0.4
325.09274	3.2
326.09631	0.4
350.10059	0.4
373.12848	0.4
431.19540	0.3
485.13004	3.0
486.13208	0.4
487.14520	0.6
514.16840	0.3
555.20789	1.4
569.22418	1.0
602.16327	0.3
699.22961	0.3
731.25543	36.7
732.25946	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	731.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04609	0.9
59.01251	100.0
60.01551	1.0
61.98689	2.2
78.95788	1.0
83.95237	1.0
141.97676	0.9
173.99245	0.9
256.81195	1.2
267.49429	0.9
431.61209	1.0
496.13904	3.0
510.15326	1.6
511.16336	1.7
514.04315	1.1
521.14752	1.4
539.15540	6.3
540.15851	1.6
553.17090	6.7
553.24542	1.0
554.17426	2.3
585.19922	4.1
597.19934	2.4
598.20654	5.9
599.20782	2.2
616.18140	1.6
630.19287	5.4
631.20361	1.9
671.23633	16.8
672.23547	3.7
731.25720	77.9
732.26093	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
59.65382	0.5
60.01620	0.7
61.98706	0.8
70.43296	1.0
70.43666	1.0
108.37123	0.5
110.47077	0.6
120.90437	0.5
350.99265	0.6
451.13965	0.7
480.14432	0.8
496.13931	3.8
497.14700	0.6
509.14703	1.0
510.15088	1.4
511.16037	1.7
521.14764	1.0
527.19250	0.8
530.08606	0.6
539.15808	4.3
540.16028	1.5
553.17285	7.3
554.17938	2.7
585.19934	3.2
597.20160	3.2
598.20636	10.6
599.21057	2.3
613.22821	1.1
616.17816	2.0
625.18329	0.6
630.19714	8.1
631.19904	2.4
657.22174	1.2
671.23596	15.4
672.23743	5.2
731.25720	75.5
732.25934	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	731.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68272	0.9
55.01742	4.3
57.03313	4.6
58.00460	1.7
59.01254	27.1
59.64566	1.0
61.98695	1.4
64.34641	1.0
65.44372	1.1
69.03317	1.4
71.01256	44.3
71.52117	1.1
72.99178	6.7
73.02822	13.1
75.00731	2.6
83.01259	8.9
85.02825	22.4
87.00745	5.0
89.02319	13.5
89.70318	1.1
93.03329	3.4
95.01250	5.8
96.35986	1.3
96.95876	1.2
97.02814	2.4
99.00762	10.3
101.02325	34.2
105.03282	1.1
108.02055	3.5
109.02872	2.5
111.00761	6.4
113.02334	23.6
115.59003	1.3
119.03377	3.3
119.04929	1.5
121.02800	1.8
121.10025	1.1
123.04391	2.7
125.02332	2.1
131.03308	1.0
133.02831	3.8
134.03598	1.5
135.04385	5.5
136.01550	3.1
137.02368	7.4
139.03937	1.6
149.02310	3.2
149.04448	3.8
149.05754	1.2
150.03145	8.6
151.00217	1.2
151.03947	7.0
152.01070	4.8
153.01871	3.0
153.05440	2.6
159.02896	4.1
160.01608	1.2
161.02399	8.5
161.04439	7.0
163.03894	2.9
165.01840	2.7
165.05484	8.8
165.09128	2.1
166.02629	1.2
167.03381	4.8
175.04051	1.3
177.01863	3.0
178.02611	6.8
179.03423	10.8
179.04832	1.4
180.00566	1.0
180.03973	1.2
181.01387	1.4
181.05025	5.6
193.01328	2.6
193.05003	16.4
194.05414	1.3
195.06604	5.3
209.00859	2.4
209.04495	2.7
211.06024	1.2
245.55675	1.0
284.98303	1.2
297.13486	1.4
345.15552	8.9
347.11816	1.2
351.05551	1.2
367.88211	1.2
389.12589	1.7
407.13412	2.1
407.26517	8.4
419.09634	1.4
449.10800	1.3
459.18518	2.7
477.19815	1.9
514.36481	1.2
516.50665	1.2
569.22369	2.1
569.31744	52.9
570.31995	8.0
731.37115	100.0
732.25037	2.1
732.37378	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	732.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	100.0
62.98411	0.1
73.25866	0.1
117.07816	0.1
132.71602	0.1
183.76437	0.1
184.43146	0.1
193.02353	0.1
224.54546	0.1
226.50430	0.1
240.97342	0.1
455.72437	0.2
713.16235	0.1
745.67487	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	732.345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41045	0.1
53.33378	0.1
55.41074	0.1
59.01252	0.2
60.99205	0.1
61.98701	100.0
62.98411	0.1
69.35237	0.6
69.35645	0.2
88.98672	0.2
98.20532	0.2
123.01175	0.1
149.91681	0.1
209.11790	0.1
223.13397	0.2
237.53662	0.1
406.84100	0.1
470.36932	0.1
732.30518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.4
61.98703	100.0
62.98413	0.2
69.00928	0.1
71.01254	1.9
72.99184	0.8
73.02821	0.2
75.00764	0.5
78.95784	0.1
83.01260	0.1
83.04890	0.1
85.02824	1.1
87.00779	0.4
88.98704	0.2
89.02333	0.5
95.01277	0.4
98.19809	0.4
99.00774	0.4
101.02343	0.5
102.05483	0.2
103.00267	0.2
109.02811	0.2
110.91213	0.1
113.02335	2.0
115.00252	0.2
119.03374	0.2
119.04945	0.3
123.04384	0.2
127.33405	0.1
128.03467	0.3
128.50836	0.1
131.03427	0.2
133.02869	0.7
134.03705	0.2
135.04443	0.4
137.02359	0.4
145.02884	0.3
161.02342	1.9
161.04475	0.2
163.03951	0.5
165.01833	0.7
167.03587	0.1
175.02444	0.4
175.03981	0.2
176.04533	0.1
179.03423	0.7
193.03491	0.9
193.05025	0.2
255.02957	0.2
257.08200	0.2
272.93298	0.1
284.03223	1.3
351.05728	4.0
351.10052	0.2
381.10049	0.2
487.34512	0.3
570.23010	0.5
636.09686	0.5
636.18463	0.2
642.14423	0.2
732.40381	0.9
733.23608	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12838	0.1
56.30548	0.1
57.03327	0.3
59.01246	1.8
59.72742	0.1
61.98701	100.0
63.99120	0.2
70.81188	0.3
71.01247	2.1
72.99194	0.3
75.00748	0.3
76.76747	0.1
83.01257	0.3
83.14876	0.1
84.54656	0.1
84.56279	0.1
85.02821	1.1
87.00767	0.2
88.98717	0.6
89.02309	0.8
93.03349	0.5
95.01260	0.2
95.04884	0.2
95.55298	0.1
96.95867	0.2
97.17482	0.1
99.00761	0.4
101.02322	0.7
108.02055	0.3
109.02856	0.4
113.02322	1.9
116.66109	0.1
117.03345	0.2
119.03394	0.2
119.04939	0.3
121.02848	0.6
123.04427	0.5
125.02382	0.2
128.03464	0.4
129.03783	0.1
132.02115	0.5
133.02872	0.7
134.03633	1.0
135.04420	0.8
137.02335	1.2
139.03905	0.1
145.02867	0.6
149.02370	0.6
149.05902	0.2
150.03113	0.2
151.03937	0.4
160.01613	0.8
161.02345	2.3
161.04459	0.2
162.02940	0.2
163.03877	0.3
165.01825	1.3
165.40149	0.1
167.03445	0.4
175.03929	1.3
177.01906	0.4
178.02597	0.4
179.03403	1.7
187.07614	0.3
193.03477	0.2
193.05037	0.6
202.06317	0.3
209.04613	0.3
213.77461	0.1
229.14493	0.1
231.10292	0.4
237.05844	0.2
284.03363	0.3
351.05743	1.1
403.65356	0.1
450.27631	0.1
517.82147	0.2
521.37048	0.2
543.28180	0.5
557.22394	0.8
636.08350	0.2
636.17511	0.8
669.40826	0.2
699.09741	0.2
700.25244	0.2
732.40594	1.2
733.26495	1.6
733.38849	0.1
734.79108	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.3
57.03314	3.4
59.01247	13.5
61.98705	1.5
63.02268	1.5
65.00188	2.4
69.51369	5.5
71.01254	26.5
72.98786	1.1
72.99182	17.9
73.02828	3.6
75.00748	10.6
78.66644	0.8
83.01266	6.5
85.02822	23.8
87.00739	5.7
89.02345	4.2
91.40039	0.8
95.01257	6.3
99.00162	1.2
99.00755	9.6
101.02345	4.6
103.00267	5.2
106.60843	0.7
107.01270	5.0
110.25251	0.8
111.00707	1.0
113.02335	36.8
115.00232	2.1
117.01801	2.2
121.44606	0.8
123.04434	1.3
124.01519	1.0
125.02330	4.2
129.01836	1.5
131.03397	2.7
133.01346	1.0
133.02844	3.3
134.61484	0.8
135.04468	4.2
137.02339	2.1
145.02859	1.0
149.02335	1.2
151.00256	13.2
157.01311	2.2
161.02380	7.0
162.41600	0.8
167.03360	2.1
175.02434	6.7
179.03329	2.8
193.03481	16.8
193.05176	0.6
201.09102	2.2
211.07573	1.8
229.08667	4.0
235.04526	1.1
255.06546	1.9
289.05643	2.9
309.04086	2.5
333.04553	2.3
337.07108	1.2
351.05673	100.0
352.06064	8.0
363.08655	3.3
381.09790	48.8
382.10098	4.9
663.81891	1.1
733.16260	7.8
733.27686	1.9
734.16217	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24638	0.8
57.03313	2.9
59.01252	36.6
61.98704	7.2
63.02278	1.1
65.00195	6.3
68.99686	1.8
69.03337	1.0
71.01253	39.8
71.52389	1.2
72.99181	19.3
73.02818	9.8
74.32125	0.8
75.00745	11.5
78.95773	1.1
83.01266	8.1
85.02824	29.8
86.03130	0.9
87.00757	8.5
88.98681	1.1
89.02317	7.2
95.01263	5.8
96.95879	3.9
97.02843	1.1
97.35678	0.9
99.00749	10.2
101.02319	14.0
103.00246	6.0
107.01257	7.6
108.02081	1.7
109.02829	2.1
111.00784	1.4
113.02328	39.0
114.02692	1.2
115.00255	4.2
117.01807	1.9
119.03357	1.5
119.04890	1.6
121.02871	1.3
123.04427	3.0
125.02337	7.5
125.14639	1.0
129.01842	1.8
131.03395	2.7
133.01286	1.8
133.02852	6.3
135.04413	6.4
137.02367	4.4
139.03880	1.1
145.02861	1.8
149.02322	1.5
149.04437	2.1
149.06122	1.0
150.03168	1.5
151.00273	17.3
151.03859	1.6
152.00897	1.0
158.03632	1.3
159.02901	1.1
161.02373	12.5
161.04482	3.6
163.03931	2.2
167.03467	4.8
172.05191	2.2
175.02383	6.6
175.03761	2.1
179.03394	8.8
193.03458	17.4
199.34911	0.9
201.09143	18.8
202.09506	0.9
215.07074	1.5
221.06898	1.0
227.07256	1.2
229.08624	13.3
235.04774	1.2
255.02910	1.0
255.06523	1.2
279.06769	1.5
284.03229	1.1
289.05569	2.5
306.05060	1.0
309.04025	3.0
316.40646	0.9
333.04510	1.9
335.09457	1.6
351.05670	100.0
352.06067	7.3
353.10440	5.3
363.08743	14.4
381.09805	63.6
382.10199	9.9
461.20270	2.6
475.14490	3.1
479.20804	1.3
502.36655	1.0
517.15021	1.5
686.51215	1.2
733.13947	6.5
733.27325	3.5
734.16254	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	7.5
61.98693	1.7
70.89687	1.4
75.00772	0.9
77.00520	0.6
78.91792	0.7
78.95783	0.8
145.02863	0.7
205.71840	0.6
206.07346	0.8
223.13327	0.8
291.19650	0.6
412.15472	1.2
425.12549	1.1
427.14288	1.1
436.85004	0.6
438.09763	1.9
441.15884	1.1
442.16504	2.9
444.14484	0.7
452.11307	0.8
453.11917	2.1
454.08905	0.7
455.17297	9.7
456.17804	2.8
457.18869	13.3
458.19089	3.3
459.16669	1.2
468.10513	1.1
469.11328	2.7
470.11081	0.8
473.18341	14.0
474.15759	5.1
481.11591	1.9
482.12183	1.8
483.12491	1.0
485.18323	5.2
486.18326	1.3
488.16788	0.9
496.13773	9.1
497.14969	5.1
498.11685	0.7
499.16342	0.9
501.18008	0.7
502.14554	1.2
510.15283	2.0
511.15945	11.6
512.13214	22.9
513.13751	8.2
513.21173	1.1
526.14972	15.8
527.15503	15.4
528.16260	5.6
529.17188	1.5
530.17444	0.7
543.18127	0.6
555.18494	0.6
560.15436	2.1
561.15436	0.6
567.18927	0.7
583.18451	8.6
584.18768	2.5
597.19727	3.6
598.19989	1.3
599.21753	9.9
600.21729	3.0
613.19409	2.0
614.20190	100.0
615.20667	50.5
616.21448	5.8
629.22729	1.4
631.21222	0.6
645.22577	1.3
646.19086	14.4
647.19763	4.4
673.21252	4.8
674.21783	2.1
733.22778	2.5
734.23340	0.9
734.34998	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	6.9
58.00465	2.1
59.01251	29.7
61.98701	77.3
65.17056	1.3
68.01277	4.4
69.00809	2.7
69.03295	2.0
70.00101	1.3
71.01253	50.0
71.52551	1.5
72.99181	20.7
73.02823	6.1
75.00750	11.3
82.32791	1.3
83.01264	5.2
83.02378	1.6
85.02821	44.9
87.00729	6.3
89.02326	10.8
93.03289	1.5
95.01257	13.3
97.02811	2.0
97.06441	1.7
99.00764	9.7
101.02335	10.3
103.00237	4.4
108.02031	1.9
108.34299	1.5
109.02790	2.8
111.00751	5.9
113.02331	72.8
115.00214	2.2
117.01750	1.5
117.03314	4.5
119.03427	2.5
119.04893	4.3
121.02855	3.9
123.04427	1.8
125.02277	2.4
131.03363	2.8
131.52054	1.3
132.02061	26.2
133.02867	13.0
134.03633	46.4
135.04472	6.9
137.02335	7.8
143.03354	2.9
145.02867	2.1
146.03561	2.0
147.04399	3.8
149.02289	3.0
149.05978	4.8
150.03154	1.5
151.00244	2.2
151.03931	1.8
158.03606	1.4
159.04457	2.5
160.01569	99.8
161.02361	37.2
161.04422	2.3
162.02586	1.9
163.03860	5.7
165.01825	8.2
167.03412	3.8
172.05165	2.1
173.06001	6.3
175.02448	6.0
175.03911	77.5
176.04263	5.5
177.01770	2.2
177.05396	1.8
178.02705	3.4
179.03416	7.9
187.03973	3.2
187.07568	20.2
188.07999	1.5
190.06268	3.0
191.10759	1.5
193.03421	13.1
193.04997	37.9
201.05476	6.6
202.06281	26.0
203.10732	2.0
213.08983	1.9
215.07077	2.8
216.07706	1.8
219.10228	5.8
220.07387	3.2
227.03513	1.9
231.10228	26.0
232.10510	2.1
249.09555	1.3
249.11356	14.2
255.02942	3.7
256.03720	13.0
257.08109	4.2
283.02481	7.0
284.03253	66.1
285.03793	11.6
289.05707	2.0
291.07068	1.7
339.04868	1.9
351.05676	72.6
352.05832	3.9
381.09827	10.1
411.16489	2.2
458.44836	1.4
469.33099	2.4
487.34296	23.5
488.34644	2.2
539.20929	3.0
557.22406	64.1
557.31201	3.1
558.22845	6.9
636.08899	7.1
689.24573	2.2
715.25842	1.8
733.27112	100.0
734.27252	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.70752	0.8
61.98704	1.1
67.13906	0.7
70.61912	0.7
70.72629	1.3
78.60828	0.7
78.95807	0.8
79.95573	0.7
80.96407	1.8
83.48418	0.6
112.44864	0.7
122.02985	0.7
134.52698	0.8
161.02257	1.0
162.64282	0.7
179.03424	1.4
179.87817	0.7
255.23201	1.0
277.21793	1.3
291.19553	1.4
441.19287	0.8
498.15378	1.9
512.16827	2.4
587.21283	1.2
600.22302	28.6
601.22510	8.5
632.21381	5.7
633.21411	1.3
673.25055	1.6
674.24396	1.0
733.27197	23.9
734.27679	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	733.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01624	0.3
59.01248	4.4
61.98702	100.0
63.99136	0.3
69.03297	0.4
71.01253	3.6
72.99181	1.1
73.02805	0.6
75.00753	0.4
78.95801	0.7
78.98476	0.4
79.95610	1.1
80.96390	7.0
81.03343	0.4
85.02815	1.8
87.00777	0.8
88.98666	0.4
89.02328	0.6
89.03821	0.4
94.97961	1.5
95.04901	0.6
96.95886	0.7
98.20571	0.7
99.00735	0.6
99.08419	0.3
101.02309	1.7
105.03320	1.5
109.02839	1.2
109.06436	0.5
111.00826	0.3
113.02341	1.8
116.92773	0.9
121.02843	0.9
123.04410	0.6
125.02344	0.4
132.02060	1.8
133.02858	13.3
134.03664	3.9
134.97514	0.6
135.04443	5.9
137.02351	4.0
139.03905	1.4
143.03368	0.4
145.02888	0.5
148.99081	0.4
149.02364	0.4
150.03142	0.7
152.98517	0.4
160.01578	2.3
161.02353	16.0
161.04417	0.7
162.02734	0.7
163.03870	0.3
163.11234	0.5
164.98584	1.2
165.05319	0.3
171.10101	0.4
175.03903	0.4
177.01907	1.2
178.02632	2.8
179.03416	8.3
180.03793	0.5
187.07599	0.5
194.02182	0.4
197.11803	0.7
201.05580	0.6
203.03452	0.7
204.38310	0.3
206.54443	0.3
207.10258	0.5
209.11815	3.5
224.98758	0.4
225.00615	2.1
225.11217	0.5
227.12762	0.6
231.10297	0.8
233.04617	0.4
245.04584	0.4
255.23364	0.4
257.08215	1.1
275.09305	0.7
431.13507	3.3
432.14267	0.4
459.13217	0.6
485.13113	1.0
487.14514	0.4
507.15561	0.4
576.18420	22.2
577.18848	4.0
664.19983	0.7
673.25122	0.7
733.27307	9.2
734.27887	1.1
735.80560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20701	0.2
53.60035	0.2
55.01748	0.4
57.03325	1.9
58.00458	0.4
59.01250	7.1
61.98690	0.3
69.03332	2.1
71.01247	4.3
71.04874	0.6
72.99194	0.4
73.02825	0.7
83.04889	0.8
85.02829	1.1
87.00751	1.1
88.76613	0.3
89.02323	3.1
93.03355	0.7
95.01268	0.5
95.04874	1.3
97.02859	0.3
97.06506	0.4
99.00732	0.3
101.02330	4.0
109.06486	1.2
111.08045	7.4
112.08389	0.4
113.02332	1.8
113.09595	0.6
117.03360	0.4
119.03392	0.9
124.99886	0.3
125.09605	0.5
133.02864	0.5
135.11710	0.7
137.09627	0.8
141.09129	0.4
143.03412	0.6
145.04965	0.6
149.09645	0.8
153.09096	0.3
161.02359	1.2
161.04459	1.6
161.13293	0.4
163.11205	0.3
167.10712	4.3
177.12791	2.7
179.03462	0.4
179.05550	0.7
179.10686	2.6
179.14325	2.7
186.49030	0.3
195.13844	14.1
196.14131	1.2
203.14357	0.3
205.12274	8.6
206.12549	0.5
223.13348	84.8
224.13724	5.1
235.08171	3.6
237.14948	0.5
247.20712	2.0
253.09248	9.4
273.18579	1.4
277.18097	0.4
291.19653	100.0
292.20020	8.5
382.92462	0.3
403.24585	0.4
407.15387	0.8
409.80695	0.3
416.15686	0.6
441.21249	0.6
459.22394	8.8
460.22720	0.8
479.31635	1.1
497.32709	1.2
509.27423	1.1
510.27707	0.3
527.28632	7.0
528.28693	1.2
663.37213	0.4
689.38263	0.4
715.40747	1.5
716.40442	0.3
733.41595	1.5
734.33185	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.8
69.03376	2.1
69.52583	13.0
78.95773	31.4
79.15753	1.6
80.21404	1.7
80.96395	6.1
85.02829	8.2
86.89080	1.8
94.97982	2.2
96.95899	3.2
97.06464	3.0
99.44946	1.7
99.92482	2.2
110.98411	21.6
122.97529	2.5
127.11193	2.4
151.08305	1.7
160.31467	2.2
167.01094	7.5
171.10165	33.5
179.89119	1.7
183.13936	3.2
183.82063	1.9
211.13322	19.3
221.11809	2.7
229.14383	11.8
239.12889	2.4
253.21895	4.8
255.23253	81.6
256.23691	4.5
291.19824	4.7
327.21777	56.3
328.22253	5.5
329.23383	4.1
423.25186	6.4
497.25275	15.6
733.46942	100.0
734.47595	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.5777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61990	1.9
59.01240	8.1
71.52052	3.7
73.32104	2.0
73.95452	2.0
74.69281	2.1
78.95776	4.7
83.08478	2.2
113.15324	2.4
142.98134	2.8
152.99477	3.7
228.38741	2.3
255.23441	3.6
277.21628	4.4
455.35327	100.0
456.35529	18.8
480.28244	2.3
610.41418	2.5
702.21136	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	734.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	8.4
60.01583	0.4
61.98703	100.0
69.03310	0.5
71.01261	1.1
71.52509	0.5
78.95790	0.5
82.57021	0.3
84.33672	0.3
101.02335	0.6
111.08062	0.6
133.02811	0.5
135.04433	0.9
151.04048	0.3
152.99469	0.5
161.02397	1.2
167.10669	0.4
179.03462	1.4
179.14348	0.4
195.13866	1.3
205.12354	0.7
211.13406	0.3
221.11842	0.4
223.13348	8.0
224.13698	0.7
235.08241	0.3
253.09370	0.9
255.23271	0.7
275.20203	0.4
290.69089	0.3
291.19672	5.4
292.19928	1.9
293.21188	3.0
397.13901	0.5
443.88531	0.3
459.22552	0.5
462.59167	0.3
557.32800	0.3
621.17981	0.4
633.20221	0.6
674.24170	0.7
733.26306	0.4
734.25153	6.3
734.36499	0.5
735.25531	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	100.0
62.98411	0.2
72.30360	0.1
90.56300	0.1
104.31377	0.1
107.06067	0.1
135.04411	0.1
147.95863	0.1
177.98502	0.1
179.03421	0.1
193.83665	0.1
245.40967	0.1
464.99155	0.1
468.49005	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	735.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77303	0.7
57.03333	1.5
57.56141	0.6
59.01248	9.0
61.98698	5.6
68.01284	3.5
69.00821	1.0
71.01254	13.1
71.51788	1.1
72.99200	1.8
73.02827	1.4
75.00749	0.9
77.03836	0.7
81.03368	1.0
83.01267	1.4
85.02829	12.9
87.00769	2.0
89.02327	2.5
89.03854	2.1
93.03332	2.9
95.01263	3.0
95.04905	0.9
97.02817	0.9
99.00781	1.3
101.02335	2.5
105.03357	3.2
107.04916	1.3
109.02827	1.1
113.02328	18.0
117.03397	1.2
119.03400	0.7
119.04889	0.8
121.02838	2.8
123.00802	0.7
123.04407	14.3
124.04740	1.2
129.01781	0.6
132.02104	1.7
133.02850	30.4
134.03600	3.4
135.04410	28.3
135.05453	1.3
136.04758	1.8
137.02371	3.6
139.03922	2.7
145.02873	2.0
147.04428	0.6
148.01506	1.2
149.02347	9.4
149.70889	0.8
150.03139	3.6
151.03915	2.3
157.72937	0.5
159.02904	2.6
159.04390	1.3
161.02361	48.3
161.04520	2.0
162.02751	2.5
163.03929	1.5
165.01869	0.9
170.25677	0.6
172.05214	0.9
173.05991	2.2
174.03072	1.0
175.00356	1.0
175.03908	1.8
175.07506	0.9
176.01041	2.7
177.01851	100.0
178.02190	5.5
179.03424	33.5
180.03786	2.8
187.03922	1.0
187.07568	5.5
189.05539	1.7
195.02931	5.3
196.03214	1.3
200.98987	0.5
201.05522	2.5
202.06303	7.3
203.03436	0.7
203.07021	2.1
203.10677	1.3
207.20197	0.6
215.52521	0.6
217.04912	0.7
218.05762	1.7
220.07323	0.9
229.08615	0.8
230.09277	0.6
231.10182	5.0
233.04585	0.7
235.47450	0.6
247.09766	4.0
249.11298	2.4
251.05542	1.0
341.10709	2.2
351.05676	0.9
352.06348	0.7
411.16638	0.8
443.27258	0.8
487.14200	1.0
503.13638	0.7
505.26483	1.2
539.21399	0.9
555.20959	1.1
557.22382	27.9
558.22467	4.4
573.22003	5.6
623.19226	3.2
637.17224	1.3
638.18549	2.6
663.22217	0.9
691.25653	1.0
717.23749	3.3
735.24878	40.8
736.25171	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	735.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.6
59.01250	12.2
61.24380	0.5
61.98703	100.0
71.01252	9.8
72.99173	1.1
73.02815	1.5
75.00761	1.2
76.28304	0.5
77.97934	0.4
78.95783	1.4
78.98482	2.4
79.95610	4.7
80.96390	24.8
83.01267	0.7
85.02830	4.4
87.00729	2.9
88.98663	0.7
89.02309	2.7
89.03876	0.9
93.03312	0.6
94.97961	6.0
95.01274	1.6
96.95911	2.7
97.02839	1.2
98.19790	1.5
99.00765	0.8
99.04368	0.8
101.02312	4.0
106.97965	1.0
109.02832	1.2
111.00743	0.7
113.02335	5.4
116.92802	0.5
117.03351	2.0
119.03412	1.3
119.04929	1.2
120.99583	0.5
121.02742	0.6
122.97468	1.2
123.04403	1.5
125.02343	1.7
127.03901	0.9
128.93483	0.5
132.02066	19.4
133.02892	4.3
134.03633	26.7
134.97513	1.4
135.04498	4.4
136.99055	0.8
137.02364	2.6
137.05891	0.7
139.03902	1.0
145.02852	1.4
148.99054	2.3
149.02335	0.7
149.05980	3.5
151.03889	0.7
152.98547	2.8
153.05627	0.5
157.17870	0.6
160.01573	57.7
161.02341	8.1
161.04460	1.1
162.02751	0.7
163.03903	0.9
164.98532	4.9
167.06975	1.3
175.03926	69.8
176.04279	4.4
177.01859	7.0
178.02640	1.4
179.03426	5.6
193.04996	24.2
194.05357	1.6
202.43701	0.5
206.99524	1.2
209.11772	3.8
210.12189	0.6
225.00681	8.1
227.12834	0.7
253.09344	0.7
280.63855	0.5
293.21259	0.5
297.12210	0.8
329.12253	0.6
339.06683	0.6
371.79575	0.5
405.17218	0.5
421.14972	0.7
433.12152	0.6
475.18207	0.7
505.17175	13.3
506.17578	2.0
507.15085	0.6
547.18262	1.7
547.86987	0.6
579.10638	0.5
615.21100	2.3
616.21747	0.7
633.22235	0.8
638.18256	1.1
651.22632	1.6
693.24084	4.5
694.24719	0.9
735.28412	35.4
736.29254	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.6
58.39186	1.2
59.00967	1.4
59.01252	25.2
61.98708	8.7
66.68401	1.4
69.03321	2.5
69.36975	8.5
71.01257	18.2
72.99162	1.7
73.02808	3.4
78.95742	2.8
80.02582	1.6
81.03331	3.1
83.01234	2.6
83.04882	3.8
85.02808	5.4
87.00743	4.8
89.02316	9.6
90.66788	1.3
93.03341	1.9
95.01246	1.7
95.04897	2.9
97.02823	10.6
97.06460	3.5
99.00740	3.0
101.02326	11.2
106.04104	1.9
107.04915	2.3
109.06481	51.6
110.03622	2.8
111.04398	5.1
111.08036	10.5
113.02348	9.0
119.03370	2.3
121.06463	4.8
123.04385	1.7
123.08063	1.5
125.02331	1.8
125.09608	7.9
135.08070	7.6
136.05128	2.0
137.09557	2.8
142.02631	3.4
145.04910	2.2
151.11185	2.0
152.99478	2.4
161.02376	1.4
161.04451	4.8
161.09599	4.4
163.11217	23.0
167.10695	3.2
171.10184	3.0
177.12761	4.2
179.03432	2.0
179.10669	5.9
181.12248	6.1
185.11765	7.2
187.09706	3.5
189.09131	2.7
195.13872	14.3
205.08588	3.8
206.90822	1.4
207.10222	100.0
208.10558	7.0
209.11749	7.2
210.71329	1.4
221.11702	2.7
223.09726	9.9
223.13287	7.4
225.11290	53.5
226.11549	2.9
235.08226	7.5
237.14897	7.3
247.20409	1.8
253.09264	16.9
254.09364	1.5
273.18741	2.1
275.20065	1.7
277.18011	12.9
277.20810	2.1
278.18314	2.4
279.15955	9.0
289.18112	2.9
291.19672	78.7
292.19925	5.8
293.21237	20.0
294.21631	3.0
299.15201	1.5
305.21295	1.9
329.21176	4.0
385.23788	1.9
405.17654	3.1
437.30991	1.6
443.19476	3.7
461.20282	14.2
462.20154	2.1
463.28824	6.6
481.29550	23.3
482.29935	4.5
499.30771	14.2
500.31015	2.2
502.54861	1.5
527.28748	1.9
621.33118	3.1
699.37799	4.4
700.38092	2.1
717.38513	52.0
718.38947	10.7
735.39642	50.1
735.52087	3.0
736.40204	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	735.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.2
58.25840	2.0
59.01251	30.9
61.98704	62.2
71.01256	22.7
72.99192	2.5
73.02820	2.5
78.95786	7.1
81.03348	4.6
83.01261	3.0
83.04474	2.1
83.04880	11.4
85.02831	9.3
87.00767	5.4
89.02322	9.2
95.01265	3.7
95.04894	6.4
97.02843	12.0
97.06464	5.3
101.02332	18.6
107.04899	3.7
109.06483	49.8
110.03630	4.3
111.04433	12.8
111.08039	9.6
113.02312	11.3
119.03394	4.3
121.06481	5.5
123.08076	2.1
125.09640	10.2
133.06538	2.4
135.04430	3.7
135.08055	4.6
136.05212	2.3
137.09618	2.2
139.65778	2.3
142.02621	4.0
149.09607	2.5
151.11188	3.2
152.99446	3.7
161.02361	5.3
161.04491	6.6
161.09633	8.3
163.11185	27.3
167.10669	2.3
171.10196	6.5
177.12816	5.0
179.03450	5.4
179.10699	8.7
181.12274	6.4
185.11786	10.0
195.13850	11.1
197.11717	3.0
205.08669	7.8
207.10219	100.0
208.10567	6.3
209.11790	26.7
211.13475	2.3
223.09737	27.1
223.13271	4.8
225.11285	49.9
227.12709	2.6
235.08200	8.0
237.14896	7.3
253.09286	21.1
253.32907	2.7
255.23241	11.7
261.15030	2.2
269.21255	5.8
275.20218	3.2
277.18127	15.5
277.21515	10.3
278.21988	2.1
279.16016	9.8
279.23560	3.5
289.18112	7.8
291.19690	63.6
292.19922	5.3
293.21274	30.7
294.21524	3.7
329.23651	12.1
405.17566	3.2
437.30423	3.0
443.19284	4.0
459.18796	4.4
461.20456	17.2
463.28391	8.9
481.29578	24.5
482.29678	3.6
483.27014	2.6
499.30890	13.3
549.64807	2.1
621.33167	3.9
699.37439	7.4
717.38550	59.4
718.38605	15.0
735.39508	42.7
735.48969	23.7
736.39435	9.1
736.49274	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	735.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.2
57.03323	0.8
59.00957	0.3
59.01252	5.7
60.88060	0.2
68.63511	0.2
69.03329	1.8
71.01256	3.9
71.04903	0.9
72.99173	0.2
73.02840	0.7
79.40399	0.2
83.01267	0.4
83.04897	0.5
85.02829	1.3
85.06469	0.5
87.00756	0.8
89.02324	2.4
93.03344	0.3
95.01273	0.3
95.04927	0.4
97.02871	0.2
97.06485	0.4
97.56918	0.2
98.20591	0.4
101.02326	4.4
109.06483	0.7
111.03385	0.2
111.08045	0.4
113.02326	2.0
113.09620	0.2
113.99068	0.2
119.03398	0.8
121.10073	0.3
121.56398	0.2
123.08159	0.2
125.09635	0.4
127.07540	0.2
133.04993	0.2
135.11682	0.3
141.09117	0.4
143.03354	0.3
145.05002	0.4
149.09608	0.7
153.09209	0.3
161.04453	1.9
161.13222	0.4
167.10703	3.4
177.12813	0.9
179.05518	0.6
179.10741	1.5
179.14342	3.9
181.12207	0.2
187.11191	0.3
195.13844	17.2
196.14342	1.4
205.12282	10.4
205.15605	0.3
206.12595	0.8
211.13341	0.5
223.13351	100.0
224.13689	7.9
225.14865	0.8
228.13632	0.6
235.08211	3.1
253.09264	16.0
254.09637	0.7
256.13126	1.1
265.21777	0.3
275.20160	5.6
276.20358	0.5
293.21222	79.0
294.21542	9.1
358.39905	0.2
441.21136	0.5
452.55865	0.2
459.22348	9.1
460.22662	1.6
499.34268	0.8
527.14313	0.2
529.30133	1.0
735.42511	0.8
736.44733	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95049	0.3
58.73241	0.3
59.01254	0.9
61.98701	100.0
63.02199	0.3
78.15749	0.2
78.95815	0.3
79.83503	0.3
94.47544	0.2
98.09438	0.3
101.02290	0.3
108.78112	0.3
133.02834	0.4
133.18542	0.3
136.79779	0.3
161.02390	0.8
179.03479	0.7
191.73964	0.3
195.13875	0.3
197.11685	0.3
207.10307	0.9
209.11911	0.5
211.13365	0.3
223.09796	0.4
223.13434	0.9
225.11360	0.4
229.99153	0.4
235.08104	0.3
253.09258	0.3
259.76282	0.3
291.19766	0.6
293.21371	1.4
326.74606	0.3
365.10403	0.3
415.15576	0.3
417.16617	0.3
455.17218	0.3
456.18164	0.4
457.17456	0.4
458.18115	0.4
459.18082	0.4
460.19083	0.5
471.11765	0.3
473.18527	0.6
475.18509	0.3
477.15558	0.3
496.14026	0.6
500.15295	0.4
511.15915	0.7
512.13800	1.0
513.14398	0.6
514.14539	0.5
515.14038	0.8
526.15289	0.7
527.15509	0.7
529.15668	0.5
530.16248	0.7
586.19751	0.6
599.20898	0.4
602.21625	0.5
614.20203	4.4
615.20477	2.3
616.20343	2.1
616.73480	0.4
617.20441	6.5
618.20557	2.6
619.19708	0.4
646.19940	0.5
653.68481	0.3
735.85687	0.6
736.20868	1.6
737.41827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54881	0.1
59.39470	0.1
61.74013	0.1
61.85201	0.1
61.98702	100.0
62.98383	0.2
64.02856	0.1
80.96418	0.1
86.04966	0.1
490.92691	0.1
736.29852	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.3
61.98703	100.0
62.98412	0.4
71.01269	0.7
71.51946	0.3
71.76796	0.2
78.95779	0.6
85.02836	0.4
101.02393	0.2
113.02366	0.2
133.02850	0.4
135.04439	0.6
137.02382	0.3
149.03961	0.2
150.66917	0.3
152.99561	0.3
161.02386	0.7
179.03403	0.6
190.85907	0.2
197.11810	0.8
202.06322	0.2
209.11740	1.6
250.74950	0.2
271.91751	0.2
283.13409	0.3
291.19720	0.5
305.22388	0.2
407.66995	0.3
447.92105	0.2
644.23004	0.4
673.25061	0.2
676.25946	0.3
705.36774	0.3
737.40240	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2668
Annotation	Ligupurpuroside C
Peak:m/z	Relative Intensity
56.09846	0.6
58.00465	0.8
59.01250	14.6
61.98709	4.3
70.74490	0.6
71.01252	10.4
71.51472	0.7
72.99190	1.6
73.02840	1.0
75.00768	0.8
77.55859	0.5
83.01266	1.5
85.02831	5.4
87.00774	0.8
89.02315	6.5
93.03358	1.2
95.01289	1.9
96.95925	0.9
99.00769	0.7
99.93373	0.5
101.02312	5.8
102.58993	0.6
111.00743	1.0
113.02328	7.2
117.03347	1.7
119.03462	2.6
119.04916	96.9
120.05248	3.2
120.54342	0.5
121.02847	0.6
123.04402	1.0
133.02864	4.4
133.06499	0.8
134.03688	1.2
135.03384	0.9
135.04419	7.1
137.02336	6.2
145.02849	5.4
147.04477	0.6
160.01576	1.1
160.69788	0.6
161.02364	8.3
161.04472	1.6
161.13246	1.3
162.02701	1.0
163.03918	100.0
164.04298	4.1
175.03914	1.0
177.01839	1.6
179.03435	4.2
179.05521	1.1
180.03770	0.7
187.11217	4.2
197.04486	0.8
202.02614	0.9
205.05014	1.0
205.12300	2.2
229.12166	0.7
249.11307	1.0
283.10422	1.2
307.08041	1.2
325.09128	3.1
393.15411	1.2
461.16678	1.0
467.16068	0.6
471.25821	1.2
487.14502	0.6
503.34177	2.0
513.21295	6.1
514.21411	1.5
515.30133	1.6
557.20294	9.3
558.20673	1.9
573.21936	1.5
575.21271	1.5
719.25604	2.6
737.25861	18.5
738.26440	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	737.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87683	0.3
57.03324	0.7
59.01249	4.2
59.56305	0.3
61.61655	0.4
61.98705	16.9
63.96104	0.9
64.16509	0.4
69.03318	0.9
71.01250	9.2
72.99187	1.1
73.02823	1.7
75.00755	0.5
78.95802	0.7
78.98460	5.2
79.95607	12.8
80.02496	0.4
80.96391	66.3
81.03336	1.1
83.01261	1.0
83.04897	1.1
85.02821	4.5
87.00753	4.3
88.98691	0.7
89.02314	2.0
94.97960	16.2
95.01276	0.9
96.95888	1.7
97.02820	1.7
99.00761	1.3
101.02326	3.9
106.93243	0.4
106.97965	3.5
113.02335	2.1
117.03311	0.7
119.03370	0.8
119.04909	0.4
122.97462	3.3
125.02329	3.0
127.03878	1.0
132.02121	0.4
133.02827	2.0
134.03580	0.6
134.97470	4.8
135.04420	2.9
136.99017	1.4
137.02341	1.7
143.03386	0.5
145.02846	1.3
148.99040	7.2
152.98544	5.4
160.01581	0.6
161.02364	4.2
161.04478	0.9
162.02663	1.1
163.11230	0.5
164.98549	12.5
167.00107	0.5
171.10162	0.6
173.85585	0.4
175.03934	0.5
177.01849	0.4
178.02365	0.4
179.03458	2.1
179.05530	0.8
182.69447	0.3
187.07616	0.6
188.07935	0.5
193.05058	0.5
197.11777	0.9
200.04634	0.4
201.05376	0.6
206.99625	3.0
209.11771	8.2
210.12090	1.5
225.00697	22.7
226.01051	0.6
227.12764	0.7
231.06567	0.4
241.14459	0.6
257.08145	0.8
258.08459	0.6
283.05011	0.6
302.42365	0.4
312.30997	0.4
389.98248	0.4
407.15430	0.5
416.65805	0.7
509.17084	4.4
515.30054	0.6
615.72766	0.9
630.23163	0.6
662.32874	0.8
663.33417	1.1
674.25354	0.9
677.34937	2.0
711.78876	0.5
720.79474	1.6
721.29712	0.6
737.30585	100.0
738.30859	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	737.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	25.2
61.98705	100.0
69.44313	25.7
71.01244	11.0
72.99191	3.8
78.95752	9.3
80.66060	3.7
85.96114	3.4
87.00768	4.7
88.98679	12.3
89.02320	4.1
95.14232	3.7
101.02316	8.4
106.40408	3.6
112.76213	3.7
113.02312	8.4
133.02863	4.0
134.03607	4.7
135.04443	11.0
161.02356	15.6
179.03371	11.7
197.11729	44.8
209.11761	55.0
223.13330	20.4
227.12791	9.9
253.09225	9.4
291.19568	9.7
293.20984	6.0
309.20612	4.9
382.45453	3.7
433.20605	6.2
445.20529	4.8
459.22458	4.3
513.46039	4.6
570.42310	4.0
651.34039	4.4
737.34949	20.4
738.33026	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	737.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84111	0.5
59.01250	12.3
64.34335	0.5
65.82611	0.5
69.03322	0.7
71.01260	6.7
71.31458	0.5
73.02816	1.4
80.02554	0.8
81.03334	2.5
83.01257	1.0
83.04895	2.6
85.02838	1.7
85.99950	0.7
87.00734	1.2
89.02328	3.2
90.15701	0.5
93.03362	0.7
95.01328	0.7
95.04918	1.0
97.02819	6.6
98.19786	1.5
99.00758	1.4
101.02322	5.0
106.04126	0.7
107.04909	0.8
109.06477	28.7
110.03600	1.6
110.06823	1.1
111.55877	0.6
113.02334	2.4
121.06496	2.5
123.04435	3.6
125.09546	0.8
135.08063	3.4
136.05231	1.5
142.02599	1.7
161.04440	1.5
161.09625	2.3
163.11198	15.7
164.11504	0.9
171.10211	0.7
179.10733	1.3
181.12315	2.8
189.09138	3.6
195.13850	9.9
196.14493	1.2
207.10208	92.9
208.10539	6.2
209.11845	2.7
211.13480	0.6
217.43346	0.6
223.13324	5.7
225.11279	31.9
226.11644	2.2
235.08205	4.0
253.09262	23.1
254.09561	1.0
256.13138	1.5
275.20163	5.8
281.13928	0.9
291.19681	1.2
293.21228	100.0
294.21512	8.5
299.15079	0.9
443.19168	5.2
461.20227	10.4
462.21060	0.9
483.31131	1.0
501.32330	0.7
529.30231	1.3
575.35645	0.8
668.35083	0.7
719.40448	2.2
720.41095	1.1
737.41162	37.7
738.41516	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	737.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88201	0.5
57.03332	0.9
59.01253	11.1
61.98705	100.0
69.03338	1.4
71.01254	9.0
71.04887	0.6
71.31147	0.7
71.31471	0.9
72.99193	0.9
73.02823	1.8
78.95782	6.4
80.02579	0.7
81.03339	1.2
81.26723	0.5
83.01292	0.9
83.04910	2.1
85.02843	2.6
87.00740	1.5
89.02315	4.9
93.03324	0.6
95.01264	2.3
95.04913	4.4
97.02824	3.1
97.06456	0.6
99.04424	0.9
101.02322	5.2
106.04138	1.1
109.06487	10.2
110.03631	1.9
111.04416	1.4
111.08054	1.6
113.02307	3.4
118.29094	0.6
119.03419	1.9
121.06512	0.6
125.02331	0.8
125.09630	0.6
127.65748	0.5
133.02885	0.6
135.04424	0.7
135.08060	1.6
143.03404	1.0
145.05037	1.0
145.10037	0.6
151.07555	0.6
151.11208	0.9
152.99500	2.5
155.91942	0.5
161.02290	0.6
161.04465	2.3
161.09648	1.7
163.11209	10.3
165.12804	0.9
169.12267	1.0
171.10176	1.9
179.03476	0.8
179.05525	2.2
179.10677	1.8
181.12280	3.5
183.13873	0.8
183.27194	0.6
184.25290	0.6
189.09094	4.6
191.10735	1.3
193.05099	0.5
195.13832	4.2
197.11765	4.1
199.13298	0.8
207.10214	33.3
208.10562	1.8
209.11784	18.8
209.13797	0.9
210.12119	2.0
211.13425	2.7
223.13307	3.1
224.13754	0.8
225.11287	84.6
226.11650	5.4
227.12865	2.9
235.08191	4.0
253.09254	14.6
254.09541	0.8
275.20114	3.1
277.21783	1.5
279.22531	0.7
289.18121	2.1
290.18335	1.0
291.19669	4.2
293.21231	40.1
294.21487	4.7
299.14838	0.6
309.20721	7.2
365.39383	0.5
397.13806	1.0
398.14270	0.7
399.13678	1.1
443.19437	5.4
444.19354	1.3
445.20605	1.7
461.20264	19.8
462.20621	2.3
668.34052	1.5
719.39709	0.7
737.41077	13.4
737.53046	1.0
738.40332	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.2
59.01247	7.0
61.50235	0.4
61.98702	4.3
69.03320	1.5
70.03958	1.4
71.01255	3.8
71.04904	0.8
78.95793	0.7
83.01216	0.5
83.04902	0.6
85.02831	1.1
85.06472	0.5
87.00734	0.8
89.02327	2.9
93.03269	0.3
95.01254	0.5
95.04906	0.5
97.06461	0.5
101.02309	3.2
109.06485	0.8
111.08008	0.4
113.02322	2.3
113.09612	1.4
119.03362	1.2
125.09519	0.4
128.38264	0.4
145.04889	0.4
149.09612	0.5
152.99454	0.5
161.04486	1.4
167.10713	2.8
169.12279	1.4
171.10199	0.4
177.12752	1.2
179.05539	0.5
179.10709	1.1
179.14360	3.0
181.12215	0.5
195.13844	20.6
196.14159	1.3
197.11800	3.1
205.12283	9.2
206.12646	0.9
207.10184	1.7
207.61270	0.4
209.11838	0.6
223.13361	83.1
224.13737	5.1
225.11292	1.3
228.48912	0.5
235.08240	3.2
253.09274	17.1
254.09631	0.7
277.21707	17.7
278.22058	1.5
293.21210	2.7
294.21442	0.4
295.22791	100.0
296.23129	8.1
459.22318	8.7
460.22452	0.9
501.36264	2.0
502.35831	0.4
531.31744	1.1
582.29364	0.4
737.41241	5.8
738.41461	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.3
59.16608	0.0
61.98704	100.0
62.61694	0.0
62.98400	0.2
62.99137	0.1
69.91718	0.0
71.01269	0.1
78.95815	0.1
85.02868	0.1
87.00777	0.0
89.02332	0.2
97.02888	0.0
101.02349	0.1
109.06502	0.1
113.02345	0.1
125.02363	0.0
156.08104	0.0
163.11218	0.1
163.24121	0.0
207.10155	0.2
208.10619	0.1
209.11798	0.4
211.13390	0.0
219.63910	0.0
223.13327	0.1
225.11227	0.2
226.11699	0.1
227.12860	0.2
229.80530	0.0
235.08189	0.1
253.09355	0.1
277.21899	0.1
278.22195	0.2
279.22430	0.1
293.21243	0.4
294.21704	0.1
397.13678	0.1
398.13974	0.1
399.13892	0.2
400.14508	0.1
417.15018	0.1
418.15823	0.1
462.20654	0.1
496.42990	0.0
738.41553	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	738.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.5
61.10244	0.1
61.98705	100.0
62.35285	0.1
62.98407	0.2
71.00210	0.2
71.01267	0.3
72.99197	0.1
80.02565	0.1
83.04921	0.3
89.02339	0.3
95.49449	0.1
101.02374	0.4
102.02493	0.1
113.02321	0.2
119.03401	0.1
157.62010	0.1
163.11264	0.3
165.12889	0.1
171.35712	0.1
171.78941	0.1
195.13890	0.4
209.11780	6.6
210.12280	0.1
223.13440	0.2
225.11345	0.2
227.12808	1.1
235.08209	0.2
253.09340	0.9
275.20255	0.4
277.21729	0.2
278.22275	0.3
279.22430	0.1
293.21246	3.9
397.13599	0.1
398.13956	0.2
399.14029	0.2
400.14456	0.1
755.57776	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	739.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.6
59.01250	8.6
59.07337	0.4
61.98707	1.3
68.07262	0.3
71.01250	7.7
72.99194	0.9
73.02821	2.7
75.00750	1.9
83.01262	1.4
85.02825	4.7
87.00744	0.8
89.02320	3.1
95.01262	1.0
97.02878	0.3
98.20548	1.0
99.00782	1.2
101.02316	5.9
101.02940	0.6
105.03350	1.1
108.57616	0.4
109.02817	0.5
111.00727	0.4
113.02335	4.6
117.03350	1.9
119.03366	1.1
119.04846	0.4
121.02807	0.4
123.04467	0.4
125.02356	0.3
127.03904	0.7
129.52147	0.3
131.26897	0.4
132.02104	2.2
133.02847	35.7
134.03233	1.4
135.04404	5.5
137.02371	0.4
143.03412	0.5
145.02791	0.7
156.82176	0.4
159.02885	0.6
160.01585	0.6
161.02350	100.0
161.04520	3.0
162.02689	4.3
163.03981	0.6
179.03432	1.3
221.06598	0.6
238.58926	0.3
269.10266	1.0
366.22433	0.4
401.04312	0.3
415.16019	0.4
455.32037	0.5
517.31793	1.2
577.21027	2.9
739.24481	58.6
740.24713	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	739.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04039	1.4
57.03313	1.3
58.00468	3.0
59.01254	36.8
61.41108	1.3
61.98701	9.3
69.03333	1.8
70.27597	1.1
71.01254	32.8
71.31422	2.4
72.99168	2.9
73.02809	6.8
77.71442	1.1
78.95782	3.1
81.03336	1.8
83.01253	3.5
85.02821	6.0
87.00770	6.6
89.02320	22.8
95.01275	3.5
97.02837	6.6
99.00758	2.7
101.01701	2.2
101.02321	27.8
109.06482	2.4
110.37442	1.2
110.90104	1.2
111.04383	1.3
113.02318	11.7
119.03376	8.4
125.02338	10.5
125.09647	1.8
127.11175	1.4
137.71396	1.3
139.03893	1.2
143.03363	6.2
149.04419	1.9
152.99438	2.4
161.04439	5.3
163.11198	2.3
171.10179	37.7
172.10483	2.4
175.31023	1.4
179.05505	4.4
181.12206	1.4
196.99629	1.3
197.11797	4.2
201.11313	4.9
207.10202	8.9
209.11816	10.9
210.12036	2.4
211.13342	6.3
211.74454	1.2
225.11259	18.7
227.12827	2.8
235.08202	13.9
245.06616	1.8
253.09218	10.9
277.09314	1.4
277.21729	57.5
278.21997	5.4
281.24847	81.3
282.25269	8.0
287.07684	3.8
291.19745	1.9
293.21191	8.6
294.21408	2.3
305.08737	4.2
397.13513	100.0
398.13898	8.1
415.09030	2.2
415.14603	31.9
416.14981	2.4
421.67731	1.3
443.18970	2.0
461.20044	1.9
515.01868	1.4
524.83075	1.6
679.39355	2.4
721.41211	3.9
739.41626	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	739.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	42.8
61.98705	36.8
67.40854	2.5
69.03297	3.3
69.37004	16.4
71.01256	41.4
72.99193	5.2
73.02806	6.9
77.11028	2.7
78.95773	18.7
83.01207	3.5
85.02823	11.1
87.00734	6.8
89.02318	23.3
90.87694	2.4
93.59621	2.6
95.01298	3.3
95.13391	2.8
97.02824	5.8
99.00745	4.2
101.02326	26.6
101.54111	2.7
109.06417	3.8
111.04360	3.8
113.02336	14.7
119.03390	7.7
125.02285	7.8
125.09592	3.5
135.95235	2.7
143.03397	6.5
149.09523	3.1
152.99478	11.3
161.04430	6.6
163.11203	4.8
171.10193	44.4
172.10461	3.3
179.05574	4.5
181.12321	2.9
194.97368	2.5
196.62473	2.9
197.11752	5.5
201.11218	18.9
207.10216	23.6
209.11734	9.7
210.12137	4.3
211.13354	4.1
223.09892	4.2
223.13319	6.6
224.10091	3.2
224.13596	4.3
225.11314	42.1
226.11401	4.0
227.12860	3.8
235.08206	14.2
243.12338	3.8
253.09187	20.6
260.44550	3.1
277.21732	100.0
278.22086	12.9
281.24844	73.3
282.25186	6.9
287.07709	3.6
291.19717	5.9
293.21136	16.0
294.21429	8.1
295.21603	3.7
304.49420	2.7
305.08841	3.5
397.13480	97.0
397.18640	5.5
398.13702	7.9
415.14618	30.7
429.20120	2.8
461.20316	5.8
482.93365	3.0
611.66461	3.1
721.41577	4.3
739.42175	26.0
760.13879	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	3.9
58.18552	1.3
59.01254	82.2
61.75951	1.7
61.98706	58.3
66.20583	1.6
69.03338	1.5
69.31374	13.3
71.01256	51.5
72.99165	2.2
73.02824	12.5
75.00746	2.6
78.95778	3.7
83.01246	9.2
85.02826	24.1
87.00755	4.1
88.98683	7.9
89.02313	16.1
93.03317	1.6
95.01268	6.2
97.02811	2.9
98.20547	3.4
99.00776	7.2
101.02324	28.3
105.01888	1.8
109.06487	4.1
111.00751	2.2
112.01528	2.2
113.02339	23.1
115.03908	1.5
116.92731	1.5
119.03407	5.8
124.01543	1.9
125.02361	3.1
135.04416	3.5
137.02350	3.3
143.03387	4.2
159.02888	1.9
161.02328	4.9
161.04442	5.8
163.11145	3.1
171.10254	3.8
179.03377	6.0
201.05533	1.8
207.10205	11.2
209.11780	23.9
210.12108	2.0
223.13293	2.7
225.11284	9.9
227.12857	5.7
253.09241	3.4
270.59616	1.4
282.80814	1.6
294.62125	1.6
324.99899	1.6
329.30450	2.0
399.21582	2.1
461.20496	2.6
473.34512	2.0
491.36179	8.5
521.49554	1.5
600.52649	1.7
635.30756	9.1
635.40070	100.0
636.31586	2.7
636.40564	16.5
653.31586	9.2
653.41211	70.4
654.32343	2.3
654.41736	14.7
671.32922	14.6
672.33392	2.8
679.37769	2.2
695.42285	21.1
696.42236	4.9
739.33649	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	739.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	16.8
61.98702	28.5
69.81229	2.1
71.01246	16.3
71.52299	1.9
73.02805	3.7
78.95783	38.4
83.04906	2.2
87.00756	2.7
89.02327	5.9
96.96838	3.4
97.02822	3.4
99.00746	9.5
101.02321	6.3
113.02332	6.1
116.30885	2.2
125.09589	6.9
127.11168	2.9
143.03395	2.7
152.99484	21.7
163.11180	7.0
167.97565	2.2
169.12302	2.2
171.10173	32.5
181.12294	12.0
195.13847	2.8
197.11777	4.0
199.13336	22.3
200.13588	2.4
201.11221	6.7
207.10213	32.9
208.10478	2.6
209.11772	8.1
211.13362	11.1
223.13269	4.6
225.11269	60.5
226.11607	2.7
227.12854	7.4
228.29666	2.1
234.85275	2.1
235.08167	5.3
242.11304	2.1
243.12401	11.9
253.09224	10.4
261.33752	2.1
269.21054	2.3
277.21671	78.3
278.22070	9.9
281.24606	2.2
291.19659	4.8
292.90695	2.3
293.21219	10.8
294.21478	3.1
429.20462	4.8
443.19025	2.3
445.19919	8.3
461.20364	10.1
463.21072	3.0
721.41736	7.9
739.42474	100.0
740.42645	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.4
59.01252	4.6
61.98706	1.7
70.83965	0.4
71.01255	2.8
71.04904	0.3
72.99165	0.7
73.02830	0.8
80.02573	1.1
81.03336	1.2
83.01259	0.7
83.04903	4.0
84.02048	0.7
85.02837	1.0
85.40763	0.3
87.00771	0.5
89.02327	2.6
95.01254	0.4
95.04906	0.8
97.06500	0.4
100.90987	0.2
101.02323	3.2
111.08039	0.3
113.02316	1.7
119.03374	0.7
125.05962	0.5
145.04997	0.4
161.04469	1.4
163.11189	3.4
165.12756	1.9
167.10742	0.4
171.10150	0.7
179.05574	0.4
179.10872	0.2
179.14317	0.6
181.12247	0.7
191.10719	1.0
195.13844	6.7
196.14302	0.9
205.12358	0.4
205.15742	0.3
209.11777	100.0
210.12114	5.4
211.13429	0.6
221.23143	0.3
223.13361	4.2
224.13774	0.4
225.14877	0.3
227.12845	12.5
228.13246	1.1
231.21162	0.4
235.08217	2.6
240.47882	0.3
253.09274	15.4
254.09523	0.5
256.13132	1.2
265.21909	0.4
275.20163	6.6
276.20587	0.5
293.21225	83.6
294.21552	8.3
329.64264	0.3
445.20776	0.9
485.33200	0.6
492.22092	0.5
496.35388	0.3
503.33713	0.5
529.30450	0.7
739.41711	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.5
57.03310	2.9
58.00446	1.6
59.01252	39.9
59.87390	0.9
61.98704	23.7
70.35861	2.2
70.40348	0.9
71.01257	23.3
71.04897	5.4
72.99171	4.3
73.02811	4.1
74.02326	1.0
74.16856	0.9
75.00739	4.5
83.01257	3.1
84.04420	1.5
85.02811	9.9
87.00736	3.4
88.98668	2.0
89.02329	7.3
93.03321	5.1
93.70512	1.0
95.01236	2.4
97.02836	1.2
99.00745	2.9
101.02321	11.3
102.04837	1.5
102.05487	22.7
108.02035	3.0
113.02334	9.9
117.03367	9.8
118.03706	2.2
119.03365	3.5
119.04932	4.9
121.02843	2.0
123.04388	3.3
125.02319	2.4
128.03429	47.8
133.02837	3.2
134.03590	1.5
135.04419	4.5
137.02332	7.7
145.02852	43.2
146.03181	13.7
146.04480	8.4
147.03340	1.3
149.02364	1.4
151.03902	3.6
152.01106	3.0
160.01567	1.8
161.02357	9.1
161.04437	3.1
161.05879	1.0
162.02882	1.3
163.03929	5.6
167.03531	4.7
169.30699	1.2
175.03925	3.0
177.01830	1.3
179.03418	3.7
179.05489	1.6
193.01302	1.1
193.04999	2.5
265.07205	1.2
269.21423	1.4
287.22250	10.5
288.22464	1.0
289.19708	1.1
297.74866	1.3
301.44836	1.1
307.08286	1.2
385.27206	1.7
417.27863	1.1
423.29114	1.2
425.30463	2.9
431.26553	5.4
437.30530	2.6
449.27585	18.2
450.27744	2.4
457.33212	74.0
459.31256	2.3
462.49582	1.0
489.32294	6.1
501.32193	5.1
517.24426	11.7
517.31714	2.9
518.24884	32.7
518.32147	5.4
519.25159	3.1
519.33197	33.6
533.34613	1.7
534.32465	2.2
561.34308	2.8
593.31818	1.3
611.32855	11.0
612.33276	1.2
722.36041	2.4
740.37164	100.0
741.25922	2.7
741.37939	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	740.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65818	0.1
53.42671	0.1
58.75870	0.1
59.01254	1.0
61.98704	100.0
62.98393	0.1
71.01261	0.4
78.95800	0.1
83.01236	0.1
83.04892	0.2
89.02319	0.4
90.80796	0.1
95.04948	0.1
97.30496	0.1
101.02338	0.4
109.06453	0.1
113.02333	0.3
113.09661	0.1
161.02332	0.1
161.04475	0.2
163.11195	0.3
171.10219	0.1
183.13910	0.1
195.13841	0.7
197.11896	0.2
199.13356	0.5
200.13826	0.2
207.10361	0.2
208.10507	0.2
209.11789	3.0
210.12201	0.2
211.13361	1.1
212.13721	0.3
223.13385	0.1
225.11249	0.1
227.12836	1.5
228.13145	0.5
235.08250	0.3
239.12872	0.2
253.09363	0.8
254.09706	0.1
277.21814	0.3
279.23373	0.3
280.23706	0.1
281.24045	0.1
291.19812	0.1
293.21222	1.9
294.21628	0.9
295.22806	2.8
309.20834	0.3
310.21228	0.2
399.14194	0.3
400.14243	0.2
463.21957	0.2
464.22202	0.2
487.33984	0.1
572.44379	0.1
740.42615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67991	0.1
59.01247	1.2
61.98700	100.0
62.98412	0.1
69.22368	1.1
69.22691	0.2
71.01240	0.6
73.83593	0.1
78.95782	0.3
80.96490	0.1
83.04905	0.2
85.02866	0.1
88.98714	0.1
89.02321	0.4
91.45321	0.1
92.82075	0.1
93.93908	0.1
101.02349	0.3
113.02359	0.2
114.19330	0.1
152.99446	0.2
161.02399	0.2
171.10184	0.2
179.79555	0.1
197.11848	0.4
199.13310	0.2
205.09921	0.1
207.04248	0.2
207.10422	0.2
209.11755	1.7
210.12126	0.6
211.13329	1.4
212.13779	0.4
223.13663	0.1
225.11276	0.2
227.12856	0.4
235.08194	0.2
253.09343	0.5
277.21774	0.2
279.23276	0.3
280.23685	0.3
281.24237	0.2
291.19739	0.3
293.21176	1.3
294.21609	0.8
295.22449	0.2
309.20825	0.4
310.21222	0.2
348.26236	0.1
398.13940	0.2
399.14011	0.4
619.90576	0.1
740.43213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.4
59.01245	4.9
60.01564	0.4
61.98703	65.3
62.98400	0.8
63.99129	4.3
70.90184	1.0
71.01251	4.6
73.02835	0.6
80.02543	1.0
81.03339	1.1
83.01250	0.8
83.04899	5.2
84.02032	1.0
84.05238	0.7
85.02834	0.6
87.00746	1.1
89.02332	2.1
89.38734	0.4
91.34382	0.3
95.04929	0.8
101.02320	3.8
109.06557	0.5
111.08044	0.5
113.02323	1.9
119.03439	0.5
126.88943	0.4
133.02847	0.4
135.08049	0.9
161.04456	1.4
163.11169	3.5
164.11554	1.4
165.12785	2.2
166.13043	0.5
171.10168	0.7
179.05452	0.6
179.10730	0.5
181.12267	0.6
191.10739	0.9
195.13844	4.3
196.14230	1.7
205.12286	0.5
209.11775	100.0
210.12115	42.6
211.12064	1.8
223.13329	3.3
224.13712	1.3
227.12848	12.0
228.13194	5.1
235.08237	2.7
236.08539	0.7
237.14914	0.5
253.09264	14.5
254.09627	4.6
275.20181	3.9
276.20505	2.7
293.21231	48.2
294.21558	35.8
295.21909	1.9
445.20721	0.9
446.20877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54845	0.1
58.27156	0.1
59.01254	0.6
61.98704	100.0
62.98407	0.2
62.99135	0.1
63.69653	0.1
64.19635	0.1
69.43227	0.4
69.43637	0.2
71.01255	0.3
83.04923	0.1
89.02308	0.2
96.95923	0.1
104.19730	0.1
113.02372	0.2
113.47797	0.1
133.02919	0.1
161.02386	0.4
179.03499	0.1
205.66777	0.1
225.16048	0.1
226.16342	0.1
239.04956	0.1
332.58063	0.1
453.34085	0.1
519.33356	0.9
578.19562	0.1
678.50433	0.2
679.50012	0.8
680.50470	1.4
740.49097	1.0
741.26190	0.2
741.50385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02535	2.0
57.03322	1.9
58.71695	1.8
59.01250	12.7
61.98706	3.1
62.80127	2.3
63.33860	2.5
63.71581	2.1
65.15474	2.0
67.24815	2.0
71.01254	14.3
71.52145	4.0
72.97421	4.3
72.99184	2.7
78.77760	2.1
84.69138	2.2
85.02821	9.9
88.98691	3.7
89.02325	5.8
93.03367	4.5
93.94707	2.1
99.00826	3.1
101.02353	5.7
105.56886	2.4
113.02341	19.1
119.03384	2.6
123.04433	4.3
132.02022	2.6
133.02853	30.4
134.03642	6.7
135.04420	100.0
136.04736	3.4
137.02303	6.7
142.11118	2.3
150.03099	2.6
151.03937	3.5
161.02353	70.8
161.04437	4.1
162.02742	4.0
165.00153	2.8
166.00806	2.8
167.01631	4.4
177.01788	4.2
177.05548	2.3
179.03423	98.5
180.03723	4.8
219.74823	2.7
241.81549	2.1
328.98508	2.3
347.16824	2.4
441.29550	2.7
487.14676	3.8
489.32153	4.1
501.32541	3.4
510.27377	2.5
519.33362	18.2
535.15424	3.0
561.25836	5.5
621.17682	3.7
623.19751	25.2
624.20270	4.2
653.15479	5.9
655.17322	21.9
656.17212	3.3
697.18018	10.0
741.16272	14.6
741.29926	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	741.261
Annotation	Eleutheroside E
Peak:m/z	Relative Intensity
51.94439	2.4
52.95659	2.4
57.29611	2.7
59.01249	13.7
64.78372	2.6
69.62441	4.2
69.62840	11.6
71.01251	16.5
73.02798	4.1
83.01247	3.3
85.02821	9.1
89.02290	5.7
93.03313	5.7
101.02303	7.4
108.02054	58.6
109.02846	20.7
113.02325	11.4
134.18228	2.5
135.04404	3.1
137.02339	4.7
138.00755	3.4
143.78836	2.8
151.03856	3.6
152.01054	64.5
153.01877	25.3
161.02304	6.5
173.38341	2.8
179.03355	3.6
223.31038	3.4
223.45486	2.7
315.07053	9.7
741.26184	100.0
742.26923	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77420	0.4
57.03337	0.5
58.00472	1.1
59.01254	18.2
61.98704	7.9
65.50677	0.3
67.29197	0.3
69.16565	3.7
69.88847	0.3
71.01257	12.8
72.99195	1.6
73.02846	1.0
75.00764	1.0
79.05413	0.4
81.03342	0.5
83.01254	2.7
85.02821	3.6
87.00777	1.0
88.98683	0.6
89.02322	8.8
93.03331	2.7
95.01260	1.4
95.04952	0.5
96.95897	0.5
99.00790	0.4
99.04384	0.5
101.02332	6.9
102.05480	0.7
106.41441	0.3
107.01214	0.4
107.04911	0.5
108.02056	23.3
109.02913	0.6
111.00751	0.5
113.02330	5.5
117.03371	0.6
119.03402	4.1
119.04938	1.2
121.02876	0.6
123.04412	10.6
124.01569	0.4
124.04765	0.6
125.02325	0.7
128.03432	1.3
131.03403	0.7
133.02858	1.7
133.06441	0.4
134.03661	0.7
135.04424	1.8
137.02338	2.5
138.02626	0.5
139.03975	0.6
143.03424	1.0
145.02870	2.7
151.03874	0.4
152.01065	53.4
153.01373	2.4
161.02341	4.5
161.04480	1.2
161.09561	0.5
161.13266	2.9
163.03964	1.0
167.03415	100.0
168.03760	4.0
177.01830	1.4
179.03439	1.6
179.05559	2.1
187.11206	6.3
193.04956	0.7
204.31339	0.3
205.12314	3.1
211.11073	0.4
229.12299	1.7
231.10263	0.8
247.13449	0.6
249.11317	2.4
253.12318	0.5
271.13177	0.5
273.11374	0.8
291.12268	0.7
303.91516	0.4
307.08316	0.5
315.12344	1.6
329.08829	0.6
333.13309	1.3
341.10849	0.4
393.15579	5.8
394.16028	0.6
411.16360	1.0
425.30566	0.6
433.10489	0.4
441.11746	0.5
444.31863	0.5
457.33176	1.6
471.31210	0.7
474.32883	0.5
475.33972	1.4
489.32257	5.8
490.32455	0.5
501.32214	1.4
517.20801	2.8
518.21118	0.5
518.31604	0.8
519.33221	12.2
520.33337	1.4
535.26013	0.4
551.30750	0.8
561.19763	12.2
562.19977	1.9
573.21942	3.5
574.21997	0.5
579.19891	0.4
613.24164	0.4
623.19531	0.4
740.37213	0.8
741.25836	20.5
741.37012	2.6
742.26215	3.5
742.37933	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	6.4
61.98703	26.9
71.01240	3.4
72.99196	2.2
75.00747	3.3
78.04662	1.5
78.95792	1.9
83.04900	1.9
85.02811	1.8
87.00766	1.5
88.98667	3.6
89.02289	3.5
98.20590	3.6
101.02332	1.8
113.02322	1.7
125.56979	1.6
145.02859	2.1
163.11209	2.2
171.10117	2.2
179.03444	3.8
209.11771	100.0
210.12117	4.3
227.12840	24.2
235.08142	2.2
253.09233	6.0
259.53873	2.0
275.44254	1.6
445.20682	10.2
519.33502	1.9
626.72052	2.2
637.32086	2.1
741.34894	18.1
742.35205	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	741.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	5.5
59.01253	38.2
61.98703	10.9
69.03317	3.5
69.50912	11.1
71.01255	11.9
73.02831	2.3
74.29499	1.9
76.82168	1.5
78.95764	2.9
81.03332	6.5
83.01265	2.1
83.04890	9.3
84.02061	2.0
85.02821	17.8
87.00762	3.7
89.02320	7.1
95.01260	1.8
97.02795	2.3
97.06446	3.8
100.39654	1.7
101.02306	8.6
109.06473	5.0
111.08020	3.0
113.02324	5.6
123.08064	1.6
125.09622	2.6
137.09587	1.5
149.09656	3.0
151.11192	6.2
152.99498	3.0
161.04433	2.2
167.10680	3.5
169.12262	42.6
171.10202	21.8
177.12787	8.3
179.03397	2.3
179.10773	2.2
179.14388	4.1
193.12241	2.4
195.13815	14.4
197.11815	8.7
199.13342	2.7
205.12328	8.4
209.11743	11.5
210.12102	7.7
213.11273	5.4
221.11790	66.0
222.12096	5.4
223.13358	100.0
224.13705	8.4
227.12756	5.9
228.13188	3.7
235.08150	5.8
239.12862	48.2
240.13170	3.1
253.09174	17.8
254.09798	2.0
273.14920	4.3
277.21686	4.8
291.19693	4.6
293.21326	10.4
294.21539	7.9
295.22025	3.8
302.51193	1.8
309.20724	5.2
372.06921	1.8
387.17252	1.8
409.23828	2.0
417.26584	2.2
427.24738	7.2
431.18994	2.2
445.25995	4.7
449.20511	4.8
459.22382	7.6
475.21735	8.1
505.25677	2.5
663.33795	12.1
664.34863	2.2
681.34692	8.0
741.40765	54.2
742.41241	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	741.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.0
61.97437	0.1
61.98703	10.1
65.49573	0.1
67.92992	0.1
69.18194	1.3
71.01257	0.8
71.04887	0.3
72.99183	3.0
73.02834	0.2
73.99506	0.2
75.00747	100.0
76.01077	1.1
85.02820	0.2
85.57995	0.1
89.02323	0.4
101.02329	0.4
113.02333	0.4
117.03354	0.2
119.03381	0.3
135.04491	0.2
137.02386	0.2
145.02838	0.4
150.03072	0.2
163.04018	0.1
179.03398	0.2
193.04985	0.3
194.79245	0.1
285.11337	0.1
378.38156	0.1
437.30862	0.3
439.32422	0.2
457.33060	0.9
471.31216	0.3
475.34247	0.5
483.31030	0.2
489.32776	0.2
501.31708	0.8
503.33652	1.3
504.34296	0.3
518.31586	0.3
519.33167	4.3
520.33405	0.6
561.34290	0.2
585.44659	0.2
679.37042	0.7
772.15997	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36082	0.5
57.03319	2.0
58.00457	2.1
59.01250	52.3
59.69196	0.5
60.01588	0.6
61.98705	7.1
64.30457	0.7
70.91862	1.2
71.01254	28.6
71.04888	2.2
72.99183	4.5
73.02816	3.1
73.98900	0.6
75.00742	1.6
83.01250	2.5
85.02829	6.4
87.00741	2.2
87.04330	0.6
89.02317	31.7
93.03333	1.3
95.01259	1.9
95.04912	0.6
96.52043	0.5
96.95899	5.6
97.02838	0.7
99.00749	1.3
101.02323	16.6
107.04888	0.8
113.02333	13.9
116.92724	0.6
117.03366	0.6
119.03403	13.8
119.04913	2.2
121.02837	1.3
123.04426	2.2
125.02323	0.6
126.59348	0.6
128.03436	0.9
129.01808	0.5
131.03371	1.9
133.02829	2.3
133.27289	0.5
135.04402	2.1
137.02357	2.0
143.03412	4.1
145.02841	2.3
149.02365	0.6
149.04448	1.0
151.03859	0.9
153.05583	0.7
161.02379	6.2
161.04477	5.7
162.02686	1.3
163.03981	0.9
167.03333	0.8
175.03835	0.7
177.01851	0.9
179.03455	1.9
179.05525	19.0
187.11264	1.0
202.86996	0.6
205.12242	0.7
255.03018	0.7
347.17090	0.9
371.26001	1.4
373.28781	1.2
385.27390	1.5
395.29437	0.7
405.26929	1.0
407.29837	1.6
409.31256	1.1
419.29645	1.2
423.29016	1.1
425.30685	8.4
426.30887	1.2
429.17554	1.0
437.30573	2.4
439.32230	6.2
440.32217	0.9
443.31473	1.1
453.30359	0.8
455.31497	1.4
457.33234	18.3
458.33557	2.6
459.30975	0.6
461.20007	1.3
475.34143	3.9
479.21185	2.8
489.32486	1.5
501.32242	10.4
502.32281	1.7
519.33234	100.0
520.33618	14.9
531.20868	1.1
561.34100	2.8
562.34308	1.1
577.19879	0.7
579.19653	2.3
591.22882	1.7
741.31702	11.6
742.32214	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	741.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	2.4
59.01252	12.6
61.98718	5.2
67.46262	0.9
68.37668	0.8
68.65149	0.9
69.03334	1.0
71.01264	5.5
73.02798	1.1
74.89423	1.0
75.00751	1.1
78.95786	1.9
83.04893	2.1
85.02837	2.2
85.22703	0.9
87.00748	1.2
88.98679	2.4
89.02332	3.1
92.19491	0.9
95.04893	1.6
97.02824	1.7
97.06463	5.8
101.02339	5.7
109.06501	1.2
111.08043	4.5
113.02318	2.9
125.09612	2.4
151.11200	14.9
152.99532	2.0
161.04486	1.1
163.11234	1.1
169.12265	75.8
170.12614	3.8
171.10188	3.0
181.12224	1.0
185.11734	1.6
193.12273	0.9
195.10262	2.4
197.11789	18.3
199.13321	2.1
207.10190	1.7
209.11768	8.6
210.12195	2.1
211.13254	2.6
213.11320	9.1
223.13275	1.0
227.12872	4.4
228.13136	1.1
235.08089	1.9
253.09232	5.4
271.86380	1.0
277.21637	2.5
291.19803	5.8
293.21240	2.2
294.21527	2.3
295.22809	4.2
297.20511	1.5
309.20764	8.7
431.19177	2.5
449.20264	5.4
505.25565	3.1
741.40704	100.0
742.40955	24.7
773.84851	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36911	0.8
57.03320	0.7
58.00460	3.1
59.01252	45.1
60.71259	0.8
60.99171	3.6
61.98703	25.2
67.43611	0.7
69.43925	5.6
71.01250	11.3
71.04892	14.7
72.99179	2.2
73.02808	3.1
75.00752	4.3
83.01255	2.0
83.04912	1.0
85.02827	4.8
85.06486	0.8
89.02324	6.4
93.03330	6.4
94.03686	1.4
95.01257	1.4
101.02328	10.9
113.02336	8.7
119.03373	4.2
119.04905	2.0
121.02862	1.0
123.04411	0.7
124.01548	1.2
125.02332	0.8
132.02087	8.6
133.02817	2.6
134.03642	12.4
135.04443	1.8
137.02333	12.1
138.02657	2.6
139.02930	1.2
139.03908	6.5
143.03441	1.1
145.02844	3.2
146.03571	0.9
147.04366	1.0
149.05969	2.6
151.00291	1.2
151.03937	1.7
152.00961	0.8
160.01573	35.2
161.02327	4.8
161.04446	2.4
163.03903	2.9
165.01779	1.2
165.05678	0.8
166.02614	2.9
175.03920	34.3
176.04242	3.3
177.01863	2.0
177.05489	0.8
178.02579	2.5
179.03430	5.3
179.05463	1.2
179.06987	1.4
180.03822	0.9
181.01335	1.3
181.05090	3.8
193.01456	1.0
193.05003	11.0
195.02863	0.9
196.03670	1.7
197.04437	1.6
205.04974	0.9
209.04507	3.3
211.06041	9.7
217.05052	1.0
223.06004	2.1
229.11169	0.8
239.96840	0.8
241.07114	1.3
284.06830	1.1
285.07666	1.4
293.85617	0.8
305.22629	2.2
319.16440	1.2
319.24350	1.0
323.23764	1.7
337.09286	40.1
338.09564	3.0
353.24802	1.1
359.11224	1.1
367.10712	1.2
371.25873	5.3
373.13080	1.2
378.01755	0.8
385.27405	8.7
386.28104	1.5
389.12469	1.7
391.30069	2.1
393.27536	1.8
403.14108	0.9
405.26639	3.3
417.27945	1.8
419.29483	3.0
423.29156	2.4
425.30927	6.1
437.30630	7.1
438.31543	1.0
441.30051	2.2
453.30347	1.6
455.31747	4.8
457.33221	67.3
458.33615	10.0
459.30981	1.3
471.31317	5.0
473.32559	5.5
474.33231	1.2
475.34283	12.0
476.34378	1.4
489.32214	43.1
490.32486	4.8
501.32236	9.0
502.32278	1.6
518.31720	1.0
519.33228	100.0
520.33569	18.1
533.35095	5.8
561.34314	27.1
562.34613	4.2
591.35590	1.2
679.29529	1.3
741.23273	14.5
742.23511	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	741.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	3.3
59.01254	11.6
60.19212	1.0
60.99149	1.1
61.98702	5.5
70.67483	2.0
71.01255	8.5
72.99162	1.1
73.02812	1.7
78.95760	3.1
83.01250	1.6
83.04896	2.2
85.02813	2.1
87.00740	1.7
88.98686	4.6
89.02309	3.9
95.04945	1.0
97.02812	1.7
97.06480	5.7
99.00751	1.2
99.68436	0.9
101.02309	5.5
110.57579	0.9
111.08030	3.3
113.02311	2.9
119.03352	1.9
125.09590	1.3
133.04974	1.0
151.11191	19.1
152.99466	1.5
161.04445	1.7
165.12654	1.3
169.12257	75.3
170.12556	4.3
171.10130	3.4
179.03426	1.1
195.10153	1.7
197.11757	17.1
209.11708	5.6
210.12111	2.6
211.13300	3.0
213.11278	12.2
227.12811	3.5
228.13124	2.0
235.08180	1.7
253.09189	4.2
277.21729	3.0
291.19626	8.0
293.21234	1.5
294.21521	2.8
295.22614	2.7
309.20740	6.9
382.12094	1.0
431.19165	1.1
449.20151	5.5
505.25586	2.2
510.31851	1.0
741.40613	100.0
742.40973	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	741.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.6
58.00475	0.8
59.01253	24.6
60.99178	0.8
61.98702	8.4
71.01235	5.4
71.04895	12.0
72.99174	1.2
73.02829	0.9
75.00746	30.1
85.02834	1.9
88.98689	1.1
89.02319	3.9
95.01282	0.8
95.04952	0.4
97.06491	0.4
101.02327	4.3
113.02331	2.9
117.03351	0.6
119.03382	2.6
119.04903	0.6
123.04420	0.4
124.91887	0.4
133.02866	0.4
137.02261	0.5
145.02867	3.1
152.01065	0.5
160.01573	0.5
161.02376	0.9
161.04449	0.6
163.03853	0.4
177.01878	0.6
179.05518	1.3
234.93112	0.4
271.46719	0.4
289.19589	0.5
305.22739	1.0
307.08188	0.7
323.23840	1.3
353.24661	0.5
371.25873	1.6
372.26306	0.5
375.26682	0.5
385.27640	3.6
391.29990	1.9
392.30081	0.5
393.27875	0.8
395.29443	0.6
396.30255	0.4
405.27231	1.4
407.29614	1.1
409.31091	1.3
410.31580	0.5
417.27875	1.3
419.29568	1.4
423.29141	1.9
425.30676	5.6
426.31204	0.7
427.32050	0.5
433.27542	0.9
435.29105	0.6
437.30621	6.2
438.31134	1.1
439.31854	0.9
441.11935	0.7
441.30078	0.9
451.28247	0.5
455.31757	0.8
457.33231	100.0
458.33575	16.7
459.31238	2.3
471.31058	1.7
473.32474	0.5
475.34131	1.2
489.32172	7.8
490.32532	1.3
501.32370	4.7
502.32227	1.3
503.33820	0.6
519.33264	32.3
520.33575	6.6
533.34686	1.1
561.34174	4.9
562.34717	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71448	0.5
57.03318	0.8
58.00468	1.2
59.01250	39.0
61.98706	4.3
69.03331	0.5
71.01256	13.6
71.04902	1.1
71.52927	0.6
71.53300	0.6
72.99177	1.5
73.02822	1.0
75.00744	1.3
75.09091	0.5
83.01272	1.0
85.02824	3.3
87.00746	1.7
88.98713	0.5
89.02313	15.1
93.03330	0.5
95.01270	1.3
99.00742	1.4
101.02322	9.1
108.02068	0.6
113.02325	6.4
115.11285	0.5
116.92751	3.5
119.03398	6.8
119.04859	0.8
121.02821	0.5
122.11490	0.5
123.00787	0.6
131.03381	1.0
135.04393	1.4
136.01559	0.5
137.02354	0.9
143.03395	1.6
145.02856	1.0
149.04425	0.6
150.03098	1.0
151.00406	0.6
151.03857	1.2
159.75510	0.5
161.02338	1.3
161.04462	2.6
163.03944	0.6
165.05492	1.2
167.03471	0.5
179.03302	0.7
179.04002	0.7
179.05533	7.6
181.05034	1.0
195.06468	1.1
370.11615	0.5
411.29108	0.8
425.30707	0.9
434.38873	0.6
443.31631	2.7
471.24402	1.1
471.31161	20.5
472.31409	3.6
479.21295	3.2
485.32663	0.6
501.32568	3.3
502.32150	0.8
519.33264	100.0
520.33691	15.6
561.34601	4.2
562.33978	0.5
681.38220	1.4
741.27301	0.7
741.40881	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.9
58.00466	0.7
59.01252	35.6
61.98705	11.8
71.01253	17.2
71.04890	7.4
71.52518	0.9
72.99179	1.7
73.02834	2.6
79.91324	0.6
83.01252	1.2
85.02831	4.3
87.00751	1.9
88.98722	0.6
89.02316	19.1
91.64415	0.6
95.01270	2.1
96.95877	1.1
101.02320	10.6
111.00761	0.7
113.02338	7.5
119.03393	8.8
119.04879	2.0
123.04404	1.1
131.03398	1.2
133.02846	2.2
134.03674	1.3
135.04410	2.4
137.02409	1.2
143.03378	2.3
145.02861	1.1
149.02376	1.0
149.04361	0.6
161.02412	4.2
161.04431	3.2
162.02689	0.5
163.03909	1.2
165.01888	0.6
167.03369	0.7
175.03926	0.8
177.01863	1.5
179.03427	1.9
179.05528	10.5
193.05000	1.6
252.53325	0.6
303.21469	0.7
319.24323	1.7
363.23303	0.8
369.69672	0.6
371.25937	0.7
385.27527	6.9
386.27887	1.5
405.26501	4.0
407.29459	1.1
425.30701	3.4
431.25891	0.6
437.30573	1.5
439.32184	3.5
440.32571	0.6
451.69196	0.6
455.32120	0.8
457.33176	8.7
458.33817	1.2
473.32785	1.4
474.33063	0.9
475.34073	2.4
483.31168	1.1
489.32330	1.5
501.32120	8.0
502.32645	0.6
519.33252	100.0
520.33594	18.7
520.41302	0.9
561.34216	2.5
562.34454	0.7
591.23224	0.7
649.45068	0.7
741.41510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.8
58.00459	0.6
59.01253	35.5
60.01582	0.8
60.99170	1.1
61.98703	15.9
62.16548	0.5
69.18890	4.1
69.19295	1.3
70.38474	0.5
71.00854	0.7
71.01254	12.5
71.04894	14.1
72.99184	2.0
73.02827	1.9
73.90520	0.6
75.00723	3.1
76.53355	0.7
81.03339	0.7
83.01269	1.2
85.02823	5.2
87.00774	1.0
88.98647	0.8
89.02319	6.6
93.03332	8.7
95.01257	1.8
96.95914	1.0
97.06461	1.1
99.00771	1.7
99.04391	0.9
101.02335	7.3
102.05494	4.7
103.05824	0.7
107.04939	0.7
108.02065	2.5
113.02336	6.5
117.03348	2.4
119.03386	4.2
119.04901	3.3
121.02829	1.4
122.03558	0.7
123.04420	2.1
125.02349	1.0
128.03426	10.7
129.03799	1.2
131.04880	0.7
133.02856	2.8
135.04442	3.0
137.02341	6.6
143.03383	1.0
145.02858	11.1
146.03261	1.3
146.04495	2.8
147.04744	0.6
150.03191	0.8
151.03911	1.6
152.01068	3.3
160.01546	0.7
161.02347	5.3
161.04449	2.1
161.05844	0.7
163.03960	2.9
163.76170	0.7
167.03389	5.7
168.03847	0.6
175.03958	1.7
177.01842	1.3
179.03487	3.2
179.05490	1.3
193.04996	1.9
215.91324	0.6
283.07324	0.7
287.22302	1.3
288.22528	1.0
289.19727	1.2
305.22775	2.7
307.08292	1.4
311.10239	0.8
319.24146	1.3
336.53180	0.7
337.08279	0.7
361.11115	1.0
375.27145	0.7
385.27368	1.1
387.26886	0.9
391.30081	5.1
405.28067	3.0
407.29483	1.0
409.31219	1.1
411.29547	0.7
417.27808	0.9
419.29501	1.7
423.29031	5.4
425.30539	3.5
432.26566	1.4
437.30414	3.3
439.32358	1.4
440.32196	0.9
441.12073	2.8
441.30148	0.9
449.27460	1.7
450.27844	3.3
457.33228	100.0
458.33530	15.1
459.12845	1.1
459.31009	3.5
472.86569	0.7
475.34195	1.3
489.32230	6.2
490.32443	0.9
501.32233	11.7
502.32608	1.4
519.33252	49.2
520.33624	10.0
533.34711	1.9
547.16473	1.1
561.34235	3.5
591.22644	0.8
603.17310	1.0
611.32373	1.1
612.33276	2.3
681.38342	0.9
723.36627	1.1
741.25092	3.6
741.37512	25.5
742.25671	1.3
742.27942	0.9
742.37604	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	741.43
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.2
59.01249	32.0
61.98701	13.5
68.40345	1.3
71.01252	27.4
72.99199	3.5
73.02814	3.7
78.95776	71.1
83.01258	4.0
83.97754	1.3
85.02818	5.1
87.00744	5.7
89.02312	22.1
90.56535	1.4
95.01276	1.7
96.96821	7.4
97.02803	4.0
101.02321	20.5
113.02335	9.8
117.05076	1.3
119.03377	6.7
125.02306	9.8
125.09634	7.0
135.04414	2.3
143.03398	3.6
152.75659	1.6
152.99496	38.2
161.04465	4.2
171.10138	2.5
179.05501	4.1
187.09676	5.5
195.13843	4.0
197.11771	5.8
209.11758	6.1
211.13358	2.0
221.06450	1.6
225.11197	1.5
235.08141	10.4
241.01170	5.4
253.09193	2.3
255.23241	5.4
277.21820	7.6
283.26413	78.6
284.26697	4.9
287.07620	1.9
293.21091	6.6
295.22791	12.2
305.08719	5.5
309.20682	4.2
311.22229	4.6
397.13483	100.0
398.13745	7.8
415.14548	30.1
429.20407	4.6
431.21924	8.8
445.19989	8.1
447.21567	9.0
463.21017	2.6
505.25742	5.4
681.40631	3.4
691.43701	4.6
741.43872	33.7
742.44147	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	741.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.5
59.01255	5.2
61.98705	35.6
71.01257	3.6
73.02832	0.5
78.32744	0.4
78.95786	1.1
78.97393	0.5
80.02535	1.0
81.03320	0.8
83.04884	3.5
84.02010	0.5
85.02793	1.0
87.00739	0.7
89.02303	2.2
95.04906	0.5
97.06458	0.5
98.19819	1.4
99.00739	0.5
101.02332	2.6
113.02350	2.1
113.02990	0.5
113.09588	1.3
135.08028	0.6
152.99487	1.2
161.04425	1.6
163.11160	2.9
165.12747	1.7
171.10185	0.8
179.14275	0.8
181.12254	0.6
184.30431	0.4
191.10745	0.9
195.13841	13.4
196.14169	1.1
199.13332	1.3
200.13696	0.7
209.11768	83.6
210.12137	6.9
211.13315	0.9
212.11816	0.4
212.13641	0.9
227.10541	0.6
227.12822	12.4
228.13223	1.3
229.13422	0.5
229.31091	0.5
235.08163	1.7
253.09256	16.7
254.09639	0.8
277.21729	14.6
278.21979	1.2
291.19632	0.5
293.21249	2.0
294.21591	2.3
295.22778	100.0
296.23145	10.6
445.20377	0.5
451.50128	0.4
463.21982	0.6
487.34103	0.9
505.25885	1.2
505.35306	0.5
531.31769	1.0
741.41840	2.2
768.87170	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65089	0.4
59.01256	3.4
70.53159	1.2
78.95773	34.7
79.68333	0.4
82.89543	0.4
87.36192	0.4
91.35455	0.4
96.96840	2.9
109.06403	0.5
110.98428	0.5
114.07233	0.5
141.01567	0.8
152.99481	49.8
153.99889	0.8
154.34743	0.4
171.00591	4.1
197.11842	0.4
209.02206	0.6
209.11760	0.5
211.13376	0.6
217.00240	0.7
219.28387	0.4
223.13307	0.5
227.03233	5.8
232.97412	1.0
233.22762	0.9
243.03148	0.5
245.04294	1.7
253.21695	32.7
254.22003	2.2
255.23225	1.4
259.20679	0.5
275.20059	0.6
277.21707	94.3
278.22052	9.5
279.23129	0.6
280.23737	0.5
281.24719	0.6
283.26617	0.5
289.18237	0.4
291.19403	0.4
293.21240	1.4
295.22711	0.5
326.68451	0.4
413.20972	2.3
447.21451	0.5
463.24695	0.6
483.27271	0.6
487.24728	1.3
505.25717	100.0
506.26028	14.4
506.31931	0.4
552.23065	0.5
741.47150	26.9
742.47491	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	742.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92412	0.2
59.01252	3.9
61.26581	0.2
61.98703	100.0
62.98415	0.2
71.01254	1.6
71.04901	0.4
72.99196	0.4
73.02825	0.3
75.00744	2.3
82.82917	0.2
85.02805	0.8
87.00760	0.2
88.98682	0.2
89.02326	1.3
93.03374	0.3
95.01294	0.3
96.53915	0.2
98.19786	0.4
99.00764	0.2
101.02332	1.2
113.02318	1.1
117.03355	2.5
119.03439	0.7
119.04921	1.9
121.02859	0.3
133.02876	0.2
134.03619	0.2
135.04504	0.3
136.01547	0.2
137.02345	1.3
145.02856	12.6
146.03210	0.7
152.70828	0.2
160.01607	0.2
161.02367	0.5
161.04630	0.4
161.06017	0.5
163.03915	3.9
164.04298	0.3
167.20757	0.2
168.89915	0.2
173.72992	0.2
175.03922	0.3
177.05486	0.2
179.03430	0.3
179.05565	0.5
184.67201	0.2
198.27596	0.2
205.04977	0.9
225.11203	0.3
235.06186	0.2
258.18097	0.2
265.07257	0.6
266.07532	0.2
272.62943	0.2
298.16376	0.2
376.26755	0.2
395.29660	0.4
403.14117	0.3
404.14615	0.2
411.29062	0.3
413.30701	0.7
425.30734	0.3
427.32401	0.7
428.32544	0.7
429.33716	0.7
441.34042	0.3
447.34952	0.3
457.28961	0.3
458.33612	0.5
471.31317	0.4
472.31577	0.2
473.32825	1.1
476.34833	0.5
484.12192	0.2
485.32864	0.3
490.23706	0.3
491.33997	0.2
499.23398	0.3
503.33606	0.3
517.32184	0.2
519.33221	2.5
520.33563	4.3
521.34747	1.3
561.34497	0.2
562.34857	0.2
563.35516	0.2
679.29700	18.2
680.29999	3.4
680.40875	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76455	0.1
59.01254	2.6
61.98704	100.0
62.98399	0.1
70.38719	0.4
71.01250	1.5
72.99197	0.3
73.02823	0.2
75.00748	8.3
76.01074	0.3
83.01247	0.1
85.02842	0.4
88.98686	0.2
89.02309	1.0
101.02319	0.9
104.63387	0.1
113.02315	0.7
116.92796	0.1
119.03397	0.4
138.01851	0.2
145.02840	0.1
149.87840	0.1
160.01576	0.2
165.05457	0.1
175.03970	0.2
179.05573	0.4
209.11801	0.2
230.09364	0.2
336.12054	0.1
355.51166	0.1
407.10602	0.1
425.30569	0.2
427.32324	0.2
437.30707	0.3
439.32614	0.4
440.32626	0.2
455.31885	0.6
456.32150	0.2
457.33307	0.6
458.33682	0.6
459.34598	1.1
471.31284	0.2
473.32419	0.2
476.34753	0.2
491.34113	0.2
498.13641	0.1
499.30661	0.2
503.34210	0.5
517.31641	1.1
519.33344	0.4
520.33423	0.9
521.34766	2.7
547.25659	0.2
563.30078	0.7
679.36981	7.9
680.37231	1.5
680.47729	0.2
743.37396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.6
61.98705	100.0
62.98396	0.2
69.18161	1.2
71.01283	0.3
75.00744	2.4
76.01122	0.1
98.20595	0.3
107.29136	0.1
113.55713	0.1
144.01627	0.1
153.34830	0.1
437.30930	0.4
455.31671	0.2
499.31158	0.2
517.31812	1.3
518.32019	0.2
520.33905	0.3
679.36969	7.8
680.37421	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	743.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23331	0.4
59.01245	0.7
60.99176	17.2
61.65904	0.4
61.98702	23.8
71.52562	0.4
78.95770	0.7
87.00758	1.5
88.00275	2.8
88.98677	100.0
89.02313	10.9
89.99033	1.3
101.02348	0.5
116.19886	0.4
152.99599	0.4
161.02351	0.4
171.10175	0.8
189.94678	0.4
197.11734	0.3
255.23300	0.5
278.22000	0.4
293.21204	0.6
329.17947	0.4
397.14041	0.7
434.64957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.1
59.37205	0.2
61.98704	100.0
62.97143	0.3
71.01270	0.5
71.52312	0.4
72.20567	0.2
80.54685	0.2
85.02825	0.4
86.55048	0.2
101.02361	0.3
113.02335	0.3
118.95550	0.2
133.02863	0.4
135.04442	1.0
161.02390	1.3
169.12286	0.8
170.12598	0.3
171.10156	1.9
172.10625	0.6
179.03409	1.1
211.13406	0.3
223.13411	0.3
225.09259	0.2
235.08186	0.3
291.19769	0.5
293.21277	0.3
327.21884	0.4
628.27222	0.2
738.88654	0.2
743.41711	0.3
744.42413	2.5
750.52063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92670	0.2
59.01233	0.2
61.98701	100.0
71.01273	0.4
74.45516	0.2
78.95779	1.4
80.16888	0.2
101.31412	0.2
113.14610	0.2
125.09590	0.3
152.99490	0.6
171.41812	0.3
398.14056	0.3
399.13947	0.6
744.45721	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.0
57.03334	1.7
58.00460	3.7
58.28953	1.2
59.01249	83.9
61.98703	33.4
71.01254	63.2
71.52980	2.1
72.01577	2.1
72.99187	6.9
73.02822	4.7
78.95760	1.2
83.01237	2.8
85.02819	12.7
87.00736	4.9
89.02317	72.0
90.02657	1.4
93.03333	8.6
95.01266	6.3
95.04845	1.2
99.00754	10.8
101.02321	33.6
102.02656	1.8
108.02042	2.3
109.02817	2.1
111.00718	1.9
113.02332	26.2
117.03363	2.0
119.03396	32.5
119.04854	1.6
119.94682	1.6
121.02855	30.0
122.03641	16.3
123.04398	2.3
124.01579	2.3
125.02383	1.6
131.03381	5.5
133.02835	3.3
134.03592	2.9
135.04419	8.8
136.01549	16.5
137.02359	8.9
143.03381	5.1
145.02826	5.2
146.03140	1.4
149.02335	33.7
149.04408	3.4
150.03131	100.0
151.00241	3.8
151.03925	18.1
152.01016	1.6
153.01668	1.3
153.05420	2.4
160.01523	1.5
160.05214	1.9
161.02275	4.3
161.04460	4.9
161.05717	1.5
163.03891	3.4
164.04660	4.1
165.05479	94.0
166.02631	11.9
166.05788	4.6
167.03351	4.0
172.05081	1.3
175.03841	4.0
177.01793	1.6
177.05357	1.7
179.03493	3.6
179.05502	10.2
179.06894	2.0
180.04207	6.5
181.04984	16.1
189.05476	3.9
190.06247	5.1
191.05360	1.9
195.06552	60.9
196.06949	3.3
205.04970	1.8
283.09906	2.1
296.06812	2.3
308.06967	2.3
311.09113	2.8
315.08887	2.3
323.09155	4.1
324.06369	1.6
324.09918	2.6
329.10287	2.2
339.08694	10.6
340.08850	1.4
354.10983	7.5
355.11798	1.5
357.09863	2.8
357.13422	7.0
369.13428	26.2
370.13574	2.9
372.12009	2.9
387.09537	2.2
387.14481	38.1
388.14725	4.4
449.27362	3.1
459.18832	1.8
461.20230	7.3
462.20633	1.4
477.19806	16.9
478.19952	2.9
479.21280	8.0
505.18585	2.7
519.20673	1.7
535.19739	47.0
536.19824	9.1
553.20880	1.6
565.20172	1.9
583.21790	26.9
584.22412	4.2
611.73120	1.4
623.25134	1.8
648.17224	3.7
682.31635	2.9
701.21210	1.4
745.25238	1.9
745.33514	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	745.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.5
57.03324	1.3
58.00466	4.9
58.25556	0.6
59.01251	100.0
60.01565	0.7
61.47694	0.5
61.98704	12.6
64.95254	0.5
65.88869	0.5
71.01254	84.5
72.01581	1.5
72.99186	8.8
73.02808	2.5
75.00735	1.2
79.10896	0.5
81.03342	0.6
81.85986	0.5
83.01252	2.9
84.02028	0.6
85.02826	13.6
87.00750	3.8
88.98683	0.8
89.02317	91.3
90.02646	1.6
93.03339	3.5
95.01273	5.5
96.71861	0.5
97.02817	0.7
99.00748	3.6
99.04337	0.8
101.02324	50.1
102.02648	0.8
108.02056	2.3
109.02848	0.9
113.02336	32.0
114.02634	0.9
117.03349	0.7
119.03392	40.8
119.04815	1.8
120.03756	0.8
121.02863	5.8
121.10060	0.6
122.03624	7.1
123.04423	3.1
124.01511	0.6
125.02324	1.7
131.03397	4.2
133.02821	2.2
135.04388	1.7
136.01527	1.5
137.02376	3.3
139.00305	0.6
143.03409	7.1
145.02802	1.8
149.01253	1.0
149.02356	12.3
149.04405	4.4
150.03136	35.4
151.03702	2.4
152.01016	1.5
153.01796	1.7
160.01476	1.4
161.02420	3.0
161.04457	6.4
162.02959	0.6
163.03893	1.3
163.05164	0.6
164.04590	2.3
165.01781	0.9
165.05479	31.9
165.09045	1.6
166.05777	1.5
167.03348	0.9
177.05450	0.6
179.03450	1.1
179.05530	13.5
179.06972	0.6
180.04106	2.4
180.05667	0.8
181.04929	0.6
195.06564	22.0
196.06786	1.0
240.07677	0.6
243.06693	0.7
244.07121	0.5
250.06166	0.5
268.07159	1.9
280.07199	1.1
283.09595	1.6
296.06671	2.3
308.06702	2.3
309.07431	1.9
311.09354	2.7
315.07001	1.3
321.07620	0.7
322.08237	1.0
323.09283	4.7
324.06119	1.8
324.09702	1.6
338.11450	1.3
339.08728	15.6
340.08847	2.3
354.11102	4.7
355.11438	0.8
357.11664	1.4
369.13409	30.8
370.13687	4.4
449.26913	0.8
453.52414	0.6
459.18335	1.5
477.19373	1.6
517.18689	10.2
518.18433	1.8
523.21747	0.7
535.19507	0.6
565.26697	0.9
583.20587	0.7
672.55396	0.7
745.25238	3.2
746.27301	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.4
56.44908	1.3
58.00468	2.8
59.01251	57.5
60.01566	1.3
61.98703	54.0
70.81059	3.0
71.01253	47.8
72.01585	1.2
72.99168	6.2
73.02808	3.8
78.95775	3.2
83.01263	2.5
85.02827	11.5
87.00766	3.5
88.98658	3.7
89.02320	55.1
93.03334	18.0
95.01257	4.1
96.95888	2.9
99.00758	4.4
101.02324	27.1
107.04890	2.7
108.02053	1.9
109.02801	3.8
113.01613	2.1
113.02333	19.8
117.03331	2.9
119.03394	24.4
119.04868	3.5
121.02837	12.4
122.03639	14.9
123.00762	2.3
123.04385	3.9
124.01595	2.9
125.02314	2.6
131.03426	1.8
132.02048	2.0
133.02859	7.7
134.03598	2.9
135.04405	13.0
136.01558	17.0
137.02359	18.6
143.03383	4.7
145.02831	9.4
146.03305	1.4
149.02362	24.8
149.04419	2.0
149.05865	1.4
150.03140	100.0
151.00288	5.2
151.03926	20.7
152.01048	2.5
152.04558	1.8
153.01830	2.4
153.05484	1.2
154.02644	1.5
160.01555	2.1
161.02368	12.9
161.04436	4.7
162.03004	2.0
163.03914	4.9
164.04703	7.1
165.05493	89.8
166.02646	11.0
166.05843	5.5
167.03366	4.2
175.03914	7.0
175.28831	1.4
177.01770	3.1
177.05479	3.6
179.03435	8.5
179.05569	8.1
179.06932	2.2
180.04253	6.3
181.04985	15.8
189.05492	2.3
190.02586	1.5
190.06305	4.4
193.05063	2.3
195.06567	60.5
196.06880	3.7
205.04944	1.5
225.53767	1.2
307.08038	2.3
311.09192	1.8
339.08600	8.2
354.11084	2.5
356.12534	1.8
357.09644	3.2
357.13391	7.5
369.13437	17.2
370.13538	2.5
372.12073	2.6
386.13843	1.5
387.14505	39.9
388.14862	3.7
445.20706	1.8
463.21548	2.0
479.21158	1.9
505.18811	3.1
535.19720	49.3
536.20013	11.6
553.20679	2.7
565.19995	1.9
565.27277	1.8
583.21735	30.2
584.22211	7.1
628.61957	1.5
682.30890	3.6
727.22418	1.8
745.34747	7.3
746.26422	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	745.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.7
61.98698	3.8
69.03330	0.4
70.89803	0.5
71.01257	4.0
72.99205	0.4
73.02801	0.5
75.00747	0.8
84.02077	0.4
85.02846	1.8
88.98677	0.9
89.02327	0.8
93.03345	0.7
95.01295	0.7
96.95880	0.9
97.06439	0.3
98.27956	0.3
99.00780	0.5
101.02306	1.7
105.03299	0.3
108.01998	0.4
109.02849	1.0
113.02324	2.3
119.03350	0.4
121.02843	3.9
122.03617	2.0
123.00776	1.7
123.04417	0.7
124.01616	0.4
125.02357	1.0
133.02870	0.9
134.03694	0.4
135.04404	0.8
136.01558	30.4
137.02382	4.7
139.03882	0.4
143.03331	0.3
145.02844	0.4
149.02350	0.7
149.05913	0.4
150.03101	0.3
151.00279	15.6
151.03911	40.3
152.00900	1.0
152.04240	1.7
153.01860	0.4
154.02611	0.4
159.04411	0.5
160.05180	0.6
161.02336	1.4
161.04462	2.0
161.05653	0.3
162.03191	0.6
163.03889	0.9
164.04726	0.3
165.01772	0.4
166.02626	45.1
167.03085	2.7
171.10173	0.3
174.03203	0.3
175.03902	1.2
175.07541	0.9
177.01839	2.1
177.05525	0.6
179.03438	1.2
179.07011	0.3
181.04982	47.0
182.05350	2.0
183.13840	2.8
184.03706	0.3
187.03972	0.4
189.05415	0.3
190.06303	0.4
191.03374	0.6
192.04155	0.6
193.04900	0.6
195.02931	0.4
195.13826	2.7
205.04918	0.5
205.08656	0.6
207.06566	0.7
209.11736	1.5
211.13304	0.5
213.14897	32.8
214.15305	2.0
219.06554	0.4
219.13847	0.6
223.13429	0.4
227.16493	1.0
237.14912	1.0
249.15013	0.4
299.09360	0.3
309.17188	0.6
311.09433	0.3
329.10220	1.5
341.14014	0.5
357.09766	8.4
358.10150	1.0
372.12106	8.0
373.12326	0.8
387.14478	100.0
388.14798	12.5
745.23895	0.6
745.37854	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01427	0.6
55.01741	2.7
57.03336	3.3
58.00446	2.8
59.01250	43.4
61.98701	14.9
62.04488	0.7
64.25174	0.7
69.03298	1.0
69.18744	6.4
71.01254	40.5
72.01579	0.9
72.99160	3.2
73.02823	9.1
75.00737	1.0
78.95757	1.1
81.03304	0.7
83.01251	6.0
84.01984	0.6
85.02821	18.0
85.99923	0.8
87.00735	1.6
89.02316	15.7
93.03323	1.5
95.01289	3.7
97.02827	0.9
99.00752	4.2
101.02325	28.0
108.02009	1.0
109.02802	0.9
111.00707	1.1
112.74210	0.6
113.02336	17.9
114.40270	0.7
119.03373	3.5
121.02888	0.8
125.02325	2.0
129.06978	0.7
131.03410	0.9
133.02823	2.2
135.04358	2.3
136.01581	1.5
137.02303	4.8
143.03362	1.5
149.02260	0.9
150.03131	1.7
151.00226	1.0
151.03891	2.4
152.00890	0.8
161.02385	4.0
161.04413	3.8
163.03877	1.1
165.01837	2.9
165.05450	2.5
167.03365	0.8
177.01788	0.7
179.03453	4.0
179.04854	0.8
180.04123	2.2
195.06590	5.5
213.94110	0.7
225.07628	2.5
357.13324	1.2
359.24442	1.3
403.23346	4.0
521.29999	1.4
534.90576	0.9
535.19141	1.8
547.27325	1.3
565.28656	100.0
566.28992	15.9
583.21094	1.2
726.25616	0.8
745.35095	73.5
746.35474	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	747.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	82.0
60.99157	5.4
61.98692	13.2
71.01278	8.1
71.40940	6.3
74.58183	4.1
78.95784	7.0
84.57438	3.6
85.02836	3.9
87.00748	6.2
88.98678	34.9
89.02312	10.3
113.02306	8.1
118.58227	4.0
133.02873	19.4
135.04393	11.2
140.49615	3.4
145.20023	4.0
151.50452	3.8
158.74268	4.2
161.02368	44.3
179.03413	11.3
202.06282	5.5
211.37695	3.6
281.24774	7.0
283.13367	4.5
397.13318	5.6
407.15118	10.7
407.64975	4.5
416.15894	10.7
495.16821	13.8
497.21921	5.8
499.16086	7.1
523.16138	16.5
524.16547	6.3
526.14825	17.9
527.15314	3.8
541.21375	7.3
552.28485	3.9
569.16840	17.5
570.14471	6.7
571.18817	5.8
586.17426	4.2
596.19080	40.4
597.19940	45.2
598.19550	10.5
599.21167	13.2
601.23206	60.3
602.23431	17.6
612.18512	58.6
613.19000	15.5
614.19934	16.1
615.21979	9.5
627.20673	10.3
628.19019	13.0
631.23846	20.7
632.22406	8.7
655.20392	66.7
656.20770	17.0
657.21918	13.7
658.22516	7.4
672.20660	100.0
673.21252	31.0
687.23029	31.5
715.47437	4.8
747.24725	12.1
747.36450	24.1
747.85504	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	747.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
63.26906	1.2
66.02479	1.1
67.84777	1.1
69.49363	2.5
69.49764	5.4
89.39129	1.0
93.24032	1.1
94.05435	1.0
98.20592	1.2
113.02219	1.2
145.27562	1.3
192.97215	1.2
203.15808	1.1
211.28004	1.1
369.60272	1.1
455.17514	3.2
468.13577	1.5
469.11349	2.1
473.18445	4.6
483.13373	1.5
496.14053	2.8
512.13281	9.7
513.13647	2.3
526.14813	12.4
527.15625	2.9
569.16986	1.6
591.62439	1.3
601.19495	5.6
614.20172	77.8
615.20367	20.4
632.17749	1.9
646.19086	7.6
647.19928	1.4
687.22784	5.2
688.23285	1.5
745.40356	1.3
747.25146	53.5
748.25305	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	749.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37166	0.6
57.65656	0.6
58.86245	0.6
59.01247	6.5
61.98694	4.0
64.31610	0.5
70.91978	1.3
71.01252	8.9
72.99212	0.7
73.02829	1.8
80.96396	2.4
81.03291	0.6
85.02808	5.7
87.00751	0.7
88.98676	1.2
89.02332	2.4
93.03363	1.3
95.01284	2.5
96.95922	0.6
97.02791	0.7
99.00783	0.6
99.35742	0.5
101.02345	2.2
105.03357	1.0
107.04944	1.0
108.02110	0.7
109.02843	1.2
111.00784	0.9
113.02335	9.0
113.03075	0.9
117.03392	1.5
119.03420	0.7
119.04910	1.1
121.02902	1.1
123.04410	3.3
125.02312	0.6
127.61619	0.6
132.02090	3.1
133.02858	40.9
134.03648	2.8
135.04427	57.4
136.04764	2.5
136.60234	0.6
137.02351	2.5
139.03932	2.1
145.02846	0.7
146.03641	1.1
149.02396	2.8
149.06033	0.6
150.03149	9.6
151.03909	4.3
159.04453	0.8
161.02362	100.0
162.02711	5.3
163.03981	0.9
163.07547	1.6
165.05522	1.4
170.45236	0.5
172.05251	2.1
173.05997	1.8
174.03136	8.5
174.06512	0.6
175.03833	2.7
175.07556	1.9
177.05505	0.7
179.03430	88.1
180.03735	4.4
183.04454	0.8
186.62952	0.6
187.03957	2.1
187.07584	8.0
188.07928	0.7
189.05521	3.1
190.06296	0.8
191.07007	1.2
195.06679	0.8
199.03993	0.9
200.04732	5.1
201.05443	1.5
201.09135	1.2
202.06273	3.4
203.03406	1.2
203.07080	13.3
204.07469	1.5
211.07603	0.8
213.09225	1.4
214.06384	0.7
215.07103	4.1
217.05106	1.8
218.05780	1.2
225.00835	0.8
227.03435	1.1
228.04256	0.9
229.08630	7.9
230.09145	0.7
231.06546	5.8
231.10307	1.7
233.04492	1.3
246.08931	3.3
247.09718	7.9
251.05618	2.3
257.08154	4.9
275.09268	2.6
305.06635	0.9
313.10764	0.6
323.07623	1.1
325.09189	1.6
403.10406	1.4
405.25320	0.6
469.13574	1.6
487.14410	7.4
503.33823	2.2
554.51862	0.7
555.20898	5.2
556.21411	1.0
583.20697	0.9
587.23047	1.0
652.20679	0.6
673.21289	3.0
699.22827	0.8
701.27576	0.8
705.23657	1.3
717.23981	33.4
718.24353	6.1
749.25641	11.3
750.26251	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	749.265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89686	0.2
57.03317	0.4
58.00475	0.2
59.01248	1.9
61.98693	1.1
65.00227	0.2
68.02253	0.1
69.00867	0.1
69.03315	0.2
69.21090	0.9
69.21511	0.5
70.47236	0.1
71.01254	3.0
72.99196	0.4
73.02818	0.4
74.90757	0.1
76.69085	0.2
77.03797	0.2
82.95293	0.2
83.01256	0.3
83.02383	2.1
85.02824	4.3
87.00751	0.3
89.02317	0.7
91.01780	0.1
93.03349	0.5
95.01261	1.4
95.04901	0.3
97.02834	0.2
98.19821	0.3
99.00792	0.3
101.02335	0.4
105.03329	0.4
106.04091	0.2
107.04924	0.5
109.02847	1.2
111.00780	0.5
113.02332	5.3
114.02694	0.2
117.03365	0.7
121.02849	2.8
123.04408	0.7
132.02069	1.0
133.02850	15.4
134.03671	4.6
135.04413	49.4
136.04738	2.0
137.02350	2.1
138.03084	0.2
139.03914	0.6
143.03409	0.4
143.90935	0.2
146.03700	0.2
149.01218	0.3
149.02347	3.9
149.05989	0.3
150.03137	1.4
151.03851	0.2
159.04424	0.2
160.01576	0.5
161.02350	39.4
162.02676	2.1
163.00285	0.6
164.04738	0.2
165.01840	0.3
165.05513	0.2
173.06020	0.3
175.03937	0.6
177.01836	0.7
177.05505	0.8
178.02626	3.2
178.67812	0.2
179.03416	100.0
180.03761	4.7
181.04971	0.4
187.03940	0.3
187.07588	0.3
189.05498	0.4
190.99748	0.7
191.03439	0.2
192.00551	0.6
193.01326	0.4
193.04970	2.3
195.02888	0.3
200.04713	0.3
201.05482	0.4
202.06267	0.6
203.03418	1.8
203.07050	0.4
217.04921	0.2
221.04398	0.3
229.08730	0.3
233.04532	0.5
245.04535	0.7
247.09590	0.2
251.05571	0.7
305.06805	0.3
323.07681	0.7
325.09250	1.0
382.93167	0.2
383.29413	0.2
441.34207	0.1
485.12695	0.2
486.14120	0.3
487.14575	11.8
488.14877	1.4
503.33728	1.2
507.14648	0.4
555.20685	0.3
587.23340	0.6
637.17603	0.3
651.19141	1.3
652.20062	12.4
653.20490	1.9
704.39325	0.2
717.23718	0.4
731.25763	0.9
732.26501	0.3
749.26263	2.3
750.26044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.7
59.01253	3.1
61.98703	5.8
69.86407	1.4
71.01253	5.0
72.99185	1.0
74.44616	0.3
75.00748	6.1
77.24078	0.3
83.01270	0.4
85.02822	5.3
87.00776	0.5
88.10319	0.3
89.02319	1.2
93.03372	0.4
95.01259	2.2
99.00767	0.5
101.02332	0.9
105.03330	0.5
107.04915	0.3
109.02837	1.3
113.02330	7.9
115.01736	0.4
117.03358	1.5
121.02860	2.3
123.04409	0.6
123.53393	0.4
128.03419	0.5
132.02092	1.9
133.01390	0.5
133.02853	29.0
134.03694	4.5
135.04416	48.0
135.12308	0.3
136.04732	2.2
137.02322	1.5
139.03923	0.6
143.03360	0.4
145.02859	0.6
149.02354	5.5
149.05908	0.6
150.03183	2.3
159.04379	0.5
161.02354	64.8
162.02724	3.1
164.04712	0.5
172.05249	0.3
175.03905	0.9
177.05559	0.6
178.02658	4.1
179.03423	100.0
180.03755	5.4
187.07510	1.8
189.05458	0.7
193.04990	1.3
201.05602	0.5
203.03444	2.0
209.11745	3.4
215.07033	0.7
221.04434	0.5
227.12935	0.7
231.06731	0.4
233.04614	1.2
251.05618	1.5
252.58603	0.3
257.08136	2.4
305.06992	0.5
323.07614	1.7
325.09131	1.8
486.13696	0.4
487.14539	17.4
488.14777	2.2
568.48499	0.4
587.31122	0.5
630.41772	0.4
643.23932	0.8
651.19360	3.5
652.20032	24.5
653.20367	3.9
687.26654	1.4
749.26239	6.1
749.37683	0.7
750.26904	1.6
751.98419	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	0.5
59.01245	2.1
61.98705	1.6
70.85120	0.6
71.01253	4.2
72.99171	0.3
73.02783	0.3
83.01252	0.3
83.02390	1.1
83.65806	0.3
84.34551	0.3
85.02817	4.2
87.96350	0.3
89.02299	0.4
93.03339	0.8
95.01268	1.4
95.04890	0.5
101.02324	0.5
105.03351	0.5
107.04900	0.7
109.02811	1.3
111.00719	0.3
113.02325	7.0
117.03376	0.8
121.02835	2.9
132.02051	1.3
133.02843	18.6
134.03670	4.5
135.04410	58.3
136.01535	0.3
136.04755	2.6
137.02350	3.3
139.03952	0.8
145.02823	0.3
149.02364	3.8
150.03169	1.7
151.03954	0.4
153.03098	0.3
160.01620	0.6
161.02345	42.8
162.02689	2.0
164.04599	0.3
175.03909	0.6
177.05516	0.8
177.51698	0.3
178.02638	2.2
179.03413	100.0
180.03740	5.4
181.04926	0.4
193.05013	1.7
193.06676	0.2
194.43153	0.3
202.06190	0.3
203.03508	1.6
205.37843	0.3
229.08641	0.7
233.04498	1.1
245.04439	0.8
251.05525	1.4
257.08115	0.6
275.09134	0.5
305.06775	0.4
323.07733	1.3
325.09259	1.0
352.80103	0.3
405.98682	0.3
487.14523	11.1
488.14920	1.5
587.23737	0.5
626.68378	0.4
651.19287	1.8
652.20007	10.5
653.20294	2.6
717.23755	0.7
749.26428	3.1
750.27063	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.7
61.63591	0.3
61.98702	100.0
62.83691	0.3
63.18087	0.3
71.01251	3.0
71.51456	0.4
71.52133	0.3
72.99230	0.5
73.02821	1.1
75.00757	1.1
78.95781	1.3
80.96374	0.4
83.01277	0.3
85.02836	0.9
88.98685	0.4
89.02302	0.5
96.95904	0.6
101.02322	1.2
108.41841	0.3
109.06489	0.5
113.02350	1.5
116.92778	0.4
121.06653	0.4
122.06033	0.4
133.02859	1.8
135.04408	2.3
137.02399	0.6
152.07126	0.7
161.02344	3.0
161.04469	0.5
163.11241	0.5
171.10138	0.6
178.02649	0.4
179.03439	3.3
207.10205	0.6
209.11734	3.2
225.11392	1.1
241.01221	0.5
245.11778	0.9
253.09129	0.6
269.55640	0.3
282.72015	0.4
309.88364	0.4
326.15234	0.5
337.40686	0.4
405.28012	0.4
421.31134	2.1
439.32187	2.6
440.32623	0.5
487.14951	0.9
501.32199	22.0
502.32556	4.2
543.33350	1.7
564.23718	0.5
652.19794	0.4
655.28070	1.4
705.38550	24.8
706.38763	7.0
717.26013	0.4
718.26538	0.4
749.32648	1.3
750.33173	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.6
57.03318	1.4
59.01250	7.5
59.08236	0.3
61.22580	0.4
61.98702	3.0
66.96111	0.4
69.03342	2.3
69.20023	0.4
71.01251	6.7
71.04897	2.0
71.51476	0.5
71.52483	0.4
71.83882	0.3
72.99181	8.4
73.02816	1.2
75.00748	0.4
78.95779	0.8
80.02570	0.5
81.03336	1.4
82.95294	2.1
83.01266	0.8
83.02393	0.8
83.04906	1.3
85.02817	1.4
87.00757	1.2
89.02324	2.9
93.03365	0.6
95.01266	0.6
95.04901	1.1
96.95902	1.1
97.06496	0.9
101.02327	4.3
106.04144	0.5
109.06480	9.0
111.04414	2.6
111.08035	1.5
113.02339	2.5
119.03377	1.0
119.04973	0.4
120.05688	0.3
123.08055	1.4
125.09557	0.4
127.07563	1.1
135.04372	0.5
135.08009	0.5
137.09633	0.9
141.09146	0.8
143.03409	0.6
143.10658	0.9
145.05000	0.7
145.06511	1.6
149.09613	1.8
151.11263	0.6
152.99498	0.5
161.02391	0.4
161.04462	2.3
163.11229	0.7
167.10693	4.9
177.12775	1.5
179.03531	0.5
179.05502	0.4
179.10696	2.2
179.14284	2.9
181.12311	0.5
182.38539	0.4
187.11226	0.3
190.22618	0.4
195.13847	12.1
196.14206	0.6
205.12286	11.3
206.12677	0.6
209.11777	1.3
218.53096	0.4
221.11690	0.4
223.13356	90.7
224.13672	5.4
235.08205	4.9
235.13361	1.0
237.11325	0.9
237.14886	1.9
245.19109	3.8
246.19191	0.4
251.16473	0.7
253.09299	11.2
254.09698	0.6
271.17084	1.2
273.14951	0.6
275.16574	1.1
277.21814	0.4
285.44553	0.5
287.16672	1.9
289.18103	100.0
290.18469	8.7
291.19678	0.6
293.17767	0.5
293.21353	1.1
307.19125	4.7
308.19342	0.5
385.23825	0.4
397.13632	0.5
403.24631	0.5
437.21832	0.4
437.26993	2.0
441.21277	0.8
442.21722	0.4
455.27853	1.3
459.22375	7.6
460.22534	0.8
477.29916	0.8
495.31100	1.7
507.26068	0.8
513.32343	1.8
525.27167	3.6
526.27307	0.6
621.33148	0.5
635.60742	0.4
673.35876	2.0
691.37061	0.4
731.40344	1.8
732.39935	0.5
749.41211	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70620	0.1
58.52335	0.1
59.01252	6.7
60.01588	0.3
61.01677	0.2
61.98705	100.0
62.98403	0.2
64.05799	0.1
67.28844	0.1
69.40188	0.7
77.84970	0.1
78.95805	0.2
98.19833	0.2
191.81027	0.1
258.55640	0.1
312.01697	0.1
377.73166	0.1
457.08578	0.1
457.16620	0.1
458.17703	0.1
475.18573	0.2
513.14081	0.2
514.13617	0.4
515.13550	0.5
524.49249	0.1
527.15131	0.2
528.14923	0.3
529.15393	0.6
603.19861	0.3
604.19519	0.4
614.20471	0.2
615.20190	0.4
616.20337	1.6
617.20477	3.6
618.20404	0.3
648.19891	0.2
649.19427	0.6
690.22888	0.5
749.25397	0.5
750.24786	4.8
751.23737	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.6
61.98703	100.0
62.98392	0.2
70.80422	0.2
71.01281	0.2
71.44405	0.1
75.00723	0.1
78.95781	0.1
80.91536	0.1
88.98708	0.2
96.95887	0.1
113.02361	0.2
133.02890	0.2
135.04453	0.2
138.44225	0.1
161.02365	0.4
179.03452	0.3
191.92430	0.1
205.46779	0.1
209.11858	0.4
257.41705	0.1
374.90738	0.1
375.52045	0.1
397.14200	0.1
593.54242	0.1
648.27747	0.1
706.39166	0.2
750.26733	0.3
751.27826	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.4
57.03316	1.6
59.01254	10.2
61.11332	0.6
61.98693	3.4
61.98985	0.7
63.77825	0.7
70.38493	2.0
71.01254	17.7
72.71809	0.8
72.99194	3.9
73.02814	1.0
75.00739	2.8
77.49146	0.7
79.01745	0.8
81.03268	0.9
83.01256	2.2
83.02361	2.2
83.62334	0.8
84.00754	1.0
85.00296	2.3
85.02827	16.9
86.03126	0.8
87.00738	2.7
89.02312	2.9
91.01797	1.1
93.03319	5.0
95.01260	6.6
95.04885	1.3
96.95886	2.3
99.00745	1.5
101.02319	3.5
102.05390	0.7
103.00267	1.0
104.62006	0.7
105.03337	1.3
109.02849	4.6
113.02328	24.2
114.02629	1.2
117.03347	1.1
119.02067	0.8
119.04868	0.9
121.02854	5.9
123.00729	0.9
123.04408	4.7
123.72387	1.0
132.02040	2.5
133.02849	43.5
134.03529	3.4
135.04416	51.1
136.04761	9.9
137.02342	15.0
137.04942	2.1
139.03864	1.0
145.02820	2.1
147.00784	1.3
148.01546	2.9
149.02342	10.7
149.06023	1.3
150.02881	2.3
151.03836	1.2
159.04416	1.6
161.02351	100.0
162.02708	10.1
163.00287	0.8
163.02800	1.9
164.00990	0.8
165.01837	9.9
165.05542	0.9
166.02551	1.4
172.05270	0.7
173.05933	2.3
175.00255	1.2
175.02452	1.2
175.03868	1.2
177.01863	13.9
177.05429	1.1
178.02467	2.3
179.03424	63.7
180.03751	18.3
181.03827	5.1
187.03851	1.3
187.07593	6.9
188.07916	0.9
189.05380	1.0
190.99638	0.9
192.00572	2.1
193.01364	43.6
193.03221	1.4
194.01648	2.6
194.33614	0.8
195.02867	1.6
201.05357	1.9
202.06300	8.6
203.03496	1.3
203.07001	1.5
204.03893	0.9
213.09155	1.3
231.10229	6.2
249.11299	3.2
251.05534	0.9
283.02707	0.9
284.03165	1.2
289.05600	0.9
296.16348	0.8
351.05591	10.3
353.69467	0.8
466.47858	1.0
487.14377	2.0
488.14990	2.5
489.15085	3.2
557.22406	16.8
558.22528	3.5
571.22894	1.2
573.22003	1.3
576.55530	0.9
653.19281	2.0
654.20026	6.1
655.20917	1.0
701.24335	3.4
719.25592	15.7
720.25940	2.3
733.25922	7.8
734.26752	1.1
751.25214	11.6
752.25220	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	751.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.3
59.00993	0.5
59.01250	5.1
61.98689	1.5
69.20181	1.6
69.20607	1.6
71.01252	9.0
72.99181	1.5
73.02811	0.5
74.53143	0.4
75.00741	0.7
77.03831	0.4
83.01240	0.5
83.89425	0.3
85.02824	10.8
87.00742	0.9
89.02310	2.7
89.03809	0.5
93.03316	0.5
95.01254	3.4
96.95877	2.0
97.02804	0.4
98.20509	0.6
99.00720	0.8
101.02326	1.4
103.03876	0.4
104.02538	0.5
105.03349	1.2
109.02857	0.4
109.86771	0.4
113.02328	15.7
114.02626	0.6
117.03351	1.2
119.03406	0.5
119.04894	0.9
121.02834	0.7
122.03638	0.5
123.04410	0.8
132.02069	3.2
133.02852	44.4
134.03262	2.0
135.04417	11.5
136.04781	1.1
137.02330	1.0
143.03490	0.4
145.02858	1.2
146.03598	0.5
149.02335	0.7
150.03140	1.8
158.03665	0.5
159.04414	0.6
160.01598	0.6
160.05182	0.4
161.02357	100.0
162.02696	5.2
163.03986	0.5
165.05478	1.0
172.05275	0.3
173.06029	1.2
175.03831	0.6
177.01851	5.5
178.02577	0.4
179.03419	9.3
180.03787	1.2
187.03955	0.8
187.07579	6.2
188.07872	0.5
193.03481	0.6
195.06580	0.8
201.05499	1.5
202.06290	7.5
203.06885	0.9
203.10757	0.4
213.09137	0.8
216.07794	1.0
219.10143	0.6
220.07404	0.4
231.10211	5.3
232.10580	0.7
249.11320	1.3
263.13074	0.4
343.11676	0.4
351.05667	2.9
352.05978	0.4
487.14487	0.5
539.21033	1.8
557.22314	7.1
558.22870	1.0
571.24255	1.8
589.25281	0.7
649.10327	0.4
701.24768	4.8
702.25195	0.5
719.25464	24.7
720.25848	5.2
720.89728	0.4
733.16492	0.3
733.27161	9.5
734.27368	1.8
751.28058	11.2
752.28845	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	751.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.2
59.01250	6.6
61.98706	3.7
71.01250	11.1
71.20512	0.5
72.99178	2.2
73.02814	0.9
75.00745	1.0
83.01240	0.6
85.02821	10.7
87.00766	1.4
89.02312	3.4
95.01259	3.1
96.95892	1.5
98.19778	1.4
99.00744	1.5
101.02332	1.5
105.03321	1.3
109.02811	0.8
113.02325	19.2
116.71011	0.5
117.03323	1.2
117.79668	0.6
119.03355	1.0
123.04387	0.7
132.02075	2.0
133.02847	44.0
134.03255	1.7
135.04413	10.7
135.05415	0.7
136.04782	0.8
137.02310	1.0
145.02881	0.7
149.02373	0.7
150.03108	0.8
158.03598	0.7
161.02348	100.0
162.02731	4.2
163.02858	0.6
173.05977	1.2
175.02457	0.6
175.22205	0.6
177.01859	6.4
179.03423	10.6
180.03775	1.7
183.15706	0.6
187.07584	5.0
193.01546	1.3
193.03506	1.7
201.05522	1.3
202.06294	8.1
203.06613	0.6
213.09180	0.7
231.10184	5.7
232.10619	0.6
249.11302	1.5
278.10568	0.6
284.03268	0.8
351.05685	8.6
352.06024	0.9
381.09766	0.6
411.16461	0.6
487.14221	0.8
539.21442	1.7
557.22278	7.7
558.22723	1.0
571.24011	1.9
589.24786	0.8
636.09979	1.6
697.73962	0.6
701.24396	4.7
702.24731	0.8
719.25433	25.5
720.25952	5.2
733.15857	1.0
733.27118	8.7
734.27509	2.0
751.27966	10.4
752.28613	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	751.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00914	0.4
59.01245	3.6
61.98712	1.9
69.03330	0.7
71.01260	3.4
72.99187	3.1
73.02850	0.3
73.67780	0.3
75.00747	100.0
76.01081	1.1
81.03342	0.3
83.04900	0.5
85.02821	0.7
85.28940	0.3
87.00761	0.5
89.02304	2.8
97.02844	1.1
97.06477	0.6
98.20549	1.1
101.02329	2.5
109.06458	1.9
111.08027	0.4
113.02338	1.5
119.03388	0.8
125.02371	0.4
125.09608	1.4
132.64201	0.3
133.02870	0.4
135.08046	0.4
161.02365	0.9
161.04510	0.5
163.11201	1.5
167.10727	0.5
171.10205	1.5
179.10684	0.5
179.14323	0.5
181.12289	0.4
185.11726	0.6
191.66162	0.4
195.13863	2.3
196.14267	0.4
197.11798	3.3
205.12344	1.6
207.10201	4.2
209.11749	2.1
211.13351	5.0
221.11772	0.6
223.13354	15.6
224.13680	1.8
225.11327	2.3
225.13762	0.4
235.08237	2.1
245.19109	0.9
251.16600	1.1
253.09238	3.2
277.21716	3.5
289.18100	3.7
290.18518	1.5
291.19647	5.9
292.19962	0.8
293.21371	1.2
307.19077	2.1
309.20709	3.3
358.44604	0.4
397.13525	7.7
398.13846	0.7
415.14600	2.4
459.22528	1.5
461.20355	0.7
487.33902	0.4
527.28198	0.5
635.30640	0.5
733.38385	0.8
751.38983	4.7
752.39752	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94894	0.6
57.03331	3.0
58.00462	0.7
59.01254	17.5
61.81967	0.6
61.98703	2.8
69.03314	3.8
70.88474	0.7
70.88783	1.1
71.01256	11.5
71.04893	1.3
71.85005	0.7
72.99188	1.1
73.02820	2.2
75.00752	1.6
78.95791	1.0
80.02541	1.0
81.03329	4.0
83.01254	3.8
83.04467	0.7
83.04884	4.2
85.02811	3.6
85.70489	0.6
87.00758	2.0
89.02321	5.1
93.03300	1.0
95.01255	1.1
95.04912	2.6
97.02824	10.4
97.03398	0.8
97.06470	5.2
97.31876	0.7
99.00764	1.5
101.02315	10.0
105.06898	0.6
107.04945	1.6
109.06472	24.1
110.03613	1.4
110.06754	1.2
111.00814	0.9
111.04408	0.9
111.08057	4.3
113.02338	6.9
119.03391	1.2
119.08512	0.9
121.06482	2.7
123.04411	2.9
123.08072	1.5
123.46581	0.6
125.05968	0.8
125.09614	5.6
129.01814	0.8
133.02832	0.8
135.04399	0.7
135.08043	4.1
136.05183	1.4
137.09604	2.6
141.09082	0.8
141.12653	0.7
142.02641	2.0
143.03432	1.7
145.10036	1.1
153.09155	0.9
161.02361	1.3
161.04463	4.6
161.05643	0.8
161.09633	2.7
163.11191	17.3
165.09221	0.8
165.12778	2.6
167.10670	3.7
169.12315	1.3
171.10155	2.6
177.12820	1.0
179.05550	1.0
179.10718	2.8
179.14323	3.5
181.12250	4.8
185.11751	5.3
187.09685	1.2
189.09196	1.3
191.14320	4.3
193.12360	1.5
195.13852	12.4
197.11761	18.4
199.13321	1.6
205.12282	11.9
207.10202	64.0
208.10522	5.0
209.11768	19.6
210.12167	1.0
211.13335	4.0
217.15773	1.2
221.11810	2.5
223.13347	100.0
224.13683	5.1
225.11279	27.5
225.13560	1.0
226.11588	1.7
227.12749	1.6
235.08188	9.0
237.11343	1.2
239.12814	1.8
243.12439	1.0
245.19116	8.2
247.20663	1.0
251.16420	0.9
253.09265	27.8
253.11928	1.6
254.09570	0.8
263.20154	2.9
265.17993	0.9
271.17065	1.0
275.25082	0.8
287.16486	1.2
289.18100	27.6
290.18399	2.9
291.19650	18.5
292.20023	1.1
293.21326	2.3
305.17651	1.9
307.19147	27.4
308.19342	2.4
309.20709	55.8
310.21185	3.4
323.22275	0.8
327.19962	0.8
345.20944	1.2
399.21756	3.7
405.17786	1.0
417.22882	1.6
443.18997	2.0
459.22388	10.9
460.22739	1.3
461.20309	9.4
462.20410	1.5
479.27679	1.7
497.29001	2.8
498.30197	0.8
515.32697	0.8
545.29596	1.9
571.32605	0.8
609.29346	0.9
624.31653	0.8
635.30530	4.2
653.31769	2.8
715.37103	2.3
716.38055	0.9
733.38208	7.1
734.38397	2.1
751.39148	22.7
752.39453	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	751.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.8
57.03325	1.5
58.00466	0.6
59.01250	10.0
61.98717	2.0
69.03324	3.6
71.01258	6.8
71.04899	1.0
73.02826	1.5
78.95792	0.6
80.00868	0.3
81.03336	0.7
83.01260	1.3
83.04902	1.8
85.02821	1.7
85.06487	0.3
87.00764	1.5
89.02323	4.5
91.03860	0.4
93.03368	0.4
95.01263	0.9
95.04896	0.8
97.02842	2.9
97.06448	1.2
99.00740	0.7
101.02319	5.7
106.99453	0.3
108.05724	0.4
109.06471	3.3
111.08041	8.8
113.02325	3.4
119.03400	1.1
121.06478	0.4
123.04405	0.4
123.08080	0.9
125.09621	1.4
127.07536	1.2
135.08058	0.9
136.48392	0.4
137.09616	1.0
141.09119	0.8
142.02669	0.3
143.03401	0.4
145.04919	0.4
145.52585	0.3
147.08014	0.3
149.09634	1.0
151.11156	0.6
153.09145	0.5
153.12781	1.2
155.20856	0.3
161.02367	0.5
161.04526	2.3
163.11183	2.1
165.12744	0.8
167.10707	4.3
169.12242	3.5
171.10165	2.2
177.12788	1.0
179.05544	0.8
179.10730	1.8
179.14337	4.0
181.12262	1.8
183.13832	1.2
185.11752	0.9
191.14337	0.4
193.12294	1.1
195.13849	10.7
196.14133	0.9
197.11761	36.0
198.12090	2.1
199.13309	3.1
203.10629	0.5
205.12277	9.6
206.12621	0.6
207.08357	0.7
207.10197	5.9
208.10468	0.4
209.11755	3.5
211.13353	6.9
221.11827	1.0
223.13347	100.0
224.13701	7.7
225.11258	2.5
227.12907	1.6
235.08202	4.8
239.12820	0.9
245.19106	0.9
247.20711	0.8
253.09268	21.8
254.09604	1.5
263.20111	3.0
265.18088	0.8
273.18680	1.1
275.20221	0.6
289.18091	3.1
291.19666	23.4
292.19977	3.1
293.21185	1.2
307.19180	2.4
309.20709	71.2
310.21069	8.0
323.22159	0.5
415.19812	0.4
424.45053	0.3
433.20648	0.8
441.21011	0.5
459.22400	7.6
460.22629	1.3
461.19946	0.8
497.29111	0.4
515.33734	1.2
522.66272	0.4
527.28821	0.9
545.29718	2.4
635.30823	0.5
733.37573	0.8
751.27014	0.4
751.39917	2.7
752.40686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.1
59.01251	7.6
61.98690	2.4
67.01739	1.0
69.03316	2.6
69.69952	2.3
71.01257	5.3
71.04900	0.7
72.99203	0.7
73.02821	0.7
73.95762	0.5
75.00736	2.4
78.95753	0.6
83.01248	1.1
83.04889	1.2
85.02835	1.5
85.06469	0.8
87.00747	1.1
89.02316	2.8
92.58241	0.5
93.03315	0.7
94.14435	0.5
95.04903	1.1
97.02824	0.7
97.06450	0.6
101.02324	4.2
103.66361	0.5
109.06449	1.5
111.08048	2.1
113.02315	2.9
119.03316	1.3
121.10124	3.2
123.08040	1.0
125.09624	4.8
133.02829	0.8
135.04419	0.8
137.09596	1.5
145.04929	0.5
161.02335	1.5
161.04466	1.5
163.11217	0.6
167.10695	4.2
167.14305	0.6
171.10202	10.2
177.12532	0.6
179.03397	1.1
179.05576	0.7
179.10678	1.7
179.14372	3.7
185.11743	5.6
195.13840	10.1
195.16728	0.6
196.14230	0.9
197.11777	2.8
205.12289	10.7
206.12656	0.9
207.10196	3.3
209.11786	2.8
211.13341	60.6
212.13637	4.0
221.11800	1.7
223.13348	100.0
224.13686	6.3
225.11234	2.1
235.08211	4.9
239.12915	1.1
247.20731	0.6
249.14983	0.6
253.09303	10.7
273.18585	1.2
289.18094	1.9
291.19659	51.5
292.19934	5.9
293.21121	1.5
305.17776	0.6
307.19028	1.1
309.20767	4.2
310.20923	0.7
317.51343	0.7
441.21155	1.9
447.22177	2.6
459.22308	11.6
460.22617	1.7
461.20364	0.8
475.21475	0.6
497.32947	1.0
527.28473	6.5
528.20233	0.5
528.28876	1.5
613.31580	0.6
653.35150	2.1
654.36182	0.7
715.41333	1.0
733.41486	2.0
751.39276	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	751.427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.3
57.03331	0.9
58.00465	0.5
58.10805	0.2
59.01255	7.2
61.21801	0.2
61.98705	0.6
69.03330	3.0
71.01254	5.5
71.04892	0.7
71.08987	0.6
73.02827	1.0
75.68966	0.2
81.03338	0.4
83.01276	0.7
83.04917	0.9
85.02832	1.5
85.06475	0.7
87.00766	1.0
89.02319	3.3
89.34650	0.3
93.03340	0.7
95.01225	0.3
95.04913	0.4
97.02837	2.2
97.06482	0.7
99.00754	0.5
101.02317	3.6
101.02907	0.2
109.06497	1.0
111.08043	6.7
112.08433	0.3
113.02343	2.6
119.03436	1.0
123.08047	0.3
125.02344	0.3
125.09622	0.7
127.07526	0.5
137.09647	0.3
141.09233	0.3
143.03386	0.4
145.04956	0.5
149.09625	0.6
151.11217	0.4
153.09166	0.7
153.12741	0.7
161.04471	1.9
161.09624	0.3
161.13213	0.5
163.11189	0.6
165.12773	1.7
167.10698	3.3
169.12250	3.0
171.10205	1.4
174.57085	0.3
177.12782	0.9
177.33601	0.2
179.05556	0.9
179.10728	1.6
179.14322	4.1
181.12231	1.2
183.13873	0.5
187.11153	0.4
193.12270	0.7
193.15833	0.3
195.13852	11.1
196.14185	0.7
197.11774	34.6
198.12093	1.7
199.13329	1.8
205.10326	0.5
205.12283	10.8
206.12689	0.7
209.11746	0.9
211.13339	5.2
212.13681	0.3
217.07205	0.3
221.11917	0.3
223.13354	100.0
224.13693	6.8
227.12785	1.6
235.08188	4.2
247.20673	1.0
249.14943	1.0
253.09270	16.8
254.09682	0.7
256.82855	0.3
263.20135	1.8
265.18112	0.8
272.69330	0.2
273.18625	1.0
291.19675	19.9
292.20038	2.3
293.21155	0.3
307.92310	0.2
309.20712	53.9
310.21036	6.6
317.20755	0.3
433.20850	0.8
441.21219	0.5
449.75793	0.4
459.22354	8.3
460.22821	1.1
515.33899	0.9
527.28510	0.6
545.29871	1.8
546.29865	0.3
565.61877	0.3
627.72607	0.3
722.97174	0.3
751.42834	1.0
766.36816	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.3
57.03313	1.0
58.00473	0.7
59.01247	5.2
61.98691	0.3
69.03326	2.3
70.18092	0.3
70.18419	0.9
71.01250	4.9
71.04894	0.9
72.01582	0.4
73.02809	1.1
79.81508	0.3
81.03309	0.5
83.01266	0.7
83.04903	0.7
85.02811	1.5
85.06457	0.4
85.22059	0.3
87.00753	1.3
89.02319	2.9
93.06969	0.4
95.01250	0.4
97.02847	0.5
97.06459	0.8
101.02333	4.0
109.06498	1.7
111.08038	5.2
113.02335	1.9
115.37215	0.3
119.03389	0.8
125.02311	0.4
125.09631	0.8
127.07553	0.7
141.09058	0.3
145.05028	0.7
149.09579	0.6
151.11142	0.7
153.12787	0.7
161.04466	2.3
161.13274	0.4
163.11208	0.5
167.10686	3.7
169.12245	2.7
171.10205	0.4
177.12746	0.9
179.05511	0.6
179.10684	1.2
179.14334	3.2
181.12378	0.7
183.13821	0.4
193.12123	0.4
195.13840	9.9
196.14096	0.5
197.11768	28.2
198.12070	1.6
199.13329	1.7
205.12276	10.7
206.12660	0.7
207.10205	1.4
209.11710	0.6
211.13347	4.0
221.11745	2.0
222.12144	0.3
223.13347	100.0
224.11548	0.7
224.13678	7.4
225.11316	0.7
227.12852	0.5
235.08194	7.4
236.08684	0.5
239.12866	1.6
253.09258	16.1
254.09549	0.7
262.15411	0.4
263.20126	1.6
265.18015	0.5
267.63596	0.3
273.18454	0.4
291.19662	10.8
292.19989	1.1
293.21210	2.4
309.20700	41.4
310.21091	4.0
347.86441	0.4
420.05246	0.4
433.21036	0.4
459.22357	12.8
460.22784	1.3
464.20035	0.3
475.22113	0.6
515.33466	0.7
527.28790	0.5
545.29926	0.8
705.67059	0.4
751.40668	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.8
58.00467	1.3
59.01247	13.8
61.98694	4.0
64.49328	1.0
69.03321	3.1
71.01250	14.1
72.99192	1.6
73.02797	3.0
74.63524	0.8
78.95782	1.7
80.02547	0.9
81.03328	3.7
83.01235	1.1
83.04897	8.1
85.02827	7.1
87.00761	2.8
89.02318	6.8
93.03331	0.9
95.01264	1.9
95.04897	3.6
96.95885	0.9
97.02830	2.9
97.06500	1.9
99.00710	1.0
99.04372	1.1
100.01616	0.9
101.02341	9.1
107.04890	1.1
109.06437	3.2
110.03612	2.7
111.04396	0.8
111.08071	6.2
113.02339	4.7
119.03342	1.3
120.39563	0.8
123.04395	1.4
123.08044	1.4
125.09575	1.2
142.02634	1.0
147.08061	0.9
149.09593	2.3
151.11104	0.9
152.99435	1.4
153.12840	1.0
155.10669	1.2
161.04462	4.0
167.10695	5.7
171.10144	2.7
175.11224	1.3
177.12779	10.9
179.05414	1.4
179.10703	3.0
179.14293	2.5
181.12141	1.3
183.13799	1.9
193.12294	2.2
195.13852	22.9
196.14307	2.2
197.11861	5.9
203.10690	3.7
205.12308	7.1
209.11743	2.6
211.13335	9.7
221.11784	60.8
222.12065	4.3
223.13356	64.7
224.13638	4.6
227.12740	1.0
235.08197	6.9
239.12863	100.0
240.13173	6.6
247.20471	1.2
253.09254	28.8
254.09718	1.7
275.20163	7.5
289.17923	1.0
291.19659	49.1
292.20001	5.1
293.21228	92.8
294.21567	8.1
309.20700	4.0
457.20660	4.3
475.21759	13.2
476.22116	1.3
525.97565	1.0
527.28650	1.5
751.42657	11.1
752.42944	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	753.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.6
57.03325	1.1
58.00448	0.5
59.01252	9.4
60.99186	0.9
61.98708	3.6
70.06959	1.0
70.07355	0.8
71.01254	10.6
72.99191	1.1
73.02829	1.8
75.00747	0.8
80.96413	0.6
83.01262	0.9
83.02381	0.7
85.02825	7.1
87.00757	1.5
88.98680	4.6
89.02312	5.1
89.03861	0.5
93.03346	0.4
95.01279	2.3
95.04899	0.5
97.02831	1.1
99.00776	0.9
99.04442	0.6
101.02340	4.4
105.03344	0.9
110.36124	0.3
111.00782	0.5
113.02332	11.8
114.02734	0.4
117.03350	2.7
119.03393	1.5
119.04893	0.9
123.04411	0.9
125.02363	0.7
127.03889	0.4
130.81100	0.4
131.03387	0.4
132.02066	2.5
133.02853	36.5
134.03282	1.4
135.04414	6.9
136.04715	0.5
137.02353	1.6
138.01892	1.2
145.02870	2.3
145.04825	0.4
149.02380	0.4
151.03952	1.0
156.03908	0.4
160.01541	1.3
161.02354	100.0
161.04512	3.1
162.02718	3.8
163.03952	1.5
175.03984	1.2
177.01843	1.6
179.03406	3.4
179.05586	0.4
193.01321	0.8
193.04965	0.5
201.11375	0.5
221.06563	0.5
308.42157	0.4
334.25113	0.4
471.12988	0.6
481.16324	0.4
488.06345	0.4
507.54346	0.4
512.12018	0.4
591.22650	1.6
630.86871	0.4
753.26013	59.9
754.26483	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	753.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.8
60.99178	0.3
61.98704	16.2
69.24740	1.3
71.01248	0.6
73.30939	0.2
75.00755	0.3
78.95768	0.2
79.95645	0.3
80.96397	0.5
85.02826	0.4
87.00766	0.4
88.98690	1.2
89.02323	0.5
90.98470	100.0
91.98327	0.3
91.98854	0.9
93.03320	0.3
94.97945	0.2
96.95909	0.2
101.02354	0.4
103.00217	0.3
103.03899	0.4
113.02332	0.4
121.30727	0.2
133.02867	0.5
134.66696	0.1
135.04413	0.5
136.01569	0.2
136.04797	0.2
137.02353	0.7
145.02907	0.3
161.02357	1.1
168.38402	0.2
173.67825	0.2
176.72569	0.2
179.03445	0.6
184.82668	0.2
276.87531	0.2
344.71631	0.2
691.25671	0.4
753.30493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.8
60.97396	0.2
61.98702	25.8
62.98396	0.2
63.99123	0.2
71.01251	0.9
71.51259	0.2
72.99185	0.2
78.95802	0.2
79.95612	0.3
80.96397	0.5
85.02828	0.5
87.00762	0.8
88.00272	0.1
88.98686	0.8
89.02316	0.5
90.98467	100.0
91.98326	0.2
91.98468	0.2
91.98850	0.7
93.03341	0.2
94.97979	0.1
95.01246	0.2
96.95914	0.5
98.95459	0.1
101.02322	0.5
109.02833	0.1
113.02332	0.8
117.19401	0.1
119.03323	0.1
119.04893	0.1
120.99519	0.3
121.37167	0.1
123.04353	0.1
133.02846	1.1
134.03586	0.4
135.04413	1.4
137.02344	0.8
138.87013	0.1
143.03325	0.1
145.02840	0.2
147.04414	0.2
149.02344	0.1
151.03882	0.1
161.01099	0.2
161.02356	2.8
161.04369	0.1
163.03923	0.2
179.03432	2.3
201.05472	0.2
209.11674	0.1
211.15169	0.1
225.00661	0.2
258.47083	0.1
306.01416	0.1
323.07581	0.1
455.31268	0.2
622.18549	0.2
691.25940	1.8
735.28662	0.3
753.30151	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	4.2
59.01255	14.5
61.98700	6.6
65.49223	1.2
68.99684	6.4
69.03317	1.5
69.80685	6.0
71.01255	14.1
72.99166	2.2
73.02805	1.7
75.00756	6.2
78.95772	3.1
81.03367	1.4
83.01290	1.7
83.04904	4.3
85.02822	3.3
87.00758	3.0
89.02329	4.3
89.36889	1.1
91.03851	1.1
96.48374	1.2
96.95896	16.2
97.02821	2.5
97.06469	2.5
99.00798	1.6
101.02320	7.4
107.04897	1.5
109.02857	1.8
109.06480	3.5
110.03594	2.1
111.00793	2.5
111.04421	13.0
111.08018	2.1
113.02344	6.2
123.04434	2.5
123.08015	1.4
125.05973	1.7
125.09631	3.9
135.04410	1.5
135.08031	1.5
151.03963	1.4
151.11194	3.1
152.99519	1.3
153.09079	1.8
161.02364	3.6
161.04469	1.9
161.09689	6.3
163.11191	3.7
171.10193	43.2
172.10500	1.7
177.09116	2.7
177.12712	1.4
179.03360	2.1
179.10703	9.8
179.14427	1.6
185.11787	2.1
186.71198	1.3
195.13890	11.5
197.11865	6.5
205.08669	15.1
205.12170	1.4
207.10219	10.3
209.11784	3.7
211.13306	3.1
213.11256	3.7
221.11737	5.1
222.12056	3.1
223.07578	2.6
223.09744	38.5
223.13277	13.3
224.10075	2.6
224.13695	4.2
225.11264	4.9
228.13596	1.4
235.08148	5.9
239.12794	3.4
240.13136	2.6
241.10820	3.3
253.09268	22.7
265.14767	25.2
266.15042	1.6
275.20160	6.5
277.21631	1.7
283.06290	1.6
291.19672	5.2
292.20306	1.6
293.21240	100.0
294.21579	13.3
295.21896	1.5
309.20786	11.0
310.21027	2.1
311.21722	1.7
327.15778	1.6
327.21786	2.2
337.31912	1.3
441.17542	2.0
459.18646	4.7
499.30783	1.4
710.38806	1.7
735.39380	14.3
736.39771	2.9
753.40863	20.5
754.40826	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.0
57.03324	1.4
58.00477	1.0
59.01251	15.1
61.98711	1.0
63.96380	0.5
66.21391	0.5
69.03329	2.2
71.01256	9.3
73.02842	1.3
80.02552	1.5
81.03321	2.3
83.01276	1.5
83.04910	4.5
84.02052	1.0
85.02834	3.6
87.00768	2.1
89.02312	5.2
93.03349	0.9
95.01241	0.7
95.04906	1.5
97.02830	9.5
97.06461	1.8
99.00750	1.8
100.26041	0.6
101.02319	8.2
106.04134	0.7
107.04937	1.3
109.06477	33.7
110.03648	1.9
110.06816	1.2
111.00750	0.8
111.04408	0.7
111.08052	5.9
113.02328	2.9
119.03410	1.5
119.04900	0.6
121.06481	2.3
123.04406	2.4
123.08053	1.0
125.02357	0.6
125.09621	2.6
125.48250	0.6
131.03481	0.6
135.08031	3.9
136.05206	1.7
137.05777	0.6
137.09618	1.7
142.02606	2.2
143.03360	0.7
145.04977	0.9
145.78552	0.6
153.12808	1.4
161.02351	1.2
161.04460	2.2
161.09619	2.3
163.11198	22.9
164.11482	1.4
165.09143	0.8
165.12766	2.6
169.12224	3.3
171.10168	2.8
179.03358	0.8
179.05614	0.7
179.10716	1.8
179.14378	0.6
181.12280	5.5
182.12639	0.6
183.13876	1.0
184.29297	0.6
185.11781	2.2
189.09181	2.0
191.10735	0.8
191.14320	1.4
197.11774	30.7
198.12114	2.1
199.13310	1.4
207.10208	100.0
208.10551	5.6
209.11781	34.6
210.12175	2.5
211.13312	4.8
223.09712	0.8
223.13396	0.7
225.11281	36.1
226.11609	1.9
227.12849	6.0
235.08197	6.7
235.91158	0.6
237.11383	0.7
243.12442	1.1
245.19118	2.5
247.20726	1.5
253.09262	22.4
254.09706	1.1
263.20142	1.8
265.18042	0.7
271.16940	0.7
273.18399	0.6
289.18100	11.0
290.18210	0.9
291.19650	21.7
292.20010	2.1
293.21198	1.4
299.15158	0.7
307.19144	9.9
308.19443	1.1
309.20700	53.9
310.21024	5.1
443.19150	4.6
455.31363	1.1
461.20297	11.6
462.20401	1.2
473.32632	0.7
499.30499	1.4
509.27084	0.6
517.31293	1.2
545.29742	1.3
591.36145	0.7
704.87927	0.8
735.39752	1.8
753.40662	33.2
754.41046	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	753.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.2
57.03315	1.4
58.00447	0.5
59.01253	7.4
61.98721	0.6
67.61047	0.5
69.03336	2.8
70.53684	0.7
70.54034	1.0
71.01251	6.2
71.04896	1.6
73.02811	1.4
75.00750	1.7
78.34129	0.5
78.70484	0.6
81.03356	1.0
82.76245	0.4
83.01272	0.8
83.04894	1.8
85.02834	1.6
87.00750	0.5
89.02306	3.0
95.01283	1.0
95.04875	0.6
97.02836	1.9
97.06458	0.7
98.19814	0.6
99.00789	0.8
101.02319	4.2
109.06479	5.2
111.08059	1.6
113.02336	2.3
116.94190	0.6
119.03329	0.5
123.08053	1.0
125.02375	0.6
125.09606	2.1
133.02876	0.6
135.04381	0.8
135.07979	0.8
136.05161	0.6
143.03493	0.5
145.04922	0.5
151.11194	2.2
153.12756	1.9
154.96313	0.6
161.02310	1.6
161.04469	1.3
161.09660	3.2
163.11182	2.7
169.12244	1.6
171.10175	1.3
178.63083	0.5
179.03378	1.4
179.10719	5.7
180.11044	0.5
181.12311	1.0
195.13861	3.6
197.11765	76.3
198.12103	4.3
199.13231	0.5
207.10220	11.6
208.10519	0.9
209.11772	7.8
211.13358	1.4
223.09662	1.7
223.13345	2.5
225.11266	6.0
227.12732	0.9
235.08244	1.0
241.10748	4.3
253.09283	7.5
262.96558	0.6
275.20059	1.6
289.05292	0.5
289.18066	1.8
291.19608	2.5
293.21228	12.0
294.21609	1.4
307.19080	2.2
309.20728	8.2
310.21066	1.1
399.13306	0.5
443.19525	0.6
445.21097	0.6
459.18707	1.2
477.19818	2.3
499.85107	0.7
622.62189	0.5
735.39771	0.7
753.40668	100.0
754.41040	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	754.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44250	0.1
59.01252	1.6
60.99172	0.8
61.98701	100.0
62.98395	0.3
71.01257	1.0
71.04924	0.2
71.52285	0.2
72.99181	0.4
75.00751	0.2
78.95779	0.6
80.96387	0.3
83.01261	0.2
83.04906	0.2
84.61406	0.2
85.02831	0.6
85.99972	0.1
87.00754	1.3
87.26545	0.2
88.00292	0.4
88.05755	0.1
88.98678	7.2
89.02316	1.6
91.64351	0.1
101.02345	0.6
113.02336	0.6
118.82761	0.2
119.03352	0.2
119.04923	0.4
132.02095	0.5
133.02856	0.5
134.03613	0.7
135.04419	0.6
137.02377	0.5
145.02892	0.3
151.00194	0.2
153.02020	0.2
160.01547	1.9
161.02332	1.0
163.03944	0.2
166.02663	0.6
168.63469	0.1
175.02484	0.3
175.03918	2.0
179.03477	0.7
179.05667	0.2
181.05058	0.4
193.05060	0.6
205.05086	0.2
209.11859	0.4
210.12199	0.2
225.00624	0.2
271.95230	0.1
289.64050	0.2
298.65164	0.2
314.36035	0.2
337.09265	2.8
403.13983	0.3
417.15717	0.4
515.45233	0.2
517.31891	0.4
532.32715	0.9
533.31915	0.2
556.39374	0.2
651.39941	0.7
669.41089	0.3
679.36456	1.2
680.37549	0.7
719.26105	0.5
754.31763	1.0
754.49457	0.3
755.31396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.5
61.98702	100.0
62.98398	0.2
67.08978	0.1
68.91748	0.1
69.93288	0.1
71.01265	0.2
71.31115	0.2
76.50340	0.1
78.95786	0.1
80.08289	0.1
83.04903	0.1
89.02295	0.2
96.66872	0.1
96.95888	1.2
96.96806	0.1
99.00738	0.1
100.07783	0.1
101.02328	0.2
103.28217	0.1
103.81710	0.1
109.06512	0.2
113.02296	0.2
135.04364	0.2
137.27455	0.1
142.92772	0.1
161.02521	0.1
171.10236	0.2
174.51384	0.1
179.03418	0.2
197.11794	0.2
207.10320	0.3
209.11775	1.9
210.12097	0.4
211.13295	0.2
225.11354	0.2
227.12900	0.2
235.08136	0.1
253.09323	0.4
291.19638	0.4
309.20755	0.7
325.20306	0.1
326.20441	0.1
527.79651	0.1
689.74854	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	754.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44790	0.1
53.60455	0.1
54.42210	0.1
59.01258	0.2
61.98701	100.0
62.14845	0.1
62.98398	0.2
69.21859	0.1
88.98671	0.4
101.02309	0.1
105.01831	0.2
121.32692	0.1
140.88995	0.1
152.44948	0.1
161.02390	0.1
181.29550	0.1
203.22911	0.1
207.10358	0.1
209.11787	0.1
225.11217	0.1
274.97922	0.1
424.69922	0.1
468.38385	0.1
645.59052	0.1
717.63525	0.1
717.77185	0.1
754.40155	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.4
59.01242	2.5
69.31316	0.3
71.01253	18.9
72.99175	4.5
73.02806	0.4
75.00714	0.5
83.01272	0.4
85.02840	1.0
87.00751	0.7
89.02309	3.8
93.03335	0.5
95.01248	0.3
96.95922	0.4
99.00749	1.5
101.02327	1.6
113.02316	1.8
115.00257	45.6
116.00601	1.4
119.03342	0.4
123.04412	0.7
131.03381	0.4
133.01321	100.0
134.01686	2.2
135.04401	4.8
137.02275	0.7
151.03894	1.1
152.01071	0.6
153.01843	0.4
161.02347	6.9
161.04443	0.7
167.03383	0.7
179.03435	6.4
179.05060	0.6
179.05504	0.5
193.03467	0.5
204.33078	0.4
221.57567	0.3
263.07837	0.4
331.74179	0.3
351.05734	1.1
358.30258	0.5
449.10913	0.8
487.14658	0.6
614.38092	0.4
621.18243	3.8
622.18945	0.7
755.28961	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.2
59.01256	10.0
64.79220	1.0
66.26859	1.1
69.03397	1.0
69.51602	3.9
69.52031	3.7
70.83792	1.1
71.01257	9.3
72.99166	1.3
81.03317	1.6
83.01263	1.3
85.02837	5.1
89.02299	4.8
93.03355	1.1
95.01260	1.9
97.02816	1.1
101.02315	5.5
108.02052	50.3
109.02861	18.6
113.02330	3.8
115.00256	1.5
121.02734	1.4
123.04382	1.9
133.01324	3.0
151.03918	2.6
152.01059	54.7
153.01845	20.4
161.02240	1.0
163.03932	2.0
165.01808	1.3
173.66167	1.1
179.03418	1.4
189.12785	1.7
315.07162	13.8
328.86548	1.2
351.05283	1.2
356.90015	1.2
755.23999	100.0
756.24268	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	755.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.2
59.01255	6.2
61.98707	5.6
63.97803	0.8
68.48497	0.7
69.03338	2.0
71.01260	9.6
71.52445	1.3
72.31445	0.7
72.99187	2.4
73.02818	1.8
75.00735	3.3
81.03350	0.7
83.01258	2.4
85.02824	7.2
87.00760	1.0
88.98701	1.7
89.02316	2.7
93.03335	1.9
95.01249	2.6
96.95893	0.9
99.00788	1.4
101.02302	6.2
107.02291	0.8
107.04945	0.8
108.02055	62.2
109.02855	23.1
111.00759	1.1
113.02345	4.8
115.00258	1.3
116.18714	0.8
116.92748	1.6
117.03350	0.8
119.04911	3.1
121.02778	2.1
123.00755	2.0
123.04398	2.4
125.02353	2.6
132.02023	1.1
133.01315	1.5
133.02844	6.4
134.03639	1.2
135.00766	3.0
135.04419	4.8
136.01590	1.1
137.02344	40.5
138.02632	1.5
142.67848	0.8
143.17874	0.9
145.02873	3.8
147.04437	0.8
150.03197	1.3
151.00293	0.8
151.03899	2.2
152.01059	66.5
153.01852	27.0
154.02101	1.4
161.02356	10.3
161.04434	1.2
163.00275	1.0
163.03938	5.5
165.01839	2.4
175.03984	1.0
176.01073	1.7
177.01859	29.6
178.02258	1.4
179.03395	4.9
181.04930	1.1
191.03500	1.0
213.14926	1.4
227.59183	0.8
315.07220	100.0
316.07486	6.9
339.07199	48.1
339.11450	1.7
340.07541	4.2
357.08170	0.9
375.20245	1.6
382.59866	0.9
383.06195	44.8
384.06491	4.9
401.07257	25.3
402.07422	2.0
507.24472	1.2
533.31921	1.0
695.36609	1.3
711.25775	1.1
755.23236	8.2
755.33972	3.3
756.27472	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	755.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.3
60.99178	19.8
61.98700	1.7
66.13818	0.4
71.01246	1.8
72.61060	0.4
75.00748	0.5
78.91763	0.9
78.95787	1.4
81.51031	0.4
83.04924	0.5
87.00748	1.9
88.00279	2.7
88.98682	100.0
89.02317	15.5
89.99030	0.8
101.02336	1.2
109.06489	1.0
111.95604	0.4
113.02323	0.8
116.31891	0.4
121.50647	0.3
125.09647	0.4
126.56367	0.4
136.91071	0.5
152.99515	0.6
163.11200	1.2
171.10187	6.5
181.12292	0.6
195.13771	0.5
197.11810	1.9
199.13338	0.7
201.11264	0.7
207.10191	3.3
208.10503	0.6
209.11794	4.9
211.13350	0.6
223.13434	0.5
225.11366	4.2
227.12859	2.1
235.08311	0.8
243.12360	0.6
253.09323	2.5
275.20193	0.8
291.19684	1.1
293.21210	6.1
295.22864	0.6
309.20667	2.3
311.22284	1.7
461.20340	1.0
511.49313	0.4
737.41840	0.7
755.42340	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.2
60.99177	17.5
61.98702	9.9
69.23438	0.3
71.01263	1.5
72.99174	0.4
75.00734	0.4
77.84257	0.3
85.02860	0.3
87.00748	3.8
88.00292	2.0
88.01095	0.5
88.64902	0.3
88.98679	100.0
89.02316	25.6
89.99024	0.8
90.01864	0.3
90.02660	0.3
96.04836	0.3
98.19662	0.5
101.02335	0.5
113.02334	0.7
119.03315	0.3
120.76099	0.3
133.02818	0.6
135.04401	0.6
137.02336	0.4
150.47827	0.3
151.03935	0.4
161.02307	1.6
166.02527	0.3
172.08682	0.3
175.00212	0.9
179.03378	0.6
181.05136	0.4
190.02629	0.8
205.04977	1.3
211.56750	0.3
222.44153	0.3
357.60489	0.3
358.31647	0.3
367.10355	1.3
387.14474	0.4
503.33734	0.7
517.31909	0.6
533.30945	0.5
568.93738	0.3
651.39905	1.3
669.40894	0.7
711.42712	0.4
719.25629	0.6
755.29529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.1
60.99176	17.3
61.98702	10.4
63.37698	0.3
69.21638	1.4
69.22035	0.5
71.01254	2.3
72.99181	1.0
73.02803	0.5
75.00763	0.6
78.95788	0.3
80.96406	0.7
83.01247	0.3
83.02389	0.3
85.02831	1.1
87.00759	2.8
87.37411	0.2
88.00272	2.0
88.01089	0.3
88.98676	100.0
89.02315	15.5
89.99020	0.7
93.03326	0.6
95.01257	0.7
99.00764	0.4
99.76361	0.2
101.02323	1.0
108.02040	0.4
113.02338	2.2
118.42699	0.2
119.03383	0.4
119.04913	0.5
121.02782	0.4
123.04444	0.3
132.02019	0.4
133.02846	2.7
134.03581	0.9
135.04413	2.6
136.01595	0.8
137.02364	1.9
145.02846	0.7
149.06012	0.3
150.03156	0.2
151.03879	1.0
152.01039	0.4
160.01590	1.3
161.02351	6.4
161.04402	0.3
162.02896	0.3
163.03903	0.5
174.25659	0.3
175.02554	0.3
175.03856	1.2
177.01846	0.5
179.03436	4.1
179.05020	0.4
179.05624	0.2
181.04944	0.3
187.26018	0.2
192.84227	0.2
193.05060	0.8
233.07617	0.3
284.03308	1.0
337.09293	0.8
351.05548	0.6
403.14059	0.4
453.45251	0.3
485.33121	0.4
487.14294	0.3
622.19226	0.6
695.36749	0.4
716.38879	0.3
719.25513	2.7
720.25598	0.6
737.30121	0.3
755.30737	0.5
756.38171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.5
59.01250	4.6
59.42999	0.2
67.68614	0.3
69.03329	0.6
69.33299	0.5
69.33713	1.6
71.01254	3.4
73.02819	1.0
73.30325	0.2
73.96261	0.2
76.71025	0.2
78.18817	0.2
80.02547	0.9
81.03337	1.2
83.01264	0.7
83.04895	4.7
84.02044	1.1
85.02821	1.0
87.00750	1.2
88.00278	0.2
89.02325	2.2
93.03317	0.4
95.01283	0.5
95.04903	0.7
97.02847	1.9
97.06499	0.5
98.20594	0.5
99.00752	0.3
101.02317	3.2
109.06471	0.4
111.08052	4.0
113.02348	1.6
119.03398	0.5
123.04462	0.3
125.05984	0.3
125.09578	0.5
127.07510	0.4
127.11192	0.3
135.08046	0.9
137.09627	0.4
143.03401	0.4
145.04968	0.4
147.04387	0.5
151.11200	0.4
153.12773	0.6
161.04449	1.5
163.11200	3.6
165.12756	2.6
166.13145	0.4
169.12259	1.6
171.10187	4.2
179.03413	0.4
179.05481	0.4
181.12338	1.4
183.13905	0.3
191.10736	0.9
193.12302	0.3
195.13937	0.4
197.11771	19.2
198.12160	0.9
199.13286	1.3
201.11235	0.4
207.10179	0.4
208.03900	0.2
209.11772	100.0
210.12120	6.7
211.13336	2.7
219.06432	0.6
223.13351	0.4
225.11316	1.4
227.12857	10.4
228.13104	0.6
235.08188	3.0
236.08667	0.3
247.20679	0.8
253.09261	12.2
254.09584	0.6
263.20108	0.8
265.18033	0.4
267.53146	0.3
273.18591	0.7
291.19666	15.7
292.20041	1.2
293.21262	2.7
294.21591	0.4
309.20715	33.8
310.21085	2.9
399.10870	0.7
409.19482	0.3
433.20819	0.3
445.20584	1.0
450.81772	0.3
463.22562	0.3
498.03271	0.3
545.29657	0.5
596.90045	0.3
772.54730	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	1.5
58.00459	1.0
58.55084	0.7
59.01252	15.8
61.98704	5.1
62.09020	0.8
69.03336	1.0
70.06982	2.7
71.01258	24.0
72.99181	0.7
73.02841	4.4
78.95781	2.8
80.02582	0.8
81.03332	1.3
83.01275	1.4
83.04913	3.4
85.02827	3.9
85.92780	0.7
87.00745	2.3
89.02322	3.6
91.90044	0.7
95.01257	1.7
95.04897	2.8
97.02836	2.4
97.06439	0.9
98.19943	0.8
99.00771	1.6
101.02348	6.9
107.48539	0.7
109.06464	6.5
111.00753	1.3
111.08041	3.1
113.02354	3.8
113.09612	0.8
113.91228	0.7
125.09615	2.9
127.11189	2.1
135.08034	0.9
137.09598	1.0
143.03456	1.8
145.05066	0.8
147.04755	0.8
149.09544	1.2
151.11320	0.8
152.99516	1.2
155.10690	1.6
161.04437	2.3
161.09776	0.8
163.11244	5.6
165.09111	1.3
167.10747	1.4
171.10194	44.7
172.10542	1.5
177.12782	1.2
179.10684	0.7
179.14375	1.1
181.12253	3.2
183.10167	0.8
185.11758	2.5
189.09132	1.1
195.13860	9.7
196.14201	1.4
197.11778	3.3
199.09850	0.8
199.13344	1.3
201.11275	20.1
202.11667	1.0
207.10208	19.7
208.10660	1.1
209.11777	30.2
210.12146	3.2
211.13341	1.0
213.28455	0.8
215.12799	2.0
223.13388	7.4
225.11285	29.3
226.11610	1.8
227.12791	3.6
235.08200	3.2
243.12337	2.0
247.20349	0.7
253.09279	20.7
254.09569	0.8
275.20135	7.9
291.19684	19.9
292.19946	1.9
293.21240	100.0
294.21573	9.5
295.10364	2.3
309.20749	3.0
311.22223	2.4
355.03592	0.8
443.19284	2.8
461.20377	5.6
477.31854	1.0
479.21387	1.6
529.29773	0.9
622.09387	0.8
737.41541	4.1
755.42212	5.0
756.43219	1.2
766.42896	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82671	1.8
59.01251	20.6
62.27345	1.7
69.41193	13.4
71.01251	25.0
72.99167	3.4
73.02818	11.8
75.00745	26.8
83.01293	2.2
85.02814	12.0
89.02316	15.1
92.22354	2.0
92.90573	1.9
95.01286	2.7
96.34741	2.1
99.00760	51.8
101.02323	7.7
108.02035	3.6
108.81669	2.0
109.02839	3.3
113.02360	16.3
117.68871	1.7
121.10097	3.2
123.04420	1.8
131.03377	5.1
135.04488	2.0
149.04449	4.8
152.01042	7.2
161.02328	2.9
161.04463	4.1
165.09065	3.7
172.46860	1.9
183.75099	2.1
191.05518	7.6
243.69847	1.8
297.08270	2.2
315.07184	2.9
462.47073	2.0
477.19583	4.6
736.42841	2.1
757.27582	100.0
758.27795	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.5
57.03311	2.4
57.29110	1.3
58.00460	3.3
59.01249	62.5
60.99161	4.6
61.98701	17.3
71.01253	47.8
71.51573	2.1
72.99177	15.8
73.02803	7.2
75.00742	8.8
75.36411	1.3
83.01243	4.9
85.02824	12.8
87.00744	3.8
88.98680	25.4
89.02319	29.4
91.00226	7.1
93.03319	9.4
95.01253	5.2
96.95860	1.7
99.00762	1.8
99.04395	33.6
101.02314	23.4
103.44791	1.3
108.02055	2.6
109.02782	2.0
111.04373	1.7
113.02330	22.1
117.03364	13.7
119.03529	8.8
119.04912	70.0
120.05240	2.1
121.02834	7.8
121.06481	2.6
123.04386	4.1
123.12444	1.5
131.04907	2.4
132.05667	5.4
133.02853	20.3
133.06479	27.5
134.03551	3.0
135.03554	1.8
135.04413	18.5
136.01512	1.4
137.01376	1.9
137.02338	17.7
138.01826	5.2
139.03917	1.6
145.02853	78.7
146.03244	1.8
147.04393	4.9
149.02406	1.8
149.05922	3.1
151.00246	1.9
151.03816	1.8
153.05513	1.4
159.04370	2.8
160.01591	1.9
161.02357	43.5
161.04608	3.4
161.05988	58.2
162.02779	4.1
162.06268	2.9
163.03923	81.2
164.04210	3.9
165.05336	1.4
173.02370	2.7
175.03938	4.3
177.05478	21.4
179.03433	17.0
179.05090	2.4
179.05504	2.4
187.03926	5.7
187.07550	2.5
188.04330	1.7
189.12805	8.5
190.02364	1.3
200.03409	8.0
202.06316	2.3
205.04994	49.9
206.05420	2.8
207.13846	46.2
208.14180	3.1
209.11755	2.7
217.04837	1.4
231.10129	3.0
233.04321	1.4
235.06105	24.6
249.11354	1.8
251.12862	100.0
252.13235	8.5
265.07150	56.7
266.07388	4.7
269.13846	3.8
289.56589	1.3
307.08270	2.6
325.09250	26.8
326.09525	1.9
337.08875	1.3
424.92017	1.4
431.19199	69.3
432.19601	9.0
450.65527	1.6
473.32605	2.7
501.32043	4.9
503.33905	3.3
517.31641	8.0
518.31915	3.5
533.23645	2.8
535.25818	0.9
535.32867	16.1
557.22333	3.6
577.22937	80.4
578.23096	15.9
595.23938	2.1
596.23840	1.9
611.25415	12.2
612.26349	2.6
719.25500	10.1
720.25867	3.7
721.26294	4.8
757.29211	80.7
758.28101	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20420	2.4
55.01745	4.9
57.03325	6.5
58.00476	4.0
59.01252	97.5
59.97378	2.6
61.98705	44.8
71.01252	76.3
71.04903	4.3
72.99171	8.9
73.02814	8.0
75.00749	26.9
78.91766	3.9
81.03314	4.7
83.01260	12.6
85.02828	16.3
87.00759	5.4
88.98664	2.6
89.02316	45.8
91.05480	2.5
93.03337	34.7
95.01276	9.5
95.04918	6.3
96.95911	6.8
97.06476	5.4
99.00752	6.8
99.04394	9.6
101.02325	44.5
105.06983	2.9
106.04132	9.2
107.04916	7.9
108.02054	6.5
109.02824	8.5
109.06458	9.6
113.02328	26.2
117.03381	5.3
119.03397	17.2
119.04891	16.0
121.02801	4.2
121.06482	87.3
122.03591	3.2
122.06851	3.9
123.04395	8.1
125.02419	3.3
131.03369	3.0
133.02884	3.4
134.03650	3.9
135.04446	9.6
136.01526	4.5
137.02341	50.4
137.06001	4.5
141.05534	3.0
143.03401	4.8
145.02844	24.4
147.04327	2.8
147.11681	3.9
151.03853	3.4
152.01016	9.1
153.01846	4.1
160.01642	3.3
161.02336	12.9
161.04436	6.0
161.13277	28.2
163.03900	8.2
165.02000	2.6
165.05481	100.0
166.05937	3.5
167.03394	10.6
175.03941	6.9
177.01860	5.2
179.03407	21.7
179.05502	11.5
185.09567	3.8
185.13281	6.8
187.11200	57.7
188.11559	3.7
191.14459	2.8
201.12808	4.7
203.14374	6.9
205.12271	43.8
209.04451	3.6
229.12276	23.7
230.12550	3.0
231.10251	5.4
239.05515	2.8
247.13368	9.9
249.11307	43.2
250.11569	2.9
265.07114	3.3
271.15378	4.3
273.11374	6.6
277.14706	3.5
281.06659	11.7
283.01999	2.6
285.03809	3.1
289.16605	47.4
291.12576	13.5
307.08185	7.4
321.13751	5.8
337.09244	4.9
345.12091	14.3
351.14417	31.1
375.20193	3.4
385.18805	4.7
411.16635	38.8
419.09842	13.9
429.17700	43.4
430.18060	3.8
449.10852	10.2
450.11133	3.0
460.15640	3.1
471.18600	10.4
501.20013	13.5
517.32031	3.9
531.20856	54.4
532.20996	8.0
533.24316	13.3
534.23938	3.2
535.32678	3.2
577.22760	23.1
578.23279	3.6
591.22980	52.8
592.23706	8.2
695.28735	8.6
713.30396	3.8
757.29419	76.9
758.29614	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	757.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.5
57.03325	1.8
58.00467	3.6
59.01250	100.0
59.22914	0.4
60.01574	0.9
61.98702	0.5
63.63857	0.4
69.24452	1.1
69.24865	2.6
71.01254	67.2
72.01607	1.2
72.99182	4.8
73.02824	2.7
83.01263	3.0
85.02821	11.6
87.00768	3.3
89.02317	79.7
90.02655	1.1
93.15521	0.4
95.01258	4.1
99.00755	0.7
99.04449	0.7
100.71423	0.4
101.02322	32.2
107.03387	0.8
111.00733	0.5
113.02331	27.4
114.02666	1.0
119.03387	30.9
120.03705	0.7
124.59785	0.4
125.02337	0.9
128.70711	0.5
130.29251	0.4
131.03387	5.4
143.02385	0.7
143.03400	8.7
149.04460	3.7
156.61128	0.5
161.03236	0.8
161.04466	11.5
179.05533	50.0
180.05861	1.7
202.87801	0.5
239.07477	0.5
268.34650	0.5
405.26208	0.9
437.30347	1.6
439.28433	0.6
453.29544	0.6
473.31302	0.5
487.30911	0.6
497.26257	0.5
505.31027	1.7
517.31696	10.7
518.31683	1.9
535.32794	4.8
536.32599	0.8
551.79462	0.5
757.31390	7.6
758.30353	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.7
62.61933	2.7
67.76560	3.0
71.50222	5.1
78.95780	61.9
94.47124	3.0
96.96851	5.0
118.32206	3.3
152.98325	6.0
152.99493	72.7
171.00565	7.1
177.67032	2.9
195.13820	13.0
202.89113	3.3
217.00233	11.9
220.27338	3.2
223.13342	9.2
227.03264	5.1
253.21704	34.4
255.23271	6.0
269.21112	5.5
275.20135	5.8
291.19760	4.3
292.20096	3.0
293.21179	57.4
294.21594	3.0
358.88660	3.0
374.99130	7.3
457.04883	3.0
510.36179	3.5
521.25208	100.0
522.25507	15.0
608.64160	3.5
757.46533	53.5
758.47363	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	759.272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.4
61.57174	0.1
61.98689	0.1
69.34898	0.3
69.35323	0.5
71.01254	0.3
73.02827	0.2
81.03342	0.4
85.02845	0.2
89.02314	0.3
93.03358	0.4
95.58328	0.1
98.25760	0.1
99.00766	0.8
101.02319	0.2
108.02045	0.8
109.02833	0.9
110.04240	0.1
113.02342	0.3
119.01222	0.3
136.01575	2.2
137.02342	100.0
138.02678	2.9
149.04395	0.1
177.01851	0.1
191.05490	0.1
233.06853	0.1
281.06683	0.2
299.07806	0.4
459.18762	0.4
477.19635	0.8
478.19650	0.2
556.58911	0.1
621.24103	0.3
759.27094	11.5
760.27429	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	759.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.2
59.01248	2.3
61.98701	14.8
63.42920	0.2
65.03818	0.7
65.11994	0.2
70.00431	0.8
71.01254	2.5
72.99166	0.4
73.02801	0.7
75.00744	0.6
85.02837	1.1
87.00749	0.3
89.02309	1.3
93.03333	49.5
94.03639	1.0
95.01257	0.3
96.95913	0.3
98.19913	0.2
99.00771	1.5
99.04395	0.3
101.02332	1.4
108.02044	0.4
113.02338	1.6
117.03331	0.3
119.03455	0.3
119.04926	0.7
121.02911	0.4
123.04395	0.3
132.02049	0.2
133.02855	0.5
134.03659	0.5
135.04390	0.9
137.02341	100.0
138.02663	4.0
145.02858	1.1
149.02332	0.3
149.04462	0.4
150.03093	0.6
153.01842	0.2
160.01567	0.7
161.02382	1.2
161.04471	0.5
163.03914	0.5
165.05464	0.9
167.03375	0.3
175.03888	0.7
176.04660	0.4
177.01913	0.4
179.03439	0.8
179.05508	0.3
191.07092	0.3
193.05020	0.4
195.06635	0.3
235.05995	0.5
265.75128	0.2
283.10342	0.2
363.11865	0.2
459.18954	0.5
477.19873	0.9
561.29700	0.3
563.24915	1.4
621.24084	0.6
696.29803	0.5
723.34357	2.6
724.34552	0.3
759.26752	3.5
760.27759	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36056	0.2
59.01249	3.9
61.98730	0.3
65.03825	0.5
65.87878	0.2
69.58598	1.3
71.01254	4.8
72.99174	0.7
73.02815	2.9
75.00747	0.3
85.02813	1.9
87.00744	0.3
89.02316	4.6
93.03333	100.0
94.03667	3.2
95.01261	0.8
97.02834	0.3
99.00757	11.0
100.01080	0.3
101.02333	2.4
109.69563	0.2
113.02327	5.6
118.53596	0.2
119.03384	0.5
121.10107	1.5
125.02357	0.4
131.03380	1.2
137.02341	59.7
138.02676	1.9
143.03432	0.6
149.04446	3.9
161.02361	0.4
161.04472	2.0
162.32684	0.2
165.09099	2.8
176.60342	0.2
179.03462	0.2
191.05544	3.5
194.22957	0.2
207.10170	0.7
208.03288	0.2
233.06593	1.9
237.11258	1.2
293.08801	0.8
297.13474	2.1
312.39258	0.2
339.14508	0.5
345.15402	0.4
381.15433	0.4
441.17807	0.3
459.18719	8.3
460.18967	1.0
477.19748	15.9
478.19940	1.7
501.19373	0.3
519.20929	1.2
543.20636	0.5
616.90063	0.2
621.24121	2.8
758.31171	0.3
759.27057	12.5
760.27612	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	759.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.5
57.03309	2.7
59.01248	14.8
61.98699	1.5
68.05686	1.5
69.03336	1.5
70.54682	4.5
71.00901	2.0
71.01257	23.8
71.06499	1.4
72.99179	10.7
73.02826	8.6
75.00747	32.8
83.01236	4.2
85.02831	10.0
87.00744	3.2
89.02335	7.3
95.01279	4.4
97.02816	3.0
99.00752	11.3
101.02325	17.8
101.59216	1.4
113.02331	15.8
119.03372	2.3
125.02389	2.1
137.02327	2.0
143.03336	1.6
161.04501	4.3
163.03801	1.6
185.11879	2.5
297.08145	1.9
303.17938	3.2
329.16019	3.2
347.17203	9.3
412.49289	1.6
461.20233	10.7
462.20950	2.0
479.21353	13.6
495.94046	1.5
759.29309	100.0
760.29718	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.7
60.99179	17.5
61.98699	2.8
71.01260	0.3
72.99174	0.3
85.02837	0.3
87.00742	1.0
88.00279	1.6
88.98680	100.0
89.02316	3.3
89.99036	1.4
96.95871	0.3
98.19768	0.5
102.99538	0.2
109.06519	0.2
111.00663	0.2
113.02325	0.4
133.02843	0.7
135.04353	0.3
154.27010	0.2
161.02354	0.6
171.10149	0.5
172.87611	0.2
179.03409	0.5
207.10158	0.3
281.77423	0.2
337.34000	0.2
564.31909	0.3
678.50085	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78614	5.6
59.01260	9.4
61.98691	19.8
64.10130	5.4
70.65919	12.7
78.95772	100.0
89.81062	5.7
92.38676	5.1
96.43161	5.4
96.96821	8.6
112.47353	5.4
120.16679	5.1
121.81197	5.6
152.99475	53.4
159.34938	5.3
197.11627	8.8
197.48538	5.4
209.11775	54.9
211.13348	13.9
227.12769	15.3
235.08148	10.4
253.09224	7.3
277.21680	75.9
278.21924	6.4
293.21146	8.3
295.22574	6.7
311.22171	27.3
390.31183	6.3
447.21396	33.6
448.22000	7.2
465.22559	10.8
657.22528	6.1
759.44275	63.4
760.44159	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	759.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	26.6
71.52308	8.5
78.95774	81.6
113.02269	5.4
121.14410	5.6
152.99460	38.2
171.10193	6.3
172.55438	5.2
209.09846	9.6
209.11778	100.0
211.13303	8.5
227.12863	14.6
253.09216	6.1
277.21741	59.0
293.21237	10.9
311.22290	18.9
447.21356	22.4
759.44232	53.7
760.44415	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	759.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47748	4.0
59.01248	10.5
69.60447	8.5
69.60841	12.8
70.36003	4.3
78.95776	71.4
79.37104	4.5
96.96822	4.3
152.99475	82.0
164.66550	4.2
169.34119	4.2
171.00574	9.4
195.00592	4.2
195.13838	35.5
227.03288	6.5
239.03662	4.0
253.21785	26.6
255.23280	48.9
277.21619	19.0
279.23386	5.5
293.21164	14.9
294.21851	6.2
295.22781	87.5
309.96393	4.8
331.79333	4.3
331.83569	5.1
346.42468	5.2
356.73611	5.0
522.25342	8.4
523.26709	100.0
524.27295	5.8
622.85303	5.8
759.48090	97.5
760.48340	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	760.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
66.08724	0.3
66.82238	0.2
70.71654	0.9
80.96407	0.5
110.38087	0.3
125.45166	0.3
139.11195	0.2
152.99438	0.3
225.00665	0.4
253.21831	0.3
255.23454	0.3
412.64316	0.3
569.25604	0.3
761.38586	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.5
59.01250	7.2
60.99171	1.1
61.98703	5.3
71.01256	11.2
71.52318	0.6
72.99188	1.4
73.02811	0.8
74.56488	0.4
78.95773	0.6
79.62565	0.5
83.01276	1.4
83.02386	0.5
85.02819	8.1
87.00284	0.5
87.00767	1.4
88.98670	6.2
89.02313	3.0
93.03343	1.6
95.01283	2.5
95.50185	0.5
96.95893	2.3
101.02347	2.9
105.03341	1.1
107.04945	0.6
108.02063	5.4
113.02331	12.1
114.02666	0.6
117.03355	1.5
119.03429	0.8
119.04904	1.1
121.02829	0.7
123.00821	0.5
123.04420	4.2
124.28817	0.5
125.02350	0.6
132.02090	3.0
133.02853	46.7
134.03487	1.1
134.03758	0.9
135.04436	7.2
136.04778	0.8
137.02344	7.2
145.02876	2.9
147.04362	0.8
151.03889	1.5
152.01044	9.6
159.04436	0.5
160.01521	0.6
161.02353	100.0
162.02696	4.2
163.03972	0.8
166.02602	0.7
167.03413	14.9
171.10199	0.5
173.06010	1.2
175.03946	1.0
177.01849	0.8
177.05510	0.8
178.65971	0.5
179.03389	5.7
181.04976	0.9
182.05460	0.4
187.07549	5.5
190.06255	0.7
193.04974	0.7
201.05510	1.7
202.06300	6.7
203.03474	0.8
203.06696	0.5
208.65460	0.4
209.11783	1.1
213.09071	0.6
220.07460	0.6
231.10179	6.5
245.04369	0.9
249.11485	1.0
287.22314	0.7
299.01996	1.2
307.08188	0.7
325.09283	0.5
411.16467	1.2
431.26208	1.6
449.27411	4.0
453.20825	0.6
517.31909	0.7
557.22449	4.7
581.21649	0.8
581.29926	0.9
599.23468	9.1
600.23669	1.0
623.19525	0.6
669.41956	0.6
719.25781	1.0
723.32898	0.7
743.25665	1.7
761.26324	43.3
762.26428	8.1
789.34357	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	0.2
59.01255	1.0
61.98701	2.0
65.03821	0.7
68.12466	0.1
68.82051	0.1
68.99688	0.2
70.12293	0.4
71.01257	1.2
72.99174	0.3
73.02811	0.3
83.01246	0.3
85.02834	0.7
87.00763	0.2
88.98682	0.2
89.02334	0.3
93.03333	46.2
94.03661	1.3
95.01247	0.2
96.95901	0.7
98.20453	0.1
99.00772	0.3
101.02329	1.0
107.04935	0.1
108.02058	0.5
108.04543	0.1
109.02833	0.2
109.89861	0.1
112.29148	0.1
113.02349	0.7
117.03366	0.2
119.03413	0.1
119.04889	0.1
121.48750	0.1
123.04445	0.2
133.02864	0.2
135.04440	0.4
136.01572	0.4
137.02341	100.0
138.02670	3.9
145.02878	0.5
150.03058	0.2
152.01070	0.2
153.01842	0.2
160.03940	1.1
161.02336	0.5
161.04460	0.2
163.03889	0.3
167.03416	0.2
175.03928	0.2
179.03423	0.3
181.05055	0.2
209.11743	0.2
281.06689	0.2
281.88654	0.1
281.91742	0.1
347.17154	0.2
433.11301	0.2
461.20181	1.3
462.20480	0.2
479.21222	1.5
480.21725	0.2
623.25177	0.6
761.28693	5.0
762.29077	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.1
59.01252	0.5
61.98708	0.2
63.01020	0.1
65.03837	0.2
67.39835	0.1
69.03330	0.1
69.37322	0.2
69.37742	0.3
71.01254	0.4
72.99181	0.1
73.02824	0.2
74.50462	0.1
81.03320	0.4
83.01265	0.1
85.02847	0.3
89.02316	0.2
91.01797	0.1
93.03336	0.6
95.01241	0.1
96.95911	0.2
98.19707	0.1
99.00773	0.1
101.02333	0.4
108.02060	0.8
109.02853	0.9
113.02360	0.3
119.01292	0.2
119.04963	0.1
123.04447	0.1
136.01573	2.3
137.02344	100.0
138.02678	3.5
149.02658	0.1
161.02423	0.1
185.11771	0.1
209.81105	0.1
299.07761	0.3
299.11032	0.1
345.15878	0.1
347.17136	0.2
352.30045	0.1
399.78168	0.1
461.20157	1.0
462.20749	0.1
479.21301	0.9
623.25305	0.4
668.03406	0.1
703.73865	0.1
761.28729	9.1
762.29004	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	761.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.4
57.03327	0.5
59.01044	0.2
59.01256	2.6
61.98700	2.3
65.03827	0.7
69.03333	0.3
69.16380	2.3
69.16785	0.4
71.01259	4.3
72.99187	1.6
73.02810	2.2
83.01282	1.6
85.02834	2.5
87.00779	0.6
89.02345	0.9
89.86095	0.3
91.55376	0.3
93.03336	100.0
94.03674	2.9
97.02826	0.9
98.19833	0.5
99.00764	1.7
101.02326	5.0
109.02766	0.3
111.00800	0.3
112.01534	0.4
112.93687	0.3
113.02351	4.0
117.03344	0.5
119.04904	1.9
125.02320	0.7
127.00285	0.4
131.21555	0.3
137.02347	58.7
138.02722	1.9
143.03384	0.5
145.02875	1.0
150.03133	0.4
161.04462	1.3
163.03947	1.4
185.11755	0.6
223.05956	0.4
237.14851	0.3
262.48099	0.3
289.05746	0.6
303.18118	1.0
323.73575	0.3
329.16061	0.5
340.89090	0.4
347.17065	1.9
389.18454	0.4
461.20288	23.1
462.20633	3.0
471.13370	0.6
479.21317	24.8
480.21695	2.8
503.21848	0.5
521.22137	2.5
522.22675	0.5
545.22565	1.2
605.24597	0.4
623.25500	4.1
624.26453	0.6
681.19238	0.3
718.95459	0.3
761.28833	20.0
762.16376	0.5
762.29279	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	761.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87843	0.5
54.73219	0.5
55.01746	2.8
57.03330	3.3
59.01251	15.4
61.98693	2.9
67.01756	0.6
69.03322	2.1
69.52319	3.9
71.01253	31.4
72.99182	18.4
73.02820	11.7
75.00735	1.4
81.03321	1.2
82.95271	0.9
83.01272	5.5
83.02380	14.0
84.01919	0.9
85.02824	17.1
85.99952	1.2
87.00745	1.8
89.02325	5.3
93.03322	1.8
95.01273	3.4
97.02837	4.0
99.00759	9.2
101.02322	21.6
103.95544	0.5
106.04120	1.6
107.04944	1.3
108.02066	1.3
109.02833	1.6
111.00788	1.7
111.04358	0.8
112.01536	2.5
113.02331	18.1
115.79295	0.6
119.03401	0.9
119.04910	3.1
123.04376	0.7
125.02328	2.2
131.03360	0.6
131.44020	0.6
133.02834	1.3
134.03543	0.6
135.04410	1.3
137.02361	7.6
137.05983	26.3
138.02701	0.8
138.06284	1.0
141.01778	0.8
143.03371	1.7
145.02856	0.8
145.17705	0.5
149.02348	1.3
149.04454	1.3
150.03105	4.2
151.00305	0.7
151.03889	0.8
153.05544	1.0
159.02917	1.5
161.02345	2.2
161.04469	6.1
161.05809	1.0
163.03879	1.1
165.01828	0.7
165.05467	5.2
166.02577	2.0
175.03943	0.8
178.02646	1.1
179.03407	1.6
181.01366	1.6
181.05023	2.8
185.11777	3.5
193.01427	3.5
193.04964	1.2
195.06598	3.7
196.03703	3.2
207.02954	1.3
208.03726	7.2
209.04233	0.7
211.06070	8.1
222.05275	0.8
223.06061	13.1
224.06479	0.9
237.14996	1.3
239.05524	3.2
241.07088	0.9
244.32832	0.6
303.18018	2.8
329.16107	3.9
330.64487	0.6
347.13235	1.2
347.17075	12.4
348.17514	1.4
373.13678	0.7
389.18262	0.9
403.15427	0.9
407.13419	1.9
419.13745	1.1
443.19229	1.0
461.20270	100.0
462.20621	13.2
475.00815	0.6
479.21320	42.4
480.21606	6.9
521.22485	1.8
581.25641	0.7
599.22443	1.1
623.26093	3.1
624.25781	0.8
761.31549	3.8
762.29797	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.0
60.99178	17.6
61.98702	2.0
64.75952	0.2
71.01256	1.4
72.99170	0.8
73.02814	0.4
75.00734	0.2
78.95764	0.3
85.02824	0.6
87.00757	1.0
88.00285	1.4
88.98679	100.0
89.02312	3.5
89.99017	0.9
91.09671	0.3
95.01266	0.4
96.95918	0.4
101.02334	0.6
106.28898	0.2
112.46629	0.2
113.02332	0.9
121.02791	0.3
125.02323	0.3
127.46617	0.2
131.89479	0.2
133.02827	1.9
135.04416	1.1
137.02376	0.4
146.27960	0.2
161.02345	3.1
161.04460	0.3
162.02640	0.3
171.10091	0.4
179.03406	2.6
201.11282	0.8
202.06392	0.3
203.03365	0.3
207.10272	0.5
209.11803	0.9
221.04468	0.3
227.13046	0.3
229.32280	0.4
253.09245	0.4
302.25949	0.2
341.23187	0.3
353.14130	0.3
529.15808	0.3
529.29810	0.3
699.34845	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	11.7
60.75140	1.4
61.98706	31.8
69.03294	1.8
69.11472	1.5
71.01241	9.1
78.95766	2.8
81.03313	1.5
83.01273	1.9
83.04889	3.8
85.02833	2.8
88.98692	8.5
89.02313	4.8
95.01261	1.6
98.20584	2.4
98.75056	1.4
101.02325	6.6
102.48168	1.4
113.02334	3.8
119.03413	2.2
133.02838	4.6
135.04408	8.4
135.08066	2.7
138.61087	1.4
152.99486	2.1
161.02353	12.9
163.11215	4.0
165.12703	2.3
170.48140	1.4
171.10170	3.8
179.03419	12.7
179.14297	1.8
195.13815	6.4
205.12262	8.4
209.11771	100.0
210.12111	5.0
211.13310	4.7
215.06975	1.4
223.13348	76.0
224.13690	4.7
227.12849	17.1
235.08197	3.5
253.09232	9.0
255.23221	2.2
309.20779	3.6
397.13394	2.1
416.15808	1.7
441.21497	2.9
445.20840	3.5
446.21146	1.9
459.22348	10.2
460.22522	1.6
621.18152	2.6
629.24139	1.8
633.32471	2.6
651.33228	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	761.415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.7
61.94738	0.6
61.98704	7.1
62.90413	0.5
63.96103	2.2
69.03316	1.0
70.76061	0.6
71.01251	10.0
73.02811	1.6
74.98245	0.5
78.98460	8.8
79.95605	14.6
80.96390	88.3
81.03329	1.2
83.01259	0.6
85.02827	3.3
87.00749	4.8
94.97963	20.0
95.01296	0.6
96.95891	1.2
97.02828	2.4
99.00755	0.7
101.02306	3.1
106.97958	3.3
122.97465	5.0
125.02330	4.7
127.03905	1.1
127.86502	0.7
134.97498	7.3
136.99030	1.6
148.99031	6.6
150.31395	0.5
152.98524	6.7
164.98538	15.8
167.00153	0.7
206.99609	4.5
216.39816	0.5
223.13353	1.2
225.00702	23.0
226.01053	0.8
255.23262	2.0
269.18323	0.5
307.44016	0.6
505.17477	3.4
537.27185	1.6
570.85803	0.6
644.58313	0.6
761.41461	100.0
762.41846	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44922	0.3
59.01247	1.0
63.96106	1.7
64.57665	0.3
69.03320	1.0
71.01250	9.2
72.99151	0.4
73.02825	1.8
76.37751	0.3
78.98463	7.7
79.95605	16.9
80.96389	91.5
81.03328	0.8
81.96323	0.5
83.01239	0.4
83.06905	0.3
85.02817	3.2
87.00761	2.9
94.97957	20.1
95.01336	0.4
96.95892	1.2
97.02827	1.2
99.00759	0.9
101.02318	2.5
106.97969	4.5
113.02293	0.5
122.97459	3.8
125.02326	3.2
127.03893	0.9
134.97473	5.9
136.99036	1.4
146.97470	0.6
148.99036	6.5
152.98544	6.5
164.98538	12.5
167.00000	0.4
188.98555	0.5
206.99608	2.9
223.13332	0.5
225.00699	17.7
226.01089	0.6
255.23242	1.5
283.04855	0.5
354.75754	0.3
505.17551	2.1
506.17511	0.4
537.27264	1.5
555.12408	0.3
761.41437	100.0
762.41785	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.9
63.96112	1.1
69.03349	0.8
70.20662	0.4
71.01247	7.3
73.02807	1.6
74.79708	0.5
75.15519	0.4
78.98460	6.3
79.95604	12.9
80.96391	75.0
81.03329	0.7
85.02837	2.3
87.00735	2.6
88.45519	0.6
89.10197	0.6
94.97964	16.7
96.95892	1.0
97.02805	1.3
99.00747	0.8
101.02316	2.0
106.97972	2.7
122.97492	3.4
125.02346	2.4
127.03888	1.2
134.97482	5.5
136.99037	1.4
146.97517	0.7
148.43567	0.5
148.99043	6.6
152.98543	7.0
164.98549	13.5
165.93964	0.5
167.00128	0.5
201.29539	0.4
206.99631	3.0
212.77074	0.5
223.13336	0.8
225.00705	20.6
255.23302	2.0
273.05313	0.5
306.53391	0.5
318.90771	0.5
505.17285	1.9
506.17325	0.5
522.67755	0.6
537.27222	0.9
634.49884	0.5
758.40448	0.5
761.41455	100.0
762.41711	28.5
772.68744	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61869	0.4
59.01255	0.6
62.10239	0.4
63.96099	1.8
69.03344	0.7
71.01252	9.6
71.01620	0.7
73.02821	1.6
78.98461	7.3
79.04625	0.4
79.95603	14.2
80.96391	86.4
81.03330	0.8
85.02825	3.6
87.00761	2.9
94.97967	18.6
94.98576	0.9
95.01289	0.6
96.95895	2.2
97.02813	2.2
98.20560	1.4
99.00745	1.2
101.02341	2.7
106.97996	2.7
109.02832	0.5
122.97476	5.0
125.02350	2.4
127.03853	0.7
134.97487	5.2
136.99051	1.8
148.99051	7.6
152.98537	7.4
164.98549	14.2
188.98540	0.6
206.99646	3.5
223.13408	0.8
225.00697	22.2
226.00789	0.8
229.38692	0.6
255.23262	1.9
283.04828	0.6
364.62698	0.5
465.53305	0.5
505.17499	2.5
537.27612	1.2
564.57281	0.4
761.41461	100.0
762.41809	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.3
60.08447	0.3
61.98702	100.0
67.75830	0.3
71.52328	0.4
73.55646	0.3
78.95780	0.8
80.96394	1.1
94.97984	0.4
135.05370	0.3
185.02251	0.3
201.32222	0.3
209.11719	0.4
240.43323	0.4
381.72421	0.3
421.23593	0.3
484.29175	0.3
526.63141	0.3
763.39905	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	763.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08149	5.1
78.95779	62.4
79.95614	2.1
96.95884	100.0
96.96835	84.4
98.20530	1.4
190.23720	1.6
259.02298	12.7
331.16385	1.2
417.53580	1.5
665.21332	1.9
733.48108	1.3
763.17657	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	763.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.0
58.00462	0.4
59.01251	9.2
61.98699	4.4
66.78075	0.4
71.01254	8.6
71.52171	0.8
72.99182	1.6
73.02818	0.8
75.00768	0.6
78.95793	0.8
83.01240	0.8
85.02821	7.7
87.00764	0.7
88.98682	1.8
89.02327	3.3
89.58900	0.4
95.01257	2.7
96.87666	0.4
96.95892	6.9
99.00774	0.7
101.02321	2.6
105.03399	0.5
109.02866	0.8
113.02342	9.8
117.03362	2.4
119.03374	0.6
119.04950	0.5
121.02848	1.2
123.04356	0.8
124.01524	0.4
125.02337	0.6
132.02066	2.9
133.02849	36.5
134.03664	9.8
135.04417	24.9
136.04756	0.6
137.02327	3.2
139.03885	1.9
143.03391	0.8
145.02855	1.4
149.02335	0.9
149.06021	1.0
150.03207	0.5
160.01572	1.4
161.02353	100.0
162.02702	4.2
163.03923	0.5
165.12755	0.8
173.02373	1.6
173.06003	3.4
174.01665	0.5
175.02560	0.5
175.03958	1.7
177.01794	0.6
177.05547	0.9
178.02621	6.4
179.03423	39.3
180.03810	2.2
187.06018	1.0
193.04993	15.0
194.05399	0.7
201.05515	13.5
201.09291	0.9
202.06267	5.6
203.03441	1.9
203.06636	0.7
209.11809	0.6
217.05145	0.5
217.08812	0.5
229.08708	1.8
233.04546	0.7
248.94154	0.4
323.07712	0.5
325.09253	2.2
405.95248	0.5
485.12961	1.9
487.14502	3.2
555.21411	0.5
584.34491	8.1
651.18982	0.6
652.19958	4.1
653.20422	1.0
731.25531	35.5
732.25830	9.7
763.38574	1.3
764.41003	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	763.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.9
60.99179	16.9
61.98703	2.1
70.90093	0.4
71.01255	1.6
72.99179	0.6
75.00732	0.2
84.98989	0.2
85.02805	1.3
87.00745	1.3
88.00277	1.1
88.98679	100.0
89.02313	4.1
89.99025	1.2
93.03315	0.3
95.01273	0.4
95.04906	0.3
96.95895	0.9
99.00747	0.4
101.02331	0.8
109.57487	0.2
113.02327	1.5
118.64100	0.2
119.04925	0.5
121.02834	0.5
123.04368	0.3
133.02864	3.7
134.03613	0.9
135.04416	8.1
136.04793	0.4
137.02341	0.7
137.41917	0.2
139.03920	0.9
145.02855	0.3
149.02338	1.0
150.03154	0.5
161.02351	7.9
161.04414	0.4
162.02721	0.6
163.03961	0.5
178.02596	0.4
179.03424	14.3
180.03775	1.0
193.04933	0.4
207.10101	0.3
209.11780	3.3
210.12209	0.5
227.12866	0.4
253.09128	0.3
268.30307	0.3
292.69925	0.3
293.21140	0.2
382.85974	0.2
443.40524	0.2
487.14667	2.5
488.14984	0.4
542.31653	0.2
623.36804	0.3
651.19495	0.5
652.20068	2.9
653.20868	1.2
654.21729	0.2
764.40912	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	17.1
61.86503	1.7
61.98703	48.0
69.03342	1.9
71.01249	12.5
71.07507	2.8
72.99203	3.0
73.02827	3.2
73.65461	1.8
75.00743	2.7
78.95755	3.1
80.02563	1.7
81.03345	1.8
83.04911	8.7
85.02816	3.8
87.00771	3.8
88.98681	12.5
89.02328	8.6
89.68064	1.9
93.03340	2.6
95.63077	2.6
96.95891	8.3
97.02831	4.0
99.00790	3.1
101.02349	6.3
109.06461	21.8
111.00806	2.1
113.02351	6.9
116.92715	2.0
121.02849	1.9
123.20653	1.8
133.02831	4.3
134.03622	9.5
135.04401	7.2
135.08057	3.4
137.02422	2.0
143.03410	2.4
149.02390	2.1
149.05934	2.2
161.02400	11.2
163.11186	15.8
171.10202	4.2
175.03976	4.4
179.03430	5.9
179.05283	2.0
181.12285	3.2
193.04999	21.9
194.05336	2.4
207.10217	56.1
209.11778	100.0
210.12114	7.1
211.13342	3.5
213.14896	2.2
221.11633	2.4
225.11259	22.8
226.11819	2.5
227.12860	16.8
235.08287	5.0
253.09286	5.9
255.23354	3.1
265.14432	2.6
313.03564	2.2
329.06647	2.6
354.71844	1.8
399.21689	3.6
417.22821	4.4
443.19043	3.7
461.20190	6.2
549.91821	1.9
635.30621	20.1
636.31049	3.2
653.31854	14.9
654.32062	3.9
671.32880	25.4
672.33167	6.2
763.29993	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	763.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01002	0.5
59.01243	0.6
63.96103	1.5
65.12139	0.4
66.79306	0.5
69.03309	1.0
71.01254	8.2
71.27686	1.0
73.02831	1.6
75.80682	0.5
78.98463	6.1
79.95611	13.8
80.96390	79.2
81.03320	0.8
83.94852	0.5
85.02824	3.3
87.00755	3.2
94.97961	16.0
95.01228	0.5
96.95860	1.3
97.02859	1.6
99.00748	0.9
101.02338	1.8
106.97960	3.2
109.06485	0.6
109.30236	0.5
122.37444	0.6
122.97476	3.1
125.02336	3.3
134.97470	5.9
136.99028	1.5
148.99040	7.1
152.98538	5.9
164.42592	0.5
164.98549	12.2
167.00089	0.8
206.99629	2.1
207.10196	1.0
225.00700	20.9
225.11177	0.5
226.01042	1.1
253.64362	0.5
255.23311	2.1
358.29788	0.5
379.72852	0.6
380.90683	0.5
451.25076	0.6
507.15350	2.9
537.27399	1.7
538.28156	0.5
540.39203	0.5
763.39398	100.0
764.39679	20.3
764.53638	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	0.5
59.01241	0.9
60.03492	0.4
62.03083	0.4
62.20432	0.4
63.96104	1.6
69.03326	0.8
70.25042	0.5
70.25362	0.9
71.01261	6.6
73.02810	1.9
78.98461	5.9
79.95603	14.1
80.96390	74.3
85.02824	3.0
87.00742	3.2
94.97959	16.4
96.95880	1.1
97.02805	1.5
100.96197	0.5
101.02332	2.1
106.97967	3.6
122.97473	2.0
125.02358	1.6
134.97482	4.9
136.99028	0.9
148.99055	5.6
152.98514	4.3
164.98544	8.2
185.83800	0.6
205.00455	0.5
206.99631	1.5
225.00696	11.3
255.23260	1.8
275.53644	0.5
281.00433	0.4
390.49561	0.5
493.13327	0.5
507.15469	1.4
537.27649	1.0
763.39374	100.0
764.39771	23.0
764.53632	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.5525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.3
61.98705	9.3
71.50817	2.5
78.95786	6.6
89.13793	2.0
99.90849	2.2
119.12434	2.0
121.10138	5.1
125.09547	2.2
135.04489	2.5
161.02388	3.4
185.11745	4.3
191.00159	2.0
259.47272	2.0
291.19687	49.9
292.20154	6.0
453.33600	5.1
471.34744	100.0
472.35089	19.0
598.41437	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	764.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.1
61.98704	100.0
62.98413	0.2
70.43703	0.3
71.01263	0.1
75.00703	0.1
98.20472	0.1
135.04369	0.1
161.02322	0.1
181.86546	0.1
200.03944	0.1
309.30334	0.1
329.60098	0.1
414.57025	0.1
427.14816	0.2
637.01630	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	764.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.4
57.03297	1.5
58.00484	2.6
59.01251	57.2
60.01591	0.7
60.99181	0.8
61.98703	18.9
61.99004	1.0
71.01255	49.2
71.04902	1.0
72.99184	5.7
73.02818	5.7
75.00755	0.9
77.28458	0.8
78.05065	0.6
83.01254	4.2
85.02827	15.0
87.00771	2.8
88.98684	1.9
89.02321	24.6
95.01257	5.0
96.95894	4.0
99.00784	3.2
101.02322	26.8
102.02700	0.8
103.08630	0.6
107.45472	0.6
111.08037	0.9
113.02332	17.6
115.07561	2.4
116.92779	1.1
119.03388	6.9
119.04857	3.5
123.04434	1.3
125.02364	1.1
131.03453	0.9
132.02007	0.7
133.02840	6.0
134.03644	1.8
135.04442	6.0
137.02376	2.3
143.03360	1.0
145.02864	1.8
149.02301	0.8
151.03963	1.3
156.10242	2.5
158.11792	7.7
159.02895	0.7
161.02342	12.3
161.04500	2.3
162.02716	2.8
163.03949	2.4
165.12769	4.3
170.12572	0.7
177.01872	2.2
179.03442	7.2
179.05553	1.5
180.03810	1.0
193.05054	2.4
201.05615	0.9
202.06096	1.1
209.11856	1.3
219.17496	5.5
227.13043	0.8
237.22118	0.8
262.21698	2.0
263.20197	1.3
305.39120	0.7
320.17102	1.4
437.31113	1.6
455.31857	1.5
486.27264	2.1
499.30600	1.3
517.31696	8.4
559.32648	3.6
584.34399	100.0
585.34735	17.2
721.38025	18.2
732.25861	3.5
733.26410	1.2
760.56915	0.7
764.40710	54.5
765.41217	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	764.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.4
57.03297	1.5
58.00484	2.6
59.01251	57.2
60.01591	0.7
60.99181	0.8
61.98703	18.9
61.99004	1.0
71.01255	49.2
71.04902	1.0
72.99184	5.7
73.02818	5.7
75.00755	0.9
77.28458	0.8
78.05065	0.6
83.01254	4.2
85.02827	15.0
87.00771	2.8
88.98684	1.9
89.02321	24.6
95.01257	5.0
96.95894	4.0
99.00784	3.2
101.02322	26.8
102.02700	0.8
103.08630	0.6
107.45472	0.6
111.08037	0.9
113.02332	17.6
115.07561	2.4
116.92779	1.1
119.03388	6.9
119.04857	3.5
123.04434	1.3
125.02364	1.1
131.03453	0.9
132.02007	0.7
133.02840	6.0
134.03644	1.8
135.04442	6.0
137.02376	2.3
143.03360	1.0
145.02864	1.8
149.02301	0.8
151.03963	1.3
156.10242	2.5
158.11792	7.7
159.02895	0.7
161.02342	12.3
161.04500	2.3
162.02716	2.8
163.03949	2.4
165.12769	4.3
170.12572	0.7
177.01872	2.2
179.03442	7.2
179.05553	1.5
180.03810	1.0
193.05054	2.4
201.05615	0.9
202.06096	1.1
209.11856	1.3
219.17496	5.5
227.13043	0.8
237.22118	0.8
262.21698	2.0
263.20197	1.3
305.39120	0.7
320.17102	1.4
437.31113	1.6
455.31857	1.5
486.27264	2.1
499.30600	1.3
517.31696	8.4
559.32648	3.6
584.34399	100.0
585.34735	17.2
721.38025	18.2
732.25861	3.5
733.26410	1.2
760.56915	0.7
764.40710	54.5
765.41217	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	764.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66423	0.6
59.01247	7.2
61.98701	16.6
69.06331	0.5
69.85836	0.7
71.01253	4.6
71.04859	0.7
71.52567	0.8
72.99159	1.1
73.02804	1.0
75.55861	0.6
78.95763	5.2
79.95617	3.0
83.02389	2.1
84.01917	0.7
85.02831	1.5
87.00735	0.6
88.93914	0.7
89.02301	1.5
96.95888	100.0
96.96786	7.4
97.01855	0.6
97.03936	0.7
97.95818	1.6
98.02355	55.8
98.03454	4.3
98.95467	6.3
98.96339	1.0
99.00762	11.1
99.01870	10.3
100.52663	0.5
101.02339	2.0
102.37157	0.5
113.02303	1.5
115.91967	0.8
117.00995	0.5
117.03303	0.6
119.04915	0.9
127.13361	0.7
133.02846	2.4
135.04388	1.7
137.02332	1.7
145.02852	1.7
145.44177	0.6
149.05998	0.9
150.03133	0.6
161.02353	3.0
179.03397	2.6
201.89244	0.6
208.98357	0.6
217.03059	0.6
227.98845	0.8
457.33218	1.5
485.32541	0.9
501.32281	2.0
503.33575	7.1
524.33679	1.0
542.34869	25.3
543.34991	5.0
584.35321	0.7
602.35504	0.7
623.20087	0.7
679.36835	2.5
680.37036	1.0
764.40259	2.2
765.36090	0.8
774.34100	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	22.7
59.54882	1.8
61.98701	38.0
63.68624	1.7
63.99079	2.1
68.33004	1.8
71.01256	2.4
78.95779	27.5
80.96387	9.6
81.03316	2.5
83.04899	7.7
95.04887	2.5
110.87151	2.1
118.63623	1.8
121.66088	2.2
125.09654	3.1
126.13136	1.9
138.52121	1.6
152.99509	5.1
163.11189	5.3
165.12741	4.3
168.04225	5.7
186.24132	2.2
191.10730	2.3
209.11774	100.0
210.12120	5.1
220.99097	2.1
224.06970	5.5
225.63029	2.1
227.12802	14.0
241.14445	18.8
255.23271	86.6
256.23575	8.6
438.44867	2.2
480.30850	4.5
619.36255	2.6
645.37988	2.5
690.43445	98.1
691.44067	26.7
692.30353	2.3
704.45007	8.0
764.39514	12.2
765.39508	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	765.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94017	0.2
59.01246	0.7
60.99178	16.5
61.98704	0.7
71.01234	0.4
80.40660	0.1
80.67290	0.2
86.16841	0.2
87.00755	2.4
88.00281	3.6
88.01099	0.3
88.98682	100.0
89.02317	19.4
89.99016	0.9
90.02617	0.2
101.02320	0.3
102.29699	0.1
104.56091	0.2
125.02316	0.3
209.11795	0.3
223.13416	0.3
230.72894	0.2
237.15208	0.2
253.09013	0.2
253.54480	0.2
259.13083	0.2
277.18445	0.1
277.21677	0.8
323.18451	0.2
397.13266	1.1
398.14447	0.2
404.88123	0.2
415.14594	0.4
451.98474	0.2
486.64462	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.5
60.99179	17.4
61.98705	1.8
70.80367	0.6
71.01259	0.4
78.95738	0.3
87.00766	1.4
88.00285	2.1
88.98681	100.0
89.02316	10.1
89.99024	1.1
101.02304	0.4
109.23737	0.2
113.02305	0.2
136.03627	0.2
152.99477	0.3
182.52370	0.2
223.13406	0.8
237.14943	0.3
277.21588	0.4
397.13809	0.5
410.85468	0.2
415.14713	0.3
450.13983	0.2
765.41052	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45331	0.7
54.96091	0.6
58.00460	0.8
59.01252	6.4
59.87733	0.5
61.98686	1.2
71.01254	3.1
71.04885	2.3
73.02811	4.7
75.00762	0.6
77.16956	0.5
85.02769	0.6
97.75143	0.6
101.02332	3.3
123.26553	0.6
131.11722	0.6
135.04378	0.7
377.28308	1.2
387.27444	0.7
395.29480	0.8
419.29623	1.4
437.30594	9.9
438.30856	1.4
455.31592	6.9
457.29639	1.2
473.32736	0.8
499.30597	9.6
500.30545	0.7
515.28253	0.7
517.31696	55.0
518.32037	8.3
559.32703	26.5
560.33167	4.7
679.36688	0.8
721.38037	100.0
722.38373	25.5
722.51129	1.4
767.49731	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	8.3
60.99173	1.5
61.98696	4.6
69.03303	0.5
71.01251	5.2
71.04900	0.5
72.99205	0.6
73.02821	8.2
75.00745	1.3
83.01244	1.2
85.02827	0.9
87.67573	0.5
88.98676	0.7
92.63744	0.4
101.02333	3.7
113.02334	1.1
116.92742	0.5
125.02370	0.7
133.02866	0.4
140.17001	0.4
145.02782	0.5
161.04422	0.5
179.03477	0.8
246.64650	0.5
247.61818	0.5
259.81110	0.4
314.96927	0.4
327.94632	0.5
379.30002	0.8
387.10172	0.5
391.30197	0.6
407.29391	1.0
409.31219	1.1
433.31134	1.3
437.30612	6.9
438.31497	1.0
451.32074	0.5
455.31686	16.7
456.31866	1.7
456.64868	0.4
471.31140	1.6
473.32495	0.8
499.30371	2.1
500.31464	0.5
513.32263	0.6
514.31293	0.4
517.31702	34.0
518.32019	5.2
559.32715	30.3
560.33020	4.4
566.81921	0.5
661.36053	0.6
679.36670	0.7
721.38031	100.0
722.38330	21.9
765.38635	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	765.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	1.2
55.23143	0.4
57.03320	0.8
59.01254	11.4
60.01561	0.6
60.99177	0.5
61.98706	16.8
71.01256	8.9
71.04874	0.8
71.51028	0.7
72.99174	1.6
73.02814	1.7
75.00739	1.5
83.01270	1.0
85.02824	4.4
87.00742	1.0
88.98701	1.0
89.02329	3.8
93.03351	0.8
94.50767	0.4
95.01286	0.8
96.95912	2.7
98.95477	0.5
99.00758	12.2
101.02329	6.3
111.00684	0.4
113.02329	5.3
114.02646	0.6
116.92718	0.7
117.01835	0.5
117.03342	0.8
119.03355	1.8
119.04911	0.5
125.02309	0.5
128.03482	0.6
129.01837	0.6
132.02019	0.7
133.02861	7.8
134.03281	1.9
135.04443	4.9
136.04697	0.7
137.02315	1.7
139.03908	0.6
145.02821	1.4
149.02414	0.7
151.03865	0.8
161.02359	12.8
161.04404	3.7
162.02702	3.9
162.32405	0.4
163.02805	0.8
163.03996	0.7
171.10254	0.5
174.01584	0.6
177.01871	2.2
178.02705	0.5
179.03400	7.6
179.05084	0.7
179.05550	0.7
180.03818	2.2
181.03949	0.6
193.04999	1.5
194.05341	0.6
201.05486	1.1
202.06068	1.2
203.06540	0.6
209.11691	1.3
261.06207	3.3
408.73987	0.5
409.31201	0.5
421.31107	0.8
439.31985	0.6
441.18335	0.4
441.33597	0.9
443.31851	1.1
457.33267	0.6
462.75290	0.5
485.32831	8.5
486.33221	1.9
487.34451	0.7
503.33783	100.0
504.34180	17.3
508.71222	0.5
543.33698	0.7
545.35028	2.4
584.34070	2.1
585.34668	8.6
586.35242	1.0
654.20532	0.7
665.39502	1.1
733.26178	5.5
765.40808	8.3
766.41272	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	765.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
61.35051	1.1
61.98705	89.0
70.29182	1.2
71.01255	8.4
72.99174	3.3
73.02804	2.0
74.30447	1.1
75.00743	3.6
78.95811	1.5
79.80733	1.1
83.04903	1.4
85.02827	3.8
87.00732	1.6
88.98685	3.6
89.02316	5.0
95.01274	1.7
96.95904	4.3
101.02329	4.0
107.04876	1.3
113.02323	4.6
119.03411	1.4
119.04900	2.4
123.04433	1.5
133.02876	6.3
134.03629	2.0
135.04413	4.5
137.02342	15.0
145.02853	2.5
149.02362	1.7
151.03886	3.8
158.41666	1.2
161.02354	8.0
161.04478	1.7
163.03917	3.5
171.10120	1.5
174.01634	1.6
177.01842	4.2
179.03432	7.7
180.03844	1.5
182.35274	1.0
209.11774	20.5
210.12183	1.5
227.12895	2.5
245.15768	1.4
380.02573	1.2
439.32147	14.4
440.32574	2.3
487.14648	1.2
503.33917	1.7
543.33264	2.6
561.24109	1.2
590.20129	3.6
663.37488	7.8
705.38495	23.7
706.38177	5.5
721.37537	2.6
765.38440	4.8
788.73126	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.0
63.96110	2.0
69.03344	1.1
71.01255	9.5
71.15086	1.1
72.99199	0.7
73.02811	1.9
78.98464	7.1
79.95602	16.1
80.96387	89.5
81.03351	1.5
82.95972	0.8
82.96852	0.8
87.00749	2.5
94.97961	19.8
96.95891	1.7
97.02830	2.0
99.00756	0.7
101.02330	2.6
106.97992	3.2
113.02314	0.6
122.97476	3.9
125.02320	3.5
126.47866	0.5
131.16533	0.5
134.97458	6.1
136.99028	1.7
141.35887	0.6
148.99025	7.9
152.98537	8.3
164.98543	16.3
167.00078	0.6
181.58032	0.6
206.99629	3.8
209.11824	2.4
225.00687	28.1
226.00861	0.7
255.23180	1.3
509.17023	3.5
537.27545	1.7
607.21240	0.7
765.40918	100.0
766.41290	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21907	0.5
59.01248	2.1
61.98692	2.5
69.03284	0.7
71.01264	1.2
78.95799	0.5
85.02818	0.7
89.02345	0.9
95.04909	0.5
97.06471	3.6
101.02326	0.9
108.01353	0.5
109.06470	0.7
113.02348	0.5
115.10335	0.5
121.10140	1.7
147.60057	0.5
161.02286	0.7
171.10135	4.8
177.12756	1.2
195.13857	4.1
203.10634	0.5
205.12263	1.8
209.11726	0.9
221.11789	1.8
223.13353	11.7
224.13692	0.9
229.12204	0.5
235.08234	0.9
235.13379	1.1
237.14857	0.6
239.12936	1.1
246.34599	0.5
247.13374	2.0
253.09280	1.5
261.18643	0.9
265.14496	0.9
275.20120	10.2
275.22916	0.8
287.16513	0.7
289.18088	1.9
293.21216	16.8
294.21591	1.4
305.17523	2.9
306.44727	0.5
336.18536	0.5
389.28421	1.1
391.30014	4.4
396.04752	0.5
405.31616	4.1
406.31863	0.7
407.33206	8.1
408.33069	1.0
423.28885	0.9
437.30789	0.7
439.32480	0.9
441.33896	3.6
442.33920	0.7
451.32175	9.9
452.32581	1.7
453.33731	51.5
454.28021	0.8
454.34058	7.4
459.22549	0.9
471.34787	100.0
472.35132	16.1
590.61707	0.5
672.15295	0.6
747.40100	0.6
765.41132	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13880	0.1
59.46643	0.1
59.94720	0.1
61.98702	100.0
79.20838	0.1
98.19834	0.2
113.02370	0.1
154.16179	0.1
201.05559	0.1
230.09511	0.2
670.96930	0.1
755.14514	0.1
755.28577	0.1
767.34985	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.5831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33387	1.4
55.30338	1.4
59.01237	1.9
61.98706	9.0
110.37988	1.4
165.00281	1.4
171.10226	14.2
197.11777	2.3
223.13358	2.7
229.48856	2.2
254.69240	1.6
277.21704	19.6
293.21210	2.4
295.22800	62.8
296.23154	5.5
307.22784	1.8
471.34811	100.0
472.35080	16.3
586.59528	1.8
648.96252	1.7
744.34491	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	768.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.2
59.94780	0.1
61.10241	0.1
61.98703	100.0
62.98405	0.2
63.69184	0.1
63.99577	0.1
64.15585	0.1
68.35188	0.1
70.37447	0.2
71.01289	0.1
80.96364	0.1
89.02322	0.2
95.51323	0.1
113.02317	0.1
120.99532	0.1
173.84102	0.1
768.33417	0.3
769.32483	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99895	1.0
58.55817	0.9
58.93157	1.2
59.01247	3.8
69.69952	6.4
71.01243	3.5
72.99176	1.3
83.01257	1.5
85.02827	5.3
95.01260	2.2
99.00771	1.9
107.01242	1.7
113.02349	6.2
134.06889	1.1
151.00270	3.3
158.74722	1.2
171.23019	1.2
175.02371	1.7
185.05995	2.4
211.03909	1.6
213.05342	1.4
214.59746	1.2
224.82352	1.1
227.03455	29.1
228.03839	2.0
229.04984	5.9
235.46065	1.1
236.63095	1.2
241.04965	2.0
255.02969	47.5
256.03510	6.7
257.04480	5.3
269.04459	1.4
284.03271	61.8
285.04007	67.1
286.04346	5.5
327.05292	1.5
514.77283	1.3
566.52411	1.2
585.42114	1.4
593.15118	100.0
594.15479	14.8
769.18329	19.5
770.18359	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	14.0
60.99186	1.2
61.98701	100.0
63.96102	0.9
69.03326	1.1
69.20455	7.0
71.01254	13.9
72.99155	1.6
73.02805	3.2
75.00720	1.6
78.95792	1.1
78.98457	6.0
79.95599	13.2
80.96390	71.4
81.03303	1.7
83.01244	1.0
83.04865	1.0
85.02815	6.3
87.00739	3.0
88.98682	3.9
89.02304	3.3
93.03327	0.8
94.97958	15.7
95.01241	1.1
96.95879	7.4
97.02797	2.4
99.00751	1.9
101.02337	6.7
105.01809	1.0
106.97947	3.6
108.02027	1.4
109.02855	0.8
113.02363	4.6
116.92754	1.0
117.01822	0.7
118.41143	0.9
119.04876	1.4
121.02785	1.3
122.97449	3.0
123.04388	3.4
125.02317	2.9
127.03907	0.9
128.03291	0.8
133.02831	2.7
134.03610	0.8
134.97472	4.5
135.04391	2.4
136.99007	1.6
137.02292	3.2
145.02824	2.3
148.99049	6.0
149.02350	0.9
152.01042	1.2
152.98541	6.2
153.05400	1.7
161.02367	4.5
164.98543	12.4
167.03340	1.2
175.03851	1.1
179.03351	2.5
206.99583	3.1
209.11751	5.2
220.34680	0.9
225.00697	22.7
230.09506	0.8
254.60884	0.9
291.19403	1.0
503.34000	0.9
504.34088	2.1
505.34070	2.4
509.16919	2.3
520.97778	0.8
541.19800	1.5
546.35101	1.1
547.35925	1.2
589.32080	3.1
590.32312	1.1
641.46564	1.1
677.34930	1.0
744.15027	1.1
769.33075	98.7
770.33557	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	769.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35181	0.4
58.00440	0.4
59.01249	3.2
60.98852	0.7
60.99175	17.1
61.98700	23.9
69.16298	1.0
69.16704	2.8
71.01256	2.4
72.99190	0.5
73.02802	0.5
74.98980	0.9
75.00742	0.9
80.96390	0.7
85.02834	1.3
88.98674	100.0
89.02316	1.8
89.99010	1.1
96.95887	1.6
98.20585	0.9
101.02328	1.9
103.00256	0.8
103.03910	0.5
113.02328	1.4
116.92731	0.4
119.03377	0.6
120.99539	22.6
123.04419	0.5
133.02831	0.9
145.02844	0.6
161.02347	2.1
441.33725	2.6
465.37759	0.4
485.32419	3.4
486.33124	0.7
607.32806	7.1
608.33453	1.6
679.36871	1.5
680.37146	0.7
769.41699	1.3
770.39471	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49982	0.4
55.01768	0.5
57.03320	1.0
57.50592	0.3
58.99475	24.6
59.01251	10.6
61.82296	0.4
61.98703	47.9
69.31767	1.4
69.32178	1.5
71.01256	14.9
72.99178	0.7
73.02824	4.1
74.98968	0.6
83.01254	1.7
85.02825	7.4
87.00751	14.1
88.98670	1.6
89.00700	0.4
89.02310	4.4
95.01276	1.2
96.95894	1.2
99.00751	1.3
101.02332	8.8
102.98476	100.0
103.98808	1.7
113.02330	6.9
113.79472	0.4
119.03393	1.7
120.99520	0.6
127.97533	0.4
133.02826	0.6
135.04440	0.5
159.02925	1.1
161.02457	2.0
161.04459	5.7
179.03371	1.0
179.05583	0.5
249.06100	4.6
283.04926	100.0
284.05252	5.9
353.13788	1.3
441.33542	0.9
485.33215	0.5
607.37183	2.1
725.27881	0.6
751.38940	0.5
769.38879	22.8
770.39111	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	769.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.8
57.03316	2.2
59.01253	8.9
61.98701	4.9
62.98249	0.7
65.20763	0.6
66.20338	0.7
69.03322	4.7
70.26791	1.9
71.01253	8.4
71.04887	1.8
72.99156	0.9
73.02827	1.8
75.00732	0.7
81.30485	0.7
83.01258	0.7
83.04912	1.4
85.02802	3.0
87.00736	1.7
89.02307	2.6
95.01305	0.6
95.04888	0.7
97.02837	2.0
97.06479	1.7
99.00777	1.0
101.02335	5.9
109.06481	1.2
111.04388	0.9
111.08028	4.5
113.02325	2.7
119.03410	0.7
123.08022	1.2
124.20027	0.5
125.09622	2.7
129.86615	0.5
133.02817	0.9
135.04399	1.7
137.09605	1.0
150.06616	0.6
151.11189	3.0
153.12750	2.6
161.02350	2.5
161.04434	1.4
161.09650	3.5
163.11133	0.9
165.12718	1.3
169.12270	1.7
171.10146	7.6
179.03363	1.7
179.10693	7.9
181.12238	1.3
185.11795	0.7
190.01630	0.7
195.13823	1.4
197.11765	82.9
198.12112	4.0
199.13354	0.8
201.11232	1.0
207.10168	1.6
209.11774	6.8
210.12056	0.8
211.13390	4.0
221.11783	0.8
223.09729	2.2
223.13358	8.2
225.11325	3.4
227.12822	1.2
235.08139	2.3
239.12782	0.7
241.10777	2.4
253.09247	5.8
263.20160	0.7
273.18552	0.7
278.21033	0.7
289.18112	2.1
291.19720	5.5
293.21204	1.6
307.19061	0.9
309.20724	5.9
321.11731	0.8
327.21680	7.1
477.19757	2.1
514.84540	0.7
652.12341	0.7
672.43939	0.6
751.40033	1.0
769.40173	100.0
770.40582	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	769.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	14.2
61.98703	9.9
69.03332	1.3
71.01260	5.8
71.51472	1.3
72.99153	1.1
74.80460	0.8
77.44833	0.9
78.95779	2.8
82.69261	0.9
83.04904	0.8
85.02832	1.6
88.70369	0.8
89.02291	1.5
96.19286	0.8
101.02316	1.7
109.06494	1.6
111.08012	1.2
113.02354	1.2
114.93279	1.8
116.92719	2.7
119.03200	0.8
126.26839	0.8
142.24117	0.8
152.99521	0.9
153.12737	1.5
161.04424	1.2
163.11232	1.2
169.12259	5.0
171.10310	1.8
195.13779	6.2
197.11766	100.0
198.12177	6.1
207.10088	1.5
209.11740	2.1
211.13420	1.7
223.13292	5.5
225.11229	1.1
235.08147	3.5
253.09271	16.1
267.19696	2.2
275.20111	3.8
291.19531	1.9
293.21228	66.6
294.21500	5.3
327.21756	1.3
433.21005	6.6
433.55881	0.8
529.30005	1.3
629.01196	1.1
704.44476	0.9
769.42786	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	769.438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.8
57.03325	2.5
59.01249	9.7
61.98709	1.0
69.03310	3.0
71.01257	8.7
71.04886	0.7
72.99232	0.4
73.02818	1.8
81.03339	0.7
83.01262	1.2
83.04904	1.2
84.94832	0.4
85.02828	8.1
85.06480	0.7
87.00756	2.1
88.43449	0.5
89.02319	4.2
93.44345	0.5
95.01263	0.6
95.04891	0.9
95.50335	0.4
97.02839	1.5
97.06455	3.4
98.20649	1.0
99.00802	0.5
101.02323	5.8
109.06487	0.6
110.03619	0.6
113.02341	3.5
119.03404	1.4
125.02294	0.6
125.09623	1.5
127.11180	1.6
128.06183	0.5
133.04996	0.6
137.09598	1.1
145.04955	1.0
145.69919	0.4
149.09564	0.8
155.10703	0.9
161.04433	3.2
163.11237	0.6
165.12872	0.9
167.10698	2.9
167.14308	0.6
168.11099	0.4
171.10188	20.5
172.10582	0.8
176.22968	0.4
177.12756	1.3
179.05510	1.0
179.10718	1.6
179.14384	3.0
181.12245	0.5
183.13853	3.1
185.11812	0.9
185.39058	0.4
193.12277	0.7
195.13853	10.7
196.14125	0.6
197.11761	1.3
201.11258	0.7
205.12274	11.3
206.12640	0.6
207.10184	1.0
209.11821	2.8
210.71992	0.5
211.13348	16.8
221.11748	2.8
223.13353	100.0
224.13715	7.2
229.14417	13.0
229.57883	0.6
230.14699	0.7
235.08202	13.2
236.08614	0.7
239.12823	1.4
253.09268	27.4
254.09647	1.8
273.18732	0.5
291.19675	6.1
307.38550	0.5
309.20709	14.1
310.21027	1.5
327.21768	100.0
328.22092	9.6
355.75989	0.6
370.34283	0.5
459.22406	14.0
460.22845	1.5
523.22858	0.5
533.34540	2.5
545.29681	3.2
546.29694	0.6
563.30841	7.4
564.30768	1.0
722.05225	0.5
769.42322	2.3
770.43329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06932	1.7
58.00456	1.8
59.01250	57.7
66.91203	2.0
69.03341	2.3
71.01254	27.3
72.99187	5.6
73.02820	14.0
74.11881	1.8
75.00748	57.0
83.01273	2.9
85.02824	10.7
87.00751	3.2
89.02321	21.0
93.03284	2.5
95.01255	5.3
96.17035	1.5
99.00760	52.0
101.02316	13.9
113.02325	23.9
119.03365	3.5
119.04923	1.9
121.10083	5.7
131.03386	4.9
135.04471	3.6
137.02371	3.4
145.02844	3.7
149.04462	7.8
151.00371	1.7
161.02319	2.3
161.04472	7.0
162.02638	1.9
165.09116	4.0
177.01768	2.0
179.03369	4.2
191.05508	8.3
192.03461	1.7
269.10242	3.8
285.04047	3.1
463.66705	2.3
477.19641	5.3
730.66479	2.1
771.29266	100.0
772.29767	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	771.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	4.6
58.00471	2.7
59.01249	25.0
60.99174	5.5
61.98705	14.5
69.03333	5.2
70.72626	3.5
71.01253	53.4
71.04881	2.4
73.02818	7.2
78.95789	3.0
80.02563	2.1
83.01249	2.5
83.04905	6.1
85.02825	6.9
87.00742	10.9
88.98679	35.5
89.02309	12.8
95.01268	3.1
95.04920	4.7
96.95901	2.8
97.02812	12.7
97.06460	3.0
99.00756	4.1
99.04386	2.4
101.02328	9.6
102.13722	1.9
106.64693	1.7
109.06483	13.4
110.03660	1.7
111.00717	2.1
111.08007	3.0
113.02341	7.0
125.06027	2.2
125.09602	9.3
127.11166	4.0
129.27689	1.7
135.08043	3.8
137.09601	3.3
143.03404	2.6
151.11186	2.4
155.10674	5.5
161.02345	2.2
161.04477	5.4
163.11205	16.8
165.09097	2.7
165.12770	8.7
168.75371	1.7
169.12273	5.5
171.10187	100.0
172.10489	6.0
174.25060	1.9
179.05383	2.6
179.10681	2.3
181.12274	7.6
183.13870	2.3
185.11742	9.1
189.09184	2.6
195.13988	2.0
197.11749	23.2
199.09755	3.4
199.13322	2.8
201.09877	1.0
201.11253	42.2
202.11684	3.6
207.10194	44.3
208.10503	2.4
209.11777	63.5
209.13765	3.0
210.12199	3.6
210.40367	2.1
211.13393	9.3
215.12840	19.3
222.34071	1.8
223.13405	3.2
225.11290	63.6
226.11623	5.0
227.12819	11.2
235.08185	7.0
243.12354	5.7
245.19060	2.9
247.20732	3.5
253.09256	35.6
254.09683	2.0
254.88451	2.1
273.18668	3.8
289.18091	8.6
291.19666	57.5
292.20145	4.6
293.21216	10.5
294.21606	2.6
295.10434	5.4
307.19095	7.4
309.20718	94.5
310.21146	11.7
327.21701	5.5
341.23459	3.5
369.44019	1.9
443.19150	3.8
461.20236	12.6
717.38599	2.3
735.39532	2.5
753.39954	10.9
771.41730	25.1
772.41803	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	771.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	1.1
57.03311	3.4
58.33899	0.8
59.00951	1.3
59.01244	17.5
61.64223	0.8
61.98679	3.5
69.03310	2.5
71.01259	10.8
71.38074	1.4
72.99188	1.0
73.02806	2.2
74.85962	0.8
79.10558	0.7
80.02541	2.6
81.03310	3.3
83.01273	1.1
83.04897	5.9
84.02020	1.3
84.55982	0.8
85.02826	13.3
87.00744	2.5
88.40015	0.7
89.02306	7.0
90.80406	0.7
93.03308	1.5
95.04893	1.0
97.02831	9.2
97.06445	3.5
99.00724	1.5
101.02316	10.0
107.04895	2.3
109.06472	40.1
110.06789	1.4
110.99978	0.9
111.00737	1.1
113.02340	4.9
119.03355	1.5
119.38721	0.8
121.06469	2.3
121.83291	0.8
122.98655	0.9
123.04401	1.5
125.09599	2.2
125.59533	0.8
127.11152	2.1
131.94080	0.8
133.04944	1.2
135.08025	4.6
136.05194	2.2
137.09621	2.9
142.02573	2.3
143.03444	1.0
145.05025	1.2
146.13683	1.0
161.04410	3.5
161.09561	2.4
163.11200	22.2
164.11517	1.5
165.12746	2.3
169.12122	1.3
171.10178	31.3
172.10538	1.4
176.01437	0.8
179.05525	1.1
181.12303	5.6
183.13800	2.4
185.11703	1.1
189.09105	2.3
193.12270	1.3
197.11803	7.1
199.13387	1.0
201.11195	1.5
207.10208	100.0
208.10562	6.2
209.11769	53.0
210.12085	3.6
211.13347	16.0
212.13644	1.2
221.11690	2.8
225.11266	38.2
226.11615	2.2
227.12856	7.0
228.13165	1.0
229.14409	10.1
235.06108	1.3
235.08212	13.6
235.13101	1.0
237.14903	2.1
239.12952	1.2
243.12186	1.4
253.09259	31.4
254.09499	1.1
289.18237	1.9
291.19675	4.8
299.14941	1.3
301.80377	0.9
307.18997	1.9
309.20721	9.3
325.20218	18.5
326.20465	1.3
327.21756	90.1
328.22122	8.9
406.09558	1.0
443.19113	5.8
461.20288	10.9
462.20447	1.5
517.31323	2.5
545.29675	2.0
563.31091	4.2
753.40649	3.5
754.41437	1.4
771.41675	41.3
772.42297	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	771.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96967	1.9
58.51914	1.7
59.01252	10.8
60.88423	1.6
61.98707	23.0
63.15155	1.8
71.01254	6.6
71.52019	1.8
73.39028	1.5
78.95775	11.2
80.02558	2.2
83.04897	4.5
83.77049	1.7
85.02814	4.2
101.02345	5.5
109.06491	3.5
120.55372	1.7
123.43324	1.9
144.01239	2.1
152.99535	2.1
157.41270	1.8
161.02296	3.3
161.04417	2.1
163.11156	2.9
165.12689	3.2
171.10187	6.2
195.13889	4.8
197.11790	4.0
201.11247	2.8
207.10205	8.1
209.11781	100.0
210.12111	6.2
211.13327	4.0
223.13411	5.7
225.11249	7.2
227.12845	10.7
235.08255	3.6
243.77454	2.1
253.09256	21.9
275.20151	6.1
289.17953	2.2
291.19647	5.3
293.21237	71.4
294.21585	5.8
327.21796	7.5
569.60516	1.9
755.36249	2.1
771.41370	8.7
772.42059	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	772.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.3
61.98704	100.0
62.98401	0.3
78.95775	2.1
96.95860	0.2
99.92467	0.4
110.98436	0.5
116.92757	2.3
117.92792	0.7
124.54886	0.2
152.99507	0.8
171.10201	0.9
174.12585	0.2
181.82883	0.2
182.43176	0.2
183.13872	0.2
189.87816	0.2
195.13744	0.3
197.11739	0.3
199.20480	0.2
200.45375	0.2
203.77507	0.2
211.13396	0.6
229.14716	0.2
235.21404	0.2
277.21780	0.2
293.21274	1.6
294.21536	0.2
295.22787	0.6
327.21887	0.4
329.23312	0.5
389.38016	0.2
457.40857	0.2
772.45905	0.6
773.46057	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	773.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	1.5
57.03311	1.7
59.01248	15.5
61.98701	3.0
69.03329	1.5
71.01256	23.3
72.99172	3.5
73.02816	9.1
81.03351	1.7
83.01257	3.6
85.02831	12.5
87.00741	1.7
87.88231	1.0
88.98679	1.4
89.02319	10.7
93.03333	22.6
95.01256	5.2
97.02832	1.6
99.00757	22.2
101.02326	10.6
107.04904	4.5
108.02052	75.8
109.02852	27.0
111.00734	1.0
113.02325	14.9
117.03352	2.2
119.03370	1.1
119.04916	4.5
121.02855	4.3
123.00777	2.8
123.04429	5.3
123.05243	1.0
125.02318	2.6
126.16596	1.2
131.03409	2.2
132.02103	2.1
133.02832	3.7
134.03651	4.2
135.04439	5.4
136.01559	1.8
137.02348	43.2
145.02835	4.4
149.02371	2.0
149.04472	3.7
151.00243	1.3
151.03917	4.2
152.01056	100.0
153.01843	32.3
153.05455	2.9
154.02199	1.3
160.01581	5.0
161.02385	10.0
161.04457	3.9
163.03902	5.1
165.01871	1.0
165.09154	1.7
166.02614	1.1
167.03412	6.4
175.03931	6.5
177.01808	1.6
179.03468	6.1
191.03458	1.4
191.05418	2.6
193.05014	3.1
197.04398	1.2
209.04482	1.5
221.04572	1.6
281.06610	18.1
283.10431	1.7
283.75415	1.0
297.06165	2.9
311.07736	2.1
315.07211	12.2
337.60956	1.1
351.69534	1.0
391.10361	2.3
421.11203	1.1
435.09299	54.1
436.09537	7.1
459.18494	2.2
465.10294	8.6
466.10498	1.2
477.10431	1.2
477.19577	3.2
489.23416	3.0
597.14648	33.6
597.24255	1.7
598.15240	5.2
627.15509	4.6
628.15442	1.2
773.17889	57.3
774.18707	15.6
790.33112	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	1.5
57.03311	1.7
59.01248	15.5
61.98701	3.0
69.03329	1.5
71.01256	23.3
72.99172	3.5
73.02816	9.1
81.03351	1.7
83.01257	3.6
85.02831	12.5
87.00741	1.7
87.88231	1.0
88.98679	1.4
89.02319	10.7
93.03333	22.6
95.01256	5.2
97.02832	1.6
99.00757	22.2
101.02326	10.6
107.04904	4.5
108.02052	75.8
109.02852	27.0
111.00734	1.0
113.02325	14.9
117.03352	2.2
119.03370	1.1
119.04916	4.5
121.02855	4.3
123.00777	2.8
123.04429	5.3
123.05243	1.0
125.02318	2.6
126.16596	1.2
131.03409	2.2
132.02103	2.1
133.02832	3.7
134.03651	4.2
135.04439	5.4
136.01559	1.8
137.02348	43.2
145.02835	4.4
149.02371	2.0
149.04472	3.7
151.00243	1.3
151.03917	4.2
152.01056	100.0
153.01843	32.3
153.05455	2.9
154.02199	1.3
160.01581	5.0
161.02385	10.0
161.04457	3.9
163.03902	5.1
165.01871	1.0
165.09154	1.7
166.02614	1.1
167.03412	6.4
175.03931	6.5
177.01808	1.6
179.03468	6.1
191.03458	1.4
191.05418	2.6
193.05014	3.1
197.04398	1.2
209.04482	1.5
221.04572	1.6
281.06610	18.1
283.10431	1.7
283.75415	1.0
297.06165	2.9
311.07736	2.1
315.07211	12.2
337.60956	1.1
351.69534	1.0
391.10361	2.3
421.11203	1.1
435.09299	54.1
436.09537	7.1
459.18494	2.2
465.10294	8.6
466.10498	1.2
477.10431	1.2
477.19577	3.2
489.23416	3.0
597.14648	33.6
597.24255	1.7
598.15240	5.2
627.15509	4.6
628.15442	1.2
773.17889	57.3
774.18707	15.6
790.33112	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	2.2
57.03318	2.8
58.00488	1.7
59.01249	42.7
61.98694	2.9
65.74181	1.1
67.01762	1.6
69.03339	2.1
71.01251	49.9
71.52023	1.1
72.99181	8.8
73.02815	28.1
75.00732	1.8
81.03330	2.4
83.01247	3.2
85.02347	2.1
85.02818	23.8
87.00744	3.9
89.02319	30.8
93.03343	7.4
95.01263	9.9
97.02834	2.5
99.00755	100.0
100.01081	1.6
101.02320	23.9
107.04919	15.8
108.02052	43.7
109.02860	21.2
111.00749	1.6
113.02325	43.6
117.03318	2.5
119.03382	3.8
119.04896	3.3
121.02823	1.6
121.10146	9.6
123.00734	1.5
123.04403	6.6
123.21227	1.3
131.03404	8.7
133.02861	2.4
135.04359	3.1
136.09656	1.1
137.02333	13.8
143.03444	2.5
145.02829	6.2
149.02434	2.0
149.04451	15.1
151.00259	1.8
151.03885	8.1
152.01059	45.7
153.01842	24.2
160.01575	1.9
161.02415	6.2
161.04446	12.5
163.03899	5.4
165.09129	12.4
167.03409	10.7
175.03957	2.0
179.03435	3.7
191.05530	15.3
195.02840	1.8
200.78168	1.2
202.45911	1.6
207.10161	2.7
209.04367	1.2
222.88548	1.2
224.86848	1.2
226.27831	1.2
231.44626	1.2
233.06657	4.4
237.11249	2.7
281.06631	3.9
283.10321	6.4
293.08826	2.0
297.06061	7.3
297.13409	3.4
303.41174	1.3
311.07703	3.8
315.07147	4.6
339.14499	1.4
345.15399	3.6
435.09192	11.8
459.18536	8.5
465.10400	26.6
466.10602	2.9
477.19806	23.2
478.20135	2.8
489.23157	7.2
507.24899	2.7
515.84271	1.5
593.22430	1.5
597.14154	4.9
621.24591	1.6
627.15631	9.8
773.19891	11.4
773.29730	66.9
774.18335	4.2
774.30670	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	773.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	3.1
57.03332	2.8
58.84048	2.6
59.01255	24.8
61.98705	67.8
63.99123	3.0
71.01257	22.1
72.99153	3.7
78.95780	4.1
83.01264	3.6
83.02365	3.4
83.04909	3.2
85.02813	8.3
87.00727	5.8
88.31896	2.7
88.98677	6.6
89.02325	9.9
93.03336	8.0
96.95887	9.7
96.96818	5.1
99.00699	6.1
101.02328	7.9
107.04887	3.1
113.02328	10.5
116.92714	5.4
117.92786	3.1
119.03394	3.1
127.69750	3.2
133.02820	7.0
135.04385	9.8
137.02328	8.6
145.02847	4.0
150.03036	3.4
160.01651	5.1
161.02393	13.2
163.03960	3.8
171.10159	9.7
179.03389	8.7
197.11450	3.3
199.13350	5.1
207.10107	3.4
209.11777	100.0
210.12018	7.0
211.13367	6.0
215.80119	2.7
218.33391	2.8
227.12839	41.9
228.13222	2.9
229.14331	5.3
229.60670	3.6
232.03339	2.9
235.08258	6.9
253.09216	11.3
257.07968	2.9
309.20822	5.3
311.48816	3.0
327.21701	24.8
341.43036	3.3
445.20724	9.3
463.21332	3.1
469.92297	3.1
545.29553	3.5
655.33099	3.3
773.37103	29.4
774.38928	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	773.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.4
57.03309	1.1
57.74440	0.6
59.01253	26.0
61.98702	9.6
65.96472	0.6
66.24400	0.6
71.00844	1.3
71.01252	27.2
71.31992	1.2
72.99178	2.7
73.02827	3.4
73.03215	0.7
75.00735	1.1
80.09112	0.7
80.96387	0.9
83.01253	3.2
85.02827	10.6
86.00017	0.8
87.00743	3.0
89.02314	7.7
89.38807	0.6
93.03329	6.7
95.01260	2.5
96.95870	1.0
97.02807	0.9
99.00751	1.6
101.02328	15.4
108.02062	1.4
111.00723	1.1
113.02344	11.1
117.03345	2.4
119.03410	3.7
119.04893	2.3
121.02845	0.9
123.04398	1.2
125.02322	2.2
126.12819	0.6
133.02841	2.6
135.04411	3.3
137.02339	7.3
145.02864	10.2
146.03156	0.9
152.01070	2.3
154.05412	0.7
161.02347	6.2
161.04460	1.7
163.03912	2.3
164.14767	0.7
167.03391	2.5
175.03836	0.8
179.03375	2.8
183.61836	0.7
205.05005	1.3
287.22238	1.6
375.20224	1.2
393.81604	0.7
403.27029	0.8
431.26553	2.5
433.28299	0.9
449.27521	8.2
450.28009	2.1
491.19577	1.6
533.19550	1.2
593.31586	3.1
611.32776	10.6
719.26324	1.6
755.36853	0.9
773.38214	100.0
774.38623	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	773.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.5
56.72171	0.8
57.03335	2.4
58.00463	3.4
58.95955	0.8
59.01250	54.1
61.98377	2.1
61.98703	43.5
71.01252	52.0
71.52541	0.9
72.01572	1.0
72.99177	4.6
73.02818	11.2
73.55743	0.9
75.00759	1.7
80.96389	1.3
81.03346	1.1
83.01270	9.6
85.02824	25.0
85.99982	1.3
87.00760	3.1
88.98683	1.3
89.02318	17.7
93.03329	7.5
95.01268	5.4
96.95924	1.6
97.02859	1.8
99.00743	5.1
101.02321	33.1
105.01855	1.0
106.60541	1.1
108.02129	1.2
111.00751	1.9
113.02321	19.3
117.03354	7.4
119.03452	4.8
119.04906	12.8
119.05634	1.3
121.02846	1.9
123.04453	1.8
125.02386	1.7
133.02853	5.0
134.03688	1.0
135.04417	5.5
136.01601	0.9
137.02339	11.3
143.03522	1.2
145.02855	26.9
146.03227	1.4
149.02281	1.0
159.02962	1.1
161.02365	9.8
161.04510	2.9
161.05940	1.4
162.02873	1.0
163.03925	12.6
163.05190	1.2
179.03409	7.4
205.05089	2.4
214.49686	0.8
233.11081	0.9
265.07318	1.6
285.03976	1.4
307.08179	2.1
325.08911	1.3
345.15695	2.0
387.28015	1.7
431.26694	3.9
447.26105	1.9
465.17923	4.5
533.20227	1.3
549.32892	1.7
561.76526	1.1
593.31750	100.0
594.32190	16.9
609.28638	1.4
611.30939	2.0
682.40497	1.0
711.22662	1.4
719.25964	3.6
773.38422	70.3
774.38837	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	773.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.8
57.03318	1.8
58.00460	2.6
59.01255	50.4
61.98710	11.7
70.10067	1.2
71.01253	41.7
71.52357	1.6
72.99187	4.3
73.02836	7.2
75.00764	1.4
80.96367	1.5
81.03342	1.2
82.95995	1.2
83.01270	5.6
85.02823	14.4
87.00758	3.8
88.98685	4.6
89.02318	20.6
93.03341	3.4
95.01260	3.8
97.02825	1.9
99.00777	3.4
101.02328	24.7
105.01826	1.5
108.02033	1.4
109.02857	2.5
113.02328	15.9
117.03361	10.9
119.03413	6.5
119.04912	13.7
121.02793	1.5
122.03558	1.3
123.04408	2.9
125.02300	1.8
133.02893	6.7
134.03600	1.9
135.04404	5.6
136.01598	1.5
137.02347	8.3
145.02869	41.4
146.03156	1.5
149.02344	1.8
150.03145	1.3
151.00262	1.6
151.03920	2.2
152.07085	1.5
160.01575	3.9
161.02374	11.3
161.04399	2.3
161.05994	1.5
163.02719	1.6
163.03935	13.4
165.01871	1.6
165.05464	1.7
175.03912	6.0
179.03442	9.8
193.05042	2.6
194.05731	1.8
195.06606	2.8
209.08215	1.6
223.06253	1.3
262.85437	1.4
265.07254	2.2
337.09216	3.4
431.26416	9.1
447.26352	2.8
563.17682	1.3
593.31384	4.1
609.27667	2.1
627.28748	2.5
719.26080	3.9
773.38721	100.0
774.39392	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	773.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.8
57.03318	1.8
58.00460	2.6
59.01255	50.4
61.98710	11.7
70.10067	1.2
71.01253	41.7
71.52357	1.6
72.99187	4.3
73.02836	7.2
75.00764	1.4
80.96367	1.5
81.03342	1.2
82.95995	1.2
83.01270	5.6
85.02823	14.4
87.00758	3.8
88.98685	4.6
89.02318	20.6
93.03341	3.4
95.01260	3.8
97.02825	1.9
99.00777	3.4
101.02328	24.7
105.01826	1.5
108.02033	1.4
109.02857	2.5
113.02328	15.9
117.03361	10.9
119.03413	6.5
119.04912	13.7
121.02793	1.5
122.03558	1.3
123.04408	2.9
125.02300	1.8
133.02893	6.7
134.03600	1.9
135.04404	5.6
136.01598	1.5
137.02347	8.3
145.02869	41.4
146.03156	1.5
149.02344	1.8
150.03145	1.3
151.00262	1.6
151.03920	2.2
152.07085	1.5
160.01575	3.9
161.02374	11.3
161.04399	2.3
161.05994	1.5
163.02719	1.6
163.03935	13.4
165.01871	1.6
165.05464	1.7
175.03912	6.0
179.03442	9.8
193.05042	2.6
194.05731	1.8
195.06606	2.8
209.08215	1.6
223.06253	1.3
262.85437	1.4
265.07254	2.2
337.09216	3.4
431.26416	9.1
447.26352	2.8
563.17682	1.3
593.31384	4.1
609.27667	2.1
627.28748	2.5
719.26080	3.9
773.38721	100.0
774.39392	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	773.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	6.1
59.92576	3.4
61.98702	20.1
70.80907	3.2
71.01247	4.9
71.51469	6.0
75.90413	3.3
78.95767	15.3
94.97100	3.8
101.02336	3.7
109.06474	12.2
111.67458	3.4
128.78902	4.0
141.04745	3.3
152.99420	6.0
158.16684	4.6
171.10262	5.9
184.68201	3.3
195.13876	7.5
207.08362	5.1
207.10217	50.5
208.10500	6.1
225.11324	18.4
253.09262	16.5
275.20132	6.5
287.54492	3.8
293.21265	100.0
294.21475	14.6
419.24948	4.2
443.19836	4.1
470.02304	3.7
501.16556	4.6
529.30066	9.4
719.40179	6.2
737.41180	41.7
738.41370	14.1
773.40289	12.6
774.39166	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	773.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	3.9
59.01247	19.7
61.98705	55.0
71.01257	78.8
71.52319	3.9
78.95315	5.2
78.95778	100.0
85.02815	9.0
87.00774	4.6
89.02316	5.7
93.49475	3.2
96.95901	4.1
96.96831	9.9
97.06477	3.9
101.02316	9.4
109.06488	5.3
111.08037	4.6
113.02322	7.1
129.10301	2.5
133.02859	6.8
135.04424	9.2
152.99498	49.1
161.02394	9.8
163.11150	3.0
169.12256	3.7
171.10176	76.5
179.03418	13.0
181.12230	4.0
195.13789	8.9
197.11797	14.3
198.12204	3.6
199.09688	9.5
201.11273	12.0
202.11864	3.7
207.10155	14.3
208.10466	3.0
209.11763	14.4
211.13303	11.9
214.58415	3.2
223.13344	13.9
225.11290	10.7
226.11662	3.5
229.14357	3.9
235.08328	5.8
243.12418	3.4
253.09204	14.9
275.20169	7.1
291.19711	14.2
292.19995	4.1
293.21262	87.5
294.21619	8.2
309.20688	5.9
310.21021	3.1
327.21826	16.3
445.19891	10.8
463.21017	22.4
464.20847	3.2
649.78253	3.3
651.20044	3.8
737.41748	4.2
773.42578	81.5
774.42999	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	773.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.5
57.03317	1.7
58.91764	0.3
59.01244	4.2
61.98693	1.7
69.03316	1.2
70.37882	0.8
70.38235	0.5
71.01249	4.8
71.04903	0.4
71.15111	0.3
73.02808	0.9
75.41154	0.3
77.08319	0.3
78.88962	0.3
80.02534	1.1
81.03328	0.9
83.01256	0.8
83.04897	4.5
84.02020	1.1
85.02817	5.3
87.00755	1.1
89.02309	2.8
93.03317	0.4
95.04897	1.2
96.95928	0.5
97.02815	1.3
97.06477	1.9
99.00774	0.5
101.02328	4.8
102.50117	0.3
109.06495	0.7
113.02339	2.5
119.03409	0.9
123.08042	0.4
125.05961	0.6
125.09592	0.9
127.11150	0.9
135.08055	0.5
137.09615	1.5
143.03423	0.3
145.04945	1.0
155.10681	0.6
161.04459	1.9
163.11214	3.7
165.12747	3.1
171.10179	17.1
172.10500	0.9
179.05490	0.4
181.12274	0.7
183.13875	1.8
185.11700	0.6
191.10710	0.7
192.10986	0.3
193.12250	0.5
197.11792	0.5
199.13318	0.3
201.11255	0.9
209.11768	100.0
210.12094	6.1
211.11482	0.5
211.13347	7.8
212.13672	0.3
221.11745	1.2
227.12845	13.3
228.13126	1.0
229.14394	6.4
235.08185	8.7
236.08479	0.4
239.12903	0.8
253.09254	19.0
254.09543	1.0
291.19672	3.1
309.20676	7.2
310.21021	0.5
327.21753	62.3
328.22125	5.7
445.20633	2.1
490.86682	0.3
519.33044	0.8
545.29712	1.2
563.30548	2.9
564.30939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.6
57.03316	1.2
58.00462	0.6
59.01250	10.5
61.98702	2.1
65.34411	0.3
68.99684	0.5
69.03338	0.9
69.30709	2.8
71.01252	13.7
72.99185	1.5
73.02818	9.4
75.00748	0.7
78.95776	0.3
81.03336	1.6
83.01247	1.3
85.02824	7.6
87.00745	0.9
89.02312	7.6
93.03349	1.1
95.01268	4.1
97.02832	0.6
99.00756	35.1
100.01099	0.9
101.02321	5.5
102.50435	0.3
108.02052	78.9
109.02850	32.9
110.03146	1.1
113.02323	11.5
114.02673	0.5
116.92695	0.4
119.03385	1.0
121.02840	1.4
121.10123	1.4
122.03633	0.6
122.10429	0.4
123.00755	2.2
123.04370	1.8
125.02313	1.1
126.94482	0.3
131.03404	1.9
133.02850	1.0
134.03665	0.5
135.00784	1.4
135.04405	0.8
137.02356	1.4
145.02878	0.8
149.04477	0.9
151.03912	1.2
152.01054	87.3
153.01846	32.1
153.02873	0.2
154.02205	1.2
161.02342	1.4
161.04463	1.0
163.03911	2.2
165.01842	1.4
165.05501	0.4
165.09091	1.3
167.03372	0.5
177.01880	0.7
179.03439	1.0
186.15190	0.4
190.40982	0.3
191.05510	2.7
194.26642	0.3
195.02896	0.4
207.02869	0.4
214.91687	0.3
315.07196	1.9
326.59427	0.4
345.15442	1.1
357.78174	0.4
373.76135	0.4
463.16125	0.7
465.17850	0.4
467.15915	0.5
477.19629	1.2
775.26624	100.0
776.27002	18.9
776.41730	0.5
782.42847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.7
57.03318	1.2
58.00470	1.0
59.01249	17.7
62.98941	0.4
71.01256	20.4
71.52186	0.5
71.52555	0.5
72.99176	1.9
73.02819	11.1
75.00779	0.4
83.01266	1.0
85.02823	9.1
87.00739	0.8
89.02318	21.6
90.02725	0.5
93.03323	0.8
95.01273	3.9
95.04911	2.0
97.02791	1.0
99.00757	44.2
100.01077	1.0
101.01706	0.7
101.02326	8.1
108.02055	1.7
109.02845	0.8
111.00847	0.4
113.02332	23.4
114.02685	0.5
119.03370	2.1
121.02840	0.5
121.09283	0.6
121.10124	7.5
122.03626	1.1
122.10445	0.5
123.04409	100.0
124.04745	3.6
125.02324	1.5
131.03400	4.8
133.02794	0.6
135.04416	0.6
137.02336	0.7
143.03406	2.1
149.04475	14.0
152.01051	1.4
153.05482	91.6
154.05855	3.3
161.02324	1.2
161.04466	7.2
165.09126	9.6
166.09561	0.4
183.10074	0.6
191.05536	10.9
207.10185	2.5
215.05585	0.5
233.06627	4.3
237.11272	3.2
259.80743	0.5
293.08752	2.0
297.13400	4.7
315.10867	18.8
316.11115	1.3
339.14499	2.2
345.15674	1.6
369.15472	0.6
381.15424	1.3
441.17972	0.7
459.18723	21.0
460.19116	2.4
463.19995	1.1
477.19788	47.7
478.20068	6.0
483.18784	0.7
501.19495	0.6
519.20685	2.9
543.20844	1.4
595.24182	1.0
621.23914	8.2
622.24536	1.3
775.30237	16.4
776.30469	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	775.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	5.6
57.03322	5.8
58.56521	1.1
59.01254	24.0
61.98702	10.6
62.33838	1.2
63.54013	1.1
69.03334	3.5
69.24561	5.1
69.24982	5.4
71.01254	49.9
72.99187	22.1
73.02820	22.4
75.00774	2.6
76.92156	1.1
78.95792	1.4
81.03349	1.9
83.01250	10.2
85.02826	28.1
85.99986	1.3
86.60328	1.1
87.00772	4.2
88.98671	2.7
89.02320	9.8
93.03314	2.7
95.01279	5.6
96.95893	72.0
96.96881	4.0
97.02829	7.6
98.19827	2.7
99.00756	13.3
101.02332	33.5
107.04910	26.9
108.02068	3.6
109.02860	5.7
111.00758	3.3
112.01557	4.1
113.02329	26.7
119.03360	1.7
121.02867	2.5
123.04416	3.5
125.02335	5.4
129.01852	1.7
133.02856	5.2
135.04431	7.4
136.01532	1.7
137.02348	28.7
138.02692	1.7
139.00301	1.4
143.03387	1.5
145.02879	1.7
149.02362	2.4
151.00273	1.7
151.03912	7.5
152.01056	4.9
153.01868	13.5
159.02895	2.5
161.02362	13.0
161.04465	8.1
163.03874	1.4
165.01862	8.4
166.02675	1.6
167.03427	2.6
175.03888	2.3
177.02074	1.4
179.03452	8.0
180.04236	5.6
181.04901	2.4
185.11835	3.7
191.76711	1.1
195.06555	7.1
207.77147	1.1
210.05394	1.5
225.07687	3.9
237.14987	2.0
303.18240	5.8
304.18130	1.1
329.16055	4.0
347.17123	16.1
387.14523	3.0
461.20306	36.1
462.20639	2.4
479.21304	46.1
480.21753	3.6
521.22101	2.5
565.21051	4.4
596.20984	1.2
613.23462	1.9
623.26080	1.4
775.30298	100.0
776.30554	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	775.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.2
61.98698	7.7
71.01247	4.4
78.95776	15.5
98.20498	5.7
116.00228	2.1
128.95824	2.6
152.99496	8.1
171.10234	2.9
191.43542	2.2
195.13857	5.2
209.11765	83.1
210.12067	2.5
223.13391	4.2
227.12898	18.8
235.08055	3.6
253.09280	25.2
275.20242	3.6
293.21231	100.0
294.21585	9.1
313.15311	2.5
409.14746	2.2
445.20966	4.2
511.28839	2.9
529.30182	5.5
742.88501	2.5
775.40521	31.9
776.41608	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	777.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14592	0.4
59.01253	12.2
59.01538	0.7
60.99183	1.3
61.98705	9.2
61.99010	0.7
71.01261	4.8
72.99197	0.7
73.02827	1.5
75.00738	0.6
78.95799	0.4
81.03358	0.5
83.01288	0.5
85.02832	1.8
87.00742	2.3
88.98678	7.7
89.02309	2.1
89.03841	1.3
95.01266	0.6
97.02776	0.8
99.04391	0.4
101.02336	2.0
105.03375	0.9
109.02856	1.1
109.06455	0.5
113.02346	2.6
116.92722	0.4
117.03344	4.0
119.03387	0.5
119.04924	0.6
125.02333	1.2
127.03902	1.2
132.02071	29.2
133.02924	4.6
134.03642	35.6
135.04349	1.8
137.02341	1.4
137.05960	0.9
145.02837	3.2
147.04402	0.5
149.06012	4.0
152.04700	1.5
160.01575	90.1
161.02232	6.6
162.02788	0.8
163.03981	0.6
163.11336	0.5
167.07028	2.6
171.10168	0.7
175.03928	100.0
176.04280	5.2
177.01863	13.1
177.03232	0.2
177.03470	0.4
178.02608	1.6
179.03435	3.7
180.03653	0.5
193.04999	32.9
194.05379	2.1
197.11761	1.0
202.06346	0.8
207.10191	0.9
209.11732	1.2
211.13316	0.5
225.11241	0.6
273.17001	1.7
285.07623	0.5
311.11383	0.7
329.12106	0.5
343.57114	0.4
353.12598	0.5
371.13446	0.8
463.15738	0.4
517.19031	0.7
547.18213	17.6
548.18750	3.3
587.26715	0.6
589.19183	1.5
657.22052	2.9
658.21497	0.7
675.22253	0.7
693.23547	1.1
717.23816	1.2
735.25092	6.9
736.25354	1.5
761.33319	0.8
761.83038	0.8
777.25854	14.5
777.83716	0.5
778.26318	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	777.282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.6
57.03333	1.2
58.00476	0.8
59.01250	8.7
69.03326	0.8
69.28256	1.0
69.28658	2.5
71.01250	15.3
72.99182	3.8
73.02817	6.7
81.03324	2.0
82.86413	0.5
83.01266	3.4
85.02824	10.5
85.99986	0.6
87.00750	0.6
87.53191	0.4
89.02313	2.7
93.03310	0.9
95.01259	2.9
97.02826	1.5
98.73116	0.5
99.00751	5.0
101.02325	11.9
107.04919	0.4
108.02054	83.0
109.02856	33.1
110.03214	1.0
111.00771	0.9
112.01574	0.6
113.02328	9.1
114.02654	0.4
119.03347	0.6
119.04864	0.5
121.02824	1.0
122.03681	0.6
123.00821	2.6
123.04401	5.2
124.04750	1.1
125.02349	0.7
131.03424	0.6
133.02776	0.6
135.00800	0.8
135.04376	0.9
137.02396	0.4
140.66866	0.4
149.04448	0.4
150.03108	0.7
151.03877	1.2
152.01057	87.5
153.01849	29.6
153.05466	2.8
154.02200	1.2
154.05801	0.5
159.02878	0.9
161.02354	0.7
161.04465	1.8
163.03914	1.5
165.01794	0.8
181.04974	0.6
185.11771	0.9
191.05438	0.7
232.34456	0.5
271.08020	0.5
296.89792	0.5
297.06375	0.4
303.18118	2.0
315.07147	2.0
315.10602	0.5
329.16104	1.1
347.17001	4.1
348.17587	0.5
461.19656	0.7
478.19699	0.7
479.21353	4.6
537.21521	0.5
645.24579	0.6
777.28198	100.0
778.28510	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	777.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.2
57.03321	1.2
58.00464	0.4
59.01250	12.0
59.05967	0.4
61.98703	0.5
69.03326	1.0
69.43998	1.6
69.44402	0.9
71.01251	17.4
72.12191	0.4
72.99177	7.1
73.02817	9.8
73.43736	0.5
75.00745	0.6
81.03316	0.8
83.01252	3.8
85.02821	12.1
85.99970	0.7
87.00764	1.2
89.02322	3.5
90.35203	0.4
93.03339	0.9
95.01256	3.3
95.04907	1.3
96.95870	0.5
97.02827	2.1
99.00748	4.9
101.02314	17.7
108.02021	0.8
109.02873	0.6
111.00745	1.1
112.01548	1.4
113.02332	12.6
119.03393	0.6
119.04921	0.4
121.02863	0.8
122.03609	1.5
123.04404	100.0
124.04755	3.1
125.02322	1.8
129.01793	0.5
131.03438	0.6
131.08981	0.4
137.02362	0.9
141.01904	0.4
143.03391	1.6
145.02899	0.7
149.12212	0.4
150.03151	1.6
152.00949	0.7
153.05475	69.3
154.05809	3.0
159.02888	1.1
161.02332	0.7
161.04482	3.1
164.25359	0.4
165.05446	1.2
179.03363	0.4
185.11688	2.0
191.33813	0.5
195.06476	1.0
197.51187	0.4
237.14938	0.8
264.86295	0.4
303.18088	3.3
315.07141	0.8
315.10831	14.5
316.11133	0.8
329.16037	1.6
347.17102	7.1
347.21066	0.8
348.17215	0.7
461.20264	44.1
462.20544	5.4
479.21326	57.7
480.21606	6.0
503.21048	0.8
521.22443	4.3
533.85455	0.4
545.22449	2.0
623.25574	9.0
624.25580	1.2
777.31696	18.7
778.32349	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	777.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81791	2.6
59.01267	5.8
61.98699	5.4
63.72464	2.8
68.93973	2.5
78.95773	100.0
80.96395	3.6
96.96840	23.2
98.19775	6.7
126.23210	2.7
152.99493	37.3
158.01283	3.0
167.10596	4.0
171.10239	3.3
173.66570	3.0
179.14369	4.6
195.13876	15.8
199.13432	3.5
205.12257	12.2
223.00142	5.3
223.13342	45.9
223.18951	3.0
224.13521	3.9
241.01129	46.4
255.23268	97.0
255.25949	5.0
256.23608	9.8
259.02179	4.6
777.41095	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22540	0.4
57.03319	1.3
57.28607	0.4
59.01254	4.7
61.98706	2.4
63.47608	0.4
69.83875	0.7
69.84274	1.7
71.01253	6.8
85.02824	8.2
87.00780	0.4
88.60441	0.4
89.02320	1.5
89.03928	0.5
89.49817	0.5
93.03323	0.5
93.45081	0.4
95.01280	3.0
98.19890	0.8
99.00821	0.4
101.02304	1.5
103.03971	0.4
105.03358	0.8
107.04951	0.5
108.02054	0.7
109.02834	0.9
111.74033	0.4
113.02330	13.0
115.01762	0.5
116.04990	0.5
117.03362	1.6
123.04429	0.8
132.02063	3.1
133.02855	51.5
134.03441	1.5
135.04417	24.2
136.04791	0.9
137.02328	1.7
138.87007	0.4
139.03839	0.5
143.03305	0.6
150.01393	0.5
151.02138	0.9
153.01828	0.8
161.02351	100.0
162.02705	3.8
163.02222	0.5
163.03889	0.5
164.01680	0.8
165.02574	0.7
175.03917	0.5
176.01672	6.1
179.03423	23.6
180.03737	0.6
183.40335	0.4
186.16365	0.5
188.01625	0.5
189.02426	1.1
190.03262	7.7
191.03560	0.5
192.04817	5.3
193.04997	0.5
203.03436	0.6
204.04814	5.0
205.05153	0.7
210.05940	0.5
216.01216	0.5
218.02739	1.3
219.03531	1.0
220.04330	2.6
233.04459	0.6
237.50735	0.5
247.05435	23.7
248.05711	1.3
250.04988	0.4
265.06415	0.6
362.94406	0.4
388.67090	0.4
487.14786	0.5
529.52173	0.4
535.54517	0.4
573.17755	4.0
574.17877	0.5
599.15039	0.6
617.16547	12.5
618.16626	1.7
678.17993	0.5
706.18500	0.7
735.20776	17.6
736.20520	2.7
761.18152	0.8
765.92059	0.6
779.19629	36.6
780.19916	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	22.0
61.98697	0.8
69.03316	1.7
70.85271	0.5
71.01247	3.3
73.02825	0.8
78.95772	11.6
79.95603	0.7
80.96390	4.3
81.03345	0.6
83.01274	0.6
85.02822	1.3
87.00745	0.9
89.02320	2.1
94.97952	0.6
95.01257	0.5
95.04898	0.9
96.96834	3.4
97.02824	0.8
98.20657	1.0
101.02314	2.8
109.06480	4.2
113.02322	1.5
119.03397	0.8
145.39825	0.5
149.09612	0.6
152.99489	1.7
161.04442	1.3
163.11215	2.5
167.10701	1.8
177.12788	0.6
178.71666	0.5
179.10733	0.7
179.14349	2.3
181.12204	0.8
195.13847	7.6
196.14188	0.6
205.12265	8.9
206.12556	0.6
207.10182	5.3
208.10622	0.5
223.00029	0.8
223.13342	91.6
224.13695	5.2
225.00664	1.1
225.11253	2.8
229.51184	0.4
235.08168	5.1
238.45442	0.5
241.01137	5.8
253.09239	9.6
255.23267	6.1
256.23495	0.6
277.21710	100.0
278.22052	7.1
441.21255	3.0
459.22318	10.6
459.67346	0.5
460.22614	1.1
513.30334	1.1
516.02045	0.5
523.14862	0.5
530.19202	0.6
625.01709	0.5
719.44092	1.9
720.43970	0.9
749.61212	0.5
779.39636	25.0
780.39679	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	779.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.73599	0.3
60.72112	0.2
61.98694	1.0
67.65421	0.3
69.18966	0.7
69.19372	2.0
78.95764	0.3
79.95576	1.5
95.95091	0.3
96.95886	62.3
98.20605	0.4
190.63951	0.3
262.79065	0.3
265.14767	100.0
266.15085	5.9
329.70544	0.3
382.49362	0.3
429.38748	0.3
485.83075	0.3
712.61890	0.3
778.37891	0.3
779.39349	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00021	0.2
57.03331	0.2
59.01254	1.4
60.10337	0.3
60.99178	16.6
61.98705	47.6
63.99117	0.3
70.62177	0.2
71.01266	1.6
71.51918	0.2
72.99175	0.6
73.02824	0.5
75.00758	0.4
78.95785	0.6
85.02824	0.8
87.00755	2.0
88.00287	2.3
88.01103	0.3
88.98681	100.0
89.02318	10.0
89.98991	1.2
96.95905	0.4
99.00816	0.3
101.02310	0.7
111.19819	0.2
113.02328	1.5
116.92735	0.8
117.01825	0.6
122.65217	0.2
125.02283	0.3
133.02866	1.5
134.03598	0.3
135.04370	0.8
137.02376	0.4
139.03990	0.3
158.75414	0.2
161.02350	4.0
161.04405	0.5
177.01823	0.3
179.03369	0.9
190.12170	0.2
203.06996	0.4
209.11725	0.5
255.71738	0.2
293.21295	1.8
294.21634	0.3
323.22177	0.4
397.13278	1.0
415.14536	0.6
623.66858	0.3
772.30145	0.3
781.35590	1.4
782.25604	0.9
794.05829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.9
59.66899	1.0
61.98703	8.2
69.03286	0.9
71.01254	4.1
71.23112	1.5
78.95781	35.9
78.98464	3.3
79.95608	10.2
80.96393	40.8
83.04886	4.2
85.02838	2.1
87.00744	2.6
94.97963	8.4
96.95889	1.1
96.96836	8.5
109.06480	1.5
116.37985	0.8
122.97468	2.3
123.81009	0.9
125.02376	2.1
134.97464	3.6
136.99089	1.6
148.99043	4.0
150.55069	0.9
152.98576	1.4
152.99529	8.1
163.11185	3.2
164.98569	6.5
197.11783	0.9
199.13094	1.2
201.72165	0.8
204.91287	0.9
206.99643	2.2
209.11787	31.4
210.12161	1.6
223.00031	2.5
225.00667	13.7
225.11209	1.3
227.12830	1.9
241.01187	19.8
255.23299	21.4
256.23581	2.3
259.02115	1.4
285.24643	0.9
363.12015	1.4
391.22665	1.2
494.99728	1.0
525.16748	1.3
537.27960	1.4
763.39636	6.8
764.39996	1.4
781.40912	100.0
782.41479	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63756	0.4
61.98699	4.2
70.99842	1.0
71.01254	2.1
78.95772	50.2
78.98454	1.3
79.95612	2.8
80.02521	1.2
80.96391	16.5
81.03309	1.5
83.04890	4.7
84.02031	0.9
85.02763	0.5
87.00721	1.2
94.97950	4.0
95.04929	0.5
96.96841	12.5
97.02821	0.9
100.51796	0.4
106.97940	0.7
108.15853	0.4
109.06469	0.6
122.97458	1.0
125.02316	0.7
125.05945	0.5
134.97459	1.0
134.98419	0.7
135.08043	0.9
148.99010	1.1
152.98502	1.0
152.99498	10.7
163.11183	4.5
164.98515	3.2
165.12712	3.0
181.12280	0.9
191.10698	1.5
209.11768	48.0
210.12082	3.1
223.00073	3.4
225.00705	6.0
227.12880	5.3
241.01149	27.2
242.01448	1.1
255.23253	31.5
256.23569	3.1
259.02127	1.3
271.51901	0.5
297.03683	0.7
315.04861	0.9
362.18314	0.4
363.12128	1.8
388.62875	0.5
391.22418	1.8
486.85913	0.5
525.17163	1.7
553.27692	1.7
687.96637	0.5
745.59229	0.5
763.40063	2.2
781.41174	100.0
782.41608	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	781.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00965	1.0
59.01247	17.2
59.99884	1.0
61.98706	8.8
71.01250	9.8
73.02821	2.5
78.95763	5.1
78.98460	2.5
79.95611	4.8
80.96388	27.7
85.02861	2.7
87.00735	2.4
89.02332	2.4
94.97970	6.8
97.02826	8.0
97.03371	1.3
99.00760	9.6
101.02301	4.9
106.97952	2.0
109.06451	2.8
110.03635	2.0
113.02322	4.3
122.97461	1.5
125.02364	1.9
125.09595	2.5
134.97440	2.0
135.08078	1.6
142.02635	1.7
148.99011	2.3
152.98518	2.4
163.11197	6.7
164.98538	5.3
168.43726	1.3
181.10809	1.5
181.12268	17.4
185.25264	1.2
199.13394	1.5
207.10201	53.8
208.10477	2.5
209.11757	3.5
225.00702	8.4
225.11275	100.0
226.11586	7.9
226.97014	1.0
229.66354	1.6
235.08238	2.4
241.01108	1.8
243.12334	10.0
246.57086	1.0
253.09253	3.8
255.23172	3.2
272.89285	1.2
277.21710	84.4
278.22021	7.4
300.62579	1.1
317.15921	1.2
366.24368	1.0
443.19403	4.5
457.43640	1.1
461.20276	39.0
462.20648	4.7
721.41663	29.3
722.41943	6.9
781.40594	46.9
782.40802	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	782.251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	6.0
59.70993	0.6
61.98700	11.1
69.34436	5.2
70.07434	0.7
71.01255	10.3
73.02812	0.9
74.98929	0.6
78.16589	0.6
85.02830	11.0
89.02342	2.4
95.01241	3.4
101.02327	1.5
105.03363	0.9
109.02842	0.7
113.02330	18.3
115.03958	0.8
116.92761	2.8
117.03349	2.3
119.04921	1.8
121.02802	0.9
121.82630	0.7
123.04444	0.8
132.02068	3.2
133.02850	45.9
134.03581	2.2
135.04410	12.2
137.02313	3.3
145.02832	6.2
160.01564	2.0
161.02350	100.0
162.02676	4.5
163.03926	1.7
173.06009	2.1
175.03944	2.2
179.03418	10.3
187.03906	0.8
187.07544	6.7
196.65425	0.8
201.05542	1.8
202.06276	9.1
216.07904	1.1
219.10147	1.1
220.07310	0.7
228.95590	0.7
231.10196	7.9
249.11287	1.7
259.66711	0.7
265.35095	0.7
371.36282	0.7
411.16647	1.2
445.15018	1.2
517.31433	0.7
557.22491	8.1
558.22253	1.0
583.15985	0.7
622.18335	0.8
719.25531	70.1
720.26031	13.6
781.38049	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.6
60.99183	0.2
61.98704	100.0
62.98401	0.2
71.01259	0.6
71.51644	0.1
72.99195	0.2
73.02834	0.1
78.95783	0.2
84.61716	0.1
85.02839	0.3
87.00761	0.1
88.98673	1.4
89.02335	0.5
96.95924	0.3
99.00768	0.2
101.02363	0.3
113.02332	0.4
116.92776	0.2
119.04946	0.1
121.02876	0.1
133.02887	0.4
135.04416	0.6
143.03442	0.1
145.02881	0.2
161.02393	0.7
161.04581	0.2
162.02689	0.1
179.03456	0.7
209.11725	0.2
215.07190	0.2
223.05602	0.1
255.14119	0.1
265.29935	0.1
353.14099	0.3
428.20663	0.1
582.35187	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	782.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.5
61.98702	100.0
62.98425	0.2
64.82339	0.2
69.61797	0.8
71.01245	0.4
78.95779	0.6
78.98497	0.3
79.95627	0.6
80.96393	2.8
82.96004	0.2
94.97980	0.6
97.24381	0.2
101.53898	0.2
103.47298	0.2
125.02304	0.2
140.26907	0.1
143.61014	0.2
148.99081	0.2
164.98526	0.3
175.02440	0.2
201.00832	0.2
205.12488	0.2
209.11626	0.2
223.13408	0.7
224.13695	0.5
225.00728	0.9
255.23296	0.2
277.21869	0.7
278.22025	0.8
279.22342	0.6
280.22678	0.2
473.39798	0.2
684.54425	0.2
723.53033	0.2
764.39612	0.5
781.41547	0.2
782.41003	3.4
783.41333	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.4
60.56248	0.1
61.98710	0.7
64.05701	0.2
71.01249	0.2
71.27996	0.2
72.58621	0.1
73.02824	2.4
74.02322	0.4
75.00278	0.1
75.00726	0.7
76.06318	0.1
87.00743	0.2
89.02339	0.2
99.00745	0.4
99.92461	0.9
102.98443	0.2
116.03407	0.5
116.92744	8.3
117.01823	5.0
117.92758	0.5
120.99542	100.0
121.99936	1.3
133.02870	0.2
147.62245	0.1
154.00668	0.2
162.29697	0.1
168.33095	0.2
179.03505	0.3
225.95641	0.1
296.84720	0.2
455.31290	0.2
761.93921	0.2
783.36688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02681	0.8
59.01258	5.8
61.98702	13.9
67.53838	0.9
71.01250	5.3
72.98229	0.8
73.02824	1.4
78.95769	1.9
79.95610	2.4
80.96391	8.9
83.01241	1.4
83.04911	2.7
85.02848	1.4
87.00735	1.2
89.02327	2.4
94.97977	1.3
95.04900	0.9
98.19832	2.1
101.02299	4.4
113.02332	2.8
125.02388	1.2
151.90450	1.2
161.02417	2.0
161.04471	1.9
163.11154	2.6
164.98529	2.1
165.12720	1.3
179.03447	1.8
191.10753	0.9
199.13281	0.9
209.11777	74.7
210.12123	5.4
211.13304	2.1
225.00681	3.1
227.12843	12.9
235.08212	7.4
253.09291	8.2
273.57465	1.0
277.21722	100.0
278.22028	11.3
445.20651	1.1
513.30652	1.0
783.41663	10.7
784.42572	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	783.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55669	0.7
56.69083	0.7
57.09769	0.8
59.01240	3.1
61.98698	7.5
64.28239	0.9
69.93320	2.4
69.93736	1.3
71.01249	3.6
73.02802	0.8
78.95781	1.9
80.02536	1.2
80.96395	1.8
81.03333	0.9
83.01274	0.9
83.04899	4.7
84.02058	0.8
85.02808	1.0
89.02315	2.6
92.07155	0.7
93.19806	0.8
93.74143	0.7
98.19917	1.0
101.02348	1.7
104.40117	0.8
113.02340	1.4
115.60024	0.8
134.03593	1.5
144.44885	0.8
161.02365	0.9
161.04454	1.1
163.11176	2.8
165.12785	1.7
179.05496	0.9
181.12331	0.9
191.10623	1.0
199.13234	0.8
209.11769	100.0
210.12111	7.0
211.13429	0.8
217.22278	0.9
227.12860	12.1
253.09294	7.2
277.21725	50.7
278.22098	5.1
293.21185	1.6
372.79495	0.9
436.21707	0.7
445.20712	1.5
783.41736	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	783.454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.3
57.03315	1.0
59.01252	6.9
59.59775	0.3
60.99169	0.2
61.98702	0.9
69.03323	3.5
71.00890	0.4
71.01253	4.1
71.04903	0.8
71.53666	0.2
72.99178	0.4
73.02826	0.9
81.03335	0.4
81.56248	0.3
83.01254	0.8
83.04895	0.8
83.05380	0.2
84.02029	2.4
85.02839	1.5
85.06479	0.7
87.00735	1.5
88.98688	1.1
89.02314	3.6
91.03874	0.3
93.03361	0.3
93.72227	0.2
95.01266	0.5
95.04934	0.4
97.02837	1.0
97.06473	4.6
97.07072	0.2
99.04395	0.8
101.02319	5.0
109.06465	0.5
111.08054	0.6
113.02332	2.3
119.03398	1.0
119.08581	0.4
125.09590	1.5
133.05009	0.3
135.11707	0.4
137.09662	0.4
143.03391	0.4
145.04985	1.0
149.09648	0.6
149.13239	0.4
153.09113	0.7
158.99785	0.3
161.02443	0.4
161.04431	2.3
161.13266	0.4
165.12743	0.4
167.10675	3.5
171.10185	8.7
172.10573	0.3
175.11264	0.5
177.12762	1.0
179.05510	0.8
179.10686	1.3
179.14326	3.3
183.13797	0.3
184.39247	0.2
193.12282	6.0
193.13956	0.5
195.13841	10.8
196.14211	0.5
197.11719	0.4
205.12282	10.0
206.12628	0.8
211.13307	1.7
221.11835	0.4
223.13353	100.0
224.13680	6.6
225.14922	8.5
226.15282	0.4
228.29390	0.3
235.05817	0.5
235.08199	10.3
236.08641	0.5
239.12726	0.3
243.16000	4.1
253.09264	13.6
253.14507	0.4
254.09677	0.9
273.18692	0.4
291.19592	1.2
305.20831	0.4
323.22324	1.0
341.23312	67.3
342.23651	7.0
459.22372	14.4
460.22629	1.9
476.25613	0.3
489.63998	0.3
547.36371	2.6
548.36932	0.6
559.31030	0.3
577.32013	1.6
578.33740	0.3
779.06409	0.3
783.45166	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.0
61.98702	100.0
62.98421	0.1
63.32055	0.1
69.81104	0.1
71.01264	1.1
71.25710	0.1
71.51583	0.2
72.99168	0.1
73.02812	0.3
74.98944	0.1
75.00684	0.2
78.91753	0.2
78.95795	0.2
80.96375	0.1
83.01276	0.2
85.02836	0.4
88.98685	0.2
89.02331	0.4
95.01265	0.2
96.95890	0.7
101.02319	0.8
109.02838	0.1
111.00774	0.2
111.08008	0.1
113.02328	0.8
116.92799	0.2
117.03367	0.1
119.03422	0.2
120.99528	0.2
133.02814	0.6
135.04414	0.6
145.02843	0.2
161.02310	0.9
161.04428	0.1
165.05484	0.2
171.10181	0.3
175.03867	0.1
179.03468	0.8
197.11848	0.2
207.10306	0.1
209.11819	0.4
217.88475	0.1
225.11488	0.2
266.48984	0.1
327.22018	0.2
351.05753	0.2
353.13858	0.2
354.14420	0.2
415.14624	0.1
455.26987	0.2
456.27145	0.2
623.22278	0.1
740.30640	0.2
784.33661	0.2
784.47296	0.2
785.44995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.8
61.98704	100.0
62.07825	0.1
62.98409	0.2
65.46524	0.1
70.99696	0.2
71.01258	1.1
72.99178	0.2
73.02831	0.1
73.64061	0.1
75.00741	0.2
78.91772	0.1
78.95787	0.2
83.01283	0.1
85.02842	0.4
85.57582	0.1
87.00745	0.2
88.98690	0.3
89.02301	0.5
93.03350	0.2
95.01281	0.2
96.95910	0.4
98.19978	0.1
99.00762	0.1
101.02359	0.3
109.02889	0.1
113.02326	0.6
116.92781	0.2
117.92708	0.1
118.92560	0.1
119.03455	0.2
119.04928	0.1
119.60633	0.1
120.99541	1.6
121.02895	0.2
121.06506	0.1
121.99856	0.1
123.04449	0.2
133.02861	0.7
134.03615	0.1
135.04434	1.1
137.02374	0.2
140.57237	0.1
145.02840	0.2
149.02347	0.1
149.06046	0.4
161.02347	1.8
161.04453	0.1
161.26851	0.1
165.05548	0.1
171.10316	0.1
175.04027	0.1
179.03409	1.5
179.78310	0.1
187.07631	0.1
201.05531	0.1
203.03429	0.1
207.10332	0.2
209.11813	0.5
215.07326	0.1
225.11430	0.2
251.89047	0.1
253.09097	0.2
265.84290	0.1
353.13916	0.1
487.15125	0.2
652.20599	0.4
721.26392	0.1
749.27374	0.1
753.28394	0.2
768.31677	0.1
784.35284	0.6
785.36951	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	0.1
61.98701	100.0
62.98408	0.1
64.33463	0.1
64.99940	0.1
70.85479	0.3
71.01260	0.5
72.13240	0.1
73.72941	0.1
78.95778	0.3
78.98457	0.3
79.95604	0.6
80.96389	4.0
87.00746	0.1
94.97950	0.9
101.02345	0.1
122.97455	0.2
125.02332	0.2
134.97466	0.2
148.99065	0.4
152.98543	0.4
164.98581	0.5
207.10211	0.2
209.11801	0.2
214.74997	0.1
223.66797	0.1
225.00658	1.1
256.02005	0.1
277.21722	0.4
278.21942	0.2
307.50888	0.1
337.84891	0.1
443.86722	0.1
447.31592	0.1
740.38593	0.2
783.42328	0.4
784.42212	4.8
785.39478	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
62.98410	0.2
71.21532	0.1
77.61752	0.1
78.95800	0.2
82.57880	0.1
88.12030	0.1
229.31200	0.2
274.11646	0.1
295.22937	0.2
296.23285	0.2
349.28192	0.2
394.01151	0.1
476.51385	0.2
612.09772	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87398	0.1
59.54218	0.1
61.98702	100.0
69.31705	1.0
71.01262	0.5
73.02824	0.2
78.95782	0.4
78.98468	0.4
79.95596	1.0
80.95912	0.3
80.96388	5.5
81.03310	0.1
82.95966	0.2
85.02838	0.2
87.00777	0.2
94.97953	0.9
98.19801	0.2
101.02348	0.2
106.97980	0.2
122.97491	0.4
125.02401	0.1
127.64508	0.1
134.97491	0.3
148.99077	0.4
152.98540	0.3
164.98584	0.8
209.11971	0.3
225.00658	1.3
226.00919	0.2
277.21771	0.3
278.21909	0.3
279.22809	0.2
392.24133	0.1
470.76700	0.1
707.54120	0.1
733.38171	0.2
740.40533	0.2
783.42242	0.4
784.42328	5.8
785.41223	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1788
Annotation	Quercetin 3-rutinoside-7-glucuronide
Peak:m/z	Relative Intensity
54.84185	4.3
59.01244	4.8
71.32053	6.4
111.27538	4.3
113.82452	4.3
119.03342	4.9
124.54509	4.5
150.06419	4.4
151.00235	16.4
163.00273	4.4
165.27144	5.1
178.99744	8.1
209.78279	4.2
243.02930	14.5
255.02922	23.0
271.02448	52.0
299.01825	6.8
300.02756	100.0
301.03430	42.2
319.53140	5.5
354.42252	4.8
499.23083	5.5
609.14545	58.5
610.14813	12.6
785.17822	36.2
786.18188	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	785.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	1.0
58.00485	0.8
59.01252	12.8
61.98697	3.6
69.03334	0.8
70.91637	2.1
71.01253	17.6
72.99197	3.1
73.02838	2.5
74.47655	0.7
75.00738	0.9
83.01277	1.3
85.02822	16.7
85.03294	1.2
87.00785	2.0
88.98695	0.9
89.02318	7.4
93.03345	1.2
95.01274	5.5
96.95884	2.0
97.02832	0.9
99.00760	5.6
101.02313	5.4
102.02689	0.7
105.03371	1.1
107.01293	0.9
107.04915	0.7
108.02053	1.7
109.02837	23.0
112.14754	0.8
113.02331	24.5
115.01769	0.8
116.92840	0.7
117.03359	2.7
119.03439	2.2
119.04918	36.4
120.15035	0.7
121.02862	1.4
121.06469	1.2
121.10112	1.3
123.04390	0.9
125.02354	0.8
130.06569	0.7
131.03383	0.9
132.02072	3.1
133.02849	49.6
134.03673	2.1
135.04411	12.2
137.02350	3.0
145.02853	24.9
147.04382	1.3
149.04494	2.5
149.05986	1.7
151.03935	1.0
152.01021	0.9
153.01817	2.4
159.04391	1.2
160.01608	1.5
161.02354	100.0
161.04506	2.8
161.05898	7.6
162.02678	4.3
163.03923	17.5
164.04234	0.7
164.12354	0.7
165.05482	1.2
165.08987	0.8
175.03979	4.3
177.01825	1.7
179.03394	6.1
181.05080	1.0
187.03972	4.9
191.05534	2.0
225.09122	2.8
227.07053	1.2
233.06607	1.4
240.04146	1.1
243.06445	0.7
255.06558	7.3
256.07043	0.7
273.07632	1.6
279.06586	1.4
281.04425	1.2
297.07703	11.6
297.13327	1.0
298.08102	0.8
307.08228	1.0
315.08649	1.5
360.33884	0.8
382.44211	0.9
385.95197	0.8
435.13058	1.1
459.18790	1.4
461.15665	0.9
477.13632	2.3
477.19644	5.3
489.27048	1.5
519.20062	0.9
543.38080	0.9
551.21179	2.9
581.18335	3.7
592.31805	0.8
623.19739	70.6
624.19983	10.1
713.24432	7.8
714.24744	1.9
785.22546	26.4
785.35547	1.7
786.22986	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	785.251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.2
59.01247	5.2
59.35569	0.6
65.24245	0.6
71.01250	9.0
72.99162	0.8
73.02827	1.2
74.98083	0.6
79.47702	0.7
84.08489	0.7
85.02829	6.8
87.00770	0.8
89.02345	3.7
95.01257	2.9
98.19828	1.3
99.00773	1.9
101.02313	3.1
105.03310	0.7
113.02328	15.7
123.04427	1.4
132.02089	2.2
133.02850	41.1
134.03500	1.4
135.04410	21.1
136.04758	0.8
145.02867	1.6
149.06050	1.4
153.05493	1.6
161.02350	100.0
162.02675	4.7
163.04008	0.8
179.03433	7.7
297.09833	0.8
315.10767	1.3
461.16614	6.3
462.16962	1.2
487.14453	0.8
623.19861	31.5
624.20068	6.5
785.25073	33.0
786.25287	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	785.251
Annotation	Purpureaside B
Peak:m/z	Relative Intensity
57.03330	1.2
59.01247	5.2
59.35569	0.6
65.24245	0.6
71.01250	9.0
72.99162	0.8
73.02827	1.2
74.98083	0.6
79.47702	0.7
84.08489	0.7
85.02829	6.8
87.00770	0.8
89.02345	3.7
95.01257	2.9
98.19828	1.3
99.00773	1.9
101.02313	3.1
105.03310	0.7
113.02328	15.7
123.04427	1.4
132.02089	2.2
133.02850	41.1
134.03500	1.4
135.04410	21.1
136.04758	0.8
145.02867	1.6
149.06050	1.4
153.05493	1.6
161.02350	100.0
162.02675	4.7
163.04008	0.8
179.03433	7.7
297.09833	0.8
315.10767	1.3
461.16614	6.3
462.16962	1.2
487.14453	0.8
623.19861	31.5
624.20068	6.5
785.25073	33.0
786.25287	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	785.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03348	0.3
59.01247	3.1
61.98694	0.5
71.01254	4.2
72.99181	0.6
73.02823	1.8
75.00729	0.3
85.02800	1.6
87.00714	0.3
89.02315	5.9
93.03334	0.9
95.01282	0.5
98.20553	0.6
99.00757	11.6
100.01092	0.3
101.02322	2.0
109.02811	0.2
113.02329	5.2
117.03339	0.6
117.46844	0.2
119.04917	100.0
120.01112	0.4
120.05256	3.9
121.10116	1.6
122.00677	0.3
125.02362	0.3
129.37927	0.2
131.03406	1.1
133.02861	0.5
135.04379	0.5
137.02310	0.3
143.03400	0.6
145.02826	1.4
149.04472	3.6
150.91745	0.2
153.01799	0.3
160.01529	0.3
161.02390	1.3
161.04482	1.9
163.03918	34.4
164.04250	1.9
165.09113	2.3
165.74084	0.2
175.03845	0.3
179.03421	0.3
191.05547	2.7
207.10339	0.3
233.06590	1.3
237.11249	0.7
293.08850	0.7
297.13397	1.1
311.09888	0.4
325.09299	0.3
339.14789	0.4
345.15720	0.5
459.18811	4.2
460.19159	0.3
477.19800	10.4
478.20032	0.7
519.21191	0.5
543.20673	0.3
621.24316	1.1
623.19550	0.3
640.95667	0.3
653.24713	0.3
785.28674	21.1
786.29041	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	785.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.7
58.00465	1.5
59.01250	20.4
59.59707	1.2
61.98393	1.8
61.98702	35.0
67.30891	1.1
71.01256	22.1
72.99160	5.5
73.02819	13.0
74.02352	1.2
75.00730	3.3
80.04919	2.8
80.96363	5.4
83.01246	3.0
85.02829	8.7
87.00733	5.6
88.98672	5.1
89.02346	11.0
93.03345	1.3
94.97891	1.4
95.01251	1.6
96.95857	2.4
99.00750	3.7
99.92437	3.6
101.02310	10.1
103.00235	2.0
103.17141	1.3
105.01826	6.5
106.04003	8.3
106.06473	4.9
109.02758	1.7
113.02333	8.5
116.50708	1.2
116.92738	26.7
117.01837	12.2
117.03345	10.4
117.92770	9.2
118.01340	1.5
118.92538	6.8
119.03378	11.6
119.04880	4.0
120.05505	1.3
120.99544	100.0
121.02849	1.5
121.99946	9.8
122.06004	4.5
122.99134	39.7
122.99942	5.3
123.04424	2.0
125.02312	1.7
132.04442	3.1
133.01305	3.2
133.02864	1.8
134.06024	32.1
134.97458	1.2
135.04424	1.4
136.01526	1.5
137.02278	4.6
145.02850	28.4
146.03145	1.4
148.07561	1.5
149.06000	1.3
150.03079	1.4
151.00307	1.7
151.03836	1.5
152.07034	4.7
153.01816	2.0
158.02322	2.3
160.03903	4.9
161.02321	7.5
161.04459	2.4
163.03889	3.5
179.03368	4.0
179.90501	1.2
190.05017	3.3
193.05074	1.1
203.06992	1.8
205.04907	1.7
213.10364	8.1
213.11990	1.5
225.00732	2.9
225.10266	3.1
227.11835	2.4
239.11684	2.3
241.13495	1.7
247.08604	1.6
249.06653	1.7
249.10173	1.3
251.11995	1.8
265.09769	1.9
267.11395	7.6
277.09750	3.3
279.11365	2.2
285.12369	4.5
305.09186	5.0
307.08035	3.7
313.13217	1.6
316.14447	4.8
324.11319	2.3
327.13437	3.7
328.14230	1.8
337.12076	2.2
338.12421	1.4
340.11121	1.2
340.14539	12.4
342.12509	2.0
354.12430	1.8
355.12839	1.3
356.14044	3.1
358.15533	3.4
366.11942	1.8
368.10074	2.9
368.14096	2.2
370.15445	1.9
382.15549	1.8
384.13306	7.8
386.14880	1.3
396.13318	1.6
397.14362	1.3
398.15051	6.5
399.15491	1.7
400.16586	2.1
410.14835	4.4
412.16611	3.9
426.14404	2.5
438.14435	2.5
444.16016	1.9
477.21085	5.7
489.19003	1.3
492.83212	1.4
503.33807	1.5
517.31427	1.8
531.20282	1.8
573.21143	3.3
591.21863	4.7
592.23041	2.8
662.23041	4.1
679.37048	7.5
685.28772	2.7
711.26117	4.0
712.27246	2.9
725.28278	3.0
753.27655	81.6
754.27991	20.3
785.30334	54.2
786.30731	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	785.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43548	1.1
56.97918	9.2
59.01247	18.4
59.81242	1.2
61.98703	100.0
71.01251	22.8
71.51357	1.9
72.99184	2.9
73.02819	5.1
74.98972	32.4
75.00739	1.6
78.95782	4.2
79.95578	3.1
80.04923	2.2
80.96384	7.0
83.01264	2.6
83.04903	1.1
85.02823	11.2
87.00740	5.8
88.98704	4.5
89.02322	7.4
92.04993	1.5
93.03329	1.5
94.97948	1.8
95.01280	3.8
96.95887	29.1
99.00732	3.1
101.02318	8.7
106.06493	3.9
108.02032	1.5
113.02327	13.6
116.92750	2.5
117.03349	4.0
118.97964	3.7
119.03416	2.3
119.04935	2.5
119.09815	1.1
121.02848	1.5
122.06031	4.1
123.04435	3.8
125.02399	1.4
132.04471	3.3
132.69733	1.2
133.02864	13.1
134.03668	3.1
134.05998	19.8
135.04427	22.4
137.02356	4.4
137.20699	1.2
143.03407	2.0
145.02846	7.5
149.02357	3.3
152.07111	4.4
154.18108	1.4
158.02475	1.7
160.01563	1.6
160.03984	2.8
161.02353	31.4
161.04395	2.4
162.02647	2.7
163.03900	2.7
165.05421	1.5
171.10228	1.4
175.03851	2.2
178.02707	1.6
179.03419	33.6
180.03796	3.0
190.04951	1.9
192.06523	1.3
193.05054	1.3
199.20766	1.4
209.11795	5.1
213.10280	4.7
225.00551	2.6
225.10440	1.5
227.11949	1.6
237.04353	11.5
239.11917	2.1
249.06416	1.7
251.11969	1.4
267.11392	2.9
285.12540	2.5
287.19745	1.3
293.09198	1.7
299.04431	29.4
305.09305	2.6
316.14642	1.8
327.13489	3.6
337.12033	1.8
340.14514	8.2
342.39697	1.2
356.14090	2.8
358.15515	3.1
368.10129	1.9
370.15640	2.1
380.10101	1.7
382.11343	1.5
384.13507	4.3
385.13434	1.7
396.13498	1.7
398.15161	3.9
410.15079	3.3
412.16739	2.2
426.14270	2.5
438.14233	1.5
487.14539	4.9
543.69482	1.4
547.24158	1.7
582.56097	1.3
587.30902	1.6
591.22662	3.4
605.33118	4.1
651.19263	2.3
652.20074	11.4
653.20355	3.0
665.27014	1.5
681.27686	1.9
711.26904	2.5
712.26929	1.9
722.27008	4.6
749.26764	5.4
750.27429	2.5
753.27747	56.0
754.27972	19.1
767.32117	1.9
785.29523	48.6
786.29626	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	785.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00455	1.6
59.01250	19.4
61.98699	17.0
71.01250	22.0
73.02818	7.1
73.06271	1.0
80.04919	2.8
83.01250	2.9
85.02825	6.7
87.00732	1.5
89.02311	7.1
95.01260	2.0
96.95886	1.0
99.00748	1.4
101.02337	6.3
106.06494	6.0
108.04388	1.3
113.02345	7.2
116.04935	1.8
122.06023	5.1
132.04424	6.2
133.02766	1.1
134.06012	48.3
135.06372	1.0
146.06003	1.1
148.03914	1.7
152.07086	5.6
152.46037	1.1
158.02299	2.0
159.97525	1.0
160.03943	3.3
161.02353	2.8
165.53400	1.1
175.52428	1.1
179.03378	3.0
190.05020	7.2
192.06580	2.0
207.77794	1.1
213.10313	11.8
220.10974	1.1
225.10272	3.2
226.11147	1.0
227.11824	2.2
237.10388	1.1
239.11900	4.9
241.13409	1.2
249.10428	1.3
251.08252	1.3
251.11729	2.1
263.08282	2.7
265.09772	2.3
267.11426	8.3
277.09756	1.9
279.11343	2.4
285.12427	5.9
293.09286	1.2
295.10782	1.4
300.11218	1.3
301.12030	1.3
302.12827	1.1
305.09241	6.2
313.13446	1.6
316.14447	7.1
324.11359	1.2
327.13525	6.5
328.10788	2.3
328.14291	3.0
337.11890	5.0
338.12582	1.3
340.10837	2.2
340.14532	15.4
342.12564	2.2
343.13104	3.0
344.13681	1.5
354.12427	1.1
355.13226	1.2
356.14191	5.5
357.14615	2.8
358.15540	5.9
366.12228	3.2
368.10339	2.1
368.14099	2.3
370.15482	3.3
372.17255	1.5
382.15527	3.6
383.12537	1.3
384.13354	10.1
384.17438	1.7
385.13782	1.7
396.13403	4.3
397.14124	2.9
398.14963	12.1
399.15366	2.4
400.16693	3.3
410.15079	4.2
412.16800	7.1
426.14108	3.0
427.14960	1.4
438.14560	3.9
444.15665	1.7
489.19168	1.4
503.20502	1.2
505.22446	2.2
519.19257	1.1
531.20575	2.2
545.21881	2.9
573.21301	3.9
574.22357	1.5
591.22363	2.9
592.23358	4.8
605.24286	1.1
665.26172	1.7
685.28650	3.7
711.26801	2.9
712.27185	4.3
725.28149	2.6
753.27710	100.0
754.28162	27.1
785.30353	80.9
786.30652	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37244	0.6
58.00445	0.7
59.01255	13.4
61.98692	4.1
62.73351	0.6
68.99721	0.7
69.03321	2.7
71.01256	7.7
71.07875	1.2
73.02820	2.5
75.87268	0.6
80.02542	1.7
81.03319	3.4
83.01263	1.5
83.04912	3.5
84.02038	4.5
85.02823	3.4
87.00748	2.4
89.02333	5.5
95.01256	0.9
95.04886	1.3
96.95876	3.4
97.02831	8.5
97.06471	7.0
99.00750	1.7
99.04350	1.1
99.92476	0.9
101.02315	8.5
106.04093	0.9
109.06477	34.9
110.06806	2.0
111.00749	0.9
111.08025	0.7
113.02336	4.3
115.91286	0.8
116.92724	4.1
119.03367	1.5
121.06457	3.0
123.04459	0.8
123.50070	0.8
124.06669	0.7
125.09610	2.3
130.33620	0.7
133.02831	1.1
135.04420	1.6
135.08047	4.8
136.05193	1.9
137.02242	0.9
142.02592	2.3
145.04907	1.1
151.11165	1.1
161.02345	2.7
161.04469	2.8
161.09621	1.8
163.11205	21.2
165.12782	1.2
171.10182	17.8
175.11166	1.0
179.03429	1.6
179.05519	1.1
179.10612	1.0
181.12265	3.7
185.11745	1.4
189.09151	2.4
193.12286	8.9
194.12567	0.8
197.11769	1.7
199.13321	0.9
207.10204	95.7
208.10558	6.1
209.11781	6.4
211.13297	2.7
221.11760	2.0
223.13249	1.7
225.11298	35.7
225.14803	14.5
226.11620	2.0
235.08211	6.6
243.12369	1.6
243.15933	7.3
253.09254	21.9
253.14333	1.3
281.13931	1.5
291.19629	2.1
299.15088	1.0
309.20911	0.8
323.22305	2.2
327.21817	1.1
341.23309	100.0
342.23666	11.9
371.98495	0.7
421.88138	0.8
440.57883	0.8
443.19229	4.6
461.20361	10.0
462.20932	1.2
531.33490	3.2
577.32422	3.3
623.38184	1.0
637.02521	0.8
767.41711	2.1
785.43323	39.7
786.43896	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	786.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69941	0.1
61.98703	100.0
62.98399	0.2
62.99141	0.1
70.26048	0.1
78.95799	0.1
85.32599	0.1
109.53687	0.1
111.47540	0.1
129.88118	0.1
137.38133	0.1
152.99614	0.1
210.12189	0.1
268.58801	0.1
277.21719	0.1
302.54822	0.1
302.87695	0.1
328.74673	0.1
445.74387	0.1
786.49561	0.1
787.48767	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.428
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
62.98405	0.2
69.54379	0.1
69.63589	0.2
69.64013	0.3
71.01255	0.1
72.11811	0.1
78.95786	0.3
80.96407	0.2
81.28995	0.1
110.98439	0.1
225.00758	0.1
277.21811	0.2
278.22122	0.2
293.21399	0.1
295.22870	0.2
302.09375	0.1
786.38098	0.2
786.51324	0.1
787.49609	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.5
55.96452	0.3
57.03322	0.6
59.01250	6.8
61.98705	2.2
69.24680	2.9
71.01256	7.6
72.99181	2.5
73.02819	3.3
75.00739	0.5
77.39571	0.3
83.01257	1.1
85.02821	3.4
87.00770	0.5
89.02315	4.3
93.03344	2.1
95.01266	0.9
96.95912	0.7
97.02810	0.7
99.00756	7.0
101.02325	4.8
108.02061	0.4
109.02779	0.3
112.01489	0.4
113.02337	5.5
117.03352	1.1
119.04917	100.0
120.05256	4.4
121.02822	1.7
121.06487	1.0
121.10113	0.4
123.04402	0.7
125.02340	0.8
125.81062	0.3
131.03391	0.5
133.02808	1.1
135.04405	1.3
137.02347	2.6
143.03377	0.7
145.02859	4.8
148.80281	0.3
149.02425	0.3
149.04425	0.6
151.59972	0.4
152.01077	0.6
160.01604	0.5
161.02400	2.2
161.04469	1.2
162.02803	0.4
163.03917	51.0
164.04262	2.7
165.01805	2.0
165.05463	3.1
166.05882	0.3
167.03394	0.5
175.03883	0.5
179.03453	1.0
179.05446	0.3
185.11769	0.6
191.05540	1.2
193.05087	0.4
193.58623	0.3
202.91982	0.3
225.47861	0.4
250.21971	0.3
297.11819	0.5
307.08209	0.6
329.16113	0.6
345.82199	0.4
347.17007	1.3
349.43814	0.4
389.18359	0.4
441.11969	0.3
459.13153	0.9
460.13165	0.3
461.13635	0.6
461.20285	17.9
462.20828	2.2
477.19681	1.3
479.21344	18.9
480.21631	2.5
489.23239	0.8
521.22449	1.9
545.22852	0.7
607.24121	0.4
623.25543	3.8
624.25635	0.6
677.32739	0.4
726.39362	0.4
787.30359	9.5
788.30707	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	787.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.6
58.31377	0.2
59.01254	4.9
60.70348	0.2
61.98703	1.7
71.01254	4.8
72.99175	1.7
73.02818	3.5
75.00767	0.2
83.01265	1.4
85.02820	2.6
87.00721	0.4
89.02341	1.1
93.03329	1.5
95.01295	0.3
97.02825	0.7
99.00785	1.1
101.02325	5.3
103.76244	0.2
107.80228	0.2
109.02918	0.2
112.01568	0.2
113.02337	2.5
117.03358	0.4
119.04915	100.0
120.05244	4.3
121.02862	0.3
125.02383	0.3
131.03395	0.3
133.02818	0.3
143.03409	0.3
145.02884	0.4
149.02393	0.3
149.04482	0.2
150.03151	1.2
161.02370	0.4
161.04434	1.1
163.03915	26.4
164.04243	1.3
165.05472	0.9
172.73743	0.2
179.03476	0.3
185.11751	0.3
195.06560	0.4
251.50142	0.2
296.76816	0.2
303.18204	0.7
329.16245	0.3
329.61990	0.2
330.90601	0.2
339.08551	0.5
347.17084	1.3
354.11090	0.2
359.24051	0.2
369.13266	0.7
442.72491	0.3
461.20279	6.9
462.20282	0.5
479.21320	10.4
480.21643	1.2
521.22437	0.7
545.22052	0.5
623.25452	1.1
741.91943	0.2
787.30280	18.8
788.16724	0.2
788.30444	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	787.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	3.0
58.00460	4.5
59.01251	96.7
61.98707	23.4
62.38757	2.3
69.25492	8.1
69.25915	10.5
71.01254	54.6
72.99168	9.1
73.02818	30.5
73.07186	2.1
75.00742	2.5
80.96393	2.6
81.03316	3.2
83.01249	10.7
83.86520	1.9
85.02827	17.2
87.00745	3.9
88.98668	4.5
89.02317	34.0
90.66224	1.9
93.03310	4.7
94.27991	2.0
95.01246	8.4
96.95880	3.1
99.00758	22.9
99.04395	33.2
100.01057	2.1
101.02322	41.7
107.01225	2.4
108.02033	4.5
111.00768	2.8
111.04390	2.1
113.02330	30.7
117.03338	8.5
119.03388	12.5
119.04889	14.7
121.02828	3.5
121.06437	2.6
122.03626	4.3
123.04400	3.0
125.02291	4.2
131.03363	5.8
132.02060	3.0
133.02867	16.8
134.03622	48.5
135.04425	27.0
136.01543	4.9
137.02370	12.8
143.03383	4.7
145.02844	18.0
147.04407	21.6
148.05186	6.2
149.02322	7.6
149.04433	5.8
149.05952	11.1
150.03123	25.0
151.03833	7.4
152.00998	3.8
153.01801	3.2
153.05428	3.9
158.03659	2.6
160.01616	17.9
161.02364	19.2
161.04451	8.2
162.02766	2.1
163.03871	9.1
165.01852	1.7
165.05484	23.6
170.57069	1.9
173.06013	4.2
175.03922	25.4
176.04707	26.4
177.01836	22.9
177.05362	4.0
178.02548	9.1
179.03423	30.9
179.05061	3.4
180.03795	6.0
189.12737	6.2
191.05496	3.8
191.07053	30.6
192.07501	2.5
193.04994	57.9
194.05356	2.9
195.06581	14.6
207.06549	8.2
207.12041	4.1
207.13843	35.1
209.11685	3.6
220.03677	6.5
233.11850	2.2
235.06071	57.1
236.06493	2.3
251.12869	92.5
252.13167	6.1
265.07196	16.3
269.13910	6.5
277.06772	2.5
295.08249	22.1
299.01935	2.4
308.06662	1.9
323.08994	2.2
339.08536	7.8
355.10245	18.8
369.13354	15.2
387.14386	5.6
431.19199	73.1
432.19550	8.7
449.27618	2.7
461.20392	3.6
479.21149	5.1
495.11517	2.4
535.19696	4.4
607.23822	48.8
608.23846	9.7
611.25275	7.4
651.20642	2.8
652.19916	7.8
653.20154	4.5
769.29291	2.5
787.30127	100.0
788.30859	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01734	0.7
57.03313	1.0
59.01259	6.0
61.98706	8.6
63.78606	0.5
69.03381	0.7
71.01257	7.9
71.52216	1.1
72.99189	0.7
73.02821	0.9
77.68436	0.6
78.95809	0.8
85.02827	7.8
86.00884	0.5
86.03235	0.6
87.00790	0.8
88.57936	0.6
89.02325	2.5
95.01273	2.4
95.04938	0.9
96.95915	3.9
97.02886	0.7
97.06447	0.7
99.00773	1.4
99.92470	1.1
101.02348	1.6
105.03356	1.2
109.02858	1.2
113.02332	11.9
116.92749	11.7
117.03358	1.5
123.04425	0.8
132.02097	2.4
133.02850	44.0
134.03703	4.5
135.04417	56.0
136.04770	1.8
137.02325	3.0
137.06009	1.3
139.03859	0.7
143.03304	0.7
145.02930	0.7
156.53777	0.6
159.04337	0.7
161.02354	100.0
162.02722	4.7
171.10208	1.1
173.06035	1.5
174.03142	1.1
174.06686	0.8
178.02702	3.5
179.03421	77.2
180.03712	3.3
181.05019	3.2
186.06941	0.7
187.07579	2.6
197.11670	1.2
201.05478	5.1
201.09142	1.5
202.06123	1.1
203.03445	2.4
207.10117	1.0
209.11784	3.1
227.12912	2.3
228.22470	0.6
229.08633	2.6
230.09462	4.9
231.09979	0.7
249.11322	1.0
251.05504	1.2
253.09261	0.9
299.16367	1.0
323.07700	0.8
325.09229	2.8
341.23315	1.5
351.66968	0.7
486.13504	1.2
487.14572	11.0
488.15042	0.9
517.41431	0.7
521.49438	0.7
556.20740	0.8
575.61304	0.8
625.28638	5.4
626.29242	0.7
638.81335	0.6
712.49982	0.8
718.25000	4.2
787.31549	29.3
787.45001	1.5
788.32031	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	787.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.5
59.01252	23.5
61.98703	85.5
63.99121	1.5
69.32913	5.5
69.33327	4.1
71.01253	26.0
72.99171	2.3
73.02824	6.7
75.00729	2.7
78.95773	2.1
80.04905	2.1
80.96397	1.9
83.01241	3.9
85.02828	9.0
87.00739	3.9
88.98676	2.2
89.02314	10.1
93.03336	4.8
95.01244	2.3
96.95900	8.9
96.96832	1.6
97.02852	1.8
98.20543	1.7
99.00748	1.6
101.02332	11.0
106.06493	6.2
107.03645	2.0
108.02028	2.7
109.02846	1.2
113.02336	13.5
114.43401	1.0
115.00244	1.5
116.92728	1.7
117.03354	2.7
119.04908	3.8
120.08042	3.5
121.02908	1.5
121.05192	1.5
122.06003	21.1
123.00788	2.1
123.04446	1.9
132.04417	1.9
133.02850	4.0
134.03691	1.6
134.06012	44.5
135.04401	5.2
135.06337	1.7
137.02333	8.8
137.99608	1.3
142.92140	1.1
145.02852	6.4
146.03151	1.2
148.07590	2.3
150.03142	2.5
150.05495	2.0
151.03944	2.4
152.07057	8.3
158.02382	2.1
160.01561	1.5
160.03918	2.0
161.02361	9.8
161.04503	2.6
162.05527	1.4
163.03934	4.7
165.05449	1.6
175.03850	1.6
179.03360	7.3
190.05017	7.6
192.06516	1.8
197.10670	1.5
211.08730	1.7
215.62402	1.1
221.10762	7.5
223.08672	3.8
224.09497	1.5
225.10306	2.4
229.70305	1.1
235.08679	1.8
237.10210	2.3
238.10924	1.5
239.11725	2.9
248.09583	1.9
249.06448	1.5
249.10329	6.7
251.08253	3.0
251.11842	5.3
261.10168	1.5
262.07486	3.0
262.10440	1.1
263.08331	7.0
263.11819	3.1
264.08939	5.2
265.09756	7.2
269.12955	2.3
275.08295	1.2
276.09067	2.6
277.09848	11.3
278.10458	3.1
279.11395	15.6
280.11673	1.4
284.35178	1.2
291.08405	1.6
291.11282	8.5
292.11804	1.8
293.08997	1.4
295.11108	1.9
296.11301	2.4
303.07645	1.3
305.09357	16.5
305.12662	2.8
306.09555	1.7
317.09143	2.1
323.10474	2.6
337.11823	4.7
342.16077	6.9
346.15811	1.7
355.65649	1.3
360.17111	1.8
368.13959	1.5
370.15295	1.8
372.17032	3.1
384.17184	2.4
386.14749	2.8
386.18976	2.3
398.15057	3.4
402.18622	1.7
408.17627	1.2
411.15912	1.7
412.16541	2.6
424.16785	1.8
426.18057	2.8
428.16046	1.8
430.17505	3.4
431.25723	1.2
439.18762	1.3
452.16135	1.8
454.17908	1.3
461.19736	2.1
470.16821	1.7
471.17749	2.3
472.18823	5.4
490.19843	1.2
522.22375	1.4
592.22717	2.7
593.24017	2.3
625.26532	1.6
632.22546	12.9
633.22742	3.9
664.25122	100.0
665.25500	19.5
687.29663	1.4
713.27966	7.4
714.28375	2.1
719.25415	3.2
755.29260	42.5
756.29437	9.1
762.93951	1.4
787.31842	50.3
788.32245	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	787.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.5
59.01254	5.6
61.98702	4.9
65.40328	0.4
66.91485	0.4
69.03336	0.9
70.59468	0.4
71.01251	5.7
71.52225	0.5
72.99172	0.5
73.02818	1.3
78.95776	0.7
80.02539	1.5
81.03333	1.7
83.01266	0.9
83.04893	5.7
84.02040	3.2
84.52444	0.5
85.02827	2.5
87.00745	1.9
89.02313	3.5
89.02805	0.6
95.04887	0.9
96.95893	1.8
97.02831	0.6
97.06458	4.7
98.06770	0.4
99.00780	0.5
99.04385	0.7
101.02322	4.0
107.03278	0.5
107.04932	0.4
113.02334	2.6
114.32885	0.4
116.92741	6.2
117.92779	0.5
119.03401	0.7
121.02867	0.6
123.08076	0.6
125.05994	0.5
125.09597	0.9
133.02840	2.8
135.04414	3.1
135.08047	0.7
137.02327	0.6
137.09561	0.7
143.03397	0.9
145.04921	0.5
161.02370	6.4
161.04449	2.2
162.02698	0.4
163.11232	4.3
165.12770	2.4
171.10185	11.5
172.10497	0.9
174.03123	0.8
175.47258	0.5
179.03415	4.9
181.12282	0.6
191.10677	0.8
193.12250	6.5
197.11862	0.9
203.10689	0.5
207.10306	0.5
209.11766	100.0
210.12083	5.8
211.13309	2.4
221.11716	1.4
223.13193	0.4
225.11320	1.1
225.14911	7.2
227.12851	12.0
227.15134	0.6
228.13152	0.7
235.08215	4.9
239.12805	0.5
243.15994	4.3
247.09717	1.4
253.09250	15.4
253.14413	0.7
254.09543	1.0
291.19629	1.2
309.20599	0.5
323.07648	0.7
323.22375	0.8
325.20224	1.3
327.21802	1.0
328.22076	0.6
341.23300	67.2
342.23578	6.0
445.20880	1.2
446.43390	0.5
464.76132	0.5
487.14215	0.6
533.34937	2.3
577.32220	1.3
578.20923	0.4
769.41510	0.6
787.30914	1.3
787.43237	0.8
788.30634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.8
57.03570	0.3
59.01253	5.5
59.23747	0.3
61.98708	3.8
67.01810	0.3
69.03323	1.5
71.01255	5.6
71.04881	0.6
71.06326	0.3
71.06677	0.5
71.19189	0.3
72.99178	0.3
73.02817	1.4
75.00751	0.5
78.95782	0.8
80.02541	1.4
81.03330	1.1
83.01268	0.6
83.04894	5.4
84.02037	2.3
85.02811	2.3
87.00743	2.0
89.02305	2.8
93.03301	0.5
95.01286	0.4
95.04893	1.4
96.95898	2.5
97.02843	1.0
97.06473	5.5
99.00764	0.6
99.04375	0.4
101.02326	4.1
109.02817	0.4
109.06461	0.5
113.02325	3.2
116.92735	1.9
119.03385	0.8
125.05990	0.4
125.09604	1.0
127.07565	0.3
133.02861	3.5
134.03593	0.5
135.04416	3.1
135.08035	0.7
137.02335	0.5
137.09572	0.9
143.03426	0.7
161.02359	6.4
161.04453	2.1
163.11203	4.2
165.12784	2.6
171.10191	8.3
175.11150	0.6
177.12790	0.5
178.02678	0.5
179.03433	4.7
179.05070	0.4
179.05623	0.4
181.12274	0.7
185.11836	0.7
191.10721	1.0
193.12245	7.2
197.11768	1.1
207.10233	0.6
209.11774	100.0
210.12112	7.3
211.13309	3.0
215.12854	0.5
221.11732	1.1
225.11389	0.8
225.14911	11.9
226.15218	0.7
227.12849	9.7
228.13095	0.6
235.08191	4.6
239.12859	0.5
243.15973	5.3
253.09250	14.7
253.14534	0.8
254.09698	0.8
291.19678	1.1
305.21112	0.5
309.20667	0.5
323.22189	1.3
327.21741	0.7
329.13754	0.6
341.23309	66.7
342.23700	6.6
371.15213	0.8
436.72549	0.3
445.20743	1.4
487.14523	0.6
533.34924	2.0
534.35065	0.4
551.35999	0.5
576.18231	0.9
577.32477	2.0
690.25018	0.6
787.30133	0.7
787.42865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62943	1.1
57.03320	1.6
59.01006	1.1
59.01255	15.0
59.01548	1.9
61.98706	19.4
68.99672	1.2
69.03316	1.1
69.28544	7.0
69.28961	2.4
71.01254	14.1
71.57909	1.0
72.99170	1.4
73.02825	1.9
81.03316	2.2
85.02819	8.5
87.00745	1.6
88.46020	0.9
88.98698	1.7
89.02326	8.1
93.03365	5.9
95.01259	5.7
96.95882	9.3
99.00775	2.0
101.02325	9.6
108.02055	97.1
109.02856	37.6
111.04393	1.1
113.02339	5.4
116.92750	9.6
117.01969	1.0
117.02586	1.6
117.03352	25.4
117.92742	2.2
118.03646	1.5
118.92571	1.2
119.03442	2.1
119.04913	24.7
120.05206	1.4
121.02799	4.0
121.10085	1.2
123.00798	5.4
123.04371	4.4
133.02815	4.1
133.06490	2.1
134.03583	2.6
135.04443	5.3
136.01573	2.3
137.02350	15.8
138.02710	1.5
145.02853	74.0
146.03177	2.4
150.03055	1.6
151.03893	2.6
152.01060	100.0
153.01852	32.6
153.05396	1.9
154.02222	1.1
160.01579	2.4
161.02377	6.8
161.04491	2.4
161.05934	4.6
163.03917	15.7
164.04234	1.3
165.01797	2.8
165.05356	2.1
165.09142	2.7
166.02559	1.3
175.03870	3.0
177.01851	1.7
177.05376	1.4
179.03380	3.5
181.04860	1.7
182.02008	1.1
183.10210	1.2
205.05034	5.3
227.12962	1.2
235.05960	1.7
265.07019	1.3
314.56909	1.2
315.07150	2.5
345.15552	6.1
394.99704	1.0
416.02112	1.1
417.15240	1.7
461.15204	4.9
643.22449	44.7
644.22791	7.3
789.25842	98.6
790.26282	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	789.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.7
58.00467	1.7
59.01256	16.5
61.98704	36.2
70.60915	4.3
71.01257	18.1
72.99165	2.6
73.02805	4.7
75.00744	1.9
78.95760	3.0
81.03322	2.1
83.01252	3.1
85.02824	12.7
87.00751	3.8
88.98651	3.0
89.01906	1.4
89.02320	13.6
93.03343	7.4
95.01246	6.4
96.95889	11.4
99.00732	3.5
101.02319	12.0
108.02053	83.5
109.02849	30.7
113.02312	11.6
116.92743	11.2
117.01803	3.1
117.03345	29.0
117.92728	3.0
119.03387	3.1
119.04926	24.0
121.02805	4.5
123.00732	4.4
123.04358	5.5
125.02329	2.2
133.02791	6.3
133.06438	2.6
134.03554	4.1
135.04431	8.8
137.02339	22.4
138.02621	1.6
141.98643	1.6
145.02853	92.1
146.03160	2.5
150.02995	1.7
151.03879	5.5
152.01056	91.8
153.01849	35.0
153.05420	2.9
160.01515	6.0
161.02365	12.0
161.05975	7.2
163.03937	16.8
164.04225	1.7
165.01868	2.6
175.03857	4.9
177.01837	3.6
177.05475	2.2
179.03337	5.2
181.05013	3.4
193.04977	2.9
205.04944	5.8
235.06134	1.7
265.07104	2.2
307.07983	2.5
345.15494	5.9
417.15482	2.2
441.12381	1.8
445.92026	1.4
461.14444	16.6
462.14386	2.6
469.28952	1.6
484.76740	1.5
563.92834	1.6
643.12695	2.6
643.22394	36.8
644.22852	5.2
789.25787	100.0
790.26367	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	789.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.3
57.03299	0.2
59.01251	5.2
68.27222	0.2
69.95229	0.8
71.01254	5.6
72.99174	1.3
73.02811	3.3
80.02549	0.6
81.03314	0.3
83.01254	0.6
85.02828	2.6
87.00748	0.3
89.02316	7.5
93.03280	0.2
95.01257	1.2
97.02839	0.4
99.00757	16.1
100.01069	0.3
101.02322	3.2
107.01273	0.2
108.02051	47.8
109.02333	1.7
113.02331	8.9
114.02657	0.3
119.03424	0.7
119.04894	0.2
121.02830	0.2
121.10112	2.6
123.00825	0.3
123.04403	18.5
124.04745	0.6
125.02314	0.7
128.56548	0.2
131.03377	1.8
133.02791	0.2
143.03407	1.0
145.02875	0.4
149.04465	7.9
152.01054	100.0
153.01390	3.9
161.02370	0.4
161.04451	4.1
165.09134	4.6
167.03409	86.5
168.03732	3.8
174.95018	0.2
179.03410	0.3
191.05528	6.3
192.05888	0.3
207.10182	1.2
221.34468	0.2
233.06631	3.7
237.11281	2.1
290.84982	0.2
293.08780	2.0
297.13474	2.8
298.13724	0.4
311.09769	0.5
339.14401	1.4
345.15671	0.7
354.50159	0.2
381.15506	0.8
441.17386	0.3
459.18692	12.7
460.19046	2.0
477.19760	29.6
478.20224	3.3
501.19739	0.6
519.20709	2.2
519.37195	0.3
543.20935	1.2
561.21710	0.4
621.23962	5.2
622.23914	0.8
631.27466	0.3
710.62726	0.3
789.28156	17.3
790.28717	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	789.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00449	1.0
59.01252	55.6
61.98705	8.2
63.60926	0.6
71.01262	6.7
71.51012	1.0
72.48903	0.7
72.99179	0.6
73.02838	1.0
78.95777	1.5
85.02824	1.4
87.00793	0.9
88.98683	1.6
89.02309	1.9
91.01790	0.7
93.03323	5.1
96.95889	3.0
97.02825	0.7
98.01056	0.7
99.00722	0.8
99.13645	0.7
101.02328	3.2
105.03335	0.7
107.04928	2.4
108.02052	0.9
108.70678	0.6
109.02834	2.3
113.02335	3.4
116.92733	2.7
121.02846	12.2
123.03601	1.0
123.04390	6.3
127.19667	0.7
133.02815	4.1
135.04425	2.3
137.02390	1.3
145.02919	0.7
149.02347	7.6
150.03084	1.5
151.03894	5.5
160.34740	0.7
161.02354	4.7
161.04480	3.1
161.05882	1.2
163.03926	0.8
165.01868	3.8
171.10176	3.7
177.01830	2.9
179.03418	100.0
180.03815	4.3
183.13927	1.2
184.14055	0.7
191.03387	3.9
195.13860	1.4
197.11703	1.6
201.11224	0.9
209.04492	39.8
209.11792	10.8
210.04874	1.1
210.12151	4.7
211.13210	0.9
213.14908	25.1
214.15314	1.4
225.11415	1.1
235.08083	1.1
237.14952	1.1
253.09213	2.4
254.09549	1.1
255.15973	1.2
309.17068	1.0
309.20569	0.9
313.10284	0.9
327.21536	0.7
341.23239	3.4
342.23672	3.9
343.24466	2.2
371.11356	3.0
510.91144	0.7
789.41272	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	5.2
61.98705	100.0
71.01262	5.7
71.51511	3.3
73.02865	2.0
73.41838	1.7
78.95770	5.6
88.15943	1.5
88.98671	5.3
89.02294	2.1
97.02825	2.3
97.06406	1.9
101.02299	1.9
109.06466	3.8
112.10355	1.8
152.99480	3.7
163.11279	2.1
171.10188	5.4
179.03456	2.3
197.11719	2.4
207.10170	12.8
209.11798	4.1
211.13177	3.7
223.13324	5.1
225.11324	6.3
235.08096	3.3
253.04764	1.7
253.09267	6.2
291.19638	4.8
293.21259	4.9
309.20688	14.4
327.21799	2.4
461.20151	3.2
476.53033	2.1
491.72464	2.5
545.30103	2.4
607.56360	1.8
619.76196	1.8
661.76428	2.3
663.08002	1.8
753.40918	6.3
789.39374	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	6.5
61.98704	100.0
68.99448	4.7
69.03321	5.0
71.01247	12.2
71.51456	3.4
78.95766	12.2
84.10022	2.2
85.02827	3.0
97.02827	2.7
103.91893	2.8
109.06509	9.0
110.98431	3.8
111.08028	2.9
112.98472	5.8
112.99799	5.5
113.02357	23.8
113.03146	2.5
113.03436	3.0
152.99513	3.0
159.38374	2.3
161.04492	2.7
163.11240	4.8
171.10191	9.7
184.15999	2.3
197.11755	15.0
207.10207	33.6
209.11794	7.3
210.18698	2.3
211.13324	4.2
225.11252	7.0
229.14430	3.6
235.08276	3.2
253.09282	13.7
282.64984	2.3
291.19708	8.8
309.20721	31.6
310.20920	2.9
327.21527	6.3
329.23160	6.4
443.19128	4.2
461.19965	5.7
550.38141	2.2
553.21338	2.8
753.40698	18.6
754.39703	2.7
789.46747	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	791.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.4
59.01252	6.7
59.07817	0.3
61.98703	4.8
68.52525	0.3
71.01256	5.1
71.50819	0.4
72.99171	0.6
73.02827	1.0
73.91723	0.3
74.73560	0.2
77.03821	0.4
78.65920	0.3
78.95766	0.3
80.64837	0.3
83.01258	0.7
83.02366	0.5
85.02824	4.5
87.00745	0.6
88.98682	0.7
89.02327	2.6
89.03843	0.4
93.03380	0.6
95.01266	1.0
96.95868	0.7
99.00747	0.5
99.92482	0.4
101.02311	1.4
102.05447	0.4
105.03340	0.8
113.02330	6.3
115.01788	0.7
116.92752	4.4
117.01853	0.6
117.03363	2.2
119.03365	0.4
119.04913	0.4
123.04449	0.9
131.03456	0.3
132.02071	3.5
133.02855	47.4
134.03261	1.7
135.04413	7.7
137.02306	1.3
141.01599	1.3
143.03345	0.5
145.02831	1.1
150.03090	0.4
159.03166	0.7
160.01607	0.5
161.02351	100.0
162.02701	5.9
163.03967	0.6
171.10172	0.4
174.05495	0.9
175.03984	0.4
179.03430	3.9
193.05025	0.6
207.10338	0.3
209.11819	0.5
253.09468	0.4
303.11264	0.4
483.17618	0.8
629.23163	2.2
630.23401	0.5
791.26593	18.5
791.39197	0.8
792.26843	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	791.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.3
58.00454	0.4
59.01249	4.1
61.98705	4.1
64.23117	0.3
70.95218	0.6
71.01258	4.8
72.99175	0.5
73.02823	0.8
74.02351	0.4
75.00751	0.5
76.89953	0.2
85.02831	4.0
87.00774	0.6
88.98688	0.6
89.02329	2.1
95.01263	1.2
96.95876	0.6
99.00683	0.3
99.92466	0.6
101.02322	1.2
103.03838	0.3
105.03337	1.3
113.02336	5.8
115.01810	0.5
116.92754	6.5
117.01843	0.3
117.03355	1.4
117.92751	0.4
119.03403	0.9
119.04929	0.3
121.02859	0.4
123.04422	0.9
132.02071	3.4
132.02975	0.4
133.02853	42.9
134.03136	1.5
135.00536	0.3
135.04424	6.8
136.04808	0.3
137.02354	0.4
145.02859	0.9
151.03944	0.5
158.02356	0.4
159.03178	0.7
160.01617	0.5
161.02354	100.0
162.02692	4.6
163.03864	0.4
171.10205	0.4
174.05551	0.8
179.03397	3.4
193.05061	0.4
202.05324	0.3
209.11864	0.4
213.14790	0.7
242.85608	0.3
272.52545	0.3
277.61795	0.3
332.93732	0.3
405.32675	0.3
455.70511	0.3
483.17685	0.8
629.23718	2.4
630.23712	0.5
791.26642	17.7
792.26965	5.3
792.40009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.4
57.03322	0.5
58.00468	0.4
59.01251	13.2
69.03323	0.4
69.73170	1.6
71.01254	9.2
72.99189	3.2
73.02815	5.6
80.02534	0.5
83.01259	2.6
85.02826	3.9
85.99962	0.3
89.02326	2.9
91.01739	0.4
95.01261	1.3
97.02845	0.9
99.00748	1.8
100.84364	0.3
101.02322	9.4
108.02053	47.2
109.02403	1.0
111.00738	0.6
112.01566	0.6
112.94887	0.3
113.02329	6.2
119.03394	0.9
123.04408	18.2
124.01548	0.3
124.04745	0.9
125.02336	1.0
131.03380	0.7
137.02298	0.6
143.03395	1.2
149.04625	0.5
149.05983	5.8
150.03082	0.5
152.01056	100.0
153.01385	4.2
155.03427	0.3
158.35088	0.3
159.02914	0.4
161.02409	0.5
161.04501	2.2
165.05489	0.4
165.12695	0.3
167.03412	81.9
168.03731	3.5
185.11777	0.7
203.05493	0.4
221.06609	0.4
285.04092	1.7
293.08963	0.6
303.18152	1.5
329.15964	0.9
347.17081	2.9
443.15625	0.9
461.20273	25.3
462.20746	2.8
474.00842	0.3
479.21317	29.2
480.21811	3.3
503.21579	0.4
521.22339	3.2
522.22528	0.6
545.22308	1.3
563.23645	0.5
623.25494	5.0
624.25879	0.8
629.21844	0.4
791.29755	21.2
792.30145	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	792.542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76235	0.2
61.98705	4.7
71.04888	0.7
97.89657	0.3
98.20565	0.7
106.28202	0.3
132.74596	0.3
160.92148	0.3
163.84943	0.3
209.11696	0.9
227.12813	0.4
253.09286	0.4
309.20792	0.7
310.21222	0.5
407.33215	1.3
423.32742	0.6
425.34436	1.0
427.32327	1.1
443.35431	0.6
451.17233	0.4
453.54733	0.3
469.33231	12.8
470.33545	2.0
486.83148	0.4
487.34293	100.0
488.34647	17.2
488.41940	0.7
644.35925	0.3
792.41925	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.3
61.98702	1.7
71.51915	0.2
73.02818	4.4
74.02342	0.3
75.00738	0.6
78.95772	0.4
79.60980	0.2
99.00743	1.1
99.92458	9.4
100.92467	0.7
104.03432	0.3
106.15997	0.2
114.93288	0.7
116.92745	100.0
117.01816	8.7
117.92756	4.8
133.02916	0.2
161.02441	0.3
181.75909	0.2
209.11806	0.2
253.45915	0.2
293.21155	0.3
353.28488	0.2
368.63007	0.2
691.91943	0.2
772.33606	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23656	0.1
59.01243	0.6
61.98702	1.1
68.80428	0.1
71.01254	0.5
72.99175	0.2
73.02820	8.9
73.93890	0.2
74.96661	0.1
75.00738	1.5
89.02317	0.3
98.20554	0.4
99.00750	1.8
99.92456	9.1
100.92490	0.3
100.93201	0.2
114.93293	0.6
116.03431	0.4
116.92744	100.0
117.01820	15.9
117.05470	0.3
117.92761	4.8
118.02133	0.2
146.30667	0.1
161.02295	0.2
161.70015	0.1
207.10306	0.2
229.61139	0.2
277.21683	0.3
277.76776	0.2
303.39661	0.2
353.08215	0.2
397.13663	0.4
422.68338	0.2
455.05298	0.2
513.75677	0.2
693.02850	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10812	0.2
56.33117	0.2
59.01244	0.7
60.99179	17.2
61.98707	3.4
62.60077	0.3
71.01249	0.7
72.99198	0.3
73.02813	0.3
79.52823	0.2
81.04629	0.2
85.02822	0.3
87.00759	1.1
88.00291	1.9
88.98679	100.0
89.02314	3.8
89.95589	0.2
89.99031	1.2
93.01734	0.2
97.66656	0.2
101.02316	0.4
105.01818	0.6
113.02335	0.4
116.92744	2.1
117.03367	0.3
117.92763	0.3
119.04882	0.3
129.01158	0.3
135.04361	0.4
138.36134	0.3
145.02843	0.9
153.58037	0.2
161.02353	0.8
163.03896	0.7
179.03448	0.5
192.84494	0.3
193.05003	0.3
207.10243	0.3
209.11769	0.8
215.07259	0.2
412.50934	0.3
486.71683	0.3
503.33844	0.3
703.44208	0.3
793.40454	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	3.9
59.01247	19.0
60.82098	1.4
61.00590	1.7
61.98702	32.3
63.59813	1.4
69.41583	3.0
69.41981	8.6
70.90696	1.4
71.01253	19.6
72.99194	2.7
73.02821	11.6
78.95735	1.9
81.03322	2.8
83.01260	54.7
85.02820	8.1
87.00743	1.6
88.98692	3.3
89.02309	9.5
93.03348	5.6
95.01277	2.4
96.95889	6.5
97.02834	5.0
99.00756	22.4
101.02321	50.2
102.02662	1.5
108.02070	1.8
109.02847	2.5
113.02331	13.7
116.92754	2.7
119.03403	2.5
119.04939	5.0
121.02849	1.6
123.04409	3.6
125.02330	5.9
127.00272	35.5
128.03442	1.8
129.01849	2.3
133.02876	8.8
134.03641	3.3
135.04405	7.0
137.02351	12.5
141.01886	2.5
143.03439	3.5
145.01341	9.4
145.02870	5.6
150.03114	1.8
151.00316	4.4
151.07529	5.3
152.01003	1.9
160.01582	2.0
161.02335	22.3
161.04443	3.5
163.03951	5.7
165.05443	1.7
165.09270	1.6
167.03574	1.7
167.71544	1.6
169.01353	3.5
175.03992	2.4
177.01834	5.2
179.03400	11.8
180.03770	2.4
193.05092	2.6
194.41805	1.5
199.97987	1.6
201.05513	1.7
209.02727	6.7
209.11826	3.0
253.02069	1.8
284.03180	2.0
286.03680	1.8
289.05661	41.5
301.07047	1.7
302.07520	2.7
345.15555	3.3
443.31482	3.0
459.34848	2.0
465.17737	9.3
466.18597	1.9
485.32742	19.6
486.33261	3.9
487.33878	1.7
503.33777	76.5
504.34061	13.8
613.41046	2.0
631.26129	2.1
731.25317	7.3
775.44440	3.4
793.40320	100.0
794.26727	2.4
794.40759	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.8
60.99177	17.3
61.98700	4.0
71.01258	1.9
72.99179	0.7
78.95754	0.4
83.01244	0.3
83.04901	0.3
85.02827	0.5
87.00757	2.6
88.00269	1.9
88.98677	100.0
89.02312	4.3
89.99028	1.3
93.03321	0.3
95.66272	0.2
96.95885	0.3
97.25961	0.2
101.02322	0.7
113.02334	0.7
115.00285	0.2
117.03314	1.7
119.03384	0.3
119.04939	2.3
123.04381	0.3
133.01349	0.3
133.02840	0.6
135.04427	0.7
137.02342	1.4
145.02859	6.9
146.03242	0.3
151.03903	0.3
161.02356	1.0
161.04443	0.4
163.03922	2.4
171.10199	0.5
177.01869	0.5
179.03433	0.9
201.12701	0.2
207.10202	0.3
209.09952	0.3
209.11790	2.7
210.12207	0.3
227.12880	0.3
281.60846	0.2
471.35037	0.4
487.34381	0.5
571.38312	0.6
589.39716	0.4
633.38098	5.5
634.38599	1.0
760.21429	0.3
795.43817	2.2
796.42847	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	0.6
58.32311	0.5
59.01252	3.7
60.99175	2.0
61.98703	15.0
71.01253	4.6
71.04909	0.8
71.50504	0.6
71.50946	0.6
72.99194	1.6
73.02826	0.8
75.00753	0.7
85.02820	1.9
87.00764	2.2
88.98678	8.8
89.02319	3.1
93.03327	0.8
96.95923	0.7
101.02335	2.8
110.50853	0.5
113.02342	2.7
117.03345	25.4
118.03700	0.9
119.03404	1.6
119.04916	19.0
120.05210	0.5
121.02850	1.9
123.04403	1.2
125.21609	0.5
133.02850	1.9
134.03639	0.7
135.04425	1.7
137.02347	6.3
145.02855	93.0
146.03207	4.8
149.05981	0.6
161.02368	2.1
161.04518	1.6
162.03081	1.0
163.03918	13.4
163.05202	1.0
164.04305	0.6
175.03964	0.6
177.01874	1.2
179.03406	1.6
205.74156	0.5
209.11803	0.8
229.87068	0.5
342.52774	0.5
469.33319	0.9
471.34863	15.1
472.35428	2.6
487.26859	0.6
487.34406	1.0
571.37891	0.8
589.38745	3.2
590.39349	0.8
615.37347	2.8
616.37854	0.8
633.37939	100.0
634.38324	24.8
675.39215	1.0
762.04279	0.5
795.43378	29.1
796.43872	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	796.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80891	0.1
59.01254	0.2
61.98702	100.0
62.98398	0.2
78.95791	0.2
89.80241	0.1
98.29266	0.1
125.60594	0.1
147.90344	0.1
164.29124	0.1
195.13768	0.1
195.59604	0.1
209.11964	0.1
223.13402	0.3
224.13821	0.1
229.29366	0.1
238.35439	0.1
277.21875	0.3
278.22040	0.1
291.19916	0.2
292.20187	0.2
381.73935	0.1
631.83844	0.1
797.40167	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	8.9
67.88493	1.3
68.99685	2.6
69.76647	1.5
69.79916	6.6
71.01257	10.0
72.99168	2.9
73.02814	4.9
75.00739	1.6
79.61361	1.7
83.01245	4.9
83.51011	1.5
85.02838	12.8
87.00764	6.8
89.02306	6.3
95.01260	2.3
95.68053	1.4
98.19783	2.2
99.00758	27.8
101.02334	2.9
111.00775	2.5
113.02325	11.2
113.99474	16.2
115.00288	11.7
121.10048	1.7
127.00271	4.5
129.01808	2.6
131.03235	1.9
135.04428	3.2
139.00249	1.9
149.04440	1.5
154.99805	1.5
157.01404	2.8
161.02327	3.6
169.01317	1.9
174.01653	8.1
175.02373	5.0
178.34299	1.7
179.03300	2.5
181.01053	1.4
191.05554	2.2
277.05695	1.9
285.04022	4.0
313.90076	1.7
335.06284	2.5
351.05554	2.5
449.06543	1.5
477.19849	2.5
555.06610	1.4
737.25079	4.4
779.26941	1.9
797.27216	100.0
798.27539	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	797.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.1
58.00469	2.6
59.01254	62.2
61.98703	20.9
71.01254	50.1
72.01589	1.8
72.99180	5.7
73.02821	8.0
75.00727	2.1
83.01253	6.8
85.02347	1.9
85.02823	17.6
87.00742	7.0
88.98673	2.5
89.02318	26.9
93.03352	1.4
95.01250	3.8
97.02822	1.7
99.00739	3.7
101.02327	29.2
113.02329	22.4
114.93126	0.9
115.00237	2.8
116.92720	3.9
117.03278	1.1
119.03409	9.0
119.04913	3.2
123.04373	1.2
125.02367	2.1
131.03392	4.1
133.01305	5.2
133.02878	2.2
133.04961	6.0
134.03600	2.1
135.04410	2.3
137.02325	4.0
143.03423	1.3
145.02852	4.9
151.03819	1.6
159.02930	2.0
160.01639	1.2
161.02377	7.0
161.04451	6.6
161.05603	1.3
163.03951	3.2
179.03459	1.9
179.05537	2.3
221.06564	5.5
245.11922	1.0
285.04089	1.6
384.69394	1.2
455.26187	1.2
471.22748	1.5
503.33682	8.3
617.31763	100.0
618.32129	14.8
635.38281	1.5
734.27643	3.0
797.38245	52.9
798.38513	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	797.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	14.4
61.98711	11.3
66.11323	1.0
69.39921	5.2
69.40345	2.3
71.01286	5.1
73.02849	1.0
78.95787	1.1
81.03337	1.8
89.02341	2.6
97.02840	4.6
98.19899	1.5
99.00786	1.6
101.02330	3.8
109.06487	18.9
110.06844	1.4
113.02313	1.3
119.03409	1.2
119.31065	0.9
121.82874	1.0
123.04419	2.2
124.32007	1.0
135.08061	2.7
142.02644	2.1
161.09723	1.2
163.11212	10.7
179.14285	1.1
181.12268	3.7
189.09148	2.6
195.13879	8.3
207.10216	62.5
208.10641	3.5
209.11722	2.6
223.13329	8.8
225.11275	20.6
225.13351	2.1
226.11763	1.2
235.08179	4.0
253.09288	25.1
256.13361	1.9
275.20230	7.8
291.19553	1.1
293.21240	100.0
294.21570	7.8
309.20816	1.4
442.31866	1.1
443.19113	2.9
461.20309	5.8
483.31055	1.3
529.30731	1.4
557.60529	1.3
719.39880	1.6
719.77631	1.2
724.41895	2.6
737.41187	31.3
738.41632	6.7
762.95282	1.5
774.17603	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03282	0.4
59.01249	0.9
63.96106	2.2
68.24653	0.4
69.03316	1.2
71.00852	0.5
71.01251	9.5
73.02806	1.8
73.60860	0.5
78.73600	0.4
78.95760	0.6
78.98464	8.7
79.95607	17.0
80.96391	95.4
81.03339	1.2
83.01269	0.6
85.02821	3.5
87.00745	3.8
93.97175	0.6
94.97964	22.4
95.01281	0.6
95.89494	0.4
96.95895	1.2
97.02846	1.7
99.00751	1.1
99.04381	0.7
101.02305	3.3
106.97964	4.1
117.31912	0.4
122.97470	4.7
125.02322	4.0
127.03857	0.6
134.97484	6.4
136.42953	0.5
136.98987	2.2
148.99052	7.5
152.98532	7.6
164.98538	17.4
167.00058	1.0
183.56529	0.5
188.98528	0.6
206.99652	3.6
209.11720	2.0
216.92982	0.5
225.00694	28.9
226.00990	1.1
228.20732	0.5
255.23177	1.6
424.49182	0.4
509.17123	0.6
537.27234	2.0
541.19788	2.4
765.41064	1.2
797.43579	100.0
798.43933	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.0
63.96125	1.2
71.01254	8.7
73.02821	1.4
78.98466	7.5
79.95609	12.9
80.96394	83.7
81.03362	1.5
85.02844	3.5
87.00769	3.1
94.55491	0.6
94.97386	1.3
94.97966	18.9
96.95876	1.4
97.02843	1.8
101.02313	3.0
102.61279	0.6
106.97983	4.0
107.07848	0.5
118.94162	0.6
122.97482	4.4
125.02342	4.4
134.97464	5.6
136.99037	2.2
148.99062	8.3
152.98520	7.2
164.71008	0.6
164.98546	14.9
165.98981	0.6
167.00092	1.1
174.82942	0.6
202.40408	0.6
205.46234	0.6
206.99634	2.5
209.11780	1.9
225.00697	26.6
252.96219	0.7
255.23253	2.2
496.71414	0.6
509.17068	1.3
520.99792	0.7
537.27368	1.7
541.19446	3.0
765.41772	0.9
797.43591	100.0
798.43927	24.9
798.58929	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.9
61.98708	4.7
62.49688	0.5
69.03307	1.3
71.04890	1.3
76.56757	0.5
79.81613	0.5
97.02843	5.1
97.06466	1.0
100.73440	0.6
111.08127	0.6
117.03337	1.0
119.04887	0.7
125.09593	0.8
137.09573	0.8
145.02876	2.9
146.03178	1.3
163.11096	0.6
165.12766	2.2
171.10197	2.0
181.12334	0.9
209.11766	1.6
211.13385	1.0
223.13362	0.8
227.12811	1.7
229.72070	0.6
247.20641	2.2
291.16336	1.1
291.19669	23.3
292.20007	2.3
293.84048	0.6
309.20703	52.9
310.21088	4.3
407.33237	1.3
423.32309	0.6
425.34546	1.3
427.31918	1.2
463.85089	0.6
469.33185	14.0
470.33728	2.5
487.34302	100.0
488.34589	18.7
507.09915	0.6
543.68359	0.6
548.03900	0.6
634.38885	1.1
635.38580	3.9
694.06366	0.6
797.43463	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	797.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91043	1.5
61.98710	15.9
69.03347	1.8
75.34219	1.4
78.95785	2.9
96.95863	2.2
97.06480	2.0
97.49971	1.7
98.19801	5.2
101.02341	2.1
111.08012	12.1
127.07533	1.7
127.96232	2.0
145.02785	2.2
154.94485	1.5
169.12274	2.9
197.11766	51.9
199.13329	2.8
209.11786	3.0
211.13310	5.7
229.92392	1.7
263.20026	2.8
265.18155	1.8
291.19681	12.4
309.20694	100.0
310.21066	12.2
423.32727	5.7
441.33588	2.7
469.33215	6.0
487.34311	44.3
488.34671	7.0
698.19055	1.7
700.38080	2.2
754.98663	1.8
758.26624	1.7
797.41614	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	798.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08017	0.2
59.01237	0.3
61.98706	100.0
70.91139	0.2
71.01285	0.3
71.51776	0.2
78.65532	0.2
96.95892	0.3
116.92755	1.5
132.06909	0.2
135.04489	0.3
171.10291	0.4
179.03508	0.4
180.16063	0.2
197.11819	0.4
207.10211	0.3
209.11884	0.4
241.24406	0.3
258.93634	0.2
293.61850	0.2
309.20752	0.6
346.51904	0.2
388.53333	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38071	0.2
59.01248	0.4
61.98704	100.0
62.98418	0.2
71.01255	0.5
78.58779	0.2
78.98473	0.3
79.95601	1.3
80.96394	3.1
87.00780	0.3
94.97981	0.7
98.20573	0.5
134.97498	0.3
141.05365	0.2
148.99075	0.5
164.98520	0.4
179.03366	0.3
209.12013	0.3
223.13281	0.3
225.00722	1.2
225.11383	0.2
232.08533	0.2
283.04895	0.2
293.21024	0.3
510.00269	0.3
547.97357	0.2
799.39362	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	798.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01215	0.1
61.60600	0.1
61.98702	100.0
62.98400	0.2
68.81324	0.1
68.96648	0.1
70.89911	0.2
77.15364	0.1
83.25665	0.1
90.69901	0.1
134.05840	0.1
159.02963	0.1
176.58806	0.1
223.13458	0.3
224.13689	0.2
256.29712	0.1
292.07419	0.1
293.21246	0.2
294.21667	0.2
295.21973	0.1
375.22339	0.1
549.38995	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.1
59.01246	0.5
61.98703	0.3
71.01262	0.4
73.02825	0.2
81.03329	0.5
85.02816	0.3
87.00774	0.1
89.02323	0.2
89.03839	2.4
93.03348	0.4
95.01292	0.2
95.04908	0.3
99.00759	0.5
101.02373	0.3
104.02596	0.2
105.03342	3.0
105.96695	0.1
106.03675	0.1
109.02850	0.1
113.02362	0.4
116.92756	0.3
117.01797	0.1
117.03304	0.2
119.04918	0.5
120.01159	0.4
121.02855	0.3
123.04435	0.3
133.02859	9.2
134.03258	0.3
135.04391	0.6
137.02344	0.3
145.02872	0.7
149.02345	1.0
152.01056	0.2
153.01884	0.1
161.02364	1.5
161.04405	0.1
161.05940	0.1
162.02640	0.1
163.03917	0.5
167.03474	0.2
176.01088	0.3
177.01862	100.0
178.02197	5.1
178.03802	0.2
179.03445	0.7
188.37871	0.1
281.06696	0.1
321.06320	0.1
323.07654	0.3
339.07254	0.1
471.12732	0.3
477.20465	0.1
491.11743	0.3
513.13995	0.1
763.43591	0.1
799.26660	3.4
800.27509	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.9
61.98703	19.4
63.96108	1.6
66.91005	0.4
67.42270	0.4
69.03342	0.9
69.48997	3.2
70.64146	0.5
71.01257	8.7
72.99173	0.6
73.02832	1.6
78.95750	0.6
78.98467	7.2
79.95612	34.7
80.96392	88.9
81.03329	1.1
83.04897	0.5
85.02816	4.2
87.00751	3.6
88.98708	0.7
94.97963	20.6
96.95905	2.1
97.02834	2.1
98.20550	0.7
99.00774	1.0
101.02335	2.9
106.97961	4.1
122.97467	4.4
125.02347	3.7
126.02708	0.7
127.03896	1.3
134.97472	6.1
136.99040	2.2
148.99052	8.3
152.98521	6.7
161.04472	0.9
164.98544	13.8
167.00084	0.8
167.22800	0.5
171.10254	0.7
179.00089	0.6
180.94081	0.5
195.13759	1.2
197.24147	0.5
199.13353	0.7
206.99658	2.9
209.11711	0.8
223.13356	1.5
225.00706	26.7
225.11118	0.6
226.00963	0.9
227.12833	0.8
241.00209	1.2
263.23123	0.5
277.21725	0.9
283.04916	3.0
293.21237	2.2
341.05353	1.5
355.07013	1.5
397.11844	0.9
425.14987	0.8
505.17273	3.1
575.24982	0.9
577.19904	1.4
605.22815	1.2
639.05896	0.6
661.29388	1.5
701.31500	0.9
730.32690	0.7
799.39435	100.0
800.39758	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	799.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01230	2.6
61.98701	9.6
68.84390	0.9
71.01242	5.8
73.02802	1.4
75.00735	2.9
78.95773	43.0
78.98458	4.7
79.95610	6.9
80.96390	50.2
81.75029	1.0
83.04884	1.8
85.02823	1.6
87.00746	2.2
87.61580	1.1
94.97956	11.8
96.95901	1.3
96.96848	8.6
97.02859	1.6
98.19793	3.2
106.97955	2.3
116.92747	2.2
122.97466	2.3
125.02306	1.1
125.09555	1.7
127.11154	3.3
134.97469	3.8
148.99002	3.7
152.98468	2.6
152.99484	9.5
155.10643	1.1
163.11140	2.3
164.98526	8.1
201.11247	32.2
202.11453	1.5
206.99541	2.3
209.11771	25.1
210.12018	1.7
223.00121	2.4
225.00723	15.6
227.12727	2.5
229.36432	1.4
241.01151	20.8
246.14175	1.0
255.23271	22.2
256.23447	1.9
259.02194	1.9
309.25623	1.2
315.79724	1.1
366.77847	1.3
471.23917	1.1
471.96625	1.1
528.87927	1.2
619.39600	1.1
709.38434	3.5
781.40698	17.8
782.41193	4.6
799.42047	100.0
800.42334	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	799.4224
Annotation	Planktocyclin
Peak:m/z	Relative Intensity
58.00460	1.0
59.01241	0.9
61.98697	7.4
62.96244	0.8
63.96087	0.6
69.03315	0.7
69.80790	1.9
69.81194	1.2
71.01256	5.8
73.02823	1.5
75.00739	1.0
78.95775	48.2
78.98459	3.8
79.95606	8.6
80.02545	0.7
80.96389	43.5
81.03333	0.9
82.95902	0.6
83.04865	1.6
85.02808	1.5
87.00742	1.3
94.97955	9.1
95.01236	0.6
95.04930	0.6
96.95905	0.9
96.96839	11.3
97.02823	1.3
98.19864	0.7
99.00733	0.7
101.02308	1.3
106.97939	2.3
122.97468	2.0
125.02313	1.5
125.09612	2.5
127.11224	3.2
134.97499	3.7
148.99083	4.0
149.00076	1.0
151.74063	0.7
152.98463	2.8
152.99483	9.3
155.10754	1.4
163.11179	1.9
164.98544	8.4
165.09122	1.1
165.12747	1.3
171.10127	1.7
191.10741	0.6
199.09776	0.7
201.11253	32.4
202.11607	1.5
206.99605	2.0
209.11763	28.0
210.12036	1.5
223.00061	2.8
225.00682	15.6
227.12746	1.8
241.01143	23.7
241.03604	1.4
242.01433	1.5
255.23265	26.0
256.23718	3.0
259.02075	1.1
268.05527	0.7
277.21753	0.7
315.04791	0.8
381.13000	0.9
525.16449	1.3
537.27203	1.1
543.18353	0.7
609.74219	0.7
709.38385	8.0
710.38989	1.2
781.40710	17.7
782.40802	3.9
799.42120	100.0
800.42334	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	12.1
61.98704	63.5
70.77420	2.7
71.01235	4.1
75.30666	2.3
75.41619	2.1
75.76556	2.1
76.48244	2.0
83.04894	5.6
87.87052	2.2
89.02323	3.3
101.02318	4.4
133.04948	6.8
163.11156	4.9
181.12270	2.8
195.13817	7.7
209.11777	96.8
210.12033	6.1
223.13306	8.2
227.12801	10.2
235.08153	2.7
253.09248	22.3
275.20059	9.3
293.21255	100.0
294.21579	7.0
403.95151	2.5
410.36465	2.6
450.81918	2.5
761.39575	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	800.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.6
61.98703	100.0
62.98399	0.2
71.01252	0.5
71.56538	0.1
72.99189	0.2
85.02834	0.2
88.67916	0.1
95.01252	0.1
96.95908	0.5
98.19837	0.3
101.02323	0.2
103.50794	0.1
104.46860	0.1
113.02348	0.4
122.05952	0.1
133.02850	0.4
134.06033	0.2
135.04442	0.3
137.02345	0.2
161.02370	0.7
161.04489	0.1
179.03461	0.4
190.05026	0.1
205.87636	0.1
267.07468	0.1
281.09506	0.1
343.25388	0.1
487.16693	0.1
768.26660	0.2
769.26910	0.8
800.29688	0.2
801.28131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11120	0.1
61.98700	100.0
62.98403	0.2
67.72027	0.1
70.26848	0.3
78.95778	0.1
86.03652	0.1
130.33727	0.1
172.57555	0.1
190.36932	0.1
293.21182	0.2
294.21390	0.1
726.42010	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	800.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68708	0.2
59.01250	0.5
61.98703	100.0
62.38686	0.3
71.01266	0.4
71.52306	0.2
73.82693	0.2
74.76881	0.2
76.88168	0.2
78.95783	1.6
80.96395	1.0
90.73494	0.3
94.97992	0.3
96.96840	0.4
135.04413	0.2
152.99577	0.3
161.02499	0.4
179.03487	0.3
201.11273	0.7
202.11664	0.3
207.10208	0.3
209.11818	0.6
223.13478	0.3
241.01282	0.8
255.23444	0.3
256.23752	0.4
275.61880	0.2
277.21799	0.3
293.21249	0.3
390.00601	0.3
479.01288	0.3
604.60120	0.3
620.52386	0.2
679.00073	0.2
736.65796	0.3
782.42261	0.3
800.42352	3.0
801.40375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.283
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53329	0.1
59.01249	0.9
61.00637	0.1
61.98697	0.4
70.53892	0.2
71.01254	0.5
72.99182	0.1
73.02822	0.3
75.00742	0.1
77.03828	0.1
81.03329	0.5
83.01266	0.2
85.02826	0.3
89.02320	0.4
89.03842	2.6
93.03342	0.3
95.01252	0.2
95.04913	0.3
96.95893	0.4
99.00770	0.2
101.02314	0.3
105.02622	0.2
105.03339	3.5
106.03671	0.2
107.01299	0.1
108.02053	0.5
109.02844	0.2
113.02337	0.5
116.92688	0.1
117.03371	0.1
119.03371	0.1
119.04915	0.4
121.02816	0.2
123.04398	0.3
133.02852	8.8
134.03255	0.3
135.04414	0.7
137.02330	0.3
139.03922	0.1
145.02876	0.8
149.02335	1.2
149.04341	0.1
152.01042	0.6
153.01608	0.2
160.01619	0.2
161.02368	0.9
163.03932	0.4
167.03442	0.3
176.00966	0.1
177.01851	100.0
178.02182	4.6
179.03401	0.4
179.92323	0.1
187.03885	0.1
205.04919	0.1
213.23349	0.1
222.16824	0.1
230.75571	0.1
283.10870	0.2
461.20596	0.2
463.12152	0.1
477.20081	0.2
479.21179	0.3
639.35193	0.1
801.27271	0.3
801.42059	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82237	1.4
58.00458	1.9
59.01253	39.2
61.98704	65.4
71.01258	39.8
72.99147	5.7
73.02808	13.6
75.00730	2.9
83.01262	8.3
85.02825	11.4
87.00719	4.9
89.02315	17.4
93.03288	2.4
95.01217	4.3
96.95869	4.2
99.00733	2.9
101.02319	18.7
104.04897	1.9
106.06467	5.7
108.04356	2.1
112.49942	1.6
113.02322	16.0
116.04903	6.0
116.92656	3.1
117.03304	4.9
119.03401	3.7
119.04934	8.7
120.04397	4.2
121.02831	2.5
122.05949	7.9
123.04346	3.2
130.02849	7.3
130.86559	1.8
131.03391	2.3
132.04388	6.6
133.01262	3.0
133.02925	8.1
133.03741	2.3
133.04907	2.8
134.03519	5.6
134.06013	38.6
135.02850	2.4
135.04425	16.3
136.07524	5.1
137.02295	3.6
145.02827	12.0
146.05974	4.3
147.03131	3.0
148.03877	6.1
150.05502	3.3
152.06970	5.0
158.02371	18.1
160.01601	1.7
160.02768	1.9
160.03946	30.4
160.07477	1.8
161.02356	18.3
161.04385	4.4
162.02704	3.1
163.03818	5.7
164.07030	2.0
167.03294	1.9
172.03868	3.3
174.05466	2.6
175.03870	3.6
176.03366	6.0
177.01761	6.5
177.05406	1.9
179.03423	10.3
180.03665	1.9
186.05354	2.0
190.05022	47.0
191.05220	2.4
192.05096	1.8
192.06615	23.5
193.03253	2.1
193.04984	2.9
193.06648	2.4
198.09177	1.7
212.05643	2.4
214.12384	2.6
218.08223	1.9
223.95905	1.6
225.06573	3.7
225.10225	2.0
226.07285	2.3
227.08105	3.7
229.09773	17.4
233.10518	2.4
235.08794	1.8
239.08064	3.3
240.10088	4.9
241.09781	22.3
242.10368	5.3
243.11253	2.4
249.10217	3.1
253.09705	2.9
255.11293	3.5
257.12961	23.3
258.13208	2.8
261.10135	1.9
262.07321	2.6
263.08157	2.6
267.07654	2.0
268.08582	2.1
269.09033	2.3
277.06009	5.2
277.09659	9.6
279.07831	2.3
279.11008	2.5
281.09290	20.2
281.12320	2.8
283.10840	35.0
284.11084	3.4
290.02042	1.8
291.07614	2.1
301.11716	6.9
305.09274	20.0
307.10718	7.3
309.08884	11.1
322.09488	2.3
323.10239	2.0
336.11176	1.9
337.11951	24.3
338.12061	2.7
339.13229	6.6
343.13010	11.8
373.13831	5.3
383.07397	2.0
403.15070	11.8
404.15204	1.9
430.53665	1.7
485.15692	8.6
487.16641	7.8
517.18311	17.3
518.18530	1.9
519.19678	15.0
520.19592	2.5
568.23151	9.1
569.23138	1.9
571.19275	2.2
621.32001	6.2
623.19318	2.5
720.25122	7.0
725.27667	9.8
726.27209	4.8
764.35791	1.8
769.27277	100.0
770.27612	26.9
801.29321	67.1
802.30194	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	801.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03819	1.5
58.00473	4.5
59.01247	76.7
61.98701	73.0
70.91427	1.7
71.01252	65.3
72.99175	5.3
73.02821	7.0
75.00756	2.2
83.01260	5.2
85.02827	19.1
87.00762	5.0
89.02319	36.5
93.03322	8.6
95.01264	7.2
95.82635	1.6
96.95895	3.0
99.00751	3.4
99.04400	16.2
101.02319	28.8
106.06477	2.4
108.04442	2.0
113.02338	21.4
116.04944	3.4
116.92786	2.6
117.03317	4.3
118.44040	1.8
119.03436	10.2
119.04913	6.5
121.06506	4.6
122.06008	6.6
123.08063	5.0
130.02844	3.2
132.04443	4.3
133.01361	1.8
133.02855	10.1
134.06003	29.1
135.04395	10.5
136.07593	3.5
137.01440	1.9
137.02313	11.7
145.02884	12.4
146.06035	3.5
147.03165	2.4
148.03923	4.2
149.02512	1.8
149.05888	1.7
150.05524	2.8
152.07085	3.7
155.01041	1.7
158.02400	13.8
160.03961	18.5
160.05188	2.8
161.02356	28.9
161.04373	3.7
162.02698	4.3
162.05461	2.2
163.03923	7.2
163.11223	5.3
165.05441	3.4
172.03851	2.0
174.05615	1.7
175.03912	2.5
176.03400	3.4
177.01891	16.2
179.03412	15.2
180.03824	3.6
189.12791	18.2
190.05022	27.2
192.06628	13.6
198.09221	2.8
199.08672	2.2
207.13826	20.9
215.55246	2.0
227.08141	3.0
229.09778	11.4
233.11314	2.0
235.08766	2.0
239.08116	4.7
240.10443	2.9
241.09836	17.7
242.10474	7.0
249.06708	2.0
249.10365	2.8
251.08269	2.5
251.12819	6.4
253.09885	2.2
255.11305	4.8
257.12866	16.4
261.10138	1.8
263.07980	2.5
277.06155	2.5
277.09753	7.5
279.08035	2.0
279.11279	2.3
281.09256	13.8
283.10864	25.7
284.11359	3.1
291.07709	2.6
293.09213	2.2
301.11835	3.4
305.09296	16.0
306.09653	1.8
307.10913	4.2
309.08838	5.6
309.12192	2.2
314.12494	2.3
319.77417	2.0
337.12006	18.4
339.13461	5.1
343.12921	7.4
355.12967	2.4
360.00256	1.7
373.14075	3.4
388.50500	1.9
403.15033	7.8
463.17340	2.8
485.15411	7.3
487.17014	3.7
517.18231	10.1
519.19672	11.4
568.23169	6.0
621.32739	100.0
622.33044	14.5
623.19128	4.1
720.25708	12.6
725.27997	5.9
726.27771	3.1
769.27295	73.3
770.27258	14.8
801.27985	22.1
801.41394	65.6
802.29364	7.7
802.39941	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	801.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.8
59.01250	47.9
61.98703	72.6
64.56974	1.9
66.94638	1.8
71.01253	44.6
73.02809	10.8
78.98441	2.6
79.95597	5.9
80.96387	28.1
83.01250	8.0
85.02810	12.8
85.87283	1.7
87.00740	6.7
89.02324	22.8
94.97961	4.9
95.01263	3.4
96.95832	4.1
97.02847	2.5
98.19772	5.3
99.00735	2.6
101.02321	22.5
105.77010	1.9
106.06525	3.1
108.04409	3.3
113.02345	15.5
116.04926	4.6
119.03377	6.5
119.04894	1.9
120.04424	2.9
122.05977	8.8
122.97477	2.4
130.02882	6.6
132.04407	4.8
133.02885	3.4
134.06004	36.3
135.04381	5.0
136.07584	4.8
145.02826	3.3
146.05927	2.4
148.03912	6.0
148.99075	2.8
150.05498	3.2
152.07066	6.7
158.02393	19.7
160.03940	30.8
161.02319	8.0
161.04504	3.4
162.02649	2.2
164.07088	2.9
164.98491	4.5
172.04024	2.3
174.05453	4.2
176.03384	4.8
179.03365	8.0
179.05637	2.1
190.05046	42.4
191.05356	3.0
192.06577	20.7
198.09006	2.6
209.11845	9.6
210.12079	4.1
225.00734	7.3
225.06616	3.8
226.07280	3.1
227.08092	4.3
229.09775	29.5
234.84480	1.9
235.08698	2.7
239.08154	4.3
240.10338	4.6
241.09821	22.8
242.10536	4.6
249.10258	3.6
253.09729	2.9
255.11273	2.5
257.12970	16.6
262.07556	2.5
263.08200	4.5
267.07709	2.5
269.04446	6.4
277.06076	3.9
277.09845	7.9
281.09351	22.2
283.10907	42.7
284.11212	3.8
290.07095	2.1
301.11792	3.4
305.09210	20.7
307.11014	9.9
309.09003	9.5
309.12146	2.8
314.12503	3.7
323.10373	2.9
337.11942	27.1
338.12164	4.4
339.13333	6.0
343.12955	8.1
351.13666	2.3
373.13937	5.0
403.14990	13.6
485.15857	11.9
487.17062	6.5
517.18237	17.5
518.18500	3.9
519.19830	15.5
559.18982	2.2
568.23096	9.5
571.19275	5.2
621.34979	39.3
720.25580	8.7
725.27771	8.6
726.28137	2.8
769.27112	100.0
770.27734	19.1
801.30334	42.9
801.41101	14.8
802.29559	11.4
829.46979	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	801.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	2.3
58.17181	1.5
59.01255	42.2
61.98705	48.4
69.30868	3.3
69.31276	8.0
71.01260	40.7
72.99172	6.1
73.02822	9.8
83.01241	5.4
85.02830	12.7
85.16758	1.5
87.00728	5.4
88.67472	1.8
88.98669	1.7
89.02322	14.8
93.03321	1.9
95.01271	2.2
96.95863	2.6
99.00710	3.7
101.02326	21.2
104.04948	1.8
106.06486	2.8
108.04400	3.5
111.00753	1.7
113.02338	14.9
116.04899	5.5
117.03333	2.5
118.02866	2.6
119.03345	5.4
119.04927	11.9
120.04395	2.7
121.02819	2.4
122.06027	7.1
123.27514	1.4
123.81286	1.2
125.02290	2.3
130.02820	6.5
132.04439	7.3
133.02792	5.7
134.06021	40.7
135.04364	6.7
135.06288	1.8
136.07536	3.7
137.02264	5.3
144.04427	1.8
145.02881	7.0
146.02225	1.7
146.06020	2.1
147.03113	2.0
148.03850	5.8
150.05418	4.5
151.03882	1.6
152.00887	1.8
152.07022	6.1
158.02397	19.2
160.02768	2.2
160.03966	33.8
161.02338	17.3
161.04326	3.2
162.02655	3.5
162.05444	3.1
163.03964	7.4
164.06905	2.3
173.68825	1.4
174.01773	1.7
174.05423	4.4
176.03369	4.6
177.01834	2.5
179.03432	14.4
179.04845	2.0
179.05348	1.3
180.03706	3.3
186.05527	2.2
186.09117	2.9
189.12740	2.0
190.05031	48.0
191.05212	1.7
192.05055	2.1
192.06602	24.9
198.09140	3.4
204.06578	2.1
209.11652	4.3
210.12074	2.9
212.05791	2.5
214.07286	3.2
214.12158	2.0
221.07135	1.9
225.06522	2.6
226.07248	3.3
227.08125	3.9
228.08813	1.8
229.09790	34.5
231.11241	1.6
235.08701	2.2
239.08150	3.0
240.10063	5.3
241.07724	1.7
241.09811	24.5
242.10263	4.1
243.11043	4.1
249.06476	2.5
249.10228	3.0
255.11198	5.3
257.10434	1.9
257.12946	26.3
258.13132	1.8
262.07196	2.2
263.08179	2.9
268.08359	2.0
277.06036	5.0
277.09634	9.7
278.10330	2.7
279.11096	4.0
281.09375	21.6
282.09329	2.1
283.10919	47.9
284.11096	3.5
293.09064	1.7
301.11700	5.2
305.05960	1.7
305.09280	20.9
306.09564	2.4
307.10892	8.8
309.08575	8.7
309.12091	3.0
314.12497	3.0
321.08600	2.7
323.10373	1.9
332.49878	1.6
335.10181	1.5
337.11969	32.6
338.12238	3.9
339.13504	8.7
343.12994	10.8
373.13721	6.7
403.15152	13.2
415.25089	1.6
463.17065	1.9
485.15610	11.5
487.17163	8.9
499.16760	2.0
517.18317	17.8
518.17908	2.1
519.19818	17.0
520.20593	2.4
539.16962	1.6
568.23022	10.6
571.18933	6.2
572.19281	3.0
621.34424	16.0
720.26019	11.6
721.25641	2.7
725.27765	11.1
726.27124	4.7
741.67114	1.9
769.27307	100.0
770.27716	22.5
801.29004	56.8
801.40643	8.3
802.29510	13.0
802.41504	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	801.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.9
58.00463	3.9
59.01250	59.1
61.98702	59.3
71.01254	43.4
71.51900	1.5
72.99187	3.7
73.02816	5.8
75.00719	1.2
81.03309	1.1
83.01257	3.9
85.02821	13.7
87.00761	3.3
88.98640	1.2
89.02319	23.1
93.03343	6.8
93.03837	1.2
95.01263	4.4
95.04916	1.2
96.95894	1.7
97.02828	1.7
99.00751	3.5
99.04398	13.3
101.02328	19.7
105.03342	1.2
109.02894	1.1
113.02334	15.9
116.04956	2.5
117.03365	3.2
119.03400	6.7
119.04902	8.4
121.02816	2.5
121.06507	3.2
122.06031	2.5
123.04415	2.4
123.08073	4.1
130.02910	1.8
132.04416	1.9
133.02853	10.6
134.03685	1.2
134.05995	12.6
135.04413	7.5
136.04735	1.7
137.02357	11.0
143.03394	2.2
145.02870	9.5
146.03253	1.7
147.04442	1.3
150.05527	1.9
151.03940	1.8
158.02370	7.2
160.03943	8.3
161.02336	21.2
161.04451	3.1
162.02731	3.8
163.03935	6.7
163.11206	3.8
164.11560	1.1
175.03975	1.7
177.01834	19.1
178.02319	1.2
179.03426	11.1
179.04865	1.2
179.05492	1.5
180.03792	2.0
189.12766	12.4
190.05034	12.8
191.05527	1.4
192.06615	6.6
204.06537	1.7
207.13849	15.2
214.12433	1.8
227.08189	1.4
229.09811	4.9
237.10274	1.2
241.09685	6.9
242.10538	2.5
249.10184	1.1
251.12874	4.5
252.13060	1.2
257.12912	7.6
258.13467	1.4
268.08435	1.5
277.06262	1.5
277.09689	1.4
281.06766	1.2
281.09296	6.8
282.09897	1.2
283.10809	11.8
301.11957	2.1
305.09381	6.7
307.07986	1.8
307.11032	1.7
309.08774	2.4
309.12213	1.7
337.11755	8.1
339.13452	2.7
343.12988	4.6
373.13989	2.3
383.30704	1.2
403.15067	5.3
485.15466	3.1
487.17075	3.2
517.18146	7.4
519.19763	6.1
568.23077	1.8
571.19476	1.3
585.63593	1.2
621.32739	100.0
622.24103	1.9
622.33221	18.2
623.19885	1.6
649.32806	1.7
655.34363	1.4
720.25800	8.8
725.28375	2.5
726.26947	2.1
769.27277	29.2
770.27124	8.3
801.40765	50.8
802.41290	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	801.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51875	0.9
57.03325	4.0
58.00465	4.1
59.01253	66.8
61.91611	0.9
61.98705	29.4
70.38500	0.8
71.01257	57.7
71.30965	1.6
72.99201	5.1
73.02821	13.7
75.00730	1.0
78.95784	0.9
83.01268	10.0
84.02067	1.2
85.02825	27.0
87.00764	3.5
89.02323	19.8
89.28637	0.8
90.02627	0.8
95.01259	5.5
96.95889	1.5
97.02836	1.4
99.00773	4.6
101.02325	38.8
102.60484	1.0
108.04423	0.9
111.00778	1.5
112.01530	1.6
113.02336	21.9
113.18737	0.8
119.03400	7.7
119.04942	2.7
121.02861	1.2
122.05972	1.1
125.02346	2.1
131.03366	1.3
132.04440	0.9
133.02844	3.4
134.03676	1.2
134.05988	5.6
135.04414	5.0
137.02344	1.1
143.03412	1.8
145.02873	1.2
158.02399	2.7
159.02925	1.7
160.03960	2.9
161.02333	5.8
161.04428	5.0
163.03932	1.3
179.03406	4.9
180.03740	0.9
190.05032	4.4
192.06631	1.9
209.11760	1.1
221.06653	0.9
229.09747	1.6
240.83145	0.9
241.09842	3.4
257.12979	2.5
281.09430	1.9
283.10965	3.4
305.09381	1.3
307.11142	1.1
309.12451	1.2
337.12051	2.0
343.13077	1.1
403.15204	1.3
438.02060	1.0
459.29807	3.6
517.18359	1.8
519.19733	1.2
577.36285	2.3
621.34894	100.0
622.35327	15.9
720.25842	2.6
769.27148	11.3
770.27686	3.0
801.30920	3.9
801.41534	70.9
802.29443	1.5
802.42029	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.2
58.00472	3.9
58.81347	0.8
59.01250	60.0
61.98706	23.0
71.01253	54.3
72.99203	3.7
73.02810	11.0
75.00780	1.0
79.95626	1.7
80.96394	12.1
81.03316	1.1
83.01254	8.9
83.04949	1.4
85.02823	21.2
87.00765	2.2
89.02319	19.7
89.02831	1.2
94.97972	2.6
95.01277	5.6
97.02889	1.2
99.00740	5.1
101.02327	37.4
102.02628	1.0
113.02328	19.7
116.04963	1.2
119.03387	5.2
119.04947	1.7
125.02364	2.6
129.01881	1.1
131.84297	0.9
132.04451	1.4
133.02892	2.5
134.06033	6.8
135.04465	1.3
137.02383	1.5
143.03423	1.1
145.02904	2.2
148.99089	1.3
152.07036	1.6
158.02426	3.1
159.02954	1.3
160.04030	3.6
161.02364	4.5
161.04530	4.0
163.03983	1.7
164.98587	1.1
174.05527	1.0
179.03484	3.7
190.04974	6.4
191.68489	1.0
192.06683	3.9
209.11954	1.5
225.00842	4.0
225.06537	1.1
229.09918	3.8
241.09935	3.9
255.11394	1.1
257.13156	3.0
269.04633	1.1
273.72733	1.1
281.09470	3.4
283.10965	6.2
301.12143	1.4
305.09500	4.0
337.12119	3.2
339.13611	1.4
343.13068	2.0
397.45779	1.0
403.15411	2.8
459.29593	4.7
485.15836	1.4
487.17831	2.0
517.18567	1.5
519.20062	2.4
541.20782	1.0
568.23865	1.2
577.36450	2.8
621.34882	100.0
622.35162	14.7
720.26324	2.9
725.28864	1.3
751.27710	1.2
769.27350	17.1
770.27612	5.0
801.41779	73.0
802.42365	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	802.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29538	0.1
60.50432	0.1
61.98703	100.0
62.98405	0.2
80.96393	0.1
98.19846	0.2
130.90781	0.1
172.83832	0.1
205.92661	0.1
209.11809	0.1
293.21228	0.1
802.49487	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50348	0.2
61.98703	100.0
67.03622	0.3
67.92628	0.3
69.26426	1.3
69.26856	0.8
78.95790	0.7
79.95599	0.3
80.96403	0.5
82.95982	0.4
108.19917	0.2
111.83447	0.3
277.18924	0.3
311.22382	0.8
427.90137	0.3
434.95844	0.4
581.66937	0.3
646.54199	0.3
802.39972	0.6
803.46368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.6
59.01253	7.6
60.35640	0.7
61.98677	0.8
67.81598	0.6
71.01251	10.3
72.99175	1.1
73.02824	1.5
85.02821	9.4
87.00730	0.8
89.02324	4.3
92.81587	0.7
93.03327	1.3
95.01260	3.7
98.20553	1.8
99.00749	5.3
101.02317	2.3
107.04907	3.2
108.02066	1.8
109.02831	2.3
113.02332	22.2
117.03369	3.1
119.03375	1.0
119.04888	1.6
121.02836	1.5
123.04432	2.1
130.18509	0.7
131.03429	0.7
132.02081	1.8
133.02846	31.3
134.03696	5.9
135.04411	100.0
136.04758	4.9
137.02362	2.4
145.02864	4.0
149.04506	1.0
149.05969	0.8
151.03918	1.7
152.01062	2.6
153.01822	1.6
153.05493	1.5
153.28716	0.7
161.02348	77.4
162.02675	4.7
163.03883	4.2
167.03352	0.8
175.03937	1.6
179.03419	20.9
180.03841	1.6
191.05533	0.8
244.95102	0.7
297.07651	0.9
315.10916	1.8
318.06781	0.7
337.09302	0.8
345.15161	0.8
461.16547	4.2
465.92490	0.8
470.07721	0.8
515.74268	0.8
623.19586	14.8
624.19421	3.4
641.20807	43.1
642.21460	6.0
785.23389	3.1
803.23334	16.3
804.23962	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	803.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.7
59.01254	4.2
68.58350	0.4
71.01253	8.6
72.99166	0.5
73.02838	0.4
83.01268	0.6
85.02829	7.2
87.00755	0.7
89.02325	3.1
91.05422	0.6
91.29661	0.4
93.03343	0.6
95.01273	2.7
101.02340	1.6
105.03362	0.6
107.04911	2.7
108.02071	1.6
109.02844	1.8
113.02335	17.8
114.02660	0.6
114.48538	0.4
117.03350	1.4
119.03400	0.8
119.04903	0.6
123.04423	2.0
126.80824	0.4
131.03418	0.5
132.02058	1.6
133.02852	28.8
134.03685	6.2
135.04416	100.0
136.03795	0.7
136.04738	5.0
137.02321	1.3
137.05992	0.6
145.02766	0.6
149.05986	1.0
152.01091	1.7
153.01826	0.7
153.05481	1.0
161.02353	74.4
162.02708	4.3
163.03923	2.5
175.04019	0.4
177.29564	0.4
179.03419	18.9
180.03717	1.3
181.04993	0.7
182.83900	0.4
194.02057	0.4
297.07422	0.9
315.10840	1.7
357.75122	0.5
377.32901	0.4
435.09558	0.5
461.16672	5.3
462.16956	0.6
475.11859	0.5
491.31284	0.5
520.58429	0.4
597.14502	0.5
623.19830	15.5
624.20319	3.0
641.20819	45.4
642.21161	9.2
785.22931	3.6
786.22809	0.9
803.23883	21.7
804.24518	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	803.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	1.3
59.01249	19.3
61.98703	82.9
62.72468	1.2
71.00888	2.1
71.01254	17.8
72.99175	1.9
73.02814	3.9
75.00751	1.7
75.37505	1.2
78.91770	1.5
80.96386	3.0
83.01249	2.8
85.02825	8.0
87.00743	4.1
89.02319	7.5
89.84241	1.2
93.03349	5.4
95.01257	2.7
96.95889	2.6
98.20616	2.4
99.00747	3.8
101.02316	10.1
106.06516	4.1
107.03671	1.9
108.02058	3.0
108.04425	2.5
108.67889	1.2
109.02810	2.8
113.02327	8.6
116.92751	1.7
117.03320	4.2
119.03362	4.4
119.04932	2.3
121.02890	2.2
122.06027	10.7
123.00805	1.4
123.04408	6.6
132.04439	1.3
133.02847	9.2
134.03633	2.7
134.06009	22.5
135.04401	6.0
137.02342	17.1
145.02869	10.5
146.03348	1.2
146.06084	1.9
149.05876	1.3
152.01035	2.4
152.07091	3.7
153.01813	1.8
159.02957	1.4
160.01559	2.6
160.03951	1.6
161.02362	12.2
161.04506	2.2
162.05496	4.1
163.03894	5.2
167.03380	5.0
175.03889	1.9
176.06995	1.7
177.01848	7.2
179.03371	7.5
190.04997	2.3
193.04961	2.1
209.11691	2.1
213.10262	1.8
222.07524	2.5
223.08687	1.6
225.10283	6.2
227.11722	3.1
235.08749	6.7
237.10242	1.8
239.08379	1.5
239.11630	1.9
246.07628	1.6
249.09995	1.7
251.08217	4.3
253.09793	2.8
263.08234	2.2
264.08923	1.5
265.09906	2.6
267.11389	3.9
277.09802	3.3
278.10306	1.4
279.07721	6.5
279.11380	3.6
281.06677	4.4
285.12259	1.7
292.08481	3.2
293.09320	5.9
294.09845	1.7
295.10861	3.5
305.09363	7.4
307.11069	3.5
321.08826	4.5
327.13458	1.8
333.08713	4.4
340.14575	4.4
353.11337	1.6
356.13690	1.9
358.15692	3.2
384.13727	2.9
398.15414	2.7
412.16562	2.1
415.10452	4.8
420.20715	4.4
426.14435	3.0
442.17426	2.2
444.15170	1.4
468.15582	4.5
486.16373	3.0
487.16833	1.9
544.69141	1.8
620.22974	3.0
648.22131	10.1
649.22314	2.4
679.56738	1.6
680.24561	100.0
681.24829	25.6
715.09735	1.6
740.48322	2.3
753.27856	22.5
754.27899	5.8
785.30438	20.2
786.30322	4.3
803.32422	11.4
804.34137	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.0
59.00953	1.9
59.01252	32.7
61.98700	12.9
71.01253	17.6
71.06722	2.0
72.99166	2.1
73.02825	4.7
77.25064	0.9
80.04938	6.3
82.95278	1.1
83.01277	3.0
85.02812	5.8
89.02321	10.6
94.06495	2.5
95.01255	1.7
96.95887	5.9
101.02335	8.8
102.52296	1.1
104.04952	2.7
106.06492	5.8
107.03637	4.4
113.02369	5.6
115.37562	0.9
119.03404	3.3
119.04820	1.3
120.04441	2.2
120.08048	1.9
121.05246	2.0
122.06007	37.0
122.59644	0.9
123.04395	1.0
125.02328	1.4
132.04466	4.7
133.02875	2.0
134.06017	39.2
135.04454	2.2
135.06358	1.1
137.02376	2.0
139.00267	1.4
139.02650	2.9
145.02841	3.2
148.03987	2.0
150.05505	1.5
152.07082	45.7
153.01796	1.1
153.07462	1.4
158.02351	1.9
160.03999	6.4
160.06316	8.4
161.02383	3.2
161.04636	2.8
162.05666	1.5
171.10243	0.9
174.05505	5.8
175.03906	1.7
179.03427	4.0
190.04970	7.2
197.07068	1.4
198.07892	1.1
207.10335	1.2
209.11897	1.4
211.08630	1.9
213.10277	37.8
214.10616	3.1
219.58466	0.9
223.08658	1.7
225.10225	2.3
226.11014	2.9
227.11940	1.8
235.08698	1.1
237.10387	1.9
239.11868	18.8
240.12221	2.0
241.13458	18.2
242.13655	1.6
245.12926	3.6
249.06616	1.9
249.10370	1.2
251.11841	5.2
259.67993	0.9
261.10336	1.3
262.35825	1.0
263.11890	1.2
265.09781	3.2
265.13217	1.6
265.61349	0.9
267.11420	10.0
268.11710	1.1
277.09778	2.9
279.11453	2.0
285.12460	60.3
286.12830	4.3
293.09695	1.4
293.12915	7.0
295.10892	3.4
305.09445	2.3
307.11234	1.3
313.12073	2.1
314.12589	1.4
316.14499	8.9
317.14713	1.2
323.10428	4.4
324.11075	1.6
325.11957	2.7
326.01883	1.3
326.12662	1.5
327.13556	2.8
328.10944	5.2
328.14563	1.8
329.11670	1.1
330.12488	1.6
332.17438	1.4
337.11880	2.4
339.09906	1.2
340.14481	13.3
341.15207	2.2
342.12424	5.3
343.13251	5.8
344.13855	4.3
344.17984	1.7
355.12936	6.8
356.13947	5.5
356.17734	1.9
357.14847	4.0
358.15631	19.2
359.15781	3.3
359.46646	1.0
368.10440	3.7
368.14334	1.3
369.14859	2.1
370.11801	2.5
370.15759	3.4
371.16336	1.1
372.17130	1.9
382.15594	2.9
384.13150	10.7
384.17670	2.1
385.14005	2.1
396.13400	2.7
397.14157	4.3
398.14954	5.7
399.15756	3.5
400.16711	19.8
401.16940	4.2
410.15134	1.4
412.16690	14.4
413.16962	1.5
426.14328	2.4
444.15491	3.6
444.35315	1.0
457.16602	1.3
462.15756	1.1
481.22278	2.3
497.26062	1.3
505.22318	1.8
509.22180	1.4
517.18640	2.8
523.23505	5.9
524.24084	2.2
539.69019	1.1
547.23029	1.3
563.23181	1.5
565.24512	35.1
566.24670	6.5
568.23608	1.5
569.24445	1.5
581.24072	2.6
591.22522	21.1
592.22858	5.3
609.23553	69.6
610.23969	16.3
623.24707	3.7
633.49115	1.1
641.26147	70.3
642.26392	15.1
651.24182	1.7
659.30017	1.2
683.27283	15.9
684.27899	3.2
727.29797	6.2
728.30646	1.5
730.27319	1.4
743.29462	3.2
753.28497	1.5
769.68195	1.1
771.28796	100.0
772.29144	25.8
803.31104	16.4
804.32007	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	803.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.5
58.04439	0.2
59.00959	0.4
59.01250	6.2
61.98702	1.4
69.03318	0.6
69.17804	2.6
71.01251	4.4
71.04881	0.5
73.02813	0.7
75.47033	0.3
75.48499	0.2
78.95761	0.6
83.04879	0.7
85.02826	0.9
87.00755	1.3
89.02312	3.2
91.03895	0.3
95.01337	0.3
95.04913	1.0
97.06464	0.4
97.29059	0.3
98.20591	0.4
101.02319	4.4
107.04923	0.3
109.06454	0.4
111.08046	9.1
111.51688	0.2
112.08426	0.4
113.02343	2.1
113.09613	0.7
119.03379	0.9
122.65776	0.3
123.08009	0.3
131.03438	0.3
137.09615	0.9
141.09103	0.3
145.04999	0.3
149.09601	0.6
161.04483	1.6
167.10698	2.3
177.12787	1.7
179.05533	0.8
179.10713	1.9
179.14348	0.7
195.13847	13.1
196.14319	1.1
205.12268	0.9
205.15944	0.6
211.13417	0.5
223.13348	5.0
224.13713	0.4
225.14867	0.3
228.13669	0.7
235.08199	2.2
247.20692	2.1
253.09273	18.1
254.09549	0.9
256.13098	0.7
265.21582	0.5
273.18716	1.6
275.20157	5.3
291.19666	100.0
292.20016	9.6
293.21228	89.1
294.21561	8.3
391.44971	0.3
492.22116	0.7
509.27307	0.5
527.28546	5.8
528.29156	1.0
529.30255	1.6
567.40692	0.8
591.98053	0.3
734.42883	0.3
803.50226	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41996	0.2
61.98706	100.0
62.98407	0.2
78.95795	0.3
82.01513	0.1
98.19773	0.3
102.22823	0.1
132.89325	0.1
171.10251	0.2
198.12115	0.2
237.09010	0.1
247.54259	0.1
804.47882	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.7
61.98695	2.6
66.89287	0.7
71.01242	3.9
71.52290	1.1
72.99181	1.1
85.02821	2.2
89.02321	1.5
93.03355	1.9
95.01283	1.0
101.02338	1.3
108.02052	3.8
109.02840	5.6
113.02309	2.4
117.03357	1.1
119.04926	1.0
121.02844	2.1
123.00733	2.2
123.04390	1.9
125.02331	1.1
133.02834	3.6
134.03525	1.0
135.04385	4.8
136.01591	1.5
137.02338	28.3
138.02859	1.2
139.03899	1.9
145.02843	1.8
149.02386	1.8
150.03113	1.7
151.00279	13.0
151.03912	5.8
152.01085	4.9
152.04663	3.2
152.07074	0.9
153.01788	2.1
153.05540	1.5
159.04446	1.1
161.02351	7.6
162.02892	1.3
163.03923	2.7
164.01016	2.0
164.04730	1.1
165.01843	100.0
165.05429	4.9
166.02625	37.0
167.03389	4.8
175.03944	2.6
177.01860	3.2
177.05467	1.1
178.02559	0.8
179.03423	26.7
180.04205	63.1
181.04987	45.4
181.08496	1.0
182.05336	2.7
184.03629	1.6
187.03940	2.3
190.02753	1.3
190.06355	1.0
191.03484	1.1
192.04263	1.8
193.04996	2.7
194.05785	4.4
195.02887	3.2
195.06560	84.3
196.06938	4.3
205.05017	6.3
205.08868	0.9
206.05565	1.0
207.06511	2.0
209.08031	1.0
210.05269	15.0
211.05826	1.8
220.07362	5.5
221.08124	1.2
225.07634	65.6
226.08102	3.8
233.08224	0.9
235.09798	0.9
301.07184	0.8
314.04837	0.8
315.07214	2.0
329.06937	0.9
345.09583	1.5
354.11182	1.1
359.11307	1.9
371.11203	1.4
372.12039	1.2
386.13675	1.5
387.10223	6.2
387.15201	6.7
388.10977	1.0
402.13303	4.2
403.13831	2.0
416.14771	3.3
417.15546	55.8
418.15781	6.4
479.21524	1.2
491.96365	0.8
565.18121	2.6
580.19519	1.0
595.21893	53.1
596.22272	10.0
613.23059	1.6
643.23840	24.6
644.24280	5.6
805.25348	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	805.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.4
59.01252	26.8
60.74294	0.8
61.27297	0.9
61.98695	1.7
69.16010	2.3
69.16410	8.8
71.01255	31.3
72.99181	7.0
73.02821	13.7
75.00745	2.3
83.01260	3.0
85.02830	12.7
87.00764	3.9
88.98699	1.1
89.02321	29.6
92.67091	1.1
93.03337	3.9
95.01260	5.0
97.02809	1.5
98.20541	2.3
99.00760	44.6
101.02341	14.5
106.04058	1.3
107.04934	1.2
108.02042	2.3
109.02835	2.0
111.00751	2.0
111.04366	1.5
113.02335	25.5
117.03402	1.2
119.03389	4.3
119.04920	48.7
120.05212	1.3
120.20583	1.1
121.02848	100.0
121.06476	8.8
121.10110	6.5
122.03192	1.4
123.00733	1.3
123.04405	2.7
125.02321	2.1
131.03413	4.9
133.02882	1.0
135.04419	6.1
137.02342	7.2
137.05989	4.5
139.03879	1.3
143.03387	2.4
145.02847	2.9
149.04474	14.3
150.03108	2.2
151.00247	1.8
151.03871	1.3
152.01033	2.1
153.01834	1.3
161.02318	2.9
161.04446	8.9
163.03941	8.3
164.04256	0.9
165.01865	15.8
165.05486	11.0
165.09178	7.5
166.02643	4.9
167.03300	1.2
168.00636	1.3
175.03810	1.0
177.01822	2.7
179.03432	7.1
179.05507	3.2
180.04202	8.1
181.05002	9.3
183.02943	3.2
183.06543	4.5
183.07938	1.1
191.05563	11.7
193.04965	1.0
195.06555	10.3
207.10173	2.7
210.05258	1.0
220.07298	1.4
225.07669	8.8
233.06648	3.4
237.11363	3.6
287.10092	1.0
293.08707	3.1
297.13406	3.1
300.15155	0.9
303.18036	1.8
315.10788	3.3
327.14682	1.2
345.15649	2.3
381.15707	1.2
385.57535	1.1
417.15585	7.1
459.18863	14.2
460.19266	1.7
461.20544	9.8
462.21204	1.2
477.19785	44.3
478.20175	5.7
479.21393	12.2
519.20819	2.0
579.44025	1.1
595.21979	7.8
596.22223	1.3
621.23334	1.6
623.25360	1.3
643.24078	3.9
805.31329	56.7
806.31989	9.9
822.10992	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44351	0.8
57.03318	1.9
58.00468	1.6
59.01248	42.3
61.98698	10.2
69.03301	1.2
71.01249	35.9
72.99179	4.1
73.02818	22.9
75.00755	1.1
83.01265	2.9
85.02824	16.7
87.00760	1.6
88.52727	0.9
89.01757	1.7
89.02316	33.3
93.03320	1.8
95.01265	5.6
96.95879	1.5
97.02848	0.9
98.20654	1.9
99.00756	75.7
100.01089	1.3
101.02326	18.8
111.00768	1.1
112.62876	0.9
113.02328	30.9
114.77493	0.8
117.03262	1.3
119.03398	5.4
119.04889	2.1
121.10134	5.8
123.04356	1.0
125.02370	1.1
131.03404	3.8
132.02071	1.3
133.02846	2.3
134.03619	4.7
135.04477	1.5
137.02313	1.4
139.00183	1.0
141.01793	1.5
145.02881	2.1
149.04463	5.0
152.01067	1.3
160.01573	8.4
161.02394	4.8
161.04474	4.2
163.03943	2.0
165.09129	7.7
167.03372	1.1
174.03148	1.8
175.03915	9.2
176.04359	1.0
179.05510	1.2
183.10196	2.3
189.01897	1.9
191.03873	0.9
191.05530	6.6
193.04948	4.9
207.10362	1.1
209.07176	1.0
222.49008	1.0
261.83960	0.9
285.03973	2.1
327.14285	1.3
345.15515	18.1
346.15991	1.4
421.29483	0.9
459.18674	1.2
477.19864	3.6
493.24353	3.6
611.30042	1.5
673.30945	1.1
805.35150	100.0
806.35577	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.7
58.00478	1.4
59.01255	18.1
61.98713	4.3
66.56046	0.4
69.03342	1.6
70.84369	0.8
71.01259	16.5
72.99197	1.8
73.02827	2.5
73.03189	0.4
75.00764	0.9
78.95785	1.4
80.02572	1.3
80.91532	0.4
81.03338	2.1
83.01257	1.3
83.02402	0.4
83.04893	6.1
84.02045	1.0
85.02823	4.6
87.00764	3.8
88.85744	0.4
89.02322	12.9
93.03358	0.4
95.01302	1.3
95.04916	1.3
96.95898	6.9
97.02843	2.8
97.06467	0.6
99.00784	1.6
101.02334	11.7
109.02833	0.5
111.00797	0.6
113.02341	6.6
115.03875	0.5
116.92725	2.4
119.03384	3.7
119.04917	0.8
123.04456	0.5
125.02350	4.7
125.05999	0.7
131.03406	1.0
133.02917	0.9
133.04997	0.6
135.04419	1.8
135.08058	0.6
137.02365	1.1
141.01833	0.4
143.03423	1.8
145.02841	0.7
147.11797	0.5
151.03989	0.5
152.99600	0.5
153.09111	0.6
153.12781	1.4
161.02391	2.8
161.04475	3.9
163.03961	1.2
163.11237	4.1
165.01793	0.7
165.12848	2.0
169.12259	4.7
171.10164	1.3
177.01852	0.7
178.02658	0.6
179.03419	1.3
179.05534	3.5
179.10695	1.0
181.12218	0.4
189.01895	1.2
191.10754	1.2
197.11784	72.2
198.12125	3.4
199.05930	0.5
199.13335	1.1
201.11299	3.2
207.10233	0.5
209.11786	100.0
210.12125	5.5
221.06596	1.4
223.13408	1.5
227.12869	15.0
228.13219	1.0
235.08174	4.0
253.09245	1.5
253.62529	0.4
269.87967	0.4
287.07758	1.1
295.87076	0.5
305.08652	1.6
323.09885	0.7
379.12442	5.3
389.23340	0.8
397.13541	33.0
398.13898	2.4
415.14633	8.5
416.14630	0.6
459.55646	0.5
503.49265	0.4
530.59692	0.6
558.54016	0.5
577.24646	1.5
589.25171	0.9
595.26086	1.9
607.26489	2.1
708.18567	0.7
769.37054	1.1
787.37805	0.5
805.38281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	7.9
61.98704	44.2
64.91599	3.3
64.98601	3.2
65.47858	4.1
70.03512	3.2
70.81210	5.7
70.81531	6.1
71.01264	7.9
78.95760	4.0
85.02839	5.4
89.02318	4.2
91.57186	3.1
101.02342	6.2
109.06465	3.6
113.02334	5.8
167.10713	4.2
171.10176	13.7
190.43680	3.7
205.12308	6.8
209.11874	8.9
211.13306	10.8
223.13341	94.6
224.13760	6.5
225.16588	3.6
235.08154	31.7
236.08508	4.2
253.09256	31.3
309.20703	11.8
327.21793	100.0
328.22171	7.8
346.89404	4.0
439.32339	5.5
459.22357	39.2
533.34644	4.2
545.29626	18.7
563.30554	16.3
769.43903	38.9
770.44025	9.6
805.41614	47.0
806.41034	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	805.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	0.3
59.01248	2.8
61.98481	0.2
61.98707	2.4
69.03292	0.3
70.81074	0.8
71.01247	2.7
73.02799	0.3
78.95783	0.5
83.01270	0.3
85.02818	0.6
87.00735	0.8
89.02309	1.7
101.02332	2.8
111.08014	0.4
113.02348	1.3
113.09556	0.3
113.66206	0.3
119.03387	0.7
129.06567	0.2
143.03436	0.3
143.89349	0.3
152.99443	0.4
158.34680	0.3
161.04468	1.1
167.10733	0.3
171.10112	0.6
177.12712	0.4
179.05589	0.4
179.10664	0.3
179.14346	0.5
183.13747	0.3
195.12039	0.6
195.13832	11.3
196.14288	0.8
205.12212	1.0
205.15892	0.3
211.13295	0.5
212.84944	0.3
223.11353	0.5
223.13359	5.5
224.13841	0.6
228.13681	0.5
231.21086	0.7
235.08250	1.4
235.17068	0.4
253.09253	13.6
254.09543	0.4
256.13062	0.7
265.21680	0.4
275.20132	9.6
276.20392	0.7
293.21210	100.0
294.21539	9.3
299.50641	0.3
328.34140	0.2
346.54578	0.3
516.94403	0.3
529.30096	1.0
530.30975	0.3
569.42200	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00828	0.2
59.01250	2.3
66.77425	0.2
70.15321	0.2
70.15668	1.0
71.01249	2.3
73.02798	0.4
83.01237	0.4
83.74574	0.2
85.02802	0.7
87.00726	0.4
89.02312	1.8
101.02316	2.1
113.02312	1.2
113.09604	0.4
119.03403	0.4
133.32657	0.2
161.04474	1.5
167.10727	0.3
179.05490	0.4
179.14331	0.6
195.13838	7.9
196.14468	0.7
205.12303	0.5
205.15878	0.4
211.13312	0.4
223.13327	6.0
224.13698	0.7
228.13649	0.5
235.08217	0.8
248.30592	0.2
249.22037	0.3
253.09253	16.2
254.09544	0.5
256.13193	1.2
265.21597	0.4
275.20117	5.3
276.20526	0.6
292.19870	0.3
293.21204	100.0
294.21558	9.2
294.24142	0.1
350.49796	0.3
425.66556	0.2
455.32855	0.2
492.21722	0.5
529.29919	1.1
530.30176	0.3
569.42029	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.7
58.00471	1.5
59.00959	1.8
59.01251	35.3
61.98707	6.9
61.99892	0.9
65.51565	0.9
66.99252	0.8
68.51951	0.8
69.03306	1.2
71.01257	36.7
72.99182	10.3
73.02816	12.9
74.43012	0.9
75.00748	1.7
83.01256	5.8
83.48325	0.9
85.02825	18.4
85.99979	1.0
87.00738	3.4
88.98672	2.1
89.02318	19.3
93.03359	1.4
95.01261	3.8
96.95924	1.0
97.02828	3.7
99.00758	7.4
99.04347	1.3
101.02320	29.1
111.00735	2.0
112.01537	2.5
112.68667	0.8
113.02336	16.9
115.00224	2.0
117.03323	1.4
119.03374	5.2
119.04923	0.9
121.02789	1.1
121.10123	1.6
123.04456	1.1
123.78956	0.8
125.02312	1.1
126.37609	0.9
129.01842	0.9
131.03409	1.3
133.01324	4.7
133.02823	2.9
135.04405	3.0
137.02342	3.4
138.01770	1.1
143.03381	1.4
145.02820	2.5
147.04251	1.0
151.03865	1.2
160.01637	1.2
161.02362	5.7
161.04430	3.1
165.09146	4.9
177.01807	1.4
179.03400	3.2
183.10133	1.4
185.11732	1.9
207.13744	1.2
209.11748	3.3
269.13910	4.1
296.31332	1.0
303.18060	2.6
329.16043	2.1
345.15570	14.6
346.16025	1.5
347.16980	5.9
375.20203	5.0
431.19119	3.0
461.20334	3.3
479.21274	6.8
480.21457	1.1
645.38165	1.3
780.42157	1.0
807.36572	100.0
808.36981	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	807.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.1
58.00464	0.4
58.47076	0.3
59.01248	7.7
61.98696	1.1
69.03333	0.4
69.51552	0.3
70.99722	0.4
71.00064	0.5
71.01248	7.4
72.99168	0.7
73.02816	1.2
75.00729	0.4
78.95767	0.6
80.96380	0.7
83.01250	0.9
83.04916	0.6
85.02821	1.4
87.00732	2.1
89.02314	6.1
95.01234	0.9
97.02811	1.0
99.00766	0.5
101.02321	5.8
111.08039	0.3
111.91254	0.3
113.02313	3.4
113.09608	1.3
116.92747	0.7
119.03386	1.2
125.02361	2.3
125.09589	0.4
127.11173	0.7
133.19899	0.3
143.03381	0.9
155.19762	0.3
161.04456	2.5
171.10176	25.3
172.10503	0.8
177.12698	0.5
179.05544	1.5
179.14325	1.0
181.12216	0.6
187.36946	0.3
195.13831	19.0
196.14333	1.4
205.12248	0.5
211.13179	0.6
223.13339	4.4
224.13797	0.5
228.13718	0.5
231.21144	0.6
235.08145	2.6
238.17712	0.3
253.09261	23.9
254.09621	1.0
255.23244	17.0
256.13116	0.8
256.23624	1.1
275.20132	4.1
276.20569	0.5
277.21713	11.1
278.22028	0.6
287.07724	0.7
293.21228	64.6
294.21536	4.9
295.22772	100.0
296.23111	8.1
305.08630	0.5
379.12592	2.8
397.13501	8.2
398.13690	0.7
415.14536	1.9
529.29974	0.8
531.31653	1.0
571.43628	3.0
572.44171	0.5
807.43018	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.2
58.00479	1.2
59.01252	19.7
69.39239	1.9
69.46290	0.3
71.01254	21.7
72.99178	1.8
73.02819	4.7
77.90507	0.3
78.52943	0.2
83.01256	3.2
85.02824	9.1
85.99979	0.4
87.00740	1.0
89.02319	9.5
95.01263	1.5
97.02826	0.3
99.00766	2.9
99.04399	0.3
101.02323	14.1
107.71281	0.2
111.00761	0.4
113.02334	8.1
119.03386	2.9
120.04961	0.2
121.10114	1.2
127.27389	0.2
131.03430	0.4
133.02853	0.3
143.03375	0.3
149.04445	0.6
159.02844	0.3
161.02368	0.5
161.04485	1.9
165.09099	0.3
167.24850	0.2
179.03435	0.4
183.10208	1.9
191.05609	0.4
280.79916	0.3
301.16541	0.4
304.54752	0.3
323.93500	0.3
332.21899	0.3
345.15530	100.0
346.15826	7.9
463.21783	1.7
645.69244	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.3
58.79296	0.9
59.01251	26.7
61.98701	4.6
69.03318	2.6
70.81160	2.4
71.01254	8.4
71.04855	1.1
73.02836	1.2
83.01276	1.4
83.04894	2.0
85.02835	2.4
87.00743	1.0
89.02329	3.6
96.28974	0.9
97.06487	4.4
101.02328	4.7
105.36675	0.9
111.08019	2.5
113.02328	2.6
119.03393	1.1
125.02433	1.3
125.09605	1.6
135.04369	1.5
151.11174	3.7
152.99545	1.1
153.09128	1.3
155.10724	1.7
161.04477	3.3
165.12775	6.0
167.10667	3.2
171.10236	2.2
177.12772	1.4
179.05545	1.6
179.10692	4.5
179.14349	2.6
181.12315	4.9
191.10751	3.0
191.14320	1.9
195.13817	12.6
196.14139	1.3
205.12315	11.1
209.11754	18.0
210.12067	1.4
211.13332	3.4
223.13350	100.0
224.13689	7.5
227.12758	5.3
235.08139	3.7
237.14833	1.4
245.19087	4.5
253.09323	9.5
263.20145	7.7
289.18115	11.9
290.18265	1.6
293.21335	1.0
307.19147	38.1
307.22650	2.3
308.19504	3.3
398.13522	1.0
399.24274	1.1
445.20734	5.6
459.22342	9.9
495.31223	1.3
525.27026	2.1
543.28125	6.6
595.31018	1.5
651.34045	1.8
749.41119	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	809.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.5
59.01254	22.9
61.90296	0.5
61.98679	1.1
69.03336	3.2
70.42827	1.2
70.43216	0.8
71.01257	5.4
71.04888	1.5
73.02818	1.4
81.03317	1.4
83.01262	1.4
83.04900	1.4
85.02848	2.2
85.06470	0.7
87.00754	1.5
89.02332	3.3
95.01247	0.8
95.04907	1.6
96.99792	0.4
97.02826	1.2
97.06474	2.7
101.02322	5.3
109.06535	1.1
113.02354	1.6
119.03390	0.8
123.04412	1.4
123.08069	0.7
125.09651	3.9
125.98343	0.5
135.08066	0.8
135.11661	1.0
137.09608	2.1
141.12787	0.8
145.04988	1.0
149.09595	0.8
159.02979	0.6
161.04440	1.8
163.11201	3.8
165.12686	0.7
167.10651	3.9
173.09621	0.5
177.12801	0.9
179.05623	0.7
179.10687	1.7
179.14305	3.8
183.16855	0.5
185.11798	4.4
191.10620	0.7
191.14359	3.4
195.13860	11.1
196.14101	0.9
205.12302	12.9
206.12654	0.8
207.10220	2.0
209.11789	10.6
211.13214	0.6
217.15923	0.7
223.13356	100.0
224.13673	4.5
225.11310	1.1
235.08249	4.7
237.11276	1.7
245.15456	0.5
245.19072	8.2
246.19287	0.5
247.13191	0.5
253.09315	11.3
263.20215	2.3
271.16965	1.3
289.18106	36.8
290.18356	3.0
307.19162	35.1
308.19440	3.0
397.23792	1.7
415.24780	0.9
433.26022	0.5
459.22369	9.4
471.34619	0.7
495.31348	1.5
513.32208	2.2
525.26709	1.2
531.33112	0.8
543.28186	1.0
633.32758	7.2
634.33282	1.1
651.33801	1.8
713.38837	1.2
731.40088	1.4
749.41278	2.9
750.41406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51469	0.2
61.98703	0.7
67.48411	0.3
67.76953	0.2
69.57058	1.3
72.99181	2.7
75.00748	100.0
76.01085	1.0
86.25591	0.3
144.65251	0.3
152.99586	0.2
153.13766	0.3
164.07222	0.2
204.74442	0.3
208.35501	0.2
223.13268	1.9
236.86977	0.3
253.09436	0.3
293.21271	1.4
418.72430	0.3
561.87598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	10.1
61.98704	38.8
62.39301	1.2
64.43447	1.1
69.03323	2.9
71.01245	6.0
72.99181	3.4
85.02846	2.0
87.00850	1.3
89.02336	4.7
93.03343	1.2
99.00787	1.7
101.02363	2.8
109.06484	2.2
112.48129	1.2
113.02361	1.4
119.03354	1.7
121.10137	2.0
125.09621	3.9
161.02373	1.6
161.04451	2.3
167.10738	3.3
171.10158	2.5
173.45688	1.2
177.12874	1.8
177.69203	1.1
179.10751	2.3
179.14359	3.6
185.11769	4.7
195.13855	10.5
197.11819	1.7
205.12292	9.6
207.10237	6.3
209.11763	4.1
211.13361	41.1
212.13785	2.7
223.13365	100.0
223.96954	1.2
224.13693	7.8
225.11296	5.1
235.08235	4.3
249.14799	1.4
253.09363	11.1
266.07098	1.5
284.75314	1.3
289.17957	3.1
291.19678	39.5
292.20035	3.2
293.21103	2.0
307.19196	2.7
309.20831	2.8
357.64401	1.2
441.20923	2.0
447.22534	1.6
459.22433	20.4
460.23044	1.8
527.28735	3.6
653.35492	3.3
685.09595	1.3
733.41089	3.2
734.42529	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.3
58.00451	0.8
59.01255	13.8
61.98711	11.2
68.95493	0.9
69.03324	2.8
70.72319	2.0
71.01250	8.5
72.99197	1.3
73.02812	1.3
78.93429	0.8
80.02540	1.1
81.03342	1.5
82.15137	0.9
83.01252	1.2
85.02817	1.7
87.00748	1.8
89.02311	5.0
89.92331	0.9
95.04926	0.8
97.02834	4.9
97.06507	1.0
101.02348	7.7
109.06483	5.7
111.08065	6.0
113.02328	2.5
119.03371	2.3
125.09621	1.2
135.04390	1.3
137.09628	1.5
137.46463	0.9
145.02838	1.4
161.02367	1.2
161.04477	3.7
161.05920	0.9
163.11195	4.2
165.12741	1.4
167.10664	4.7
169.12273	1.7
171.10149	3.5
177.12688	1.0
179.05531	1.1
179.10690	2.8
179.14317	2.6
181.12274	1.7
183.13786	0.9
185.11662	1.6
191.14229	0.9
195.13826	9.5
197.11774	25.6
199.13318	2.4
205.12291	10.2
207.10219	10.5
209.11803	4.3
211.13358	5.0
223.13358	100.0
224.13713	6.5
225.11261	4.5
227.12834	2.0
235.08228	5.4
245.19160	1.8
253.09294	18.9
263.20184	2.0
273.18561	1.2
289.18060	5.4
291.19669	23.7
292.20016	2.7
293.21075	1.3
307.19141	6.7
309.20706	68.1
310.21094	6.3
375.68668	0.9
459.22366	11.1
460.22601	1.2
461.20120	1.3
502.08081	0.9
515.33331	0.9
527.28967	2.1
545.29565	4.6
587.37201	1.1
715.38098	1.0
733.38434	3.0
751.40802	6.9
752.40991	2.0
779.59863	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4489
Annotation	Rivaloside D
Peak:m/z	Relative Intensity
57.03313	0.3
58.00477	0.6
59.01252	8.1
61.98698	0.5
65.27158	0.1
71.00935	0.2
71.01250	6.3
71.04884	0.9
72.99178	0.6
73.02820	0.9
73.69952	0.1
83.01267	1.2
85.02823	2.2
87.00758	0.8
88.98676	0.3
89.02321	4.4
93.81844	0.1
95.01253	0.8
97.02879	0.2
99.00753	0.4
101.02327	11.1
102.02654	0.1
113.02338	6.9
114.02619	0.2
119.03391	7.7
120.03754	0.2
124.01567	0.1
125.02379	0.2
131.03410	0.8
133.02861	0.2
135.04419	0.3
137.02396	0.1
143.03397	1.0
151.03877	0.1
159.02917	0.2
161.02483	0.7
161.04466	5.6
162.04811	0.2
177.01839	0.2
177.47626	0.1
179.03442	0.6
179.05544	1.1
221.06592	2.1
263.07663	0.2
291.29449	0.1
303.06741	0.1
311.18683	0.1
323.09930	0.6
371.29868	0.1
377.28290	0.1
391.30157	0.2
405.31708	0.3
407.33362	1.1
415.28552	0.2
423.32648	0.5
425.34409	0.9
426.34882	0.3
427.32190	2.7
428.32404	0.3
437.30783	0.2
439.32181	0.3
443.35214	0.7
451.32297	0.1
457.33267	0.1
467.31287	0.2
469.33218	11.2
470.33618	1.6
483.34891	0.2
487.34277	100.0
488.34628	17.0
501.36002	0.9
502.35858	0.2
513.32159	0.6
529.35339	3.7
530.28345	0.1
530.35577	0.8
559.36383	0.6
571.36383	0.4
589.37579	0.4
649.39417	1.4
650.40228	0.4
691.40497	1.2
692.40967	0.4
733.41656	0.2
811.45050	1.9
812.45337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.3
58.00471	1.2
59.01250	8.7
61.98690	0.7
71.01251	6.2
71.04898	1.2
72.01591	0.2
72.99187	0.5
73.02824	0.8
83.01256	0.8
85.02824	1.8
87.00731	0.8
89.02319	4.6
89.36630	0.2
93.13146	0.1
95.01238	0.9
97.02831	0.2
99.00758	0.3
100.90846	0.2
101.02316	10.3
102.02692	0.2
113.01520	0.3
113.02324	6.6
119.03389	7.6
119.04804	0.3
125.02317	0.2
131.03372	0.7
133.02898	0.2
135.04399	0.4
143.03433	1.1
145.02856	0.4
147.02859	0.3
159.02875	0.3
161.02296	0.4
161.04457	5.1
162.04803	0.2
177.01855	0.4
179.03426	0.6
179.05479	0.8
206.18188	0.1
221.06602	1.9
263.07825	0.4
293.85608	0.2
308.46619	0.2
323.09967	0.5
324.62189	0.1
337.09204	0.3
369.27988	0.2
377.28366	0.4
391.30237	0.2
405.31818	0.2
421.31152	0.4
423.32574	0.4
427.32196	3.0
428.32370	0.5
437.30524	0.6
443.35202	0.7
448.15421	0.2
451.32147	0.2
457.32895	0.2
467.31564	1.8
468.31848	0.3
469.33224	10.1
470.33505	1.7
483.34799	0.2
487.34271	100.0
488.34622	17.0
501.35614	0.8
502.36035	0.2
529.35345	3.2
530.35608	0.9
559.36609	0.7
571.36450	0.4
589.37006	0.3
649.39685	0.3
691.40631	0.8
692.40668	0.2
705.06250	0.2
733.41852	0.3
811.45020	1.9
812.44720	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.449
Annotation	Rivaloside D
Peak:m/z	Relative Intensity
57.03319	0.4
58.00470	1.7
59.01250	8.7
59.65741	0.2
60.99171	0.6
61.98700	4.4
71.01254	8.9
71.04911	0.2
71.52446	0.2
72.99177	0.9
73.02827	1.5
75.00739	0.5
78.19274	0.2
83.01260	0.9
85.02819	4.0
85.99966	0.2
87.00732	1.2
89.02317	6.5
93.03362	0.2
95.01245	1.6
97.06514	0.3
99.00758	0.6
101.02321	12.4
102.02680	0.3
104.03409	0.2
113.02329	11.2
114.02670	0.4
119.03387	8.5
121.02779	0.3
123.04390	0.2
129.10619	0.2
131.03416	0.9
133.02863	1.7
133.79369	0.2
134.03654	0.5
135.04410	5.7
135.08122	0.2
137.02353	0.9
143.03416	1.5
145.02818	0.7
149.02350	0.3
161.01060	0.4
161.02379	4.7
161.04457	8.6
162.04836	0.2
163.03923	0.5
175.03886	0.3
177.01865	0.2
178.02733	0.2
179.03415	8.9
179.05504	1.8
189.05428	0.2
193.04926	0.2
203.03436	0.3
204.66814	0.2
209.11826	0.2
221.06624	2.7
233.04582	0.3
251.05661	0.5
263.07684	0.4
323.07556	0.4
375.26849	0.3
377.28448	1.4
391.25931	0.3
391.30316	0.4
393.27899	0.2
393.31784	2.3
394.32098	0.4
403.29959	0.6
405.31796	0.9
406.32260	0.2
407.33578	0.4
408.33710	0.2
409.31165	0.4
419.29965	0.2
423.32742	8.2
424.33078	1.2
425.26428	0.3
425.34308	1.8
426.34598	0.3
437.30618	0.7
439.32224	1.7
441.33752	3.6
442.34097	0.7
457.33224	2.0
458.33722	0.3
465.33762	0.2
467.31674	3.0
468.31964	0.5
469.33212	4.5
470.33640	0.7
475.34351	0.2
483.35040	0.4
487.15292	2.5
487.34274	100.0
488.34637	19.1
501.36197	1.7
513.32306	0.7
529.35309	6.8
530.35651	1.2
559.36401	1.3
560.37061	0.3
571.36157	0.3
589.37421	0.3
649.39661	0.3
651.18951	0.5
652.20038	3.1
691.40833	0.7
692.41187	0.3
749.26599	0.5
811.44507	0.6
812.25446	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.5
59.01253	3.3
61.98703	30.2
63.03588	0.4
63.39952	0.4
69.26177	3.3
69.26585	1.2
71.01254	5.1
73.02066	0.5
73.02817	0.7
83.01260	0.6
83.98023	0.5
85.02836	4.5
87.00761	0.6
89.02311	1.4
90.60905	0.4
93.03295	0.6
95.01270	1.8
96.95924	0.7
98.20496	1.1
99.00767	0.9
101.02339	1.6
101.23178	0.4
107.04889	0.7
108.02040	1.4
109.02839	1.2
113.02332	7.4
115.00234	0.5
117.03344	1.0
119.04922	0.7
121.02841	2.6
121.53523	0.5
123.04465	0.9
132.02055	1.2
133.02859	16.1
134.03664	5.6
135.04419	56.3
136.04793	2.4
137.02327	3.4
139.03926	1.0
145.02840	1.3
149.02353	3.5
149.05894	0.5
150.03104	1.9
151.03914	0.7
151.31348	0.5
152.01038	0.7
153.01779	0.8
160.01624	1.1
161.02354	44.2
162.02663	2.6
164.00841	0.5
165.05490	0.4
175.03954	1.2
177.01855	0.8
178.02606	3.1
179.03423	100.0
180.03795	4.4
193.05051	2.0
203.03442	1.9
217.05135	0.5
221.04510	0.5
221.22108	0.5
233.04434	0.6
233.08092	0.5
245.04602	0.6
251.05638	0.7
306.07526	0.8
312.34543	0.5
325.09375	0.9
487.14532	16.8
488.15161	1.8
651.19263	3.5
652.20068	33.6
653.20441	6.1
732.26093	0.6
749.26385	4.4
750.26514	1.2
813.33807	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.5
59.01253	3.3
61.98703	30.2
63.03588	0.4
63.39952	0.4
69.26177	3.3
69.26585	1.2
71.01254	5.1
73.02066	0.5
73.02817	0.7
83.01260	0.6
83.98023	0.5
85.02836	4.5
87.00761	0.6
89.02311	1.4
90.60905	0.4
93.03295	0.6
95.01270	1.8
96.95924	0.7
98.20496	1.1
99.00767	0.9
101.02339	1.6
101.23178	0.4
107.04889	0.7
108.02040	1.4
109.02839	1.2
113.02332	7.4
115.00234	0.5
117.03344	1.0
119.04922	0.7
121.02841	2.6
121.53523	0.5
123.04465	0.9
132.02055	1.2
133.02859	16.1
134.03664	5.6
135.04419	56.3
136.04793	2.4
137.02327	3.4
139.03926	1.0
145.02840	1.3
149.02353	3.5
149.05894	0.5
150.03104	1.9
151.03914	0.7
151.31348	0.5
152.01038	0.7
153.01779	0.8
160.01624	1.1
161.02354	44.2
162.02663	2.6
164.00841	0.5
165.05490	0.4
175.03954	1.2
177.01855	0.8
178.02606	3.1
179.03423	100.0
180.03795	4.4
193.05051	2.0
203.03442	1.9
217.05135	0.5
221.04510	0.5
221.22108	0.5
233.04434	0.6
233.08092	0.5
245.04602	0.6
251.05638	0.7
306.07526	0.8
312.34543	0.5
325.09375	0.9
487.14532	16.8
488.15161	1.8
651.19263	3.5
652.20068	33.6
653.20441	6.1
732.26093	0.6
749.26385	4.4
750.26514	1.2
813.33807	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56183	0.1
59.01262	0.2
61.98700	100.0
68.58083	0.1
70.67416	0.1
73.22302	0.1
78.53501	0.1
90.40073	0.1
109.51950	0.1
179.12691	0.1
184.22337	0.2
192.40108	0.1
209.11800	0.2
223.13321	0.2
277.21854	0.2
306.40213	0.1
341.10889	0.2
424.34094	0.2
471.34479	0.2
598.52002	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.3
61.98701	100.0
62.98415	0.1
66.12499	0.1
71.01273	0.2
75.00732	0.2
79.59574	0.1
86.02747	0.1
92.90054	0.1
93.03361	0.2
98.20665	0.2
101.02357	0.1
106.45125	0.1
127.33641	0.1
135.04483	0.1
137.02371	0.3
161.04526	0.1
166.57930	0.1
207.10268	0.3
208.10667	0.1
253.09215	0.1
289.18280	0.2
295.62335	0.1
371.00012	0.1
608.10669	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.2
61.98700	100.0
62.98397	0.1
68.90512	0.1
71.00356	0.2
71.01269	0.1
76.68891	0.1
78.98461	0.1
79.95586	0.1
80.96379	0.6
86.92596	0.1
89.02295	0.1
94.97959	0.2
100.89408	0.1
109.06487	0.1
133.02829	0.1
135.04396	0.1
137.41612	0.1
152.98531	0.1
161.02325	0.1
164.98451	0.1
176.03038	0.1
179.03491	0.1
209.11833	0.1
223.13309	0.1
225.00745	0.2
293.21210	0.1
419.39786	0.1
450.82074	0.1
516.68695	0.1
636.24158	0.1
797.68018	0.1
815.38922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.2
61.98703	100.0
62.98420	0.2
62.99113	0.2
63.99126	0.3
71.51856	0.2
78.95790	0.4
80.54967	0.2
80.83144	0.1
96.30491	0.1
108.50859	0.2
120.91094	0.1
135.04414	0.2
152.99522	0.2
161.02321	0.2
179.03436	0.2
207.10284	0.2
213.66508	0.1
277.21841	0.2
761.97711	0.2
797.41211	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.1
61.98703	100.0
62.11468	0.1
62.98392	0.1
62.99117	0.1
71.01276	0.1
72.47760	0.1
75.00760	0.2
79.95599	0.1
80.96390	0.6
94.97992	0.2
97.02843	0.1
101.02340	0.1
135.04422	0.1
159.72212	0.1
164.98589	0.1
173.02010	0.1
179.03461	0.1
185.11809	0.1
209.12004	0.1
225.00758	0.2
288.28485	0.1
291.19565	0.1
327.07999	0.1
379.02945	0.1
407.33371	0.1
814.49609	0.2
815.38739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	0.1
60.69845	0.1
61.98704	100.0
62.98401	0.2
62.99121	0.1
69.02740	0.1
71.01279	0.1
75.00752	0.8
76.01095	0.1
98.19785	0.2
127.81047	0.1
207.10216	0.1
223.13391	0.2
224.13603	0.1
229.64122	0.1
381.64713	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.2
61.98705	100.0
62.98418	0.1
68.65882	0.1
69.34718	0.1
71.01258	0.3
71.22475	0.1
73.02817	0.1
75.00754	0.3
78.95805	0.1
78.98475	0.1
79.95627	0.2
80.96391	1.6
87.00776	0.1
88.98704	0.1
94.97977	0.4
95.75356	0.1
96.95882	0.1
97.02876	0.1
101.02345	0.1
105.90916	0.1
132.41043	0.1
133.02872	0.1
134.97510	0.1
135.04456	0.2
148.99081	0.1
152.98538	0.1
161.02409	0.3
164.98605	0.2
171.10181	0.1
179.03464	0.2
207.10255	0.1
209.11852	0.3
223.13266	0.1
225.00717	0.4
225.11189	0.1
253.09401	0.1
254.01454	0.1
271.06064	0.1
291.19894	0.1
306.37048	0.1
311.22314	0.1
433.50919	0.1
454.20901	0.1
485.82941	0.1
738.88208	0.1
815.38770	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	815.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	8.1
61.98685	1.9
69.14225	0.9
70.02401	0.9
71.00973	0.8
71.01258	10.2
73.02808	2.4
78.95749	1.8
83.01253	1.5
85.02820	5.6
86.26717	1.0
86.64548	0.9
87.00760	1.7
88.98650	2.5
89.02302	3.6
93.03311	2.1
95.01238	2.8
96.95872	1.8
99.00739	1.8
101.02306	5.4
107.04878	1.4
108.02055	44.4
109.02857	18.8
113.02323	6.3
117.03302	3.4
119.03374	1.2
119.04903	10.9
121.02765	1.8
123.00818	1.3
123.04412	1.7
129.31163	1.1
132.02054	3.6
133.02850	36.2
134.03697	5.1
135.04416	27.4
136.04764	1.4
137.02321	4.8
145.02798	3.5
149.02328	1.7
150.03160	1.5
151.03888	2.2
152.01060	62.5
153.01851	21.1
159.04431	1.5
160.01485	3.1
161.02356	100.0
162.02795	2.9
163.03972	5.5
165.01822	2.2
167.03358	2.1
175.03882	4.3
177.01851	3.1
177.05412	1.9
178.02527	1.4
179.03419	20.4
183.04539	1.1
193.04944	1.6
203.03494	1.3
205.01250	1.0
221.04404	1.8
251.05905	1.0
259.88934	0.9
285.03992	1.2
300.02667	1.6
315.07324	42.4
316.07611	2.7
323.07523	4.0
433.11346	3.6
459.09286	2.9
477.10345	53.1
478.10669	6.1
519.11517	6.5
585.63275	1.2
635.32471	1.2
639.15692	10.6
653.20361	4.6
713.63477	1.3
774.32343	1.4
815.20209	53.8
816.20331	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	815.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.6
59.01252	1.8
61.98701	0.9
66.09130	0.4
69.03333	0.4
69.14916	0.4
71.01252	4.6
71.30877	0.4
73.38522	0.4
75.50270	0.4
80.96407	0.5
82.03642	0.4
85.02827	5.6
89.02331	1.0
90.23729	0.4
91.65681	0.4
95.01267	1.7
99.00768	0.9
101.02303	0.5
105.03349	1.1
107.04903	1.2
109.02850	1.2
113.02335	7.1
115.95118	0.3
117.03349	1.3
121.02869	0.4
123.04436	0.5
132.02048	2.9
133.02850	31.7
134.02844	0.3
134.03673	5.6
135.04414	60.1
136.04684	1.8
137.02315	1.9
137.05983	0.9
139.03915	0.6
143.03450	1.1
146.03650	0.5
149.02333	0.5
149.05971	0.4
150.03188	0.7
151.03851	0.4
158.03629	0.8
159.04399	1.0
160.01564	0.5
161.02350	66.5
162.02718	3.2
163.54451	0.4
172.05206	1.0
173.06021	1.3
174.03177	0.7
174.06773	0.9
175.03899	0.8
175.07504	0.5
177.05475	0.8
178.02620	5.9
179.03418	100.0
180.03729	4.4
181.04964	5.0
186.06815	0.4
187.03938	1.1
187.07545	3.3
189.05431	0.5
200.04710	1.2
201.05493	5.9
201.09164	1.1
202.06247	2.0
203.03448	1.8
203.06989	1.2
204.03966	0.4
209.11757	0.5
213.31061	0.3
215.07092	2.3
221.04465	0.5
222.33107	0.4
227.03580	0.4
228.07764	0.7
229.08618	3.4
230.09433	5.0
231.10167	1.2
233.04495	1.1
247.09746	0.8
249.11401	0.5
251.05527	2.4
257.08127	0.8
275.09274	1.3
276.06268	0.4
305.06696	0.7
307.08014	0.5
315.26123	0.4
322.07214	0.4
323.07675	2.4
325.09238	1.7
485.12366	0.6
486.13873	2.8
487.14545	17.8
488.15155	2.5
555.21082	0.9
556.22113	0.5
631.19781	0.4
653.28217	0.7
675.23065	0.7
693.65247	0.4
717.23914	3.2
718.24658	12.8
719.25232	2.7
815.31244	6.7
816.31677	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	815.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.7
57.27739	0.4
59.01247	3.1
61.98706	3.2
62.05732	0.4
65.13474	0.4
67.97980	0.4
69.38483	1.5
69.38905	1.7
71.01250	4.9
73.02811	0.7
85.02817	6.2
89.02326	1.0
95.01285	2.2
98.19770	0.9
99.00776	1.1
101.02305	0.7
105.03334	1.0
107.04885	0.8
109.02831	1.8
111.00773	0.5
113.02328	8.1
115.01756	0.4
117.03349	1.7
119.04905	0.5
121.02829	0.6
123.04444	0.4
125.02318	0.6
132.02048	2.4
133.02850	32.1
134.03682	5.8
135.04413	61.2
136.04750	2.7
137.02339	1.6
137.05963	0.5
139.03873	0.8
143.03416	1.2
145.02960	0.5
150.03096	0.8
151.04002	0.4
158.03635	1.3
159.04433	1.3
160.01546	0.5
161.02348	69.1
162.02676	3.5
172.05193	1.9
173.06012	2.3
174.03116	1.2
174.06764	0.5
175.03914	1.4
177.05466	0.9
178.02647	5.7
179.03413	100.0
180.03729	4.0
181.04956	5.5
183.04428	0.9
185.06018	0.7
187.03893	1.2
187.07571	6.6
189.05516	0.8
199.03879	0.9
200.04718	1.9
201.05525	6.3
201.09198	1.6
202.06244	1.8
203.03439	1.5
203.07098	1.2
210.64551	0.5
213.05571	0.5
214.06317	1.1
215.07059	10.0
216.07503	0.6
221.04526	0.9
227.03459	1.9
227.06935	0.7
228.07878	0.8
229.08630	4.0
230.09438	5.4
231.06694	2.0
231.10080	2.6
233.04529	1.8
245.04552	1.6
247.09628	0.6
251.05623	3.7
257.08109	4.1
275.09293	2.1
305.06662	1.2
322.06790	0.6
323.07751	4.7
325.09161	2.6
387.00946	0.5
426.85449	0.5
461.16519	1.0
486.13858	3.3
487.14572	20.7
488.14813	2.7
674.21478	0.5
675.22534	2.1
689.20923	1.1
717.23615	3.1
718.24799	13.2
719.25000	2.8
757.10010	0.5
771.28564	0.5
815.31140	9.3
816.31866	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	815.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	7.3
61.98705	23.6
63.41775	1.7
69.17062	18.5
71.01258	9.3
73.02797	2.3
74.54109	1.9
78.95779	60.0
81.03318	2.3
83.04906	4.5
96.96840	12.9
101.02346	2.4
102.10710	2.0
127.11192	2.9
149.09608	2.5
152.99513	11.9
163.11208	5.0
165.12761	2.7
171.10175	29.2
187.98837	2.3
197.11784	2.4
207.10237	6.1
209.11783	100.0
210.12105	6.5
211.06190	2.1
223.00015	3.7
225.11285	8.4
227.12837	12.4
235.08217	6.3
241.01144	35.0
253.09267	11.8
255.23286	29.7
256.23645	3.1
259.02301	2.7
277.21735	84.7
278.22086	7.8
297.03860	2.8
433.69708	2.3
445.21063	2.7
553.27271	3.0
725.38391	14.8
726.38922	5.1
742.40845	2.6
779.39526	9.5
797.27435	3.5
797.40936	44.7
798.41522	12.2
815.41937	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	815.499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03352	1.5
59.01244	4.4
63.96123	1.8
71.01257	8.6
75.09843	1.3
78.95759	3.0
78.98462	7.9
79.95603	17.6
80.96393	93.4
85.02800	2.7
87.00761	3.1
93.97147	1.3
94.97964	18.7
96.95850	1.8
98.19795	3.3
101.02287	3.0
106.97957	3.1
107.96480	1.2
122.97438	2.7
125.02322	3.7
134.97488	5.7
136.98988	2.5
148.99055	6.9
152.98528	6.8
164.98582	11.4
206.99496	2.4
217.00262	2.2
225.00722	15.5
255.23264	2.6
277.21680	1.7
289.60867	1.3
292.16687	1.3
514.60315	1.7
815.49817	100.0
816.50140	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	816.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14921	0.1
59.01233	0.1
61.98705	100.0
62.92492	0.1
62.98412	0.1
62.99113	0.3
63.99125	0.3
70.39285	0.1
71.01267	0.2
75.00768	0.2
78.91788	0.1
78.95791	0.5
80.91577	0.2
80.96395	0.4
85.02847	0.1
94.98006	0.1
113.02291	0.1
128.43053	0.1
135.04385	0.2
135.59485	0.1
161.02303	0.2
173.29277	0.1
179.03490	0.2
195.13913	0.2
209.11787	0.2
293.21432	0.3
295.23016	0.2
341.23663	0.2
383.70779	0.1
465.72324	0.1
682.93176	0.1
816.51331	0.4
817.41199	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.3
61.98701	100.0
62.98403	0.2
71.01253	0.3
74.34151	0.1
78.95791	0.2
78.98473	0.1
79.95585	0.5
80.96388	1.3
85.02813	0.2
87.00746	0.2
87.08684	0.1
88.52730	0.1
94.97978	0.2
97.02860	0.1
101.02339	0.2
111.15799	0.1
111.32191	0.1
113.02347	0.2
114.97117	0.1
133.02882	0.3
134.03636	0.1
135.04449	0.5
136.04753	0.1
161.02357	0.9
164.98579	0.2
171.10201	0.2
179.03433	0.9
184.21393	0.1
185.76013	0.1
190.47688	0.1
197.11725	0.2
209.11880	0.4
211.13377	0.1
219.69298	0.1
225.00806	0.3
291.19751	0.2
309.20755	0.3
397.13480	0.1
408.15942	0.1
471.19501	0.2
817.36981	1.3
840.19171	0.1
843.81238	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.9
61.98703	100.0
62.98410	0.2
75.00748	0.1
80.96411	0.2
88.14135	0.1
98.19787	0.3
103.55135	0.1
141.01627	0.5
141.25903	0.1
179.03477	0.1
225.00854	0.1
237.22823	0.1
397.13376	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	100.0
62.98408	0.2
64.25251	0.1
66.90735	0.1
66.91173	0.1
71.28341	0.1
77.05534	0.1
78.22384	0.1
80.96388	0.1
91.98721	0.1
94.29282	0.1
244.31680	0.1
346.87827	0.1
501.26099	0.1
597.66943	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	817.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.7
57.46715	2.1
59.01252	24.1
59.12096	2.3
61.98703	57.6
69.84594	2.3
71.01254	26.0
71.10588	2.5
71.52022	3.9
72.99189	3.2
73.02817	9.3
74.59807	2.0
79.95636	2.1
83.01261	3.9
85.02829	11.0
87.00757	4.3
87.53997	2.5
88.98678	3.9
89.02331	8.9
91.30556	2.2
93.03333	5.9
95.01260	3.6
96.95882	40.5
99.00766	4.1
101.02336	11.5
106.06529	6.1
108.02040	3.1
113.02326	12.2
117.03368	3.8
119.03392	2.7
122.06001	10.7
126.71661	2.3
132.04478	2.9
133.02873	5.9
134.03645	2.9
134.06012	38.3
135.04407	6.7
136.01578	7.1
137.02382	13.7
137.03299	3.0
137.04529	2.6
142.01454	2.3
145.02815	5.4
146.04520	3.3
147.04663	2.3
149.04474	2.2
150.06700	2.8
151.00279	3.6
151.03864	11.7
152.01146	5.3
152.07077	7.6
158.02434	2.5
160.03925	4.4
161.02364	17.1
162.02652	2.9
175.03894	3.7
179.03378	8.6
190.05042	4.6
193.05025	3.1
209.11720	3.4
213.10284	8.7
214.49635	2.7
225.10199	3.5
226.85085	2.3
237.10353	3.4
239.11890	5.2
251.08194	2.4
263.08221	2.7
265.09805	3.2
267.11398	9.9
277.09879	3.6
279.07672	3.4
279.11670	2.4
285.12421	6.9
293.09198	5.0
305.09390	8.4
306.09918	3.8
316.14487	8.4
327.13379	4.9
340.14453	15.0
341.15253	3.0
356.14133	3.6
357.14935	2.9
358.15714	4.0
370.15912	3.2
384.13538	9.6
398.15048	8.8
410.15057	2.8
412.16608	3.2
463.21854	2.6
505.22327	2.9
530.20380	2.8
531.20154	3.9
546.11786	2.6
573.21527	3.4
574.21301	3.0
591.22540	5.6
679.36987	14.9
680.37415	13.2
685.28430	3.4
694.26331	10.0
712.26971	4.9
725.27808	4.6
753.27710	100.0
753.41370	5.1
754.27612	18.8
785.30371	85.5
786.30548	23.2
817.31635	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	817.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.2
58.00467	0.8
59.01252	13.6
60.99192	0.3
61.98704	15.4
69.03337	3.0
71.01254	12.1
71.04881	0.6
72.01614	0.3
72.99174	1.4
73.02819	1.6
73.41044	0.3
75.00751	0.3
78.95790	0.4
80.02563	0.9
81.03333	1.1
83.01247	1.7
83.04905	3.7
83.71110	0.3
84.02074	0.6
85.02826	4.9
87.00754	2.2
88.98658	1.6
89.02317	9.1
90.02686	0.4
93.03319	0.8
95.01269	1.3
95.04895	0.9
96.95882	1.5
97.02834	1.5
97.06467	0.4
99.00751	1.3
99.13610	0.2
101.01697	0.6
101.02324	8.0
109.02844	0.6
109.06459	0.4
111.00706	0.3
111.08067	0.6
113.02334	7.2
114.02700	0.6
117.03377	0.4
119.03391	2.6
121.02882	0.5
125.02328	3.2
125.09593	0.3
127.03890	0.4
131.03397	0.4
131.31287	0.3
132.02072	0.6
133.02864	7.6
134.03090	1.4
135.04422	12.6
135.08070	0.6
136.04758	3.8
137.02307	0.9
137.04967	0.5
137.05954	0.3
137.41469	0.3
139.03920	0.7
141.01839	0.5
143.03410	1.7
145.02858	0.6
149.05968	0.4
151.03883	0.4
153.09157	0.5
161.02361	15.8
161.04375	2.6
162.02699	4.1
162.06772	0.6
163.02861	1.2
163.11192	3.1
165.09053	0.4
165.12753	3.2
171.10190	0.4
173.05989	0.5
175.02441	0.5
175.03935	0.5
178.02626	1.1
179.03413	16.0
179.05501	3.0
180.03749	6.9
181.03632	1.6
181.05200	0.6
181.12254	3.0
184.05045	0.3
185.04410	0.3
187.03886	0.3
187.07576	1.4
188.07912	0.7
189.05513	0.3
191.10695	5.1
201.05405	0.9
202.06061	0.9
203.03467	0.4
207.10255	0.5
209.11775	100.0
210.12105	5.7
211.13289	0.5
215.07060	1.3
216.07379	0.7
217.07343	0.4
221.06647	1.1
227.12842	10.3
228.13141	0.7
229.08678	0.8
230.09224	0.9
231.09972	0.7
232.07031	0.4
235.04634	0.3
235.08211	2.8
247.13402	0.8
251.05650	0.6
251.12772	0.3
252.05894	0.3
253.09290	0.6
257.08148	0.7
259.08469	0.5
287.07697	1.1
305.08731	1.0
323.09857	0.6
325.08524	0.5
379.12408	3.5
380.12729	0.3
397.13516	23.0
398.13544	1.4
415.14639	7.0
416.14740	0.4
487.14413	1.6
487.34573	0.8
488.15048	1.9
489.15015	1.5
519.33453	0.3
566.25549	0.3
589.24854	2.2
607.26093	4.1
608.26422	0.7
718.24506	0.4
719.25140	1.9
720.25458	2.8
781.36346	0.4
785.30054	1.2
799.38989	0.7
817.30481	3.0
818.32318	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	7.5
61.98701	11.8
68.06926	1.1
71.01254	5.9
71.04888	8.4
71.52081	1.6
73.02804	1.3
73.85342	1.1
76.10459	1.1
78.95775	5.1
80.96450	1.3
83.01273	1.2
85.02835	2.2
87.00752	1.4
89.02309	3.9
95.04914	8.1
96.96841	1.4
99.96970	1.2
101.02340	5.5
109.06482	6.2
113.02339	3.1
119.03423	1.1
121.06426	1.5
125.09712	1.3
135.08170	1.6
135.18161	1.1
147.08005	1.8
161.04491	2.6
161.05933	1.0
165.09102	4.3
171.10143	1.4
179.14371	1.5
189.12772	5.0
190.75630	1.3
195.13879	7.7
205.12299	1.7
205.15866	3.8
223.13353	8.6
231.13821	1.6
233.11853	2.4
235.08160	2.8
241.01196	1.8
243.17534	6.1
249.14977	5.7
253.09299	19.8
255.23247	1.8
256.13147	2.2
275.20157	4.1
283.96768	1.2
287.16541	44.2
288.16852	4.5
289.17911	1.6
293.21240	100.0
294.21637	8.9
305.17581	93.2
306.17953	7.8
307.19067	1.2
417.83820	1.1
541.26538	3.9
657.46234	1.2
799.41602	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72355	0.1
60.33907	0.1
61.98703	100.0
62.98403	0.2
64.86687	0.1
71.30548	0.1
78.95847	0.1
80.96397	0.2
106.20697	0.1
554.40454	0.1
663.17065	0.1
818.49371	0.2
819.53540	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
62.98393	0.1
70.53945	0.2
70.54324	0.1
71.77067	0.1
78.95781	0.2
80.96395	0.1
88.98681	0.1
102.20959	0.1
103.33016	0.1
107.45429	0.1
164.98557	0.1
171.10214	0.1
197.11739	0.1
209.11624	0.1
211.13347	0.1
225.00720	0.1
452.48245	0.1
469.33267	0.2
476.10577	0.1
487.34177	0.5
536.12659	0.1
818.36932	0.2
818.50378	0.1
819.40137	0.1
819.54242	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.5
61.98706	100.0
62.98391	0.2
69.25752	0.1
71.01266	0.6
71.31150	0.2
75.00761	0.1
78.95780	0.1
79.95614	0.2
80.96393	0.8
85.02850	0.2
87.00793	0.1
89.02341	0.3
94.97984	0.3
96.95921	0.2
101.02354	0.2
111.24837	0.1
113.02358	0.4
116.92757	0.2
123.80914	0.1
125.02336	0.2
133.02875	0.6
135.04456	0.8
136.04771	0.2
137.02347	0.1
152.98485	0.1
161.02354	1.4
162.02744	0.3
163.11212	0.1
164.98578	0.2
171.10252	0.1
175.46027	0.1
179.03445	1.1
179.72200	0.1
180.03804	0.3
209.11864	0.5
211.13344	0.3
225.00784	0.4
291.19742	0.1
397.13800	0.2
443.39651	0.1
550.85187	0.1
720.26038	0.2
721.27069	0.5
766.19971	0.1
774.82983	0.1
817.51837	0.2
818.51367	0.1
819.38269	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.3
59.23537	0.1
61.98702	100.0
62.98417	0.2
67.16169	0.2
67.87226	0.1
69.56270	0.7
71.01270	0.2
78.95772	0.2
78.98472	0.2
79.95586	0.2
80.96401	0.9
85.05080	0.1
98.20602	0.2
101.02366	0.2
113.02393	0.2
119.27968	0.1
164.98607	0.2
171.10194	0.2
185.11771	0.2
195.13875	0.2
209.11859	0.5
214.53873	0.1
218.54251	0.2
225.00777	0.3
231.40634	0.2
231.81752	0.1
237.11140	0.1
245.19060	0.3
253.09334	0.4
275.20023	0.2
289.18082	1.3
291.19720	0.5
293.21252	1.6
307.19092	1.1
309.20859	0.3
722.96783	0.2
818.43835	0.2
819.41449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	16.1
61.98706	20.8
62.47992	1.8
67.01752	1.9
70.45036	2.2
71.01254	20.9
72.56315	2.0
72.99172	2.9
73.02814	4.5
75.00727	3.3
76.62627	2.2
81.03355	2.1
83.01260	3.1
85.02808	9.7
87.00732	2.7
89.02311	6.8
93.02849	2.7
93.03342	31.3
95.01261	5.0
96.95879	4.6
98.19817	8.7
101.02335	11.2
108.02061	86.1
109.02177	3.6
109.02851	52.7
109.03945	2.2
113.02306	7.3
117.03329	4.3
119.03401	2.2
119.04922	16.1
121.02871	2.9
123.04412	5.1
125.02325	3.6
128.03398	2.6
132.02034	7.5
133.02864	10.6
134.03662	17.7
134.05977	4.4
135.04366	7.7
136.01512	3.6
137.02354	61.6
137.99480	3.3
145.02850	11.3
146.04471	4.9
149.02342	2.7
149.05943	3.1
150.06725	4.9
151.03870	8.8
152.01062	80.9
152.04485	3.9
152.07111	3.0
153.00673	3.1
153.01857	58.5
153.03073	3.9
153.05440	5.9
153.06601	2.6
160.01564	25.8
161.02399	20.0
161.04480	2.4
163.03975	11.3
165.01836	4.2
175.03925	21.4
177.01923	2.7
179.03351	8.5
179.10663	5.9
191.07066	3.1
193.04909	7.9
200.54207	2.0
209.11731	2.7
226.42964	2.2
230.59007	2.3
241.09921	2.9
283.10806	3.0
301.12103	3.2
307.07892	2.9
315.07086	7.3
397.13345	2.5
471.12674	4.8
486.16321	2.6
489.16800	2.8
503.33191	3.4
555.59503	2.8
643.22467	33.8
644.22437	5.8
657.26593	2.7
657.41803	6.8
697.67719	2.8
755.27985	9.5
787.30444	7.8
819.27051	100.0
820.27362	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	16.1
61.98706	20.8
62.47992	1.8
67.01752	1.9
70.45036	2.2
71.01254	20.9
72.56315	2.0
72.99172	2.9
73.02814	4.5
75.00727	3.3
76.62627	2.2
81.03355	2.1
83.01260	3.1
85.02808	9.7
87.00732	2.7
89.02311	6.8
93.02849	2.7
93.03342	31.3
95.01261	5.0
96.95879	4.6
98.19817	8.7
101.02335	11.2
108.02061	86.1
109.02177	3.6
109.02851	52.7
109.03945	2.2
113.02306	7.3
117.03329	4.3
119.03401	2.2
119.04922	16.1
121.02871	2.9
123.04412	5.1
125.02325	3.6
128.03398	2.6
132.02034	7.5
133.02864	10.6
134.03662	17.7
134.05977	4.4
135.04366	7.7
136.01512	3.6
137.02354	61.6
137.99480	3.3
145.02850	11.3
146.04471	4.9
149.02342	2.7
149.05943	3.1
150.06725	4.9
151.03870	8.8
152.01062	80.9
152.04485	3.9
152.07111	3.0
153.00673	3.1
153.01857	58.5
153.03073	3.9
153.05440	5.9
153.06601	2.6
160.01564	25.8
161.02399	20.0
161.04480	2.4
163.03975	11.3
165.01836	4.2
175.03925	21.4
177.01923	2.7
179.03351	8.5
179.10663	5.9
191.07066	3.1
193.04909	7.9
200.54207	2.0
209.11731	2.7
226.42964	2.2
230.59007	2.3
241.09921	2.9
283.10806	3.0
301.12103	3.2
307.07892	2.9
315.07086	7.3
397.13345	2.5
471.12674	4.8
486.16321	2.6
489.16800	2.8
503.33191	3.4
555.59503	2.8
643.22467	33.8
644.22437	5.8
657.26593	2.7
657.41803	6.8
697.67719	2.8
755.27985	9.5
787.30444	7.8
819.27051	100.0
820.27362	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00452	1.0
59.01255	8.8
61.90131	1.0
61.98702	1.7
69.83359	1.0
71.01260	10.5
71.51986	1.3
72.99181	100.0
73.02833	4.5
73.99509	1.9
75.00755	1.3
83.01234	0.9
85.02818	3.5
87.00743	1.7
89.02317	6.6
93.03306	1.4
95.01253	2.2
99.00758	12.1
101.02330	4.2
107.04894	3.7
108.02040	2.2
109.02822	4.2
113.02320	6.6
119.03392	1.5
119.04897	1.9
121.02845	2.4
121.06485	1.0
122.03642	1.3
123.04408	34.8
125.02282	1.1
131.03384	2.1
133.02847	2.1
134.03654	5.1
135.04417	75.6
136.04712	2.4
137.02280	3.2
141.01848	1.0
145.02859	3.1
148.59949	1.1
149.04462	2.8
151.03911	5.2
152.00998	4.6
153.05421	1.3
161.02345	5.0
161.04396	2.0
163.03934	2.0
165.05472	2.2
167.03381	2.9
179.03416	66.6
180.03781	3.0
184.56154	1.0
191.05576	1.8
197.04488	69.5
198.04799	3.7
234.44701	0.9
270.00980	1.0
281.87396	1.0
349.18414	1.0
359.09665	1.8
386.61240	1.3
477.19788	4.4
657.63892	1.1
684.19623	1.1
819.29224	71.1
820.29413	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	819.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.1
59.01252	10.6
61.98706	6.8
69.87206	0.6
71.01261	10.0
71.51293	0.9
72.99194	1.6
73.02825	1.9
77.96170	0.6
80.04916	0.7
83.01266	1.4
85.02839	4.2
85.03270	0.8
87.00769	1.4
88.98686	1.2
89.02306	4.7
93.03336	1.4
95.01283	1.9
95.04901	0.7
96.95922	1.7
99.00772	2.7
101.02318	6.2
102.05485	1.6
108.02061	15.2
108.04417	0.8
109.02853	4.4
109.56235	0.7
111.00794	0.9
113.02341	5.3
115.00294	0.9
117.03374	1.4
119.03403	2.1
119.04926	2.3
120.04444	2.7
121.02864	1.7
121.05228	1.8
121.06469	3.6
122.06011	5.9
123.04402	3.8
125.02326	0.7
128.03447	1.3
132.04472	0.7
133.02859	2.3
134.06023	2.9
135.04428	3.6
135.06789	1.4
136.07582	11.9
137.02365	3.5
137.05916	0.6
143.03404	0.8
145.02881	4.5
145.06114	1.4
146.03511	1.1
146.04503	3.7
146.05495	0.6
149.02332	1.0
150.03181	0.7
151.04031	0.6
152.01059	18.4
152.07086	1.4
153.01790	3.0
158.02370	1.5
160.01608	1.5
160.03972	1.0
161.02354	6.3
161.04372	1.4
161.05925	1.0
161.07156	1.1
162.02821	0.6
163.03970	2.0
164.04713	1.8
165.01884	0.8
165.05463	3.2
167.03416	10.5
171.11748	2.3
175.02452	0.7
175.03932	1.9
177.01785	1.1
179.03415	2.4
179.05527	0.8
179.06940	0.9
181.01503	0.8
186.09241	0.9
186.15688	0.6
190.05072	5.7
191.05493	0.7
193.05090	0.8
195.06664	0.8
195.13756	1.1
198.09187	1.7
199.09938	1.8
209.11821	1.2
213.14925	1.0
214.07321	1.0
214.12335	11.9
226.07385	0.9
227.08183	1.6
228.09012	1.0
229.09836	5.5
230.11911	4.6
241.09772	10.5
242.10555	17.1
243.11053	1.1
247.70883	0.6
255.11397	0.8
256.12009	0.9
257.12939	92.1
258.13284	6.8
274.09781	0.8
283.10895	6.0
285.03961	0.8
301.11935	100.0
302.12265	10.2
315.07352	0.8
337.11987	1.4
357.29718	0.7
373.14078	1.2
375.19995	1.3
403.14996	1.0
461.20425	3.7
463.17047	2.1
473.27444	2.0
477.13617	0.9
479.21640	1.1
489.23291	3.5
491.28650	3.6
495.14435	0.7
507.24527	3.5
517.18268	19.2
518.18469	3.7
519.24548	5.1
520.24780	0.9
537.25397	1.0
639.19568	0.8
743.29132	0.9
787.27966	1.5
819.26996	9.1
820.29547	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	819.49
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.1
59.01248	10.0
61.98699	7.7
69.03311	0.9
69.76078	3.3
71.01244	8.4
71.04861	0.8
72.99187	0.9
73.02808	1.4
75.13177	0.7
78.95737	1.0
79.95617	1.1
80.96378	4.5
81.03334	1.6
83.04917	1.7
85.02816	2.7
87.00745	1.2
89.02323	5.5
94.97927	1.4
95.01255	0.8
95.04875	1.9
97.02792	1.1
97.06477	2.1
98.19893	1.3
101.02324	7.4
110.17017	0.8
111.08037	10.5
113.02322	4.1
113.09597	0.8
116.18733	0.8
119.03385	1.6
119.08543	0.8
121.06474	0.7
123.04398	2.1
123.08028	0.9
125.09618	2.6
131.03458	0.8
135.08049	0.9
137.09602	2.9
161.04465	4.1
162.78658	0.7
163.11148	3.9
165.12752	1.4
167.10658	1.2
169.12242	2.4
177.12749	0.8
179.05478	1.4
179.10670	1.3
179.14333	0.7
181.12238	2.3
185.11732	3.4
191.14348	3.9
195.13820	9.9
196.14165	0.8
197.11761	25.7
198.12138	1.6
199.13341	1.3
205.12213	0.9
205.15884	0.9
207.10240	1.8
209.11774	8.6
211.13278	5.4
223.13361	8.3
225.00638	1.1
225.11296	1.4
227.12857	1.2
228.13551	0.7
235.08057	3.7
237.11282	3.3
243.17216	0.9
245.19083	8.6
247.20726	1.1
253.09261	29.6
254.09576	1.1
255.23291	1.2
256.13181	0.9
263.20197	3.6
271.16965	1.7
273.18756	1.3
275.20163	6.5
289.18082	46.3
290.18570	4.1
291.19659	63.5
292.19998	4.3
293.21213	100.0
294.21506	8.5
307.19125	42.8
308.19458	3.1
309.20706	34.0
310.21072	4.0
310.24136	0.7
445.20789	0.8
525.26312	1.1
527.28442	2.6
543.28186	1.3
545.29791	1.1
583.39478	0.9
607.07324	0.8
819.42651	3.1
820.42450	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76447	0.3
59.01249	5.9
61.98706	12.4
63.53093	0.3
69.03308	0.5
69.32951	2.6
71.01257	4.9
71.04890	1.4
72.99173	0.4
73.02818	0.5
77.73397	0.3
80.02538	0.6
81.03329	0.5
82.95295	0.4
83.01256	0.5
83.04881	0.4
85.02832	1.2
87.00749	0.8
89.02318	3.3
95.01277	0.5
95.04909	1.1
97.02847	0.5
98.03601	0.4
101.02327	3.6
106.04132	0.4
109.05724	0.4
109.06479	7.7
111.04411	2.0
111.08039	1.1
112.05183	0.3
113.02348	1.8
119.03380	1.0
123.08048	1.2
124.58338	0.3
125.02332	0.3
127.07526	1.0
135.08073	0.6
137.05975	0.3
137.09616	0.6
143.03416	0.7
143.10661	0.9
145.05003	0.3
145.06467	1.6
149.05986	0.3
149.09631	0.9
151.11214	0.6
161.04472	1.8
163.11208	0.7
167.10640	1.8
171.10152	0.3
177.12793	0.9
179.10701	0.8
179.14357	0.9
181.12286	0.7
195.13832	9.6
196.14323	0.6
205.12213	0.7
205.15886	0.4
211.13379	0.4
223.13348	4.4
224.14014	0.5
225.14830	0.5
228.13661	0.5
231.21024	0.4
235.08206	2.3
235.13356	0.7
245.19093	3.6
249.14894	0.5
251.16637	0.4
253.09268	16.4
254.09595	0.8
256.13156	0.9
256.15979	0.3
263.19946	0.3
265.21854	0.3
271.17038	1.0
275.20148	3.9
276.20551	0.5
287.16602	1.7
289.18097	100.0
290.18460	8.1
291.19415	0.5
293.21222	80.5
294.21570	6.9
307.19159	4.7
308.19431	0.4
525.26904	3.3
526.27264	0.6
529.30371	0.5
576.38336	0.3
583.04138	0.3
648.43005	0.3
839.65582	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.0
59.01247	6.8
59.26659	0.8
61.98693	3.2
69.03344	0.9
71.01243	7.5
71.51704	1.0
73.02809	1.5
81.03305	0.9
83.04883	1.0
85.02810	2.3
87.00733	1.3
89.02323	3.0
95.04902	1.5
96.95904	1.3
97.06442	4.9
101.02334	5.0
111.08039	1.5
113.02333	3.9
143.03423	0.9
151.11212	4.3
155.10638	1.4
161.04463	1.9
163.11177	1.5
165.12733	5.5
167.10654	1.2
169.12276	1.8
171.10101	1.1
177.12674	1.2
179.10678	2.8
181.12253	5.3
183.10304	0.8
183.13791	2.0
191.10678	2.7
191.14345	1.3
195.13873	9.3
198.82176	1.0
205.12250	2.8
209.11792	14.1
210.12094	1.6
211.13301	2.7
223.13368	6.5
227.12805	6.1
228.13652	1.3
235.08180	3.2
239.12781	1.0
245.19102	3.5
253.09270	12.5
256.13208	1.5
263.20142	9.5
265.14566	0.7
275.20181	6.0
276.20590	0.8
277.21671	3.5
289.18115	10.7
290.18488	1.4
293.21219	100.0
294.21463	7.6
307.19150	38.1
308.19495	2.4
359.69223	0.8
360.50003	0.9
372.95264	0.8
445.20813	7.6
525.26721	1.8
543.28217	5.7
721.41949	1.9
723.77338	0.9
733.33850	0.9
736.40808	1.1
789.44299	0.9
798.96527	1.0
819.48792	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	819.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.3
58.00470	0.4
59.01251	6.8
61.98704	61.5
62.98405	0.4
63.99115	0.3
66.11787	0.3
69.03328	1.3
70.79560	0.5
70.79906	0.7
71.00887	0.7
71.01254	5.8
73.02816	0.8
78.95805	0.4
79.57733	0.3
80.02534	0.5
80.96399	0.6
81.03349	1.0
83.01261	1.1
83.04897	1.1
85.02835	1.3
87.00753	1.3
89.02332	4.2
95.01257	0.6
95.04926	1.5
97.02835	1.5
97.06474	3.4
101.02328	5.1
106.04099	0.5
108.02076	0.4
109.06480	1.1
111.08053	0.9
113.02332	2.7
119.03395	1.3
121.06451	0.6
123.04405	2.0
123.08047	1.0
125.06013	0.4
125.09610	3.5
125.46107	0.3
135.08101	0.8
137.05984	0.4
137.09627	2.0
141.12781	0.6
145.06580	0.3
149.05966	0.5
151.11183	0.6
161.04457	2.7
161.09641	0.6
163.07568	0.6
163.11169	4.7
165.12796	0.9
167.10730	0.8
171.10181	0.9
175.11237	0.5
177.12729	0.8
179.05544	0.7
179.10721	0.7
179.14357	0.7
181.12256	1.2
185.11740	5.0
191.10684	0.6
191.14337	6.0
191.66667	0.3
195.13832	8.7
196.14413	0.5
197.11922	0.4
205.12193	1.0
207.10257	2.2
209.11766	12.0
210.12103	0.8
211.13300	2.2
217.15941	1.0
221.11768	0.4
223.13336	6.6
224.13699	0.4
225.11301	2.4
228.13632	0.8
231.21100	0.4
235.08211	2.4
236.67719	0.4
237.11288	5.1
243.17589	0.5
245.19087	10.6
246.19434	0.9
249.22430	0.4
253.09267	21.8
254.09627	1.3
256.13095	1.1
263.20132	2.7
271.16956	1.6
275.20151	5.7
276.20425	0.5
277.21722	0.4
281.21133	0.6
289.18100	57.4
290.18420	5.9
291.19739	1.7
293.21222	100.0
294.21573	9.3
305.17581	0.4
307.19147	56.2
308.19513	4.8
309.20749	1.1
365.19598	0.3
405.41327	0.3
445.20618	0.7
448.82227	0.4
525.26801	1.0
529.30109	0.6
543.28357	1.9
544.28583	0.4
565.38495	0.4
681.34589	0.5
750.40479	0.4
819.49017	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.9
69.61021	2.0
69.61427	3.2
71.01259	5.1
72.99178	100.0
73.02827	1.6
73.99516	1.2
75.00732	1.0
78.42626	1.0
83.01254	1.3
85.02824	2.9
89.02316	2.9
91.05376	0.9
93.03330	1.9
95.04863	1.3
98.20473	1.4
99.00750	1.2
101.02309	3.8
107.04929	2.7
108.02078	1.5
109.02817	3.7
113.02304	4.1
117.03331	1.6
119.04916	1.2
121.02690	0.8
122.03652	1.7
123.03546	2.0
123.04407	38.0
125.02352	1.4
133.02832	2.2
134.03595	2.9
135.04410	70.6
136.04735	3.0
137.02327	4.0
145.02888	1.2
150.03101	1.0
151.03957	4.6
152.00995	1.3
161.02347	4.8
163.03883	1.1
167.36734	0.8
178.92760	1.1
179.03415	56.4
180.03799	2.8
181.04922	2.2
195.06754	1.1
197.04486	59.5
198.04805	3.6
211.65594	1.1
359.09836	2.6
461.20105	3.3
479.21237	7.8
497.27359	1.3
570.56976	1.1
659.23291	3.7
797.82452	1.1
821.30829	84.0
822.31012	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	821.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.9
69.61021	2.0
69.61427	3.2
71.01259	5.1
72.99178	100.0
73.02827	1.6
73.99516	1.2
75.00732	1.0
78.42626	1.0
83.01254	1.3
85.02824	2.9
89.02316	2.9
91.05376	0.9
93.03330	1.9
95.04863	1.3
98.20473	1.4
99.00750	1.2
101.02309	3.8
107.04929	2.7
108.02078	1.5
109.02817	3.7
113.02304	4.1
117.03331	1.6
119.04916	1.2
121.02690	0.8
122.03652	1.7
123.03546	2.0
123.04407	38.0
125.02352	1.4
133.02832	2.2
134.03595	2.9
135.04410	70.6
136.04735	3.0
137.02327	4.0
145.02888	1.2
150.03101	1.0
151.03957	4.6
152.00995	1.3
161.02347	4.8
163.03883	1.1
167.36734	0.8
178.92760	1.1
179.03415	56.4
180.03799	2.8
181.04922	2.2
195.06754	1.1
197.04486	59.5
198.04805	3.6
211.65594	1.1
359.09836	2.6
461.20105	3.3
479.21237	7.8
497.27359	1.3
570.56976	1.1
659.23291	3.7
797.82452	1.1
821.30829	84.0
822.31012	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	821.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.7
59.01253	5.0
61.98711	1.7
69.03334	0.6
71.01255	4.4
71.30163	0.4
83.01281	0.4
83.04917	1.1
84.94975	0.4
85.02846	1.2
87.00771	1.2
89.02317	3.0
95.01244	0.4
97.02831	2.0
101.02321	5.0
109.06492	0.7
111.08043	4.6
113.02318	2.1
113.09629	0.4
115.00282	0.6
119.03399	0.8
123.08073	0.4
127.07585	0.6
133.01317	1.9
133.04950	0.5
137.09625	0.8
143.03256	0.4
153.12868	0.3
161.04497	2.4
163.11189	0.6
165.12808	1.0
167.10699	0.7
169.12244	1.7
169.86421	0.4
171.10175	2.3
177.12770	0.6
179.05614	0.8
179.14313	0.5
181.12292	0.9
183.13898	1.1
193.12265	0.5
195.13829	8.9
196.14401	0.5
197.11778	19.1
198.12111	1.0
199.13264	1.0
205.12149	0.7
209.11835	0.5
211.13380	4.8
212.13551	0.4
223.13341	6.4
224.13832	0.5
227.12848	1.0
231.21156	0.5
235.08226	2.0
247.20616	0.7
253.09265	27.1
254.09627	1.5
256.13196	1.0
259.87256	0.4
261.64258	0.4
263.20050	1.2
264.20486	0.5
265.21387	0.5
273.18542	1.0
275.20132	5.7
276.20593	0.9
291.19699	15.6
292.20071	2.0
293.21231	100.0
294.21536	9.6
309.20715	55.8
310.21027	5.3
357.40848	0.4
475.66010	0.6
492.21817	0.5
529.30212	1.2
545.29449	1.6
585.41638	3.3
586.41937	0.7
777.29010	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.6
58.65518	0.3
59.01251	5.8
61.98690	0.6
69.03332	0.8
70.38418	0.5
70.38761	0.6
71.01257	5.5
73.02819	0.9
83.01258	0.8
83.04909	0.4
85.02802	1.0
87.00719	0.8
89.02319	3.3
95.04914	0.5
97.02818	0.6
101.02333	4.4
108.40976	0.3
109.06466	0.4
111.08043	6.9
112.08403	0.3
113.02323	2.4
119.03382	0.7
122.81936	0.3
127.07524	0.5
141.09120	0.4
143.03384	0.5
153.12721	0.7
161.04472	2.3
165.12663	0.5
167.10675	0.4
169.12256	2.9
179.05505	0.9
179.14322	0.8
181.12303	1.1
183.13849	0.5
193.12331	0.6
195.13860	7.6
196.14426	0.8
197.11772	34.7
198.12099	2.6
199.13330	2.0
205.12280	0.9
211.13326	6.0
223.13374	5.5
224.13745	0.4
225.14821	0.6
227.12813	1.0
228.13411	0.4
235.08247	2.9
244.28406	0.3
247.20573	0.4
249.15045	0.4
253.09276	26.4
254.09593	1.4
256.13141	1.5
263.20065	1.5
265.18063	1.1
273.18585	1.0
275.20172	5.5
276.20444	0.6
289.53055	0.4
291.19693	12.6
292.20026	1.2
293.21228	100.0
294.21576	11.5
309.20715	48.3
310.21054	4.8
329.74673	0.4
433.20981	0.4
492.22275	0.5
527.28571	0.4
529.30237	1.1
545.29828	0.9
585.41809	2.1
586.41486	0.7
588.67963	0.4
660.72443	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.6
58.00471	0.5
59.01248	5.1
59.80624	0.3
60.14467	0.3
61.98703	1.0
69.03330	0.8
70.89603	0.6
71.01252	4.6
73.02831	0.8
73.97984	0.3
75.26429	0.3
83.01261	0.6
85.02834	1.3
87.00761	1.0
89.02312	3.9
97.06523	0.3
99.00768	0.4
101.02328	4.8
109.06463	0.5
111.08041	6.4
113.02331	2.6
113.09589	0.5
119.03391	1.1
127.07526	0.7
140.72847	0.3
143.03377	0.6
151.11148	0.7
153.12714	0.6
161.04459	2.9
167.10698	0.4
169.12256	2.8
177.12798	0.4
179.05536	0.6
179.10710	0.5
179.14336	0.8
181.12242	1.2
183.13860	0.6
193.12192	0.5
195.13843	7.0
196.14461	0.8
197.11768	31.9
198.12144	2.1
199.13422	1.4
205.12292	0.7
205.15971	0.3
211.13327	5.8
212.13663	0.3
223.13353	5.8
223.15405	0.6
224.13823	0.6
227.12875	0.8
228.13710	0.6
235.08165	2.7
253.09268	29.2
254.07330	0.3
254.09618	1.7
256.13171	1.2
263.20172	2.2
265.18060	0.7
265.21582	0.4
273.18643	0.4
275.20148	4.8
276.20505	0.6
291.19669	11.5
292.19980	1.6
293.21219	100.0
294.21542	12.1
309.20697	53.3
310.21057	5.6
353.96439	0.3
492.22275	0.4
523.33270	0.3
529.29980	0.7
545.29504	1.3
561.79376	0.3
585.41486	2.8
586.41937	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.7
59.01247	4.6
61.98705	10.1
67.01746	0.7
69.53458	2.8
71.01253	4.2
73.02819	0.5
85.02817	1.2
87.00751	0.6
89.02314	2.7
95.01286	0.5
101.02332	2.7
111.08086	0.6
113.02322	1.7
119.03395	0.7
120.68792	0.4
121.10115	2.3
125.09596	3.4
140.24374	0.4
141.01756	0.4
143.03444	0.6
147.07957	0.5
161.04463	1.5
167.14307	0.8
171.10161	4.7
179.05530	0.5
179.14409	1.1
185.11732	3.6
194.30020	0.5
195.13820	9.4
196.14394	0.5
197.11746	1.5
205.12263	0.5
211.13341	61.6
212.13696	3.4
223.13345	6.2
224.13841	0.5
235.08180	2.5
244.36049	0.4
247.20844	0.5
253.09258	19.6
254.09572	0.8
256.13144	1.0
257.24689	0.5
265.21448	0.4
273.18619	0.7
275.20193	7.4
276.20392	0.7
291.19669	42.5
292.20084	4.4
293.21231	100.0
294.21585	9.8
309.20703	3.8
431.55145	0.4
447.22321	1.4
487.34531	0.9
527.28705	2.9
529.30182	2.4
567.40845	0.5
619.01239	0.4
734.42889	0.5
803.49274	1.1
821.46570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	10.7
61.98705	4.2
68.15156	1.3
70.13451	2.7
71.01254	10.1
73.02817	1.6
74.09159	1.4
78.95766	1.7
85.02842	2.9
87.00779	1.9
89.02309	6.2
99.00796	1.4
101.02307	6.5
101.51835	1.3
111.08043	9.0
113.02321	4.2
119.03410	1.7
125.02225	1.3
125.09662	2.0
137.09569	2.0
161.04456	2.5
167.10635	1.9
171.10173	1.3
177.12775	2.3
179.05467	1.5
179.10710	1.9
181.12390	1.5
185.11795	7.0
188.22565	1.5
195.13843	14.4
197.11827	3.7
209.11761	4.4
213.02776	1.4
223.13383	7.7
235.08208	2.0
247.20599	1.7
253.09258	21.8
255.23335	4.2
275.20123	6.6
277.21710	10.4
289.18069	3.9
291.19656	100.0
292.19922	8.6
293.21216	98.5
294.21552	11.7
295.22754	9.6
298.94885	1.5
307.19186	2.7
309.20743	11.2
316.37198	1.5
397.13388	3.2
527.28406	1.7
543.27759	3.3
566.57245	1.6
821.46118	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	5.5
61.98708	100.0
63.99111	9.0
71.01221	8.0
71.51369	8.6
72.67062	4.6
83.04896	8.3
91.36127	5.1
96.95880	5.7
111.07931	4.6
130.64159	5.3
141.18597	4.6
173.78137	6.0
197.11787	6.9
209.11810	34.1
226.85767	5.7
227.12894	11.9
228.53006	6.1
291.19736	7.9
309.20657	22.6
310.21039	5.7
416.34207	5.4
445.20746	6.5
487.34268	8.1
590.21106	5.8
823.42377	16.2
824.43231	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	823.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00477	1.4
59.01251	19.8
66.31465	0.5
69.03329	2.9
69.20670	0.5
69.21714	4.8
71.01254	18.2
71.04914	0.6
72.99191	1.8
73.02826	2.9
78.81297	0.7
78.95803	0.7
81.03352	0.8
83.01278	2.2
83.04887	1.3
85.02829	11.1
85.74605	0.5
87.00764	3.8
89.02320	13.7
95.01272	1.5
95.04910	2.1
97.02841	3.7
97.06467	11.7
101.02332	13.5
111.08035	1.1
113.02336	8.0
113.09592	1.0
119.03398	3.3
123.08038	4.7
125.02354	2.8
125.09619	45.9
126.09948	2.3
127.11166	2.3
129.09149	0.8
137.09622	2.9
143.03400	1.8
155.10681	2.3
161.04431	4.9
163.11188	0.7
165.12781	1.2
169.08615	1.1
171.10191	27.5
172.10428	0.6
177.12869	1.1
179.05553	1.9
181.12300	1.3
183.13904	2.8
185.11755	1.5
187.09686	22.9
188.09972	1.2
193.12222	1.8
195.13853	4.2
197.11775	3.9
201.11252	1.4
209.11728	2.1
211.13338	21.1
212.13713	0.8
221.06616	0.8
221.11774	2.3
223.13359	2.2
227.12904	1.0
228.13315	0.6
229.14409	12.8
230.14616	0.6
235.08220	9.3
239.12840	1.9
247.20689	1.4
249.22330	0.6
253.09271	39.8
254.09590	1.9
255.23280	25.5
256.23553	1.6
273.18689	0.9
275.20279	1.5
277.21719	76.1
278.22052	5.7
291.19708	12.8
292.20248	0.8
293.21228	27.9
294.21829	1.1
295.22800	13.3
296.22925	0.8
309.20715	28.7
310.21179	1.8
311.22290	24.2
311.25909	1.2
312.22696	1.2
327.21771	100.0
328.22141	6.0
397.13309	2.0
545.29138	2.9
547.30743	0.7
563.30640	5.4
567.23022	1.3
585.24237	1.2
587.43250	4.1
823.46967	73.9
824.47186	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	823.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	7.7
61.98688	1.9
61.98967	0.4
64.54461	0.4
69.03341	2.1
70.81002	1.0
71.01251	8.9
72.22385	0.4
72.99158	0.6
73.02813	2.2
75.08784	0.4
78.95749	0.4
80.96365	0.4
83.01255	1.5
83.04890	1.0
84.02032	0.4
85.02821	10.5
86.11102	0.4
87.00768	2.2
89.02315	5.4
94.97936	0.5
95.01274	0.7
95.04894	0.5
97.02827	2.3
97.06454	1.9
99.00752	0.6
99.08046	0.5
101.02320	8.0
102.73210	0.5
105.90979	0.5
111.08052	1.0
113.02310	4.7
119.03366	2.0
119.08517	0.4
120.44583	0.5
125.02270	0.6
125.09630	0.7
127.11169	1.3
133.04939	0.9
137.09605	1.9
143.03410	1.0
145.04977	1.4
155.10710	0.5
157.04971	0.6
161.04472	4.3
169.12262	0.7
171.10175	22.4
172.10509	0.8
179.05486	1.0
181.12299	0.5
183.13841	3.4
185.11952	0.5
193.12338	0.8
195.13867	2.6
197.11777	3.5
199.13380	0.7
201.11232	1.1
209.11728	0.7
211.13338	10.6
212.13591	0.8
221.11768	1.3
223.13292	1.0
229.14412	4.9
235.08194	19.4
236.08513	0.9
239.12694	1.0
253.09258	33.9
254.09647	1.4
275.20154	1.5
277.21707	100.0
277.42633	0.4
278.22055	8.7
291.19705	5.8
293.21231	14.3
294.21207	0.8
295.22794	9.0
296.23178	0.5
309.20685	18.7
310.21045	1.4
311.22256	11.9
312.22720	0.9
327.21750	77.8
328.22037	6.9
486.80591	0.4
513.30493	0.8
545.29688	3.1
546.30225	0.5
548.61047	0.4
563.30975	3.5
587.43433	3.5
588.43799	0.9
823.45697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.5
61.98701	4.7
64.14479	0.5
69.46072	3.1
71.01250	4.3
72.99187	1.1
73.02808	2.0
81.03331	0.9
83.01259	1.2
85.02827	3.0
87.00740	1.0
89.02313	1.6
93.03333	1.5
95.01268	0.7
96.95894	0.7
97.02869	0.7
99.00757	2.1
101.02319	3.0
101.18768	0.5
105.96491	0.5
107.04898	0.5
108.02046	1.7
109.02857	1.5
113.02328	2.9
117.03342	0.7
119.04922	1.3
123.04412	1.1
133.02852	2.0
135.04393	1.7
136.01553	1.8
137.02342	100.0
138.02702	4.0
145.02852	2.4
149.02365	0.6
152.01085	1.5
153.01794	1.0
161.02371	4.7
175.02501	0.6
175.03946	1.1
177.01843	1.7
179.03444	1.6
347.17139	0.7
461.20486	1.6
479.21451	0.9
484.21573	1.1
487.12646	1.2
495.11365	0.9
623.25702	0.9
761.28760	18.7
762.29486	3.1
824.36322	1.2
825.38477	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	825.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	5.3
61.98713	4.9
64.54464	0.8
71.01262	5.9
71.08223	0.6
72.99194	0.7
73.02836	2.6
78.95781	1.3
83.01245	1.4
85.02814	3.1
89.02320	3.4
93.03355	1.4
95.01295	0.9
96.95837	1.3
98.03473	0.7
98.19783	2.1
99.00757	5.7
101.02299	4.2
108.02056	0.8
113.02329	3.2
117.03380	1.2
119.03435	0.6
119.04911	3.1
121.02868	1.0
125.02357	0.9
127.00292	0.9
132.02019	1.0
133.02885	1.8
134.03656	1.6
134.42258	0.6
135.04428	2.4
137.02350	1.5
145.02811	4.6
147.04410	1.6
150.04129	1.2
158.02425	0.7
158.03638	18.9
159.04424	7.8
160.01549	5.3
161.02376	5.0
161.04459	1.0
162.02866	0.6
163.03928	2.8
165.01817	0.9
171.04436	2.8
173.06013	1.2
175.03920	7.4
179.03432	2.3
184.05191	1.1
185.06061	1.5
193.04991	1.7
201.05516	2.1
202.02657	100.0
203.03275	10.2
209.11734	0.8
213.05557	2.7
225.05537	1.1
245.76860	0.7
271.57999	0.6
275.05740	1.1
320.78259	0.7
323.07428	1.1
434.76617	0.7
457.33368	0.7
487.12463	3.9
488.12381	0.9
501.32028	1.5
510.58420	0.7
543.74182	0.7
563.24847	10.1
564.24756	0.8
619.38013	1.2
825.28058	66.4
826.28400	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	825.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.7
60.99179	18.9
61.98701	0.5
68.05318	0.2
71.01252	0.4
71.51795	0.3
78.95781	0.2
79.95621	0.3
80.96397	1.2
84.35976	0.2
87.00755	3.3
88.00282	4.3
88.00853	0.3
88.01093	0.5
88.98682	100.0
89.02319	22.9
89.02912	0.3
89.99022	1.2
149.30405	0.2
152.99503	0.4
195.60934	0.2
223.13368	1.5
225.00679	0.3
255.23456	0.3
293.21429	0.3
295.19278	0.2
321.24237	0.2
323.22260	0.4
824.24396	0.3
825.45337	1.3
826.46198	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	7.2
60.99184	0.8
61.98703	19.1
67.38647	0.6
71.00372	1.0
71.01253	8.8
73.02817	1.5
79.54657	0.7
82.86753	0.7
83.01250	1.2
85.02826	4.2
87.00744	1.2
88.98666	1.4
89.02308	3.5
96.95890	2.0
101.02327	5.0
101.98296	0.8
106.04008	1.8
108.02047	1.3
113.02319	5.6
116.92763	1.9
117.03316	2.9
119.03400	0.8
119.04897	1.4
123.04396	1.2
131.03381	1.1
132.02043	0.8
133.02861	8.1
134.03645	1.3
135.04416	5.9
137.02338	2.1
144.04405	0.8
145.02838	7.9
150.03142	1.4
152.01060	2.0
161.02359	22.8
161.04407	1.3
162.02785	1.4
163.03914	2.0
165.05472	1.3
167.03447	3.4
178.02692	1.0
179.03404	7.7
188.50581	0.7
193.05020	2.1
201.05409	0.9
202.06122	0.9
284.03177	5.0
288.71176	0.8
299.05624	4.0
299.77179	0.8
307.08279	3.1
319.24216	0.8
326.35336	0.7
329.06583	1.5
405.27893	1.2
421.31155	9.2
422.31430	2.1
439.32263	7.2
455.31421	1.0
462.50793	0.8
501.32202	81.1
502.32455	14.1
517.24701	1.3
525.13202	0.8
543.33081	3.0
562.59198	0.9
652.21606	5.4
705.39020	2.1
706.63226	0.9
731.25659	6.0
825.42847	100.0
826.43213	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	5.1
59.10921	0.9
61.98700	1.6
67.76037	1.0
71.01230	4.3
71.04897	1.6
72.24201	1.1
72.99177	0.9
73.02827	1.1
83.01249	1.0
83.04876	1.1
85.02839	1.4
89.02299	2.3
101.02324	2.8
106.69296	0.9
113.02330	2.1
116.92755	8.5
117.92779	1.3
119.03375	1.0
145.02870	1.3
161.02344	3.1
179.03424	2.5
421.31015	2.1
439.32159	4.4
441.30353	2.1
457.32867	4.3
483.31155	19.7
484.31485	3.8
488.00555	1.3
501.32227	56.1
502.32474	10.3
543.33307	4.4
663.37616	1.7
825.42834	100.0
826.43158	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	825.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	20.2
61.98703	0.9
65.05489	0.8
69.03324	2.1
69.08822	0.7
71.01262	4.0
71.04877	1.5
71.52300	0.9
73.02839	0.8
74.32217	0.7
80.96373	0.8
83.01244	0.8
83.04917	0.9
87.00744	0.9
89.02295	1.9
97.06464	0.8
101.02330	2.7
111.08010	1.0
113.02328	1.9
120.16144	0.7
125.09630	1.5
140.80223	0.8
149.09662	0.7
160.08804	0.8
161.04425	1.6
165.12726	1.3
167.10735	2.8
177.12650	1.0
179.14352	4.0
181.12242	1.3
195.13847	9.2
197.11736	6.7
205.12254	9.4
223.13348	100.0
224.13713	5.2
235.08208	3.2
253.09247	13.4
255.23308	0.9
273.18744	1.1
291.19647	10.6
294.21487	2.1
295.21823	1.1
305.21149	0.8
323.22263	74.2
324.22586	7.3
369.89905	0.8
415.63455	0.9
441.21384	1.0
459.22339	13.8
460.22882	1.5
468.61002	0.8
559.31226	1.7
681.47772	0.9
687.02618	0.8
715.89508	0.9
765.44275	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	826.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.1
61.73270	0.1
69.47964	0.6
69.48401	0.4
71.01254	2.6
72.99197	0.3
73.02819	2.2
75.00771	0.2
83.01281	0.2
85.02822	1.6
87.00759	0.2
89.02312	2.2
92.58400	0.1
95.01273	0.4
99.00755	7.1
101.02318	1.1
113.02328	2.9
118.02853	0.9
119.03351	0.2
121.10104	0.4
125.02345	0.1
127.74332	0.1
131.03568	1.3
132.04449	3.4
149.04459	0.9
159.03166	13.0
160.03947	100.0
161.02351	0.2
161.04305	5.9
165.09134	0.5
191.05482	0.9
204.02974	1.7
233.06599	0.2
237.11215	0.2
297.13321	0.2
304.08408	0.2
307.13895	0.2
322.09424	0.7
322.12872	0.1
322.17178	0.1
329.22940	0.1
339.14642	0.2
345.15555	0.2
351.05435	0.3
459.18579	0.9
470.18518	0.7
477.19809	2.6
478.20068	0.2
519.20508	0.2
621.23639	0.2
727.95740	0.2
782.28754	9.2
783.29004	1.8
826.27728	14.3
827.28076	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	827.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	5.2
60.99190	0.7
61.98706	4.1
66.32996	0.5
67.40755	0.5
69.62352	3.7
71.01257	6.7
72.99191	1.2
73.02816	2.4
79.95693	0.6
83.01270	1.4
83.05536	0.5
85.02818	4.1
87.00763	1.0
88.98675	3.1
89.02319	3.6
93.03324	0.8
95.01270	0.8
96.95856	0.7
99.00774	2.1
101.02323	3.8
108.27966	0.5
111.00723	0.7
113.02328	3.5
114.02565	0.5
117.03384	1.1
119.03389	1.0
119.04920	1.2
121.02843	0.6
123.04459	0.5
133.01302	0.7
133.02861	3.5
135.04459	3.5
136.04663	0.6
137.02309	1.1
143.03413	0.7
145.02846	4.6
147.04384	1.5
149.02348	1.4
150.03146	0.9
153.05409	0.6
157.06551	0.7
158.03645	19.6
159.04425	8.0
160.01588	0.6
160.04799	0.8
161.02345	7.1
161.04512	1.7
163.03864	1.1
171.04449	2.8
173.02298	0.9
173.05960	1.0
175.03915	1.2
177.01833	1.9
178.02475	0.5
179.03409	4.0
179.05624	0.7
183.04424	0.8
184.05247	1.1
185.06061	1.2
201.05484	1.8
202.02660	100.0
203.03255	10.1
213.05513	2.5
221.06642	0.8
235.42033	0.5
253.09250	0.5
275.05563	0.7
315.17651	0.6
323.09818	0.8
333.85977	0.5
333.96320	0.5
347.17227	0.9
383.88348	0.6
441.21231	0.6
459.19049	0.9
469.13553	0.6
479.21289	1.5
503.33783	5.1
621.17487	0.7
623.20087	0.8
719.25623	0.7
827.29712	59.1
828.30176	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	827.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	0.7
59.01253	15.6
61.98704	6.0
69.03301	3.3
71.01250	13.4
71.04887	1.0
71.51408	0.3
72.99189	1.2
73.02816	2.1
74.39188	0.2
78.27082	0.3
81.03329	1.0
83.01263	1.2
83.04920	0.5
85.02819	2.9
85.99956	0.2
87.00753	2.7
89.02318	11.9
93.03333	0.4
95.01244	0.8
95.04887	0.5
97.02835	2.0
97.06493	0.5
99.00745	0.9
101.02326	9.6
109.02861	0.4
109.06457	1.0
111.00740	0.4
111.04372	0.4
113.02329	5.4
119.03394	3.1
123.08027	0.3
125.02336	3.4
125.09618	0.4
131.03358	0.5
133.04994	0.4
135.11697	0.3
139.03847	0.3
141.01845	0.3
143.03404	1.7
149.04446	0.5
149.09618	0.7
153.09140	0.3
161.02338	0.5
161.04459	2.0
167.10669	3.7
177.12749	0.5
179.03452	0.3
179.03976	0.4
179.05540	3.4
179.10738	1.5
179.14317	3.4
180.14607	0.3
187.11105	0.3
190.54996	0.2
195.13838	12.4
196.14284	0.6
205.12280	11.3
206.12598	0.8
209.11758	0.5
217.07140	0.4
221.06557	1.2
223.13345	100.0
224.13683	6.4
235.08209	3.4
253.09219	0.4
257.96487	0.3
259.08267	0.5
263.07767	0.7
265.14481	0.5
287.07626	1.0
305.08722	1.2
316.00000	0.2
323.09885	0.8
379.12393	3.0
397.13483	25.8
398.13916	1.7
411.25189	0.4
415.14594	5.7
416.15268	0.4
429.26456	1.3
490.73932	0.4
511.22003	0.3
603.26575	7.6
604.26654	1.3
621.27606	11.3
622.27783	1.4
653.11639	0.4
665.40521	0.3
809.39520	2.6
810.39709	0.8
827.41339	1.5
828.41541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	0.5
59.01253	14.5
61.98702	3.5
65.03877	0.2
68.99681	0.2
69.03297	3.2
70.26628	0.2
70.26984	0.6
71.01254	13.6
71.04871	0.7
72.99182	1.0
73.02832	2.0
75.00736	0.4
81.03322	0.9
83.01258	1.5
83.04895	0.4
85.02825	2.7
85.06456	0.5
85.37291	0.3
87.00746	3.1
89.02318	10.4
93.03339	0.4
95.01251	1.1
95.04932	0.5
96.95863	0.3
97.02832	1.7
97.06400	0.3
99.00752	0.9
101.02324	9.8
102.02651	0.3
109.02815	0.3
109.06491	0.7
111.00794	0.2
111.04353	0.2
111.08017	0.3
113.02326	5.4
114.02654	0.2
115.03873	0.3
119.03388	3.1
124.01625	0.3
125.02340	3.7
125.09611	0.6
131.03384	0.6
141.01826	0.4
142.02592	0.2
143.03409	1.7
145.04947	0.3
145.48271	0.2
149.04456	0.4
149.09639	0.9
153.09224	0.3
157.48915	0.2
161.04448	2.3
167.10687	4.0
177.12724	0.7
179.05537	4.0
179.10719	1.9
179.14323	3.4
195.13831	11.4
196.14185	0.7
199.05980	0.3
205.12282	10.1
206.12637	0.7
217.07141	0.4
221.06577	1.4
223.13348	100.0
224.13666	7.7
235.08176	2.9
247.13461	0.3
253.09398	0.5
263.07617	0.3
263.38632	0.2
265.14404	0.5
287.07703	0.7
305.08844	1.0
323.09766	0.6
349.25107	0.2
379.12393	3.0
380.12650	0.4
397.13486	25.6
398.13831	2.3
411.25366	0.7
415.14569	6.2
416.14740	0.6
427.19910	0.3
429.26215	1.6
434.87976	0.2
453.69058	0.2
487.34851	0.3
603.26575	6.8
604.27112	1.4
621.27576	10.6
622.28284	2.2
757.36401	0.3
783.38336	0.4
809.39618	2.4
810.40033	0.6
827.40442	1.7
828.42236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	0.5
58.36992	0.1
59.01250	6.4
61.98704	0.7
64.33405	0.1
68.99662	0.2
69.03335	0.2
71.01253	8.5
71.04910	0.3
72.99165	0.7
73.02821	1.2
75.00741	0.4
83.01261	1.1
83.04866	0.1
85.02822	4.2
85.99966	0.3
87.00755	1.1
88.98688	0.2
89.02316	5.3
93.71696	0.1
94.63857	0.1
95.01259	1.6
97.02819	0.2
99.00751	0.5
101.02324	10.7
102.02655	0.2
103.00159	0.2
109.02866	0.2
113.02332	11.5
114.02657	0.2
118.26502	0.1
119.03388	4.9
119.04823	0.3
120.03680	0.1
121.02868	0.2
123.04370	0.2
125.02378	0.3
131.03403	1.2
132.02090	0.2
133.02835	1.6
134.03619	0.1
135.04414	1.7
137.02332	0.6
139.00294	0.2
143.03397	1.3
145.02834	0.4
149.02365	0.4
150.03116	1.1
159.02890	0.2
160.01553	0.2
161.02393	3.4
161.04465	8.0
162.02705	0.2
163.03896	0.3
164.04585	0.2
165.01840	0.3
165.05540	0.8
166.02605	0.2
167.03352	0.2
175.03877	0.2
177.01865	0.3
179.03418	1.5
179.05522	2.1
180.04102	0.2
181.04977	0.3
195.06537	0.6
221.06596	2.5
229.19429	0.2
263.07697	0.6
323.09839	0.2
325.19437	0.2
357.25760	0.3
359.27512	0.2
363.26721	0.2
373.24918	0.2
377.28369	0.2
379.30109	0.6
387.26996	0.3
388.12277	0.2
389.28470	0.5
391.30042	0.5
393.31650	0.4
401.28333	0.6
402.28891	0.2
403.29868	0.3
407.29620	1.5
408.29922	0.2
409.31213	2.4
410.31488	0.4
417.28006	0.5
419.29480	0.8
421.31171	2.9
422.31772	0.3
425.30713	0.9
427.32639	0.2
435.28897	0.2
437.30475	0.4
439.32242	0.8
441.33731	7.6
442.34058	1.0
453.29886	0.8
455.31982	0.2
457.33304	3.5
457.39682	0.2
458.33353	0.6
467.31824	0.2
473.32709	4.9
474.33118	0.6
485.32697	4.4
486.33139	0.8
499.34235	0.2
503.33774	100.0
504.34128	14.3
517.35590	0.7
525.32166	0.3
545.34839	17.7
546.35181	2.5
575.35864	1.9
576.36182	0.3
587.35864	0.5
603.39038	0.2
605.37292	0.2
665.38715	0.6
707.39899	0.6
827.45392	0.7
828.44238	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00453	0.4
59.00953	0.3
59.01250	5.5
61.98677	0.2
69.03307	0.1
71.01252	6.1
71.04884	1.2
71.28313	0.2
72.01583	0.2
72.27102	0.1
72.99172	0.5
73.02825	0.7
78.95779	0.2
80.15672	0.1
83.01254	1.1
83.04880	0.1
83.05979	0.1
85.02820	2.5
85.99998	0.2
87.00742	0.7
89.02318	4.0
93.03330	0.1
95.01247	0.8
96.95873	0.2
99.00741	0.3
101.02319	9.6
102.02629	0.2
102.50549	0.2
106.79848	0.1
108.01966	0.2
113.02328	6.7
114.02637	0.2
116.92710	0.1
119.03398	4.5
119.04812	0.2
125.02356	0.1
131.03400	0.8
133.02831	0.4
135.04369	0.2
137.02318	0.2
143.03366	1.0
145.02792	0.2
150.03192	0.2
159.02887	0.2
161.02464	0.8
161.04465	4.5
165.05447	0.2
179.03369	0.2
179.05528	1.1
192.94757	0.2
220.92627	0.1
221.06593	1.6
263.07614	0.1
305.13379	0.1
323.09741	0.4
349.55991	0.2
367.26328	0.4
377.28677	0.2
387.28854	0.5
391.30276	0.2
407.29568	0.3
416.68277	0.2
419.29471	0.4
421.31052	0.8
425.30563	0.2
437.30640	0.2
439.32303	0.3
443.31693	1.3
444.31918	0.2
453.30099	0.6
459.35046	0.9
465.30423	0.2
471.31097	0.3
485.32715	10.9
486.32922	1.6
499.33936	0.2
503.33762	100.0
504.34122	14.5
517.35388	0.3
527.31635	0.1
545.34802	10.9
546.35272	1.8
575.35748	0.8
587.35651	0.3
605.36804	0.2
609.95764	0.1
665.38843	0.5
666.39459	0.3
707.40234	0.9
720.27698	0.2
749.40778	0.3
827.44720	1.1
828.44202	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28164	0.4
59.01245	2.3
60.29784	0.4
69.34290	1.0
69.34695	2.2
71.01247	3.0
72.99185	1.0
73.02821	1.0
85.02820	1.6
89.02330	0.6
99.00753	1.0
101.02333	2.6
113.02341	1.8
118.02901	0.9
119.03330	0.5
131.03625	1.5
132.04439	3.8
150.02000	0.4
159.03168	14.1
160.03946	100.0
161.04305	4.5
184.86523	0.4
192.38977	0.5
192.40579	0.6
204.02927	1.7
233.57364	0.5
256.84528	0.4
318.94479	0.5
322.09436	0.6
347.17114	0.9
461.19983	3.3
479.21350	4.2
480.21866	0.6
508.07193	0.5
600.82104	0.4
762.78094	0.4
784.30298	12.9
785.30493	2.2
828.29370	16.6
829.29437	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	829.278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	2.3
62.61034	1.0
68.48826	1.2
71.01253	1.9
71.52104	1.5
92.11953	1.0
124.89940	1.2
135.04411	1.7
146.03650	37.2
161.04637	1.6
161.05962	12.3
164.04700	25.5
179.07057	100.0
180.07391	5.3
213.13286	1.2
269.10287	3.0
292.45602	1.2
397.64578	1.2
401.14398	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	829.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00466	2.4
59.01252	39.0
60.01566	0.6
60.63898	0.5
61.98705	27.5
64.40762	0.6
67.01785	0.6
69.03314	5.1
69.26899	1.9
69.27311	3.4
71.01254	30.2
71.04913	1.2
72.99176	2.7
73.02824	5.4
75.00747	1.7
80.02542	1.2
81.03333	4.4
83.01248	3.1
83.04898	4.5
84.10606	0.5
85.02824	9.0
87.00747	7.1
89.02317	25.0
91.03896	0.5
93.03342	1.6
95.01254	3.1
95.04910	2.6
97.02832	15.0
97.06487	1.3
99.00757	2.8
101.02328	19.6
106.04128	0.8
107.04900	2.0
109.06479	38.2
110.03613	2.3
110.06813	1.2
111.00738	0.6
111.04425	1.0
111.08012	0.8
113.02338	11.3
119.03407	6.5
121.02856	0.7
121.06486	3.0
123.04388	1.3
125.02330	7.1
125.09596	2.2
131.03363	1.4
133.02815	1.3
134.03632	6.4
135.04381	1.8
135.08028	5.6
136.05211	2.8
139.03870	0.6
141.01782	1.4
142.02640	3.3
143.03406	3.5
145.06491	0.6
145.10184	0.9
149.04527	0.8
149.05963	1.0
149.09659	1.2
160.01563	1.0
161.02357	1.9
161.04443	4.1
161.09622	2.6
163.11198	21.1
164.11539	1.0
167.10645	2.8
171.10191	1.2
175.03970	0.9
177.12781	1.1
179.03436	2.4
179.05539	6.9
179.10638	1.9
179.14311	3.1
181.12274	6.8
185.11763	2.4
187.07513	1.6
187.09741	0.7
189.09155	1.8
191.83562	0.6
193.04994	9.7
195.13864	9.3
197.11800	0.6
201.05492	1.6
205.12338	7.2
206.12651	0.7
207.10214	100.0
208.10591	5.5
209.11790	5.0
215.06979	0.9
221.06593	4.9
221.11652	0.6
223.11067	1.2
223.13362	50.6
224.13657	3.5
225.11279	59.3
226.11620	3.4
229.08598	1.2
230.09401	2.8
233.15411	0.9
235.08205	5.1
243.12331	2.3
253.09357	1.3
259.13547	0.7
263.07733	2.2
281.13879	1.2
287.07806	0.6
287.16525	0.9
290.97424	0.8
299.14935	2.1
305.08743	1.6
341.24973	1.1
351.23352	2.5
369.20410	0.7
369.24533	1.2
377.21143	1.0
379.12411	2.3
385.23718	1.9
387.21646	1.2
395.22217	6.0
396.22656	0.8
397.13464	26.3
398.13718	2.1
403.24857	3.3
413.23337	15.8
414.23807	2.3
415.14539	8.8
416.14838	1.0
431.24408	9.5
432.24475	1.2
461.20508	1.1
503.33972	1.0
505.28128	1.2
582.12158	0.6
603.26660	0.7
605.24329	6.8
621.27679	2.4
623.25610	10.8
624.25604	1.8
649.31897	0.9
672.23743	0.6
783.37909	4.0
784.37311	0.9
793.36371	6.6
794.36554	1.5
811.37671	33.1
812.37592	7.6
829.38635	55.8
830.38849	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	829.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.9
60.98703	0.4
60.99178	17.4
61.98702	54.3
70.09071	0.3
71.01254	0.7
71.52300	0.4
72.99192	0.5
77.35048	0.3
78.95762	0.3
83.04893	0.3
84.82532	0.3
87.00780	1.8
88.00288	2.7
88.98679	100.0
89.02316	6.7
89.99011	0.9
99.57077	0.3
101.02317	0.6
107.84026	0.3
120.88283	0.4
152.99472	0.5
161.02299	0.5
171.10095	1.0
179.10699	0.5
197.11803	0.5
209.11761	2.0
221.11673	1.0
222.12143	0.3
223.09720	0.8
223.13052	0.4
225.11200	0.4
227.12732	0.5
253.09164	0.7
269.22446	0.3
291.19617	0.6
293.20978	1.0
309.20499	1.1
365.40421	0.4
441.17130	0.4
456.03790	0.3
493.41510	0.4
566.43658	0.4
699.56256	0.4
751.39673	0.5
769.39685	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.9
60.98703	0.4
60.99178	17.4
61.98702	54.3
70.09071	0.3
71.01254	0.7
71.52300	0.4
72.99192	0.5
77.35048	0.3
78.95762	0.3
83.04893	0.3
84.82532	0.3
87.00780	1.8
88.00288	2.7
88.98679	100.0
89.02316	6.7
89.99011	0.9
99.57077	0.3
101.02317	0.6
107.84026	0.3
120.88283	0.4
152.99472	0.5
161.02299	0.5
171.10095	1.0
179.10699	0.5
197.11803	0.5
209.11761	2.0
221.11673	1.0
222.12143	0.3
223.09720	0.8
223.13052	0.4
225.11200	0.4
227.12732	0.5
253.09164	0.7
269.22446	0.3
291.19617	0.6
293.20978	1.0
309.20499	1.1
365.40421	0.4
441.17130	0.4
456.03790	0.3
493.41510	0.4
566.43658	0.4
699.56256	0.4
751.39673	0.5
769.39685	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	14.7
61.98379	4.3
61.98704	82.2
67.29160	2.1
69.03329	5.1
70.04189	2.1
70.84698	2.4
70.85017	4.3
71.01254	9.6
72.99183	8.6
73.02825	3.1
75.00759	2.4
83.04903	2.2
85.02828	9.5
87.00738	3.7
88.98656	2.9
89.02313	5.0
89.03403	2.2
96.95882	4.0
97.02863	2.7
99.00714	2.3
101.02324	8.7
113.02332	7.2
115.58873	2.0
116.92728	3.5
125.09595	2.5
133.02798	2.8
135.04503	2.5
137.09660	3.7
161.02399	5.9
161.04462	4.7
167.10677	3.1
171.10199	25.4
179.03421	6.6
179.10631	2.2
179.14282	3.7
195.13821	10.4
201.11208	2.4
205.12273	7.1
209.11781	9.5
211.13376	9.5
223.13350	100.0
224.13687	6.2
225.11215	2.5
229.14294	5.2
235.08220	12.4
253.09314	20.8
291.19626	3.9
293.21176	4.7
307.08179	2.9
309.20755	11.2
327.21747	79.6
328.22116	9.9
459.22467	24.7
460.22586	3.0
533.35040	5.2
545.29779	5.8
563.30786	10.0
769.43817	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	831.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00477	3.1
59.01254	54.5
61.98690	8.5
69.03332	3.5
71.01259	44.3
72.99169	4.6
73.02836	8.1
78.95843	1.6
81.03329	8.4
81.53824	1.5
83.01265	5.6
83.04893	8.2
85.02820	14.5
87.00764	7.2
89.02321	27.0
93.03350	5.8
95.01256	5.4
95.04906	3.8
97.02827	15.0
97.06485	5.3
98.03158	2.0
99.00758	6.6
101.02323	21.8
107.04898	3.8
108.02056	2.8
109.02863	4.2
109.06482	38.0
110.06860	2.0
111.04425	2.4
111.08089	2.0
113.02354	15.1
117.45770	1.6
119.03397	6.2
119.04905	2.1
121.02842	2.9
121.06469	3.5
123.04406	4.0
123.08068	4.1
125.02358	7.1
125.09609	28.8
126.54736	1.6
133.02849	13.9
134.03650	3.7
135.04417	16.7
135.08003	8.4
136.05142	2.0
137.02316	6.6
137.06067	2.1
139.03952	2.7
141.01776	3.1
142.02650	3.6
143.03384	3.5
150.03052	3.1
151.03908	3.2
161.02359	19.5
161.04486	5.4
161.09647	2.8
163.11212	23.9
165.12717	1.8
171.10210	2.0
175.11192	4.4
177.01836	10.0
178.02634	3.4
179.03436	17.2
179.05492	4.7
179.10654	2.6
181.12277	7.9
185.11752	4.0
187.09673	13.7
189.05460	2.0
189.09114	2.5
191.10777	5.1
193.12387	2.4
207.10217	90.1
208.10573	6.3
209.11781	27.1
219.10323	3.3
219.13753	2.1
221.06610	6.7
223.09787	4.4
223.13368	5.0
225.11310	43.8
226.11627	2.1
227.12857	4.8
235.08188	3.1
235.13329	2.2
237.11307	8.1
237.14934	1.9
245.11858	4.4
247.09587	2.9
261.11102	2.0
263.12903	7.2
283.20700	1.9
325.21603	2.5
327.10452	2.2
327.19473	2.1
345.20532	2.2
347.52948	1.8
353.17392	2.7
353.21341	2.1
363.21906	2.0
369.20648	3.7
371.18530	5.3
371.22610	3.0
387.21796	4.9
389.19550	10.3
397.13480	14.4
397.20193	7.2
405.22940	4.3
415.14575	5.2
415.21225	17.4
433.22269	7.0
487.14432	2.5
569.51807	2.2
605.24066	2.1
623.25751	7.6
669.26489	2.5
692.12695	2.0
734.24274	2.1
759.34540	3.2
767.25482	6.4
769.33014	16.8
770.33600	5.1
785.36078	7.6
786.35791	2.6
787.34137	32.3
788.34491	5.0
795.34869	10.6
796.34760	3.3
799.27576	8.4
800.28693	5.6
813.35577	100.0
814.35889	26.0
831.36493	43.3
832.36957	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	831.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00449	2.9
59.01249	53.3
61.98700	6.6
69.03325	1.7
71.01252	66.1
71.52299	1.1
72.01572	1.7
72.99186	12.2
73.02815	31.8
75.00733	1.2
77.38385	1.2
83.01251	4.4
83.60129	1.1
85.02824	32.1
87.00736	3.0
88.98721	1.1
89.02315	65.4
90.02688	1.4
95.01266	11.6
96.95870	3.2
97.02814	3.0
99.00756	100.0
100.01051	2.0
101.02325	23.0
108.02039	1.9
109.02885	0.9
109.86676	1.1
111.00755	1.4
113.02327	57.5
117.03332	2.5
119.03360	4.1
119.04892	2.9
121.02849	2.7
121.09283	1.5
121.10117	19.3
123.04397	2.4
125.02300	2.9
131.03406	13.7
133.02838	9.3
135.04454	7.9
137.02303	3.9
143.03381	2.9
145.02847	7.6
146.03195	1.2
149.04457	45.8
151.03893	1.6
160.01550	1.2
161.02370	21.3
161.04445	20.1
163.03877	2.3
163.11240	1.9
165.01801	1.3
165.05479	1.1
165.09117	41.6
166.09471	1.4
172.05116	1.2
175.03903	1.7
177.01807	1.8
177.09129	1.1
179.03354	4.7
179.05479	1.2
187.07578	4.0
191.05536	25.2
193.12178	1.1
207.10201	10.5
209.11758	1.9
215.07106	2.2
225.11288	1.6
233.06635	11.7
237.11296	13.5
257.08173	1.5
293.08722	3.3
297.13422	13.1
327.14548	1.5
339.14447	6.2
345.15509	2.9
381.15479	1.4
441.12070	1.2
459.18713	45.1
460.18887	4.7
477.19821	24.8
478.19653	2.2
479.21161	2.1
493.20892	3.0
549.23157	3.5
826.00391	1.2
831.30713	2.5
864.27582	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00477	0.6
59.01250	16.2
61.98703	8.9
69.03324	1.9
70.49188	0.8
71.01255	14.6
71.04894	0.6
72.99184	1.3
73.02818	2.3
75.00728	0.5
76.59860	0.3
80.02569	1.3
81.03320	2.1
83.01246	1.5
83.04896	6.1
84.02039	1.0
85.02824	3.4
85.06441	0.3
87.00750	3.4
89.02317	12.5
93.03363	0.6
95.01280	1.3
95.04909	1.1
96.95863	0.3
97.02825	1.9
97.06459	0.3
99.00762	1.0
99.04362	0.3
101.02323	12.3
102.02630	0.3
107.04930	0.3
109.02859	0.3
109.06487	0.5
111.00785	0.4
111.04385	0.6
113.02334	6.7
119.03407	3.6
121.02863	0.7
123.04433	0.4
125.02335	4.6
125.05945	0.5
125.09641	0.3
127.03901	0.4
131.03397	0.5
133.02892	1.7
133.04942	0.3
134.03636	0.4
135.04449	1.9
135.08095	0.7
135.11713	0.3
137.02342	0.8
138.98918	0.3
139.03894	0.6
141.01819	0.4
143.03416	2.0
145.04837	0.3
149.04419	0.7
149.09619	0.4
150.03102	0.4
151.03969	0.3
161.02365	2.1
161.04436	2.6
163.11197	4.3
165.12782	2.6
167.03352	0.3
167.10712	1.9
171.10222	0.6
175.03899	0.4
177.01836	0.9
177.12691	0.3
179.03424	2.9
179.05544	3.6
179.10632	0.9
179.14355	1.6
181.12282	0.6
187.16467	0.3
191.10716	1.0
195.13850	5.8
196.14273	0.3
203.07104	0.3
205.12288	5.0
207.10216	0.5
209.11771	100.0
210.12090	4.7
217.07103	0.5
221.06606	1.8
223.13347	54.1
224.13693	3.6
224.91634	0.3
225.11201	0.5
227.12839	13.5
228.13158	0.9
235.08195	3.2
253.09326	0.8
261.14938	0.8
263.07736	0.7
265.14563	0.3
287.07693	1.1
300.27933	0.3
305.08838	1.6
323.09839	0.8
379.12436	4.5
380.12918	0.3
397.13483	32.0
398.13873	2.4
415.14557	8.9
415.24176	0.6
416.15192	0.5
487.14111	0.5
589.25031	0.6
603.26556	2.0
607.26355	1.8
621.27484	2.0
691.22809	0.4
795.38092	1.2
796.38477	0.5
813.38330	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00450	0.8
59.01253	19.1
61.98704	4.0
65.03809	0.3
65.23902	0.3
65.48718	0.3
69.03316	3.0
71.01256	17.0
71.04885	0.8
72.99169	1.1
73.02809	2.4
75.00722	0.4
78.95789	0.4
80.02541	1.2
81.03321	2.2
83.01256	1.6
83.04900	5.9
84.02020	0.8
85.02828	4.7
87.00748	3.1
89.02321	13.5
93.03339	0.7
95.01266	1.7
95.04896	1.1
97.02803	2.3
97.06476	0.5
99.00765	0.8
101.02324	13.1
102.02708	0.4
109.06451	1.0
111.00711	0.4
111.04366	0.4
111.08030	0.5
113.02332	7.9
119.03388	3.7
119.04860	0.4
121.02844	0.5
123.04424	0.4
125.02330	4.8
125.05967	0.7
125.09641	0.4
131.03407	0.9
133.02861	2.1
133.04964	0.6
134.03532	0.5
135.04411	1.2
135.08041	0.7
137.02325	0.7
139.00209	0.4
139.03879	1.0
143.03389	2.5
149.09648	0.6
150.03107	0.4
151.03990	0.5
161.02354	1.3
161.04500	3.7
163.11186	4.4
165.12779	3.3
167.10713	2.6
171.10226	0.6
177.01833	0.7
178.02515	0.4
179.03477	1.6
179.05530	4.4
179.10718	0.9
179.14355	2.3
180.14778	0.4
181.12286	0.7
191.10703	0.9
195.13844	8.1
197.01872	0.3
205.12271	7.5
206.12639	0.5
209.11771	100.0
210.12109	5.6
217.07098	0.7
221.06523	1.7
223.13351	70.8
224.13669	4.4
225.11208	0.8
227.12839	15.2
228.13171	0.8
235.08182	4.1
251.12845	0.7
253.09178	0.9
261.14886	1.1
263.07535	0.7
265.14288	0.4
272.01495	0.4
287.07788	1.0
305.08823	1.6
318.63779	0.4
323.09830	1.0
330.25183	0.4
379.12448	4.8
379.26364	0.4
397.13483	36.6
398.13965	2.8
415.14590	10.1
415.24683	0.4
416.14767	0.6
433.25958	0.5
459.22128	0.4
603.26569	2.8
604.27142	0.4
607.25873	1.1
621.27722	6.7
622.27295	0.7
795.38116	1.0
813.38562	1.3
831.37885	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.1
61.98704	100.0
62.98397	0.1
62.99120	0.1
71.01254	0.1
84.41055	0.1
84.86892	0.1
98.19779	0.2
113.74689	0.1
115.69941	0.1
135.04469	0.1
145.32315	0.1
161.02322	0.1
229.31931	0.1
238.39441	0.1
312.23120	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	833.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00433	1.1
58.27955	0.8
59.01249	26.0
61.98703	4.9
69.03308	1.1
71.01255	32.1
71.51215	1.9
72.01577	1.9
72.99175	4.9
73.02818	9.3
75.00743	1.4
78.95753	0.9
81.03315	1.1
83.01241	4.0
83.01682	0.8
83.04884	1.2
85.02822	26.6
86.03146	1.5
87.00721	2.6
89.02314	19.5
90.02622	1.9
93.03310	2.7
95.01263	9.4
96.95857	2.5
97.02808	2.1
99.00755	25.4
100.01066	3.3
101.01189	0.9
101.02313	8.9
108.02027	1.6
109.02853	2.2
109.06466	2.3
113.02332	43.0
114.02630	3.6
116.92760	1.1
117.03334	1.2
119.03352	2.5
119.04868	2.7
120.98403	0.8
121.02755	1.4
121.10125	4.5
122.80250	0.9
123.04387	3.1
125.02287	1.8
131.03360	4.0
132.02051	2.9
133.02849	47.2
134.03529	4.1
134.05931	1.8
135.03423	1.6
135.04410	25.7
137.02335	5.7
139.00195	1.4
143.03378	2.7
145.02769	3.1
146.03583	2.0
147.04356	2.1
149.02348	1.2
149.04419	8.4
149.05754	1.5
150.04701	1.5
151.03813	1.8
152.01013	4.7
159.04318	4.0
160.01544	2.3
160.03946	1.3
160.05164	3.3
161.02353	100.0
161.04311	8.4
162.02698	4.3
162.04785	1.3
163.03874	2.2
163.11186	2.1
165.09129	9.6
166.09367	4.3
167.03365	3.5
172.05231	2.1
173.06018	4.3
175.03835	3.7
175.07428	1.2
177.01784	1.3
179.03410	21.7
179.05011	1.8
180.03746	2.0
181.04988	1.0
186.06714	1.2
187.03920	6.6
187.07475	2.4
190.04921	1.4
191.05510	5.6
192.05836	1.2
197.04459	1.1
201.05516	5.0
202.06284	18.7
207.10191	8.9
209.10204	1.0
209.11784	10.2
211.13310	2.6
215.07120	1.5
225.11247	5.7
227.12764	1.7
229.09863	4.7
231.10110	2.0
233.04303	1.3
237.11282	2.5
238.11546	1.8
241.09697	3.1
249.11063	1.3
251.05600	2.5
283.10803	1.7
283.13461	13.0
284.13818	1.6
293.08987	1.3
294.09598	1.0
297.13367	2.1
298.13678	1.5
299.05542	0.9
299.16415	1.5
301.14383	4.6
303.42712	1.0
305.09250	1.2
309.15057	5.6
315.13217	2.1
327.16016	13.9
328.16336	1.5
339.14362	2.1
345.17068	4.7
346.17200	1.0
375.20169	1.4
397.13351	3.0
415.14270	1.5
459.18951	4.2
460.18927	5.8
461.19293	2.9
477.19376	2.8
478.19778	3.4
479.20572	1.6
503.33737	1.6
525.22723	1.3
592.23474	1.4
623.24500	1.7
653.27588	1.4
665.23517	1.1
671.29309	21.9
672.29474	4.5
710.26093	1.3
721.23322	1.1
769.27246	4.3
801.29321	4.4
815.35345	1.9
833.32178	81.9
834.32635	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	833.324
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00453	1.0
59.01250	13.6
61.40154	0.9
61.98672	2.5
69.03291	2.2
71.00909	1.5
71.01252	24.7
72.99181	10.4
73.02814	10.6
83.01255	2.9
85.02829	19.9
87.00726	1.7
89.02309	8.0
95.01267	6.8
97.02804	3.0
99.00703	2.7
101.02328	11.3
108.02006	1.6
112.01532	1.6
113.02331	33.5
119.04868	1.1
121.02787	2.3
123.04398	3.0
126.97894	1.1
132.02049	3.0
133.02856	49.1
134.03557	3.6
134.05957	2.1
135.03609	1.5
135.04419	15.2
136.04765	1.6
137.02278	4.1
146.03587	2.2
146.55855	1.1
156.02025	1.1
159.04395	2.6
160.05122	4.1
161.02353	100.0
161.04468	4.7
162.02736	5.2
163.03882	1.7
165.01773	2.5
167.03362	3.9
173.06032	2.2
174.06786	1.8
175.03915	1.7
179.02106	1.0
179.03436	11.8
185.11696	1.3
187.03877	6.5
190.05009	7.4
198.09094	3.6
201.05420	3.5
202.04588	1.3
202.06288	17.0
207.10129	2.5
209.11693	2.9
211.13239	3.0
225.06523	1.3
225.11211	2.5
226.07281	3.4
229.09692	3.6
241.09792	36.6
242.10040	3.2
283.10742	4.1
283.13293	15.9
301.14468	9.0
309.14938	7.6
315.13495	63.4
316.13800	6.4
327.15991	11.6
329.16077	2.1
337.11832	3.5
345.16809	3.8
347.16876	4.6
363.18073	2.4
461.20285	59.8
462.20248	3.8
479.21378	12.8
480.21634	1.2
517.18262	25.2
518.18256	4.9
645.94489	1.2
671.29199	71.2
672.29700	11.0
833.31940	51.5
834.32416	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	833.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	1.4
59.00953	1.9
59.01251	34.6
61.98685	0.8
69.03330	2.4
71.01254	24.7
71.04900	0.9
72.99176	2.6
73.02827	4.0
80.02538	2.4
81.03326	5.9
83.01247	2.7
83.04893	12.1
84.02046	1.8
85.02817	8.4
86.55221	0.7
87.00749	5.2
89.02311	19.1
93.03329	2.6
95.01260	2.9
95.04900	1.9
97.02833	11.9
99.00768	2.8
101.02320	14.6
107.04912	1.8
109.02818	1.2
109.06475	29.9
110.03642	2.2
111.00777	1.0
111.04396	1.9
113.02321	12.1
119.03407	4.7
121.02843	0.8
121.06474	2.7
123.04446	1.3
125.02326	6.6
125.05997	1.2
125.09585	4.0
131.03426	1.0
133.02853	5.8
134.03622	1.7
135.04443	9.4
135.08049	5.2
136.05165	2.0
137.02332	1.8
141.01823	1.5
142.02634	1.9
143.03407	2.1
158.39070	0.8
161.02359	12.3
161.04474	3.6
161.09610	3.0
163.09833	1.5
163.11201	23.6
164.11569	1.4
165.12776	3.5
171.10216	3.0
179.03432	10.5
179.05508	3.3
181.12267	6.0
185.11742	1.7
187.09572	1.1
189.09071	1.7
191.10693	1.4
201.11256	1.2
207.10204	72.2
208.10641	3.8
209.11769	100.0
210.12074	6.6
213.09242	1.3
217.12265	2.1
217.58932	0.7
221.06619	1.4
223.13278	0.9
225.11270	40.6
226.11732	2.0
227.12825	11.4
231.10262	2.5
235.08253	3.3
235.13396	1.6
243.12366	1.0
245.11855	1.5
247.13426	1.7
249.11333	1.9
263.07877	0.8
263.12875	3.5
273.14575	0.8
281.13962	1.0
299.15182	1.0
373.24097	1.6
379.12637	2.6
397.13461	26.8
398.14008	1.7
399.21698	3.3
415.14563	9.2
417.22980	5.1
435.23865	1.1
487.14761	2.2
574.08887	0.9
605.24255	4.8
606.23785	1.2
623.25739	7.6
671.29285	3.5
672.28882	1.8
771.35138	1.0
797.36060	13.5
798.36554	3.0
815.36957	21.3
816.36853	4.6
833.38263	32.1
834.38794	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	833.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00476	0.9
59.01256	12.7
60.01605	0.3
60.82372	0.3
61.98706	3.6
67.01727	0.5
68.99676	0.6
69.03336	2.1
69.30151	2.0
69.30561	0.6
71.01255	22.3
72.01585	0.6
72.99180	18.9
73.02815	9.1
75.00743	1.0
81.03320	1.1
83.01251	4.3
83.04901	0.8
84.02062	0.5
85.02822	15.7
85.99968	0.9
87.00760	2.0
88.98657	0.5
89.02324	5.8
93.03351	0.6
95.01270	3.3
96.95876	0.6
97.02844	3.6
99.00761	5.0
99.48740	0.4
101.02321	14.3
102.70933	0.4
108.02039	0.5
109.02827	1.0
109.06480	0.9
111.00741	1.1
112.01550	2.9
113.02334	13.7
119.03403	1.1
119.04942	0.9
121.02829	0.9
122.06029	0.9
123.00793	0.6
123.04391	1.3
125.02326	1.8
125.03460	0.7
130.87254	0.4
131.03427	1.3
133.02911	2.1
134.03535	0.5
134.06084	0.6
135.04399	2.2
137.02335	2.3
139.00232	0.6
139.03908	0.4
143.03372	0.9
145.02873	0.9
152.01053	0.6
153.01813	0.5
158.02415	0.6
159.02907	0.6
161.02357	3.4
161.04430	3.0
163.03963	0.7
163.11194	1.0
165.01721	0.5
167.03407	2.7
175.02449	0.4
175.03922	0.6
177.01872	0.5
179.03441	2.9
185.11748	2.7
187.07600	0.6
190.05020	1.6
198.09192	0.8
207.10217	2.0
209.11758	4.4
225.06659	0.7
225.11234	1.7
226.07541	0.6
227.08051	0.4
229.09851	0.8
229.34618	0.4
237.14813	1.0
239.08290	0.5
240.10213	0.4
241.09779	6.4
242.10176	0.6
267.07605	0.4
271.73358	0.4
279.07608	0.5
283.10757	0.9
284.08466	0.4
303.18210	1.5
315.13507	10.9
316.13770	0.7
329.16068	5.2
330.16626	0.5
337.11847	0.5
347.17087	9.3
348.17471	0.7
397.13483	1.2
403.16092	0.5
418.86069	0.4
428.85681	0.4
443.19312	1.0
461.20291	100.0
462.20642	11.7
479.21310	24.2
480.21622	2.8
481.21912	0.7
517.18237	3.9
517.31360	0.6
518.18658	1.1
622.98108	0.4
623.09216	0.5
664.22803	0.5
679.36505	2.4
680.37402	0.9
696.24731	0.5
710.25543	1.1
769.27124	0.9
801.29749	2.6
802.29724	1.1
815.37463	0.5
833.30450	1.5
833.41711	3.0
834.43091	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00470	0.8
59.01254	10.7
61.98714	3.2
67.01778	0.6
69.03322	1.9
69.49502	1.9
69.49903	0.8
71.01250	22.0
72.99177	17.9
73.02818	7.9
74.78356	0.5
75.00756	0.7
81.03320	0.9
83.01254	4.8
83.04884	0.8
84.02032	0.5
85.02820	12.6
85.99969	1.0
87.00746	1.4
88.66080	0.4
89.02314	4.2
93.03348	0.5
95.01268	3.7
96.95904	1.0
97.02837	4.7
98.19757	0.9
99.00752	4.3
101.02322	14.4
107.58173	0.5
108.02044	0.6
109.02790	0.7
109.06476	0.9
111.00817	1.0
112.01518	2.9
113.02331	14.7
119.03403	0.8
119.04946	0.6
121.02839	0.9
123.04412	1.5
125.02359	1.8
131.03383	1.0
133.02826	1.8
134.03564	0.7
134.05975	0.6
135.04416	2.2
137.02324	1.9
143.03287	0.7
151.03824	0.8
159.02995	0.7
161.02354	3.2
161.04442	3.1
163.11215	0.7
165.01826	0.5
167.03372	2.7
179.03415	1.8
179.05548	0.7
185.11720	3.1
187.07568	0.6
190.04976	0.8
207.10216	2.0
209.11693	3.6
225.11292	2.1
237.14896	0.7
241.09845	2.4
283.10718	0.6
283.13461	0.7
303.18124	1.6
315.13541	4.3
329.16211	4.4
347.12857	0.6
347.17078	10.4
348.17447	0.9
371.14621	0.7
386.12296	0.5
389.17856	0.5
397.13559	0.5
403.16153	0.8
443.19321	1.0
461.20285	100.0
462.20694	12.6
479.21344	24.6
479.28442	0.9
480.21683	4.0
481.22086	0.9
517.18121	1.6
679.37225	1.7
680.36877	1.1
710.25360	1.0
769.27222	1.3
801.30084	2.5
802.29083	0.9
815.36774	0.8
833.43475	3.8
834.43616	0.7
846.89313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.2
61.98704	100.0
62.98406	0.2
71.01266	0.2
71.07520	0.2
75.00769	0.1
78.95771	0.2
80.96389	0.1
84.97958	0.1
88.98680	0.1
89.02364	0.1
96.95934	0.1
106.39591	0.1
125.02328	0.1
125.99571	0.1
135.04454	0.2
142.95349	0.1
158.29213	0.1
161.02408	0.2
171.10249	0.1
179.03458	0.3
207.10307	0.2
209.11795	0.6
225.11252	0.1
291.10367	0.1
293.21359	0.1
375.23611	0.1
514.35693	0.1
657.34692	0.2
658.34784	0.1
760.45001	0.2
834.39746	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00743	0.1
59.01252	0.5
61.98704	100.0
62.98413	0.2
64.02472	0.1
64.51128	0.1
71.01259	0.3
71.51997	0.1
72.99205	0.1
78.95834	0.1
85.02837	0.1
88.98753	0.1
89.02312	0.2
101.02322	0.1
113.02343	0.1
116.92770	0.1
125.02369	0.1
130.08629	0.1
133.02902	0.1
135.04454	0.2
137.02368	0.1
141.01741	0.1
145.02892	0.2
161.02440	0.2
171.10201	0.1
173.65843	0.1
179.03516	0.1
197.11839	0.3
209.11763	0.4
223.13428	0.1
225.11353	0.1
227.12794	0.1
322.20285	0.1
397.13672	0.2
835.41382	0.2
855.81421	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	834.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40366	0.1
61.98706	100.0
62.98394	0.1
71.31200	0.1
78.13267	0.1
96.95914	0.2
106.76165	0.1
135.04420	0.1
209.11769	0.1
289.18185	0.1
305.85367	0.1
473.17926	0.1
538.36035	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	1.3
59.01252	33.7
61.98698	9.3
70.20634	1.4
71.01252	23.6
72.99171	2.9
73.02831	3.4
80.04941	3.0
80.12001	1.1
83.01257	2.9
83.04900	3.0
85.02812	6.0
87.00750	2.9
89.02318	15.6
90.13650	1.1
93.03359	1.5
95.01250	3.4
95.45915	1.3
96.95866	7.1
99.00774	1.6
101.02332	13.9
106.06503	5.7
107.03650	2.7
108.04448	1.1
108.11462	1.2
109.02845	1.5
113.02337	9.2
119.03388	4.6
119.04919	1.2
120.04431	1.6
120.05932	1.1
122.06008	13.7
132.04427	2.9
133.02888	5.8
134.06009	27.0
135.04401	4.5
136.07535	1.8
137.02318	2.7
145.02902	1.4
148.03877	1.6
150.03130	2.8
151.03958	1.6
152.01067	3.0
152.07057	13.6
160.01546	1.5
160.03893	1.7
160.06297	2.1
161.02367	7.2
161.04509	2.2
162.02509	1.3
163.11195	2.5
165.05469	1.3
167.03371	1.6
174.05409	1.8
175.03920	1.9
179.03450	2.5
183.07887	1.1
188.06995	2.1
190.05005	2.9
195.29919	1.6
209.11765	31.1
211.08743	1.4
213.10292	8.5
225.10263	3.7
227.12993	6.1
229.32332	1.3
235.08617	1.6
237.10327	4.3
239.11801	8.6
241.13440	4.7
250.07375	1.5
251.08325	3.6
251.11778	3.8
252.08910	1.6
253.09734	4.7
262.07401	1.5
263.08252	3.9
263.11563	1.2
264.08899	2.6
265.09732	5.9
266.10492	1.9
267.11407	7.9
277.09814	6.5
278.07086	2.6
278.10553	6.0
279.08075	7.9
279.10901	7.1
285.04053	2.7
285.12473	11.5
291.07925	2.4
291.11359	2.3
292.08521	2.0
293.09360	11.2
294.09924	4.8
295.10712	8.0
305.09250	2.8
307.10794	7.0
314.12454	2.4
314.19183	1.3
321.08823	3.8
321.12280	1.4
333.08588	1.4
337.08221	2.9
337.11893	1.8
339.09763	4.3
348.05438	1.5
351.09619	3.2
355.13113	1.4
358.15424	3.7
384.13464	3.6
385.13889	2.6
396.13126	1.8
397.13599	6.9
398.14844	2.9
400.16681	8.0
401.17319	1.9
410.15161	2.1
412.16638	4.0
415.13980	1.6
424.16550	2.0
444.15701	2.1
459.17352	1.8
467.07684	1.4
486.16711	2.9
504.17374	1.5
550.21753	3.0
565.24255	1.6
573.21991	1.3
609.23853	3.7
620.22681	2.9
621.22534	1.7
638.23822	5.7
641.25757	7.4
648.21997	3.4
649.22266	3.7
666.22968	31.7
667.23529	4.7
670.73114	1.8
673.28894	3.0
674.29871	2.3
680.24866	3.6
683.26807	2.1
698.25629	1.4
712.27350	10.7
713.27698	2.3
727.29486	7.2
734.39624	1.5
759.31934	2.4
771.28870	47.4
772.28998	9.0
783.63379	1.5
803.31384	100.0
804.31879	20.9
835.34039	18.5
836.33875	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	835.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	0.6
59.01250	9.9
61.98691	0.2
69.03322	0.4
69.30529	0.6
69.30956	0.5
71.01251	8.3
71.04886	0.2
72.01607	0.3
72.99175	0.5
73.02812	1.3
80.02546	0.9
81.03318	1.8
83.01254	1.2
83.04897	6.2
84.02045	0.9
85.02821	2.0
87.00757	1.8
89.02319	7.6
91.03873	0.2
93.03339	0.3
95.01264	0.8
95.04905	0.8
96.95872	0.2
97.02832	1.3
97.06481	0.2
99.00751	0.4
99.04417	0.2
101.02320	6.2
107.04886	0.2
109.06488	0.3
111.00793	0.2
111.04417	0.3
113.02328	3.9
115.03903	0.2
119.03394	2.2
119.04904	0.1
121.02857	0.2
121.16110	0.1
123.04535	0.1
125.02334	2.4
125.05971	0.7
125.09670	0.2
131.03380	0.2
133.02870	0.2
133.04950	0.2
135.04434	0.3
135.08060	1.0
137.02345	0.3
139.03879	0.3
141.01807	0.2
143.03389	1.2
145.02849	0.3
147.11731	0.2
149.04449	0.1
157.05060	0.2
161.02388	1.0
161.04453	1.9
163.11194	4.7
164.11520	0.3
165.12781	2.3
167.03455	0.2
169.04959	0.2
171.10185	1.0
179.03458	0.4
179.05516	2.0
181.12253	0.6
189.16226	0.1
191.10707	1.2
199.13348	0.3
209.11766	100.0
210.12106	5.4
217.07089	0.3
221.06668	0.9
221.11745	0.2
223.13336	0.3
227.12837	13.9
228.13142	0.9
235.08156	2.2
247.13435	0.8
247.98004	0.2
251.12801	0.5
253.09343	0.6
263.07718	0.3
265.14566	0.3
287.07660	0.7
301.32489	0.2
305.08676	1.0
323.09845	0.4
379.12479	2.0
380.12839	0.3
397.13486	17.4
398.13773	1.4
401.23627	0.2
415.14532	5.0
416.14810	0.6
419.24619	0.2
437.25256	0.2
544.85046	0.2
589.25085	0.4
590.25623	0.2
607.26416	1.0
607.85919	0.2
787.57990	0.2
798.88586	0.2
799.37946	0.7
817.38574	0.3
835.39282	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	0.7
59.01252	8.8
61.98688	0.3
69.03326	0.4
69.61548	1.4
70.04450	0.2
71.01250	8.2
71.04884	0.2
72.01571	0.2
72.99172	0.8
73.02808	1.2
75.00716	0.2
76.00230	0.2
80.02536	1.6
81.03326	1.8
83.01259	0.7
83.04891	5.5
84.02033	0.7
85.02814	2.0
87.00747	1.8
89.02316	7.2
93.03365	0.3
95.01255	0.8
95.04887	0.7
96.95883	0.3
97.02836	1.3
97.06457	0.3
99.00739	0.5
101.02318	6.2
110.81525	0.2
113.02330	3.3
119.03404	1.9
125.02330	3.1
125.05968	0.4
125.09667	0.3
133.02852	0.5
133.05013	0.2
135.04366	0.3
135.08035	0.8
141.01810	0.3
143.03410	1.3
149.04364	0.2
152.07098	0.3
161.02336	0.6
161.04486	1.6
163.03871	0.2
163.11201	4.0
164.11488	0.2
165.12766	2.8
167.03403	0.4
171.10168	0.8
179.03323	0.4
179.05531	2.1
181.12248	0.9
191.10715	1.3
207.10173	0.5
209.11765	100.0
210.12105	6.2
210.61549	0.2
217.07112	0.2
221.06638	0.8
223.13387	0.3
225.11264	0.3
227.12839	15.6
228.13100	1.1
235.08182	2.7
247.13313	0.9
251.12798	0.5
253.09320	0.6
263.07733	0.3
287.07742	0.7
305.08881	0.9
323.09750	0.7
379.12488	2.6
397.13486	19.1
398.13803	1.6
415.14542	5.6
416.14825	0.3
589.25189	0.5
607.26215	0.8
673.29004	0.6
773.35864	0.3
799.37433	0.9
817.38385	0.4
835.39069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20626	0.6
59.01239	4.8
61.98700	20.4
63.44598	0.6
67.51891	0.6
69.03314	0.6
69.75628	0.7
69.96350	0.5
70.14404	0.6
71.00907	0.7
71.01260	4.8
71.04881	1.3
72.00137	0.6
72.16806	0.6
73.02824	1.0
78.89040	0.6
78.95769	5.6
79.95600	2.7
80.91560	0.7
82.95279	3.5
83.02386	2.4
83.04889	1.5
84.00764	1.8
85.02792	1.5
87.00763	0.7
89.02310	2.6
93.90654	0.6
94.97938	0.8
95.04901	0.7
96.95887	80.9
96.96786	4.9
97.02819	1.1
99.69362	0.7
101.02318	3.4
109.06467	6.8
110.06844	0.8
111.04395	2.1
111.08038	5.8
113.02319	2.5
119.03363	0.9
123.08035	1.1
127.07520	1.4
133.06450	0.6
137.09627	1.0
143.10663	0.8
145.06477	1.6
149.09712	1.0
161.04469	1.8
162.76665	0.7
163.11253	1.1
167.10695	2.1
169.12250	1.8
171.10153	2.9
179.10670	1.3
181.12213	1.5
191.14360	0.9
195.13843	2.1
197.11745	26.6
198.12053	1.5
199.13312	1.8
201.11166	0.8
209.11751	1.5
211.13336	3.7
223.13359	1.5
227.12680	0.7
235.08153	4.1
245.18977	4.1
247.20567	0.8
253.09268	15.2
263.20285	1.2
265.18018	1.1
271.16907	1.1
287.16605	2.1
289.18085	100.0
290.18433	8.0
291.19632	13.9
292.19788	1.1
293.21280	2.7
305.17535	0.9
307.18970	4.6
309.20688	42.9
310.21167	3.3
332.52780	0.7
360.45673	0.7
525.27283	3.1
526.27600	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00476	0.8
59.01252	5.3
61.98703	17.7
69.03313	1.6
69.54099	0.6
71.01250	5.4
71.04903	2.1
71.50412	0.8
73.02818	0.9
73.57690	0.6
76.98037	0.5
78.95781	4.8
79.95607	1.8
80.43179	0.5
80.91563	0.6
81.03330	1.0
82.95285	3.6
83.02412	1.1
83.04906	0.9
84.00762	1.0
85.02828	1.2
87.00764	0.8
89.02332	3.2
93.00936	0.6
95.04871	1.2
96.95891	52.8
96.96795	4.4
97.02837	1.4
97.06451	0.7
101.02309	3.8
106.04095	0.9
109.06483	7.8
111.04418	2.5
111.08033	5.9
113.02317	2.3
119.03400	1.0
120.91579	0.5
123.04412	0.6
123.08023	1.3
123.60162	0.5
125.09591	0.7
127.07574	1.4
135.04427	1.0
135.07996	0.7
137.09573	0.7
143.03436	0.8
143.10567	0.9
145.06497	1.5
149.09596	0.8
150.94389	0.6
151.11215	1.3
153.09074	0.8
153.12723	0.9
161.04459	1.8
161.09557	0.5
163.11226	0.8
165.12816	0.8
167.10706	2.9
169.12244	2.1
171.10187	2.2
171.63654	0.6
177.12733	0.9
179.05417	0.8
179.10754	0.7
181.12233	1.2
195.13843	2.1
197.11768	31.0
198.12140	1.9
199.13336	2.3
207.10193	0.7
209.11743	1.4
211.13330	4.2
217.07259	0.6
223.13293	1.4
227.12904	0.9
235.08287	3.7
245.19057	4.2
249.14806	0.7
253.09268	15.2
254.09488	0.7
261.18683	0.8
263.20142	1.4
271.17090	1.1
273.15228	0.7
273.18570	0.7
275.19888	0.7
287.16568	2.7
289.18100	100.0
290.18466	8.6
291.19678	15.8
292.20001	1.6
293.21246	3.4
307.19128	4.4
309.20721	44.8
310.21179	3.3
342.02502	0.6
525.27051	2.7
545.29626	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	13.1
61.98710	12.5
65.87621	1.0
68.80602	0.9
69.03326	4.2
71.01254	12.2
71.04925	1.0
71.88907	1.0
73.02829	3.7
74.03487	1.0
78.95779	1.9
81.03336	2.6
83.01265	3.5
83.04906	3.1
85.02828	4.4
87.00777	2.1
89.02317	8.5
95.04924	1.8
96.95909	1.7
97.02843	4.8
97.06477	5.7
99.00779	1.5
101.02316	10.5
109.06483	2.8
111.04348	1.3
111.08039	16.6
113.02340	5.0
119.03393	3.2
121.06475	1.4
123.04424	2.8
123.08070	1.7
125.02306	2.3
125.09612	6.2
127.07448	1.2
135.07991	1.4
137.06018	1.4
137.09621	4.3
142.99709	1.2
149.05911	1.7
151.11203	3.3
153.12770	1.5
153.61624	1.4
161.04486	5.2
163.11188	11.2
164.11562	1.1
165.12776	2.9
167.10699	1.8
169.12250	7.8
171.10271	2.8
177.12785	1.6
179.05495	1.8
181.12312	4.0
185.11774	7.9
191.01920	1.6
191.10709	2.4
191.14330	9.6
197.11766	97.8
197.61655	1.3
198.12154	6.6
199.09721	3.3
199.13370	7.0
199.55597	1.3
207.10254	2.8
209.11757	24.7
210.12195	1.7
211.13329	17.8
211.15166	1.5
223.13387	2.2
225.11252	4.1
227.12866	4.7
235.08202	6.1
237.11290	7.5
245.19077	17.5
246.19679	1.3
247.13387	1.3
247.20619	1.3
249.14874	2.9
253.09268	37.4
254.09561	2.2
255.23338	2.7
263.20187	13.6
265.18201	2.8
266.51813	1.2
271.16989	2.4
273.18604	2.2
278.16788	1.2
289.18106	90.6
290.18381	7.2
291.19669	35.2
292.20023	4.8
293.21335	5.4
305.17532	3.9
307.19162	78.1
308.19443	9.1
309.20718	100.0
310.20935	7.2
312.85364	1.1
353.19974	2.6
397.13254	2.1
433.20978	1.4
454.28067	1.4
543.28394	2.3
545.30273	1.3
817.45251	1.6
835.47119	2.7
860.33844	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.2
61.98703	100.0
62.67478	0.1
62.98420	0.2
71.01260	0.4
73.02834	0.2
80.96386	0.2
85.02854	0.1
87.00764	0.1
89.02322	0.1
91.60759	0.1
95.01245	0.1
96.95874	0.2
101.02361	0.3
111.68921	0.1
113.02361	0.2
116.92788	0.2
119.96995	0.1
121.02849	0.1
133.02867	0.3
135.04472	0.4
136.04756	0.1
137.02306	0.2
161.02394	0.6
162.02737	0.1
179.03407	0.5
180.03876	0.1
197.11815	0.1
209.11816	0.2
210.12160	0.1
214.27338	0.1
218.06297	0.1
221.51303	0.1
225.11217	0.1
227.12695	0.1
327.06174	0.1
387.71500	0.1
397.13873	0.1
487.34320	1.9
487.40744	0.2
578.20123	0.1
649.76300	0.1
739.24213	0.1
740.23822	0.1
836.41223	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	1.5
59.01249	21.5
59.76867	0.7
60.74778	0.7
61.98694	4.8
67.01749	0.8
69.15580	0.7
71.00903	0.9
71.01255	14.9
71.24660	0.8
71.52059	1.0
72.99162	2.0
73.02814	1.7
75.00737	1.0
80.04920	1.0
81.03330	0.9
83.01254	2.3
83.04880	1.3
85.02811	5.5
87.00738	1.5
89.02318	9.4
94.02834	2.6
95.01252	2.0
95.07825	0.7
96.95890	1.7
97.02804	1.3
98.02345	3.0
99.00726	1.5
101.02322	8.6
106.06487	3.2
107.04933	1.0
108.02085	0.8
108.04406	1.9
109.02834	1.9
110.02357	7.6
111.04398	8.5
113.02346	5.4
116.92741	4.7
118.06505	0.7
119.03374	2.6
119.04910	2.0
120.04378	0.9
120.08076	6.9
122.06009	7.4
123.04388	1.4
124.03921	1.3
125.05897	0.7
127.07514	1.0
132.02913	1.5
132.04456	2.0
133.02827	3.0
134.05013	1.0
134.06000	15.0
134.09503	0.7
135.04425	4.1
135.06392	0.7
136.03934	3.1
136.67337	0.7
137.02357	11.1
137.04727	1.3
138.05490	1.7
143.03337	1.5
145.02823	1.6
146.04558	0.8
146.05925	0.9
147.05524	1.5
148.03912	1.2
149.02274	0.9
150.03142	0.7
150.05545	6.2
151.03830	1.1
152.01064	1.1
152.03427	6.9
152.07043	5.1
153.04184	1.2
153.05403	0.8
154.04959	1.2
158.02481	0.8
160.01517	1.0
160.03946	1.3
161.02339	6.7
161.04585	1.4
162.05496	1.8
163.03868	1.3
167.03349	0.9
169.04997	0.8
171.10191	10.1
174.05539	2.1
175.05156	0.9
177.01854	1.1
179.03471	4.3
182.83054	0.7
190.04994	3.7
201.10291	6.6
209.11768	1.6
213.10229	3.2
214.10640	0.9
224.09450	1.1
225.10242	1.5
227.11736	5.2
229.09785	8.3
229.13420	2.7
237.10231	2.2
239.11852	1.8
241.09779	2.2
242.10574	1.0
249.10042	1.0
255.11409	6.5
256.11719	1.1
257.13040	3.4
265.09875	3.6
267.11237	0.9
273.12399	1.7
277.09830	2.3
279.11362	2.6
281.12918	2.0
283.10873	1.3
291.07819	1.0
291.11111	1.0
292.08472	1.8
293.09116	0.9
293.12897	1.2
295.10825	1.8
301.11917	13.9
302.12399	1.2
307.10864	3.2
309.12430	1.1
314.12405	1.4
319.12961	7.0
337.11877	2.1
344.14148	1.4
355.13239	1.4
358.11823	1.4
361.11298	1.0
370.15546	1.5
372.13303	2.0
372.17355	1.1
373.14453	1.0
374.14963	2.4
386.11270	1.1
392.15964	1.4
393.16422	0.8
398.14938	1.3
399.24170	0.8
400.13040	3.0
401.13516	0.9
413.13998	0.9
416.16083	11.5
417.16211	1.7
418.13641	0.7
428.16031	1.8
471.31018	3.0
475.17349	1.5
475.29053	1.2
478.15793	0.9
487.16251	1.2
488.18304	0.9
493.30115	2.3
503.33728	2.0
503.66727	1.4
517.18024	3.0
547.26031	0.9
550.21594	1.6
657.24878	1.2
675.26947	1.1
701.93518	0.9
719.29083	1.6
723.67542	0.8
725.28430	1.3
743.29260	5.7
744.29761	1.9
761.30316	6.7
762.30542	1.7
777.29657	1.2
787.28418	5.3
788.28827	1.4
793.33392	0.9
805.29401	37.3
806.29742	9.8
819.31226	2.6
820.10449	0.8
820.29779	1.0
837.31873	100.0
838.32086	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	13.3
61.98698	10.9
67.46031	0.8
71.01248	10.9
71.52082	1.0
72.99163	1.0
73.02827	0.9
75.00751	1.2
80.04899	1.6
83.01265	4.8
83.04872	1.2
85.02829	4.2
87.00768	1.0
89.02325	7.7
94.02837	0.9
95.01254	1.8
96.95869	1.4
98.02338	2.1
99.00729	1.8
99.92461	11.0
101.02326	6.5
106.06457	2.9
108.02026	2.4
108.04440	1.6
109.02851	0.9
110.02398	5.4
111.04412	6.0
113.02345	4.4
116.92743	100.0
117.92738	8.0
119.03394	3.5
119.04951	1.0
120.08080	5.2
122.06035	4.0
124.03945	1.0
127.00269	1.5
132.02061	1.5
133.02834	3.2
134.03745	1.6
134.06012	11.7
135.04414	4.1
136.03894	2.6
137.02319	2.3
138.05475	1.2
145.02858	1.7
147.04422	0.9
149.05927	1.2
150.05460	3.2
151.03807	1.1
152.01062	1.4
152.03392	3.5
152.07059	2.8
154.04965	1.4
160.01585	4.2
160.03894	1.0
161.02336	8.4
161.04506	1.9
163.03816	1.1
168.06606	0.9
171.10242	1.3
174.05548	1.0
175.03845	5.5
179.03381	2.8
190.04991	1.6
193.05020	1.7
201.10283	5.5
209.11905	1.2
213.10207	1.3
223.08746	0.9
227.11803	3.8
229.09782	6.3
229.14197	1.5
237.10399	1.6
239.11816	3.0
251.11717	1.3
255.11330	5.5
257.12857	2.2
263.08096	1.1
265.09781	1.9
273.12585	1.3
278.10602	0.9
279.11157	2.7
281.09354	1.1
281.12830	1.7
283.10794	1.0
292.08502	1.6
293.08990	1.1
301.08884	1.3
301.11942	7.5
307.10950	1.4
319.13162	4.9
350.77719	1.0
362.15558	0.9
370.15610	2.7
372.13156	1.2
374.15045	2.2
386.11121	1.1
398.15237	2.0
400.12842	1.8
416.16055	7.4
417.16763	1.7
434.17374	1.1
475.17566	0.8
487.17209	1.1
517.18256	1.4
661.26501	1.0
679.36792	1.2
719.26074	3.6
725.27625	1.1
743.29315	5.7
744.29651	1.4
761.29901	5.1
762.30328	0.9
787.28699	2.0
805.29224	20.6
806.29993	5.2
819.30481	1.7
837.31854	74.8
838.32092	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	14.2
61.98696	2.9
69.03320	1.9
71.01243	12.1
71.52227	2.1
72.99164	1.9
73.02827	3.4
75.00720	1.4
83.04868	2.7
85.02817	2.0
87.00758	2.8
89.02318	7.8
95.01234	1.5
95.04894	1.9
96.95891	7.5
97.02814	2.5
97.06471	3.7
99.00800	1.5
101.02319	11.6
103.17969	1.4
109.06455	1.5
111.08032	15.6
113.02337	6.2
119.03381	2.6
125.09630	6.6
127.11174	1.7
135.48181	1.5
151.11267	1.6
161.04465	3.7
163.11205	3.6
165.12715	2.7
167.10664	2.3
169.12256	3.8
171.10172	4.4
177.12798	2.6
179.05704	1.4
179.10669	1.9
181.12306	3.4
185.11786	4.0
191.14310	2.3
195.13826	10.7
197.11755	41.0
198.12093	2.3
199.13358	2.5
201.11238	20.4
202.11575	1.9
209.11778	7.9
211.13338	5.8
221.11707	1.5
223.13416	6.5
227.12854	3.9
235.08159	4.5
237.11357	2.1
242.12294	1.6
245.19125	6.4
246.19310	2.0
247.20729	2.4
250.32500	1.4
253.09254	23.8
254.09723	1.8
255.23358	7.0
256.23563	1.8
263.20285	3.7
270.39011	1.7
275.20245	4.1
289.18091	26.2
290.18433	2.0
291.19644	100.0
292.19992	9.4
293.21201	57.7
294.21570	9.7
307.19165	16.7
308.19580	1.7
309.20712	36.6
310.21140	3.7
323.22287	4.2
324.22559	4.2
325.22821	1.9
351.39160	1.6
353.19937	9.5
395.24255	1.5
397.13599	6.8
415.14941	1.7
445.20477	2.3
448.53830	1.7
453.70496	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	839.4075
Annotation	Khekadaengoside B
Peak:m/z	Relative Intensity
59.01250	7.8
60.99180	2.7
61.98697	3.9
68.41148	0.8
71.01244	7.8
71.04895	18.3
73.02808	5.2
75.00729	0.9
83.01249	1.4
84.89408	0.9
85.02828	2.5
85.06444	0.9
87.00749	1.9
88.98680	2.8
89.02312	3.0
91.48315	0.9
95.01207	0.9
96.95906	1.2
101.02320	3.7
102.52750	1.0
113.02313	4.9
116.92749	1.6
117.03329	1.4
119.04845	1.7
119.08541	2.8
131.03386	1.6
133.02869	2.5
135.04387	4.1
137.02306	2.0
144.53529	1.1
145.02827	2.6
148.71768	1.0
149.02283	1.3
161.02370	6.6
161.04463	1.6
163.03830	1.4
174.88861	1.2
177.01845	1.2
179.03421	5.3
229.14409	2.4
229.63695	1.0
235.29774	1.1
285.04080	2.0
375.26984	1.6
391.30365	1.3
409.30963	1.4
423.29355	1.3
435.29205	3.0
453.30209	7.6
471.31146	56.0
472.31598	7.1
488.40094	1.0
503.33994	1.5
509.80975	1.1
515.30151	25.6
516.30414	2.8
557.31140	5.8
617.33392	1.4
719.36090	6.3
821.39056	2.2
831.58160	1.2
839.40771	100.0
840.41101	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.3
67.45780	0.3
69.03297	1.0
71.01254	5.4
71.28152	0.5
73.02805	1.0
83.01262	0.4
83.04884	0.5
85.02355	0.5
85.02827	5.4
87.00740	1.3
89.02317	3.7
91.03878	0.4
95.01221	0.3
97.02834	1.1
97.06480	2.9
101.02330	5.8
111.08058	0.4
113.02330	2.2
119.03380	1.1
125.09557	0.8
127.11145	1.2
128.99586	0.3
137.09602	1.0
143.03363	0.6
145.04939	0.5
149.24188	0.3
155.10663	0.8
155.14296	0.4
161.04457	2.8
165.12744	0.7
167.14297	0.4
171.10190	13.8
171.11665	0.7
172.10484	0.4
177.12743	0.8
179.05508	0.9
179.10834	0.3
179.14310	0.8
181.12236	0.5
183.13821	1.9
185.11761	1.0
189.48985	0.4
193.12260	1.0
195.13852	7.1
196.14398	0.8
197.11780	0.6
201.11148	0.5
203.10695	0.5
205.12234	0.6
205.15855	0.4
209.11772	1.7
211.13347	14.3
212.13672	1.2
221.11794	2.3
223.13377	4.8
224.13835	0.4
227.12862	0.3
228.13664	0.7
229.14421	9.5
230.14677	0.3
231.21268	0.5
235.08200	6.6
239.12854	1.7
247.20677	0.5
249.22168	0.4
253.09277	32.7
254.09534	1.4
256.13132	0.6
265.21744	0.5
273.18433	0.5
275.20190	4.8
291.19727	4.0
293.21231	100.0
294.21600	10.0
309.20703	7.1
310.21155	0.7
327.21771	74.9
328.22092	6.5
468.30740	0.3
529.30432	1.7
530.30316	0.3
545.29541	1.8
563.30743	6.1
564.31458	0.6
603.42743	4.0
604.43146	1.0
730.97473	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	11.0
60.99172	0.8
61.98707	8.3
71.01254	13.8
71.01627	1.3
71.52254	0.9
72.99170	1.6
73.02822	2.5
78.95779	0.8
83.01261	1.5
85.02827	9.3
87.00747	0.9
88.98672	3.4
89.02328	3.8
94.76019	0.6
95.01269	3.4
96.01546	0.6
96.95898	1.2
99.00750	1.2
101.02328	5.6
103.94513	0.6
105.03333	1.0
112.71711	0.6
113.02328	16.4
114.02625	0.8
116.40386	0.7
116.92744	5.1
117.03356	2.9
117.33897	0.8
119.03349	0.9
119.04922	2.6
123.04415	1.0
125.02342	1.0
132.02034	3.4
133.02855	47.0
134.03732	4.0
135.04417	11.4
137.02362	2.9
143.03424	0.7
145.02820	3.7
149.02373	0.9
150.03122	0.7
151.03784	0.8
160.01552	1.1
161.02353	100.0
162.02638	3.9
163.03902	1.2
174.88919	1.8
175.03882	0.8
177.01839	1.1
179.03426	6.9
187.03859	0.7
193.05028	3.9
205.53227	0.6
207.26979	0.6
253.06186	2.3
293.09418	0.8
294.10132	1.1
451.28525	1.4
455.31812	1.1
469.28958	3.7
487.34311	14.3
499.30777	0.8
504.34424	1.0
517.31824	3.1
649.39404	8.6
679.23566	20.4
680.23846	2.2
770.95575	0.7
781.44067	1.6
825.86090	0.8
828.35400	0.8
841.26782	24.9
841.42377	15.4
842.26868	4.7
842.40973	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	4.0
62.22095	0.8
62.91167	0.8
69.28884	8.1
71.01263	4.8
71.04879	3.7
73.02814	2.4
85.02827	2.0
87.00757	1.3
89.02312	2.4
95.01313	0.8
101.02301	2.4
113.02353	1.2
124.13837	0.8
144.93013	0.9
161.02274	1.4
161.04376	0.9
322.41263	1.0
406.88153	1.4
437.30627	5.0
438.31012	1.7
453.29724	1.2
455.31659	5.6
457.29733	1.9
473.32892	4.2
499.23462	1.9
499.30615	26.9
500.31134	4.6
517.31714	59.6
518.32135	10.4
559.32782	1.0
679.37000	1.2
841.42261	100.0
842.42603	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	10.2
59.05063	1.2
61.98704	12.6
68.84659	1.2
71.01250	11.5
71.04889	11.3
72.99174	1.6
73.01036	4.9
73.02822	2.0
74.98969	2.5
75.00733	2.8
76.24577	1.1
79.37373	1.0
83.01273	1.7
83.04870	1.4
85.02814	5.4
87.00768	1.9
89.00536	6.1
89.02311	5.6
91.84182	1.3
93.03316	2.2
93.37722	1.2
98.98988	10.8
99.00787	2.6
101.02311	8.0
108.02055	1.7
109.02834	1.7
111.00732	2.0
113.02337	8.2
116.92747	2.3
117.00031	3.5
117.03352	4.2
118.97972	13.7
119.03398	2.4
119.04935	8.0
131.03409	1.2
133.02821	4.4
135.02902	1.7
135.04399	7.3
137.02339	4.2
142.97983	32.4
145.02852	15.6
160.99069	13.3
161.02365	13.2
161.04466	2.1
162.02757	1.4
163.03876	3.9
175.03929	3.0
177.01790	6.9
179.00113	91.3
179.03325	6.6
180.00406	2.4
181.04614	1.6
184.95419	1.1
193.04929	2.0
285.03665	1.2
323.57007	1.2
371.14923	1.2
375.20010	3.1
377.28326	1.8
393.31540	2.8
437.30396	4.0
455.31613	7.6
456.31537	1.5
473.32718	30.9
474.32874	5.0
499.30692	6.8
500.31180	1.4
503.14410	2.1
503.34082	1.7
517.31683	33.8
518.31891	6.8
533.23834	5.2
559.32660	2.4
579.43561	1.4
679.36951	3.9
721.37939	1.7
841.42352	100.0
842.42029	26.2
842.70929	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	3.7
60.99165	1.4
63.42675	1.3
70.92683	2.3
71.01245	3.7
80.11393	1.1
83.62108	1.3
85.02820	1.4
86.04384	1.2
89.02319	2.0
101.02309	2.9
109.89215	1.2
113.02283	2.6
158.15979	1.3
211.08519	1.2
410.60336	1.2
433.07446	1.4
437.30670	5.9
455.31671	26.2
456.31924	4.4
471.30981	3.9
499.30750	5.5
517.31653	30.0
518.31897	5.1
559.32935	2.0
841.42267	100.0
842.42468	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.7
61.98710	2.9
65.40981	0.4
71.01258	7.9
71.04883	1.6
72.99172	1.1
73.02817	1.7
75.00747	4.3
82.52741	0.5
83.01245	4.0
85.02811	3.4
87.00755	1.6
89.02320	3.5
90.60881	0.6
93.03323	0.6
95.01260	1.1
96.95898	1.5
99.00787	1.7
101.02319	5.2
109.02813	1.2
113.02328	5.2
117.03340	3.3
119.03396	1.2
119.04890	2.6
121.02815	1.2
123.04396	1.2
125.02345	0.8
127.00263	2.1
131.03401	0.8
133.02858	1.4
135.04387	2.5
136.04840	0.5
137.02370	1.3
143.03412	0.9
145.02847	9.8
146.03171	1.0
148.01517	1.0
150.03072	0.9
152.01033	0.9
153.01904	0.6
153.05466	0.8
159.02922	0.5
160.01538	0.9
160.03979	1.3
161.02356	4.7
161.04475	2.9
161.05688	0.6
163.03943	3.8
165.01889	0.5
167.03465	0.7
175.03880	1.3
177.01814	2.6
178.02423	1.1
179.03464	2.8
181.04958	0.9
195.06641	0.8
200.31837	0.5
205.04988	1.0
221.06624	0.9
247.08105	0.6
265.09277	0.7
285.04156	3.1
345.15408	1.2
347.17163	1.2
363.26840	1.1
377.28607	0.7
379.30045	2.2
397.30988	0.9
423.28842	0.8
437.30670	3.6
438.31046	0.7
453.29901	1.0
454.31100	1.1
455.31573	5.6
457.29700	1.6
471.30768	0.6
473.32657	3.5
499.30670	20.7
500.30933	4.8
517.31689	100.0
518.31970	15.9
518.67902	0.6
533.17401	1.8
559.32733	26.3
560.33173	4.1
593.12756	1.3
619.34583	1.2
661.35675	1.0
679.28326	5.6
680.29303	1.0
721.38068	16.0
722.38623	3.7
807.41962	0.6
841.26544	3.6
841.42255	28.3
842.26257	1.7
842.42285	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	841.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	16.7
60.99202	1.3
61.98703	13.2
67.32205	0.7
69.56496	0.7
71.01258	13.8
72.99178	1.2
73.02815	4.5
78.95818	1.2
80.59238	0.8
83.01289	2.3
83.04950	1.0
85.02819	7.8
87.00769	1.4
88.98702	3.5
89.02337	5.1
93.03355	1.1
95.01273	1.4
96.05447	0.7
96.95893	1.2
99.00774	4.3
101.02318	8.4
101.02895	0.7
113.02348	8.8
116.92744	9.1
116.93378	0.7
117.03349	25.9
117.92715	0.8
119.03484	2.2
119.04920	15.5
119.05748	1.2
121.02839	1.2
123.04412	1.1
125.02363	1.1
131.03450	0.8
133.02823	3.9
134.03647	1.3
135.04483	3.3
137.02412	2.5
143.03441	1.0
145.02864	100.0
146.03221	5.3
149.06073	1.0
161.02357	10.0
161.04541	3.0
161.06009	1.5
163.03935	13.6
165.05504	1.2
168.35081	0.8
175.03993	1.3
179.03465	3.5
179.05696	0.7
184.56085	0.8
185.43163	0.7
205.05101	1.2
209.11891	1.9
210.12242	1.1
237.81041	0.8
255.41360	0.8
272.32297	0.8
299.05807	1.3
307.08240	32.6
308.08737	3.1
382.36194	0.7
390.27679	0.8
425.30753	0.8
437.30875	2.0
451.28314	5.0
452.28662	0.8
455.31656	4.2
469.29257	15.7
470.29987	2.2
471.13187	3.6
473.32947	0.9
487.34369	37.1
488.34338	5.2
499.31091	3.1
511.31058	1.1
517.31470	6.3
533.23895	25.6
534.24390	4.8
547.86926	0.8
614.27661	0.8
649.39618	16.0
650.40710	2.5
679.27307	1.2
691.40436	1.1
744.01160	1.0
781.44525	3.7
841.43085	37.6
842.43524	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	843.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	7.8
60.99177	20.8
61.98713	15.5
69.03326	2.2
69.79924	1.5
70.09058	5.8
71.01263	6.9
72.99142	1.7
74.34933	1.5
75.00755	3.2
83.04882	2.1
83.09416	1.4
84.02021	1.8
84.12928	1.3
85.02779	1.6
87.00719	2.5
88.98679	89.4
89.02309	9.1
97.06463	8.0
101.02333	6.7
113.02355	4.1
125.09609	1.8
134.95486	1.7
161.02350	2.1
161.04474	3.6
161.42183	1.8
167.10687	4.1
171.10201	14.0
179.14235	3.0
183.90623	1.5
185.11842	1.7
193.12253	8.8
194.12383	1.6
195.13924	8.7
205.12285	6.3
209.11647	2.5
211.13275	4.4
221.11732	1.8
223.13335	86.1
224.13771	3.7
225.14897	16.3
235.08260	4.0
243.15935	6.8
253.09322	14.6
284.81381	1.6
291.19580	5.5
293.21219	2.5
303.54355	1.8
323.22021	2.2
338.86658	1.9
341.23300	100.0
342.23645	10.1
397.13300	1.8
459.22168	11.5
547.36316	6.4
552.65613	1.8
577.32263	9.4
666.31451	1.8
783.45422	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	846.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.8
60.99168	0.4
61.91141	0.2
61.98703	100.0
71.01246	1.2
71.40897	0.2
72.99176	1.3
75.00749	0.2
78.89317	0.1
85.02850	0.2
87.00752	0.3
88.98680	2.0
89.02338	0.8
101.02339	0.6
110.34445	0.2
113.02364	0.3
119.03381	0.2
125.02365	0.3
171.10199	3.5
172.10493	1.0
179.05557	0.2
195.13992	0.2
207.10246	0.5
209.11763	1.0
223.13426	0.4
224.13731	0.3
225.11224	0.2
253.09204	0.2
291.19550	0.2
293.21222	3.7
294.21637	2.1
312.11093	0.2
380.12769	0.2
397.13513	1.2
398.14038	0.5
415.14804	0.4
416.15005	0.3
469.63290	0.2
808.59753	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.6
61.98708	2.8
65.91833	0.5
69.03333	0.6
69.79569	0.4
71.01257	13.1
71.52367	0.6
72.99194	1.5
73.02828	1.6
83.01270	1.0
85.02821	11.1
86.23603	0.5
87.00770	1.4
89.02319	4.6
89.03841	0.8
93.03344	1.5
95.01260	4.0
96.95893	18.2
97.02837	0.8
98.45062	0.6
99.00782	1.9
101.02337	3.8
108.02071	1.5
109.02835	0.6
113.02337	21.1
114.02679	1.2
117.03344	1.9
119.03393	1.2
119.04922	1.5
121.02833	2.3
122.03624	2.8
123.04399	1.8
125.02322	0.7
127.32477	0.5
132.02069	23.6
133.02890	3.9
134.03639	26.5
135.04478	3.4
136.01596	1.0
137.02342	2.7
137.05994	0.7
139.03859	0.5
143.03378	1.2
145.02855	1.7
147.04346	0.6
149.02347	7.0
149.04529	0.8
149.05995	3.3
150.01959	1.0
150.03128	16.4
151.03796	1.0
152.01076	0.8
152.04668	0.7
153.05490	0.8
160.01572	97.2
161.02286	7.6
161.04402	3.0
162.02878	0.7
163.03917	1.1
164.04636	1.0
165.05482	11.1
167.06996	1.1
175.03925	100.0
176.04259	6.3
177.01840	2.1
178.02676	2.3
179.03415	3.3
179.05624	0.5
180.04080	1.4
181.72371	0.5
182.40436	0.5
193.04990	24.6
194.05368	1.3
195.06546	3.2
214.92517	0.5
216.34753	0.5
265.07037	1.3
275.02167	0.5
282.08789	0.8
283.09641	0.6
289.07077	0.7
297.11206	1.5
300.10120	0.5
312.67163	0.5
315.12442	1.4
337.09299	1.4
341.10388	1.5
345.15558	2.6
377.35117	0.5
416.88251	0.5
459.18823	0.6
475.18335	2.5
505.17166	0.9
542.51746	0.5
582.04095	0.5
598.34174	0.5
605.22327	1.0
623.23566	9.3
624.23523	1.8
651.22986	14.4
652.22632	3.0
653.24023	1.7
654.24713	0.6
671.25653	3.7
672.25885	0.7
705.24274	2.2
705.34424	0.6
799.28174	24.9
800.28796	6.3
811.26984	1.0
829.28778	2.7
830.28833	0.6
847.29626	7.3
848.29767	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	847.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	9.7
61.98702	3.4
65.10182	0.4
69.20316	0.6
69.20726	3.5
71.01252	13.5
72.99188	2.1
73.02820	2.9
75.00766	0.7
78.95779	0.8
83.01260	1.5
84.01975	0.4
85.02822	9.3
87.00749	1.5
89.02317	7.7
89.03822	0.6
93.03319	2.6
95.01263	3.0
96.95883	2.5
98.19857	0.9
99.00760	4.9
101.02315	4.7
105.03368	0.5
106.04076	0.7
108.02066	1.4
109.02835	1.2
111.00773	0.9
113.02331	17.0
117.03332	1.1
119.03358	1.8
119.04915	1.9
121.02857	3.7
121.10103	1.1
122.03636	6.1
123.04385	1.2
125.02286	1.2
131.03365	1.0
132.01042	0.5
132.02065	18.3
133.02907	2.4
134.03635	22.3
135.04475	2.9
136.01564	1.2
137.02333	3.9
137.05988	1.2
143.03418	1.0
145.02838	1.5
147.04446	0.7
149.02347	9.5
149.04474	1.4
149.05954	3.6
150.03133	33.0
151.03595	1.1
152.04718	1.9
155.30412	0.4
160.01572	80.8
160.20435	0.5
161.02283	6.9
161.04375	2.4
161.05688	0.4
162.02914	0.8
163.03900	0.9
164.04698	1.3
165.05489	24.4
165.09122	2.0
166.05809	0.9
167.07054	4.1
175.03920	100.0
176.04263	5.1
177.01927	1.1
178.02650	2.3
179.03438	2.5
179.05254	0.4
179.80861	0.4
180.04169	1.7
191.05534	1.0
193.04994	16.0
193.06772	0.8
194.05374	0.7
195.06555	8.7
253.09186	1.4
256.33542	0.4
265.07043	0.6
269.63678	0.5
282.08984	0.8
287.22226	1.5
297.13327	0.6
329.12381	0.7
339.35812	0.4
341.10242	1.7
371.11371	0.9
389.12244	0.6
415.14529	2.5
449.27512	4.8
457.17102	1.2
459.18704	2.9
461.20120	0.5
475.18460	4.1
477.19608	1.9
651.22931	78.6
652.23309	13.1
652.34180	0.7
799.28229	0.9
847.30060	1.4
847.44666	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	45.2
61.98701	8.4
69.03308	0.9
69.52096	0.7
71.01254	62.8
72.01585	0.8
72.99190	11.5
73.02820	30.6
75.00759	1.5
80.81115	0.8
83.01266	2.8
83.96133	0.7
85.02827	28.8
87.00743	3.8
88.98714	0.7
89.02318	62.3
90.02659	1.0
93.03331	1.8
95.01267	10.4
96.95882	10.0
97.02847	3.8
99.00758	100.0
100.01116	1.5
101.01698	1.7
101.02324	21.4
102.22944	0.8
108.02057	1.5
108.84968	0.8
109.02849	2.7
111.00766	1.2
113.02329	60.1
117.03354	1.3
119.03400	5.8
119.04919	2.3
121.02855	1.5
121.10122	22.8
122.26427	0.9
123.04414	2.0
123.08041	1.1
125.02316	2.3
126.94635	0.7
131.02463	1.4
131.03404	14.8
132.02039	1.3
133.02846	4.7
134.03622	2.3
135.04440	5.2
136.01527	1.0
137.02414	3.8
137.09613	1.0
143.03380	2.5
145.02937	1.9
148.77806	0.9
149.02510	1.5
149.04463	48.0
150.03085	1.7
150.04887	0.9
151.03896	1.9
152.01036	2.8
160.01549	6.3
161.02397	10.1
161.04471	23.1
161.05833	1.3
163.03905	2.5
163.11217	2.4
165.01924	1.1
165.05428	2.0
165.09123	44.3
166.02580	1.0
166.09433	2.6
167.03313	1.0
175.02562	1.1
175.03870	5.1
175.11232	1.1
177.01860	1.6
178.02582	1.0
179.03416	7.3
179.05504	1.5
180.04193	1.4
181.05025	1.2
183.10196	2.1
189.12781	1.0
191.05540	27.1
192.05956	0.9
193.01454	0.9
193.04912	1.0
193.12357	1.1
195.06558	2.0
207.10197	10.6
207.13902	2.7
207.50352	1.0
225.07588	1.6
225.11136	1.2
233.06624	11.9
237.09053	1.6
237.11279	18.7
238.11545	1.4
293.08835	4.3
297.13416	18.2
298.13818	2.1
327.14539	1.1
339.14413	6.5
345.15625	3.0
351.05954	1.0
381.15549	2.6
415.19736	1.5
417.15698	0.8
441.17606	1.6
442.27164	0.9
459.18747	52.5
460.18939	6.2
461.20105	3.3
477.19766	21.5
478.19904	2.0
479.21320	2.0
541.67804	1.0
847.25854	2.1
847.39325	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	847.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	1.9
68.34013	0.9
71.01274	1.0
78.95772	37.7
79.95593	1.9
80.96398	5.9
83.84760	0.9
94.97926	1.2
96.96834	8.6
108.19093	1.0
118.45161	0.8
122.97407	1.2
128.02710	1.0
152.98528	1.2
152.99519	10.8
195.13800	3.0
217.00267	1.7
223.00050	3.2
223.13367	2.1
225.00662	2.9
241.01140	19.9
255.23271	28.8
256.23441	2.2
257.56702	1.0
259.02094	1.2
275.20010	1.8
293.21240	13.6
343.07739	1.1
374.99414	1.1
375.66013	1.0
391.22610	4.3
429.20590	1.7
553.27759	3.9
591.25555	1.5
847.49646	100.0
848.49896	34.2
881.00201	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71024	2.6
61.98693	3.1
78.95773	64.2
79.95599	2.9
80.96409	13.0
96.96832	13.1
98.19762	5.6
115.63602	2.8
136.25267	2.7
152.99477	17.8
161.81805	2.8
164.98488	2.7
195.13805	8.4
200.46243	2.9
223.00069	4.8
223.13255	4.2
225.00670	3.3
241.01189	36.0
255.23267	53.9
256.23547	4.3
275.20273	4.3
293.21271	21.1
297.03723	4.3
328.64700	3.1
344.62897	2.8
391.22455	4.0
847.49683	100.0
848.49884	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	1.5
71.51757	1.0
76.61221	0.8
78.95775	15.2
88.88214	0.7
94.34043	0.7
110.98409	10.0
162.20724	0.8
167.01044	9.2
185.02180	2.2
211.13252	0.9
255.23264	100.0
256.23636	9.0
351.09021	0.8
423.25168	67.7
424.25540	9.3
614.69220	1.0
826.75836	0.9
848.47565	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
71.01253	0.6
74.24977	0.2
78.95761	0.9
79.95618	0.3
82.19200	0.2
94.97977	0.4
96.95885	7.2
96.96877	0.5
162.58963	0.2
167.53935	0.2
197.75363	0.2
209.12016	0.3
225.11414	0.2
317.03827	0.2
343.15454	0.2
605.91803	0.3
690.31403	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.3
61.75154	0.1
61.98705	100.0
62.98412	0.3
71.01267	0.3
71.51308	0.2
75.00755	0.2
78.91778	0.2
78.95810	0.2
85.02831	0.1
88.98696	0.1
96.95927	0.1
101.02351	0.1
113.02359	0.2
116.92690	0.1
120.57652	0.1
123.07947	0.1
133.02917	0.3
135.04413	0.5
161.02364	0.5
171.10234	0.4
179.03426	0.7
180.03703	0.1
207.10335	0.2
209.11833	0.5
255.23247	0.1
360.37344	0.1
393.05966	0.1
397.13712	0.2
405.94696	0.1
407.27661	0.1
452.77594	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	849.376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01596	0.8
60.17678	0.2
61.98708	0.2
65.78819	0.2
67.89868	0.2
69.03327	0.9
69.47409	1.2
69.47816	0.4
70.83881	0.2
71.01254	35.5
72.01585	0.4
72.99168	1.7
73.02818	28.7
74.03159	0.5
75.00755	0.5
81.03323	0.4
83.01256	7.7
85.02352	0.4
85.02827	5.5
87.00758	1.0
89.02317	25.1
90.02657	0.3
95.01268	2.3
97.02832	0.8
99.00758	13.8
101.02324	27.3
102.02641	0.5
113.02330	16.7
114.02688	0.3
117.26117	0.2
119.03388	4.9
119.04744	0.3
125.02322	1.3
131.03392	6.7
134.03598	0.3
135.04430	0.5
143.03413	3.6
147.02866	0.3
149.04459	26.7
150.04745	0.6
155.03476	1.2
155.70135	0.2
161.02232	0.6
161.04469	11.8
162.04776	0.3
175.03830	0.3
179.03322	0.4
179.05473	0.5
191.03999	0.4
191.05547	5.3
203.05537	1.4
221.04584	0.3
221.06604	4.0
233.06628	7.9
234.06940	0.2
261.13254	0.4
293.08823	3.5
294.09058	0.3
303.14578	1.3
311.09598	0.8
318.35089	0.2
500.40796	0.2
644.28424	0.3
849.29132	0.4
861.50226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00955	1.1
59.01252	20.7
59.25397	0.6
61.98702	6.5
63.64534	0.7
69.03335	4.9
71.01257	20.0
71.04900	1.5
71.52142	0.9
72.99178	3.4
73.02821	3.2
80.02576	1.0
81.03339	2.7
83.01262	3.0
83.04907	4.2
84.02065	1.2
85.02824	6.4
87.00752	3.9
89.02319	12.2
93.03360	2.7
95.01278	2.0
95.04897	1.8
96.95897	2.1
97.02837	3.3
97.06514	1.1
99.00738	2.1
99.04382	0.7
101.02323	13.7
109.02810	0.9
109.06479	1.7
113.02347	9.0
116.92750	3.3
119.03403	1.9
119.04924	2.3
121.02848	0.9
123.04429	0.8
123.08018	1.5
125.02322	2.3
125.09611	2.7
133.02863	3.4
134.03613	0.7
135.04437	4.3
136.01578	1.4
137.02339	4.6
143.03380	1.0
145.01257	1.1
145.02853	1.4
149.02336	0.9
149.06055	1.0
150.03091	0.8
151.03845	1.0
151.11182	2.0
153.12730	0.9
160.01653	0.9
161.02379	8.9
161.04497	2.5
161.09657	3.3
163.03932	0.9
163.11198	5.2
165.12752	2.0
171.10184	1.7
179.03427	4.4
179.05560	1.4
179.10716	5.4
181.12253	1.0
197.11771	53.4
198.12146	3.0
203.10875	0.8
207.10196	2.8
209.11771	42.7
210.12122	2.5
213.11272	0.7
221.06642	2.8
223.09724	1.7
225.11205	3.2
227.12830	3.7
235.08176	1.1
241.10828	3.9
304.09088	0.7
329.15970	1.0
347.17032	6.0
371.88776	0.9
397.13599	4.3
415.14377	1.0
621.23822	1.1
813.32428	0.9
831.37030	0.8
849.37640	100.0
850.37976	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	10.9
61.98700	1.8
62.69548	0.2
67.01729	0.4
68.99670	0.3
69.03322	2.0
69.30257	1.2
69.30663	0.6
71.01252	21.6
72.01582	0.3
72.99181	20.4
73.02819	8.0
73.74352	0.3
75.00755	0.5
81.03316	0.9
83.01259	4.2
83.04905	0.3
85.02824	14.3
85.99952	0.8
87.00755	2.0
89.02312	4.4
93.03329	0.8
95.01253	2.8
95.04870	0.3
96.95875	0.6
97.02827	5.0
98.19829	0.5
99.00763	4.7
101.02322	15.7
102.02675	0.3
107.04913	0.4
108.02027	0.8
109.02843	1.1
111.00763	1.5
111.04396	0.5
112.01546	3.1
113.02333	13.4
119.03388	0.8
119.04938	0.6
123.04393	0.4
123.08065	1.7
124.01544	0.6
125.02324	1.8
129.01801	0.4
131.03404	1.1
133.02846	1.2
134.03606	0.3
135.04407	1.2
136.04854	0.2
137.02347	1.1
137.09570	0.4
139.03903	0.3
141.01755	0.3
143.03395	1.1
145.02837	0.4
145.05043	0.4
149.02388	0.5
150.03143	0.3
151.03894	0.4
153.45432	0.2
159.02887	1.1
160.01527	0.3
161.02348	2.7
161.04437	2.7
163.03917	0.7
163.11206	2.1
165.05447	0.4
175.02425	0.4
179.03433	1.8
179.05605	0.3
185.11769	3.9
186.12000	0.3
189.12776	2.4
190.05060	0.3
197.15430	0.3
207.13817	2.3
211.13414	0.4
223.09737	0.3
225.11174	0.5
225.14862	0.4
227.12801	0.3
237.14853	1.4
285.04236	0.3
285.17090	0.4
303.18170	1.8
329.16107	4.8
345.15555	0.5
347.17056	10.7
348.17188	0.6
350.74127	0.3
387.20560	0.4
389.18228	0.6
403.16125	0.7
435.22302	0.3
443.19147	0.9
461.20276	100.0
462.20660	12.8
479.21332	19.7
480.21622	2.5
649.39691	0.8
849.41907	3.6
850.42389	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	14.5
60.19457	1.8
67.32682	1.9
71.01250	14.4
78.95770	3.0
85.02856	3.2
87.00711	2.3
89.02333	10.2
95.04871	2.2
97.06472	4.7
101.02351	9.4
113.02317	4.0
119.03376	2.8
125.02342	1.8
143.86546	2.0
151.11151	12.5
161.04370	2.5
169.12270	36.0
170.12688	2.3
213.11327	4.5
241.21719	2.2
255.23274	47.4
256.23615	9.6
423.24997	3.8
424.25403	6.4
425.25937	2.8
849.48438	100.0
850.49097	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	850.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.1
61.98704	100.0
62.98402	0.2
68.48234	0.1
71.01277	0.3
72.44134	0.1
78.95776	0.2
80.96420	0.2
83.16290	0.1
86.32911	0.1
89.02309	0.1
96.95895	0.3
110.76785	0.1
112.95340	0.1
171.10205	0.2
179.03578	0.1
197.11800	0.2
209.11838	0.5
230.09369	0.1
253.09315	0.1
261.32263	0.1
291.19666	0.2
293.21323	0.2
295.55902	0.1
309.20663	0.1
518.70251	0.1
544.53729	0.1
605.64709	0.1
613.30139	0.1
747.37299	0.1
748.98395	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	850.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98404	0.1
64.37048	0.1
70.99085	0.1
71.01268	0.3
79.36768	0.1
90.09922	0.1
96.95906	0.3
146.00951	0.1
171.10204	0.1
179.20900	0.1
201.11288	0.1
209.11731	0.5
212.55354	0.1
225.11339	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.2
61.98703	100.0
62.98394	0.2
63.08675	0.1
63.66745	0.1
71.01275	0.4
71.51218	0.1
78.95780	0.2
80.96406	0.2
85.02850	0.1
89.02316	0.2
96.95923	0.2
101.02325	0.1
113.02340	0.3
116.92732	0.1
120.87583	0.1
121.28337	0.1
133.02895	0.2
135.04422	0.3
153.69940	0.1
161.02428	0.2
171.10214	0.1
179.03506	0.3
209.11827	0.4
211.13298	0.1
225.11272	0.1
230.83772	0.1
246.71709	0.1
397.13336	0.1
473.01474	0.1
495.72769	0.1
718.23895	0.1
779.82019	0.1
850.39557	0.2
851.40698	0.2
865.40887	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	853.277
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00184	0.7
71.01241	2.5
71.51888	0.6
72.99173	0.9
75.00771	0.8
80.14332	0.6
85.02821	3.3
87.00784	1.3
99.00738	1.6
107.01273	1.5
109.02857	0.6
113.02319	3.1
133.02867	6.6
134.03259	0.9
135.04382	3.5
149.02356	1.0
151.00261	4.1
161.02454	4.1
175.02472	0.9
175.03915	2.8
179.03397	3.1
180.03743	0.6
199.03909	1.5
216.04285	0.7
241.04926	0.8
255.02979	1.4
283.02371	0.9
284.03220	0.8
285.04044	100.0
286.04340	8.7
327.05081	2.0
332.67712	0.8
335.12372	1.0
357.06317	1.1
461.07266	50.4
462.07629	6.5
504.08502	0.8
553.49286	0.8
873.14490	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01577	0.2
61.98707	0.9
65.17897	0.1
69.03323	0.3
70.47633	0.3
71.01254	7.2
71.04889	0.7
72.01608	0.1
72.99182	0.5
73.02818	6.0
73.79935	0.1
74.03112	0.2
75.00742	0.2
80.02528	0.2
81.03332	0.3
83.01259	3.1
83.04881	0.3
84.40218	0.1
85.02820	0.9
87.00749	0.4
89.02322	2.3
95.01260	0.3
96.95898	0.1
97.02838	0.4
99.00764	0.5
101.02326	14.4
102.02678	0.2
106.95074	0.1
107.08913	0.1
109.02833	0.1
109.06464	0.1
113.02336	2.4
119.03399	1.8
120.72194	0.1
125.02361	0.9
131.03406	0.8
135.04430	0.1
137.02324	0.1
143.03410	1.2
145.02861	0.2
149.04506	0.1
155.03366	0.6
161.02408	0.3
161.04454	1.9
163.11160	0.2
165.12706	0.1
179.05498	0.5
187.02356	0.1
200.65282	0.1
201.11255	1.6
203.05542	3.8
204.05919	0.3
205.15981	0.2
209.11768	4.6
210.12097	0.4
221.06619	0.5
227.12825	0.6
228.55244	0.1
263.07745	0.8
287.07791	0.1
305.08765	0.3
323.09805	0.2
365.10907	0.4
371.29538	0.2
375.26840	0.1
383.29102	0.1
391.30026	0.2
397.13467	1.3
403.30228	0.1
405.31766	0.2
407.33337	1.2
408.33594	0.2
415.14731	0.3
415.28445	0.2
423.32816	1.0
424.32846	0.1
425.34506	1.0
426.34659	0.3
427.32150	3.1
428.32562	0.6
437.31052	0.1
439.32242	0.4
441.33752	0.2
443.35468	0.5
444.36023	0.1
455.31747	0.2
467.31815	0.3
469.33203	10.9
470.33496	1.9
483.34579	0.4
486.33582	0.1
487.34274	100.0
488.34610	16.3
501.35870	1.5
502.36176	0.3
513.32257	0.6
527.33771	0.1
529.35321	4.3
530.35510	0.8
559.36359	0.4
571.36200	0.3
589.37646	0.5
599.25885	0.1
631.38544	0.2
649.38806	0.2
673.38928	0.3
691.40631	0.2
733.41650	0.5
734.42535	0.2
775.43274	0.2
811.45355	0.3
853.46539	0.6
854.46796	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99176	0.4
61.98716	1.2
64.30909	0.2
66.95933	0.2
69.03319	0.4
71.01255	9.5
71.04899	0.3
71.51511	0.2
72.99171	0.6
73.02819	8.3
74.62981	0.2
75.00739	0.6
81.03323	0.5
83.01258	2.9
83.04896	0.8
84.02095	0.2
85.02820	1.9
87.00758	0.7
89.02321	2.9
93.03336	0.2
95.01255	0.4
95.04917	0.2
97.02830	0.9
97.06430	0.4
99.00760	0.5
99.04382	0.3
101.02322	17.4
102.02657	0.3
102.72107	0.2
104.77842	0.2
111.00751	0.4
113.02334	3.4
119.03391	1.8
119.04917	0.5
125.02334	1.6
127.11104	0.3
131.03371	0.8
135.04395	0.4
135.07993	0.2
137.02322	0.4
143.03412	1.3
145.02905	0.4
149.04453	0.6
155.03363	1.1
161.02348	0.5
161.04482	2.5
163.11154	0.7
164.11595	0.2
165.12721	0.4
168.22095	0.2
171.10165	0.3
179.03400	0.6
179.05542	0.4
191.10640	0.2
201.11272	5.4
202.11618	0.2
203.04085	0.2
203.05557	5.0
209.11772	14.9
210.12158	1.3
221.06573	1.1
227.12839	2.1
235.08325	0.2
253.09286	0.2
253.40639	0.2
263.07730	1.0
266.87659	0.2
287.07779	0.3
305.08795	0.5
323.10056	0.2
377.28592	1.3
379.12454	0.4
391.30206	0.4
393.27939	0.2
393.31754	2.1
394.32156	0.3
397.13498	3.8
398.13919	0.3
403.30060	0.6
405.31705	0.6
407.29181	0.3
407.33646	0.4
409.31036	0.3
415.14865	1.0
421.31287	0.4
423.32755	7.0
424.33008	1.4
425.26935	0.4
425.34204	2.2
426.34418	0.4
437.30820	0.5
439.32141	1.6
441.28311	0.3
441.33810	3.7
442.34351	0.4
457.33347	1.6
458.33441	0.3
467.31622	2.6
468.31961	0.4
469.33221	4.5
470.33475	0.5
475.34384	0.2
483.34741	0.9
487.34274	100.0
488.34601	16.7
501.36093	3.0
502.36246	0.5
513.32184	1.1
529.35333	8.1
530.35541	1.3
556.90686	0.3
559.36389	0.9
571.36664	0.3
589.37738	0.3
607.25989	0.5
733.41614	0.5
734.40881	0.2
775.42352	0.3
853.43756	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	9.1
63.99118	1.0
69.03321	2.7
71.01250	9.3
72.99159	0.7
73.02803	1.7
78.95776	0.7
80.02505	0.8
81.03332	1.6
82.80322	0.6
83.01238	1.9
83.04876	2.0
85.02820	10.1
87.00764	1.3
89.02325	5.7
89.87865	0.7
93.03331	0.8
95.01278	0.8
95.04886	1.7
96.95876	2.9
97.02822	3.8
97.06448	5.0
99.00726	0.7
101.02336	6.8
106.77451	0.7
109.06467	1.5
111.00734	0.6
111.08053	1.2
113.02305	4.9
118.95779	0.6
119.03376	2.1
121.93758	0.7
123.04433	1.5
123.08025	1.5
125.02341	1.1
125.09597	6.1
127.11169	1.7
135.08052	1.1
137.09616	4.7
141.12657	0.8
143.03395	0.9
151.11165	1.0
155.10667	1.1
155.77127	0.6
161.04459	3.3
161.09599	0.8
163.11227	4.4
164.42137	0.6
165.12770	2.5
167.14247	1.0
171.10178	29.2
172.10461	1.3
177.12714	1.2
179.05469	1.0
181.12256	1.7
183.13817	2.8
185.11757	5.2
191.14301	4.5
193.12125	1.4
193.16063	0.7
195.01616	0.7
197.11707	5.2
201.11214	0.9
203.10670	0.7
207.10246	3.0
209.11766	19.5
210.12083	1.0
211.13338	18.0
212.13773	0.9
217.15906	0.9
221.11823	2.5
225.11389	1.4
227.12784	1.7
229.14363	9.2
232.81149	0.6
235.08139	7.0
237.11308	2.2
239.12830	1.9
245.19078	8.7
253.09262	29.1
254.09593	1.3
263.20160	2.9
271.16928	1.4
281.21182	1.0
289.18085	45.0
290.18362	3.5
291.19675	6.8
292.19992	0.9
293.21274	2.6
307.19144	51.3
308.19531	4.3
309.20728	14.5
310.21048	1.6
310.29916	0.6
325.20175	6.1
327.21762	100.0
328.22165	8.6
341.19287	0.8
416.53445	0.7
439.53281	0.8
444.70120	0.6
445.20746	1.2
525.26593	0.9
543.28284	1.9
545.29572	0.9
563.30914	3.6
617.40692	1.7
853.49841	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.5318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	1.3
62.96849	0.3
63.21093	0.3
65.52399	0.3
69.03317	0.9
71.01251	5.1
72.99191	0.3
73.02814	0.8
75.00750	0.5
83.01276	0.6
83.04903	0.5
84.02039	2.2
85.02818	1.5
87.00742	0.9
89.02320	3.6
95.01263	0.4
95.04856	0.3
96.95928	0.4
97.02813	0.9
97.06474	4.9
98.20572	0.8
99.04427	0.8
101.02328	4.6
103.00261	0.5
109.06570	0.3
110.36774	0.3
111.08041	0.8
112.75444	0.3
113.02336	1.9
116.92732	0.4
119.03397	1.2
119.08536	0.4
125.09614	1.0
127.11166	0.4
130.19792	0.3
136.25623	0.4
137.09605	1.0
143.03394	0.4
145.04997	0.5
149.13239	0.4
161.04472	2.4
165.12865	0.6
167.10699	0.5
171.10173	8.9
172.10501	0.5
175.11150	0.6
177.12791	0.4
179.05518	0.9
179.14328	0.8
181.12222	0.5
185.11783	0.6
193.12268	7.1
195.13832	8.9
196.14548	0.6
197.11710	0.8
197.15353	0.3
202.20079	0.3
205.12228	1.0
205.15820	0.6
209.11743	0.8
211.13287	2.5
221.11667	0.7
223.13376	5.8
224.13939	0.4
225.14926	9.4
226.15376	0.6
227.12820	0.5
228.13557	0.4
231.21121	0.6
235.08200	3.9
243.15988	4.4
245.18892	0.4
253.09271	28.7
253.13954	0.7
254.09583	1.7
256.13074	0.9
265.22018	0.4
275.20163	6.4
276.20523	0.6
289.18143	0.8
291.19818	2.0
293.21228	100.0
294.21552	9.7
305.21124	0.6
307.19086	0.8
309.20868	0.6
323.22235	0.8
341.23312	70.3
342.23639	6.5
346.03604	0.3
346.21448	0.3
492.21982	0.5
529.30188	2.0
577.32617	1.5
617.44208	4.5
618.44684	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02259	0.7
65.00194	0.8
71.01250	2.4
72.99180	0.6
74.96943	0.3
75.00359	0.2
75.00758	0.8
75.71516	0.3
83.01250	0.8
85.02832	2.4
87.00732	1.0
87.98303	0.2
89.02322	0.5
95.01263	0.7
99.00748	0.9
107.01254	1.4
109.02852	0.5
113.02313	1.9
117.01803	0.3
121.02860	0.7
125.70723	0.3
129.01801	0.4
133.02846	5.9
134.03209	0.4
137.20673	0.3
149.02365	1.4
151.00276	4.1
152.00630	0.3
161.02332	0.4
163.03905	0.4
171.04459	0.4
175.02567	0.6
175.03932	2.6
187.03896	0.3
192.62169	0.3
197.06039	0.3
198.03078	0.3
199.03918	1.9
200.04247	0.3
201.01913	0.6
213.05518	0.5
217.05025	1.0
240.04311	0.3
241.05049	0.8
243.03011	0.8
256.03879	0.4
257.04608	0.7
262.25873	0.3
284.03262	0.7
285.04041	100.0
286.04413	8.9
297.04086	0.4
303.79440	0.3
311.05576	0.3
327.04950	0.9
349.92719	0.3
357.06107	0.7
381.06253	0.3
461.07239	42.5
462.07587	5.7
575.92267	0.4
759.13245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99172	2.5
61.98688	3.3
69.50637	2.3
69.51067	3.9
71.01255	10.2
71.04893	11.2
72.99162	1.3
73.02809	2.3
75.00740	2.4
83.01234	2.3
85.02824	5.7
87.00730	1.8
89.02312	2.4
93.03327	1.8
99.00706	1.1
101.02314	4.8
111.00752	1.1
113.02338	6.6
116.92738	1.2
119.04920	1.1
119.08559	9.1
121.06499	1.0
122.82845	1.0
133.02846	3.7
134.03638	1.2
134.85425	0.9
135.04414	5.0
137.02318	2.8
145.02855	2.4
149.05997	1.2
161.02361	7.1
161.04408	1.8
162.02777	1.0
163.07581	1.6
175.11139	1.3
179.03471	4.7
180.04041	1.1
221.06631	1.4
257.15451	3.9
291.17700	3.0
307.20663	9.6
323.23679	1.7
325.21655	4.3
335.23734	1.4
341.24783	1.3
375.23358	1.4
387.21869	2.6
391.26462	6.2
392.26605	1.2
407.29599	18.2
408.29800	3.0
409.27444	1.7
425.30585	16.5
426.30954	3.3
469.29865	2.5
471.27594	4.2
487.30667	82.1
488.31033	12.1
489.32162	1.4
513.28168	1.7
517.32025	1.5
531.29529	19.0
532.29968	3.5
554.87177	1.2
573.30554	4.6
633.33447	1.6
693.35059	2.1
735.35504	4.7
807.33026	1.2
837.38489	1.6
855.40216	100.0
856.40552	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	855.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	7.8
69.03316	1.3
69.32238	1.1
70.91678	1.7
71.01254	30.2
71.80315	1.0
72.99184	19.5
73.02835	6.0
75.00741	24.2
78.95770	1.6
82.90480	1.1
83.01256	3.9
85.02818	21.4
87.00751	9.0
89.02299	8.7
93.03298	2.3
95.01254	4.8
96.95880	3.2
97.02819	3.6
99.00747	14.2
101.02324	12.1
103.00246	5.7
109.02860	1.8
111.00764	2.3
113.02336	30.3
115.00248	2.1
116.92733	3.9
117.01839	2.6
117.03360	3.1
119.04925	2.9
123.00776	1.2
125.02359	2.3
129.01833	3.2
131.03378	3.3
132.66315	1.2
133.02827	4.6
134.03633	1.5
135.04414	6.9
137.02335	4.4
143.03363	1.1
145.02827	5.7
149.02380	1.3
150.03142	1.2
157.01329	4.5
160.01601	2.0
161.02364	9.9
161.04449	1.6
162.02710	1.5
163.03899	2.6
167.03427	1.3
175.02316	3.2
175.03882	2.8
177.01904	2.7
179.03419	4.8
179.06996	1.1
193.03465	13.5
193.05086	1.9
199.02417	1.3
209.11752	2.0
217.03439	2.3
235.04553	1.4
265.05746	1.3
277.05597	3.0
289.83353	1.1
337.07748	48.4
338.08078	3.4
347.17261	1.5
348.36115	1.1
368.46051	1.1
383.99744	1.2
455.31525	1.6
473.32718	2.8
487.30841	2.7
499.30606	11.5
500.31543	1.8
517.31677	21.2
518.32080	2.8
560.17029	1.3
679.37195	2.7
693.23523	1.3
781.78479	1.2
855.40283	100.0
856.40747	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98713	7.9
69.03299	1.6
70.36262	3.7
71.01251	33.9
71.04886	1.3
72.99178	17.0
73.02821	7.5
75.00747	20.3
83.01257	2.8
85.02821	23.6
86.71381	1.3
87.00739	9.1
89.02312	8.6
90.67934	1.1
93.03351	2.5
95.01270	3.8
96.95895	1.9
97.02845	1.4
99.00757	12.7
101.02320	9.8
103.00235	5.2
108.02021	1.6
111.00778	1.9
113.02331	30.4
115.00265	1.9
116.92730	2.4
117.01836	4.0
117.03340	3.4
119.04883	3.9
121.02822	1.7
125.02322	2.7
127.00229	1.2
129.01817	2.8
131.03429	3.5
132.02058	2.1
133.01291	2.5
133.02847	4.3
134.03596	2.2
135.04428	6.2
137.02312	4.9
141.01797	2.0
145.02859	4.8
149.02319	2.0
157.01271	3.4
160.01634	7.4
161.02377	9.0
161.04485	1.4
163.02518	1.5
163.03883	4.2
175.02425	3.6
175.03914	6.7
177.01860	2.4
179.03445	6.8
193.03462	9.2
217.03442	2.2
235.04512	1.5
277.05792	1.6
337.07742	37.0
338.08145	2.6
348.17715	1.3
357.16888	1.4
455.31732	1.7
487.30539	3.5
499.30609	10.8
500.31488	1.9
510.28790	1.3
517.31708	20.5
518.32245	3.9
641.77490	1.4
679.37207	3.4
693.24060	4.5
828.97107	1.5
855.40283	100.0
856.40881	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	855.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	5.7
71.01242	3.0
71.31389	0.6
72.99201	0.3
73.02828	0.5
75.90253	0.4
78.95775	0.5
83.01255	0.4
85.02825	2.1
87.00774	0.3
89.02310	1.0
89.78938	0.3
94.37860	0.4
95.37164	0.3
96.95874	0.5
99.00737	0.5
101.02326	1.9
105.67180	0.3
113.02335	1.8
116.92715	0.4
119.03370	0.5
119.04905	0.5
133.02841	1.1
134.03651	0.4
135.04405	1.4
136.04730	0.4
145.02888	0.6
152.01019	0.8
160.01593	0.4
161.02365	2.6
161.04367	0.8
167.03391	1.1
179.03416	1.7
209.11761	1.4
211.13307	0.5
211.58063	0.3
227.12802	0.5
287.75266	0.4
294.35318	0.3
323.07687	1.2
374.42950	0.4
471.34784	1.6
485.36160	0.4
487.34427	1.1
501.32190	1.2
633.40063	100.0
634.40387	19.8
675.41229	2.0
676.41577	0.5
695.21039	0.4
795.45020	1.3
855.41150	1.8
856.41992	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98694	4.1
69.03339	2.0
71.01253	7.7
72.01625	1.1
73.02805	3.0
83.01244	1.1
83.04929	1.5
85.02817	7.4
87.00749	2.0
89.02324	4.8
89.98421	1.0
95.04941	1.1
97.02827	1.9
97.06457	4.5
98.20598	2.1
99.92459	3.5
101.02319	8.1
111.08064	8.0
113.02337	4.0
114.93232	1.3
116.92749	27.6
117.92746	2.8
125.09618	1.5
127.11176	1.6
137.09566	2.0
145.04956	1.3
161.04477	3.5
163.11179	2.3
165.12634	1.6
167.10641	1.6
171.10199	23.2
177.12744	1.8
179.10657	1.2
183.13800	3.8
185.11743	1.4
193.12337	1.3
195.13829	5.9
197.11705	2.6
209.11781	16.3
209.59598	1.1
210.12175	1.3
211.13356	15.4
221.11804	1.8
227.12819	2.3
229.14436	11.0
235.08191	7.0
239.12656	2.2
247.20677	2.3
253.09283	27.4
273.18607	1.7
275.20132	2.4
291.19669	91.8
292.19980	8.4
293.21265	9.0
307.19196	1.8
309.20758	12.3
310.20969	2.3
327.21771	100.0
328.22083	12.3
527.28760	1.9
562.57928	1.4
601.41840	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24999	0.4
61.98695	0.9
69.03320	2.9
71.01256	7.2
71.04842	0.6
71.64599	0.3
72.99152	0.6
73.02776	1.5
83.01239	1.1
83.04864	1.5
85.02824	10.0
85.06419	0.5
87.00755	1.9
88.98631	0.4
89.02319	4.2
95.01223	1.0
95.04862	1.0
96.95850	0.8
97.02831	4.3
97.06477	2.8
101.02333	6.4
109.06464	0.9
110.03591	0.7
111.00733	0.4
111.08051	5.2
113.02332	3.9
115.03919	0.4
117.44014	0.5
119.03345	1.4
119.08525	0.7
123.08042	0.7
125.09628	1.7
127.07541	0.5
127.11127	1.4
132.88556	0.4
133.04863	0.5
137.09634	3.4
143.03397	0.6
145.04965	0.8
151.11131	0.8
153.09123	0.6
153.12743	0.5
155.10609	1.2
155.28581	0.4
161.04482	2.7
163.11095	1.3
165.09094	0.5
165.12717	2.9
167.14252	0.9
169.12297	2.5
171.10185	29.1
172.10419	1.1
177.12714	0.9
179.05493	1.0
179.14363	0.5
181.12245	1.4
183.13835	3.4
185.11697	1.2
193.12210	1.4
193.15883	0.5
195.13753	0.4
197.11763	29.4
198.12108	1.9
199.13290	2.0
201.11162	1.2
203.10837	0.4
207.10074	0.4
209.11797	2.9
211.13338	20.2
212.13632	0.9
221.11821	2.7
223.13408	0.5
227.12859	2.4
229.14410	10.2
230.14713	0.7
235.08177	9.3
236.08600	0.4
239.12808	1.9
247.20653	1.8
253.09268	36.1
254.09579	1.4
263.20120	1.6
265.17972	0.8
273.18643	2.0
291.19659	25.6
292.19928	2.5
293.21237	1.6
309.20706	90.6
310.21075	7.3
327.21756	100.0
328.22092	7.6
328.25641	0.3
343.20929	0.9
383.87650	0.4
474.39145	0.4
487.34369	4.7
488.34525	0.6
527.28766	0.9
545.29730	5.3
563.30731	6.7
564.31012	0.6
619.41949	4.3
620.42365	1.1
726.10846	0.6
755.67444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94621	0.8
60.99181	7.9
61.98431	0.8
61.98701	5.9
69.29350	6.6
71.01249	7.6
71.04893	23.8
72.99182	1.3
73.02825	3.6
75.00748	1.9
78.95795	1.0
83.01297	1.6
83.04883	1.1
84.02045	0.9
85.02831	4.6
85.06459	1.2
86.00018	1.0
87.00755	1.9
88.98698	1.1
89.02320	2.3
99.00755	1.6
101.02315	3.8
106.04005	1.2
113.02330	5.3
117.03345	1.3
119.03394	0.8
119.04923	3.2
119.08569	2.5
121.02903	1.0
123.08037	1.0
133.02843	3.8
134.03625	1.3
135.04411	2.9
135.59337	0.7
137.02322	2.8
145.02863	7.4
148.79666	0.8
160.01561	1.2
161.02339	7.9
161.04453	1.0
163.03891	1.6
165.05534	0.9
175.03932	2.2
177.01891	1.8
177.05600	0.8
179.03392	3.6
183.51833	0.9
191.05469	0.8
235.06297	0.8
273.62195	0.9
305.22812	1.6
323.23914	2.0
386.24536	2.9
387.26004	0.8
391.30377	1.9
393.28207	1.9
399.25293	6.2
405.27457	1.2
409.30795	1.2
411.28790	1.0
423.29260	1.7
429.41034	0.8
453.30173	2.7
471.31149	50.6
472.31509	8.1
517.44318	0.8
533.31238	22.8
534.31592	3.5
549.23126	1.0
575.32117	5.2
635.37933	7.4
695.36157	1.3
726.48285	0.9
737.37720	6.3
738.37708	1.4
839.40546	1.4
857.41919	100.0
858.42218	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.418
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99180	4.1
61.98691	1.9
64.96226	0.7
65.32715	0.5
69.03297	0.8
69.46561	1.2
69.46974	2.7
71.01260	7.0
71.04893	29.5
72.05232	0.7
72.99171	1.4
73.02811	1.9
75.00742	1.4
83.01252	2.0
85.02836	4.5
85.06465	1.8
85.99978	1.1
87.00740	1.8
87.04392	0.6
88.03197	0.5
89.02306	3.3
89.31196	0.5
93.03344	0.9
95.01279	0.7
96.95863	3.2
99.00770	1.1
101.02332	4.4
113.02315	4.5
117.03354	1.1
119.03387	1.1
119.04912	1.1
119.08556	1.0
121.02769	0.6
123.04363	1.1
125.02280	0.8
131.03407	0.7
132.02083	1.6
133.02856	2.2
134.03618	2.5
135.04366	2.7
137.02325	2.3
145.02849	2.8
151.03995	0.6
157.10094	0.7
160.01549	4.5
161.02376	4.1
161.04462	1.4
163.03885	0.9
175.03893	6.1
177.01794	2.8
179.03401	2.6
193.04988	1.6
219.23543	0.6
230.11789	0.8
235.05969	0.8
255.11490	1.5
273.12399	0.7
289.11853	1.0
289.19653	1.5
305.22705	1.2
309.11505	0.6
315.95178	0.5
319.24466	1.1
323.23795	1.6
333.10849	1.1
337.09158	4.5
375.27002	1.0
379.26291	1.0
386.24722	1.6
391.30106	1.6
395.29437	1.3
399.25162	2.8
405.27905	1.3
409.31223	1.3
411.28976	1.3
423.29047	2.5
425.30661	0.8
441.30353	1.1
453.30072	2.6
471.31131	71.5
472.31479	9.8
515.30188	3.8
533.31146	22.2
534.31445	3.3
575.32294	9.5
576.32855	1.1
635.34515	2.8
695.36792	2.3
737.24829	1.2
737.37463	11.1
738.38147	2.3
839.40717	2.9
857.41846	100.0
858.29156	1.5
858.42395	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	857.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99181	8.4
61.98692	2.2
69.46868	7.0
71.01247	5.9
71.04890	37.5
73.02823	2.9
75.00741	2.3
83.01268	1.6
83.04885	1.2
85.02814	2.9
85.06482	2.3
87.00748	1.3
89.02316	3.7
91.59505	1.0
95.01264	1.5
96.95911	1.2
101.02322	3.1
113.02332	3.6
119.08513	1.5
133.02795	2.5
134.03583	1.3
135.04372	1.9
145.02847	3.6
160.01572	2.5
161.02310	2.2
175.03955	2.5
177.01851	4.2
179.03429	1.4
289.19608	2.2
305.22742	3.5
307.20721	1.1
323.23816	4.5
333.21869	1.1
373.28030	1.5
379.26263	0.9
386.24545	2.0
391.30234	1.7
395.29358	3.0
399.25357	3.5
409.31393	2.5
411.28992	1.5
423.29218	2.6
441.30429	1.5
453.30063	3.3
471.31140	97.3
472.31415	16.3
515.29993	4.7
533.31171	24.4
534.31622	6.0
557.07788	1.0
575.32245	9.3
576.32281	2.8
635.34222	1.8
667.37885	1.3
695.36609	2.5
710.76776	1.3
737.37610	12.9
738.37207	2.4
839.40710	3.0
840.40680	1.7
857.41809	100.0
858.42224	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	17.3
62.30146	0.4
68.87357	0.4
69.03299	0.5
71.01249	6.0
71.04881	0.8
71.52277	0.7
72.99175	0.5
73.02819	1.2
75.00760	0.7
76.96936	0.4
77.62115	0.5
80.37221	0.4
83.01234	0.8
83.41313	0.4
85.02825	2.8
87.00719	0.6
88.98701	1.0
89.02314	3.3
93.03297	0.6
93.48455	0.4
95.01274	0.8
96.95882	0.4
99.00758	0.9
101.02325	4.6
108.02068	0.5
109.02752	0.6
113.02328	8.3
116.92735	0.6
117.03361	1.0
119.03399	2.2
119.04926	2.4
119.83257	0.4
121.02803	0.5
123.04378	0.7
131.03374	0.8
133.02864	2.3
134.03630	0.5
135.04413	2.1
137.02336	1.9
143.03406	1.2
145.02885	2.8
150.03069	0.6
153.05444	0.4
160.01683	0.5
161.02353	7.0
161.04449	4.6
161.05870	0.7
163.03935	1.7
171.19966	0.4
179.03360	1.6
179.05627	1.0
183.78331	0.4
193.04956	0.8
195.06732	0.4
209.11710	0.5
235.06006	0.4
377.28513	0.5
409.31329	0.8
419.29697	0.6
421.30823	1.5
431.19449	0.5
441.33859	2.8
442.34167	0.7
443.31787	0.8
453.30072	0.6
457.32980	1.2
459.34933	0.8
473.32663	0.8
485.32715	8.1
486.32880	1.6
503.33765	100.0
504.34116	15.2
545.34589	3.9
546.35608	0.6
549.23352	3.9
575.35791	0.9
635.37866	1.3
649.39648	1.6
665.38873	3.2
677.35687	2.5
707.40253	2.6
797.43213	6.5
798.43756	2.0
857.31128	1.0
889.58832	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.6147
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	1.1
65.18919	0.1
73.02832	0.2
78.01539	0.2
84.94962	0.2
87.00785	0.2
88.98669	0.3
96.95885	0.1
98.20568	0.4
101.02271	0.2
101.63898	0.1
105.01817	1.1
116.92746	1.1
117.01828	0.3
117.92716	0.3
131.63953	0.2
161.02324	0.3
234.96492	0.1
291.19540	0.2
307.19232	0.2
423.32556	0.2
469.33331	0.5
486.33237	0.2
487.34274	100.0
488.34628	13.4
587.76599	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	10.0
62.84168	0.6
63.35741	0.6
69.15692	1.6
69.16093	6.4
70.47449	0.6
71.01257	6.2
71.04881	1.3
72.99166	1.6
75.00748	0.8
83.01263	1.0
85.02821	1.7
88.98690	2.6
89.02315	4.3
93.03325	2.1
95.01249	1.2
96.95876	1.5
101.02293	2.5
109.02749	0.9
109.03972	0.6
113.02310	2.2
117.03378	0.9
119.03342	0.7
119.04910	1.9
133.02817	1.5
134.03613	1.3
135.04408	1.1
136.05048	1.1
137.02330	2.0
138.02979	1.0
139.03862	0.8
143.03439	0.9
145.02875	4.0
150.03131	0.7
152.04532	1.7
161.02390	3.9
161.04506	0.8
163.03900	1.4
165.05443	0.9
175.03888	1.7
177.01743	0.9
179.03404	2.1
179.05617	4.0
187.60178	0.8
193.04999	1.2
209.11996	0.9
384.81616	0.8
393.68289	0.8
437.30759	4.3
455.31741	4.7
456.31958	1.5
473.32101	0.9
499.30573	3.5
517.31628	16.9
517.38763	1.3
518.31964	3.5
559.32971	0.9
679.36993	100.0
680.37317	22.3
681.37347	1.1
859.41119	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	859.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	0.7
69.03308	3.3
71.01255	24.3
71.04893	0.7
72.74986	0.4
72.99194	1.8
73.02823	4.2
76.02962	0.4
81.03331	1.2
83.01259	3.0
85.02831	6.7
85.06468	0.6
87.00742	5.6
89.02321	19.6
90.68935	0.4
93.03365	0.8
95.01265	1.6
96.48802	0.4
97.02825	5.1
99.00770	1.4
101.02327	17.9
109.06496	0.6
111.04421	0.9
113.02333	9.5
119.03403	5.5
121.02792	0.8
124.78535	0.5
125.02341	8.5
127.17628	0.5
131.03342	0.7
139.03903	0.8
141.01842	0.5
143.03406	3.2
148.05312	0.6
149.04456	0.9
153.09189	0.6
161.04483	4.3
167.03389	0.7
167.10678	2.9
179.05547	5.6
179.10721	1.1
179.14345	3.2
191.23204	0.4
195.13849	10.7
196.14168	0.7
205.12303	9.1
206.12675	0.6
217.07181	0.8
221.06609	1.7
223.13351	100.0
224.13722	7.6
229.65721	0.9
235.08199	6.3
245.06572	0.5
253.09204	1.0
253.21901	0.6
255.23274	74.3
256.23663	6.2
259.08365	0.8
263.07541	0.9
269.24872	0.6
287.07806	2.1
297.24341	0.6
305.08737	2.4
323.09897	2.3
361.11035	0.7
379.12454	11.7
380.12839	0.8
397.13501	59.8
398.13831	5.3
415.14575	10.8
416.14804	0.8
603.26660	7.4
604.27014	1.1
609.52698	0.5
621.27460	5.2
622.27753	1.1
635.36664	1.7
640.90411	0.5
653.37598	4.8
654.38037	0.8
791.79346	0.5
859.50983	3.0
860.50317	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	0.7
69.03332	2.1
70.53710	2.0
70.54074	0.7
71.01256	29.5
72.99185	2.9
73.02821	4.6
80.02582	0.8
81.03335	3.0
83.01271	3.1
83.04905	3.4
85.02827	7.0
87.00749	6.1
89.02320	23.4
95.01269	2.4
95.04890	0.9
97.02834	13.5
97.06350	0.7
98.19930	0.7
99.00781	3.1
101.02328	20.8
102.88810	0.7
107.32199	0.7
109.02821	0.8
109.06481	33.5
110.03558	1.6
110.06796	0.9
111.04384	1.2
112.56073	0.6
113.02331	12.6
119.03399	6.4
121.06500	1.5
123.04404	1.2
125.02358	8.5
125.09605	0.9
131.03438	1.3
135.08046	3.9
136.05170	1.0
137.53680	0.7
139.03975	1.0
141.01837	1.4
142.02602	3.2
143.03409	4.1
161.04480	4.1
161.09648	1.8
163.11208	18.2
163.12518	1.5
164.11494	1.1
165.28862	0.6
179.05489	5.8
179.10544	0.9
181.12306	3.5
189.09145	3.6
207.10213	100.0
208.10532	6.6
209.11749	1.8
217.07213	0.7
221.06631	1.8
225.11288	37.5
226.11568	2.4
226.84474	0.7
235.08138	5.9
243.12375	1.2
253.09247	1.8
255.23283	80.3
256.23627	7.4
263.07651	0.9
281.14044	1.1
287.07657	1.9
293.98492	0.7
299.14905	1.5
305.08740	2.8
323.09955	1.7
326.72711	0.7
379.12408	8.5
380.13083	0.7
397.13495	53.9
398.14084	4.4
415.14578	13.5
416.14963	1.1
419.35486	0.8
425.17554	0.7
443.19055	0.8
587.23157	1.5
605.24420	5.3
606.24884	1.2
623.25348	3.7
635.37067	0.9
653.37555	2.5
654.38000	0.9
843.46954	1.7
861.48480	57.9
862.48981	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	861.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	6.2
65.35480	0.5
69.03342	2.6
69.43695	3.9
71.01256	30.6
71.04897	2.3
72.01613	0.7
72.99178	2.3
73.02814	4.0
75.00745	1.9
80.02557	0.7
81.03336	3.9
83.01248	3.8
83.04880	2.5
85.02829	6.1
85.99956	0.6
87.00750	8.8
88.73064	0.5
89.02322	18.1
95.01268	2.0
97.02831	14.4
97.06464	2.0
98.19762	0.9
99.00758	21.4
101.02328	17.9
101.03008	0.7
103.03826	0.7
106.04089	0.6
107.04943	0.7
109.06477	19.7
110.03629	1.7
111.00792	0.6
111.04422	1.6
113.02323	10.8
115.03899	0.6
119.03404	4.9
121.02827	0.6
121.06504	1.7
123.04417	1.1
123.08046	1.4
124.01498	0.8
125.02340	9.8
125.09630	6.1
131.03409	0.7
135.08046	2.8
136.05202	2.1
139.03914	1.3
141.01868	1.7
142.02629	3.3
143.03458	3.3
145.10115	1.0
147.83408	0.5
149.04430	0.6
161.04475	3.5
161.09619	1.9
163.11197	20.3
164.11537	1.1
165.09167	0.5
179.05511	4.0
179.10715	1.2
181.12268	17.9
182.12569	0.9
189.09148	1.4
197.11678	0.9
199.06084	0.5
199.13356	2.0
203.05737	0.7
207.10208	98.5
208.10538	5.2
209.11774	1.9
221.06598	2.3
223.13458	0.6
225.11278	96.1
226.11610	6.4
230.79413	0.5
235.08200	5.8
238.16107	0.7
243.12370	26.5
244.12730	2.1
245.06688	0.8
253.09357	1.4
255.23277	96.6
256.23636	7.2
259.08102	0.5
263.07718	1.8
269.24902	0.9
269.45987	0.6
275.26248	0.6
287.07785	2.0
299.15076	1.1
300.93109	0.6
305.08914	2.1
317.16190	1.6
323.09882	0.9
361.11151	0.7
379.12457	7.7
397.13501	34.6
398.13782	2.8
415.14569	8.4
419.35464	0.6
452.93506	0.6
461.20471	0.8
532.73425	0.6
587.23413	1.0
605.24567	17.8
606.25134	2.5
623.25610	10.0
624.26025	1.4
653.37958	2.1
681.41534	0.8
843.47485	1.1
861.48535	100.0
862.48938	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	863.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99171	4.6
61.98706	100.0
65.21863	2.1
71.01245	8.8
71.51683	4.2
75.00748	28.5
78.95749	4.6
80.36279	2.3
87.74085	2.6
88.12358	2.4
88.93369	2.5
88.98692	20.3
89.02311	7.7
91.10499	2.5
97.06513	2.2
100.09869	2.5
101.02312	7.8
105.01765	2.6
113.02306	4.3
125.02312	4.0
179.05521	3.2
179.14325	2.5
195.13824	7.3
205.12335	4.3
209.11681	3.3
223.13354	92.8
224.13727	7.3
235.08092	3.0
330.17856	2.8
379.12512	4.8
394.10083	2.7
397.13492	28.3
415.14383	3.0
433.06366	2.4
487.34320	4.8
543.97058	2.8
603.26624	14.9
621.27716	21.7
622.28082	3.5
658.18494	2.6
809.39160	7.0
827.40314	14.0
828.39966	5.4
863.38232	40.7
864.38367	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	863.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98688	0.5
69.20256	1.3
69.20670	1.4
71.01250	17.8
72.01584	0.3
72.99177	1.9
73.02820	2.4
83.01254	1.3
85.02819	5.2
87.00736	0.9
89.02314	16.6
93.03320	1.1
93.99042	0.3
95.01265	1.4
95.93262	0.3
99.00162	0.6
99.00752	6.0
100.30422	0.3
101.02319	11.2
108.02057	0.5
109.02837	0.5
113.02332	8.5
119.03389	6.2
121.02850	0.4
121.10123	0.7
121.46738	0.3
123.04430	0.4
131.03375	0.8
133.02855	0.8
135.04385	1.1
137.02336	1.8
143.03375	0.5
149.04451	2.2
152.01071	0.8
153.01848	0.3
161.02332	1.4
161.04411	1.6
163.03848	0.3
165.03867	0.3
165.09117	6.2
165.54465	0.3
179.03343	0.8
183.10187	1.1
191.05508	1.6
205.12393	0.4
233.06622	1.1
284.03052	0.3
285.04019	1.0
293.08749	0.5
345.15527	100.0
346.15829	9.0
347.16879	0.4
407.16541	0.3
461.06976	0.5
463.53314	0.4
464.14450	0.4
517.22858	7.8
518.23395	1.0
767.43805	0.4
769.57928	0.3
831.20966	0.6
863.25128	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25680	3.4
61.98664	5.5
65.49483	3.5
70.19269	8.3
78.95776	100.0
80.96400	4.7
96.96846	17.9
113.01473	3.6
136.00038	3.6
152.99486	12.7
179.99335	3.7
197.11794	19.6
211.13403	6.0
223.00043	6.2
236.34294	4.0
241.01202	21.9
255.23300	43.9
291.19647	4.9
309.20673	5.6
391.22183	4.1
530.52771	4.5
561.16882	4.3
863.49316	49.6
864.49481	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	863.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	0.5
71.01244	0.7
78.95774	51.6
80.96395	1.0
83.04893	0.4
96.10269	0.3
96.96838	11.5
97.06465	0.6
97.50257	0.3
98.02156	0.3
98.19730	0.5
109.13046	0.4
111.08047	2.9
125.09570	0.4
134.98412	0.7
151.11214	0.4
152.99490	12.5
169.12311	1.7
171.10196	1.0
185.11668	0.4
197.11752	14.5
198.12106	0.6
199.13194	0.5
209.11772	1.5
211.13347	3.8
223.00111	3.7
227.12711	0.4
231.64232	0.4
239.12907	0.4
241.01143	23.4
242.01414	0.5
255.23265	29.6
256.23694	2.2
259.02338	1.8
263.20120	0.8
291.19666	3.7
297.03787	0.8
309.20694	5.7
315.04959	0.5
391.22418	3.0
392.22787	0.4
397.13495	0.9
445.19904	2.2
460.98370	0.4
477.57037	0.4
553.27625	2.4
571.28998	0.8
607.25061	1.2
699.45898	0.5
701.43842	0.6
776.51392	0.6
863.49243	100.0
864.49628	18.8
864.95618	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	0.5
69.03313	1.1
69.51868	1.6
71.01254	17.9
72.01600	0.2
72.99157	1.2
73.02824	3.1
75.00734	0.5
76.69491	0.2
80.02541	1.2
81.03329	2.1
83.01250	2.1
83.04895	5.4
84.02045	0.8
85.02820	4.2
87.00755	4.3
87.04424	0.3
89.02321	14.5
93.03310	0.3
95.01276	1.6
95.04906	0.7
97.02834	3.0
97.06483	0.3
99.00770	1.3
99.04363	0.3
101.02325	12.5
109.02835	0.4
109.06407	0.3
111.00760	0.4
111.04404	0.5
113.02330	6.8
119.03397	4.1
121.02876	0.3
123.00727	0.2
124.01565	0.3
125.02334	6.2
125.05914	0.4
127.03830	0.4
131.03427	0.5
133.04977	0.4
135.08047	0.7
139.03915	0.4
143.03403	2.5
145.04930	0.2
147.11766	0.3
149.04451	0.5
160.86215	0.3
161.04468	3.4
163.11206	3.1
164.11636	0.2
165.12750	2.8
167.03403	0.3
179.05533	3.6
180.05826	0.2
181.12306	0.5
191.10667	0.9
196.89970	0.2
199.06027	0.5
207.10184	0.4
209.11772	100.0
210.12115	5.9
217.07152	1.0
219.05164	0.2
221.06682	1.2
227.12845	12.6
228.13126	1.1
235.08183	5.4
235.10449	0.4
245.06644	0.5
251.12885	0.4
253.09344	1.4
255.23273	52.9
256.23636	4.5
259.08231	0.6
263.07678	0.7
269.24817	0.6
281.36996	0.3
287.07678	1.5
305.08807	1.7
323.09830	0.9
334.47470	0.2
361.11084	0.3
379.12430	7.5
380.12790	0.5
397.13495	37.6
398.13834	3.1
415.14560	8.5
416.14932	0.6
536.02551	0.2
589.25470	0.6
607.26257	0.9
635.36975	0.4
653.37659	1.8
863.48840	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	0.4
68.99697	0.3
69.03326	1.0
70.53146	0.7
71.01254	17.7
72.99171	1.6
73.02820	2.7
80.02549	1.2
81.03335	2.0
82.11153	0.3
83.01261	2.3
83.04903	5.1
84.02048	0.9
85.02830	4.4
87.00748	4.5
89.02318	15.0
93.03339	0.4
95.01274	1.5
95.04900	0.6
97.02819	2.9
97.53474	0.2
99.00784	1.0
99.04398	0.3
101.02324	12.4
101.27550	0.2
109.02840	0.5
109.06544	0.3
111.00745	0.3
111.04384	0.4
113.02333	7.9
113.03078	0.6
115.03879	0.3
119.03386	4.1
125.02335	6.0
125.05968	0.4
125.09602	0.4
127.03899	0.3
129.25711	0.3
131.03409	0.6
133.05008	0.5
135.08064	0.8
139.03885	0.8
141.01825	0.3
143.03429	2.7
143.13098	0.3
145.04919	0.3
147.11671	0.4
149.04463	0.3
161.04477	3.6
163.11201	3.7
165.12799	2.1
167.03415	0.4
177.77211	0.3
179.05502	2.6
181.04927	0.4
181.12206	0.5
191.10704	1.0
199.06029	0.7
207.10349	0.3
209.11772	100.0
210.12093	5.0
214.71179	0.3
217.07082	0.8
221.06650	1.5
224.81122	0.3
227.12839	12.5
228.13246	0.4
235.08191	5.6
245.06631	0.4
247.70093	0.3
251.12889	0.4
253.09261	0.9
255.23274	56.0
256.23596	3.6
259.08148	0.5
263.07785	0.5
269.24927	0.5
277.09314	0.4
287.07681	1.8
305.08871	1.9
323.09842	1.0
334.79144	0.3
364.85144	0.3
379.12433	7.3
380.12701	0.5
396.22305	0.3
397.13480	40.9
398.13757	2.6
415.14594	7.8
416.14960	0.8
490.15826	0.3
543.32098	0.4
589.24951	0.5
607.26257	0.7
635.37103	0.4
653.37384	1.3
653.68243	0.3
863.49591	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98684	1.2
69.03351	1.0
70.03239	1.0
71.01257	14.4
72.01589	0.5
72.99171	1.2
73.02838	2.1
78.95773	0.5
80.02546	1.4
81.03326	1.9
83.01270	1.9
83.04901	5.9
84.02032	1.0
85.02828	3.6
87.00755	3.4
89.02322	12.6
93.03328	0.4
95.01254	1.0
97.02848	2.6
99.00771	0.7
101.02322	10.0
102.02695	0.4
109.06478	0.6
113.02324	5.5
119.03391	3.2
119.04914	0.4
125.02346	4.6
125.05926	0.6
135.08052	0.8
137.18744	0.4
143.03435	2.3
145.02890	1.2
161.04503	3.2
163.11217	4.8
165.12741	2.5
169.19107	0.4
179.05565	3.5
181.12265	1.0
191.10701	0.7
207.10236	1.8
208.10469	0.5
209.11774	100.0
210.12119	4.9
211.07635	0.6
217.07127	0.7
221.06659	1.5
225.11333	1.5
227.12839	11.8
235.08215	4.0
251.12962	0.6
253.09319	0.6
255.23273	43.3
256.23654	3.6
287.07687	1.8
290.47144	0.4
305.08856	1.4
323.09894	0.6
376.15143	0.4
379.12433	6.9
397.13507	31.7
398.13858	2.6
399.13892	0.6
415.14554	6.4
589.25342	0.7
607.26099	1.1
653.37439	0.8
737.87659	0.4
825.43152	0.5
863.49860	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	863.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01596	0.3
63.73259	0.3
64.46307	0.3
69.03327	0.7
69.32224	1.3
69.32647	1.2
71.01254	15.7
72.99162	1.3
73.02812	2.7
80.02540	1.0
81.03329	1.7
83.01260	2.7
83.04897	4.5
84.02048	0.6
85.02823	3.3
87.00756	3.8
88.01128	0.3
89.02317	15.5
90.02692	0.3
90.20141	0.3
95.01259	1.0
95.04924	0.7
97.02847	2.5
98.19830	0.6
99.00745	1.3
101.02322	13.1
109.02856	0.3
111.00716	0.3
111.04419	0.6
113.01543	0.3
113.02328	6.6
114.02711	0.3
115.03897	0.5
119.03390	3.8
119.19562	0.3
125.02341	6.0
125.06033	0.5
131.03383	0.6
133.04985	0.4
135.08054	0.6
139.03943	0.4
143.03426	3.2
149.04440	0.6
158.56456	0.3
160.75433	0.3
161.04460	3.1
163.11206	3.8
165.12785	2.1
167.03362	0.3
179.05522	4.1
181.04996	0.4
181.12315	0.6
185.04439	0.4
191.10661	1.2
199.06140	0.6
209.11766	100.0
209.31697	0.3
210.12077	5.8
217.07126	1.4
221.06606	1.4
227.12846	12.8
228.13188	0.7
235.08195	5.5
245.06641	0.4
251.12840	0.7
253.09224	0.7
255.23267	55.0
256.23602	4.3
259.08118	0.3
269.24820	0.7
287.07764	1.9
297.24332	0.4
305.08731	2.1
323.09790	1.1
379.12445	8.5
380.12717	0.8
397.13483	41.1
398.13846	3.2
415.14609	8.5
416.14853	0.5
571.54089	0.3
589.25311	0.4
607.26581	0.7
627.40906	0.4
635.36652	0.4
653.37518	1.4
656.53845	0.3
712.90814	0.3
714.69592	0.3
760.45459	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98707	12.5
65.81345	1.0
69.03333	2.6
71.01253	21.0
72.99193	2.6
73.02827	3.2
75.00779	1.1
78.95786	2.0
80.02549	2.0
81.03326	5.0
83.01266	3.5
83.04881	9.8
84.02042	1.1
85.02824	5.0
87.00773	4.8
89.02317	17.9
93.03323	1.4
95.01289	1.5
95.04890	1.8
96.95883	2.4
97.02827	9.7
98.19785	3.6
99.00769	3.4
101.02317	16.3
107.04936	1.1
109.02827	2.4
109.06477	28.5
110.03622	1.4
110.06786	1.2
113.02336	10.9
119.03413	3.4
119.04919	1.7
121.02840	1.9
121.06496	2.2
123.04370	1.5
125.02333	5.5
125.09618	3.3
126.90329	1.0
131.48219	0.9
133.02869	2.3
135.04404	3.5
135.08069	4.8
137.02370	2.7
139.03951	1.3
142.02597	3.4
143.03416	2.4
145.02838	1.3
156.33876	1.0
161.02322	4.5
161.04485	3.4
161.09639	3.7
163.11200	20.7
164.11687	1.3
165.12714	3.2
167.03381	1.6
179.03336	2.3
179.05510	3.9
179.10712	1.1
181.12288	5.5
191.10658	1.6
207.10210	73.9
208.10559	4.3
209.11769	100.0
210.12225	6.9
210.13965	1.2
221.06668	3.0
225.11266	38.4
226.11665	2.1
227.12828	12.6
235.08188	4.0
261.63184	1.0
263.13120	1.4
265.14407	1.2
287.07166	1.1
299.14877	1.7
305.09012	1.5
379.12625	3.0
397.13538	29.3
398.13342	1.3
399.21521	2.8
415.14444	9.3
417.22842	3.4
439.11536	1.1
455.31827	2.4
605.24530	5.1
607.25769	1.8
623.25891	5.7
797.35962	16.5
798.35760	2.9
815.37195	17.4
816.37476	4.3
833.38080	34.2
834.38159	7.4
865.51624	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	866.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55220	0.1
61.98703	100.0
62.98398	0.2
69.79920	0.5
71.01253	0.1
80.96379	0.2
83.30058	0.1
89.02312	0.2
98.20479	0.2
101.02348	0.1
171.10211	0.3
201.11331	0.1
209.11855	0.3
210.12193	0.2
253.09335	0.1
255.23380	0.4
256.23608	0.2
292.20013	0.1
293.21213	0.1
397.13428	0.1
399.14117	0.1
411.06805	0.1
441.85208	0.1
503.29837	0.1
775.58777	0.1
866.50330	0.2
867.46570	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	867.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	2.7
69.03320	0.9
71.00140	1.2
71.00848	0.6
71.01251	10.0
71.92471	0.5
72.99187	1.3
73.02816	1.1
79.43159	0.5
80.02538	1.1
81.03317	1.8
83.01240	1.1
83.04895	5.2
84.02061	0.8
85.02824	2.4
87.00756	2.2
88.98684	0.7
89.02317	8.5
93.03340	0.8
95.04931	0.9
97.02828	1.1
99.00757	1.6
101.02323	6.9
103.68999	0.5
109.06569	0.4
111.04421	0.6
113.02329	3.8
116.92727	2.0
119.03374	2.1
119.04910	0.7
123.04441	0.5
125.02353	2.3
133.02832	1.4
135.04445	0.9
135.08090	0.6
137.02339	0.8
143.03461	1.1
145.02843	1.2
149.02376	0.5
161.02393	2.8
161.04495	2.0
163.03978	0.8
163.11201	4.3
165.12804	2.8
171.10133	0.5
179.03418	1.7
179.05562	1.6
179.88388	0.4
181.12247	1.1
191.10678	1.2
209.11769	100.0
210.12135	6.3
221.06613	0.9
225.11229	0.8
227.12819	15.4
228.13205	0.8
229.89775	0.4
235.08232	2.2
263.07642	0.5
287.07690	0.9
305.08652	1.0
323.10022	0.7
379.12357	2.8
397.13480	20.1
398.13858	2.0
415.14603	5.0
501.32019	1.6
589.25104	0.6
607.25726	1.8
867.42639	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	16.5
69.33533	3.8
71.01261	5.3
73.02815	1.8
75.00789	0.6
78.95777	1.3
80.96360	0.6
83.01258	1.1
85.02828	3.1
87.00713	0.8
88.98697	1.6
89.02316	1.5
95.01241	0.5
96.95889	1.3
97.02827	0.6
99.00757	0.6
99.92506	0.5
101.02323	5.0
113.02327	3.5
116.92742	6.3
117.03307	0.6
119.03398	0.8
125.02363	0.8
131.03406	0.9
133.02841	2.2
135.04416	1.5
137.02313	1.2
145.02858	0.8
149.18265	0.5
161.02362	3.6
161.04469	1.5
175.03885	0.7
179.03438	2.1
183.13902	0.8
203.05540	2.1
207.10248	0.8
209.11790	1.4
213.15021	2.6
214.15326	0.6
221.06651	0.5
221.49092	0.5
225.11319	0.7
397.13589	0.6
487.34296	100.0
488.34644	15.8
529.35248	3.0
653.41437	0.7
823.44543	1.1
835.39337	1.1
867.42853	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	867.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98708	7.4
70.90089	2.0
71.01263	18.4
73.02829	3.1
78.95795	2.0
81.03337	1.4
83.01272	2.2
85.02840	3.6
86.50335	1.0
87.00758	3.5
89.02326	15.2
91.43675	1.1
92.96085	1.2
95.01250	2.1
95.57939	1.1
97.02853	3.9
101.01704	2.0
101.02328	15.9
113.02348	9.0
119.03403	4.9
121.72195	1.1
125.02351	7.2
125.09606	1.9
127.11187	1.8
143.03406	2.9
161.04448	3.9
171.10188	100.0
172.10556	6.0
179.05518	3.7
199.06148	1.3
217.07152	2.2
221.06534	1.3
230.79305	1.2
235.08221	7.7
253.09329	1.6
255.23280	71.2
256.23605	5.6
287.07797	2.2
293.21268	1.8
295.22803	3.2
305.08850	1.6
361.11221	1.4
379.12509	19.6
380.12701	2.2
397.13498	41.0
398.13748	3.9
415.14673	7.0
551.23224	3.5
569.24371	2.2
635.36206	3.7
653.37579	6.6
751.83191	1.4
867.47626	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	868.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98405	0.2
70.99670	0.1
77.77990	0.0
79.95599	0.1
80.96394	0.2
88.19327	0.0
95.58826	0.1
128.07625	0.1
211.13416	0.1
277.21844	0.1
285.09296	0.1
293.21240	0.1
294.21655	0.1
296.22147	0.1
457.79373	0.1
705.88025	0.1
869.47388	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	25.6
69.36377	16.3
71.01252	20.6
72.99198	3.3
73.02847	5.6
74.96581	2.4
80.04933	10.2
82.02856	3.1
83.01236	3.9
85.02835	8.2
87.00758	2.5
89.02296	6.3
93.03365	3.6
94.06525	4.4
95.01282	5.5
96.95882	14.1
98.20500	5.2
101.02333	14.7
104.04900	2.8
106.02856	3.2
106.06502	49.7
108.02007	3.6
108.04428	33.1
109.02837	4.8
111.00785	3.6
113.02330	11.0
116.92755	11.1
119.03450	5.7
119.04932	7.3
120.04443	6.4
121.02851	3.7
121.32310	2.6
122.05984	20.4
122.33028	2.2
123.04428	4.0
124.07573	24.7
131.44922	2.2
132.04449	3.3
133.02846	7.0
134.06010	12.5
135.04396	11.2
136.03938	5.9
137.02353	6.4
138.05467	2.6
145.02831	6.4
148.03946	56.6
149.04448	3.2
150.05481	16.0
151.03938	2.9
152.01018	3.0
152.07056	8.8
160.04080	3.2
161.02396	14.5
161.04558	5.5
162.05525	3.5
163.03870	6.3
164.03461	6.1
166.04990	9.6
168.06586	8.8
177.01819	2.9
179.03438	9.2
194.04532	5.5
197.07040	3.1
199.08710	3.1
199.12396	4.0
201.11302	4.3
209.02524	2.9
209.11838	2.5
210.07907	3.5
211.08511	2.5
212.09486	5.8
213.10254	5.2
215.08160	3.4
215.11856	14.0
224.09625	4.7
225.10338	10.2
227.08228	3.2
227.11819	34.5
228.12279	3.2
229.13432	5.6
231.11320	10.4
237.10190	3.6
239.08273	9.6
239.11827	3.9
240.09068	8.7
241.09708	14.7
243.11343	16.0
245.12999	2.7
251.08122	4.4
251.11812	2.8
252.09010	32.5
253.07106	5.3
253.09776	100.0
254.10100	8.1
255.11310	16.4
257.12918	5.7
264.73688	2.7
265.09866	4.2
266.10510	2.9
267.08441	3.7
267.11383	32.8
269.12918	10.7
273.12463	50.5
279.07776	10.7
280.08334	2.9
281.09308	3.0
291.13409	9.5
293.09351	3.4
295.10880	57.4
296.11090	3.4
299.10287	5.3
311.10306	10.6
313.11896	42.0
317.11462	5.9
335.12314	3.1
339.09775	8.3
341.11377	7.3
371.12537	6.6
399.11969	6.1
485.32834	6.5
488.14655	3.6
502.32407	3.1
503.33737	54.9
504.34076	3.5
545.34967	8.8
571.22076	7.0
595.21875	8.3
613.22937	35.9
614.23053	6.7
629.22388	5.0
630.23865	4.0
631.24152	23.4
632.24402	4.1
639.21075	8.4
645.25494	8.4
646.25226	3.9
647.23303	5.0
647.38068	3.5
657.22229	9.5
658.22388	3.8
663.26569	19.8
664.27264	3.3
671.24017	14.4
675.23352	19.9
676.23444	3.9
689.24146	22.4
690.25092	4.8
707.25769	30.1
708.25531	2.8
775.28351	5.4
793.30005	12.9
794.29779	3.7
807.30652	3.6
819.27655	6.3
823.03088	2.9
825.32532	8.6
837.28473	18.5
838.27722	3.4
851.29810	3.1
869.30353	48.1
870.30707	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	869.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99165	3.1
61.98699	6.6
69.03295	1.1
71.01253	61.7
71.04891	5.6
71.31056	1.2
72.99187	5.0
73.02440	1.8
73.02820	20.2
75.00743	2.1
78.95763	1.0
83.01254	13.8
83.04891	1.3
84.64709	1.0
85.02827	25.7
87.00752	4.3
89.02315	14.8
93.03321	2.1
95.01263	6.1
96.95891	3.9
97.02802	2.1
99.00758	12.0
101.02325	68.6
108.02055	1.3
113.02338	31.7
115.00298	1.5
117.03314	1.4
119.03403	3.6
119.04916	2.9
121.02835	1.0
123.04406	1.0
125.02345	3.9
131.03418	2.7
133.02844	3.4
134.03641	1.9
135.04385	4.6
137.02328	2.1
143.03386	3.1
145.02890	4.8
149.04465	2.1
152.01022	1.1
159.02983	4.4
159.04134	1.0
160.01576	1.8
161.02434	6.6
161.04465	26.3
161.05833	1.4
162.04739	1.2
163.03870	2.2
165.05458	1.2
165.09062	1.8
171.10197	1.8
175.03889	2.0
179.03407	2.4
179.05501	1.8
188.31502	1.1
191.05530	2.1
201.11208	2.6
203.05609	2.9
205.03351	1.2
207.10089	1.5
209.11784	6.9
221.04594	1.4
221.06569	2.7
227.12706	1.3
237.11220	1.0
263.07660	5.5
351.27084	1.1
355.26404	1.1
375.20200	4.8
397.13412	2.0
406.31290	1.0
409.30930	1.2
413.26794	1.6
423.32697	4.1
439.32187	2.0
441.33841	14.5
442.00183	1.0
443.31625	3.1
455.31790	2.4
457.33170	3.7
458.33319	1.3
459.18448	3.4
461.19131	1.5
473.32785	9.0
477.19632	1.1
485.32742	20.4
486.32925	2.5
489.35269	1.3
503.33804	28.8
504.34088	3.6
517.35046	3.8
545.34924	10.9
588.30432	1.1
601.36890	1.4
602.38019	2.0
603.39014	100.0
604.39368	14.9
635.37885	17.9
636.38000	2.9
647.37787	5.0
689.39069	16.3
690.39447	2.8
715.27002	1.2
719.39954	1.8
869.38409	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	0.4
69.03323	0.3
69.38738	1.1
71.01254	5.8
71.04891	1.2
72.99170	0.3
73.02820	3.9
74.84991	0.2
75.00736	0.2
81.03345	0.2
83.01252	1.9
83.04898	0.2
85.02829	1.2
85.69281	0.2
87.00732	0.5
89.02318	1.7
95.01284	0.2
97.02842	0.3
99.00755	0.4
99.04446	0.1
101.02322	14.5
102.02642	0.3
102.84373	0.1
109.02847	0.2
111.00735	0.1
113.02336	2.0
119.03374	1.6
125.02319	0.7
131.03435	1.1
137.02386	0.3
139.07475	0.2
143.03413	1.4
149.04518	0.2
155.03387	0.6
159.37744	0.2
161.02341	0.6
161.04443	1.9
175.04037	0.2
179.03407	0.2
179.05576	0.4
203.05537	3.5
221.06610	0.7
253.05476	0.2
263.07693	0.6
305.08878	0.1
377.28009	0.2
379.29971	0.2
387.29105	0.3
393.31677	0.2
395.29971	0.2
401.28137	0.2
407.29520	0.2
409.31247	0.2
419.29538	0.5
420.30148	0.2
421.31210	0.7
423.28995	0.3
437.30688	0.3
439.32233	0.4
443.31693	1.0
453.30130	0.7
457.33588	0.2
459.34845	0.6
471.31046	0.2
473.32544	0.2
485.32748	9.6
486.33130	1.5
499.34344	0.2
503.33780	100.0
504.34125	15.3
517.35388	0.6
545.34845	10.8
546.35272	2.2
575.35968	0.3
587.35986	0.6
605.36743	0.4
647.38196	0.5
689.40320	0.4
749.41260	0.3
827.43677	0.2
852.09698	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99165	3.1
61.98699	6.6
69.03295	1.1
71.01253	61.7
71.04891	5.6
71.31056	1.2
72.99187	5.0
73.02440	1.8
73.02820	20.2
75.00743	2.1
78.95763	1.0
83.01254	13.8
83.04891	1.3
84.64709	1.0
85.02827	25.7
87.00752	4.3
89.02315	14.8
93.03321	2.1
95.01263	6.1
96.95891	3.9
97.02802	2.1
99.00758	12.0
101.02325	68.6
108.02055	1.3
113.02338	31.7
115.00298	1.5
117.03314	1.4
119.03403	3.6
119.04916	2.9
121.02835	1.0
123.04406	1.0
125.02345	3.9
131.03418	2.7
133.02844	3.4
134.03641	1.9
135.04385	4.6
137.02328	2.1
143.03386	3.1
145.02890	4.8
149.04465	2.1
152.01022	1.1
159.02983	4.4
159.04134	1.0
160.01576	1.8
161.02434	6.6
161.04465	26.3
161.05833	1.4
162.04739	1.2
163.03870	2.2
165.05458	1.2
165.09062	1.8
171.10197	1.8
175.03889	2.0
179.03407	2.4
179.05501	1.8
188.31502	1.1
191.05530	2.1
201.11208	2.6
203.05609	2.9
205.03351	1.2
207.10089	1.5
209.11784	6.9
221.04594	1.4
221.06569	2.7
227.12706	1.3
237.11220	1.0
263.07660	5.5
351.27084	1.1
355.26404	1.1
375.20200	4.8
397.13412	2.0
406.31290	1.0
409.30930	1.2
413.26794	1.6
423.32697	4.1
439.32187	2.0
441.33841	14.5
442.00183	1.0
443.31625	3.1
455.31790	2.4
457.33170	3.7
458.33319	1.3
459.18448	3.4
461.19131	1.5
473.32785	9.0
477.19632	1.1
485.32742	20.4
486.32925	2.5
489.35269	1.3
503.33804	28.8
504.34088	3.6
517.35046	3.8
545.34924	10.9
588.30432	1.1
601.36890	1.4
602.38019	2.0
603.39014	100.0
604.39368	14.9
635.37885	17.9
636.38000	2.9
647.37787	5.0
689.39069	16.3
690.39447	2.8
715.27002	1.2
719.39954	1.8
869.38409	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99177	0.1
61.84871	0.1
61.98705	0.5
68.99696	0.1
69.03329	0.2
69.12854	0.1
71.01250	7.6
71.04881	0.2
72.01614	0.1
72.99185	0.5
73.02817	4.7
75.00741	0.4
77.02712	0.1
79.01707	0.1
81.03336	0.3
83.01252	2.7
83.04888	0.2
85.02821	1.2
85.77946	0.1
87.00757	0.6
89.02322	1.7
92.52757	0.1
95.01266	0.3
97.02824	0.5
99.00757	0.5
99.04412	0.2
101.02323	15.8
102.02657	0.4
109.02848	0.1
111.00764	0.2
111.04356	0.2
113.02335	2.3
116.92794	0.1
119.03385	1.7
119.04960	0.1
125.02342	1.1
125.25058	0.1
127.03937	0.1
129.26300	0.1
131.03378	1.1
133.02808	0.2
135.04420	0.2
137.02307	0.2
143.03377	1.4
145.02753	0.2
149.04462	0.5
149.05969	0.3
155.03383	0.9
161.02335	0.3
161.04468	2.6
172.50043	0.1
179.03423	0.3
179.05486	0.2
191.03484	0.1
191.14397	0.1
203.05536	5.0
204.05783	0.1
217.03404	0.1
221.06581	1.2
251.46771	0.1
263.07733	1.4
305.08725	0.4
328.15616	0.1
343.24326	0.1
357.25864	0.2
359.27588	0.2
363.26926	0.1
365.47012	0.1
373.25226	0.2
377.28342	0.3
379.30115	0.4
387.26907	0.2
389.28418	0.3
391.25900	0.2
391.30154	0.4
393.31775	0.4
401.28497	0.6
402.28711	0.1
403.30121	0.2
407.29523	1.1
408.29700	0.2
409.31320	1.8
410.31406	0.3
417.28012	0.4
419.29642	0.6
420.29962	0.1
421.31076	2.5
422.31189	0.3
423.32953	0.2
425.30667	0.8
435.28970	0.3
437.30551	0.4
439.32016	0.6
441.33777	5.3
442.33890	0.7
453.30008	0.7
455.31763	0.4
457.33221	2.9
458.33472	0.4
459.34698	0.1
467.31958	0.2
473.32724	3.2
474.33014	0.4
485.32755	3.6
486.33307	0.5
491.69879	0.1
494.99628	0.1
499.34372	0.3
503.33759	100.0
504.34106	14.2
513.32458	0.2
517.35712	0.8
518.35620	0.2
525.32306	0.3
545.34827	16.8
546.35144	2.5
557.34613	0.2
575.35840	0.8
576.36090	0.2
587.35699	0.5
605.36621	0.9
617.37579	0.1
632.33850	0.1
647.37915	0.4
689.39178	0.2
707.40314	0.2
749.41064	0.3
791.42670	0.2
869.45001	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	62.6
63.99128	3.4
66.67391	1.7
69.03329	1.5
71.01244	6.7
73.02777	1.7
78.98470	7.0
79.95608	42.1
80.96394	70.9
85.02812	1.9
87.00785	2.7
94.97950	16.8
97.02818	2.1
106.97945	2.5
112.91478	1.3
115.54261	1.5
122.97441	2.3
125.02342	2.8
134.97461	5.1
148.99007	5.3
152.98552	6.4
164.98543	10.8
171.10141	2.3
206.99626	5.8
225.00729	23.1
283.05045	3.8
295.22803	1.6
308.04785	1.7
388.83231	1.5
397.13132	1.9
575.25366	2.0
647.27551	2.1
661.28705	1.6
869.47223	100.0
870.47583	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.527
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59007	0.4
61.98705	4.1
69.03319	2.6
71.01248	7.8
71.01610	0.5
71.04857	0.5
72.99177	0.5
73.02837	1.0
80.02576	0.4
81.03368	0.5
83.01262	0.9
83.04900	1.5
84.02037	3.2
85.02808	2.1
87.00777	1.3
89.02317	5.9
90.82487	0.4
91.03896	0.4
95.04958	0.5
96.95885	2.1
97.02824	4.6
97.06469	9.6
99.00783	0.4
99.04408	0.9
101.02325	5.7
101.02938	0.6
107.04882	0.5
109.06492	0.9
111.08055	6.4
113.02324	3.1
116.92763	3.1
119.03408	1.7
119.04935	0.4
119.08559	0.5
121.10180	0.5
125.02328	0.5
125.09612	3.5
127.07576	0.6
137.09612	1.9
141.09027	0.4
143.03413	0.7
145.04968	0.7
146.04482	0.6
149.09700	0.4
149.12144	0.4
151.11188	1.2
153.09123	0.7
153.12778	0.6
155.10727	0.5
161.04472	3.3
163.11223	1.4
165.12767	3.0
167.14395	0.5
169.12221	2.3
171.10182	16.2
171.11662	0.8
172.10568	0.7
175.11192	0.9
177.12807	0.8
179.05566	1.4
179.10725	0.6
181.12219	1.6
183.13858	1.1
185.11768	0.7
193.12289	12.9
193.15956	0.5
194.12648	0.6
195.13756	0.6
197.11768	27.8
198.12115	1.7
199.13364	1.6
203.24628	0.4
209.11739	1.8
211.13348	9.8
212.13744	0.8
217.31886	0.4
221.11752	1.3
223.13368	0.9
225.14906	14.6
226.15327	0.7
227.12842	2.5
229.67577	0.4
229.69485	0.4
235.08200	3.4
239.12846	0.5
243.15985	7.2
247.20740	1.9
253.09264	27.3
253.14500	1.1
254.09598	1.6
263.20172	1.5
265.18018	0.7
273.18643	1.7
291.19669	29.2
292.19934	2.5
293.21231	2.1
309.20706	66.6
310.21042	6.4
323.22314	2.5
324.94370	0.4
327.21808	2.0
341.23306	100.0
342.23660	9.9
357.22812	1.3
365.23016	0.5
397.13669	0.6
433.21094	0.5
474.21399	0.4
527.28857	0.6
544.71283	0.5
545.29504	2.0
546.30420	0.6
577.32330	3.3
578.32416	0.5
633.43610	6.1
634.44012	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98424	0.5
61.98701	3.0
67.01762	0.6
68.20375	0.5
69.03343	1.7
71.01263	6.8
71.04927	0.5
72.99194	0.9
73.02813	2.4
80.02569	0.5
81.03327	0.8
83.01275	0.8
83.04899	1.6
84.02053	2.2
84.41238	0.5
85.02827	2.4
87.00769	1.3
89.02298	4.6
95.04914	0.7
96.95856	1.0
97.02834	3.0
97.06468	7.6
99.00774	1.1
99.04395	1.1
99.92451	6.6
99.93005	0.7
100.92489	0.6
101.02318	6.1
109.06483	0.7
111.08038	7.2
113.02322	2.8
116.92744	57.3
117.01832	2.4
117.92771	4.9
119.03410	1.2
125.09621	1.7
127.07600	1.1
128.03430	0.5
137.09631	1.1
138.17220	0.5
141.09108	0.7
145.04958	0.9
146.04433	0.6
151.11200	1.0
153.12764	0.7
161.04501	2.7
165.12776	1.8
169.12262	3.4
171.10181	12.5
179.05563	0.9
181.12256	1.5
183.13826	1.2
185.11827	1.2
193.12283	10.4
194.12503	0.8
197.11771	35.9
198.12144	1.5
199.13333	1.6
209.11786	1.2
211.13347	11.2
212.13792	0.7
221.11766	1.4
223.13452	0.9
225.11508	0.7
225.14917	16.3
226.15208	0.6
227.12875	1.5
229.14462	0.7
235.08139	4.5
243.15973	5.6
244.16325	0.6
247.20691	0.9
253.09264	32.9
254.09676	1.6
263.20129	2.8
264.26047	0.5
265.18127	1.7
273.18649	1.7
277.21698	1.2
291.19669	23.1
292.20038	2.2
293.21222	1.0
309.20706	75.6
310.21075	6.6
323.22229	3.3
327.21655	2.6
341.23303	100.0
342.23669	9.8
352.37125	0.6
397.13391	1.6
545.29675	2.8
577.32391	2.8
592.11597	0.6
633.43707	6.0
634.44275	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
67.72144	0.1
69.95273	0.1
71.01240	0.2
79.95591	0.2
80.96389	0.4
89.02341	0.2
135.96671	0.2
171.10178	0.2
187.94757	0.2
211.13402	0.3
244.05888	0.2
268.04123	0.2
277.21820	0.2
279.23276	0.2
361.79849	0.1
639.21155	0.2
871.49005	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	2.9
69.67979	1.6
71.01254	9.9
71.04893	0.8
71.94049	0.3
72.99196	1.0
73.02823	2.5
83.01259	2.4
83.04907	0.3
84.01608	0.2
85.02824	6.0
85.61156	0.2
87.00782	0.8
88.09729	0.3
89.02324	3.2
95.01271	1.2
96.95924	0.5
97.02856	0.3
98.20614	0.5
99.00784	1.3
101.02325	14.1
113.02335	6.7
113.03071	0.5
116.92801	0.6
119.03388	7.0
125.02319	0.5
131.03357	0.4
133.01303	0.4
133.02879	1.2
135.04472	0.7
137.02348	0.4
143.03432	1.2
145.02878	0.6
159.02931	0.4
161.02446	2.0
161.04468	5.8
165.05873	0.3
177.01913	0.3
179.03439	1.1
179.05516	1.1
193.04991	0.4
221.06628	1.4
245.17377	0.3
248.42307	0.3
253.04834	0.4
323.09995	0.6
324.79340	0.3
407.32825	0.7
425.34668	0.6
427.32257	1.9
443.35205	0.5
469.33234	7.6
469.40036	0.4
470.33258	1.0
487.34286	66.7
488.34671	11.0
501.36301	0.6
529.35260	2.8
530.35699	0.5
559.36230	0.5
571.36493	0.3
589.37488	0.8
631.38428	4.2
632.38855	1.1
649.39539	100.0
650.39874	19.3
673.28113	0.3
691.29028	0.2
691.40594	5.3
692.41199	1.3
733.41711	1.0
785.41309	0.3
811.44855	7.8
812.45648	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	2.1
71.01249	7.4
71.04887	0.7
72.99168	0.9
73.02823	1.6
75.00732	0.6
78.29391	0.5
83.01247	1.2
85.02825	2.3
87.00734	0.6
89.02322	5.0
95.01284	0.7
101.02317	11.1
113.02341	5.3
117.03362	0.7
119.03394	9.6
119.04912	1.0
132.02054	0.7
133.02803	1.3
134.03641	1.5
134.08078	0.5
135.04390	1.5
137.02397	0.6
143.03391	1.8
145.02870	3.7
152.99594	0.6
160.01564	4.6
161.02283	2.3
161.04459	7.6
175.03900	6.1
179.03432	1.5
179.05542	1.8
193.05026	1.1
221.06616	2.1
307.08136	1.1
323.09772	1.9
368.19211	0.6
415.71466	0.6
418.43680	0.6
423.32748	0.8
427.31967	2.4
428.00626	0.6
443.35382	0.7
467.31598	1.3
469.33237	8.3
470.33292	1.2
473.14780	0.6
487.34286	100.0
488.34610	16.9
529.35669	3.4
559.35931	1.4
563.25488	2.8
649.39270	4.7
650.39752	1.4
691.41003	3.0
733.41595	0.8
811.45142	8.6
812.45459	2.5
871.33215	3.7
872.33624	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	3.6
62.35097	0.4
62.59968	0.4
71.01254	21.7
72.99173	1.5
73.02822	6.7
75.00748	1.2
81.03319	0.6
83.01259	5.2
85.02824	11.0
87.00740	0.8
89.01762	0.5
89.02317	9.0
95.01263	2.5
97.02805	0.5
98.19756	0.8
99.00755	2.4
101.02325	21.9
109.81987	0.5
111.00777	0.8
111.36393	0.5
113.02332	10.7
116.92728	1.0
119.03403	4.2
125.02341	0.7
129.01840	0.6
133.02856	2.2
134.03563	0.6
135.04410	1.9
143.03374	1.9
145.02869	1.2
159.02881	1.3
160.01567	0.6
161.02394	4.3
161.04460	5.4
163.03940	0.7
175.03909	0.7
176.04674	1.4
179.03433	1.2
179.05518	2.3
191.05553	1.6
205.08603	1.8
241.09694	0.6
247.85529	0.6
461.20938	0.5
469.33292	1.5
487.34265	7.7
488.34918	1.1
503.34082	0.6
529.35345	0.9
533.24084	1.0
589.37415	0.8
604.39520	1.1
605.40735	3.4
606.40631	0.6
631.38538	2.3
637.39551	23.3
638.40076	4.9
649.39545	100.0
650.39923	22.5
679.37262	0.9
691.40631	7.6
692.40686	1.5
767.41486	0.7
785.41565	1.2
811.44611	1.3
871.29590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99179	5.0
61.45967	2.8
61.98699	45.4
70.11635	7.4
70.11989	5.2
71.01250	51.9
71.04890	11.8
72.99174	7.2
73.02831	14.8
75.00743	6.5
83.01254	5.1
83.04903	3.8
85.02843	17.8
85.42847	3.0
87.00759	17.8
88.98672	5.9
89.02319	19.0
93.03320	4.6
95.01260	7.2
96.95883	12.5
98.03703	2.7
99.00764	14.1
101.02318	91.8
101.05957	8.2
113.02335	21.7
117.03378	2.9
119.03392	12.1
119.04913	8.7
123.04401	4.8
123.08064	3.1
131.03395	6.0
133.02823	10.0
135.04416	9.0
137.02336	10.1
138.43156	2.7
143.03354	4.5
145.02878	5.7
145.04953	3.4
150.03114	4.8
152.01024	3.0
157.10193	5.3
159.02953	4.3
161.02376	21.7
161.04422	15.1
163.03851	4.9
165.05453	6.0
175.02428	3.5
175.03831	3.0
177.01871	3.5
179.03467	9.5
179.05460	14.4
185.08080	12.8
221.06642	11.1
237.11299	24.6
253.14427	77.3
263.07724	5.5
265.14700	3.2
269.13910	7.2
284.12683	9.8
286.14307	9.0
307.07990	3.0
386.24765	3.6
387.25424	6.1
407.29684	5.7
429.26620	4.3
457.29593	5.0
469.29779	7.4
471.31274	8.0
472.31851	8.0
485.32843	9.1
487.30692	49.6
488.31116	8.4
503.33823	100.0
504.34268	11.3
513.28931	3.6
515.30023	5.0
517.31653	43.0
518.32007	9.6
531.29755	24.1
532.31061	5.7
545.35181	12.8
549.23108	4.1
552.65723	3.0
651.40875	4.5
679.36798	14.7
826.41400	6.4
827.43915	8.8
839.40552	5.7
840.41827	3.5
841.43134	3.7
855.40588	11.4
856.40887	8.8
873.41699	92.1
874.42200	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	873.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98709	4.9
67.88806	0.2
69.03324	2.1
70.90372	0.5
71.01253	3.6
71.04887	0.3
72.99187	0.4
73.02817	0.6
75.61500	0.2
83.01261	0.5
83.04916	0.6
84.02045	0.5
85.02822	8.6
87.00746	0.6
88.98669	0.4
89.02322	2.7
95.01303	0.2
95.04897	0.4
96.95876	0.5
97.02828	1.3
97.06477	2.3
101.02331	2.6
109.06472	0.3
111.04433	0.3
113.02345	2.0
116.92715	0.3
119.03406	0.9
119.08611	0.4
123.08031	0.4
125.09618	1.0
127.11161	1.4
133.02829	0.5
135.04430	0.5
135.07979	0.2
137.09624	2.5
143.03392	0.4
155.10704	0.7
159.11725	0.2
161.02313	0.8
161.04457	1.3
165.12767	0.6
167.14401	0.3
171.10187	27.3
172.10542	1.3
177.12808	0.5
179.03442	0.7
179.05508	0.7
181.12263	0.3
183.13892	1.8
185.11748	0.8
193.12315	0.6
195.13841	0.2
197.11714	0.4
199.13303	0.3
201.11223	1.4
209.11768	1.1
211.13351	10.7
212.13695	0.6
213.11165	0.4
221.11807	1.6
222.12119	0.3
227.12778	0.3
229.14426	8.8
230.14761	0.5
235.08296	1.3
239.12817	2.0
247.20580	0.3
253.09283	17.3
254.09636	0.7
286.30112	0.2
291.19672	3.2
292.19864	0.3
309.20651	2.1
327.21771	100.0
328.22086	8.6
383.27286	0.2
545.29718	0.3
563.30713	9.9
564.31281	1.3
619.42169	0.4
637.43152	3.6
638.43274	0.7
873.52142	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98400	0.1
71.01254	0.4
72.99191	0.1
73.02815	0.2
78.95781	0.1
83.01320	0.1
85.02836	0.3
89.02324	0.2
97.12805	0.1
99.00775	0.3
101.02320	0.4
113.02338	0.3
115.00259	0.1
119.03389	0.1
119.04873	0.1
121.02937	0.1
132.02089	0.2
133.02888	0.2
134.03719	0.1
135.04411	0.2
137.02356	0.2
145.02869	0.3
149.06047	0.2
153.05495	0.1
160.00432	0.1
160.01608	0.3
161.02434	0.4
161.04492	0.2
163.03963	0.1
169.78163	0.1
175.03926	0.2
176.99171	0.1
177.01860	0.1
179.03371	0.2
193.04962	0.1
208.03734	0.1
223.06474	0.1
279.27100	0.1
487.34412	0.2
488.34549	0.6
489.34921	0.5
490.34970	0.1
649.39868	0.1
650.40143	0.4
651.40283	0.8
652.40607	1.1
653.40747	0.1
845.25732	0.1
874.44531	0.3
875.29889	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	874.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
69.48841	1.1
71.01267	1.5
72.99206	0.2
73.02827	0.3
75.00744	0.2
78.51711	0.2
83.01257	0.2
85.02837	0.7
87.00762	0.2
89.02305	0.8
95.01266	0.3
96.95891	0.3
99.00747	0.4
101.02324	1.1
108.02085	0.2
113.02374	1.1
117.03344	0.5
119.03401	0.3
119.04935	0.8
121.02862	0.5
132.02077	0.4
133.02866	1.8
134.03670	0.4
135.04424	1.2
137.02354	0.5
145.02872	1.1
146.03242	0.2
149.02376	0.3
149.05960	0.3
150.03120	0.2
151.03923	0.2
160.01564	0.6
161.02365	3.7
161.04453	0.4
162.02783	0.2
163.03931	0.4
165.22809	0.2
175.03922	0.8
177.01923	0.3
179.03407	1.3
179.05734	0.2
181.05016	0.2
193.05020	0.3
209.04553	0.2
210.12074	0.2
281.08652	0.2
285.04266	0.3
323.07745	0.5
330.60471	0.2
427.12634	0.2
450.79379	0.2
487.34503	0.4
488.34906	0.2
489.35220	0.8
490.35638	0.6
541.23077	0.2
552.75580	0.2
845.30084	0.2
874.34064	0.3
874.45526	0.3
875.26569	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98400	0.1
71.01254	0.4
72.99191	0.1
73.02815	0.2
78.95781	0.1
83.01320	0.1
85.02836	0.3
89.02324	0.2
97.12805	0.1
99.00775	0.3
101.02320	0.4
113.02338	0.3
115.00259	0.1
119.03389	0.1
119.04873	0.1
121.02937	0.1
132.02089	0.2
133.02888	0.2
134.03719	0.1
135.04411	0.2
137.02356	0.2
145.02869	0.3
149.06047	0.2
153.05495	0.1
160.00432	0.1
160.01608	0.3
161.02434	0.4
161.04492	0.2
163.03963	0.1
169.78163	0.1
175.03926	0.2
176.99171	0.1
177.01860	0.1
179.03371	0.2
193.04962	0.1
208.03734	0.1
223.06474	0.1
279.27100	0.1
487.34412	0.2
488.34549	0.6
489.34921	0.5
490.34970	0.1
649.39868	0.1
650.40143	0.4
651.40283	0.8
652.40607	1.1
653.40747	0.1
845.25732	0.1
874.44531	0.3
875.29889	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	9.2
63.53711	2.5
70.80134	4.1
70.80475	4.2
71.01247	2.6
85.02833	2.6
87.00739	4.3
88.98692	13.1
101.02283	5.1
105.01852	2.3
113.02319	2.2
116.92735	2.3
161.04442	2.5
171.10188	9.2
198.29094	2.1
211.13356	6.4
223.13315	2.4
229.14389	4.9
235.08214	8.3
253.09271	43.9
275.20374	2.5
291.19742	3.7
293.21243	100.0
294.21631	9.2
309.20764	9.3
327.21768	80.8
328.22125	7.6
356.42255	2.5
397.13495	2.9
446.81662	2.1
458.19717	2.2
529.30200	8.8
530.29340	2.2
545.29712	6.9
563.30878	19.8
564.30969	3.1
603.42657	6.8
839.51752	9.4
840.53540	3.1
875.49084	34.5
876.49170	10.5
894.56342	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02266	0.7
65.00188	0.5
68.02897	0.1
70.38801	0.5
71.01253	2.4
72.99174	0.6
74.37838	0.1
75.00738	0.9
83.01256	0.7
84.18784	0.1
85.02344	0.3
85.02822	2.6
87.00745	0.7
89.02298	0.5
95.01252	0.6
99.00742	1.3
103.00232	0.4
105.03350	0.3
105.33592	0.2
107.01287	1.3
109.02840	0.6
111.00759	0.1
113.02332	2.0
115.00256	0.3
117.01802	0.2
118.79994	0.2
121.02785	0.4
128.92482	0.2
129.01848	0.2
133.02847	5.4
135.04471	0.2
149.02359	1.3
150.99133	0.3
151.00275	3.2
151.03935	0.2
169.06419	0.2
171.04462	0.3
175.02411	0.4
175.03905	2.2
177.01834	0.4
185.05995	0.4
187.03876	0.2
189.05505	0.3
197.06018	0.4
198.03107	0.3
199.03937	2.0
201.01831	0.4
212.04669	0.2
213.05502	0.5
215.03357	0.5
217.05002	1.1
229.04953	0.3
239.03259	0.2
241.05029	0.8
243.02930	0.6
255.02989	0.2
257.04462	0.4
267.02945	0.3
284.03256	0.6
285.04034	100.0
286.04391	7.3
297.03912	0.4
298.04788	0.2
327.05045	1.2
328.05490	0.2
357.06165	1.1
369.06427	0.3
381.06241	0.3
399.07391	0.3
461.07254	50.0
462.07635	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	0.8
68.59632	0.3
69.03332	5.1
71.01255	14.5
71.04898	0.9
72.99176	1.3
73.02811	2.1
80.94917	0.3
81.03339	0.6
83.01260	1.4
83.04923	0.5
85.02822	3.7
87.00755	2.2
89.02316	10.3
95.01258	1.2
97.02827	2.0
97.06454	1.2
99.00766	0.9
101.02325	8.5
101.03005	0.4
109.02866	0.5
111.00765	0.5
111.04372	0.3
113.02328	3.6
119.03383	2.6
123.08046	1.3
125.02317	2.0
125.09646	1.8
126.10000	0.3
137.09569	0.5
143.03381	0.8
148.14336	0.3
149.09592	0.5
151.11200	2.3
153.12805	1.0
161.04460	1.3
161.08403	0.5
161.09601	2.6
179.05527	0.6
179.10718	4.4
197.11771	35.8
198.12128	2.1
205.08720	0.4
209.11772	1.5
221.06631	1.6
223.09764	1.0
235.08200	1.2
241.10703	2.1
255.23277	45.9
256.23654	4.2
269.24811	0.7
367.05267	0.3
397.13474	3.0
415.14679	0.6
444.00961	0.3
639.25702	0.6
647.84198	0.4
877.48010	100.0
878.48328	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.5317
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	11.0
69.03329	0.2
70.63046	0.2
70.95000	0.4
71.01251	2.7
72.99166	0.4
73.02801	0.9
78.95775	0.5
83.01244	0.7
85.02818	2.1
87.00776	0.3
88.98677	0.5
89.02331	1.0
92.39394	0.2
96.95893	0.5
97.02812	0.3
97.06483	0.2
98.97079	0.2
99.00748	0.4
101.02326	2.3
113.02329	2.1
116.92754	0.2
119.03407	0.3
121.02826	0.2
125.02373	0.3
133.02864	1.4
134.03618	0.3
135.04414	3.3
137.02344	0.6
143.03378	0.2
145.02867	0.3
150.03123	0.2
159.04283	0.2
161.02353	4.0
161.04410	1.3
163.03905	0.3
171.10202	0.4
173.05920	0.2
179.03423	4.9
183.13831	10.8
184.14122	0.5
187.07541	0.7
195.13843	9.5
196.14188	0.7
197.11670	0.2
201.05524	0.4
209.11787	1.1
211.13284	0.3
213.14905	100.0
214.15248	6.4
214.16821	0.1
215.07043	0.9
219.88742	0.2
229.08603	0.2
231.10193	0.2
251.05814	0.3
257.08218	0.3
271.44620	0.2
323.07724	0.3
397.13547	0.3
418.99152	0.2
471.13382	0.2
487.14603	1.1
501.32233	0.6
601.37628	0.9
619.38684	0.8
663.37347	3.2
664.38135	0.5
688.99493	0.2
717.24530	0.3
718.24713	1.8
815.31335	2.3
877.40344	0.6
878.41650	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
71.01260	5.7
71.51250	0.8
71.51653	1.2
78.95760	2.3
79.63111	0.8
82.40662	0.9
85.02820	6.6
88.98681	1.1
89.02335	1.9
93.03320	1.4
95.01269	2.2
97.98727	0.9
99.00769	1.7
101.02329	1.6
109.02837	1.8
113.02330	10.3
121.02832	1.5
132.02031	1.4
133.02844	27.0
134.03586	3.6
135.04417	64.5
136.04730	1.6
137.02336	2.5
137.03336	1.0
137.05968	1.0
139.03870	1.6
143.03421	1.1
161.02345	64.2
162.02710	3.2
171.04454	0.9
171.10098	1.6
172.05223	1.4
173.05989	2.1
178.02594	5.2
179.03421	91.1
180.03801	3.6
181.04968	2.8
187.03883	1.6
187.07535	7.3
199.03860	1.1
200.04700	1.2
201.05504	6.8
201.09132	2.2
202.06294	2.1
203.03471	1.7
203.06981	1.0
209.11780	3.0
215.07112	8.8
229.08682	3.8
230.09447	3.7
231.06616	1.3
231.10088	1.3
233.04520	2.3
251.05583	3.2
257.08139	2.8
314.12695	0.9
323.07629	3.7
486.13876	3.7
487.14529	22.9
488.15109	2.0
504.33441	1.0
589.91724	1.1
675.22852	2.7
689.20544	1.3
717.24207	5.7
718.24731	26.9
719.24768	5.2
815.31219	30.2
816.31354	6.7
847.33643	3.3
861.15619	1.1
867.99805	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	2.7
69.03319	1.9
71.01254	19.7
71.04890	2.5
72.99181	1.9
73.02818	3.5
76.80984	0.7
79.95709	0.6
80.70454	0.6
81.03323	1.1
83.01257	1.8
85.02823	5.0
87.00759	4.0
89.02322	14.4
95.01244	1.7
95.04894	0.9
97.02823	6.4
97.06469	2.3
99.00761	14.0
101.01700	1.1
101.02321	13.5
109.02844	1.2
109.06528	1.5
111.04440	0.9
111.08040	1.5
113.02316	5.5
119.03386	3.8
121.06422	0.8
123.08056	1.7
125.02329	3.5
125.09610	6.3
127.11184	1.1
136.05194	0.8
143.03391	2.5
149.84677	0.7
153.12701	0.9
161.04448	1.8
163.11191	6.1
171.10187	13.9
179.05518	2.0
179.10609	0.7
181.12248	11.1
183.10176	1.9
183.85922	0.7
197.11787	4.0
199.13332	8.8
201.11263	4.4
207.10201	27.8
208.10452	1.3
221.06581	1.7
225.11282	38.0
226.11617	2.8
235.08131	3.2
243.12326	9.5
253.09230	2.6
255.23271	59.9
256.23578	5.9
289.18295	1.1
291.19678	14.4
293.21173	3.2
294.21472	1.6
309.20721	7.6
379.12625	3.5
397.13562	14.0
398.13614	1.6
415.14490	3.2
527.28436	0.8
605.24500	3.0
623.25531	2.2
653.37671	1.6
861.48315	13.0
862.49200	2.3
879.49567	100.0
880.49908	27.7
880.67346	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	6.3
69.03325	4.3
71.01255	39.0
71.50778	3.1
72.99194	5.6
73.02810	9.0
74.01730	1.7
78.95840	1.9
81.03301	3.3
81.96309	1.9
83.01258	5.8
85.02822	9.4
87.00755	7.5
88.74473	2.0
89.02312	30.6
95.01280	4.4
97.02819	8.0
97.06503	3.6
99.00749	9.3
101.02324	30.2
108.92749	1.9
109.06467	4.4
111.08028	2.4
113.02336	16.9
119.03386	7.3
120.54733	1.9
123.04376	2.6
125.02333	12.6
125.09608	7.9
127.11213	3.1
135.04413	2.4
141.01846	2.4
143.03360	2.8
161.04460	8.7
163.11221	11.9
171.10181	52.6
172.10478	3.9
179.05492	6.6
181.12257	9.7
185.11745	4.9
191.14357	8.2
195.13823	7.6
197.11754	12.5
201.11235	17.3
205.55646	2.1
207.10213	29.6
209.11815	8.0
215.12810	3.2
223.13338	6.0
225.11278	59.0
226.11725	3.4
235.08170	10.9
238.65256	2.1
243.12344	10.9
245.19159	11.0
250.11731	2.2
253.09241	23.6
255.23273	100.0
256.23529	7.0
263.07892	3.1
275.20090	7.7
289.18097	83.0
290.18427	5.9
291.19687	18.3
293.21228	99.9
294.21539	10.0
305.08832	2.1
307.19150	56.0
308.19604	4.2
309.20810	9.5
379.12430	12.2
397.13507	50.7
398.13931	4.4
415.14539	13.6
439.15039	2.5
454.87000	2.2
605.24847	4.8
623.25336	3.1
653.37439	4.9
850.30347	2.5
861.48248	29.5
862.49542	7.9
879.48950	32.6
880.49500	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	879.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	2.4
62.02642	1.5
62.40126	1.5
64.64994	1.5
69.03319	2.6
71.01254	25.7
71.51845	1.7
71.52206	2.2
72.99175	2.0
73.02818	4.9
81.03337	2.7
83.01227	2.4
83.04875	2.0
85.02819	6.2
87.00742	4.5
88.72205	1.7
89.02316	21.7
91.13740	1.6
95.04899	3.3
97.02834	6.5
97.06427	3.6
99.00768	5.2
101.02336	15.3
105.31260	1.7
109.06479	3.2
111.08035	3.1
113.02332	10.4
119.03394	7.2
123.04403	3.5
125.02339	4.7
125.09603	4.8
135.04382	2.1
135.08017	2.0
155.10698	2.6
161.04472	6.4
161.09605	2.2
163.11226	7.9
171.10178	31.5
179.03439	1.8
179.05507	4.0
179.10765	2.1
181.12254	4.0
185.11711	4.7
191.14287	5.9
195.13884	8.0
197.11748	5.3
201.11237	10.4
207.10271	17.2
209.11855	10.4
209.13496	2.3
223.13287	4.8
225.09250	2.9
225.11295	38.1
235.08177	7.8
237.11456	3.1
243.12495	7.9
245.19093	11.5
253.09306	26.6
255.23277	58.6
256.13159	2.0
256.23572	7.3
275.20184	3.3
289.18085	72.5
290.18390	6.4
291.19702	12.3
292.20157	1.7
293.21237	100.0
294.21448	7.8
307.15668	3.2
307.19159	55.1
308.19528	3.9
309.20578	6.4
379.12369	6.8
397.13556	33.1
398.13742	3.0
415.14581	6.0
453.05249	1.8
505.83575	2.0
525.27240	3.8
527.27667	2.4
605.24670	2.3
623.25720	2.5
653.37024	2.8
835.46283	2.1
861.48322	15.5
862.49066	5.5
879.49194	20.8
880.49622	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	879.5126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98709	6.0
69.03315	1.7
70.89951	1.4
71.01255	9.8
73.02810	1.7
81.03325	1.3
83.01240	1.1
83.04947	0.8
85.02828	2.7
87.00760	1.3
89.02307	5.4
95.01230	0.9
95.04866	0.9
97.02794	0.7
97.06456	2.6
97.81009	0.6
101.02319	6.4
109.06460	0.9
113.02334	3.9
119.03391	1.7
119.08521	0.7
123.04399	1.0
125.02383	1.4
125.09614	3.1
135.08052	0.8
137.09622	2.4
143.03389	1.2
161.04468	1.8
163.11176	3.1
165.12700	1.0
167.10597	1.2
171.10176	6.0
179.05531	1.4
179.10767	0.9
181.12408	1.0
185.11726	3.0
191.14384	3.5
195.13834	7.9
196.14128	0.9
197.11673	0.9
201.11261	2.0
207.10243	4.0
209.11783	9.4
211.13269	1.1
223.13370	7.6
224.13931	0.8
225.11336	5.1
227.12813	0.8
228.13588	0.8
235.08200	2.7
237.11288	1.2
239.12868	0.7
245.19067	7.9
253.09270	21.8
253.11920	1.2
254.09595	1.0
255.23265	9.7
256.12964	1.2
256.23596	1.0
261.89261	0.6
263.20151	2.7
271.17056	1.1
275.20172	5.2
284.21204	0.6
289.18094	44.4
290.18542	3.1
291.19855	1.0
293.21225	100.0
294.21606	8.5
307.19147	40.7
308.19559	3.9
379.12521	1.1
397.13354	5.6
415.14334	0.8
432.50403	0.8
490.74448	0.7
525.27258	1.4
543.28143	1.6
544.28748	0.6
583.39410	0.9
819.48621	1.1
879.48792	4.5
880.49774	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96110	1.1
69.45110	2.3
69.45513	1.1
69.46292	0.4
71.01254	7.2
73.02821	1.2
78.95795	0.6
78.98460	5.6
79.95603	14.8
80.96391	64.7
81.03335	0.9
85.02837	2.4
86.62239	0.4
87.00739	2.7
94.97964	14.7
96.95889	1.2
97.02809	1.4
98.19814	1.0
99.00787	0.5
99.04396	0.6
101.02320	2.3
106.97976	3.0
122.97484	3.8
125.02351	2.3
127.03869	0.9
134.97479	4.9
136.99014	1.5
148.99055	6.7
150.96996	0.4
152.98541	6.2
164.98541	12.1
167.00128	0.6
206.99596	2.9
225.00703	20.4
226.00945	0.8
238.18367	0.5
255.23299	1.7
283.04944	0.7
326.61487	0.5
364.16406	0.5
479.36758	0.5
537.27429	0.9
623.28113	1.2
709.37958	1.0
800.52417	0.5
879.51385	100.0
880.51672	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	881.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	23.8
69.03329	6.1
70.43750	0.8
71.01252	27.2
71.04884	2.9
71.51126	1.3
72.99194	4.1
73.02816	3.9
74.07672	0.8
75.00748	1.4
78.95754	2.0
80.02538	1.5
81.03316	2.9
83.01263	4.6
83.04902	7.8
84.02052	1.3
85.02824	8.6
86.22688	0.9
87.00740	5.0
88.98694	2.5
89.01820	1.4
89.02324	14.4
95.01261	3.0
95.04910	0.9
96.95880	1.8
97.02845	4.0
97.06479	1.2
99.00739	2.7
101.02328	15.2
107.04913	1.0
108.02045	0.9
109.02832	1.6
111.00811	1.4
113.02332	12.2
117.03323	1.6
119.03391	2.9
119.04894	3.3
121.02853	2.4
123.04412	1.9
123.08055	1.8
125.02348	3.3
125.09597	2.9
132.02026	1.8
133.02850	15.4
134.03613	2.7
135.04419	18.8
135.07991	0.9
136.04805	0.8
137.02335	3.6
137.09601	0.8
139.00208	1.0
139.04001	1.1
143.03398	1.8
145.02853	3.4
149.02312	1.6
150.03108	1.2
151.03934	2.2
151.11098	1.4
152.01001	1.0
153.12820	2.0
160.03934	1.0
161.02357	31.4
161.04468	2.9
161.09625	3.4
162.02670	1.3
163.03937	2.1
163.11215	3.9
164.11349	1.0
165.05482	2.0
165.12761	3.7
179.03421	23.4
179.05551	1.7
179.10686	7.3
180.03807	1.6
191.10765	1.4
197.11768	64.6
198.12100	3.6
209.11775	64.6
210.12094	4.0
221.06660	3.5
223.09698	1.6
225.11086	0.8
227.12936	4.4
235.08134	1.0
237.15053	1.0
241.10815	4.9
281.04550	0.9
351.89658	0.8
362.15500	1.1
397.13556	3.0
466.46536	0.8
477.13831	0.9
487.14816	1.3
505.18469	1.9
577.56927	0.9
622.18872	2.0
649.19745	2.6
695.27515	1.5
719.36603	1.3
740.24286	1.0
780.42926	0.9
784.23804	6.0
785.24811	1.6
819.30591	1.1
849.37585	100.0
850.21875	1.6
850.37848	25.8
881.41284	45.4
882.42267	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	881.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	26.7
62.01155	0.9
62.44169	0.9
70.25916	2.0
71.01247	2.5
72.99203	1.3
75.00742	1.2
96.95866	2.8
101.02268	1.4
110.89544	1.0
117.02567	2.0
117.03356	28.4
119.04924	19.2
121.02815	2.9
123.04408	1.3
145.02859	96.6
146.03163	4.9
161.02248	1.0
163.03951	11.7
179.03326	1.8
207.10124	1.4
209.11697	5.5
253.92365	1.1
291.19666	2.7
293.62747	1.0
397.13443	1.5
522.50616	1.2
589.39093	2.9
615.37158	3.2
633.37921	100.0
634.38251	19.6
793.87360	1.2
805.61365	1.3
835.20587	1.3
837.44366	27.4
838.44434	9.4
868.37262	1.2
881.47876	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	881.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	10.7
69.45545	1.7
69.45972	1.3
71.01255	10.5
72.99188	1.1
73.02825	5.1
74.41369	0.4
75.00718	0.5
78.95782	0.6
82.46346	0.4
83.01260	3.2
83.04884	0.5
85.02820	1.6
87.00773	0.6
88.98692	2.5
89.02318	2.9
90.02629	0.4
96.95868	0.7
97.02795	0.9
99.00741	0.5
101.02326	13.8
109.06476	0.7
113.02314	2.7
116.92788	0.9
119.03364	2.2
119.04942	0.6
121.02793	0.7
123.04386	0.5
125.02342	1.2
131.03409	0.7
133.02837	1.5
135.04411	1.6
137.02339	1.2
143.03400	1.5
145.02840	0.5
155.03368	0.7
161.02373	4.0
161.04466	2.4
163.03926	1.0
163.11185	0.8
171.10152	1.1
179.03448	1.7
179.05521	0.6
183.13794	0.6
195.13838	0.4
203.03690	0.6
203.05527	3.4
207.10216	1.6
209.11761	2.9
213.14847	2.7
214.15269	1.0
221.06584	0.7
223.09752	1.0
225.11301	0.8
263.07751	0.6
280.03635	0.6
281.08438	0.4
322.67365	0.5
397.13556	1.2
404.00076	0.5
409.07755	0.5
471.34796	100.0
472.35168	16.3
485.36530	3.0
486.85669	0.5
487.34094	1.2
513.35956	3.4
514.36023	0.9
717.42224	0.8
718.41956	0.5
831.37280	0.7
837.46021	1.0
881.41199	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98381	0.7
61.98702	14.5
63.63116	0.4
66.70245	0.4
69.03327	0.5
69.79942	1.4
69.80341	0.8
71.01250	13.0
72.99196	0.9
73.02814	6.6
75.00735	0.6
78.95783	0.6
81.03332	0.6
83.01243	3.6
83.04896	0.8
85.02826	2.1
87.00737	1.5
88.55656	0.4
88.98685	1.3
89.02312	3.4
93.03336	0.5
95.01225	0.5
96.95908	0.8
97.02824	1.2
99.00735	1.2
101.02322	13.5
102.02650	0.4
109.06467	1.8
111.00976	0.4
113.02345	3.2
119.03386	2.1
119.04937	0.6
121.02822	0.8
125.02316	1.8
131.03413	0.8
133.02843	1.2
135.04416	1.8
137.02347	0.8
143.03389	1.4
145.02849	0.8
155.03432	0.6
161.02415	2.6
161.04472	2.3
161.09550	0.6
162.02678	0.5
163.03867	1.0
163.11197	0.8
171.10141	1.5
175.03947	0.5
179.03360	2.7
179.05550	0.6
179.10704	0.5
183.13783	0.5
195.13857	0.8
203.05534	3.2
205.08562	1.1
207.10246	2.0
209.11774	5.3
213.14853	3.5
214.15289	1.8
215.15465	0.5
221.06433	0.9
223.09720	1.9
225.11256	1.7
227.12794	1.3
229.14330	0.5
243.12404	0.6
263.07623	0.5
273.16998	0.8
280.03815	0.5
397.13559	1.5
415.14651	1.0
471.34766	100.0
472.35092	17.5
485.36447	3.2
486.36758	0.8
487.34103	0.9
513.35724	3.0
514.36475	0.8
618.40295	0.4
675.41132	0.5
717.41852	0.9
813.35724	0.9
828.06165	0.6
831.34735	0.6
837.45850	1.7
849.37311	0.5
881.40411	1.3
882.40015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	11.6
63.83136	0.4
66.54243	0.3
68.99698	0.5
71.01254	10.3
71.50890	0.4
71.51309	0.4
72.99177	0.9
73.02820	7.0
75.00742	1.1
76.33277	0.4
78.95765	0.8
81.03339	0.6
83.01257	2.7
85.02824	2.3
87.00734	1.1
88.98663	1.1
89.02315	2.3
95.01257	0.5
95.62489	0.3
96.95875	0.8
97.02797	0.6
99.00768	0.7
99.04417	0.5
101.02324	16.7
109.02869	0.5
111.54613	0.3
113.02336	3.5
117.03326	0.5
119.03384	1.7
119.04895	0.8
121.02817	0.4
125.02321	1.2
131.03426	0.6
133.02870	0.8
134.03581	0.4
135.04399	1.7
137.02359	0.5
143.03391	1.4
145.02843	0.9
155.03439	0.8
161.02417	2.3
161.04469	2.5
161.05602	0.4
162.02782	0.4
163.03990	0.5
171.10220	0.4
179.03438	1.8
183.13841	0.6
187.07637	0.4
197.11958	0.5
203.05559	5.8
209.11804	1.4
215.06789	0.4
226.39647	0.4
227.12816	1.0
230.09456	0.7
263.07706	0.8
281.04648	0.4
293.21259	1.1
305.08676	0.4
423.32520	0.6
471.34787	100.0
472.35107	16.4
485.36530	3.3
486.37283	0.5
487.34055	1.9
513.35724	3.6
514.36450	0.8
543.36609	0.8
572.82336	0.5
881.42450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
61.87608	0.3
61.98701	10.4
66.29613	0.3
66.97708	0.3
69.03307	4.2
71.01251	22.9
71.04888	0.9
72.99189	2.2
73.02811	3.1
75.00739	3.5
78.95776	1.0
78.98470	0.5
79.95608	1.8
80.16735	0.4
80.96383	6.2
81.03337	0.8
83.01258	2.4
83.04897	0.9
85.02824	5.6
87.00751	5.2
89.01762	0.9
89.02317	18.4
94.97975	1.1
95.01257	1.6
95.04868	0.5
97.02821	3.3
99.00780	1.3
99.04445	0.4
101.02317	14.4
109.02856	0.6
109.06467	0.6
111.00806	0.5
111.08115	0.4
113.02334	8.8
119.03380	4.5
121.02839	0.4
122.97483	0.5
125.02339	6.4
125.09614	0.7
131.03384	0.9
133.04924	0.4
139.03900	0.4
141.01830	0.5
141.09142	0.5
143.03409	2.9
149.04485	0.5
149.09583	0.6
151.11195	0.6
161.04472	3.9
164.98529	0.9
167.03365	0.6
167.10666	2.9
169.12277	0.9
177.12820	0.6
179.05519	5.3
179.10674	1.1
179.14340	2.8
195.13847	10.0
196.14294	0.5
199.06052	0.5
205.12280	9.3
206.12566	0.5
217.07144	0.8
221.06567	2.4
223.13344	100.0
224.13680	6.1
225.00702	1.8
232.55743	0.4
235.08173	5.8
253.09253	1.6
255.23369	1.3
263.07800	0.6
263.78394	0.4
265.14331	1.0
277.21713	54.0
278.22049	4.7
287.07779	1.6
291.19623	0.6
293.21313	1.9
295.22791	1.2
305.08847	1.7
307.19131	1.0
309.20728	0.7
323.09692	1.8
341.11090	0.4
379.12451	7.5
380.12848	0.7
397.13477	43.3
398.13925	3.2
415.14609	10.9
603.26459	7.1
604.26666	1.0
621.27570	8.7
622.27899	0.9
627.30511	0.4
657.34821	0.7
675.35767	0.9
881.49603	10.3
882.49414	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	881.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98707	14.4
65.57553	1.3
69.03307	1.5
71.01256	34.9
71.22829	2.1
72.99171	3.0
73.02811	5.0
75.00750	1.6
81.03325	2.5
83.01253	4.2
83.04897	4.7
85.02822	7.2
87.00740	8.9
89.02319	26.0
95.01244	2.4
97.02843	6.1
99.00787	1.3
101.02325	21.0
111.00756	3.2
111.04360	1.2
113.02334	10.9
119.03397	6.7
125.02337	9.5
125.05989	1.4
125.09602	3.3
127.11174	4.9
137.09613	1.5
139.51099	1.1
141.01784	1.5
143.03423	4.0
152.99571	1.5
155.10728	1.6
161.04497	5.0
163.11183	4.0
165.09087	1.5
165.12767	2.2
171.10188	9.2
172.10545	2.2
179.05501	5.0
181.12271	1.5
183.10123	1.5
191.01886	1.7
191.10646	1.5
195.13948	2.1
197.11736	2.4
199.06093	1.5
199.09732	2.1
201.09335	2.3
201.11261	81.6
202.11632	5.7
209.11780	100.0
210.12077	6.8
211.13339	2.2
221.06668	3.0
223.13286	1.7
225.11298	3.8
226.11642	1.8
227.12888	12.8
235.08217	7.7
253.09274	5.4
255.23267	84.4
256.23575	9.9
269.24905	1.5
277.21707	2.7
287.07623	2.1
291.19653	3.1
293.21255	18.4
305.08774	3.2
309.20709	12.7
310.21170	1.4
323.09769	3.3
369.26117	1.4
379.12445	12.0
380.12698	2.6
397.13513	69.9
398.14026	9.7
399.13959	2.1
415.14664	16.0
581.24414	4.0
589.25220	1.4
635.36407	1.6
653.37952	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	881.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	17.3
67.28585	1.1
69.03334	1.4
69.40898	8.6
71.01252	27.6
72.99165	2.4
73.02808	5.4
78.95753	2.5
81.03322	3.8
83.01257	2.1
83.04890	4.4
85.02817	10.2
87.00754	9.2
89.02319	23.8
95.01243	1.8
97.02827	7.9
99.00768	2.1
101.02324	21.0
101.14906	1.2
102.02608	1.4
112.98672	1.3
113.01746	1.1
113.02355	11.5
119.03386	6.6
125.02326	9.1
125.09583	2.8
127.11151	4.5
131.03362	1.5
142.99716	2.0
143.03372	3.6
161.04434	5.8
163.11232	3.4
163.60593	1.4
165.09105	1.2
165.12756	3.1
165.55669	1.3
171.10199	9.0
172.10533	3.1
174.01642	1.5
179.05505	4.8
181.12036	1.6
191.01842	1.6
195.13730	2.0
197.11728	3.6
199.06003	1.4
201.11250	82.0
202.11574	4.3
202.89180	1.3
207.10210	2.0
208.10611	1.4
209.11769	100.0
210.12082	5.0
211.13338	5.1
217.07162	1.7
221.06487	1.9
223.13344	3.1
224.54196	1.2
225.11191	2.6
227.12828	16.2
235.08191	9.0
253.09241	10.8
255.23274	83.7
256.23553	8.5
257.23886	1.8
269.24854	1.6
275.20111	2.5
277.21774	6.6
287.07651	3.6
291.19724	6.2
293.21210	34.2
294.21509	2.2
305.08749	3.4
309.20706	17.3
310.21201	1.8
323.09875	3.1
371.93271	1.2
379.12448	16.3
380.12778	1.9
397.13477	75.9
398.13739	8.8
399.13641	1.5
414.92206	1.3
415.14536	13.9
453.94901	1.4
581.24579	2.3
585.41742	1.7
599.25452	2.8
653.37677	9.5
673.09735	1.4
863.48871	1.4
881.46582	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	882.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
62.98405	0.1
65.89095	0.1
69.45021	0.6
71.01260	0.2
78.95796	0.1
79.95616	0.1
80.96385	0.4
89.02322	0.1
94.38137	0.1
94.44567	0.1
94.97994	0.1
101.02317	0.1
154.21530	0.1
164.98509	0.1
171.10228	0.1
197.11723	0.1
207.10147	0.1
225.00655	0.1
232.52449	0.1
253.09172	0.1
255.23299	0.1
277.21744	0.3
285.04230	0.1
289.18170	0.1
290.18631	0.2
293.21368	0.2
294.21539	0.2
295.22464	0.3
296.22131	0.1
299.81213	0.1
307.19089	0.2
308.19650	0.2
309.20575	0.1
327.21924	0.3
516.02985	0.1
530.55695	0.1
882.49890	0.5
883.46790	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98405	0.2
71.01254	0.6
72.50054	0.1
89.02334	0.3
97.02834	0.3
101.02338	0.4
109.06484	0.3
113.02296	0.2
159.13521	0.1
163.11212	0.3
171.10243	0.2
186.02707	0.1
192.31738	0.1
193.12364	0.1
201.11240	0.2
207.10199	1.3
209.11855	0.1
211.13359	0.2
225.11200	0.7
227.25740	0.1
235.08127	0.1
253.09224	0.2
256.23666	0.2
277.21649	0.8
280.05176	0.1
290.70670	0.1
291.19727	0.1
323.22153	0.3
329.85440	0.1
341.23419	0.4
379.12787	0.1
379.99338	0.1
397.13541	0.6
400.50409	0.1
415.14581	0.2
471.84445	0.1
623.25470	0.1
666.11664	0.1
883.46631	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98718	1.4
69.16521	9.0
71.01256	5.6
71.04880	1.3
73.02803	3.3
83.04897	1.3
85.02825	3.7
98.19659	2.1
101.02305	2.0
110.05311	1.2
113.02327	3.6
122.46180	1.2
135.04398	2.1
160.01564	2.8
161.02281	2.9
161.04466	2.1
179.03386	2.7
221.06645	1.6
321.22531	1.1
374.01614	1.2
377.28098	1.3
437.30557	6.6
438.30731	1.6
455.31662	6.8
473.32742	3.4
499.30652	16.2
500.30521	1.3
517.31696	38.8
518.32056	6.4
559.32703	1.5
883.43317	100.0
884.43634	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	1.9
69.17924	2.0
69.18346	0.9
71.01257	2.9
71.04895	0.7
72.99168	0.4
73.02814	1.6
83.01257	0.7
83.04882	0.4
85.02826	2.4
87.00742	0.5
88.98672	0.9
89.02300	0.7
93.03325	0.4
96.95885	0.6
98.20649	0.3
99.00742	0.4
101.02323	4.6
105.03313	0.3
113.02337	2.8
119.03394	0.4
119.04887	0.8
125.02377	0.7
131.03395	1.0
133.02853	0.7
135.04416	1.0
137.02280	0.5
143.03372	0.6
145.02878	0.7
150.03096	0.4
152.66786	0.3
155.03418	0.4
161.02332	1.7
161.04459	1.1
162.02641	0.5
165.05429	0.6
179.03424	1.3
201.05690	0.7
203.05530	2.0
209.11731	1.0
225.11191	0.3
227.12701	0.3
261.07520	0.4
292.49182	0.3
397.13513	0.4
409.31064	0.4
421.31003	1.3
437.30643	0.4
441.33704	1.5
443.31705	0.9
453.29892	0.5
457.33163	0.5
459.34653	0.5
473.32321	0.4
485.25528	0.5
485.32742	9.7
486.33167	1.2
503.33789	100.0
504.34116	16.2
545.34735	4.9
546.35419	0.5
659.32678	0.3
707.40210	0.5
749.42072	0.5
751.84894	0.3
779.42133	0.6
797.43011	0.9
839.44434	1.6
840.44421	0.5
883.42615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	56.6
69.03320	1.8
70.08604	0.4
70.08944	1.1
71.01254	24.1
72.01598	0.3
72.99194	1.7
73.02818	3.8
75.00739	0.7
76.82044	0.3
80.02546	1.4
80.96404	0.8
81.03328	3.6
83.01256	2.9
83.04903	3.3
84.01607	0.3
85.02824	7.2
87.00756	4.8
89.02318	18.3
91.03867	0.3
93.03335	0.9
94.97938	0.4
95.01261	1.8
95.04893	0.6
97.02827	12.4
97.06460	0.6
99.00761	2.5
99.04369	0.7
101.02321	16.9
106.04114	0.6
107.04922	1.2
109.02820	0.5
109.06475	33.4
110.03625	1.2
110.06821	0.8
111.00748	0.8
111.04424	0.8
113.01529	0.5
113.02326	9.4
113.03064	0.6
115.03932	0.5
116.92751	2.6
119.03387	5.3
121.02848	0.5
121.06480	2.7
123.04414	1.2
125.02332	6.3
125.05954	0.6
125.09656	0.9
126.02743	0.4
129.01900	0.4
131.03406	1.1
135.08055	5.2
136.05193	2.0
136.08354	0.5
139.03885	0.8
141.01836	1.5
141.44525	0.3
142.02631	3.0
143.03406	2.9
145.10112	0.8
149.04471	0.5
149.45602	0.3
151.07559	0.5
161.04507	4.0
161.09639	2.5
163.11198	18.6
164.11530	1.4
165.09146	0.6
171.10240	0.5
179.05545	5.0
179.10721	1.0
181.12263	5.4
189.09126	2.7
197.11803	0.7
201.11284	1.8
202.11604	1.2
207.10204	100.0
208.10568	4.7
209.11749	5.3
210.12061	1.7
217.07076	0.6
221.06624	2.9
223.13313	0.4
225.11273	45.0
226.11635	2.1
235.08165	5.9
236.08502	0.7
243.12444	2.0
249.11290	0.6
253.09355	1.4
255.23354	1.9
256.23633	1.1
259.20566	0.5
263.07718	0.9
277.21716	51.4
278.22064	4.2
281.13977	0.7
287.07739	1.7
291.19397	0.3
293.21234	0.5
299.15146	1.6
305.08765	2.0
309.20648	0.5
323.09802	1.3
354.75409	0.4
379.12482	5.4
380.13000	0.4
397.13489	37.2
398.13846	3.8
399.14178	0.7
415.14560	12.2
416.14822	0.9
441.33829	0.7
443.19260	0.7
485.32761	0.4
559.36591	0.5
578.30109	0.3
587.23566	0.9
605.24432	7.7
606.24353	0.7
623.25598	9.3
624.25848	1.5
865.46643	1.5
883.46899	46.0
884.47211	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	883.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	24.3
65.03832	0.6
67.01789	0.4
69.03325	2.3
69.40410	3.7
71.01252	30.0
72.99182	2.6
73.02820	4.4
74.15773	0.4
75.00756	1.0
80.02557	0.9
80.96389	0.9
81.03338	4.2
83.01256	3.6
83.04903	3.7
85.02821	7.4
87.00751	7.5
89.02321	22.0
89.67169	0.4
90.02721	0.5
91.03873	0.6
93.03371	0.7
94.97926	0.5
95.01270	2.3
95.04901	1.2
96.54370	0.5
97.02834	12.8
97.06439	0.6
99.00754	4.5
101.02324	20.5
106.04105	0.6
107.04915	1.1
109.02811	1.0
109.06477	32.3
110.03601	1.5
110.06873	0.6
111.00777	1.0
111.04424	1.3
113.02335	12.6
116.92764	1.7
119.03390	6.3
121.02866	0.9
121.06483	2.7
121.07228	0.5
123.04409	1.6
123.75632	0.5
125.02338	8.4
125.03244	0.6
125.09593	0.9
131.03415	1.0
133.05013	0.6
135.08044	4.2
136.05217	2.5
139.03850	0.9
141.01843	1.7
142.02618	3.1
143.02469	0.5
143.03423	3.7
145.10112	0.7
149.04482	0.5
161.04457	4.2
161.09659	2.0
163.11201	19.5
164.11513	0.6
168.07602	0.5
179.05519	4.5
179.10663	1.2
181.12236	4.8
189.09135	2.9
197.11867	0.6
201.11226	1.7
202.11536	0.7
207.10205	100.0
208.10553	5.6
209.11768	4.2
210.12129	0.6
217.07065	1.2
221.06567	2.5
225.11273	37.4
226.11635	2.3
235.08180	5.8
239.12845	0.4
243.12332	1.5
245.06659	0.8
253.09311	1.3
255.23360	1.1
259.08493	0.6
263.07700	1.1
275.20212	0.6
277.21729	73.4
278.22073	5.2
281.13919	1.0
287.07813	1.8
299.14987	1.3
305.08905	2.2
323.09882	1.1
379.12448	5.8
397.13495	54.4
398.13855	4.4
399.13702	0.5
415.14594	15.3
416.15024	0.8
443.18851	0.7
461.20557	0.6
587.23627	1.4
605.24561	5.3
606.25330	1.0
612.53961	0.5
623.25366	5.2
675.36078	1.0
767.99774	0.5
865.46191	1.7
883.46924	56.9
884.47241	13.5
913.01300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98404	0.1
71.01254	0.1
71.51535	0.1
71.51933	0.1
80.96409	0.2
94.97944	0.1
101.02324	0.1
112.55051	0.1
207.10217	0.1
210.12260	0.1
225.11230	0.1
277.21716	0.1
335.73434	0.1
397.13782	0.1
404.91888	0.1
415.14764	0.1
491.13522	0.1
653.34290	0.1
735.24390	0.1
771.87195	0.1
884.47253	0.2
885.46979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
62.98407	0.3
64.17342	0.1
71.01250	2.1
72.99195	0.1
73.02817	0.4
78.95765	0.2
79.95595	0.6
80.02543	0.1
80.96394	1.8
81.03335	0.2
83.01260	0.2
83.04877	0.2
85.02831	0.4
87.00745	0.7
89.02314	1.5
94.97979	0.3
97.02836	0.9
98.03154	0.2
99.00763	0.3
101.02313	1.3
109.02819	0.1
109.06459	1.9
110.06834	0.5
113.02332	0.6
114.02650	0.2
116.92747	0.2
119.03389	0.4
125.02367	0.4
127.49226	0.1
135.08086	0.2
141.01868	0.1
142.02713	0.2
143.03406	0.3
161.04485	0.4
163.11215	1.3
164.11559	0.5
164.98553	0.2
179.05579	0.4
181.12302	0.2
199.13326	0.2
199.52550	0.2
207.10208	5.4
208.10555	2.2
209.11781	0.5
225.00716	0.5
225.11253	2.6
226.11641	0.9
227.12856	0.3
235.08217	0.4
245.50826	0.1
255.23320	0.2
277.21722	3.2
278.22079	1.8
379.12439	0.3
380.13040	0.2
397.13474	2.5
398.13879	1.2
415.14810	0.7
416.14993	0.3
453.85266	0.1
521.51007	0.1
605.24377	0.2
606.24768	0.2
623.25421	0.3
624.26288	0.3
884.47198	4.4
885.46985	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	884.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
62.98397	0.1
65.54041	0.1
69.03339	0.2
69.52923	0.1
71.01252	2.5
72.99188	0.2
73.02822	0.3
73.48508	0.1
74.45105	0.1
74.95068	0.1
78.95774	0.2
78.98469	0.2
79.95615	0.6
80.02541	0.2
80.96385	2.0
81.03349	0.3
83.01277	0.3
83.04906	0.5
84.02040	0.1
85.02835	0.4
87.00756	0.5
89.02310	1.6
94.97988	0.5
95.01295	0.2
97.02802	0.7
99.00777	0.5
101.02326	1.6
109.06491	0.5
113.02325	0.9
116.92700	0.3
119.03407	0.5
122.97510	0.2
125.02339	0.7
143.03371	0.2
148.99033	0.2
161.04433	0.3
163.11186	0.8
164.98564	0.3
165.12785	0.3
171.10216	0.2
179.00406	0.1
179.05527	0.5
181.12260	0.4
199.13406	0.3
203.57314	0.1
207.10205	2.5
207.77995	0.1
208.10562	0.7
209.11766	7.7
223.37968	0.1
225.00812	0.4
225.11252	2.4
226.11549	0.8
227.12813	1.1
235.08154	0.6
243.12372	0.7
244.12648	0.2
253.09401	0.2
263.07770	0.2
277.21716	5.4
278.22147	0.7
287.07870	0.1
293.21231	0.2
301.49622	0.1
305.08948	0.2
323.22324	0.3
324.22867	0.2
341.23312	0.3
379.12579	0.6
388.48221	0.1
397.13470	3.1
398.13895	0.5
415.14456	0.8
415.82874	0.1
461.63953	0.1
518.79602	0.1
570.12415	0.1
605.24390	0.2
606.24988	0.3
624.26025	0.6
884.47449	2.2
885.47009	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	884.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
62.98407	0.3
64.17342	0.1
71.01250	2.1
72.99195	0.1
73.02817	0.4
78.95765	0.2
79.95595	0.6
80.02543	0.1
80.96394	1.8
81.03335	0.2
83.01260	0.2
83.04877	0.2
85.02831	0.4
87.00745	0.7
89.02314	1.5
94.97979	0.3
97.02836	0.9
98.03154	0.2
99.00763	0.3
101.02313	1.3
109.02819	0.1
109.06459	1.9
110.06834	0.5
113.02332	0.6
114.02650	0.2
116.92747	0.2
119.03389	0.4
125.02367	0.4
127.49226	0.1
135.08086	0.2
141.01868	0.1
142.02713	0.2
143.03406	0.3
161.04485	0.4
163.11215	1.3
164.11559	0.5
164.98553	0.2
179.05579	0.4
181.12302	0.2
199.13326	0.2
199.52550	0.2
207.10208	5.4
208.10555	2.2
209.11781	0.5
225.00716	0.5
225.11253	2.6
226.11641	0.9
227.12856	0.3
235.08217	0.4
245.50826	0.1
255.23320	0.2
277.21722	3.2
278.22079	1.8
379.12439	0.3
380.13040	0.2
397.13474	2.5
398.13879	1.2
415.14810	0.7
416.14993	0.3
453.85266	0.1
521.51007	0.1
605.24377	0.2
606.24768	0.2
623.25421	0.3
624.26288	0.3
884.47198	4.4
885.46985	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	885.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	1.7
63.38977	0.3
71.01252	3.1
71.04877	0.3
71.09584	0.4
73.89565	0.3
78.95788	0.5
85.02816	0.8
85.34544	0.3
87.00739	0.3
88.98667	0.9
89.02320	2.1
89.27576	0.3
95.01274	0.3
101.02322	1.7
113.02347	1.3
114.51644	0.3
119.03396	0.4
119.04884	0.4
121.02827	1.0
133.02837	0.5
135.04395	0.8
137.02357	0.6
161.02275	0.8
161.04460	0.4
175.03870	0.3
179.03439	0.5
179.05540	0.7
209.11682	1.6
210.11967	0.3
251.32649	0.3
295.91568	0.3
303.19092	0.3
372.83249	0.3
379.29797	0.3
421.31079	1.0
439.32068	3.5
440.32605	0.5
483.31082	5.1
484.31125	0.6
501.32211	100.0
502.32538	14.0
503.11670	0.3
543.33191	3.9
544.33191	0.3
663.37500	21.3
664.37842	3.1
681.38306	0.4
885.43140	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98709	2.7
67.01762	0.2
68.99673	0.2
69.03335	1.0
70.02725	0.1
71.01258	13.4
71.04882	0.3
71.51678	0.2
72.01601	0.2
72.99197	1.0
73.02816	2.4
75.00746	0.2
75.85585	0.1
78.95780	0.4
79.95606	0.3
80.02564	1.2
80.96391	0.6
81.03333	1.6
83.01243	1.8
83.04901	5.2
84.02052	0.9
84.05241	0.2
85.02348	0.2
85.02832	3.3
87.00755	3.2
89.02321	11.1
89.07299	0.2
91.03897	0.2
93.03342	0.6
94.97963	0.2
95.01273	1.2
95.04928	0.8
97.02838	2.1
97.06444	0.3
99.00764	0.9
99.04386	0.2
101.02329	10.3
109.02829	0.3
109.06491	0.3
111.00755	0.5
111.04404	0.5
111.08025	0.3
113.02343	6.2
115.03962	0.3
116.92773	0.4
119.03393	2.9
121.02897	0.3
124.01507	0.2
125.02343	4.9
125.05991	0.4
125.09610	0.2
126.02712	0.3
127.03873	0.2
131.03386	0.7
133.04961	0.2
135.08096	0.9
137.02374	0.2
139.03925	0.4
141.01843	0.3
143.03416	2.1
143.53590	0.2
145.04985	0.2
147.11699	0.3
149.04457	0.4
161.04468	3.0
161.09781	0.1
163.11198	4.0
165.12781	2.3
167.03391	0.3
179.03273	0.2
179.03737	0.2
179.05545	3.2
181.12265	0.4
185.04408	0.2
191.10672	1.2
197.11850	0.2
199.06004	0.4
199.13336	0.2
207.10149	0.3
209.11781	100.0
210.12122	6.1
211.13364	0.3
217.07104	0.7
221.06645	1.1
223.13287	0.3
227.12848	10.9
228.13213	0.5
229.14543	0.2
235.08195	4.9
245.06613	0.4
251.12975	0.8
253.09366	0.6
259.08249	0.2
263.07639	0.3
277.21732	40.5
278.22067	4.1
287.07724	1.7
293.21176	0.5
305.08755	1.6
323.09854	1.1
361.11563	0.3
379.12485	5.3
380.12723	0.6
397.13510	30.7
398.13876	2.7
415.14557	7.8
416.14825	0.8
497.20050	0.2
589.25061	0.6
590.25049	0.2
607.26044	1.3
608.26111	0.2
657.34839	0.2
675.35950	0.4
811.49097	0.4
885.46088	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	1.1
68.99669	0.2
69.03336	1.1
71.01255	16.8
71.04876	0.3
72.99186	1.3
73.02821	3.0
75.00759	0.3
78.95786	0.2
79.95586	0.8
80.02547	1.0
80.96391	1.3
81.03334	2.4
83.01270	1.7
83.04900	5.2
84.02027	0.8
85.02827	4.2
87.00745	4.8
89.02319	13.2
90.02647	0.3
93.03315	0.3
94.97926	0.4
95.01275	1.7
95.04900	0.7
97.02818	2.7
99.00762	1.1
100.62707	0.2
101.02324	12.3
109.02859	0.3
109.06466	0.5
111.00755	0.3
111.04383	0.5
113.02332	7.0
115.03885	0.3
119.03392	3.3
121.02849	0.3
125.01454	0.4
125.02338	6.1
125.05949	0.6
131.03394	0.9
133.04959	0.5
135.08057	0.6
137.02335	0.4
139.03912	0.7
141.01801	0.5
143.03419	2.9
145.04919	0.3
149.04446	0.5
157.04984	0.3
161.04459	3.2
163.11189	3.7
164.11462	0.3
164.98593	0.3
165.12788	2.7
167.03378	0.4
169.04901	0.2
179.05533	3.7
181.12221	0.7
191.10767	1.2
199.06065	0.4
199.13408	0.2
207.10156	0.3
209.11771	100.0
210.12114	6.1
217.07095	0.8
221.06592	1.5
225.00684	0.5
227.05769	0.2
227.12849	11.6
228.13211	0.9
230.15935	0.2
235.08189	5.4
236.08444	0.3
251.12779	0.4
253.09164	0.6
259.08093	0.3
263.07730	0.4
277.21729	47.3
278.22076	4.0
287.07733	1.2
287.58289	0.2
291.23288	0.2
293.21194	0.3
305.08878	1.5
323.09888	1.1
372.63284	0.2
379.12442	5.8
380.12369	0.2
397.13504	33.9
398.13809	2.7
415.14597	8.5
416.14792	0.7
448.76514	0.2
589.24774	0.2
607.26758	0.8
675.35443	0.5
811.49835	0.3
885.46881	2.5
886.46576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5175
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	100.0
65.21064	0.1
71.01275	0.3
71.51643	0.2
71.52000	0.2
78.95784	0.3
79.95615	0.3
80.55901	0.2
80.96389	0.9
82.19222	0.2
84.82504	0.2
89.02330	0.2
94.97955	0.2
101.02355	0.2
109.06443	0.3
116.90666	0.2
198.93611	0.2
207.10301	0.5
209.11813	0.2
225.00858	0.3
225.11406	0.2
227.27574	0.2
279.23322	0.3
281.19577	0.2
281.25058	0.2
293.21390	0.3
397.13846	0.2
524.87750	0.2
820.12231	0.2
886.48840	0.8
887.47833	1.6
900.35992	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.69175	0.5
61.98704	8.5
68.99689	0.9
69.03322	1.6
70.91998	1.0
71.01257	42.6
72.01603	0.7
72.99182	5.4
73.02435	1.0
73.02823	9.7
75.00736	1.5
76.04350	0.5
81.03331	1.3
83.01257	7.6
84.20410	0.5
84.84435	0.6
85.02828	17.0
85.03351	0.9
87.00729	3.6
88.01135	0.5
88.98696	0.8
89.02323	14.5
93.03321	0.8
95.01260	5.2
97.02830	2.3
99.00758	4.6
101.02326	25.9
102.02656	1.0
109.02820	0.6
111.00741	1.3
112.01524	1.0
113.02335	16.3
117.03352	0.8
119.03395	3.9
119.04849	0.9
125.02331	2.7
131.03392	1.2
133.02867	1.4
135.04419	2.1
137.02371	3.5
143.03410	1.8
144.24629	0.5
145.02832	0.9
151.03998	0.6
155.03432	0.7
156.91655	0.5
159.02907	1.0
161.02409	3.2
161.04448	3.2
162.02716	0.6
163.03825	0.7
175.03972	0.6
177.02011	0.6
179.03419	2.2
209.38898	0.6
224.36069	0.5
415.30734	1.1
459.29938	2.9
503.33682	1.3
577.36285	1.0
603.34741	0.9
619.37109	1.5
621.34985	3.4
622.34894	0.9
645.34863	1.0
663.35992	100.0
664.25226	0.8
664.36359	16.4
665.38959	1.4
801.41669	0.9
843.42346	59.5
844.42603	12.9
887.39771	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.69175	0.5
61.98704	8.5
68.99689	0.9
69.03322	1.6
70.91998	1.0
71.01257	42.6
72.01603	0.7
72.99182	5.4
73.02435	1.0
73.02823	9.7
75.00736	1.5
76.04350	0.5
81.03331	1.3
83.01257	7.6
84.20410	0.5
84.84435	0.6
85.02828	17.0
85.03351	0.9
87.00729	3.6
88.01135	0.5
88.98696	0.8
89.02323	14.5
93.03321	0.8
95.01260	5.2
97.02830	2.3
99.00758	4.6
101.02326	25.9
102.02656	1.0
109.02820	0.6
111.00741	1.3
112.01524	1.0
113.02335	16.3
117.03352	0.8
119.03395	3.9
119.04849	0.9
125.02331	2.7
131.03392	1.2
133.02867	1.4
135.04419	2.1
137.02371	3.5
143.03410	1.8
144.24629	0.5
145.02832	0.9
151.03998	0.6
155.03432	0.7
156.91655	0.5
159.02907	1.0
161.02409	3.2
161.04448	3.2
162.02716	0.6
163.03825	0.7
175.03972	0.6
177.02011	0.6
179.03419	2.2
209.38898	0.6
224.36069	0.5
415.30734	1.1
459.29938	2.9
503.33682	1.3
577.36285	1.0
603.34741	0.9
619.37109	1.5
621.34985	3.4
622.34894	0.9
645.34863	1.0
663.35992	100.0
664.25226	0.8
664.36359	16.4
665.38959	1.4
801.41669	0.9
843.42346	59.5
844.42603	12.9
887.39771	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	1.1
69.03276	3.6
71.01254	12.1
71.04884	0.8
72.99170	1.0
73.02809	1.6
83.01254	1.6
83.04874	0.6
85.02830	2.5
85.06439	0.8
87.00752	2.6
89.02316	10.4
93.03322	0.5
95.01260	1.0
96.95894	1.1
97.02834	1.8
98.20567	1.2
99.00793	0.9
101.02322	9.8
109.06455	0.5
110.97038	0.4
111.04436	0.5
113.02332	4.8
119.03375	2.7
123.00706	0.4
125.02335	3.2
131.03389	0.7
143.03381	1.1
149.09636	0.8
161.04468	2.3
161.13229	0.4
167.10698	3.8
177.12738	0.8
179.05536	3.1
179.10680	1.6
179.14334	5.1
188.11395	0.5
195.13840	11.9
196.14131	0.7
197.11841	0.7
205.12282	9.9
206.12569	0.8
213.44312	0.4
217.07068	0.6
221.06624	1.5
223.13344	100.0
224.13701	5.8
229.61177	0.7
235.08214	2.5
263.07620	0.5
287.07635	0.9
293.20895	0.4
305.08926	1.0
309.20767	0.8
323.09726	0.5
379.12491	4.0
380.12967	0.5
397.13483	23.2
398.13754	1.2
415.14508	5.8
429.26498	1.4
441.21350	0.6
487.34201	0.6
603.26593	11.8
604.27081	1.4
621.27631	16.7
622.28217	2.0
783.38202	0.8
809.39679	3.9
827.40289	3.5
828.41479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	0.8
69.19933	1.7
69.20348	3.2
69.75675	0.6
71.01256	8.2
72.99178	0.7
73.02816	1.3
83.01250	1.4
85.02830	5.3
87.00771	1.3
87.65968	0.5
89.02318	5.1
95.01270	1.2
99.00764	0.8
99.04469	0.5
101.02331	11.6
113.02336	12.5
117.96019	0.5
119.03398	5.7
131.03429	1.3
133.02849	0.5
135.04402	1.0
137.55156	0.6
143.03362	1.6
145.02855	0.8
161.02415	1.1
161.04489	10.8
179.03329	0.6
179.05489	1.9
221.06590	1.8
263.07645	1.0
391.29886	0.7
393.31641	1.0
401.28638	0.6
407.29440	1.2
409.31097	1.6
417.27722	0.8
419.29382	1.0
421.31030	2.5
422.31290	0.9
425.30734	1.1
441.33765	6.5
442.34100	1.0
453.29871	1.2
457.33099	3.9
473.32816	4.8
485.32648	4.1
486.33182	1.2
503.33777	100.0
504.26654	0.9
504.34161	18.4
545.34839	19.1
546.35394	3.0
552.79236	0.6
575.36078	3.0
665.38800	4.1
666.39386	1.1
707.40118	4.0
726.95386	0.6
749.41394	1.4
827.44458	4.5
828.44373	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98465	0.6
61.98703	5.6
65.42447	0.8
70.77407	0.6
70.87136	0.7
71.01251	10.4
71.04892	1.0
72.99171	1.6
73.02815	2.4
74.42236	0.6
75.00747	0.6
83.01264	1.6
85.02819	5.0
87.00751	1.4
89.02312	4.9
95.01274	1.0
95.70567	0.6
96.95911	1.5
99.00747	1.1
101.02321	13.7
108.02054	1.0
109.02853	0.8
110.13951	0.7
113.02322	8.4
117.03381	0.7
119.03386	4.1
119.04855	0.7
131.03363	1.1
133.02850	3.4
135.04413	4.0
137.02336	1.9
143.03394	1.8
145.02837	1.2
147.04465	0.8
149.02379	1.0
149.06056	0.8
149.97801	0.7
161.02382	6.7
161.04485	7.3
163.03848	1.2
179.03397	3.1
179.05527	1.8
182.01202	0.6
215.64478	0.7
221.06610	1.7
256.22775	0.7
263.07825	0.9
315.07080	0.7
421.31018	0.8
441.33960	1.9
457.33212	1.1
459.34784	1.4
485.32632	12.2
486.33069	1.9
501.31979	0.9
503.33774	100.0
504.34106	16.6
545.34729	16.6
546.35248	3.2
575.35913	1.6
656.33209	0.8
665.39038	24.7
666.39380	4.7
672.06305	0.8
707.40051	6.6
708.40375	1.0
739.94904	0.9
749.41443	1.8
827.44336	14.2
828.44775	4.0
887.33649	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4644
Annotation	Nostophycin
Peak:m/z	Relative Intensity
61.98708	4.5
69.03327	1.1
71.01253	15.3
72.99175	1.3
73.02829	3.1
80.90919	0.6
83.01248	2.2
83.04909	0.9
85.02828	2.8
87.00761	3.1
89.02321	9.2
95.04954	1.1
96.95872	1.7
97.02817	2.3
97.06462	2.2
98.81698	0.7
99.00787	0.9
99.92432	0.7
101.02318	8.4
103.00228	1.2
113.02340	5.1
116.92744	5.0
119.03381	2.5
125.02344	2.3
131.03349	1.0
133.01286	0.8
135.04480	1.0
151.11183	10.4
161.02412	1.1
161.04451	1.6
169.12257	68.4
170.12602	2.7
171.10223	0.8
179.05556	1.5
190.33842	0.9
195.13860	3.3
197.11728	1.0
207.10365	0.9
209.11884	1.5
213.11255	9.3
221.06615	3.2
223.13316	2.8
235.08217	1.2
249.31795	0.7
275.20193	1.5
293.21246	11.9
322.93234	0.9
327.21741	1.2
381.80267	0.8
397.13644	1.9
415.14682	1.3
443.35468	0.9
611.25677	2.9
629.99561	0.8
887.46472	100.0
888.46802	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	26.9
68.99690	0.9
70.64809	1.4
71.01255	62.4
71.04897	4.4
72.01600	1.6
72.99193	4.7
73.02817	22.8
75.00739	2.6
75.38571	0.7
83.01260	15.4
83.07972	0.7
85.02824	40.4
86.03214	0.7
86.29251	0.7
87.00754	4.4
88.98697	0.8
89.02322	14.5
93.03336	0.8
95.01255	6.8
97.02837	1.9
99.00762	9.3
101.02323	76.0
102.02640	1.6
111.00799	0.8
113.02330	42.9
114.02730	0.9
117.03338	1.6
119.03371	3.0
119.04899	1.5
125.02334	2.2
129.01770	1.0
131.03384	1.3
132.02077	1.1
133.02820	2.5
134.03621	0.9
135.04384	1.7
137.02339	1.5
143.03413	3.9
145.02850	2.5
149.04506	0.7
149.06039	1.4
151.03937	0.9
159.02893	4.2
160.01585	1.4
161.02444	5.0
161.04465	27.6
165.01817	0.8
167.03482	1.0
175.02374	2.0
175.03935	1.9
177.01898	1.2
179.03386	3.3
179.05507	3.2
181.04874	0.9
205.03444	1.0
255.03006	5.0
256.03723	2.0
283.02423	3.8
284.03287	5.1
361.19690	0.7
439.32114	1.6
441.33627	2.5
443.31522	3.0
445.09241	1.1
457.33224	4.9
458.33572	1.1
459.34711	4.0
461.20163	2.1
467.12674	1.3
473.33029	1.4
485.32520	4.3
491.33524	1.4
492.28192	0.8
503.33618	8.0
504.34143	1.3
517.35205	2.5
531.33990	0.9
545.34882	4.1
549.22760	1.1
551.32361	0.9
555.14520	3.1
603.39026	100.0
604.39349	18.3
619.38489	3.0
620.39081	2.9
621.39795	7.3
622.40234	0.8
635.37891	8.3
636.38464	1.6
647.38324	4.3
648.37421	1.2
653.39008	10.1
654.39349	2.1
665.39056	90.4
666.39441	18.9
679.40125	1.7
707.40100	41.2
708.40222	8.2
737.41156	3.7
767.42542	1.5
887.37238	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98689	7.5
69.03340	2.1
71.01249	28.0
71.51561	1.7
71.51953	1.7
72.99169	2.8
73.02801	3.6
81.03335	2.7
83.01262	2.5
83.04906	2.8
84.16914	1.8
85.02810	6.1
87.00753	4.0
89.02313	19.1
97.02830	12.2
99.00735	3.4
101.02316	15.6
106.42691	1.5
109.01046	1.6
109.06477	30.7
109.47623	1.6
110.48422	1.7
113.02311	10.9
118.38543	1.7
119.03376	5.1
125.02344	8.8
135.08044	5.3
136.05196	2.5
141.01877	2.3
142.02646	2.1
143.03418	3.5
161.04370	3.8
161.09653	2.3
163.11186	17.7
178.71324	1.8
179.05515	3.3
181.12282	3.1
189.09134	2.9
191.33253	1.8
207.10205	100.0
208.10507	5.5
225.11269	30.7
235.08197	7.6
243.12364	1.8
256.96695	1.6
281.24860	81.5
282.24997	7.9
379.12476	10.2
397.13492	54.2
398.13687	3.4
415.14432	11.8
605.24573	5.3
623.25580	3.3
887.50049	59.5
888.50287	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	889.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98709	9.0
69.03323	5.4
71.01254	31.8
72.44077	1.1
72.99172	3.0
73.02807	5.1
73.12591	1.2
73.82029	1.2
75.00747	1.4
75.34780	1.0
78.95768	1.4
80.02522	2.0
81.03330	4.4
83.01261	3.8
83.04903	3.7
85.02811	9.9
87.00744	6.0
88.98680	3.0
89.02319	24.9
93.03332	1.1
95.01263	2.6
95.04896	3.1
96.95911	1.6
97.02830	12.5
97.06454	2.1
99.00751	3.7
101.01699	1.9
101.02327	22.2
107.04894	1.2
109.02802	1.5
109.06477	42.0
110.03601	1.4
110.06855	1.4
111.04400	1.4
113.02331	11.7
116.92755	7.1
119.03398	6.4
121.02861	1.4
121.06511	2.3
123.04378	1.9
125.02315	8.4
125.09576	2.0
133.01318	2.5
133.02829	2.7
135.04422	1.8
135.08044	4.3
136.05151	1.7
139.03903	1.1
141.01817	1.6
142.02606	2.9
143.03365	3.0
161.02322	7.3
161.04460	4.5
161.09592	3.6
163.11186	23.7
167.10655	2.7
170.80286	1.2
171.10147	2.2
179.03442	3.6
179.05467	6.8
179.10698	2.0
179.14362	2.6
181.12250	6.2
185.11739	1.9
195.13846	8.5
197.11746	2.1
201.11304	2.6
205.12357	7.1
207.10204	100.0
208.10486	4.4
209.11807	3.9
221.06638	4.7
223.13350	53.2
224.13696	4.3
225.11279	60.8
226.11630	2.3
235.08209	4.2
243.12262	1.9
263.07776	1.2
263.12747	2.1
281.13745	2.0
287.07690	1.3
290.30057	1.3
299.15060	2.2
351.23224	1.9
379.12595	1.8
385.23755	2.1
395.22430	7.0
397.13531	25.3
403.24930	3.7
413.23428	15.3
414.23529	2.4
415.14594	9.3
431.24420	10.2
485.33032	1.8
503.33746	12.3
504.34113	4.8
534.20276	1.7
605.24561	8.4
621.27863	2.6
623.25653	10.8
631.31610	1.4
637.27002	4.0
637.76642	2.0
783.38678	5.8
793.36279	15.2
794.36194	3.1
798.72778	1.6
811.37604	53.7
812.37500	12.3
829.38702	71.4
830.38989	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	889.5089
Annotation	Divinylchlorophyll a
Peak:m/z	Relative Intensity
61.98698	100.0
66.30752	15.2
69.26060	68.8
69.26480	68.7
70.59432	14.5
134.67014	15.1
143.51233	15.0
253.09259	18.9
293.21243	61.6
341.23337	60.1
416.33661	16.8
455.91788	17.7
494.43167	15.8
568.80817	15.5
577.32135	23.3
757.58221	18.1
889.50964	41.8
890.50592	23.5
919.74445	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	889.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	6.9
65.03836	1.2
69.03339	1.2
71.01257	17.1
71.52168	1.4
72.99169	1.6
73.02819	1.6
74.55438	0.9
80.96419	1.0
81.03330	1.1
83.01258	1.9
83.04906	5.2
85.02834	3.5
87.00755	6.9
89.02317	13.2
95.01263	1.4
97.02820	2.4
99.00768	1.2
101.02324	12.6
111.00820	0.7
113.00513	0.9
113.02335	8.7
116.92764	2.6
119.03424	4.7
125.02343	5.7
127.98328	0.8
143.03404	2.9
161.04501	2.1
163.11206	4.0
165.12796	1.4
179.05536	4.4
191.10689	1.1
201.23711	1.0
209.11775	100.0
210.12115	6.9
221.06644	1.2
227.12857	12.3
235.08147	7.4
235.13374	0.9
255.23283	2.0
281.24857	60.2
282.25266	5.7
287.07672	2.3
295.26514	0.9
305.08749	2.2
379.12460	7.5
397.13507	45.4
398.13892	3.7
415.14508	8.8
589.25250	1.0
679.39362	1.9
725.16693	1.0
732.69275	0.8
871.51038	2.8
889.50427	1.7
896.88647	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
62.98403	0.2
70.54118	0.3
121.73345	0.1
126.31136	0.1
223.13472	0.2
510.01270	0.1
550.81085	0.1
559.12000	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
71.01258	0.5
71.52349	0.3
72.99210	0.2
74.20541	0.2
85.02830	0.4
89.02303	0.4
89.25111	0.2
90.89751	0.2
92.53320	0.2
93.03284	0.2
95.01302	0.2
96.95943	0.2
101.02348	0.8
110.71145	0.2
113.02345	0.7
119.03355	0.2
133.02881	0.6
135.04448	0.7
137.02350	0.2
148.75711	0.2
161.02371	1.1
161.04410	0.2
179.03471	0.5
241.61919	0.2
242.74318	0.2
246.40952	0.3
249.57355	0.2
276.24414	0.2
351.65262	0.2
423.82114	0.2
444.93231	0.2
455.30984	0.2
486.33148	0.2
503.33878	0.8
504.34006	2.1
505.34457	1.9
506.34744	1.2
546.35114	0.3
654.32867	0.2
830.45502	0.5
834.95117	0.3
890.44434	1.1
891.44556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
63.88602	3.7
69.03312	3.7
71.01263	26.5
71.50997	6.3
72.99170	10.2
73.02816	6.8
73.58639	4.0
75.00738	5.4
80.02554	3.4
82.11192	3.9
83.04901	8.7
85.02826	11.1
87.00755	6.1
88.00285	4.8
88.98676	51.6
89.02322	17.1
96.95879	7.7
99.00739	3.9
101.02330	12.3
109.02794	3.6
113.02326	8.9
116.92740	25.5
117.03351	4.6
125.02314	7.6
133.02820	11.8
135.04459	22.8
143.03360	4.2
145.02834	14.6
161.02356	28.7
161.04395	4.9
162.02660	3.8
167.10686	4.7
179.03386	33.2
179.04863	4.2
179.05502	4.3
195.13756	5.7
201.11278	25.8
205.12354	4.2
209.02713	5.6
209.09914	6.1
209.11781	100.0
210.12071	8.9
211.13383	6.5
223.13351	59.3
227.12843	10.7
235.08255	4.2
244.37059	4.2
253.09306	4.0
258.89572	4.1
309.20682	9.6
335.12921	3.7
368.03958	4.0
379.12405	6.5
397.13596	34.4
415.14542	8.2
476.12753	3.9
501.32251	14.9
503.33771	17.4
522.59155	4.5
533.23767	11.6
603.26038	5.7
621.18610	5.5
621.27448	7.8
807.80750	4.5
891.43561	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	891.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
62.73692	3.6
69.50482	19.1
71.01278	6.1
78.95779	4.5
87.00754	4.8
88.98669	7.2
93.39255	4.4
99.92443	4.0
116.92741	49.0
117.92757	6.5
135.04457	3.7
152.99596	3.7
159.03696	3.8
171.10190	14.2
179.03435	5.2
192.95645	4.2
195.02441	3.3
197.11777	13.1
209.11787	5.1
211.13377	12.2
216.94414	4.4
229.14380	5.9
235.08220	11.7
236.47900	3.5
253.09253	34.9
291.19830	16.9
309.20718	100.0
310.21002	7.1
318.17896	3.5
327.21732	91.4
328.22028	9.3
545.29681	22.2
546.29883	4.4
563.30841	23.9
580.76428	4.5
749.65369	4.5
847.19257	3.9
855.50623	12.2
891.48822	59.8
892.48529	15.9
914.99628	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	892.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98411	54.9
71.01269	53.3
71.52264	36.5
84.64069	31.9
88.98689	81.1
96.95946	29.6
113.02335	34.4
116.92721	84.0
135.04445	67.2
161.02361	100.0
179.03375	60.9
209.11795	41.2
503.33987	37.4
504.33762	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	894.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01244	24.0
71.22033	27.4
78.95771	13.3
88.98682	100.0
89.02308	20.9
96.95901	18.6
101.02299	21.0
109.06507	18.0
113.02360	19.4
116.92735	24.1
133.02834	27.4
135.04387	31.8
161.02335	45.8
164.59499	12.6
179.03348	29.4
202.88362	11.4
209.11684	29.1
218.23247	11.8
339.18701	12.7
489.13876	12.4
503.33286	17.2
910.88263	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	894.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20226	61.4
69.20658	78.4
71.01237	38.2
72.99157	20.9
78.83730	14.6
78.95761	26.6
85.02828	41.0
87.00775	17.7
88.98675	100.0
89.02309	20.0
96.95905	20.9
101.02352	17.5
113.02311	19.7
116.92743	25.5
121.02707	15.1
126.77475	15.8
133.02827	46.6
135.04387	49.6
137.02242	20.9
144.57185	17.0
158.82771	15.1
161.02316	65.3
179.03453	80.3
193.27681	19.6
209.11728	35.5
263.98221	16.9
366.05591	19.4
606.68353	19.0
699.43408	21.5
706.44989	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	895.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
70.73748	1.8
71.01254	27.7
72.99171	3.2
73.02826	11.3
75.52058	1.8
77.78454	1.6
81.84496	1.7
83.01260	2.8
85.02818	12.9
87.00715	1.9
89.02299	12.3
93.03326	1.7
95.01261	2.3
98.19778	6.5
99.00771	9.3
101.02326	16.9
109.02851	4.1
113.02341	13.7
119.03354	3.8
121.02866	2.2
123.04389	3.9
125.02286	2.4
137.02426	1.7
149.04442	5.3
151.00276	8.3
159.02872	4.1
161.02342	3.5
161.04462	11.8
163.00276	1.8
163.03986	2.2
178.99783	4.5
179.03397	1.6
181.04924	4.3
183.10194	3.8
191.05408	2.1
193.04956	2.3
227.03351	2.1
243.02971	6.1
254.02394	2.4
255.02963	13.8
271.02484	34.6
272.02832	4.1
285.04132	11.1
286.04318	1.7
300.02756	80.5
301.03452	37.8
302.03854	2.4
327.14401	2.7
345.15454	18.3
387.16614	40.9
388.16922	4.6
461.07269	6.3
461.20105	1.9
463.08829	100.0
463.21936	14.3
464.09106	12.9
479.20544	2.5
776.18262	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	895.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
63.86802	0.4
69.03320	0.7
69.18543	4.1
71.01253	12.5
71.35268	0.5
72.99173	1.6
73.02818	7.9
81.03329	0.7
81.99200	0.4
83.01260	4.2
83.02386	2.4
83.04898	5.1
85.02810	3.0
87.00730	1.2
88.98664	0.9
89.02326	3.1
90.88121	0.5
93.03322	1.2
95.01266	0.6
96.95876	0.9
97.02814	0.9
97.06461	0.6
99.00776	0.6
101.02324	20.4
102.02667	0.5
102.98457	0.6
104.22082	0.5
109.02853	0.7
113.02325	4.3
119.03385	1.7
119.04938	0.6
121.02864	1.0
123.04420	0.9
125.02321	1.7
131.03404	1.4
133.02856	2.3
134.03561	0.8
135.04402	2.9
137.02304	1.2
139.03926	0.5
143.03363	1.6
145.02849	0.9
149.02393	0.6
150.03094	1.2
151.03828	0.5
152.01062	0.5
155.03416	1.2
159.04308	0.5
160.01550	0.9
161.02371	4.1
161.04456	3.5
161.05782	0.5
163.03891	0.9
165.05476	1.2
175.03912	1.3
179.03441	2.6
193.04970	0.9
193.54289	0.5
203.05557	5.8
209.11760	0.5
215.07028	0.5
221.06639	1.1
240.09016	0.7
255.11360	5.1
256.11688	2.3
257.12039	0.9
263.07553	0.7
285.03979	0.8
339.26898	0.8
357.28076	1.1
401.26944	0.9
405.31610	1.4
413.30542	1.7
421.31284	1.2
423.32596	1.3
441.33844	0.7
455.31656	1.3
461.20294	0.7
465.29709	0.9
467.31638	13.7
468.31964	2.1
479.21619	0.6
481.33325	0.9
485.32724	100.0
486.33102	17.0
499.34259	1.7
511.30881	1.1
527.33813	6.9
528.34039	1.6
557.34802	1.3
562.29529	0.8
680.24420	0.7
731.40204	1.3
826.68494	0.5
895.38751	0.8
896.38391	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.47
Annotation	Unknow
Peak:m/z	Relative Intensity
65.60793	0.3
69.03311	3.9
69.25452	3.8
71.01254	21.7
71.04888	0.7
71.68970	0.4
72.99165	2.0
73.02822	2.9
75.00747	0.5
81.03329	1.3
81.70689	0.4
83.01262	1.7
83.04892	1.4
84.68909	0.4
85.02827	5.6
85.06451	0.6
85.99980	0.4
87.00752	5.1
89.02319	16.6
93.03353	0.8
95.01268	1.7
95.04897	1.2
97.02831	2.5
97.06483	0.5
98.20564	0.8
99.00741	1.1
101.02323	14.3
109.06479	1.2
111.04422	0.7
111.08041	8.9
113.02330	8.7
113.09607	0.9
116.73292	0.4
118.43398	0.4
119.03403	4.0
121.02862	0.4
125.02342	6.1
125.09619	0.6
131.03397	1.0
133.04907	0.6
135.11728	0.4
137.09628	1.1
139.03894	0.5
141.01778	0.5
143.03423	2.6
149.09624	1.3
161.04468	3.4
167.10677	5.5
177.12825	2.4
179.03838	0.5
179.05524	5.7
179.10719	3.5
179.14325	3.6
193.12218	0.4
195.12065	0.8
195.13843	15.7
196.14238	0.6
197.06578	0.4
205.12276	8.5
206.12627	0.4
217.06963	0.4
221.06615	2.0
223.13347	76.8
224.13696	4.4
235.08167	4.1
237.15108	0.7
247.20619	2.4
253.09325	1.1
263.07755	0.7
273.18616	1.2
287.07773	1.2
291.19669	100.0
292.19974	10.3
305.08740	1.2
323.09814	1.2
333.20700	0.5
379.12390	4.3
397.13489	38.8
398.13898	3.3
415.14581	10.2
415.19974	0.6
416.15063	0.9
427.81531	0.4
479.31509	0.6
497.32590	2.2
498.33160	0.5
603.26624	5.7
604.27002	1.1
621.27612	8.7
622.28217	1.2
671.32642	4.6
672.32849	0.9
689.33936	8.0
690.34412	1.5
783.37946	0.4
877.46472	2.8
878.46454	1.0
895.46509	2.4
896.47192	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
66.66263	5.2
69.97852	21.7
71.01262	25.2
72.99185	19.1
78.59965	4.6
81.69991	4.7
87.00742	36.4
89.02325	10.7
97.06468	6.0
101.02319	10.4
111.08036	10.7
113.02285	8.0
125.09666	7.2
134.29617	5.0
163.11229	5.6
169.12299	8.4
179.10591	7.6
187.47002	5.1
191.10503	5.4
191.14348	7.0
197.11758	75.8
198.12053	8.9
209.11784	21.2
211.13356	14.8
215.12827	13.1
227.12888	9.6
245.19173	11.9
253.09190	29.3
255.23201	18.2
263.20172	10.3
289.18045	61.5
290.18469	5.2
291.19556	38.7
293.21237	5.3
307.19138	78.9
308.19577	5.0
309.20703	100.0
310.21033	7.0
339.30045	4.8
397.13467	13.6
445.20615	8.5
525.27850	6.1
543.28333	9.1
846.20673	5.7
895.48749	48.8
896.49823	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	895.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
70.94810	2.0
71.01252	11.1
71.51865	2.3
73.02807	2.5
76.55789	2.4
78.95747	3.6
80.96357	2.4
83.01264	4.0
85.02814	5.3
89.02317	6.3
91.80200	2.3
95.04913	2.1
97.02848	4.1
97.06480	6.6
101.02335	7.8
107.04817	2.0
108.12114	2.0
109.06468	2.4
111.08018	13.4
113.02355	4.9
119.03377	4.1
123.04387	3.1
123.08142	2.1
124.35334	2.3
125.02308	4.4
125.09608	8.5
125.59016	1.9
137.09596	5.4
157.08640	2.4
161.04482	5.4
163.11148	5.9
167.10658	2.2
169.12262	8.0
171.10168	4.0
179.05513	2.5
185.11754	12.0
191.14328	9.6
192.17668	2.2
193.15611	2.7
197.11766	66.7
198.12309	2.4
199.13312	5.9
207.10098	2.7
209.11792	24.0
211.13422	14.7
225.11272	3.9
227.12752	4.5
235.08235	5.4
237.11253	6.3
245.19037	21.7
253.09253	35.4
255.23244	4.7
263.20139	9.2
265.18076	2.6
289.18079	100.0
290.18347	6.2
291.19653	39.8
292.20038	2.8
307.19122	86.6
308.19519	6.4
309.20721	94.1
310.21033	8.0
525.26520	3.2
895.48828	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	895.5283
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35706	14.2
71.01251	16.0
72.99190	2.1
73.02827	4.1
75.00737	8.9
80.96414	1.9
83.01259	2.8
83.04899	3.7
85.02835	3.8
87.00763	6.6
87.04451	1.6
87.58360	1.8
88.98684	41.2
89.02324	25.0
97.02821	3.8
101.02331	10.7
102.40527	1.9
113.02351	5.1
125.02342	5.8
143.03418	2.2
161.04445	4.4
163.11183	4.0
179.05438	3.4
197.11655	2.9
209.11780	100.0
210.12170	5.2
223.13503	2.5
227.12822	14.5
235.08171	3.8
253.09241	3.4
255.20699	3.9
255.23302	57.8
256.23633	6.3
293.21207	12.1
305.08755	2.1
323.22217	8.8
379.12326	13.0
381.62189	2.2
397.13489	46.3
398.13803	4.0
415.14438	7.4
783.99066	2.1
895.48041	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	895.5427
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	6.3
71.31679	3.4
78.95792	2.4
80.96372	2.5
82.69559	1.7
85.02817	2.0
89.02312	5.4
101.02325	3.0
111.08070	2.0
113.02345	3.5
163.11180	2.4
181.12306	2.5
195.13820	6.4
197.11844	11.0
209.11647	1.9
223.13380	7.2
235.08250	2.8
244.83685	2.3
253.09274	25.6
273.18582	2.7
275.20181	8.7
291.19656	17.3
293.21216	100.0
294.21570	7.9
323.22241	94.1
324.22583	7.7
397.05490	2.0
895.47656	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	896.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98394	34.7
69.32380	40.5
69.32800	80.0
71.01253	55.6
83.59639	14.7
85.02837	19.0
98.19826	30.2
101.02348	23.2
113.02306	33.5
121.02840	26.3
123.04385	17.1
133.02858	25.2
135.04395	57.3
137.02382	17.7
153.14772	15.7
161.02319	94.0
179.03444	100.0
180.03801	16.0
196.26180	15.7
209.11711	33.6
313.01660	17.1
397.13406	22.7
416.00558	17.4
485.32333	18.7
487.34067	43.9
718.25415	20.1
815.31525	45.3
896.35712	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24680	2.1
69.25105	2.0
71.01250	4.9
71.04882	0.5
73.02821	5.0
83.01270	3.1
85.02841	0.8
89.02318	1.7
101.02323	14.5
113.02318	1.9
119.03368	1.4
125.02345	0.9
143.03407	1.5
155.03374	0.6
161.04472	1.9
198.55763	0.4
203.05527	4.0
221.06612	0.7
251.39134	0.4
263.07773	0.9
314.35724	0.5
336.38043	0.4
343.92200	0.4
407.33115	0.8
419.53552	0.4
423.32288	0.5
425.34366	0.7
427.32053	3.3
428.32663	0.7
428.47610	0.4
443.35400	1.1
469.33206	9.3
470.33582	1.6
487.34283	100.0
488.34619	18.7
501.35571	1.3
529.35364	5.3
530.35980	0.7
589.37885	0.6
623.64240	0.5
675.65381	0.6
733.41833	1.2
818.83337	0.5
853.45563	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	897.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	5.2
71.04888	1.3
72.99176	0.3
73.02821	6.7
76.52187	0.3
83.01260	2.5
85.02809	1.2
89.02313	1.4
91.15398	0.3
97.02818	0.4
98.20662	0.6
101.02326	13.1
113.02317	1.7
118.61385	0.4
119.03384	1.0
125.02311	0.9
127.62211	0.3
131.03392	0.8
133.02849	0.3
139.51257	0.3
143.03391	1.2
155.03421	0.4
161.04456	1.4
172.48344	0.4
203.05573	3.4
221.06566	0.5
263.07639	0.5
291.54022	0.4
371.79544	0.3
377.28342	0.4
423.32660	0.5
427.32175	4.3
428.32620	0.5
428.47659	0.3
437.30698	0.5
443.35397	0.6
467.31604	1.9
469.33200	10.0
470.33481	1.7
487.34293	100.0
488.34610	18.3
501.35803	1.7
508.31406	0.4
529.35388	4.8
530.35760	0.4
559.36261	0.5
589.37305	0.6
733.41779	1.0
775.43573	0.5
853.46252	1.0
854.47498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.449
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98371	0.3
68.37216	0.3
69.24321	0.5
69.24734	2.0
71.01255	7.1
72.99187	0.6
73.02821	3.5
75.00719	0.4
78.95769	0.5
83.01252	2.7
85.02825	1.8
87.00736	0.8
88.98681	1.3
89.02308	1.6
93.03365	0.3
94.66378	0.3
95.01258	0.6
96.95882	0.7
97.02840	0.8
99.00764	0.7
101.02321	14.5
102.02658	0.3
111.00737	0.4
112.46463	0.3
113.02325	2.8
116.92715	1.6
119.03402	1.2
119.04852	0.5
125.02358	1.6
131.03384	0.8
133.02844	1.0
135.04385	1.2
136.04813	0.3
137.02319	1.0
143.03407	1.4
145.02905	0.5
149.04532	0.4
152.01019	0.3
155.03380	0.7
160.01611	0.4
161.02419	2.3
161.04489	2.4
162.02759	0.3
163.03876	0.5
167.03404	0.3
177.01849	0.6
179.03400	2.0
180.03812	0.4
184.05571	0.3
197.11766	0.3
203.05574	4.9
209.11784	1.3
215.06987	0.3
221.06633	1.1
226.01056	0.3
263.07715	1.2
305.08701	0.6
356.24823	0.5
387.33105	0.3
391.15320	0.3
421.31009	0.4
487.34296	100.0
488.34625	18.3
488.41922	0.6
501.35501	1.4
529.35272	8.4
530.35474	1.5
559.36511	0.9
571.36768	0.4
589.37695	0.4
607.06647	0.3
631.38818	0.5
632.05286	0.4
733.41870	0.8
816.32507	0.6
853.45752	0.5
897.38733	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
62.75618	0.5
65.53898	0.6
69.03315	1.2
70.81080	1.1
71.01254	25.2
71.04909	0.6
72.59542	0.5
72.99190	1.6
73.02818	18.7
75.00753	1.7
78.95779	1.1
83.01260	9.4
85.02817	6.8
87.00748	4.4
89.02310	4.6
93.03316	0.7
93.68007	0.5
95.01250	1.6
96.02594	0.6
96.77264	0.5
96.95919	1.1
97.02846	1.3
99.00755	1.8
101.02320	38.4
102.02670	1.2
111.00713	0.6
113.02325	11.8
117.03364	0.9
119.03395	6.0
119.04874	1.3
125.02333	2.7
131.03392	5.8
133.02829	2.6
135.04399	2.5
137.02306	0.9
143.03386	4.3
145.02856	1.6
149.02295	0.8
149.04445	6.8
155.03381	0.9
161.02443	4.0
161.04471	17.3
163.03902	1.0
166.01961	0.6
177.01842	2.3
179.03378	2.5
201.35255	0.6
203.05518	11.1
203.07259	1.0
209.11771	3.9
210.12146	1.2
215.07079	0.7
221.06618	22.4
222.06952	1.3
230.09312	0.5
247.09172	0.6
263.07697	18.5
263.10510	1.0
264.08160	0.8
305.08740	17.0
306.09109	1.1
315.34286	0.7
435.32901	0.6
441.33633	2.0
443.35193	2.6
447.74377	0.7
457.33353	0.9
475.34351	1.7
476.34225	0.7
485.32721	6.2
486.33026	1.0
487.34280	100.0
488.34579	17.8
501.36267	1.2
503.33780	54.0
504.34192	10.1
529.35431	6.9
530.35492	0.9
545.34576	3.7
563.44464	0.7
573.34167	1.0
733.42267	1.3
812.44165	0.8
853.45386	3.2
854.46320	1.4
897.39832	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	897.449
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98371	0.3
68.37216	0.3
69.24321	0.5
69.24734	2.0
71.01255	7.1
72.99187	0.6
73.02821	3.5
75.00719	0.4
78.95769	0.5
83.01252	2.7
85.02825	1.8
87.00736	0.8
88.98681	1.3
89.02308	1.6
93.03365	0.3
94.66378	0.3
95.01258	0.6
96.95882	0.7
97.02840	0.8
99.00764	0.7
101.02321	14.5
102.02658	0.3
111.00737	0.4
112.46463	0.3
113.02325	2.8
116.92715	1.6
119.03402	1.2
119.04852	0.5
125.02358	1.6
131.03384	0.8
133.02844	1.0
135.04385	1.2
136.04813	0.3
137.02319	1.0
143.03407	1.4
145.02905	0.5
149.04532	0.4
152.01019	0.3
155.03380	0.7
160.01611	0.4
161.02419	2.3
161.04489	2.4
162.02759	0.3
163.03876	0.5
167.03404	0.3
177.01849	0.6
179.03400	2.0
180.03812	0.4
184.05571	0.3
197.11766	0.3
203.05574	4.9
209.11784	1.3
215.06987	0.3
221.06633	1.1
226.01056	0.3
263.07715	1.2
305.08701	0.6
356.24823	0.5
387.33105	0.3
391.15320	0.3
421.31009	0.4
487.34296	100.0
488.34625	18.3
488.41922	0.6
501.35501	1.4
529.35272	8.4
530.35474	1.5
559.36511	0.9
571.36768	0.4
589.37695	0.4
607.06647	0.3
631.38818	0.5
632.05286	0.4
733.41870	0.8
816.32507	0.6
853.45752	0.5
897.38733	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03304	2.8
71.01255	14.8
71.04895	0.5
71.28184	0.3
71.28517	0.3
72.99177	0.9
73.02812	2.2
75.00714	0.2
81.03326	0.6
83.01241	1.4
83.04899	0.3
85.02827	3.2
85.06449	0.4
87.00745	2.8
89.02319	13.2
92.82140	0.3
93.03341	0.2
95.01264	1.1
95.04867	0.6
97.02824	2.2
99.00762	1.1
99.04395	0.2
101.02325	10.6
102.02680	0.2
109.02839	0.3
109.06491	0.5
111.00792	0.3
111.04405	0.4
111.08028	0.4
113.02334	6.1
113.09584	0.3
114.02672	0.3
115.03935	0.3
119.03393	3.2
121.02827	0.3
124.01546	0.3
124.26161	0.3
125.02341	4.2
125.09631	0.4
131.03369	1.0
133.04971	0.3
139.03912	0.4
141.01793	0.6
143.03394	2.1
145.04991	0.3
149.04433	0.4
149.09581	0.6
161.04469	2.8
161.13246	0.3
167.10690	2.9
169.05064	0.4
177.12753	0.6
179.05511	3.7
179.10703	0.9
179.14323	2.6
185.04514	0.3
195.13840	14.4
195.72377	0.2
196.14388	1.3
205.12279	7.4
206.12630	0.3
211.13452	0.4
217.07196	0.4
221.06598	1.8
223.13348	68.0
224.13704	4.6
225.14915	0.8
228.13477	0.4
231.21149	0.3
235.08179	4.4
244.71228	0.2
247.13489	0.3
253.09277	0.8
256.13107	0.9
263.07700	0.3
265.14435	0.3
265.21713	0.4
275.20139	4.8
276.20273	0.3
287.07724	1.2
293.21222	100.0
294.21555	9.3
301.09216	0.3
305.08832	1.5
323.09790	1.2
341.10693	0.3
379.12393	2.7
397.13477	33.7
398.13861	2.8
415.14572	13.3
416.14804	0.9
499.34195	0.7
603.26508	3.9
604.26642	0.8
621.27643	8.5
622.27856	1.4
673.34778	1.4
674.34497	0.3
691.35571	1.9
692.36444	0.4
828.41699	0.5
897.49475	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
64.54105	2.1
66.30789	1.6
66.65513	2.0
66.65890	1.9
69.32484	17.3
71.01254	100.0
72.99181	5.2
73.02811	4.2
75.00736	3.8
76.70820	1.8
78.95788	14.8
79.95634	2.1
80.96384	7.4
83.04913	2.6
85.02815	8.0
87.00754	6.7
89.02319	20.8
94.97986	2.5
97.02796	4.3
99.00742	4.8
101.02330	23.3
109.06458	6.6
113.02325	12.2
114.91016	2.2
119.03386	6.3
125.02326	8.6
125.09597	3.0
127.11169	2.9
141.01736	2.0
142.02586	2.1
143.03387	5.5
152.99486	2.7
157.96822	1.9
161.04449	3.5
163.11220	4.6
171.10182	51.1
179.05577	5.7
181.12189	2.4
181.22516	2.1
183.10213	2.3
199.09682	11.7
199.13313	2.2
201.11250	16.6
207.10205	25.2
209.11740	2.6
221.06711	3.0
225.00629	2.6
225.11261	14.7
235.08177	6.2
241.01099	7.1
243.12317	4.6
253.09224	3.3
255.23289	87.6
256.23569	7.1
287.07758	2.1
322.70105	2.7
343.21231	3.6
379.12418	7.8
397.13513	48.0
398.13757	3.9
409.93869	2.3
415.14548	9.8
433.90015	2.2
520.77301	2.4
720.28741	2.4
789.85449	2.4
835.46832	4.8
861.48688	15.9
862.49640	4.3
879.50177	3.9
897.49915	47.9
898.50323	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	897.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
67.08182	1.2
69.03344	3.5
71.01256	100.0
71.51936	1.4
72.99180	4.5
73.02816	6.8
75.00749	77.4
78.95795	2.3
80.96380	2.2
81.03358	2.6
83.01245	2.3
83.04901	2.2
85.02824	8.9
87.00771	7.6
89.02325	17.2
89.34608	1.3
95.01239	3.1
97.02831	5.4
99.00772	3.8
101.02328	17.9
108.12981	1.2
109.06465	7.0
111.04362	1.3
113.02343	9.4
119.03370	5.5
125.02341	8.3
125.09583	2.5
126.35069	1.2
127.11182	2.7
141.01825	2.4
143.03432	4.4
161.04471	4.1
163.11186	3.9
171.10187	49.8
172.10532	2.3
176.23853	1.3
179.05531	5.6
181.08696	1.5
181.12183	2.9
197.11804	1.4
199.09666	11.6
201.11250	14.2
204.46008	1.2
207.10210	19.1
209.11879	2.0
221.06657	1.4
221.11850	7.6
225.11235	14.4
233.02362	1.2
235.08147	7.6
239.12840	4.2
241.01111	1.4
243.12299	1.2
250.20499	1.3
253.09280	2.4
255.23285	78.1
256.23679	5.4
263.07611	2.0
277.21655	3.0
287.07751	2.2
293.21207	3.5
309.20718	1.4
370.24872	1.3
379.12488	6.6
397.13531	49.6
398.13821	3.2
415.14636	10.4
529.13849	1.3
623.25537	3.0
653.37054	2.0
738.44781	1.7
835.47461	3.5
861.48431	12.6
862.49615	3.6
879.49261	5.0
897.50531	27.3
898.50879	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	898.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98399	15.2
68.70657	8.2
71.01258	70.2
73.02811	23.9
74.53280	9.8
78.53570	10.0
85.02823	34.7
87.00774	19.4
88.98681	39.7
89.02304	28.1
96.95895	45.9
99.00748	12.9
101.02328	51.9
109.02912	9.6
113.02361	43.9
114.29869	9.0
117.03353	12.8
119.04879	13.8
119.43422	8.8
131.03433	8.9
132.02052	24.8
133.02838	39.8
134.03619	73.6
135.04395	42.6
137.63513	9.4
145.02841	39.3
160.01527	70.4
161.02382	77.7
161.04482	15.1
175.03896	85.9
179.03395	44.5
193.05016	41.3
209.11780	32.8
221.06546	15.5
263.07721	15.4
303.52850	9.8
327.14612	12.9
345.15509	36.2
346.15759	12.8
487.34048	13.7
488.34509	26.4
550.09979	14.1
582.32214	8.9
623.19757	25.2
737.26184	14.0
764.85712	11.6
801.46979	9.9
898.37207	13.5
899.40131	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98405	35.5
66.86589	33.7
71.01250	74.1
75.00745	48.0
78.95786	42.0
80.96367	45.9
88.93693	38.9
88.98656	43.6
142.07437	33.9
154.59435	39.7
203.72475	39.0
207.10228	72.1
277.21539	47.0
289.18192	49.5
293.21115	100.0
397.13443	89.8
402.33984	40.5
899.45685	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
63.62081	0.6
65.70470	0.6
68.02833	0.5
68.99694	0.8
69.03318	2.2
69.42366	5.5
69.72601	0.6
71.01254	21.9
72.99171	1.3
73.02821	2.6
75.36446	0.6
80.02568	1.5
81.03336	4.2
83.01260	2.8
83.04893	3.3
84.71537	0.7
85.02807	5.0
87.00751	4.5
89.02322	16.3
93.03335	0.9
95.01276	1.3
95.04882	0.9
97.02838	11.3
98.20536	1.2
99.00747	2.8
101.02325	15.4
106.98651	0.7
107.04926	1.9
109.06477	30.1
110.03603	1.4
110.06818	1.6
111.00766	0.9
113.02331	10.0
119.03425	4.5
121.06472	1.8
121.27885	0.7
123.04400	3.7
125.02338	5.0
125.09617	1.3
128.56784	0.6
131.03358	0.8
135.08061	3.4
136.05186	1.8
139.03909	0.6
141.01807	1.1
142.02592	3.3
143.03421	3.0
161.04456	3.0
161.09624	2.0
163.11198	19.3
164.11429	0.8
171.10211	1.0
179.05508	5.4
179.10724	1.4
181.12231	5.7
189.09145	2.3
195.13849	8.9
200.83755	0.7
207.10211	89.7
208.10646	4.6
209.11749	4.8
211.13246	0.8
221.06593	1.8
223.13344	5.6
225.11278	46.1
226.11656	3.1
227.12897	0.9
235.08237	4.7
243.12381	2.4
252.81177	0.7
256.13217	1.5
263.07739	0.8
275.20190	4.6
281.13965	1.4
287.07916	0.9
291.19437	1.0
293.21234	100.0
294.21555	10.3
299.15030	1.6
305.08710	1.8
323.09848	0.8
379.12454	2.2
397.13489	37.2
398.13852	3.3
415.09128	1.2
415.14581	18.0
416.14954	0.8
445.98462	0.7
457.33029	0.9
561.81128	0.9
572.04980	0.7
587.23541	1.0
605.24567	8.9
606.24695	1.5
623.25671	8.8
624.25385	1.2
703.47601	0.8
762.61633	1.0
881.45728	2.6
882.45685	0.9
899.46503	55.3
900.46667	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	899.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
66.19543	0.3
69.03293	2.1
71.01250	13.0
71.04884	0.4
72.99173	1.5
73.02824	1.4
75.00742	0.5
78.95798	0.5
80.96375	1.1
81.03346	1.0
83.01249	1.3
83.04881	0.5
83.46095	0.3
85.02821	2.8
87.00759	2.6
89.02315	9.7
91.03958	0.4
93.03333	0.4
95.01257	0.7
95.04923	0.5
97.02835	2.1
97.06461	0.6
99.00749	0.8
101.02319	8.5
109.06513	0.5
113.02328	5.0
113.09602	1.1
119.03370	2.4
121.02843	0.5
123.04375	0.6
125.02335	3.2
131.03455	0.3
133.02817	0.4
135.04410	1.6
143.03400	1.9
149.04468	0.4
161.02348	1.9
161.04456	2.0
167.10687	1.9
169.12241	0.6
174.68790	0.3
177.12712	0.5
179.03392	1.6
179.05557	3.6
179.10741	0.5
179.14317	2.9
184.00102	0.3
195.13835	18.7
196.14215	0.8
197.11786	0.9
205.12273	4.9
207.10260	0.5
209.11760	0.5
211.13324	1.1
217.06850	0.4
221.06639	1.6
223.13342	48.7
224.13672	3.9
225.11096	0.4
225.71199	0.3
227.72722	0.4
235.08209	3.2
241.14357	0.5
253.09274	1.2
263.07803	0.4
267.99341	0.3
277.21722	13.5
278.21939	1.0
287.07742	1.1
293.21219	1.2
295.22769	100.0
296.23105	10.8
305.08878	1.0
319.22934	0.4
323.09769	0.9
342.04382	0.4
379.12408	2.4
397.13464	23.3
398.13663	1.8
415.14578	10.1
416.14871	1.1
501.35724	1.0
502.36215	0.4
549.48645	0.4
603.26782	2.1
604.27301	0.6
621.18213	1.2
621.27625	4.8
622.27863	0.8
675.35944	0.8
693.37122	2.9
899.46570	3.9
900.47467	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.5371
Annotation	Unknow
Peak:m/z	Relative Intensity
68.97315	3.8
69.03339	5.9
71.01259	16.6
71.45644	3.1
71.52187	3.5
80.96391	11.5
81.17142	3.2
85.02822	13.6
87.00783	5.6
89.02322	12.0
96.95908	6.9
97.02852	7.8
101.02325	10.2
109.06501	7.5
113.02332	8.7
116.92811	3.3
119.03443	4.4
128.62967	3.6
130.41519	3.5
131.40184	3.5
161.02347	6.4
161.04352	3.2
163.11261	6.1
171.10159	29.2
179.05376	4.1
183.13712	3.5
195.13889	5.5
197.11763	5.5
207.10197	14.0
209.11755	9.2
211.13354	11.8
223.13332	6.0
225.00798	3.6
225.11272	12.9
229.14323	5.3
235.08401	4.5
253.09277	24.0
275.20230	7.7
291.19699	8.9
293.21188	100.0
294.21582	10.3
307.18991	5.6
309.20584	5.1
327.21786	57.8
328.21970	6.5
397.13507	18.7
479.85678	3.6
529.35205	15.5
563.30737	10.4
603.42700	5.3
702.33881	3.8
899.45453	21.6
900.45331	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	900.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98395	6.5
67.65467	3.7
70.26805	13.3
71.01253	32.3
71.88918	3.7
73.02811	5.5
73.18499	3.4
79.95621	8.3
80.96395	26.4
81.03320	4.8
83.04890	4.3
85.02812	6.6
87.00751	7.2
89.02322	22.4
91.11562	3.9
94.97947	5.3
96.95879	8.3
97.02846	4.7
97.04420	3.5
97.06479	4.2
99.00755	8.0
101.02327	21.6
113.02309	10.6
116.92741	16.7
119.03386	6.3
125.02361	5.4
125.09602	4.1
135.04416	4.1
140.39146	3.7
143.03371	4.1
161.02255	6.4
161.04500	4.7
171.10191	13.8
179.05614	4.3
181.12329	4.5
195.13731	12.1
196.14029	4.3
197.11803	9.8
199.13286	3.8
200.14153	3.8
201.11333	4.2
207.10168	19.3
209.11812	6.2
211.12941	3.9
222.20889	3.9
223.13388	28.3
224.13638	10.2
225.00569	9.3
225.11217	27.0
234.46759	3.9
241.00865	3.8
243.12341	5.6
265.14706	7.0
277.21716	37.5
278.22034	4.9
293.21335	6.8
295.22733	54.7
296.23087	33.2
333.28912	4.2
350.75882	4.1
397.13510	33.0
398.13821	8.0
415.14465	9.6
622.27100	4.0
644.36963	4.9
664.30835	5.3
666.13293	4.0
751.30438	4.4
883.46759	13.3
900.47089	26.4
901.47174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98419	13.6
68.23666	10.8
70.89762	15.7
71.01262	22.8
95.54337	8.6
99.92439	9.5
122.97614	10.4
131.91643	9.9
137.32425	11.1
141.06335	8.4
197.11737	38.6
225.11308	15.8
253.97083	9.9
255.36136	9.4
277.21738	27.6
278.22073	9.9
298.22382	11.3
374.43466	11.4
566.89258	12.3
665.70813	13.3
900.46783	100.0
901.47443	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
68.06828	0.2
68.99689	0.3
69.03333	0.9
71.01255	14.4
72.21976	0.3
72.99185	3.2
73.02828	2.1
75.00758	0.4
80.02538	1.6
81.03339	2.3
83.01258	1.7
83.04896	5.6
84.02039	1.0
85.02826	3.4
85.41206	0.3
87.00749	3.4
89.02320	11.6
90.02637	0.4
93.03346	0.3
95.01261	0.8
95.04910	1.0
96.95879	0.5
97.02834	2.4
99.00752	0.9
101.02328	11.4
101.03002	0.6
111.04369	0.6
111.07998	0.4
111.62314	0.3
113.02333	7.0
114.56499	0.3
119.03391	3.0
125.02345	3.7
125.06006	0.8
131.03391	0.8
133.26154	0.3
135.08075	0.7
139.03938	0.5
143.03438	1.7
147.11700	0.3
149.04482	0.4
161.04462	2.7
163.11203	5.1
165.12796	2.7
179.05521	3.6
179.14348	0.5
181.12256	0.6
183.13821	0.4
191.10692	1.2
195.13832	5.8
196.14310	0.4
205.12271	0.5
205.15926	0.6
209.11774	100.0
210.12119	5.7
211.13324	0.6
217.07066	0.5
221.06628	0.9
223.13373	4.3
224.13800	0.6
227.12837	11.0
228.13448	1.2
229.38681	0.4
231.21208	0.3
235.08203	4.6
251.12971	0.4
253.09315	0.8
256.13177	0.7
263.07797	0.4
275.20163	4.0
276.20584	0.3
287.07809	1.3
293.21231	97.7
294.21561	7.7
301.09116	0.3
305.08798	1.2
323.09973	1.2
379.12411	3.8
397.13513	39.1
398.13800	3.4
415.14575	12.2
416.14777	0.9
485.32397	0.3
487.34412	0.5
543.06384	0.3
568.92456	0.3
589.25500	0.4
607.26160	3.2
673.34760	0.5
744.65271	0.3
901.46313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	1.2
69.40144	2.7
71.00845	0.8
71.01248	15.4
71.04845	0.3
72.99188	1.3
73.02814	2.6
75.00763	0.4
79.93006	0.3
80.02567	1.1
81.03332	1.5
83.01279	1.1
83.04893	5.0
84.02044	1.0
85.02821	3.8
87.00768	2.8
89.02312	11.7
95.01248	1.3
95.04885	1.1
96.95872	1.2
97.02833	2.6
99.00769	1.0
101.02319	10.2
109.06478	0.9
111.04409	0.6
111.08027	0.5
113.02336	6.8
116.92748	0.5
119.03368	2.8
125.02339	4.3
125.05978	0.6
131.03413	0.7
135.08084	0.6
139.03874	0.5
143.03386	2.6
161.04468	2.6
163.11200	4.2
165.12790	2.5
171.10222	1.1
179.05533	3.5
179.14307	0.4
181.12277	0.9
191.10681	1.5
195.13841	6.4
196.14378	0.8
199.13371	0.4
205.12280	0.6
207.10364	0.5
209.11768	94.1
210.12137	4.3
211.13344	1.6
217.07166	0.5
221.06624	1.7
223.13342	5.5
224.81747	0.4
225.14902	1.2
227.12836	12.6
228.13440	0.6
235.08209	4.9
243.15843	0.4
253.09261	1.5
256.13107	0.9
263.07703	0.7
275.20139	4.9
287.07697	1.7
291.19638	0.4
293.21213	100.0
294.21561	6.8
305.08716	1.9
309.20779	0.7
317.21210	0.6
323.09937	1.1
341.23242	3.4
379.12451	3.1
397.13486	35.8
398.13965	2.3
415.09045	0.7
415.14548	13.8
416.14978	0.8
437.66144	0.5
485.33322	0.4
589.25458	0.8
607.26202	1.9
616.51770	0.4
673.34015	0.9
691.35474	1.0
901.47778	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98402	60.7
63.25803	19.6
63.57981	21.1
65.17919	20.6
69.22115	100.0
69.22535	95.2
71.01252	40.9
144.60690	21.7
149.85188	23.5
171.10165	52.0
172.10638	26.4
187.67912	20.0
194.08537	28.3
201.11200	24.0
202.23347	23.9
209.11760	27.0
225.11307	42.2
265.17767	21.4
277.21545	37.5
278.22321	35.1
296.33649	23.0
371.44083	23.7
397.13174	35.1
398.13678	37.2
438.09940	24.9
475.15488	22.1
536.29956	30.0
902.46313	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43543	4.4
71.01249	4.8
71.04881	2.1
72.51291	0.5
72.99156	1.0
73.02815	1.3
75.00747	3.0
85.02797	1.4
87.00744	1.0
89.02311	2.1
96.95877	0.7
98.20485	1.3
98.71358	0.6
101.02322	2.7
113.02320	2.0
119.04842	0.7
133.02811	0.7
134.03561	1.2
135.04408	1.1
137.02338	1.8
149.02298	0.8
150.03093	0.7
160.01686	1.3
161.02310	1.2
161.04480	0.7
167.03485	0.6
175.03929	2.1
188.80354	0.6
193.05017	0.7
221.06660	1.0
249.03325	0.6
395.29630	0.7
437.30511	4.1
438.30786	1.4
455.31592	3.7
456.31940	1.0
457.29166	0.7
473.32626	2.0
499.30569	11.5
500.31000	1.8
503.33698	2.0
504.34204	2.5
517.31702	28.9
518.32117	4.9
520.33447	0.7
559.32849	1.8
709.30804	3.8
841.42267	100.0
842.42596	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00189	0.6
67.01765	0.3
68.99686	0.3
69.29483	1.0
71.01253	4.6
72.99180	1.0
73.02818	0.5
75.00743	2.4
83.01270	0.3
84.02039	0.3
85.02824	11.3
86.03143	0.1
87.00747	1.4
89.00188	0.1
89.02328	0.8
93.03340	0.3
94.39204	0.1
95.01266	3.4
99.00755	4.1
100.01103	0.2
101.02337	0.2
103.00249	2.2
105.03371	0.2
107.01267	1.5
109.87513	0.1
111.00747	0.2
113.02330	27.2
114.01959	0.1
114.02644	0.6
115.00231	0.7
117.01839	1.2
117.03339	3.6
118.03663	0.1
121.02859	0.2
123.62121	0.1
129.01816	0.9
129.90132	0.1
135.04402	0.1
139.00282	0.2
147.02904	0.1
149.02339	1.7
151.00266	1.3
154.36223	0.1
155.04846	0.1
157.01295	0.5
157.06583	0.1
159.04424	1.2
161.02386	0.7
166.91307	0.1
169.06534	0.4
171.04445	0.1
173.05931	0.1
175.02399	16.6
176.02727	0.5
180.05742	0.2
181.06476	0.4
183.04449	0.6
193.20122	0.1
196.05327	0.2
197.06023	0.8
201.05525	0.6
203.03401	0.2
204.66057	0.1
213.05460	0.2
224.04739	0.3
225.05499	1.6
227.03381	0.5
241.05084	0.1
249.78209	0.1
268.03870	0.2
269.04550	100.0
270.04892	6.6
311.05573	0.2
341.06693	0.1
420.37775	0.1
427.06891	0.2
445.07745	43.3
446.08060	4.7
486.92935	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	911.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
67.11778	0.8
69.34173	3.7
69.34592	2.2
71.01254	7.7
72.99190	1.1
73.02824	3.6
75.00739	1.8
75.49121	0.8
78.28588	0.8
78.95805	1.3
80.96392	1.2
83.01267	1.4
85.02818	4.1
87.00732	1.5
88.98655	1.5
89.02303	1.7
93.03323	0.9
94.97970	1.0
95.01234	0.9
96.95872	2.6
98.20546	1.9
99.00758	1.6
101.02338	4.5
106.78997	0.9
113.02341	6.0
119.03439	0.9
119.04923	2.8
133.02826	5.4
135.04425	5.6
137.02339	3.4
145.02841	1.8
150.03114	1.5
152.07005	0.9
161.02359	11.4
161.04471	1.6
163.03902	1.7
179.03410	6.3
187.07539	2.7
208.74695	0.8
209.11783	2.7
215.07092	2.9
219.06502	0.9
221.06535	1.4
229.08702	0.9
231.06589	1.4
257.08145	3.2
275.43512	0.8
284.03278	1.0
294.93451	0.8
313.61380	1.0
359.55768	0.9
386.40363	0.9
405.27667	1.6
421.31113	8.7
422.31696	1.2
439.32205	8.9
440.32455	1.1
455.31433	1.5
483.31198	1.6
501.32205	75.0
502.32581	13.3
543.33228	3.6
747.39111	2.1
814.24817	2.0
825.42444	1.2
867.43927	100.0
868.44366	24.4
911.41797	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
66.78294	0.4
69.03311	1.0
70.86288	0.4
71.01250	10.7
72.99165	0.7
73.02817	5.9
74.98955	0.5
75.00733	0.6
78.95753	0.5
83.01255	3.1
83.04892	3.8
85.02824	2.7
86.17237	0.4
87.00730	1.2
89.02326	1.4
93.03344	0.4
95.01270	0.6
96.95863	0.7
97.02842	0.8
98.20592	0.9
99.00745	0.9
101.02324	18.0
102.02642	0.4
107.78078	0.4
111.00734	0.4
113.02327	4.2
119.03386	1.5
119.04921	0.4
125.02323	1.4
131.03403	1.2
133.02867	1.1
134.86201	0.5
135.04422	3.0
137.02342	0.8
142.11925	0.4
143.03391	1.5
145.02850	0.5
149.04431	0.9
150.03096	0.6
158.23201	0.4
161.02408	3.1
161.04442	2.8
163.03902	0.5
168.19180	0.4
177.01906	0.8
179.03452	2.1
187.03941	0.4
203.05537	4.8
221.06653	1.9
263.07700	1.6
299.04803	0.5
305.08813	0.6
353.24899	1.2
365.29605	0.4
373.27441	1.5
417.27841	1.1
419.29254	0.6
429.29956	0.7
437.30621	0.5
451.28378	0.6
457.33163	0.6
471.31256	1.3
483.31094	13.6
484.31564	2.3
497.32703	1.2
501.32214	100.0
502.32581	15.7
515.33978	0.7
534.85413	0.5
543.33270	13.7
544.33423	2.3
573.34332	1.9
603.35242	0.8
664.05658	0.5
705.39325	0.7
747.40009	0.6
893.27075	0.9
894.29791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	1.1
71.01256	24.7
71.01621	2.1
71.04900	13.2
72.99171	2.4
73.02821	15.6
75.00757	2.1
78.95786	1.6
81.03299	1.2
83.01263	5.0
83.04901	1.4
85.02826	7.8
85.06014	1.3
85.99972	1.1
87.00748	4.4
89.02322	3.8
90.07722	1.4
93.03342	1.7
95.01226	1.5
95.04908	1.3
96.66741	1.1
96.95918	3.2
97.02840	1.3
99.00742	2.7
101.02325	25.3
111.00739	1.2
113.02327	13.0
119.03399	1.9
123.04418	1.4
125.02361	4.1
131.03392	5.3
133.02855	5.0
135.04440	5.0
137.02353	1.3
143.03441	3.0
145.02882	1.6
149.04456	2.1
160.01582	1.3
161.02397	9.3
161.04469	8.3
163.03831	1.3
165.05486	1.6
174.67793	1.2
179.03447	3.9
201.36165	1.1
203.05563	13.5
205.15936	3.6
209.11819	4.5
221.06627	7.8
230.20239	1.3
263.07700	21.0
305.08780	2.4
321.22220	1.8
325.82727	1.3
337.25186	2.0
339.26697	1.4
351.27097	3.1
355.26407	4.3
369.27951	4.0
375.20035	1.8
399.25348	2.4
401.26947	1.8
413.26923	3.9
423.32764	10.4
424.32855	1.3
437.31113	1.7
439.32260	7.5
441.33713	38.5
442.33981	5.8
443.31601	11.0
444.31750	1.5
455.31497	4.5
457.33194	10.0
469.33289	1.3
473.32721	14.2
474.33142	1.8
477.93881	1.3
485.32718	38.3
486.33057	4.8
487.34274	9.6
488.34399	1.6
503.33804	100.0
504.34113	18.0
517.35443	16.3
529.32037	2.2
545.34894	39.8
546.34937	6.2
575.35663	2.3
605.37207	2.1
665.38483	1.7
703.14056	1.4
707.39838	1.3
795.40607	1.5
910.30286	1.2
913.40558	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	913.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	0.9
71.01253	22.7
71.04900	10.3
71.51720	0.9
72.99168	1.3
73.02823	15.6
75.00739	3.0
78.17047	0.6
81.57101	0.7
83.01259	7.6
83.04894	1.0
83.36246	0.8
85.02827	5.8
87.00770	3.8
87.50854	0.7
89.02304	4.3
96.95887	1.2
97.02832	1.7
97.06456	0.9
99.00738	1.1
101.02328	38.9
109.37829	0.7
113.02341	9.1
117.03342	0.8
119.03432	3.6
119.04903	1.3
125.02303	2.7
131.03406	5.5
133.02843	1.7
135.04379	2.2
143.03375	3.0
145.02863	1.5
149.04446	2.5
159.02859	0.9
161.02431	3.4
161.04460	8.3
163.03903	1.7
166.85066	0.9
175.03874	1.2
179.03435	1.6
203.05547	17.2
205.15894	4.3
209.11766	1.7
221.06667	8.7
263.07703	21.6
263.10489	1.3
264.08127	0.9
285.04095	1.6
305.08801	3.1
321.22269	1.0
337.25330	2.7
351.26865	1.5
355.26550	0.9
369.27887	1.4
379.30316	0.9
393.28082	1.5
407.29001	1.2
409.31241	2.4
410.22253	0.7
413.26886	1.9
421.31293	0.9
423.32730	10.6
424.33069	1.6
427.32092	3.2
437.30652	1.4
439.32266	13.5
440.32434	2.2
441.33734	57.3
442.34052	8.3
443.31479	11.4
444.32086	1.8
455.31647	3.9
458.33282	1.1
459.34760	2.6
469.33240	10.7
473.32803	6.0
485.32751	54.5
486.32962	7.9
487.34299	100.0
488.34641	13.7
501.35773	1.1
503.33768	36.5
504.34216	4.1
513.32550	0.9
517.35345	5.1
529.35413	5.6
545.34839	10.7
546.35046	2.1
575.35626	1.3
587.36121	1.7
589.37469	1.3
605.37146	1.2
647.37946	1.2
733.41962	2.7
775.44128	0.8
811.44189	1.0
853.45667	4.7
854.47272	1.2
880.04535	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.444
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	5.6
71.04885	1.0
73.02808	3.7
75.76912	0.6
83.01253	2.0
85.02814	1.1
89.02319	0.8
98.20593	1.4
101.02324	12.3
113.02313	2.2
119.03392	0.7
125.02341	0.7
131.03398	0.7
143.03403	0.9
147.91301	0.6
161.04448	1.2
202.69469	0.5
203.05553	4.2
263.07770	0.7
333.34409	0.7
439.32111	0.8
443.31512	1.5
485.32748	12.1
486.33087	2.1
503.33795	100.0
504.26758	0.9
504.34125	16.6
545.34833	11.4
546.35132	1.5
749.41925	1.2
822.86768	0.6
869.45673	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
64.15974	0.2
66.86693	0.2
68.17667	0.3
71.01259	7.0
72.99187	0.3
73.02818	4.5
75.00746	0.4
76.02415	0.2
81.03324	0.3
82.34367	0.2
83.01261	2.0
83.04880	0.3
85.02808	1.0
85.57895	0.3
87.00734	0.5
89.02306	1.0
95.01222	0.3
97.02816	0.3
99.00739	0.7
101.02322	14.9
102.02647	0.4
105.39882	0.3
109.02867	0.3
113.02335	2.8
119.03399	1.5
123.04452	0.3
125.02395	1.4
131.03372	1.0
133.02800	0.5
135.04405	0.8
137.02254	0.3
139.07542	0.4
143.03419	1.5
149.02176	0.3
149.04512	0.3
155.03380	0.7
161.02328	1.2
161.04456	3.0
162.66954	0.3
179.03423	0.8
203.05550	5.2
204.05875	0.3
221.06621	1.9
263.07727	1.5
288.12531	0.3
290.48041	0.3
291.79065	0.3
297.70486	0.3
305.08698	1.1
363.26898	0.3
375.26996	0.4
377.24133	0.3
377.28583	0.6
379.30035	1.5
387.26816	0.3
391.30164	1.5
393.31689	0.7
401.28339	0.7
403.29938	0.3
407.29605	0.5
409.31174	6.8
409.96478	0.3
410.31354	1.1
417.27893	0.7
419.29617	0.7
421.31161	2.9
422.31549	0.6
423.28995	0.5
425.30591	0.5
435.28995	0.5
437.30106	0.4
439.32019	0.7
441.33853	2.8
442.33704	0.6
453.30124	4.1
454.30374	0.4
457.33524	2.2
473.32794	2.1
474.32986	0.6
485.32684	3.0
486.32730	0.4
487.33838	0.3
501.32227	0.8
502.32538	1.0
503.33771	100.0
504.34128	15.2
513.32056	1.0
517.35144	0.8
525.31854	0.5
545.34827	14.9
546.35181	2.5
575.35822	1.0
587.35773	0.6
589.33838	0.8
589.58203	0.3
605.36951	1.7
647.38440	0.5
707.40271	0.5
749.41010	1.2
750.41418	0.4
791.42316	1.1
869.45685	1.0
870.46002	0.4
919.28217	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92158	0.6
69.39647	2.9
71.01253	6.4
73.02817	5.3
75.05712	0.5
76.45457	0.5
83.01249	2.7
85.02821	1.2
89.02311	1.1
91.73194	0.5
98.19810	1.2
99.00783	0.7
101.02325	15.1
101.03004	0.8
113.02319	2.9
119.03407	0.9
125.02351	1.6
127.66238	0.5
131.03383	1.2
139.36752	0.5
143.03366	1.4
155.03482	0.8
161.02446	0.8
161.04504	2.6
179.03349	0.6
179.05525	0.6
203.05534	4.8
221.06606	1.2
263.07840	1.6
377.28647	0.6
401.28400	1.2
407.29761	1.6
409.31061	2.1
410.31546	0.7
417.28140	1.1
419.29459	1.3
421.30878	2.6
439.32159	0.9
441.33704	7.3
442.34088	1.5
453.30057	1.4
457.33139	3.7
459.34137	0.6
473.32755	4.5
474.33286	0.7
485.32861	4.4
486.33005	1.2
502.17667	0.6
503.33804	100.0
504.34195	17.3
517.35437	0.9
545.34790	19.3
546.35236	4.5
600.13818	0.6
605.36029	1.0
749.40485	0.8
869.46637	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
64.22669	0.9
64.22995	0.9
64.86208	0.9
69.03313	5.3
71.01257	49.4
71.04908	1.1
72.01588	1.4
72.99168	4.5
73.02824	8.2
75.00749	7.6
81.03329	2.9
82.97588	0.9
83.01263	4.3
83.04907	5.8
85.02824	15.8
85.06436	0.9
87.00752	10.4
89.02317	35.1
93.03354	1.1
95.01260	4.2
95.04886	5.2
97.02837	8.4
98.19776	2.8
99.00751	3.7
101.02323	31.2
102.43066	0.9
105.31859	0.8
109.06491	1.3
111.00748	1.2
111.04377	1.4
111.08042	10.7
113.02338	16.6
113.59222	0.9
119.03385	9.5
121.02800	1.2
123.04400	1.5
123.07983	1.5
125.02344	13.0
125.09639	0.9
131.03384	2.1
137.09583	1.0
139.03889	1.1
139.11240	1.2
141.01869	1.6
141.09206	0.9
143.03409	6.5
149.04411	1.0
149.09613	1.3
159.02957	1.1
161.02345	1.1
161.04483	7.3
163.11259	1.2
165.12785	1.0
167.10721	6.0
171.10251	2.2
175.11215	1.4
177.12787	9.7
179.05539	11.0
179.10722	1.9
179.14368	4.5
183.13791	2.2
193.12337	1.3
194.71272	1.0
195.13835	26.3
195.15572	1.6
196.14211	2.3
197.11736	4.5
203.05566	1.1
203.10681	3.7
203.14278	1.2
205.12289	9.3
209.11774	2.8
211.13304	8.1
217.07161	1.7
221.06612	4.3
221.11790	40.4
222.12157	2.2
223.13356	80.6
224.13666	5.8
229.78802	1.0
235.08220	9.8
239.12863	91.9
240.13239	5.9
247.20619	1.4
253.09230	2.6
255.23082	1.0
263.07852	1.9
265.21735	1.2
273.18610	1.3
275.20062	5.6
277.21674	1.6
287.07751	3.1
291.19666	86.8
292.19986	5.6
293.21228	100.0
294.21555	7.0
305.08704	2.5
309.20642	5.8
323.10013	1.3
347.20016	0.9
379.12531	3.1
397.13498	57.1
398.13696	4.2
415.14606	24.7
416.14825	2.3
497.33063	1.2
583.63196	1.2
619.25696	5.4
621.27814	2.2
637.27203	9.6
638.27155	1.7
689.33325	1.5
700.37402	1.2
714.82214	1.2
913.47626	9.7
914.47791	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	913.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99694	0.6
69.03310	3.4
71.01255	22.5
71.04906	0.9
71.51525	0.5
72.99198	1.9
73.02821	3.3
75.00748	0.7
81.03313	1.8
83.01275	2.2
83.04876	1.8
85.02820	5.2
87.00754	4.6
89.02321	16.2
90.02689	0.5
93.03317	0.6
95.01263	2.1
95.04904	0.9
97.02827	5.7
97.06478	1.3
99.00755	2.0
99.04398	0.5
101.02328	16.3
107.04890	0.5
109.02873	0.7
109.06461	4.8
110.60922	0.3
111.00755	0.5
111.04419	0.7
111.08037	7.7
112.08397	0.4
113.02334	9.8
119.03391	5.2
121.02828	0.4
121.06477	0.8
123.04377	0.9
123.08004	0.6
125.02337	6.0
125.09625	1.8
127.07522	0.9
131.03384	0.8
133.02867	1.1
134.03604	0.5
135.04422	1.2
135.08022	0.8
137.02338	0.5
137.09619	1.2
139.03938	0.6
141.01779	0.8
142.02638	0.4
143.03383	3.2
149.04495	0.5
149.09641	1.1
151.11192	0.5
153.09161	0.5
153.12756	1.0
161.02347	0.9
161.04469	3.6
163.06010	0.7
163.11168	4.1
165.12744	1.5
167.10710	3.3
169.12279	2.6
171.10205	2.3
177.12801	0.6
179.03384	0.9
179.05553	5.9
179.10710	1.4
179.14349	2.5
180.03738	0.5
180.06021	0.4
181.12265	3.3
183.13841	1.4
185.11737	0.7
187.07620	0.4
191.14352	0.7
193.12285	1.0
193.15990	0.3
195.13840	8.9
195.15578	0.7
197.11768	33.1
198.12102	2.1
199.13264	1.7
201.05473	0.6
205.12283	6.7
206.12613	0.7
207.10220	10.6
208.10580	0.5
209.11765	3.8
211.13327	6.6
212.13823	0.7
221.06639	3.1
221.11816	0.9
223.13350	67.2
224.13678	4.5
225.11296	6.3
226.11705	0.4
227.12801	1.8
235.08212	5.2
245.06876	0.5
245.19162	0.8
247.20691	1.1
253.09302	1.0
263.07672	0.9
263.20227	2.8
265.18167	0.7
273.18555	1.2
275.09329	0.5
277.09601	0.4
287.07776	1.4
289.18155	3.2
291.19678	20.0
292.20026	1.8
293.21127	1.0
299.25912	0.8
305.08807	1.4
307.19135	2.7
308.19604	0.5
309.20718	100.0
310.21060	9.7
323.09869	1.1
331.19177	0.4
333.21057	0.6
361.11578	0.4
379.12604	2.6
397.13495	36.5
398.13992	2.4
415.14575	17.2
416.14758	0.7
417.22864	0.4
461.31012	0.7
485.32245	0.4
515.33850	1.3
522.88763	0.4
587.24548	0.4
603.26581	2.5
605.25482	0.8
605.34943	0.8
621.27631	7.5
621.37030	0.6
622.27856	1.0
623.25775	1.6
665.37915	1.0
689.33667	1.9
707.35272	3.4
708.36957	0.6
797.35547	0.5
815.37189	0.4
895.44165	1.3
896.44672	0.5
913.45245	6.1
914.45648	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	913.48
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99700	0.6
69.03304	5.0
71.01250	23.7
71.04900	0.9
72.01601	0.5
72.99190	1.5
73.02816	3.7
75.00760	0.6
79.45105	0.3
80.02557	0.3
81.03344	1.1
83.01256	2.8
83.04880	1.0
84.02058	0.4
85.02811	5.7
85.06456	0.7
87.00742	5.0
89.02315	18.9
90.02667	0.4
93.03315	1.0
95.01264	2.3
95.04902	0.8
97.02834	5.0
98.20559	1.0
99.00758	1.7
99.04422	0.4
101.02323	17.6
109.06464	1.0
111.04359	0.5
111.08039	9.2
113.02322	10.8
119.03394	4.2
119.08500	0.4
123.04347	0.5
123.08084	0.7
125.02342	6.5
125.09578	1.0
127.07558	0.7
131.03423	1.0
134.36282	0.4
137.09613	0.9
137.89972	0.3
138.51141	0.3
139.03844	0.5
141.01826	0.7
143.03389	2.9
149.04482	0.7
149.09589	0.9
151.11148	0.7
153.09145	0.7
153.12802	1.0
161.04478	4.1
163.11172	0.8
165.12752	1.7
167.10710	4.0
169.12241	3.7
170.12570	0.3
171.10191	2.0
177.12791	1.0
179.05536	5.8
179.10687	1.4
179.14325	4.1
181.12292	1.2
183.13849	0.8
185.04398	0.4
193.12282	0.5
193.16071	0.4
195.13823	13.0
197.11757	43.4
198.12067	2.8
199.06061	0.4
199.13297	2.1
205.12256	9.1
205.14088	0.7
206.12656	0.7
209.11777	1.1
211.13321	6.6
217.07190	0.4
221.06622	2.6
221.11887	0.5
223.13341	91.3
224.13661	5.7
225.14856	0.5
227.12802	2.4
229.28958	0.4
235.08182	5.8
239.12909	0.5
247.20641	1.5
253.09311	1.5
263.07718	0.6
263.20114	2.3
265.18167	1.4
273.18643	1.1
276.56287	0.4
287.07742	1.1
291.19653	23.6
292.19916	2.1
293.21402	0.5
305.08768	2.0
309.20700	100.0
310.21017	9.4
318.15842	0.4
323.09738	1.0
327.21866	0.6
333.20752	0.5
379.12344	3.4
397.13477	47.8
398.13889	4.0
415.14548	17.7
415.18915	0.4
416.15002	0.8
427.19739	0.5
494.62997	0.4
515.33429	1.2
516.34094	0.4
577.25238	0.6
595.25891	0.9
603.26508	4.8
604.26611	1.0
621.27612	12.1
622.28143	2.3
689.34161	2.2
690.35205	0.5
707.34882	3.2
708.35010	0.7
913.47565	2.0
914.47797	0.9
929.04535	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
64.71099	0.4
69.03289	3.3
69.94016	1.1
71.01254	21.9
71.04887	1.0
72.99184	1.7
73.02827	4.0
74.03233	0.5
75.00724	0.6
81.03355	0.9
81.33733	0.5
83.01283	1.7
83.04911	1.2
85.02827	5.3
87.00757	4.7
89.02317	16.3
93.03300	0.7
95.01256	2.1
95.04960	0.5
97.02823	2.6
98.20586	0.4
99.00775	1.5
99.16083	0.4
101.02325	15.1
109.06477	1.4
111.04382	0.5
111.08043	8.8
112.08362	0.6
113.02333	8.4
119.03381	3.4
124.73907	0.4
125.02334	5.9
127.02415	0.4
127.03864	0.5
127.07558	1.1
131.03394	0.8
135.11691	0.4
139.03905	0.9
141.01892	0.5
141.09146	0.8
143.03409	3.1
149.09618	0.8
151.11212	0.9
153.09155	0.8
153.12787	0.9
156.12944	0.4
161.04475	4.0
161.81369	0.4
163.11220	0.8
167.10686	4.3
168.05385	0.5
169.12277	4.9
177.12833	1.0
179.05519	5.4
179.10725	2.1
179.14336	3.7
181.12277	1.5
183.13785	0.7
195.13838	10.9
196.13986	0.4
197.11769	51.2
198.12096	2.7
199.13322	2.3
205.12276	7.5
206.12743	0.5
211.13347	7.4
221.06599	2.7
221.11748	2.2
223.13354	74.9
224.13689	5.4
227.12825	1.1
235.08163	4.7
239.12930	1.5
253.09280	0.9
263.07748	0.8
263.20093	3.3
265.18082	1.0
273.18524	0.5
287.07794	1.9
291.19662	15.0
292.20050	1.4
293.21323	2.9
305.08792	1.9
309.20712	100.0
310.21042	8.2
323.09766	1.7
361.81238	0.4
379.12366	2.5
397.13501	43.6
398.13739	3.6
415.14545	18.2
416.14746	1.2
515.33521	1.2
603.26599	3.5
621.27643	11.6
622.28094	2.0
628.22906	0.4
689.33911	2.5
707.34448	2.2
913.47833	1.7
914.48389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
65.28494	0.6
69.03329	3.8
69.16875	0.7
71.01257	19.6
71.04890	1.7
72.99172	1.5
73.02814	3.2
74.51217	0.6
77.67799	0.5
81.03349	1.1
83.01254	2.0
83.04900	2.4
85.02833	5.3
87.00749	10.1
88.00264	0.9
89.02325	12.2
95.01251	1.0
95.04900	1.1
97.02842	4.4
97.06467	1.1
99.00764	2.3
101.02329	11.3
109.06473	5.5
110.03698	0.7
111.04411	0.7
111.08040	2.7
113.02328	6.9
119.03391	2.8
125.02335	3.7
125.09615	2.1
132.27655	0.6
133.02859	3.4
133.04903	0.6
135.04439	6.9
135.08113	0.7
139.03903	0.6
141.01892	0.6
143.03355	1.7
145.69499	0.7
151.11200	1.3
153.12733	1.7
161.02374	7.4
161.04453	1.7
161.09636	1.9
163.11203	4.4
165.12697	0.8
169.12227	1.9
171.10196	1.0
179.03433	7.8
179.05553	2.9
179.10757	4.3
181.12302	1.4
183.13794	0.6
185.04436	0.6
185.11740	0.7
195.13861	2.9
197.11771	56.6
198.12080	2.7
207.10214	12.7
209.11786	19.4
210.12108	1.1
211.13383	2.2
221.06648	2.7
221.11716	0.7
223.09750	1.8
223.13425	3.2
225.11282	7.6
226.11604	0.9
227.12793	3.0
235.08199	2.2
241.10709	3.7
242.11078	0.9
245.19032	1.4
253.09242	1.1
263.20175	1.0
275.20230	0.9
289.18109	5.5
291.19702	3.3
293.21225	10.8
294.21475	1.1
305.08887	0.7
307.19107	5.1
309.20721	14.3
310.21121	2.0
379.12466	0.9
395.94370	0.7
397.13504	11.0
398.13815	0.9
407.15189	0.7
415.14578	5.1
416.15512	0.7
487.14343	0.7
487.34332	0.8
534.20508	0.8
605.24548	1.2
621.18286	2.0
622.18488	0.7
623.25818	0.7
639.25098	1.0
654.41968	0.6
672.31110	4.2
753.36523	1.0
897.45764	1.5
905.43494	0.7
915.46008	100.0
916.46362	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03325	4.0
69.42607	6.4
71.01252	38.8
71.04867	1.0
72.99173	3.0
73.02812	5.5
75.00751	1.3
75.68884	0.8
80.02538	2.8
81.03341	5.7
83.01249	6.6
83.04883	8.8
84.02042	1.7
85.02820	10.4
87.00740	9.2
89.02316	28.4
93.03308	1.5
95.01261	2.7
95.04917	1.5
96.95909	1.1
97.02828	19.9
97.06489	2.8
98.20533	1.9
99.00763	4.9
101.02323	26.1
107.03417	1.1
107.04912	2.5
109.06478	35.0
109.40842	0.9
110.03648	2.0
110.06843	1.4
111.00758	1.3
111.04431	1.4
111.08015	4.4
113.02330	15.9
113.04735	1.0
119.03386	7.9
121.06477	3.2
123.04395	2.9
123.08024	1.1
124.77458	1.0
125.02360	9.2
125.05924	1.1
125.09611	6.7
131.03447	2.0
135.04463	1.7
135.08058	7.4
136.05185	3.1
137.09601	3.2
139.03938	1.1
141.01865	2.5
142.02640	2.4
143.03384	4.1
147.11658	1.2
151.11287	1.1
161.02301	1.4
161.04431	5.5
161.09648	2.7
163.11211	28.0
165.12733	7.2
169.12231	3.0
171.10172	4.9
179.03410	1.1
179.03963	0.9
179.05537	8.4
179.10664	2.7
179.14388	1.5
181.12277	7.4
183.13853	1.6
185.11745	3.4
189.09076	2.1
191.10641	2.3
191.14359	4.1
193.12180	0.9
197.11772	16.0
197.82388	0.9
198.12077	0.9
207.10201	100.0
208.10544	6.9
209.11772	87.9
210.12070	5.5
211.13353	2.6
217.06915	0.8
221.06633	4.8
223.13342	1.7
225.11279	50.8
226.11758	2.4
227.12846	13.9
235.08247	8.6
237.11345	1.4
243.12404	1.6
245.19011	5.7
247.20634	4.2
253.09204	1.9
263.07687	2.1
263.20120	1.8
271.16956	1.0
273.18747	1.3
281.13910	1.1
287.07669	2.0
289.18130	28.0
290.18393	2.8
291.19675	30.0
292.19965	3.7
293.21198	2.8
299.14996	1.3
305.08716	2.9
306.08740	0.9
307.19147	27.2
308.19507	3.2
309.20703	71.9
310.21024	6.8
323.09888	3.0
377.60229	1.0
379.12500	5.2
397.13486	57.7
398.13882	6.0
415.14572	26.1
416.14783	1.8
416.60938	1.0
499.30319	1.2
605.24463	7.0
606.24622	1.7
607.26172	1.3
620.20874	1.1
623.25714	7.5
687.32684	1.2
689.34253	1.8
705.33417	1.2
707.34607	3.6
789.41687	1.1
799.37244	1.4
897.44177	4.7
915.45984	62.8
916.46277	18.8
935.28754	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	39.2
71.51469	4.3
72.99193	4.0
73.02815	8.7
80.96392	3.8
81.03340	5.3
83.01260	8.7
83.04931	5.2
83.89063	3.6
85.02825	13.7
87.00777	11.4
88.88840	4.3
89.02312	24.1
91.42667	3.6
92.51234	4.3
97.02813	7.4
97.06487	5.0
101.02338	26.3
109.02780	4.1
109.06487	8.2
111.08028	6.2
113.02364	9.4
119.03385	8.7
122.95058	4.5
125.02310	6.0
131.48515	3.7
133.02835	5.8
135.04436	7.4
143.03413	5.2
151.11258	3.6
161.02371	9.6
163.11247	9.6
165.12759	10.2
171.10199	25.3
179.03441	6.5
179.05536	4.5
181.12393	6.5
183.13847	5.4
195.13828	6.8
197.11804	26.0
207.10211	11.4
209.11784	100.0
210.12157	11.4
211.13332	10.3
223.13303	19.4
224.13716	7.8
225.11282	6.6
227.12892	23.7
229.14433	5.3
235.08186	8.6
248.95271	3.8
253.09242	18.7
263.20313	4.0
289.18088	11.1
291.19617	18.5
293.21240	9.0
307.19061	28.6
309.20712	63.8
310.21072	18.4
311.21481	5.0
327.21747	44.6
328.21970	4.7
397.13617	38.4
398.13754	10.6
415.14548	14.5
541.12970	4.8
607.26355	9.7
672.31311	6.2
705.32794	5.7
897.44928	6.7
915.48785	28.3
916.49323	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	916.5279
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	34.2
121.02794	34.7
135.04451	27.2
160.04024	23.6
165.01796	26.4
179.03543	37.8
200.06770	28.7
202.35103	25.4
225.11166	30.2
277.21634	33.3
293.21207	27.6
296.99677	26.8
397.13574	36.3
471.34604	100.0
473.96558	30.6
638.91986	24.3
918.74597	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
64.78529	0.3
65.66026	0.3
69.03332	1.7
69.33047	1.7
69.33452	0.8
71.01253	16.5
72.99184	1.8
73.02828	2.3
73.67911	0.3
75.00754	0.5
80.02556	1.4
80.85568	0.3
80.96378	0.4
81.03321	2.2
83.01257	1.4
83.04893	6.3
84.02043	0.9
85.02818	4.2
85.99979	0.3
86.03204	0.3
87.00751	3.8
89.02316	13.6
90.73085	0.3
91.32609	0.4
95.01287	1.7
95.04900	1.3
96.95886	0.8
97.02824	5.4
97.06457	0.5
99.00758	0.8
101.02324	12.3
109.02814	0.5
109.06477	1.5
111.00803	0.4
111.04380	0.9
111.08040	4.0
113.02326	7.2
119.03398	3.9
121.02835	0.4
123.08058	0.4
125.02339	5.6
125.05991	0.9
125.09631	1.0
127.07549	0.5
127.11162	0.7
131.03389	0.6
135.04460	0.5
135.08040	0.7
137.02278	0.4
137.09570	0.9
139.03917	0.6
141.01900	0.5
143.03392	2.5
147.11638	0.4
149.04521	0.6
151.11186	0.5
153.12781	0.5
161.04463	2.7
163.11198	6.2
164.11528	0.5
165.12758	4.8
167.10577	0.4
169.12251	1.9
171.10176	6.0
172.10498	0.4
177.12799	0.4
178.07880	0.3
179.03488	0.5
179.03732	0.5
179.05531	4.4
179.14349	0.3
181.12250	1.9
183.13821	0.4
185.11760	0.5
191.10663	1.0
193.12302	0.7
195.13869	0.5
197.11757	17.7
198.12111	1.2
199.13307	1.0
201.11264	1.3
207.10228	1.2
209.11768	100.0
210.12108	6.0
211.13303	3.3
221.06581	1.9
223.13475	0.7
225.11293	3.4
226.11771	0.6
227.12837	12.9
228.13113	0.6
235.08174	4.1
236.08432	0.5
243.12488	0.4
247.20598	1.6
253.09245	1.2
263.07730	0.6
263.20123	0.7
273.18619	1.3
287.07718	1.2
291.19653	22.9
292.19986	2.2
293.21216	6.9
294.21518	0.7
305.08795	1.9
309.20697	64.7
309.90591	0.4
310.21057	5.7
311.88995	0.4
323.09930	1.3
333.20636	0.7
376.90414	0.3
379.12354	4.2
397.13495	36.3
398.13766	2.4
415.09030	0.7
415.14590	15.4
416.14880	0.9
421.44870	0.3
501.31818	0.6
607.26117	1.5
689.33917	1.4
707.34985	1.6
713.03485	0.4
899.46985	0.4
917.46179	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	1.9
69.79449	5.2
71.01254	33.7
72.99179	2.1
73.02814	8.3
75.00734	1.2
76.15945	1.5
78.95747	1.3
80.96423	2.7
81.03347	3.3
83.01263	4.1
83.04914	3.4
85.02837	10.8
87.00759	6.3
89.02315	22.4
91.54324	1.4
94.97908	1.3
95.01284	2.5
95.04910	3.8
96.95900	1.5
97.02843	5.7
97.06469	1.5
98.20577	2.4
99.00739	3.6
99.01440	1.2
101.02322	18.3
101.02924	1.8
109.06496	7.6
110.03534	1.4
111.04431	1.7
111.08027	2.8
113.02332	14.5
116.92745	2.9
119.03397	4.3
125.02319	6.2
125.09612	3.4
127.11173	3.2
133.02846	2.3
135.04385	2.9
139.03835	1.3
139.07565	2.1
141.01855	1.4
143.03413	3.6
149.04324	1.6
149.09602	2.2
155.10703	2.2
160.94200	1.3
161.02353	5.8
161.04474	4.4
161.09683	2.1
163.11223	8.3
165.09099	1.3
167.03372	1.6
167.10674	1.4
171.10179	39.8
179.03473	2.9
179.05533	8.3
179.10690	1.4
181.12280	5.3
185.11713	1.5
189.09192	2.6
189.77585	1.2
195.13849	8.9
197.11792	3.7
199.09753	1.4
199.13345	1.7
201.11261	35.0
202.11656	1.8
207.10185	25.3
209.11768	26.8
210.12022	2.5
211.13318	1.5
213.11237	1.5
215.12863	3.7
221.06628	3.2
223.13307	7.0
225.11293	48.7
226.11580	2.7
227.12842	3.7
228.13475	1.6
235.08228	5.1
239.43729	1.2
243.12364	4.3
253.09335	2.0
256.13324	1.3
256.86884	1.3
275.20114	4.4
287.07892	1.8
291.19623	12.5
292.19974	1.3
293.21225	100.0
294.21548	8.7
305.08835	2.9
308.14426	1.2
309.20709	2.2
311.22208	3.5
379.12396	3.6
397.13480	48.3
398.13849	3.2
403.85208	1.3
408.16318	1.3
415.14664	14.9
416.15134	1.4
439.14575	2.2
487.34305	4.2
567.20392	1.3
569.24860	2.2
605.24500	5.3
623.25360	9.3
673.32654	2.3
899.45728	6.4
917.47357	10.4
918.46265	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	918.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97124	52.9
71.01262	100.0
85.02834	20.0
89.02314	31.5
95.04906	14.7
101.02321	24.2
109.85505	14.6
113.02319	19.4
133.02852	15.7
134.23100	13.1
135.04366	20.8
143.83452	13.9
158.24573	14.1
161.02330	22.7
163.11134	21.6
171.10233	79.4
179.03462	22.6
201.11238	46.7
202.11659	15.8
207.10208	37.8
208.10527	29.2
209.11702	46.0
210.11984	16.2
225.11270	58.6
226.11633	28.0
243.97585	15.7
293.21097	92.6
294.21579	67.3
368.31268	14.9
395.82605	16.0
397.13354	40.2
398.14005	31.6
588.97241	15.1
593.19623	15.7
703.43823	20.8
918.46161	32.7
919.47241	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	921.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
66.07947	0.9
69.03320	1.6
71.01253	15.8
71.04890	1.0
72.99163	0.9
73.02827	2.1
74.52432	0.8
81.03339	1.4
83.01262	2.8
83.04901	1.0
85.02832	4.6
87.00748	3.4
89.02323	8.3
95.01269	1.8
97.02833	9.7
97.06461	1.4
99.00759	17.2
101.02325	8.3
109.06480	4.6
110.03609	1.2
111.04405	1.4
113.02335	4.5
116.92751	2.2
119.03410	2.5
125.02345	5.2
125.09612	6.6
135.08046	2.0
136.05237	1.1
142.02588	2.8
143.03416	1.2
154.56358	0.8
161.04413	1.3
163.11229	7.3
179.05472	1.0
181.12279	15.6
187.87648	1.0
199.13345	1.4
207.10213	49.6
208.10602	2.9
209.11665	1.6
218.79117	0.9
221.06665	1.1
225.11287	59.1
226.11624	3.1
235.08215	2.0
243.12350	20.4
255.23277	61.6
256.23697	4.2
263.07709	1.2
321.45721	0.9
334.08047	0.8
379.12320	2.4
397.13498	12.2
415.14542	1.6
505.44638	0.9
538.15692	0.9
580.01080	0.9
605.24536	17.4
606.24713	2.2
623.25409	6.4
861.48505	100.0
862.48914	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	922.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99801	36.3
71.01266	21.9
87.00829	8.4
89.02334	23.0
98.19853	10.7
99.92456	9.8
101.02345	16.5
116.92738	100.0
195.14014	11.3
223.13348	44.5
224.02835	11.2
224.13652	38.6
255.23174	47.1
256.23651	35.9
257.23734	18.7
398.13837	22.0
399.14066	17.4
601.09491	12.3
712.21149	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	923.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	16.6
71.52149	7.2
73.02823	7.3
87.00760	4.8
88.47445	5.2
89.02322	14.3
95.35303	4.5
101.02343	8.3
104.79354	4.5
109.06454	5.9
113.02300	8.9
116.92735	44.2
117.01859	5.2
117.40463	4.8
117.92780	6.7
161.04495	6.0
163.11255	6.8
179.05560	5.9
207.10150	7.0
209.11781	100.0
210.12004	8.3
227.12767	16.7
255.23308	66.9
256.23636	7.7
288.27393	5.4
379.12482	13.1
397.13495	52.1
415.14734	5.1
466.29443	5.5
652.03516	6.7
727.67938	5.7
863.48907	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	924.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40073	36.4
69.40479	12.2
71.01263	26.2
83.04890	8.3
86.94677	6.6
87.00785	10.1
89.02311	10.3
97.02846	13.1
98.19813	13.8
99.00839	7.1
101.02327	17.0
116.92754	21.4
118.92551	7.6
207.10225	11.1
209.11784	100.0
210.12114	23.4
226.11694	6.9
234.93799	6.8
255.23300	61.0
256.23676	30.9
257.23941	8.1
379.12589	11.2
383.77625	7.5
397.13565	48.7
398.13806	20.8
415.14688	7.9
864.49261	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	40.5
71.18122	24.1
71.22041	24.6
72.98277	27.2
89.02312	28.8
116.92773	23.2
163.11307	23.6
175.31320	25.7
207.10252	100.0
208.10541	48.4
223.49556	23.9
225.11353	35.7
237.40565	23.5
255.23161	75.9
256.23709	44.6
376.75696	28.6
397.13437	64.4
398.13742	35.2
399.14029	42.9
427.28555	25.7
525.34955	28.0
614.50165	32.0
816.44476	29.5
864.48535	81.5
923.52972	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00188	0.6
68.99679	0.2
71.01254	2.8
71.46831	0.2
72.99165	0.4
73.02800	0.3
75.00742	0.7
83.01247	0.6
85.02827	3.1
87.00757	0.7
89.02304	0.7
95.01250	0.7
98.20664	0.3
99.00747	1.6
101.02349	0.4
103.00235	0.2
105.03365	0.3
107.01279	1.3
109.02843	0.7
109.46967	0.2
113.02339	2.1
114.02676	0.2
115.00300	0.4
117.01822	0.2
121.02854	0.5
121.61513	0.2
129.01837	0.2
132.02130	0.3
133.02849	5.0
135.04390	0.4
149.02332	1.3
149.04488	0.3
150.99144	0.3
151.00281	3.8
161.02356	0.4
169.06453	0.2
171.04463	0.4
175.02394	0.5
175.03935	1.7
177.01765	0.3
179.03404	0.2
183.34770	0.2
185.05945	0.4
189.05414	0.2
191.05365	0.2
197.06039	0.3
198.03084	0.3
199.03918	2.0
201.01862	0.5
211.03947	0.3
213.05544	0.6
215.03413	0.4
217.05023	1.1
218.05371	0.2
226.02699	0.2
239.03418	0.3
241.05048	0.7
243.03021	0.8
244.59836	0.2
255.02956	0.7
257.04459	0.5
267.02896	0.4
271.02524	1.5
283.02557	0.2
284.03357	0.3
285.04037	100.0
286.04401	7.3
297.03882	0.4
298.04642	0.3
299.05496	0.3
300.02780	1.9
301.03479	0.8
327.05017	1.4
339.05005	0.2
355.04636	0.3
357.06180	1.0
381.06012	0.4
399.07202	0.2
461.07245	56.8
462.07663	5.7
463.08875	2.0
463.21796	0.3
464.09256	0.5
489.18109	0.2
758.90350	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00188	0.6
68.99679	0.2
71.01254	2.8
71.46831	0.2
72.99165	0.4
73.02800	0.3
75.00742	0.7
83.01247	0.6
85.02827	3.1
87.00757	0.7
89.02304	0.7
95.01250	0.7
98.20664	0.3
99.00747	1.6
101.02349	0.4
103.00235	0.2
105.03365	0.3
107.01279	1.3
109.02843	0.7
109.46967	0.2
113.02339	2.1
114.02676	0.2
115.00300	0.4
117.01822	0.2
121.02854	0.5
121.61513	0.2
129.01837	0.2
132.02130	0.3
133.02849	5.0
135.04390	0.4
149.02332	1.3
149.04488	0.3
150.99144	0.3
151.00281	3.8
161.02356	0.4
169.06453	0.2
171.04463	0.4
175.02394	0.5
175.03935	1.7
177.01765	0.3
179.03404	0.2
183.34770	0.2
185.05945	0.4
189.05414	0.2
191.05365	0.2
197.06039	0.3
198.03084	0.3
199.03918	2.0
201.01862	0.5
211.03947	0.3
213.05544	0.6
215.03413	0.4
217.05023	1.1
218.05371	0.2
226.02699	0.2
239.03418	0.3
241.05048	0.7
243.03021	0.8
244.59836	0.2
255.02956	0.7
257.04459	0.5
267.02896	0.4
271.02524	1.5
283.02557	0.2
284.03357	0.3
285.04037	100.0
286.04401	7.3
297.03882	0.4
298.04642	0.3
299.05496	0.3
300.02780	1.9
301.03479	0.8
327.05017	1.4
339.05005	0.2
355.04636	0.3
357.06180	1.0
381.06012	0.4
399.07202	0.2
461.07245	56.8
462.07663	5.7
463.08875	2.0
463.21796	0.3
464.09256	0.5
489.18109	0.2
758.90350	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00197	0.4
68.99670	0.3
71.01253	9.0
72.98793	0.3
72.99161	1.2
73.02819	2.6
75.00742	2.5
83.01244	1.4
85.02824	14.9
86.03202	0.3
87.00748	1.7
89.02322	1.4
93.03278	0.3
95.01260	3.8
99.00108	0.3
99.00755	5.6
101.02324	4.6
103.00249	1.2
107.01281	1.8
111.00739	0.5
113.02332	20.0
114.02644	0.6
115.00249	0.9
117.01834	1.0
117.03342	3.6
123.85339	0.3
129.01808	0.9
135.04404	0.5
139.00258	0.3
143.03343	0.3
145.70409	0.2
146.37289	0.2
147.52708	0.2
149.02388	1.6
151.00294	1.7
159.03069	0.3
159.04391	1.2
161.02303	1.0
161.04448	1.1
162.73567	0.2
169.06516	0.4
175.02399	7.9
176.02727	0.4
180.05679	0.3
181.06512	0.5
183.04468	1.1
185.11632	0.3
196.05168	0.4
197.06033	0.7
197.17342	0.2
197.98929	0.2
201.05492	0.7
225.05560	1.7
227.03438	0.7
246.16838	0.3
248.85922	0.3
268.03796	0.5
269.04547	100.0
270.04892	6.8
280.36688	0.2
282.77863	0.3
285.03873	0.4
303.18094	1.1
347.17075	1.5
351.19684	0.3
445.07761	23.7
446.08353	2.1
465.04596	0.3
479.21332	39.8
480.21619	3.6
517.06866	0.3
590.84723	0.3
592.74182	0.3
886.03418	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33726	4.7
71.01262	5.5
71.04878	1.5
73.02805	3.7
78.04326	1.0
78.13578	0.8
83.04900	12.4
85.02818	3.3
87.00745	1.4
89.02296	2.5
91.09347	1.0
93.03345	1.5
96.95874	3.5
99.00745	1.6
101.02326	3.6
113.02335	4.1
122.77319	1.3
125.02340	1.1
133.02873	7.2
135.04416	8.6
137.02316	3.0
149.02277	1.1
150.02980	1.2
151.00253	1.2
152.00952	1.1
159.32458	1.0
161.02371	13.9
161.04424	1.2
162.02687	1.7
178.02547	1.1
179.03435	8.8
194.18016	1.0
387.25378	8.6
435.29086	3.0
452.29205	1.4
453.30045	2.9
471.31073	3.1
497.29150	18.9
498.29407	3.7
511.30313	1.0
515.30188	29.7
516.30536	3.7
547.18597	1.1
557.31354	3.7
623.19086	2.1
750.21667	1.2
761.37573	2.7
762.36627	1.3
855.95441	1.1
881.41742	100.0
882.42090	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	3.4
71.01253	65.4
71.52808	1.0
72.99171	1.3
73.02815	26.0
75.00733	0.9
78.75740	1.1
83.01256	12.9
83.04895	1.5
85.02821	24.1
87.00752	3.0
89.02320	13.5
93.03365	1.3
95.01263	4.4
96.95900	5.1
97.02811	1.6
99.00771	8.4
101.02321	43.0
107.04874	1.3
108.02055	1.5
111.00733	1.5
113.02335	26.3
114.02733	1.1
119.03365	4.7
123.04449	1.0
125.02309	3.2
131.03394	2.7
133.02832	7.1
135.04419	7.3
137.02316	3.7
139.03915	1.0
143.03435	5.3
145.02834	1.5
146.12086	1.0
149.04465	5.9
149.05576	1.0
149.47752	0.9
152.01175	1.2
155.03409	1.0
159.02895	2.2
161.02359	18.8
161.04436	25.8
167.03439	1.2
169.30823	1.0
178.43649	1.0
179.03403	5.7
179.05463	2.7
181.04967	1.0
193.04977	1.2
203.03706	1.7
203.05548	14.2
209.15363	1.5
221.06659	4.4
265.35254	1.2
285.04034	1.9
315.10880	1.5
335.20724	12.4
371.20700	12.1
387.81793	1.2
413.21808	23.6
414.22122	3.9
467.24945	100.0
468.25223	10.8
845.25537	1.6
925.32111	1.2
926.27924	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	926.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32606	77.3
73.96231	9.9
75.57156	11.4
79.53080	10.2
86.91367	10.4
109.80907	9.2
117.03333	12.1
141.32190	9.8
145.02873	74.0
209.11777	14.1
255.23358	9.9
563.39240	11.1
617.38525	100.0
618.38800	30.3
631.60095	10.3
915.80396	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	927.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	3.0
71.04895	3.3
73.02818	3.0
75.00755	0.7
83.01252	0.9
83.04901	0.7
85.02811	1.6
90.44070	0.5
101.02326	2.9
111.00702	0.6
113.02322	1.1
133.02850	0.8
145.02808	0.6
155.02907	0.5
161.02328	4.0
161.04477	0.8
175.03979	0.6
218.45958	0.6
248.45384	0.6
255.47260	0.6
291.49115	0.6
377.28485	1.0
388.27954	0.6
395.29492	0.8
419.29706	1.4
437.30698	6.1
438.30704	1.3
453.29681	1.2
455.31677	6.4
456.31836	1.6
457.29529	1.7
473.32565	2.7
473.66782	0.6
499.30627	17.1
500.31204	3.1
501.32388	1.4
517.31683	33.8
518.32074	5.5
559.32623	1.0
577.19275	3.3
683.16022	0.7
763.38806	0.8
841.42584	1.1
877.75732	0.7
883.43286	100.0
884.43622	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.423
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	3.1
71.04912	0.4
73.02818	3.2
75.00743	0.5
79.17088	0.4
83.01266	0.9
85.02822	1.2
87.00742	0.9
89.02306	0.5
96.74304	0.4
96.95900	3.1
98.20571	0.8
98.95464	0.9
99.00731	0.6
101.02336	2.2
111.00750	0.5
113.02319	1.3
131.03421	0.6
133.02837	0.7
135.04393	0.7
137.02324	0.6
143.53195	0.4
161.02362	1.2
161.04434	0.7
179.03355	0.9
185.05713	0.5
203.05443	0.5
343.24432	0.5
363.27228	0.5
379.30042	0.8
389.28485	0.5
391.30179	0.5
407.29428	0.7
409.30978	0.9
437.30566	5.3
438.30875	0.9
439.28125	0.5
454.30994	0.6
455.31650	23.2
456.31967	3.2
471.31259	3.1
472.31113	0.7
473.32611	0.7
494.62216	0.4
499.30801	4.0
500.31427	0.6
503.34219	0.4
513.32098	0.5
517.31689	30.8
518.32001	5.0
559.32837	2.1
661.35522	0.6
719.94000	0.4
763.39240	1.2
796.86279	0.5
841.42194	1.1
842.41821	0.4
883.43311	100.0
884.43677	27.6
895.65558	0.6
935.43158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21712	8.3
71.01244	3.7
73.02809	3.1
75.40449	0.9
80.29233	0.8
83.01287	0.9
83.64061	0.8
85.02820	2.3
86.04463	0.9
87.00766	1.4
89.02341	1.1
96.95898	5.0
99.00745	1.2
101.02348	1.9
106.58656	0.8
107.37888	0.8
113.02347	1.0
133.02739	0.8
135.04396	1.2
135.23615	1.0
161.02350	1.3
161.04492	1.0
172.28368	0.9
179.03314	1.2
186.91475	0.9
363.27145	1.3
407.29236	0.9
437.30530	5.4
438.30768	1.5
455.25757	1.8
455.31702	21.7
456.31778	3.1
471.31003	2.9
499.30585	4.7
517.31696	31.8
518.32214	4.6
559.32666	3.5
883.43292	100.0
884.43585	32.1
909.68195	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.4763
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	7.3
71.04901	0.7
71.52475	1.1
72.99190	1.1
73.02813	4.3
75.00732	0.9
81.46275	0.6
83.01264	2.6
84.25446	0.7
85.02838	3.1
87.00736	1.1
89.02320	2.7
96.60957	0.7
97.02806	0.7
101.02323	14.1
108.02068	0.8
111.00839	0.6
113.02331	5.3
119.03396	3.0
119.14783	0.7
125.02312	1.2
131.03400	1.2
133.02849	3.0
134.03683	0.6
135.04404	3.3
137.02371	1.1
143.03366	1.7
155.03493	0.7
161.02367	6.9
161.04472	3.5
162.26894	0.7
163.03876	0.9
164.10104	0.9
175.03931	0.7
179.03392	3.6
203.05566	5.3
214.84595	0.6
221.06561	1.9
263.07675	2.8
305.08896	1.0
345.15497	1.1
407.29361	1.2
419.29495	1.2
443.31558	2.0
457.33252	0.9
473.32681	1.2
474.33173	1.2
475.34222	0.9
477.10666	0.7
485.32758	8.5
486.32898	1.3
503.33798	100.0
504.34171	14.8
517.35504	0.7
519.33539	2.9
545.34717	8.4
546.35425	1.6
559.58020	0.9
561.34161	0.9
575.35980	0.7
605.37122	2.3
624.20795	0.8
707.40253	2.6
749.41266	2.1
791.42261	1.3
809.43311	2.4
827.44507	2.7
869.45300	5.5
870.45972	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
70.60456	46.8
71.01250	49.7
74.07324	14.3
84.80590	13.5
85.02847	14.7
85.45336	12.6
89.02316	34.1
96.95879	35.4
101.02326	30.7
113.02325	48.4
116.92736	18.9
119.04945	27.0
121.02800	20.8
123.04420	12.7
133.02811	54.7
135.04391	58.1
137.02321	43.4
145.02849	34.9
149.02304	17.9
149.05879	16.3
151.03813	16.1
161.02315	100.0
177.01860	18.1
179.03409	58.7
186.88918	12.3
209.11694	40.6
269.04504	29.2
278.03513	16.0
410.69519	15.1
704.65466	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	931.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03304	3.8
69.27356	1.2
69.27785	1.6
71.01254	15.1
71.04899	0.6
72.01611	0.4
72.99168	1.0
73.02815	2.3
75.00759	0.3
77.07893	0.3
81.03326	0.7
83.01251	1.9
83.04910	0.9
85.02819	8.4
85.03293	0.7
87.00753	2.4
89.02318	11.2
93.50668	0.3
95.01275	1.0
95.04906	0.9
96.95876	0.6
97.02826	3.0
97.06467	2.4
99.00761	0.7
101.02319	9.5
104.86481	0.3
109.02856	0.5
109.06475	0.6
111.04384	0.3
113.02331	5.9
118.88145	0.3
119.03387	2.7
119.08565	0.4
123.04408	0.5
123.08013	0.4
125.02351	3.3
125.09610	1.3
127.11165	1.4
127.97137	0.3
131.03398	0.5
133.02864	2.1
134.03548	0.4
135.04414	3.1
136.04732	0.7
137.09618	1.5
139.03873	0.6
141.09146	0.4
143.03432	2.0
149.09560	0.4
151.03883	0.4
155.10680	0.9
155.14342	0.5
161.02354	3.1
161.04477	2.2
162.02745	0.6
165.12724	0.5
167.10707	1.5
171.10179	17.5
172.10519	0.6
175.11084	0.3
177.12747	1.2
179.03423	4.0
179.05519	2.5
179.10698	1.1
179.14339	1.7
179.91655	0.3
180.03799	0.7
181.12326	0.4
183.13823	2.2
185.11777	0.9
193.12308	0.6
195.13838	5.4
197.11786	1.7
201.11244	1.2
205.12277	4.4
209.11833	2.1
211.13338	13.0
221.06659	1.5
221.11699	2.3
223.13344	30.6
224.13696	2.2
225.11308	0.8
227.03325	0.4
227.12828	0.5
229.14395	9.9
235.08191	3.5
239.12889	1.5
247.20610	0.6
249.04584	0.4
253.09166	0.8
263.07724	0.6
287.07758	1.0
289.18057	0.4
291.19699	3.9
305.08868	0.9
309.20691	9.6
310.20923	0.7
315.46936	0.4
323.10068	0.7
327.21756	100.0
328.22092	8.7
351.21585	0.5
379.12509	0.6
397.13483	33.5
398.13779	2.1
407.14841	0.5
415.14569	13.9
416.14966	1.0
489.15079	0.4
503.33844	1.3
504.34390	0.6
533.34857	2.1
534.35779	0.6
603.26495	0.9
621.27667	10.6
622.27460	2.0
680.30334	0.8
707.34943	5.5
708.35107	0.9
725.35840	3.6
726.36188	1.0
931.48492	3.9
932.47681	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01813	0.7
68.63364	0.9
69.03322	3.3
71.01253	26.6
71.04913	1.5
72.99186	3.1
73.02821	4.7
79.95616	1.1
80.02531	1.3
80.17307	0.7
80.96397	3.3
81.03325	3.2
83.01258	2.0
83.04894	5.1
84.02041	1.3
85.02821	14.0
85.68965	0.8
87.00729	4.3
89.02323	12.9
93.03339	1.3
95.01284	2.8
95.04910	2.1
96.95881	2.1
97.02826	10.8
97.06469	2.8
97.76798	0.7
99.00755	2.3
99.92454	2.6
101.02325	15.3
109.06482	25.3
110.03610	1.3
111.00793	1.1
113.02328	11.1
116.91909	1.2
116.92755	23.3
117.92786	2.1
119.03401	3.6
121.06488	1.9
121.86736	0.8
123.00803	1.0
123.04388	1.4
125.02367	4.5
125.09600	2.5
127.11205	1.8
133.02866	2.8
135.04388	3.3
135.08046	3.1
136.05234	1.5
137.09622	2.7
141.01907	0.8
142.02592	1.7
143.03352	2.0
155.10609	0.9
161.02350	6.6
161.04471	3.6
161.09647	1.3
163.03879	1.3
163.11205	15.5
165.12755	2.1
167.10681	0.8
167.14316	1.1
169.12262	0.9
171.10184	27.2
172.10603	1.0
177.12758	1.6
179.03445	3.8
179.05469	4.6
181.12262	4.2
183.13843	3.5
185.11800	1.7
193.12241	1.6
197.10089	1.2
197.11765	7.2
199.13438	1.3
201.11227	3.5
207.10201	57.7
208.10619	3.6
209.11786	34.2
210.12117	1.7
211.13347	18.9
221.06575	2.0
221.11758	2.4
225.11287	32.5
226.11667	1.7
227.12848	4.9
229.14401	11.3
235.08156	4.0
237.14912	1.8
239.12822	2.4
243.12309	1.3
253.09267	1.5
275.64517	1.0
287.07706	1.4
289.18115	2.3
291.19565	5.5
299.15085	1.2
305.08777	1.0
307.19232	1.2
309.20700	8.8
323.09952	1.1
325.20212	24.2
326.20465	2.4
327.21771	100.0
328.22049	7.7
397.13528	33.6
398.13806	1.6
405.57559	0.8
415.14590	20.9
416.14822	1.9
515.15521	0.9
517.31787	2.3
534.11414	0.9
605.24683	3.6
623.25684	6.9
630.26477	1.0
702.03467	1.1
705.34204	1.2
707.34637	5.2
725.36572	4.7
870.13947	0.9
915.45667	4.9
916.46033	1.3
933.46930	44.3
934.47083	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	933.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01248	16.9
72.99171	3.1
73.02827	2.6
73.18090	1.8
75.00719	1.9
79.95614	2.0
80.96385	2.9
81.03322	2.4
83.04896	6.1
87.00740	3.5
89.02337	11.7
93.03374	2.0
96.95884	1.9
97.02814	2.9
101.02309	11.7
111.07995	2.3
113.02311	6.7
119.03374	4.3
125.02348	2.3
135.04422	2.8
161.02354	4.4
161.04471	5.3
163.11177	3.8
171.10143	3.4
179.03346	4.7
179.05521	2.7
195.13841	8.0
197.11717	2.2
207.10132	3.5
209.11769	87.3
210.12019	5.2
211.13287	3.0
219.17838	1.9
223.13316	5.5
227.12843	13.1
235.08194	5.3
275.20163	3.7
287.07767	2.7
291.19666	3.6
293.21222	100.0
294.21432	7.0
309.20667	2.7
327.21570	2.9
341.23172	2.6
379.12540	4.5
397.13510	30.7
398.14041	3.4
415.14548	17.1
430.45691	2.0
485.32690	2.1
487.34625	3.1
607.26367	3.2
933.46967	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	935.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01263	6.7
71.51601	0.9
72.99195	1.4
74.72670	0.7
75.00772	1.1
77.53966	0.8
79.87012	0.7
82.01856	0.6
83.01262	1.1
85.02818	8.6
86.61308	0.7
87.00794	1.4
89.02341	2.0
95.01259	3.3
99.00790	1.7
101.02327	1.8
107.01262	1.0
109.02855	1.7
113.02344	8.8
115.00261	0.8
117.01835	1.1
131.06421	0.7
133.02826	1.7
135.04446	4.5
137.02364	1.2
145.02792	0.8
146.07103	0.8
149.05981	1.8
150.03142	0.7
151.00296	2.1
152.01114	0.8
153.02919	0.8
154.51978	0.6
159.04448	0.8
161.02385	2.6
161.05992	0.9
163.03870	0.8
175.02429	1.1
177.05507	2.2
179.03409	2.6
183.04483	1.5
189.05490	3.1
207.06642	1.7
221.04384	1.2
227.03552	1.7
249.32072	0.8
255.02980	100.0
256.03696	24.3
257.04172	1.0
269.04373	0.9
283.02475	71.9
284.03232	67.3
284.06537	0.9
285.03787	7.5
297.03989	2.5
298.04523	1.1
311.07819	1.3
433.09137	1.7
485.01175	0.8
487.19431	1.0
539.56830	0.8
674.44568	0.8
683.84100	0.8
759.21393	46.8
760.22015	8.7
935.05670	1.4
935.24377	26.0
936.24646	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	935.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
68.82761	2.2
70.84548	2.8
70.84855	4.0
71.01252	16.5
73.02797	2.2
78.95787	3.5
85.02821	4.7
87.00780	4.2
89.02322	13.3
96.95879	3.5
97.02843	4.4
101.02323	9.8
109.06476	16.4
113.02328	6.5
116.92706	2.8
125.02333	3.8
151.37178	2.6
163.11198	13.3
171.10277	2.7
172.49976	3.4
179.05460	3.8
181.12231	4.9
195.13794	4.3
207.08344	4.7
207.10220	59.6
209.11795	12.6
223.13370	4.4
225.11296	33.7
235.08260	3.6
244.98779	2.1
245.11450	4.4
275.94608	3.4
291.19376	3.1
293.21231	100.0
294.21558	5.2
295.22818	10.1
379.12430	3.7
397.13513	53.6
398.14136	3.5
405.99445	2.5
415.14758	23.4
587.23688	4.4
605.24585	17.4
622.21051	2.6
623.25488	14.7
691.35437	3.0
738.52612	2.7
824.20850	2.8
881.45801	6.0
882.46814	5.0
899.46460	86.0
900.46893	22.3
935.44336	48.8
936.44464	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	935.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03334	2.3
71.01254	13.6
71.04859	0.8
71.39009	0.4
72.99180	1.2
73.02824	2.4
75.68719	0.5
78.16834	0.5
80.02540	0.9
80.96399	1.1
81.03340	1.6
83.01254	1.7
83.04884	4.4
84.02040	1.2
85.02823	8.8
87.00740	2.6
88.98679	1.1
89.02325	10.2
93.03339	0.5
95.01258	1.4
95.04906	1.3
95.79851	0.5
96.95894	1.1
97.02847	2.9
97.06478	3.0
99.00767	0.7
101.02333	9.1
109.02828	0.7
113.02354	5.3
116.92748	0.8
119.03391	3.1
121.02859	0.6
123.04361	0.7
125.02345	3.3
125.09586	1.3
127.11146	1.1
131.03426	0.6
133.02812	1.3
135.04378	1.6
137.02344	1.3
137.09599	2.5
143.03391	1.1
145.02805	0.8
150.02989	0.5
155.10783	0.7
161.02351	2.2
161.04474	1.7
163.11238	3.8
165.12773	2.1
171.10179	24.2
172.10544	0.7
179.03427	1.5
179.05585	3.5
183.13867	1.8
184.13228	0.7
185.11792	0.8
191.10634	1.2
193.12213	0.7
201.11145	1.2
205.04961	0.6
209.11769	61.6
210.12083	2.4
211.13327	9.3
221.06671	1.6
221.11740	2.0
227.12840	7.2
229.14412	7.3
230.14638	0.6
235.08189	3.2
239.12866	1.1
253.09180	0.9
263.07706	0.7
284.03189	0.8
287.07690	1.1
291.19650	3.5
299.05389	0.6
305.08899	1.5
309.20685	8.2
323.09860	0.7
325.20383	0.6
326.65549	0.5
327.21762	100.0
328.22083	6.5
377.02252	0.5
379.12628	0.7
397.13486	32.4
398.13849	1.6
415.14612	14.4
416.15125	0.6
487.72632	0.5
519.33203	1.3
537.34253	0.6
607.26178	2.5
608.26550	0.7
707.35077	3.8
725.35815	3.6
725.72961	0.5
726.36066	1.1
935.47302	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	937.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
65.87839	1.4
69.22352	1.2
70.05283	2.7
70.05674	3.8
71.01261	10.0
73.25169	1.4
76.87548	1.2
81.03345	2.1
83.01273	2.0
83.04910	2.7
87.00774	1.5
89.02319	8.9
98.19817	2.0
101.02324	8.3
113.02360	4.5
119.03419	2.6
125.02322	4.9
129.29903	1.4
143.03404	2.5
153.14876	1.4
161.04501	3.1
163.11206	2.4
165.12804	2.4
171.15164	1.5
179.05574	4.0
195.13893	3.9
209.11778	75.8
210.12297	3.3
221.06467	2.5
223.13390	2.9
227.12848	19.0
235.08218	4.6
256.13208	1.5
275.20108	3.2
293.21246	100.0
294.21509	7.1
305.08929	4.0
323.09622	1.7
379.12421	4.8
397.13522	61.8
398.13824	3.6
415.14450	15.8
487.34113	2.3
589.25165	4.8
592.01740	2.0
607.26001	14.3
673.33844	3.6
691.34839	3.4
872.38391	2.2
883.46790	4.2
937.45721	43.1
938.46619	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	937.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	6.8
80.91574	3.7
87.00761	3.0
88.89664	2.6
89.02335	8.6
96.95882	3.2
98.19754	5.8
101.02314	5.5
113.02415	2.6
116.43583	2.1
125.02365	2.8
158.96187	2.4
166.51459	2.4
179.05585	5.1
192.25464	2.6
195.13968	3.9
209.11780	63.1
227.12869	21.6
228.13165	2.8
229.18970	2.6
235.02312	2.3
235.08252	5.0
293.21222	100.0
294.21509	6.3
310.61929	2.5
379.12778	5.3
397.13452	40.7
398.13855	3.4
415.14438	17.0
487.34125	4.8
607.26056	5.4
619.61243	2.7
654.26538	2.5
673.34259	5.3
691.35577	7.8
724.13715	2.7
883.46246	4.2
937.45618	35.0
938.46222	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	939.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00195	1.3
68.81627	0.4
71.01246	3.7
71.13850	0.3
72.25354	0.3
72.99187	0.5
73.02793	0.4
75.00723	0.8
78.33967	0.4
83.01249	1.2
85.02817	4.8
87.00748	1.0
87.58898	0.3
89.02300	0.7
93.03335	0.5
95.01263	1.3
99.00774	1.6
103.00172	0.4
107.01271	2.7
109.02832	1.7
111.00762	0.7
113.02341	2.6
121.02832	1.2
123.00745	0.7
125.02329	1.1
129.01801	0.5
129.78038	0.3
133.02835	7.0
134.03156	0.4
135.04417	3.2
136.98698	0.9
137.02348	1.6
139.00233	1.2
143.04781	0.4
147.00769	0.4
149.02342	5.2
151.00273	8.7
152.00702	0.5
159.04414	0.5
163.00281	0.3
164.98207	1.0
165.01877	1.7
166.99750	1.2
169.01392	0.3
171.04443	0.8
173.05899	0.4
175.02452	0.8
175.03847	2.5
178.99744	1.0
180.63670	0.4
183.04443	0.8
185.06006	0.8
187.03886	0.6
189.05592	0.5
191.03394	1.0
192.00510	1.0
199.03906	1.9
201.01886	0.9
201.05530	1.2
203.03403	0.6
211.03922	1.2
212.04813	0.5
213.05457	0.8
214.02486	0.4
215.03481	1.7
217.04999	1.2
227.03484	1.4
229.04967	1.5
233.04494	0.8
239.03381	0.7
240.04137	0.5
241.04962	0.8
242.02090	0.5
243.02991	0.7
255.03004	4.2
256.03497	0.7
257.04605	2.2
259.02545	0.4
271.02560	0.5
273.04016	0.4
274.98544	0.3
283.02374	3.0
284.03140	0.7
285.04028	77.4
286.04370	8.1
287.04517	0.7
297.04010	0.7
299.01883	0.4
300.02731	1.7
301.03516	100.0
302.03818	7.0
327.05170	0.5
343.04538	1.4
357.06494	0.4
369.06009	0.4
373.05582	1.0
461.07239	37.0
462.07553	4.0
463.07681	0.9
476.05820	0.7
477.06714	48.8
478.07059	5.2
641.19745	0.4
661.35742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
66.36979	0.3
67.03298	0.3
70.62280	0.3
71.01231	0.3
78.95776	8.5
88.98672	0.5
107.70459	0.3
110.98418	5.5
152.99484	0.6
161.02324	0.3
167.01050	3.7
176.71678	0.3
185.02129	4.0
255.23265	0.3
275.20123	0.6
277.21716	100.0
278.22076	7.5
405.72391	0.4
445.23596	55.7
446.23914	5.3
693.29663	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.294
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01248	3.2
71.52899	0.8
75.00737	1.2
78.01959	0.5
78.41370	0.5
85.02822	3.0
87.00742	1.2
91.56720	0.7
95.01233	0.8
99.00802	1.4
107.01290	1.3
109.02836	0.8
113.02355	2.7
133.02824	6.1
135.04413	0.6
136.04730	0.6
141.95512	0.6
149.02356	2.7
151.00285	4.9
175.02527	0.7
175.03912	2.4
181.76785	0.6
196.17136	0.6
199.03946	2.0
212.52368	0.5
217.04967	1.3
241.05040	1.0
255.03018	1.2
257.04544	0.8
283.02420	0.8
284.03299	0.8
285.04034	100.0
286.04385	11.8
287.04636	1.8
297.03949	0.8
301.03589	9.3
302.03885	5.6
303.04163	2.9
327.05054	1.3
357.05695	1.0
412.09158	0.6
461.07245	52.2
462.07651	8.1
463.07999	2.5
472.74594	0.7
477.06644	3.8
478.07126	3.8
479.07175	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	941.294
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01248	3.2
71.52899	0.8
75.00737	1.2
78.01959	0.5
78.41370	0.5
85.02822	3.0
87.00742	1.2
91.56720	0.7
95.01233	0.8
99.00802	1.4
107.01290	1.3
109.02836	0.8
113.02355	2.7
133.02824	6.1
135.04413	0.6
136.04730	0.6
141.95512	0.6
149.02356	2.7
151.00285	4.9
175.02527	0.7
175.03912	2.4
181.76785	0.6
196.17136	0.6
199.03946	2.0
212.52368	0.5
217.04967	1.3
241.05040	1.0
255.03018	1.2
257.04544	0.8
283.02420	0.8
284.03299	0.8
285.04034	100.0
286.04385	11.8
287.04636	1.8
297.03949	0.8
301.03589	9.3
302.03885	5.6
303.04163	2.9
327.05054	1.3
357.05695	1.0
412.09158	0.6
461.07245	52.2
462.07651	8.1
463.07999	2.5
472.74594	0.7
477.06644	3.8
478.07126	3.8
479.07175	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	941.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
65.52338	0.3
67.01761	0.4
68.99696	0.7
69.32085	2.7
71.01256	8.4
72.99184	1.9
73.02818	0.6
75.00747	4.1
83.01255	1.1
84.02052	0.5
85.02821	19.8
86.03136	0.5
87.00750	2.1
87.32245	0.3
87.39182	0.3
89.02304	0.8
95.01266	6.3
98.06455	0.3
99.00169	0.5
99.00759	6.4
101.02305	0.8
103.00231	2.8
107.01234	0.4
111.00749	0.4
113.02330	34.6
114.02673	0.7
115.00255	1.2
117.01805	1.5
129.01823	1.5
133.02853	0.6
134.03612	0.7
135.04402	1.0
137.02365	0.6
139.00253	0.6
139.03918	0.4
140.05859	0.3
151.00278	0.8
157.01341	1.2
160.01575	0.3
161.02365	1.0
165.28505	0.3
169.01340	0.4
175.02391	16.1
176.02760	0.4
179.03436	0.9
199.97581	0.3
227.03374	0.4
255.02934	0.5
256.03763	3.4
257.04044	0.4
269.04651	0.4
284.03265	70.4
285.03653	5.8
286.04535	0.4
298.04623	0.4
299.05609	100.0
300.05948	8.2
341.06750	0.8
352.84262	0.3
354.94614	0.4
475.08817	90.3
476.09103	10.5
477.09613	0.4
886.85468	0.4
941.30261	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03341	0.4
71.01254	21.6
72.99190	2.1
73.02819	11.2
73.47685	0.4
83.01251	1.8
85.02820	10.6
85.57093	0.5
87.00757	1.1
89.02317	13.4
95.01276	2.3
97.02871	0.4
99.00757	47.1
100.01099	1.0
101.02320	9.9
101.03001	0.5
107.01231	0.7
109.02826	0.8
111.00787	0.5
113.02325	16.7
114.02666	0.7
119.03383	1.4
121.02826	0.6
121.27106	0.4
123.04421	0.6
125.02363	0.7
129.01855	0.5
131.03392	3.3
133.02861	0.8
135.04465	0.6
137.02347	0.6
143.03363	0.6
148.01505	0.5
149.04453	5.1
151.00250	2.9
159.02887	0.8
161.02333	1.3
161.04472	3.8
163.00346	1.0
178.99699	1.6
179.03452	0.6
179.05566	0.7
181.12129	0.5
183.10275	0.6
191.05539	7.7
199.03990	0.5
217.35701	0.5
221.04832	0.5
226.02469	0.5
227.03447	0.8
243.02975	1.9
255.02946	5.4
261.38931	0.4
271.02451	13.4
272.02994	1.4
273.03842	0.5
283.02521	0.5
285.03989	3.4
286.04413	0.7
287.04654	0.7
297.00055	0.6
299.01974	1.0
300.02740	27.6
301.03470	14.9
301.16672	0.8
302.04062	1.2
345.15414	1.4
433.20657	1.1
446.23544	0.5
461.07248	1.5
463.08807	29.9
464.09198	3.7
477.19745	100.0
478.07626	0.8
478.20111	13.3
668.27368	0.5
886.58752	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
67.49573	0.6
69.03293	3.7
69.22947	1.1
69.23286	5.5
71.01250	22.9
71.04887	0.9
72.99166	2.2
73.02814	3.8
81.03336	1.5
83.01245	2.6
85.02821	5.0
87.00735	4.5
89.02312	15.1
93.03362	0.8
95.01267	1.2
95.04882	0.8
97.02834	3.7
99.00749	1.5
101.02322	16.5
102.02685	0.7
109.06500	1.3
111.00736	0.7
111.04363	0.8
113.02315	8.4
116.92753	1.4
119.03405	3.3
121.02802	0.6
125.02332	6.9
132.16176	0.8
135.09186	0.6
143.03389	2.5
149.09590	1.2
161.04469	4.0
167.10698	3.1
177.12778	1.0
179.03891	0.8
179.05513	5.6
179.10736	1.7
179.14314	2.3
195.13844	9.5
205.12260	9.5
220.07837	0.7
221.06635	1.6
223.13341	100.0
224.13705	4.7
235.08194	7.2
236.45921	0.6
241.76549	0.6
253.09305	0.6
259.08148	0.9
277.21707	69.5
278.22064	4.5
287.07718	1.4
305.08798	2.1
323.09747	2.1
379.12442	11.0
397.13470	54.7
398.13678	3.1
415.14487	10.3
447.30215	0.7
455.39273	0.7
603.26501	12.5
604.27039	0.8
621.27612	13.6
622.27917	1.4
657.35059	1.9
675.35577	4.4
881.48810	5.1
919.61304	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.6866
Annotation	Unknow
Peak:m/z	Relative Intensity
66.72063	0.2
71.52179	0.2
72.65530	0.2
78.95779	0.2
88.98667	0.4
96.95918	0.3
100.58998	0.2
101.14307	0.2
101.14989	0.2
130.87128	0.2
277.21515	0.2
281.60339	0.2
393.38120	0.2
423.32648	3.0
424.33084	1.0
425.33289	0.2
427.35818	0.2
443.35956	0.2
469.33224	10.3
470.33713	2.2
471.34772	100.0
472.35150	13.7
472.42172	0.2
473.35446	0.7
639.65594	0.2
854.02502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.6866
Annotation	Unknow
Peak:m/z	Relative Intensity
66.72063	0.2
71.52179	0.2
72.65530	0.2
78.95779	0.2
88.98667	0.4
96.95918	0.3
100.58998	0.2
101.14307	0.2
101.14989	0.2
130.87128	0.2
277.21515	0.2
281.60339	0.2
393.38120	0.2
423.32648	3.0
424.33084	1.0
425.33289	0.2
427.35818	0.2
443.35956	0.2
469.33224	10.3
470.33713	2.2
471.34772	100.0
472.35150	13.7
472.42172	0.2
473.35446	0.7
639.65594	0.2
854.02502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.396
Annotation	Unknow
Peak:m/z	Relative Intensity
66.60335	0.5
71.01255	4.1
71.50794	0.7
83.01273	0.6
85.02821	5.3
87.00754	0.5
89.02319	1.0
95.01276	2.0
95.04913	0.5
97.02879	0.5
101.02299	0.8
105.03339	0.7
107.04938	0.6
109.02852	1.2
113.02322	8.1
117.03402	0.8
121.02838	2.5
132.02048	1.4
132.25191	0.5
133.02846	19.6
134.03688	4.9
134.06163	0.5
135.04414	70.2
136.04741	2.5
137.02344	2.3
149.02338	5.9
150.03120	1.6
160.01602	0.5
161.02348	47.0
162.02655	1.3
172.05177	0.8
173.05943	0.7
174.03127	1.0
177.05374	1.0
178.02628	3.2
179.03415	100.0
180.03790	3.4
187.03944	1.2
187.07614	3.8
189.05511	0.7
193.04994	2.6
200.04774	0.9
201.05501	1.4
202.06299	2.0
203.03442	1.6
203.07111	0.6
213.09088	0.9
215.07066	6.2
216.07397	0.7
221.08115	0.9
227.03415	0.6
229.08578	0.8
230.09479	1.9
231.06596	1.2
231.10257	2.1
247.89500	0.5
251.05478	1.4
257.08200	1.7
275.09259	2.1
291.19659	1.1
300.87686	0.5
307.11853	1.4
307.22644	0.5
308.54861	0.5
323.07742	1.0
325.09158	1.0
487.14548	16.7
487.21368	1.0
488.14682	1.4
489.15710	0.7
503.33896	1.5
583.19757	0.8
651.19409	9.4
652.20007	26.5
653.20593	3.7
756.19629	0.6
781.36646	7.1
782.36853	1.2
814.69458	0.5
943.38977	4.0
944.40033	1.5
948.85059	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.703
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92880	0.1
71.09461	0.1
72.62295	0.1
72.99174	0.1
77.52811	0.1
88.98681	2.1
100.40521	0.1
142.04398	0.1
150.17941	0.1
150.33333	0.1
152.77139	0.1
177.58452	0.1
235.21799	0.1
346.35495	0.1
393.31656	0.3
423.32855	0.4
471.34778	100.0
472.35144	14.7
686.78082	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	944.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49561	51.3
71.01257	38.4
85.02840	9.2
89.02322	30.5
101.02325	26.2
113.02281	13.1
118.09525	7.1
196.14381	13.2
223.13367	100.0
224.13640	52.7
225.14035	20.9
235.08163	10.7
258.37906	8.0
277.21768	41.7
278.22055	32.1
279.22464	24.1
326.30756	8.4
397.13547	32.5
398.13770	29.7
399.14044	17.1
420.55707	8.6
432.96912	8.1
546.02600	8.7
623.28552	10.6
884.48303	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	945.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	9.9
72.99174	0.8
73.02815	6.0
83.01252	2.3
85.02824	5.6
85.99970	0.5
87.00751	0.8
89.02325	2.0
93.14496	0.3
95.01247	0.8
97.02808	0.7
99.00759	3.8
101.02322	12.0
102.02580	0.3
102.46140	0.3
111.00748	0.8
113.02315	4.8
115.53760	0.3
125.02306	0.3
129.01828	0.4
159.02890	1.1
161.02348	0.3
161.04471	2.7
184.48450	0.2
185.11745	0.5
190.88872	0.3
269.04434	1.7
303.18130	3.2
329.16174	0.3
347.17084	4.6
435.22400	0.5
445.07657	0.6
479.21320	100.0
480.21625	10.7
499.21774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03278	3.0
69.26283	4.7
71.01253	12.6
71.04884	0.9
72.99175	1.3
73.02800	1.6
75.00739	0.8
81.03342	0.6
83.01277	1.2
83.04910	0.7
84.02045	2.8
85.02802	3.2
87.00751	2.6
87.54271	0.5
88.98701	1.3
89.02313	10.0
95.01261	1.2
95.04910	1.1
97.02826	2.9
97.06474	4.4
99.00778	0.9
99.04388	1.0
101.02332	9.5
113.02335	5.5
116.91679	0.6
119.03373	2.8
119.08524	0.7
121.02840	0.6
125.02336	4.3
125.09610	1.0
133.02817	1.0
135.04381	1.7
136.85529	0.6
137.09584	0.6
141.01888	0.6
143.03410	1.2
149.09662	0.8
161.02333	1.4
161.04446	2.3
167.10664	2.3
171.10190	13.0
172.10626	0.5
174.02974	0.5
175.11136	0.6
179.03421	1.8
179.05609	3.3
179.10724	1.1
179.14323	2.3
183.13800	0.6
193.12265	6.6
195.13850	5.9
196.14189	0.6
197.11742	0.6
197.15311	0.6
205.12273	5.2
207.10291	0.5
209.11765	1.6
211.13354	3.4
221.06564	1.9
221.11714	1.3
223.13354	43.0
224.13747	3.2
225.14902	9.7
226.15218	0.6
235.08047	2.5
239.12860	0.8
243.15965	5.4
253.09116	0.8
253.14384	1.3
287.07669	1.0
291.19659	2.0
293.21097	0.9
305.08792	1.3
309.20892	1.2
323.09741	1.5
323.22171	1.5
341.23309	100.0
342.23651	9.2
377.23224	0.5
379.12561	1.2
397.13483	30.1
398.13638	2.5
415.14545	11.9
485.32791	1.2
487.34137	1.8
547.36469	2.7
603.26361	2.5
621.27637	12.2
622.28223	2.1
721.36572	2.8
739.37769	3.2
945.50134	2.4
946.50391	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03291	3.0
70.03706	0.5
71.01252	13.4
71.52524	0.5
72.99165	1.2
73.02822	3.0
75.00759	0.7
78.95808	0.6
81.03316	0.5
83.01259	1.3
83.04889	1.3
83.85437	0.5
84.02036	4.3
85.02830	3.8
87.00765	3.1
88.98682	11.3
89.02317	10.6
93.03329	0.6
95.01305	1.1
95.04874	0.7
97.02829	2.7
97.06471	4.7
99.00784	1.1
99.04381	1.2
99.92467	2.6
101.02330	9.7
106.69958	0.5
109.02837	0.8
111.08069	1.0
113.02344	5.5
116.92744	25.0
117.01813	1.8
117.92757	1.4
119.03394	2.7
119.08469	0.5
125.02345	3.0
125.09601	1.3
133.02826	2.1
135.04405	3.8
136.04761	0.6
143.03372	1.7
161.02373	4.1
161.04439	2.6
162.02612	0.8
167.10728	2.6
171.10179	16.5
177.12665	1.0
179.03394	3.9
179.05473	2.8
179.10672	0.9
179.14342	1.3
180.03815	0.8
193.12288	5.8
195.13861	6.1
197.11743	0.6
205.12294	4.8
209.11786	1.1
211.13371	3.6
221.06563	1.4
221.11769	0.6
223.13347	41.9
224.13699	2.1
225.14928	9.4
235.08101	2.9
237.14929	1.9
239.12741	0.7
243.15883	3.3
249.86765	0.5
253.09190	0.7
253.14450	1.0
286.37012	0.5
287.07703	1.0
291.19708	1.8
293.21228	0.7
305.08698	1.1
309.20657	1.6
323.09921	1.3
323.22369	1.6
328.66187	0.6
341.23309	100.0
342.23602	7.6
365.23294	0.6
379.12372	0.9
397.13504	29.2
398.13852	1.8
415.14554	12.9
509.25992	0.6
547.36633	2.7
603.26538	2.0
621.27710	9.7
622.28003	1.2
653.20599	0.7
718.90240	0.5
721.36395	3.1
722.36346	1.1
739.37238	2.6
859.76587	0.6
945.50977	2.8
946.50293	0.9
949.21082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01266	44.1
73.11489	13.6
89.02305	27.0
94.65537	15.4
97.02835	21.0
98.19835	35.6
101.02333	16.6
109.06482	32.2
110.06733	15.9
129.69171	13.4
130.59708	14.3
163.11125	30.4
207.10158	78.9
208.10555	45.3
209.11909	24.9
225.11227	31.5
226.11636	22.3
277.21674	74.2
278.22122	19.5
279.22180	13.6
353.80576	16.1
375.28110	15.9
385.89371	23.5
397.13385	29.6
398.13382	15.2
399.14178	25.5
415.14529	17.3
453.76782	15.0
632.83295	18.0
717.03723	15.6
789.90082	17.9
885.47705	39.6
886.47345	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01249	30.6
71.51531	11.8
71.51881	10.5
71.55071	10.6
76.05236	9.9
78.88451	10.0
78.95828	11.8
83.62234	10.5
85.02820	14.8
89.02291	13.9
101.02319	17.0
109.06487	20.3
158.87204	10.1
173.32260	10.1
207.10223	51.1
208.10664	24.2
209.11780	13.9
225.11299	19.1
226.11574	18.9
271.05270	11.2
277.21698	47.5
278.22079	21.0
282.10077	11.3
301.79404	11.3
397.13675	28.6
398.13992	18.5
417.15097	11.1
451.31976	25.1
453.33691	100.0
454.33820	17.5
485.36505	58.2
486.36642	15.4
712.02618	11.7
885.47321	18.2
886.47394	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01764	0.3
68.99687	0.3
69.29716	0.2
69.30122	0.9
71.01256	5.1
72.99182	1.1
73.02813	0.5
75.00743	2.5
77.91087	0.1
83.01253	0.4
84.02038	0.4
85.02824	12.0
86.03146	0.2
87.00758	1.8
89.00245	0.1
89.02330	1.1
93.03329	0.4
95.00643	0.2
95.01260	3.7
98.20662	0.1
99.00758	4.4
101.02332	0.4
103.00260	1.5
105.03330	0.2
107.01274	1.3
111.00787	0.3
113.02329	23.2
114.02673	0.4
115.00253	0.8
117.01851	1.5
117.03340	3.4
119.04949	0.2
129.01840	1.1
135.04411	0.2
139.00284	0.2
139.68575	0.2
149.02341	1.8
151.00276	1.5
151.78574	0.1
157.01299	0.4
157.06519	0.2
159.04413	1.3
161.02336	1.0
169.06519	0.2
175.02397	12.4
176.02739	0.3
179.03412	0.2
180.05852	0.2
181.06535	0.5
182.03696	0.2
183.04454	0.6
195.04521	0.2
196.05240	0.5
197.06055	0.7
201.05508	0.5
213.05457	0.2
224.04716	0.3
225.03848	0.2
225.05585	1.7
227.03474	0.5
268.03842	0.2
269.04538	100.0
270.04877	7.1
308.05673	0.1
341.06522	0.1
353.06506	0.1
445.07748	31.6
446.08145	3.1
465.23804	0.2
481.22900	0.2
631.01941	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	948.481
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	30.8
72.99202	5.8
78.95780	4.9
85.02790	6.1
87.00749	6.5
89.02316	17.7
96.95874	5.1
98.20555	14.3
98.53426	3.7
101.02332	29.9
108.03716	4.1
113.02334	11.1
113.09617	7.1
119.03358	7.2
125.02295	4.7
131.03415	4.1
142.74814	4.0
152.99477	8.6
161.04463	6.0
164.26341	4.2
189.36841	4.2
209.11703	9.9
235.08179	7.0
255.23283	54.0
256.23590	15.7
277.21756	7.7
278.22147	5.7
293.21198	50.7
294.21600	21.7
305.08844	5.6
397.13513	100.0
398.13794	38.2
415.14310	28.4
416.14783	11.2
471.34708	17.8
472.34921	8.3
475.37082	4.7
481.25607	8.0
653.37604	7.5
654.37726	5.5
899.28497	4.9
952.92273	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	948.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
67.31973	14.5
78.95812	16.9
81.74174	12.5
95.65305	14.1
134.08250	14.5
155.05095	12.9
208.54251	17.0
209.11826	45.1
235.08078	13.4
248.44543	14.7
277.21600	15.9
363.36401	17.3
471.34619	100.0
472.35129	60.5
473.35422	31.2
474.35992	16.1
829.85883	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	949.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16447	0.3
71.01253	0.2
72.99194	0.1
83.01270	0.6
85.02797	0.1
93.03335	0.1
96.95901	0.1
99.00745	0.1
105.03336	0.2
107.01281	1.7
107.22452	0.1
113.02356	0.1
116.99453	0.1
119.04950	0.1
121.02825	0.3
123.09209	0.1
124.29906	0.1
132.02100	0.3
133.02843	10.2
134.03172	0.5
135.04378	0.2
137.02324	0.3
145.02847	0.3
149.02348	1.7
151.00270	4.4
151.03894	0.1
161.02380	0.4
163.03900	0.2
164.18748	0.1
169.06535	0.1
171.04463	0.2
173.05891	0.1
175.03926	2.5
177.01942	0.1
179.03455	0.2
179.05247	0.1
185.05969	0.2
189.05414	0.1
197.06046	0.4
198.03177	0.2
199.03943	2.0
201.01874	0.6
211.03925	0.1
213.05473	0.3
215.03400	0.3
217.05009	1.5
223.04030	0.2
226.02672	0.2
239.03339	0.1
240.04344	0.2
241.05049	0.8
242.02180	0.1
243.02968	0.7
257.04504	0.3
267.02905	0.3
283.02603	0.2
284.03326	0.5
285.04031	100.0
286.04385	6.9
290.99640	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01754	0.5
68.99676	0.8
69.63145	0.6
71.00851	0.3
71.01250	9.6
72.99174	2.1
73.02819	0.8
75.00746	4.6
83.01243	0.8
84.02034	0.4
85.02821	20.0
86.03160	0.4
87.00746	3.0
88.01143	0.1
89.02309	1.7
95.01262	5.6
96.01579	0.2
99.00755	8.2
100.01085	0.1
101.02348	0.3
103.00246	2.9
107.01274	0.8
111.00754	0.4
113.02328	33.7
114.02661	0.7
115.00259	1.9
117.01826	2.2
119.04906	0.2
125.02341	0.2
129.01854	1.3
132.02043	0.2
133.01295	0.4
133.02858	0.3
134.03654	0.6
138.85216	0.1
139.00256	0.4
148.01537	0.2
149.99506	0.2
151.00269	1.3
157.01344	0.8
169.01289	0.2
174.03195	0.1
175.02393	15.8
176.02705	0.4
183.04465	0.2
187.03963	0.2
188.04700	0.2
199.03999	0.2
200.04750	0.2
211.03926	0.5
212.04774	0.3
216.04333	0.2
227.03383	1.1
228.04193	0.2
239.03485	0.2
240.04092	0.2
254.55063	0.1
255.02887	0.8
256.03738	5.2
257.04123	0.3
269.04672	0.2
283.02484	0.5
283.05545	0.1
284.03247	91.3
285.03595	7.3
297.04028	0.4
298.04779	0.5
299.05588	100.0
300.05936	8.1
300.09509	0.2
327.05215	0.1
341.06644	0.6
371.07794	0.3
475.08792	63.4
476.09143	8.2
533.09735	0.1
552.07666	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
66.32692	0.5
69.03317	1.0
71.01254	17.0
72.99172	1.9
73.02827	2.7
73.57094	0.5
76.81909	0.4
81.03339	0.9
81.79436	0.4
82.28543	0.5
83.01249	1.7
85.02818	4.7
87.00751	4.3
89.01761	0.7
89.02318	13.1
94.56056	0.6
95.01264	1.3
97.02811	2.8
99.00758	1.1
101.01710	1.0
101.02322	11.3
111.04422	0.7
111.08059	0.5
113.02334	7.1
119.03391	4.5
125.02338	6.1
125.31195	0.5
143.03389	2.3
155.58966	0.5
161.04468	3.0
165.97755	0.5
179.05536	4.4
179.14339	0.9
183.13817	1.0
195.13861	7.5
196.01453	0.5
205.12219	0.6
209.11964	0.6
211.13339	1.0
221.06580	1.8
223.13347	4.0
224.13733	0.5
225.14912	0.5
228.13516	1.2
235.08157	4.8
235.17018	1.6
253.09190	0.6
256.13223	0.8
275.20157	7.8
276.20425	0.7
277.21735	41.0
278.22104	3.5
287.07718	1.8
293.21225	100.0
294.21542	6.8
305.08749	2.0
352.55441	0.5
362.74646	0.5
379.12582	3.2
397.13507	29.6
398.13837	1.7
415.14581	9.8
416.14819	0.7
613.17511	0.6
629.60718	0.7
673.35223	0.8
691.35138	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	1.0
71.01255	17.1
71.08395	1.5
72.99172	1.6
73.02821	2.9
75.00732	0.7
81.03283	0.6
83.01250	1.8
85.02824	3.9
87.00755	4.2
89.02321	14.4
95.01266	1.2
97.02821	2.1
99.00772	1.7
101.01701	1.2
101.02322	13.1
106.42075	0.6
111.00769	0.9
113.02312	7.3
119.03387	3.4
125.02338	6.2
131.03351	0.8
143.03386	1.9
156.41478	0.7
161.04456	3.0
171.10173	1.1
179.05537	3.3
179.14384	0.9
195.13847	6.2
211.13338	0.9
221.06551	1.3
222.06856	0.6
223.13406	4.5
235.08214	4.6
253.09241	0.9
256.13245	1.2
265.21646	0.7
275.20096	7.1
277.21725	47.2
278.22168	3.2
279.05341	0.6
287.07724	1.4
293.21225	100.0
294.21533	7.4
305.08755	2.0
323.09808	0.9
368.60202	0.6
379.12317	3.6
397.13501	42.3
398.13708	2.2
415.14584	11.8
546.70648	0.7
647.30341	0.6
675.36047	1.4
691.19128	0.7
720.51025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34976	7.0
71.00887	1.5
71.01255	12.9
71.65862	0.9
72.99188	2.2
73.02827	1.1
75.00745	3.8
76.66373	1.0
78.95765	1.0
83.01250	2.1
85.02818	23.1
87.00751	3.1
89.02329	3.3
93.03307	1.6
95.01260	8.4
96.95880	1.1
99.00764	10.5
101.02317	1.7
103.00243	4.0
107.01266	1.0
108.02039	2.1
111.00814	1.4
113.02332	37.2
115.00248	1.3
117.01834	3.5
123.04417	1.7
129.01817	1.8
133.02855	3.6
135.04402	3.5
137.02350	3.5
137.49721	0.9
150.56110	0.9
150.76407	1.0
151.00270	1.2
152.01027	1.4
161.02354	8.1
167.03506	1.2
175.02397	17.6
175.03860	1.4
179.03409	4.3
211.13260	1.2
256.03711	3.7
284.03247	84.9
285.03687	12.5
286.04080	2.8
299.05594	100.0
300.05933	10.6
301.06296	1.8
314.04361	1.6
475.08798	74.4
476.09091	9.5
477.09662	4.3
623.20044	2.2
653.17944	1.1
653.70593	1.0
953.36060	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	29.9
71.42537	2.9
72.99194	3.9
73.02812	5.9
81.03310	3.1
83.04886	2.8
85.02824	7.7
87.00764	6.3
88.98682	3.6
89.02321	24.0
95.01248	2.3
97.02837	9.4
99.00742	3.6
99.92458	4.5
101.02323	20.2
109.06480	34.5
113.02361	12.3
116.92741	37.1
117.92715	3.4
119.03394	7.8
121.06469	2.7
125.02328	7.2
131.75157	2.1
135.08031	4.3
139.08553	2.1
142.02618	2.8
147.75870	2.2
161.04433	4.3
162.98904	2.4
163.11201	23.1
179.05542	4.4
181.12317	2.5
194.84651	2.1
207.10199	100.0
208.10564	8.1
209.11800	3.1
221.95389	2.5
225.11287	35.1
235.08217	7.8
255.23262	94.1
256.23660	6.9
277.21677	5.0
283.97147	2.3
305.08896	3.0
379.12399	9.9
397.13507	62.2
398.13782	2.9
415.14539	14.4
432.43826	2.2
605.24292	7.1
624.26544	2.6
653.37805	9.5
843.47668	4.5
861.48474	79.6
862.48737	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	955.141
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19726	0.7
71.01254	4.8
71.52187	0.7
72.99184	1.3
73.02827	0.8
75.00727	1.0
83.01255	2.2
85.02831	6.4
87.00758	1.8
89.08743	0.7
91.01780	0.8
94.25990	0.6
95.01257	2.9
99.00758	2.7
105.03371	1.1
107.01288	6.0
109.02827	6.0
111.00755	4.6
113.02327	5.4
121.02831	1.3
123.00745	1.5
124.01518	1.0
125.02346	6.6
133.02849	10.6
135.00792	2.1
135.04398	2.8
136.98700	0.9
137.02359	4.4
139.00267	9.1
149.02351	5.4
150.99138	1.2
151.00282	17.6
151.03842	1.3
152.00949	0.7
153.01831	5.3
159.04445	1.5
161.02306	1.4
163.00291	12.1
164.00804	1.1
164.98218	1.7
165.01869	4.3
166.99728	1.6
167.04909	0.7
169.01372	1.1
171.04318	1.5
171.21701	0.7
173.05920	1.2
175.02408	2.1
175.03914	4.0
177.01898	3.7
178.99825	5.5
179.03328	0.8
181.01372	11.0
183.04399	1.4
185.06020	1.6
187.03960	1.2
189.05511	1.2
190.99782	4.6
191.03462	1.5
192.00645	0.9
193.01382	3.5
199.03969	4.2
199.05527	0.7
201.01880	2.5
201.05522	1.7
203.03491	3.7
205.05020	0.8
206.99306	3.7
208.00090	1.3
211.03960	1.4
213.05635	1.0
215.03468	2.1
215.91270	0.7
217.05040	2.6
219.02954	0.8
226.54613	0.8
227.03479	3.1
229.01154	1.0
229.04964	2.8
230.02071	1.2
231.02956	4.0
239.03438	1.0
241.05042	0.8
242.02267	0.9
243.02994	9.6
245.04506	5.2
253.04428	0.7
255.02977	9.3
257.04520	1.0
258.01724	0.9
259.02441	1.0
271.02490	11.6
272.02887	1.1
273.04050	7.5
283.02502	7.1
284.03268	2.7
285.04037	100.0
286.04440	7.4
289.03534	3.2
297.03918	1.4
299.01993	18.2
299.05356	1.7
300.02551	4.6
301.03537	59.9
302.03839	4.6
316.01987	1.1
317.02997	76.2
318.03387	4.9
327.04926	1.1
357.05075	1.6
359.04120	1.6
363.83679	0.8
373.05841	0.9
459.05557	2.0
461.07266	52.0
462.07553	5.1
463.07855	1.0
475.05209	5.6
476.05872	1.4
477.06757	35.2
478.06808	3.1
492.04840	0.9
493.06235	63.3
494.06482	6.9
495.07776	1.0
523.74188	0.7
695.41644	0.8
811.02887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01757	0.1
69.60050	0.2
69.60485	0.3
71.01256	2.3
72.99164	0.4
73.02819	0.1
75.00742	0.6
83.01256	0.5
85.02819	2.6
86.15877	0.1
87.00762	0.6
89.02299	0.3
95.01262	0.9
98.19823	0.1
99.00748	1.1
101.02306	0.1
103.00237	0.3
105.03331	0.2
107.01267	1.0
109.02828	0.5
111.00776	0.2
113.02327	2.1
115.00231	0.4
117.01797	0.3
121.02868	0.4
125.02338	0.2
129.01794	0.3
131.04956	0.1
133.02831	4.4
134.03154	0.2
137.02347	0.1
139.00235	0.1
145.02783	0.1
149.02336	1.3
149.05969	0.1
151.00273	2.9
151.03928	0.2
153.01917	0.1
159.04489	0.1
161.02353	0.1
165.01820	0.2
171.04427	0.3
175.02400	0.3
175.03899	1.7
176.04199	0.1
177.01791	0.2
178.99767	0.1
185.05981	0.3
187.03928	0.1
189.05441	0.2
193.01434	0.1
197.05992	0.2
198.02991	0.2
199.03915	1.8
201.01868	0.5
209.00781	0.2
210.53876	0.1
211.03955	0.2
212.04504	0.1
213.05530	0.5
215.03470	0.2
217.04977	1.1
223.04015	0.2
229.05083	0.2
239.03459	0.2
240.04283	0.2
241.04973	0.6
242.02058	0.1
243.02971	0.7
255.02945	0.1
257.04520	0.4
267.02917	0.2
268.03699	0.1
284.03351	0.6
285.04028	100.0
286.04373	6.3
287.04544	0.2
297.03992	0.4
299.05475	0.2
301.03491	0.8
302.03745	0.2
317.03009	0.3
318.03369	0.1
319.04333	0.2
327.04996	1.2
328.05142	0.1
355.04608	0.2
357.06033	0.9
369.06125	0.2
381.06079	0.4
399.07562	0.2
461.07239	55.7
462.07626	4.8
462.12662	0.1
477.06592	0.2
479.08447	0.1
493.06451	0.1
494.06683	0.1
495.07297	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.5229
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23384	100.0
75.00739	28.0
90.60994	11.1
95.22997	11.3
123.33787	11.9
182.77069	15.9
209.85417	10.4
267.86783	13.8
284.25937	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	958.522
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31669	87.0
73.61508	62.5
118.80675	66.7
255.23363	82.0
371.86502	68.6
467.90088	74.0
572.68414	77.4
869.18573	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
68.07588	2.6
69.03292	3.1
69.13821	2.5
70.25011	6.1
71.01247	20.2
72.99171	4.1
73.02839	3.0
75.00739	2.6
78.89921	2.2
85.02838	5.7
87.00771	4.4
89.02310	23.6
97.02827	10.5
97.06464	3.7
98.19860	2.9
99.00761	3.7
101.02314	15.1
107.91586	2.3
109.06483	20.8
113.02341	10.6
119.03361	4.0
123.04351	4.3
125.02390	6.4
126.81181	2.7
135.08066	3.3
142.02568	4.0
143.03406	3.5
161.04460	3.0
163.11186	15.4
171.10226	3.2
179.05592	3.0
181.12325	3.3
195.13852	9.8
202.85304	2.4
207.10214	70.3
209.11720	6.2
223.13342	8.6
225.11299	27.1
235.08261	7.8
253.22859	3.1
275.20236	7.3
277.21729	4.4
293.21219	100.0
294.21622	5.8
397.13513	41.2
398.13922	3.3
415.14508	23.5
605.24792	4.7
691.36511	2.8
881.44995	4.1
899.46375	57.7
900.46765	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	959.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03277	1.5
71.01250	8.5
74.54251	1.7
78.95778	3.9
81.03309	2.5
85.02844	4.5
87.00732	3.4
88.28766	1.4
89.02320	8.0
89.83162	1.8
97.02821	1.9
98.19853	4.4
101.02312	7.9
113.02342	5.5
113.09599	2.6
119.03354	3.1
135.04353	2.4
138.19267	1.5
152.99481	2.9
161.02351	5.8
167.10657	2.0
174.39433	1.5
179.03456	3.8
179.05504	2.8
181.12332	1.9
195.13867	19.3
205.12238	5.7
221.06654	2.4
223.13353	38.6
224.13628	2.3
233.68460	1.7
235.08057	3.4
277.21771	16.4
278.22260	2.7
295.22778	100.0
296.23135	6.0
379.12070	1.9
397.13513	23.9
415.14337	7.7
423.32782	15.2
424.33035	5.8
425.33725	2.5
441.33710	2.0
445.23587	2.0
453.33774	15.6
454.34082	12.8
469.33185	34.1
470.33511	11.3
471.34378	5.2
487.34668	9.2
488.34738	5.2
603.26678	3.7
621.27753	6.1
675.36432	3.7
693.37097	5.3
863.12488	1.6
899.49878	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	959.6981
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29716	0.8
70.60365	0.1
71.04901	0.2
78.95797	0.1
83.04871	0.1
85.15488	0.1
88.98664	0.2
98.19766	0.2
99.00708	0.1
116.92746	1.0
133.02881	0.1
152.99356	0.1
161.02325	0.1
171.10162	0.1
179.03374	0.1
191.26410	0.1
223.09792	0.1
258.80780	0.1
265.14822	0.2
308.31821	0.1
407.33237	0.1
411.32669	0.3
420.33517	0.1
427.35721	0.2
453.33777	1.3
454.34003	0.2
469.33246	0.4
470.33569	0.4
471.34790	100.0
472.35135	12.2
487.34766	0.1
513.41803	0.1
959.70294	0.3
963.61371	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	960.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	27.4
89.02322	26.1
91.61354	21.1
98.20617	28.0
101.02320	23.6
121.02823	16.4
126.94740	18.6
151.91582	17.1
223.13286	51.6
224.13724	49.7
239.10959	19.1
293.21237	100.0
294.21527	79.7
295.21802	42.0
397.13663	47.0
398.14041	28.5
501.95709	21.7
586.00024	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	962.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
70.27636	100.0
71.01258	55.1
89.02346	43.8
101.02322	46.8
174.82942	34.0
176.52339	37.8
207.10167	78.3
225.11313	45.8
236.13377	34.2
249.92303	38.3
285.20816	45.8
293.21341	74.0
294.21579	41.0
487.33908	52.3
746.36749	35.3
757.77832	44.9
757.90790	41.2
901.46252	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5216
Annotation	Unknow
Peak:m/z	Relative Intensity
70.53214	0.4
70.53568	0.6
78.95776	26.6
88.07875	0.2
91.79013	0.3
96.96831	2.0
98.20514	0.2
138.11649	0.2
150.97963	0.6
152.99495	39.3
153.99826	0.4
171.00560	10.4
186.12131	0.2
227.03238	3.0
245.04292	53.1
246.04599	1.8
253.21710	27.1
254.22130	1.6
465.06680	0.3
481.25729	100.0
482.26065	11.2
926.34784	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5897
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03312	2.3
69.43475	0.8
69.43903	1.0
71.01254	17.8
72.01585	0.3
72.99190	1.8
73.02814	3.1
79.50822	0.3
81.03323	0.7
83.01260	2.3
83.04890	0.5
83.82957	0.2
84.02042	0.2
85.02822	10.6
85.99963	0.3
87.00754	3.8
89.02316	12.6
90.02680	0.2
95.01272	1.2
95.04911	0.8
97.02834	3.7
97.06466	1.9
99.00752	1.1
99.04402	0.4
101.02325	12.8
103.14513	0.2
109.02819	0.3
111.00745	0.3
111.04368	0.6
113.02336	6.6
115.03879	0.3
117.52052	0.2
117.80964	0.3
119.03382	4.0
119.08495	0.3
121.02792	0.3
125.02339	4.5
125.09601	1.0
125.32092	0.3
127.03882	0.4
127.11191	1.2
131.03389	0.6
133.04951	0.3
137.09637	2.0
139.03876	0.5
141.01775	0.4
141.68161	0.2
143.03410	2.1
145.04977	0.3
149.04518	0.3
155.10660	0.9
157.04965	0.3
161.04474	2.9
165.12796	0.5
167.03342	0.3
167.14368	0.5
171.10184	19.5
172.10512	0.8
177.09079	0.3
177.12749	0.6
179.05557	3.0
181.12329	0.3
183.13846	2.2
185.11798	0.7
193.12289	0.6
197.11797	0.5
201.11217	0.7
209.11784	1.4
211.13341	10.1
212.13690	0.7
217.07141	0.3
221.06628	0.9
221.11766	2.1
224.83568	0.2
227.12863	0.4
229.14406	7.6
230.14651	0.3
235.08223	4.7
236.08470	0.3
239.12871	1.3
247.20630	0.3
249.06789	0.2
253.09235	0.4
255.23274	35.5
256.23663	2.5
269.24802	0.5
273.24878	0.2
287.07700	1.0
291.19687	3.1
305.08752	1.6
309.20712	7.1
310.21109	0.8
323.09833	0.8
327.21765	100.0
328.22079	7.2
351.21481	0.5
369.22958	0.4
379.12405	1.0
397.13498	55.0
398.13831	2.8
415.14557	15.5
416.14822	1.0
565.44653	1.4
653.37677	5.8
654.37744	0.7
684.28656	0.3
707.35016	5.6
707.46362	0.4
708.35114	0.9
725.35687	2.5
726.37091	0.4
963.58759	1.5
964.59521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51756	4.9
96.40568	3.0
144.74380	2.8
160.23599	2.8
167.91656	2.9
209.11670	4.7
284.09439	2.9
423.33005	6.0
469.33209	8.0
487.34299	100.0
488.34662	45.8
489.35031	4.1
711.61371	3.8
777.10541	3.3
822.71082	4.2
929.67511	3.0
978.42841	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	964.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
68.31033	9.4
69.39485	29.3
69.39906	38.6
78.39031	10.0
82.31891	9.7
92.66029	10.8
95.22326	11.7
114.50620	8.7
114.95362	9.1
135.92024	19.1
144.94086	10.9
209.11778	26.2
469.33212	13.9
487.34302	100.0
488.34415	74.8
647.90253	11.6
951.19348	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	965.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39704	2.3
69.40119	1.6
70.05070	0.5
71.01252	11.6
72.99167	1.2
73.02814	2.3
80.04932	1.3
83.01242	1.6
85.02834	3.5
89.02328	6.9
95.01238	1.0
96.01701	0.6
96.95911	0.6
101.02332	6.2
102.35654	0.6
104.04908	0.6
106.05840	0.6
106.06512	2.4
109.00826	0.5
112.99539	0.5
113.02326	6.3
119.03377	2.1
119.04914	0.8
120.08086	0.8
121.05267	0.8
122.06018	5.1
132.04424	2.1
133.02838	5.2
134.03360	0.5
134.06015	20.4
135.04431	5.0
135.06339	0.8
136.04773	1.1
137.02338	1.0
145.02852	0.6
152.07053	3.5
158.02351	0.8
160.03970	1.1
160.06311	1.6
161.02353	10.4
162.02686	1.9
174.05544	0.8
178.93155	0.6
179.03419	5.7
180.03748	0.9
190.04985	2.2
196.92561	0.5
202.75214	0.5
213.10262	9.7
225.10323	1.0
226.10881	1.0
227.11708	0.6
239.11842	6.1
241.13441	4.9
251.11700	2.9
265.09851	1.3
267.11353	5.7
268.07315	0.8
277.09781	1.3
279.11325	1.2
285.12460	15.6
286.12762	1.0
293.09647	0.7
293.12930	1.9
295.10800	1.2
305.09341	1.3
307.10791	0.7
309.08835	0.8
313.13507	0.8
314.12546	1.3
316.14539	2.4
324.11804	0.9
327.13428	0.9
328.10870	1.6
332.17706	0.6
337.11945	2.2
340.10818	1.0
340.14493	6.8
341.14948	1.3
342.12320	1.6
343.13083	1.7
344.13831	1.6
350.52600	0.6
354.12564	0.8
355.13330	1.0
356.14050	2.3
357.14798	1.2
358.15546	6.2
359.16345	0.6
368.10117	1.1
370.11841	1.4
370.15625	1.6
371.16522	0.9
374.15298	0.7
382.15710	1.0
384.13394	5.5
384.17606	1.4
385.13901	1.2
394.15872	0.7
396.13461	1.9
397.14008	1.5
398.15115	3.3
399.15576	0.9
400.16638	7.0
401.16541	0.8
410.15067	2.1
411.15701	1.0
412.16757	6.8
413.16830	1.0
426.14291	2.8
427.15082	0.7
438.14651	1.6
444.15680	2.5
456.14972	0.7
491.20663	0.7
503.20978	0.8
506.58804	0.6
517.18066	1.6
545.21582	0.9
547.24030	0.7
563.22913	1.1
573.21191	1.8
591.22046	1.6
623.20050	1.0
685.28729	1.0
686.29205	0.6
711.25818	0.7
725.28461	1.6
726.28992	0.7
727.30060	4.0
743.28888	1.5
744.30127	0.6
753.27704	20.2
754.28369	3.8
771.28845	100.0
772.29102	21.1
772.43213	0.7
785.30371	7.8
786.30542	1.6
803.31464	75.9
804.31665	18.4
813.30054	1.6
845.32544	7.5
846.32813	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	965.538
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	5.6
78.95776	40.5
85.02814	1.0
89.02313	3.7
91.11908	0.8
96.96827	3.4
97.02823	1.0
98.20554	2.8
101.02297	2.4
103.50652	0.7
111.08023	1.5
113.02336	2.3
119.03406	1.9
143.03453	1.2
152.99495	58.3
153.99866	1.0
167.10692	1.1
171.00568	7.9
179.05521	1.5
195.13814	3.6
227.03200	4.3
229.64784	1.3
245.04294	24.4
246.04430	1.3
253.21707	11.3
255.23271	100.0
256.23590	7.6
275.20102	2.1
291.19656	22.5
292.19925	1.3
293.18076	1.4
293.21237	26.3
294.21420	1.6
379.12729	1.0
387.84448	1.0
397.13403	8.8
415.14456	5.4
481.25745	88.7
482.26059	12.3
483.27277	77.9
484.27744	7.5
689.33673	1.8
812.57678	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03334	1.1
71.01253	15.1
71.22646	0.4
72.01585	0.2
72.19934	0.2
72.99174	1.3
73.00309	0.2
73.02820	2.4
75.00747	0.3
81.03332	0.5
83.01256	2.1
83.04903	0.6
85.02821	3.8
85.99976	0.2
87.00743	3.0
89.02317	12.9
95.01252	0.8
95.04897	0.9
97.02843	1.5
97.06466	0.4
99.00742	0.9
101.02323	10.4
102.02663	0.2
109.02869	0.2
109.06445	0.5
111.00780	0.3
111.04388	0.3
111.08036	7.0
112.08308	0.4
113.02332	6.1
113.09590	0.6
113.58686	0.2
119.03389	3.6
125.02345	4.2
131.03366	0.6
133.04982	0.2
135.11685	0.5
137.09601	0.7
139.03894	0.5
139.11194	0.4
141.01817	0.6
141.09081	0.3
143.03378	1.9
145.04942	0.3
149.04491	0.4
149.09651	0.5
153.09203	0.3
161.04456	2.8
167.03432	0.3
167.10692	1.9
169.12167	0.3
177.12741	1.9
179.03934	0.2
179.05527	4.8
179.10719	1.7
179.14369	0.7
180.36052	0.2
181.12349	0.2
185.04568	0.3
195.13834	12.8
196.14276	0.8
199.06062	0.3
203.14420	0.3
205.12309	0.5
205.15939	0.5
211.13310	0.4
221.06548	1.5
223.13345	5.5
224.30573	0.2
225.15045	0.4
228.13626	1.0
231.21104	0.3
235.08186	3.6
247.20673	1.7
253.09114	1.1
256.13184	1.2
259.08109	0.3
263.07825	0.4
265.21671	0.4
273.18570	0.8
275.20169	4.8
276.20367	0.3
287.07816	1.2
291.12888	0.6
291.19659	85.9
292.20001	6.9
293.21216	100.0
293.53738	0.2
294.21555	8.3
305.08737	1.1
317.21185	0.3
323.09778	1.3
333.20792	0.5
341.10986	0.3
379.12537	2.4
393.96472	0.2
397.13489	32.6
398.13974	2.4
415.14584	13.9
416.15009	1.0
567.40564	0.9
654.27545	0.4
671.32886	3.5
672.33319	0.4
673.34637	1.5
677.70581	0.3
689.33868	7.7
690.34259	1.2
691.35382	2.3
692.35822	0.6
896.48193	0.5
965.54236	1.3
966.55896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.6846
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26819	1.0
71.50477	0.8
72.02290	0.9
79.95650	0.9
80.31900	0.8
114.78655	0.8
126.90347	1.6
145.95532	0.9
183.01112	1.8
184.22066	1.0
201.12709	0.8
206.94748	0.9
294.86166	0.9
307.80423	0.9
311.16901	7.9
333.58612	1.1
471.34799	100.0
472.35144	15.5
830.71448	1.0
965.68481	88.6
966.68878	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.6856
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33488	0.6
70.72365	1.7
78.91751	0.9
84.12655	0.7
96.95887	0.6
107.09231	0.6
126.90341	1.1
139.06969	0.7
171.19720	0.7
179.03152	0.5
198.22121	0.6
218.18750	0.6
255.23198	1.2
270.13614	0.6
344.98959	0.6
393.31693	1.8
423.32648	1.8
471.34802	100.0
472.35181	15.8
480.31073	1.0
761.32086	0.7
965.68494	92.9
966.68915	26.7
966.84399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	6.1
72.99127	1.4
73.02790	0.7
75.00745	2.7
79.75125	0.3
83.01210	0.7
85.02821	14.0
86.03089	0.4
87.00738	2.5
88.98684	0.3
89.02299	1.9
95.00750	0.4
95.01256	4.3
98.19757	0.5
99.00755	4.9
99.91017	0.3
101.02280	1.0
103.00249	2.2
104.31853	0.4
107.01221	0.4
111.00703	0.8
113.02332	24.7
114.02591	0.9
115.00176	1.4
115.00875	0.3
117.01853	1.7
129.01768	1.1
133.02792	1.3
134.03636	0.8
135.04353	1.2
136.98703	3.7
137.02339	0.5
139.00247	0.6
149.04387	1.0
149.99448	0.6
151.00267	2.3
161.02354	1.7
164.01178	0.4
165.01761	0.9
165.98950	0.5
175.02397	11.8
175.03889	0.4
176.02557	0.4
179.03343	0.9
185.02336	0.5
188.04799	0.3
191.05489	0.6
199.03856	0.5
200.04680	0.9
201.01746	0.5
202.02553	0.4
215.03368	0.3
216.04153	1.4
218.78430	0.3
222.53323	0.3
227.03467	1.7
228.04155	1.3
230.02048	0.6
233.06651	0.4
243.02881	0.9
254.20757	0.3
255.02980	2.7
256.03720	2.4
257.04245	0.4
269.04395	0.4
271.02481	1.3
272.03198	1.9
279.18710	0.3
283.02518	3.3
284.03256	29.1
285.03799	4.0
286.04141	0.5
297.03937	0.5
298.04633	0.6
299.05591	43.0
300.02762	44.2
300.05890	3.5
301.03107	3.7
313.03586	0.5
314.04233	1.1
315.05090	100.0
316.05438	7.3
341.06488	0.4
357.06308	0.6
459.06161	0.4
475.08813	28.0
476.09235	2.7
477.09067	0.4
491.08331	41.4
492.08566	3.9
568.11273	0.4
715.52686	0.4
982.20709	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.288
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01764	0.2
68.99683	0.2
69.31733	1.4
69.62505	0.2
71.01254	8.5
72.01580	0.2
72.99172	1.2
73.02814	2.4
75.00750	2.4
79.88799	0.2
83.01254	1.1
84.02058	0.2
85.02822	13.1
86.03166	0.3
87.00751	1.9
89.01763	0.3
89.02319	5.7
93.03334	0.4
95.01263	4.4
99.00758	9.1
100.65672	0.2
101.02316	2.1
103.00249	1.8
105.03409	0.2
107.01280	1.7
111.00790	0.4
112.01513	0.2
113.02329	26.5
114.02682	0.6
115.00264	1.0
115.18346	0.2
117.01852	1.6
117.03339	4.1
121.02831	0.3
125.59837	0.2
129.01857	0.9
131.03404	1.2
133.02878	0.4
135.04376	0.5
137.02328	0.3
139.00262	0.3
145.02834	0.3
149.02428	1.5
149.04454	6.1
151.00258	1.7
157.01382	0.4
157.06476	0.3
159.04420	1.5
161.02353	1.4
161.04428	0.9
163.03865	0.2
165.01842	0.5
169.06532	0.5
171.04626	0.2
175.02396	13.4
176.02751	0.4
179.03429	0.4
180.02396	0.1
180.04155	0.5
181.06476	0.4
183.04439	0.7
191.05511	2.1
195.04651	0.2
195.06548	0.6
196.05194	0.2
197.06026	0.6
201.05501	0.7
224.04683	0.3
225.05519	1.7
225.07681	0.6
227.03406	0.5
233.06592	2.6
239.03380	0.2
268.03693	0.4
269.04544	100.0
270.04886	7.6
285.04071	0.5
293.08792	1.9
311.09921	0.5
326.06659	0.4
333.19193	0.4
335.53992	0.2
360.21130	0.2
427.06747	0.2
445.07755	26.7
446.08066	3.4
459.76767	0.2
461.07312	0.3
465.23248	2.3
479.21259	1.4
643.24451	0.5
682.99280	0.2
786.69769	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	6.5
71.54829	0.4
72.99172	0.6
73.02814	0.7
77.95324	0.4
78.28405	0.3
80.96391	0.4
84.94718	0.4
85.02821	5.5
87.00729	0.5
89.02313	3.9
89.03825	0.6
94.58803	0.4
95.01261	1.9
95.04873	0.4
96.95872	1.0
99.00744	0.4
101.02319	2.3
103.67922	0.4
103.68605	0.5
105.03350	0.5
113.02328	10.0
116.92746	0.6
117.03344	1.4
119.03411	0.9
119.04896	0.4
123.04406	0.5
132.02104	1.8
133.02850	32.5
134.03215	0.9
135.04401	5.8
136.01517	0.4
137.02332	0.7
145.02907	0.7
160.01506	0.4
161.02348	100.0
162.02678	3.7
163.00308	0.4
175.03934	0.5
179.03404	2.3
193.23387	0.4
193.55844	0.4
195.13771	0.7
198.56987	0.5
375.20172	5.8
429.17209	0.5
591.20813	76.4
592.21234	10.3
669.32495	0.4
772.28552	0.5
773.28729	0.7
805.32251	0.7
967.45624	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	11.8
71.51450	2.1
72.99180	2.2
78.95770	3.2
83.01292	2.2
85.02818	6.0
88.98699	2.3
89.02327	14.4
101.02314	7.6
113.02287	7.8
119.03403	2.6
123.69936	1.8
125.02353	2.4
133.02893	3.3
134.03568	3.0
135.04416	9.1
161.02322	7.2
171.10188	13.8
171.97508	1.9
179.03406	7.3
179.05559	2.8
195.13745	3.2
197.11914	2.8
205.12283	3.4
209.11769	8.7
211.13412	12.3
212.13574	2.1
223.13330	27.0
224.13727	3.2
229.14413	4.8
235.08040	2.3
282.74069	2.0
291.19717	2.6
309.20541	8.5
327.21753	100.0
328.22021	8.5
397.13583	35.9
398.13712	2.5
415.14383	12.5
471.34891	3.7
485.32745	2.5
487.34344	18.2
503.33591	15.3
504.33783	4.1
533.35187	2.7
548.65668	2.2
621.27374	31.0
622.28290	4.7
661.74921	2.4
707.34735	17.3
725.36115	7.9
893.38306	2.3
931.49231	27.7
932.49585	10.0
967.47034	25.7
968.47491	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	967.5637
Annotation	Unknow
Peak:m/z	Relative Intensity
67.68562	0.1
68.47589	0.1
69.03320	0.6
69.86835	0.1
69.87238	0.2
71.01256	7.2
72.01597	0.1
72.99177	0.7
73.02827	0.8
75.00737	0.2
78.95786	0.1
81.03329	0.2
83.01273	0.7
83.04936	0.1
84.02005	0.1
85.02349	0.1
85.02826	1.8
87.00758	1.6
89.02320	5.9
93.03336	0.1
95.01250	0.5
95.04895	0.2
97.02840	0.9
99.00756	0.4
99.04400	0.1
101.02325	5.3
105.97756	0.1
109.02835	0.1
111.00759	0.2
111.04394	0.1
111.08047	0.3
113.02335	2.9
113.09622	0.3
115.03864	0.1
119.03388	1.5
121.02837	0.1
123.00797	0.1
124.01477	0.1
125.02341	1.9
129.01862	0.1
131.03407	0.3
133.04977	0.1
139.03874	0.1
141.01825	0.2
141.09109	0.2
143.03416	1.1
145.05017	0.1
149.04408	0.2
152.99500	0.1
161.04462	1.4
167.03426	0.2
167.10721	0.4
169.12285	0.1
171.10239	0.2
177.12709	0.2
179.05528	2.0
179.10728	0.1
179.14383	0.7
181.12271	0.1
195.13849	7.5
196.14468	0.6
203.18037	0.1
205.12306	0.6
205.15919	0.3
211.13365	0.6
217.07166	0.2
221.06606	0.8
223.13361	5.0
224.13739	0.4
225.14966	0.3
228.13594	0.6
231.21251	0.3
235.08212	1.8
239.12914	0.1
245.06693	0.1
249.18791	0.1
249.22154	0.1
253.09250	0.5
255.23363	0.6
256.13153	1.1
257.13510	0.1
263.07672	0.2
265.02737	0.1
265.21780	0.4
275.20172	4.6
276.20502	0.4
287.07846	0.5
293.21234	100.0
294.21558	7.9
305.08765	0.6
314.77301	0.1
317.21228	0.3
323.09821	0.5
335.22296	0.2
341.10703	0.1
343.24033	0.1
379.12415	0.9
397.13510	16.2
398.13852	0.9
415.14584	10.0
416.14920	0.7
483.27139	0.6
484.27563	0.1
569.42163	1.4
570.42462	0.2
636.26086	0.2
654.27399	0.3
673.34351	0.8
674.34863	0.2
691.35461	2.3
692.36108	0.3
931.49756	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	967.5639
Annotation	Unknow
Peak:m/z	Relative Intensity
67.15466	0.7
69.03315	1.9
71.01256	22.8
71.31115	0.7
71.51202	1.2
72.99183	1.8
73.02811	3.7
75.65156	0.8
75.67511	0.9
77.57590	0.9
81.03336	1.3
83.01249	2.4
85.02823	6.3
87.00751	6.4
89.02318	17.4
95.01255	1.2
97.02824	4.4
101.02329	16.4
111.08039	8.5
113.02336	10.0
114.02630	1.0
119.03400	5.5
125.02333	6.7
127.07548	1.0
131.03470	1.0
141.08986	0.9
143.03375	2.5
161.04460	3.4
169.12236	3.8
171.10156	3.4
179.05533	6.3
181.12259	1.6
183.13724	1.2
197.11761	42.1
198.12149	2.3
199.13379	1.7
209.15405	2.8
211.13339	8.5
212.13562	1.4
212.28018	0.9
220.79994	0.9
221.06572	2.4
221.11807	2.0
223.17062	1.0
225.14992	5.0
235.08133	7.0
239.12691	1.3
247.20758	0.8
251.16478	3.3
253.09174	1.3
255.23257	3.8
256.23602	2.5
263.20190	2.5
265.18146	1.0
265.93796	0.8
273.18317	1.1
277.21725	52.2
278.22110	4.8
287.07742	1.8
291.19690	17.3
292.19946	1.7
296.90726	1.0
305.08749	3.1
309.20703	100.0
310.20996	8.2
329.23239	7.1
330.23529	4.5
331.23853	2.5
379.12512	4.7
397.13483	51.0
398.13879	5.4
399.14359	1.0
415.14548	19.5
416.15033	1.2
675.35681	1.4
689.34235	2.4
707.34882	2.0
892.83124	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01258	11.0
71.51526	4.6
83.04910	3.5
89.02329	12.0
96.95900	3.9
101.02322	4.2
115.00299	4.4
119.03397	3.4
125.02389	3.5
133.66670	3.1
158.73125	3.4
161.04594	3.8
179.05493	3.5
209.11755	78.2
210.12169	5.1
227.12897	14.5
235.08348	3.9
279.58560	3.4
293.21237	100.0
294.21689	6.5
296.88849	3.6
305.08743	3.9
379.12451	7.1
397.13474	53.3
415.14523	8.6
487.34448	9.0
516.82257	4.1
587.55463	3.6
589.24927	4.8
607.25879	19.1
637.63721	3.5
673.34436	9.0
691.35498	11.4
846.60394	3.9
883.47540	7.5
884.47498	5.6
969.48334	63.3
970.48755	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	969.5791
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	0.8
69.48698	0.2
71.01254	11.2
71.31662	0.5
72.99187	1.3
73.02819	1.5
75.00750	0.3
78.95749	0.3
81.03332	0.5
83.01254	1.0
85.02821	2.9
87.00755	2.7
88.98699	0.6
89.02319	10.0
95.01261	0.9
97.02824	1.4
99.00760	0.8
99.92464	0.3
101.02332	7.4
101.02996	0.4
111.04407	0.3
113.02322	4.7
113.09608	1.7
116.92759	3.1
119.03386	2.3
119.08628	0.3
125.02351	3.3
143.03381	1.7
149.04463	0.4
152.99471	0.4
161.04480	1.6
167.10623	0.3
177.12776	0.7
179.05528	2.9
179.14374	1.4
181.12221	0.5
185.04442	0.3
195.13838	18.6
196.14236	0.9
205.12437	0.3
211.13364	0.4
211.42567	0.3
217.07043	0.5
221.06544	1.4
223.13391	3.9
224.13606	0.5
228.13602	0.9
233.22676	0.3
235.08197	2.9
253.09155	0.7
255.23322	0.3
256.13077	0.8
256.23538	0.4
263.07745	0.4
275.20145	4.0
277.21732	13.0
278.21964	0.8
287.07855	1.0
293.21225	76.7
294.21564	6.7
295.22775	100.0
296.23132	8.3
305.08789	1.1
323.09756	1.0
375.34247	0.3
379.12491	1.5
397.13489	24.5
398.13815	2.0
415.14560	14.6
416.14832	1.2
484.28137	0.3
571.43890	3.2
572.43903	0.4
624.09918	0.3
673.34338	0.8
675.36224	0.9
691.35455	1.4
693.36945	2.9
694.37683	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58920	4.5
69.59309	6.0
71.01244	7.8
73.02797	2.5
80.04887	2.3
80.96358	2.6
81.03321	2.3
84.58000	2.3
85.02776	5.7
88.74187	2.3
93.03329	5.0
95.01289	3.2
96.95805	2.1
97.80137	2.2
98.20544	3.0
99.00731	2.7
101.02314	6.0
106.06503	13.6
107.03654	5.7
108.02059	96.6
109.02866	29.6
113.02332	5.3
119.04935	2.2
121.02837	5.9
122.06018	26.2
123.00780	2.9
123.04447	4.0
132.04414	5.1
133.02834	9.8
134.03665	2.2
134.06012	43.9
135.04405	10.8
136.04741	2.3
137.02327	6.1
139.02687	3.0
146.05989	2.3
148.03880	2.9
150.05450	3.4
151.03899	6.3
152.01064	100.0
152.07088	35.3
153.01845	23.7
160.03976	2.2
161.02342	15.0
162.05537	2.3
163.03918	5.3
177.01807	5.1
179.03401	8.0
189.81888	2.0
213.10147	2.9
214.00256	2.0
225.10106	2.8
239.11865	5.7
241.13403	2.8
251.08163	6.9
251.11954	2.9
252.08849	2.7
263.08258	4.8
264.08936	3.2
265.09872	5.0
267.11310	12.0
273.57904	2.7
277.09821	6.0
279.07800	7.8
279.11322	10.2
283.11169	2.3
285.12494	4.9
291.07755	2.4
292.08505	4.7
293.09409	12.5
293.12503	2.7
295.10812	7.2
305.09250	4.5
307.10825	6.9
315.07217	22.1
316.14581	2.7
321.08682	6.2
321.12512	3.2
333.08655	2.8
339.09940	4.6
351.09860	4.8
354.12262	2.6
368.10193	3.4
372.17120	3.9
384.13519	11.3
394.35294	2.7
398.14957	8.1
400.16757	7.0
410.15115	3.2
412.16574	6.9
426.14005	4.2
438.14453	2.7
440.16150	7.9
442.17563	4.1
458.16949	11.1
468.15540	6.8
486.16599	25.2
487.16309	2.4
504.17694	4.1
519.23956	2.6
545.21289	2.9
591.22632	2.6
614.06482	2.4
679.36902	11.7
680.37079	3.4
709.20996	2.8
802.24603	18.4
834.27820	11.3
848.28589	7.3
907.30469	49.4
908.30353	15.3
939.33081	99.0
940.33276	26.5
971.35510	89.8
972.35498	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	3.3
71.01249	29.1
72.99168	1.6
73.02820	3.5
76.49910	1.2
80.29363	1.3
81.03308	2.5
83.01254	5.2
83.04927	1.5
85.02813	8.1
87.00745	5.5
88.98684	1.5
89.02307	18.9
95.01260	2.9
95.04889	2.3
97.02808	4.7
97.06451	3.9
99.00735	2.6
101.02322	20.1
113.02294	10.3
116.92742	3.2
119.03413	6.2
121.02822	1.6
121.06447	1.4
123.04398	2.6
123.08023	2.0
125.02350	6.5
125.09595	8.6
129.01801	1.3
131.00854	1.9
131.03355	5.0
133.02803	1.5
135.04433	1.3
137.09619	2.9
141.01764	1.3
143.03365	3.6
161.02425	1.6
161.04442	4.4
163.11208	6.2
167.10664	3.9
171.10268	1.3
177.12817	2.1
179.03471	1.5
179.05579	7.5
179.10699	2.6
179.14311	5.2
181.12282	1.7
183.13736	1.3
185.11696	6.9
191.14343	6.1
193.12386	1.3
195.13818	12.0
195.22392	1.2
197.11803	1.5
201.09348	1.4
205.12227	9.3
207.10117	3.7
209.11749	15.5
211.13298	3.5
221.06548	2.8
223.13342	100.0
224.13670	5.5
225.11230	4.2
227.12898	1.4
235.08113	5.9
237.11258	1.8
241.86296	1.6
245.19058	14.4
253.09119	1.7
263.07617	1.5
263.20047	3.8
271.16992	3.0
287.07867	2.1
289.18091	58.8
290.18338	3.2
300.41815	1.5
305.08606	1.8
307.19128	65.3
308.19406	5.2
323.09796	1.6
379.12378	4.5
397.13458	48.3
398.13986	1.9
415.14575	16.1
415.24796	1.5
417.51447	1.3
448.54849	1.6
485.32718	16.4
495.31473	1.7
513.32001	3.0
603.26288	4.6
621.27661	7.9
656.71057	1.4
687.32428	2.7
705.32990	3.9
795.38074	12.1
796.38293	2.2
813.39124	5.7
875.45807	3.4
893.45374	5.6
911.45734	8.0
912.46283	2.8
986.74402	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5943
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99673	0.4
69.03311	1.6
69.40554	3.2
71.01257	17.4
72.99171	2.5
73.02814	3.1
75.00739	0.6
81.03344	0.7
82.50449	0.4
83.01244	1.6
85.02827	3.9
87.00750	4.4
89.02317	14.1
95.01260	1.3
96.95883	0.5
97.02841	3.0
97.06449	0.6
99.00724	1.0
101.02328	13.1
101.54978	0.4
111.04364	0.8
113.02330	6.7
113.09608	0.4
114.93259	0.7
116.92755	3.4
119.03391	3.5
125.02335	6.4
131.03377	0.6
133.04974	0.8
141.01848	0.7
143.03400	2.6
145.02820	0.4
161.02371	0.8
161.04500	3.1
167.03407	0.5
179.03294	0.6
179.05586	2.3
179.14259	0.6
195.13847	8.7
196.14435	0.8
205.12299	0.7
217.07057	0.5
221.06563	1.4
223.13354	7.1
228.13635	0.8
231.21236	0.5
235.08208	8.0
253.09187	1.2
256.13190	1.4
265.21594	0.5
275.20184	5.1
279.23294	47.6
280.23611	3.6
287.07791	2.5
293.21225	100.0
294.21570	5.8
305.08771	2.8
323.09802	1.0
379.12360	0.5
397.13495	75.4
398.13846	4.2
415.14594	24.2
416.14697	1.1
469.33353	0.4
540.77600	0.5
677.37347	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	973.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01270	10.8
71.52118	1.7
72.99186	2.7
74.72395	1.3
75.00755	2.1
80.74210	1.6
83.01250	7.1
85.02835	8.5
87.00758	2.0
93.03328	2.2
95.01255	6.7
97.02872	1.4
99.00731	2.1
100.71975	1.6
107.01291	11.4
109.02843	11.3
111.00748	3.7
113.02304	11.2
121.02838	4.8
123.00765	1.8
124.24129	1.4
124.98700	1.7
125.02342	19.8
125.35929	1.5
129.94189	1.3
133.02855	12.7
135.00807	2.9
135.04411	3.4
137.02361	11.7
139.00270	5.9
149.02362	8.0
151.00281	32.5
151.03966	2.2
152.01001	4.1
153.01871	12.4
161.02303	2.9
163.00288	16.2
163.94514	1.5
164.00575	2.2
164.98232	2.4
165.01833	9.8
165.05527	1.7
166.99719	2.0
169.01343	8.5
175.02426	3.1
175.03917	4.7
177.01848	5.5
178.99780	29.9
180.00253	1.8
181.01361	15.4
182.01904	1.8
183.02948	1.5
187.03941	1.4
190.99794	8.9
191.03473	3.2
192.00587	2.4
193.01366	11.0
194.01674	1.7
199.02322	1.6
199.03937	6.3
201.01872	2.1
201.05492	3.2
203.03436	5.4
206.99297	6.8
207.99860	2.7
209.00864	13.4
211.03993	2.8
215.03432	1.4
217.04979	3.4
219.02974	3.3
225.00412	1.8
227.03436	4.3
229.04895	2.7
230.02220	2.0
231.02917	5.1
243.02930	5.3
245.04510	4.5
255.03046	9.1
256.03690	1.9
257.04578	3.6
261.03915	1.9
271.02457	11.8
273.04041	6.8
283.02328	5.3
284.03183	3.9
285.04037	100.0
286.04370	20.5
287.04678	3.3
289.03317	3.3
291.05124	2.4
299.01962	23.8
300.02673	10.9
301.03537	88.4
302.03848	6.6
317.03006	54.0
318.03360	5.6
319.04318	1.6
327.04907	1.8
331.72449	1.7
335.03888	5.0
336.04919	2.1
343.04608	1.7
355.03165	2.6
357.04663	3.1
358.05341	4.7
385.04062	6.7
390.04840	1.5
461.07263	54.2
462.07578	13.2
463.07733	4.8
467.08237	3.2
475.04919	2.7
476.05722	6.2
477.06818	42.4
478.06973	5.3
493.06277	15.6
494.06967	12.7
495.07449	5.9
511.07043	9.2
512.08398	3.8
805.48920	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	975.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40192	12.6
71.01260	20.5
72.77229	1.5
72.99189	3.5
75.00764	1.7
79.95520	1.7
81.03345	4.4
83.04906	3.3
85.02824	6.3
86.01638	1.5
87.00771	4.4
88.35970	1.8
88.98678	2.7
89.01818	2.3
89.02315	15.4
95.01286	1.9
97.02842	12.1
97.06474	3.4
99.00739	2.9
101.02319	13.5
101.60678	1.4
107.04896	1.7
109.06469	22.4
111.04356	1.6
111.08057	5.0
113.02338	8.2
116.92729	1.9
119.03402	5.1
119.26891	1.7
123.04411	2.7
125.02358	6.9
125.09587	3.0
130.98448	1.6
133.02876	3.3
135.04376	3.3
135.08041	2.2
137.09599	2.4
161.02376	5.3
161.04437	3.4
161.85664	1.7
163.11191	16.4
164.69411	1.7
171.10179	4.1
179.03369	3.8
179.05591	3.6
181.12167	2.9
189.08914	2.3
197.11861	14.5
207.10219	62.1
208.10611	4.0
209.11763	26.6
211.13354	4.8
225.11308	29.6
226.11581	2.6
227.12897	5.0
235.08278	2.8
273.30161	2.2
289.18140	7.2
291.19669	18.7
299.15128	2.0
305.08838	1.9
307.19141	5.9
309.20712	53.5
310.20987	3.5
366.59412	1.8
379.12283	2.5
397.13480	36.8
414.91318	1.7
415.14676	13.0
469.33200	4.0
485.32675	25.8
486.32990	24.4
487.34280	100.0
488.34543	22.3
489.35693	7.7
590.21881	1.9
605.24628	5.2
623.26013	4.1
680.05975	2.1
689.33649	1.9
707.35114	4.3
897.45007	4.2
915.46002	54.8
916.46790	11.2
927.83313	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	975.6926
Annotation	Unknow
Peak:m/z	Relative Intensity
70.54020	0.3
71.01272	0.2
88.91886	0.1
97.06511	0.4
164.81613	0.2
191.14386	0.2
198.69446	0.2
336.33740	0.2
373.25360	0.2
375.26767	0.2
377.28397	1.1
389.28455	0.2
391.30255	0.3
393.31708	1.7
394.32166	0.4
403.30112	0.5
405.31628	0.6
407.29401	0.2
407.33755	0.2
409.30884	0.3
421.31244	0.4
423.32730	6.8
424.33035	0.9
425.26672	0.3
425.34296	1.7
426.34418	0.2
437.30624	0.6
439.32147	1.0
441.33780	2.3
442.33887	0.4
443.35098	0.2
451.32007	0.2
457.33276	1.1
467.31714	2.5
468.32114	0.3
469.33206	5.5
470.33453	1.0
475.34216	0.3
487.34277	100.0
488.34610	15.4
501.31799	0.2
513.32166	0.4
934.85571	0.2
946.51270	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	975.6928
Annotation	Unknow
Peak:m/z	Relative Intensity
69.96749	0.1
69.97089	0.3
70.96245	0.1
71.01215	0.1
71.04882	0.6
83.34388	0.1
97.06441	0.1
118.79322	0.1
205.15813	0.1
371.29529	0.3
377.28537	0.1
389.28430	0.2
391.29868	0.1
393.31485	0.1
405.31610	0.3
406.28247	0.2
407.33368	1.0
408.33755	0.1
409.01224	0.1
421.31476	0.2
423.32635	0.7
425.34320	0.9
426.34631	0.2
427.32071	0.9
428.32413	0.2
437.30704	0.1
439.32590	0.2
443.35281	0.6
455.31439	0.2
467.31812	0.2
469.33191	13.7
470.33527	2.0
487.34262	100.0
488.34607	13.8
513.32379	0.3
514.32593	0.1
879.78625	0.1
894.12482	0.1
956.11066	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	975.6917
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	0.6
71.52535	0.2
78.95789	0.2
81.03349	0.2
85.02824	0.3
87.00750	0.2
88.98667	0.3
89.02314	0.2
96.95868	0.2
101.02298	0.3
106.64160	0.2
109.06498	0.4
111.03801	0.2
113.02351	0.4
133.02841	0.5
135.04422	1.2
136.04706	0.2
137.02362	0.2
161.02312	1.0
179.03409	0.8
180.19536	0.2
197.11751	0.4
207.10172	0.7
208.10489	0.2
219.25967	0.2
225.11246	0.3
293.21155	0.2
309.20749	1.0
310.21149	0.2
362.35275	0.2
391.30054	0.2
393.31171	0.2
397.13452	0.6
405.31342	0.2
409.31094	0.6
467.31580	0.4
468.32419	0.3
469.33392	0.9
485.32776	4.3
486.33145	5.5
487.34290	100.0
488.34650	14.2
489.35126	2.2
915.46112	0.8
916.47400	0.2
950.45203	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	17.6
72.99205	7.2
75.00751	100.0
78.95797	9.4
81.93201	5.2
87.00790	7.5
89.02310	10.9
91.27576	6.3
101.02322	11.1
109.13914	5.5
113.02328	7.1
120.11810	5.7
135.04413	7.4
161.02357	12.3
195.13991	6.8
197.11707	16.6
223.13322	24.6
224.13847	8.7
279.61963	7.7
289.58063	5.6
291.19629	7.5
293.21182	13.5
309.20645	18.0
310.21021	25.1
311.21274	7.8
397.13312	12.2
398.13791	9.7
437.41907	7.2
459.99780	6.1
469.33218	22.4
470.33224	6.6
472.06546	6.3
487.34180	16.9
488.34839	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	977.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99695	0.1
71.01257	2.7
72.99181	0.5
73.02824	1.6
75.00732	0.5
81.03339	0.1
83.01260	6.5
83.65205	0.1
84.01581	0.1
85.02823	2.9
87.00736	0.9
89.02321	0.6
95.01273	0.9
99.00760	2.2
101.02328	4.3
103.00248	0.2
105.03391	0.2
107.01263	1.3
108.99168	0.1
109.02840	0.6
113.02332	2.2
114.38071	0.1
115.00249	0.3
117.01810	0.3
118.36871	0.1
121.02839	0.4
123.08025	0.5
125.02355	0.1
127.00272	2.4
129.01817	0.3
132.02158	0.1
133.02846	4.6
135.04399	0.3
137.09636	0.2
145.02802	0.1
149.02347	1.4
151.00284	3.3
151.03931	0.2
161.02402	0.1
161.04494	0.2
163.00397	0.1
163.11186	0.7
169.12054	0.1
171.04419	0.3
173.05983	0.1
175.02422	0.4
175.03925	2.0
177.01880	0.3
178.25043	0.1
185.06020	0.5
187.03925	0.1
189.05550	0.2
189.12759	0.8
190.13057	0.1
197.06006	0.3
198.03107	0.4
199.03906	1.8
200.04309	0.1
201.01869	0.6
205.05180	0.1
207.13892	0.6
211.03896	0.1
213.05493	0.4
215.03465	0.3
217.04993	1.1
223.03941	0.2
229.04977	0.3
239.03410	0.2
240.04274	0.2
241.05000	1.0
242.02351	0.1
243.02969	0.7
255.03073	0.2
257.04480	0.4
267.02957	0.4
269.04572	0.2
283.02469	0.2
284.03256	0.5
285.04037	100.0
286.04401	7.2
297.04028	0.5
298.04614	0.2
299.05527	0.2
300.02756	0.1
301.03595	0.2
313.03543	0.2
327.05045	1.0
340.04800	0.2
355.04568	0.2
357.05997	0.9
358.06439	0.1
369.06180	0.3
381.06119	0.4
399.07462	0.1
443.05936	0.1
461.07254	43.5
462.07605	4.1
479.08289	0.1
515.21338	11.7
516.21753	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99692	0.6
69.03313	0.2
71.00855	0.3
71.01250	9.1
72.99184	1.7
73.02814	0.9
75.00746	4.3
81.38213	0.2
83.01254	0.6
84.02025	0.5
85.02822	20.0
86.03143	0.5
87.00744	3.2
89.02318	1.4
95.01260	5.7
99.00758	7.5
101.02324	0.3
103.00250	2.6
103.32791	0.1
107.01281	0.7
111.00745	0.6
113.02328	27.9
114.02661	0.5
115.00256	1.6
117.01822	1.9
129.01820	1.7
133.02867	0.5
134.03609	0.4
139.00256	0.3
147.29314	0.2
148.01520	0.3
151.00269	1.3
157.01381	0.6
167.22270	0.2
169.01309	0.2
175.02394	12.6
176.02753	0.3
187.03780	0.2
200.04681	0.4
211.03957	0.4
227.03481	0.7
229.20926	0.2
255.02945	0.8
256.03766	5.1
257.04135	0.3
283.02475	0.6
284.03247	98.5
285.03601	7.1
298.04666	0.5
299.05591	100.0
300.05936	6.8
341.06607	0.4
371.07709	0.4
380.59497	0.2
428.60333	0.2
475.08801	64.5
476.09131	7.4
522.86517	0.2
542.11737	0.2
549.54462	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	978.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80797	22.8
69.81178	20.9
71.01255	13.4
78.95773	11.8
88.69162	9.4
88.98690	13.1
89.02307	12.0
97.02857	13.9
98.19878	14.6
113.02329	14.2
115.86385	11.2
116.92754	13.5
121.02937	10.7
121.53491	9.9
135.04385	17.0
161.02252	18.7
161.04327	9.6
179.03362	22.2
225.11227	10.8
263.30743	11.2
309.20715	35.1
310.21167	14.4
485.32782	24.7
486.33051	29.3
487.34052	88.1
488.34644	100.0
489.35065	96.2
490.36084	16.1
644.54230	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	979.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	48.4
72.99185	7.9
73.02821	29.4
75.00752	0.8
83.01233	3.0
85.02825	25.1
87.00741	3.0
89.02319	48.8
90.02628	0.8
93.03365	0.7
95.01267	9.0
95.04881	0.8
97.02833	3.0
98.26211	0.5
99.00759	100.0
100.01082	1.9
101.02324	20.6
107.01266	2.3
108.02088	1.1
109.02843	0.7
111.00702	0.6
113.02335	54.6
113.82108	0.6
114.02618	0.9
115.00182	0.7
115.03886	0.9
119.03387	4.7
119.08550	0.7
121.02835	1.9
121.10118	18.0
123.04449	0.8
125.02351	3.1
129.01778	0.8
131.03403	12.4
132.02075	0.7
133.02853	12.4
134.03677	1.0
135.04405	6.6
136.01569	30.1
137.02367	1.4
143.03419	3.7
145.02815	1.0
149.02385	2.2
149.04463	36.4
150.03162	1.0
150.04889	0.8
151.00346	3.1
151.03922	25.8
152.04282	1.5
161.02400	11.1
161.04463	20.3
161.05858	1.5
162.02771	0.8
163.11211	0.7
165.09122	33.5
166.09457	1.1
173.04488	1.2
175.03912	2.4
175.11162	0.9
179.03419	6.3
183.10265	1.4
191.05548	23.2
192.05798	0.7
193.12244	1.1
199.03867	1.0
207.10222	8.0
215.05418	0.7
217.05139	1.2
233.06616	11.9
234.06920	0.8
237.11282	11.4
238.11845	0.7
285.04050	81.7
286.04459	5.1
293.08759	6.3
297.13425	14.6
298.13837	0.8
311.09735	1.2
327.14520	1.5
339.14523	6.5
342.11148	1.7
345.15543	5.0
357.13419	30.0
358.13739	2.9
358.91992	0.6
358.97018	0.7
369.15674	0.7
381.15677	3.1
433.20862	0.6
441.17462	1.5
459.18756	49.6
460.19055	5.3
477.19785	88.7
478.20120	8.9
501.19617	0.8
518.79840	0.6
519.20654	4.4
523.02441	0.6
543.21112	3.2
621.24121	11.1
622.24091	1.0
623.20233	0.8
693.35211	2.7
899.29120	1.0
979.37042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
70.33902	0.4
71.01257	3.3
72.99168	0.8
75.00746	1.4
83.01268	2.2
85.02824	4.7
87.00747	1.6
89.02319	0.9
95.01267	1.5
99.00756	1.9
106.37910	0.4
107.01262	4.6
109.02831	3.0
111.06961	0.5
113.02315	5.4
121.02826	1.5
124.53706	0.4
125.02353	4.8
128.87529	0.5
129.01782	0.5
133.02849	21.2
134.03178	1.5
135.00737	0.6
135.04420	1.7
137.02365	3.4
145.02760	0.5
146.02371	0.5
149.02348	2.4
150.99127	0.9
151.00276	12.6
151.03960	0.6
152.00569	0.5
161.02312	3.1
163.00310	0.7
164.03473	2.4
165.01863	0.6
169.01274	0.8
171.04431	0.5
172.03990	0.7
175.02429	1.5
175.03929	3.7
177.01851	6.2
178.99821	3.0
179.03397	1.0
183.04501	0.7
185.05978	0.8
187.03899	0.5
188.03412	1.1
190.05046	1.7
193.01341	1.4
193.03413	1.0
197.06024	0.8
198.01732	0.7
199.03967	2.5
200.04504	0.5
201.01871	0.9
203.03381	0.9
205.01370	2.7
211.03793	0.9
212.04558	0.7
213.05490	1.1
215.03522	0.8
216.03006	1.8
217.04956	2.2
218.05156	0.6
225.05502	0.6
227.03458	1.3
229.05020	1.7
231.03015	1.0
232.02431	5.3
239.03450	0.6
241.05051	2.8
242.02019	0.5
242.04875	0.6
243.02954	1.4
245.04604	0.7
249.48625	0.5
253.04971	1.1
255.03023	2.7
256.03714	2.1
257.04550	5.1
258.43250	0.6
267.02893	0.9
269.04562	3.4
273.04016	1.2
279.02863	0.7
280.06134	1.0
283.02429	2.1
284.03235	11.3
285.04037	100.0
286.04379	26.2
287.04529	4.3
297.00656	0.9
297.04034	16.3
298.04337	1.5
299.05447	1.0
300.05356	2.3
301.03503	7.2
302.04230	3.1
314.06662	1.0
324.05124	45.7
325.05539	5.0
327.05182	1.3
328.05185	0.6
340.04837	0.5
342.06183	39.5
343.06671	2.9
354.06396	0.7
357.06216	1.0
366.06049	0.7
369.04858	0.7
384.07227	1.1
394.05292	0.5
396.07281	1.3
417.14859	0.5
433.07660	1.0
438.07947	0.5
461.07242	45.1
462.07639	16.7
463.07745	4.1
464.07971	0.6
477.06534	1.6
500.08344	27.1
501.08517	3.0
517.07867	1.2
517.21802	0.9
518.09424	34.3
519.09814	5.3
977.63226	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84395	34.9
70.84727	28.7
71.01251	37.0
90.79751	23.0
101.02334	25.4
112.88612	21.6
113.77810	25.0
116.92733	23.3
135.04390	55.5
161.02362	63.6
171.10219	22.3
175.37724	23.9
179.03351	49.6
209.11739	100.0
309.20648	27.5
343.78241	21.6
357.84598	25.9
397.13300	35.8
503.33829	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99667	0.6
69.03322	2.8
70.80927	0.8
71.01253	30.5
72.01579	0.4
72.99180	17.1
73.02817	14.7
73.03250	0.6
74.54470	0.4
75.00739	1.0
81.03316	0.8
83.01257	8.0
83.04916	0.4
84.02056	0.4
85.02821	21.8
85.99930	1.6
87.00757	2.4
88.98677	0.7
89.02310	6.0
93.03328	0.6
95.01266	4.1
96.95879	0.8
97.02837	5.2
99.00758	9.9
101.02321	30.0
102.02656	0.6
108.02041	1.4
109.02850	1.0
111.00774	2.3
111.04413	0.6
112.01543	3.6
113.02331	22.3
119.03396	1.0
121.02845	1.8
122.03593	0.4
123.00755	0.5
123.04424	0.4
124.01480	0.4
125.02332	3.2
127.03899	0.7
129.01810	1.1
131.03380	1.1
133.02843	5.2
134.03627	0.7
135.04417	4.4
136.01556	24.3
137.02426	1.7
141.01799	0.4
143.03380	3.2
145.02866	1.1
149.02333	0.6
150.03175	0.4
151.03920	20.2
152.04189	0.6
159.02893	1.8
159.04184	0.5
160.05243	0.4
161.02359	12.9
161.04413	5.4
161.05679	0.6
162.02774	1.1
163.03922	1.0
165.09108	0.4
173.05975	0.4
175.03868	0.5
179.03424	4.8
180.03775	0.5
183.13719	0.9
185.11784	3.8
202.06207	0.4
209.11746	0.5
211.13330	0.6
227.12814	0.7
237.14949	1.6
285.04105	0.4
285.17038	0.4
299.40796	0.3
303.18094	5.0
329.16034	4.7
342.11362	0.8
347.17099	13.9
348.17355	1.1
357.13422	18.8
358.13702	1.1
375.20261	3.6
376.20581	0.4
387.16382	0.3
389.18106	1.3
403.16232	0.7
435.22311	0.6
443.19199	1.1
449.27396	0.5
461.20267	100.0
462.20627	9.1
479.21329	93.4
480.21680	8.8
503.21371	1.4
519.18878	1.0
521.22357	7.0
522.22711	0.5
545.22583	4.2
563.23712	0.6
575.23505	0.6
591.20837	2.4
593.31683	1.0
605.24945	0.8
606.24963	0.4
621.18091	0.9
623.25757	11.7
624.25867	1.2
719.25159	0.4
981.39825	1.6
982.39893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	1.3
71.01254	14.6
71.04897	1.4
71.31524	0.5
72.99171	1.4
73.02818	1.7
75.00739	0.4
80.02548	0.7
81.03328	1.2
82.95277	1.1
83.01277	1.4
83.02361	0.9
83.04912	1.1
85.02818	3.6
86.03156	0.4
87.00749	3.6
89.02317	12.1
93.03381	0.4
95.01262	1.6
95.04905	1.2
95.72745	0.3
97.02837	2.0
97.06443	0.5
99.00743	0.7
100.03214	0.3
101.02328	11.0
103.68819	0.3
106.04135	0.7
107.04886	0.3
109.06479	8.0
110.06850	0.4
111.00735	0.4
111.04425	2.1
111.08059	1.2
113.02332	5.9
113.09607	0.5
119.03384	2.7
123.07960	0.7
125.02338	4.0
126.12421	0.3
127.07510	1.1
131.03381	0.7
135.08089	0.4
137.09653	0.7
141.01810	0.5
143.03429	1.9
143.10651	0.6
145.06488	2.0
149.09624	0.7
151.11217	0.5
161.04454	2.5
163.11148	0.4
167.10725	2.5
171.10197	0.6
177.12802	0.4
179.03343	0.4
179.04008	0.4
179.05537	4.4
179.10674	0.9
179.14313	0.7
181.12311	0.5
191.14313	0.4
195.13847	8.6
196.14104	0.4
205.12280	0.8
205.15904	0.4
211.13475	0.3
217.07069	0.5
221.06630	1.7
223.11337	0.6
223.13358	6.2
224.13974	0.5
225.14835	0.5
228.13669	0.9
235.08234	2.8
235.13463	0.5
245.19078	3.4
251.16571	0.5
253.09305	1.1
256.13110	1.0
263.07745	0.4
271.17114	1.1
272.17365	0.4
275.20154	4.6
279.16330	0.4
287.07715	1.1
287.16492	1.2
289.18097	84.2
290.18463	5.7
291.19769	0.8
293.21222	100.0
294.21518	5.6
305.08762	0.8
307.19168	5.4
309.20734	0.4
317.21179	0.5
323.09842	0.9
379.12405	2.8
397.13492	32.0
398.13763	1.6
415.14575	14.1
416.14951	0.7
654.26807	0.4
669.31415	1.0
673.34802	0.6
687.32288	2.7
688.33148	0.6
691.35150	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	981.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	1.9
71.01256	15.0
71.50677	0.5
72.99184	1.4
73.00298	0.4
73.02815	2.1
78.14635	0.4
78.95760	0.5
80.02563	0.4
81.03330	1.5
83.01249	2.1
83.04890	1.2
85.02819	4.6
87.00744	4.0
89.02318	13.5
93.03338	0.5
94.85979	0.4
95.01266	1.2
95.04901	1.1
96.95895	0.9
97.02828	3.3
97.06482	2.3
99.00755	1.0
101.01701	0.8
101.02323	11.0
108.40234	0.5
109.02843	0.5
109.06460	0.6
111.08025	0.8
113.02332	6.2
113.09603	0.9
119.03391	3.3
121.06463	0.7
123.04387	2.3
123.08006	0.8
125.02351	4.5
125.05998	0.6
125.09607	3.0
128.06712	0.4
133.02859	0.6
135.08066	0.6
137.05975	0.5
137.09607	1.6
141.01801	0.5
143.03436	2.4
151.11205	0.9
152.99438	0.5
161.04465	2.7
161.09674	0.6
163.07536	0.6
163.11182	3.1
165.12778	1.4
167.10733	0.7
171.10190	1.5
177.12796	0.6
179.03633	0.4
179.03967	0.5
179.05536	3.8
179.10670	0.8
179.14276	0.9
181.12297	0.9
185.11777	3.6
191.10622	0.8
191.14349	4.4
195.13850	8.7
196.14458	0.6
197.11729	0.5
204.94609	0.4
205.12263	1.0
207.10229	1.6
209.11789	8.5
210.12169	0.7
211.13287	1.9
217.07346	0.5
217.15862	0.5
221.06616	1.8
223.13335	6.3
225.11240	1.5
227.12859	1.1
228.13567	0.9
235.08269	3.5
237.11255	1.9
245.19063	8.2
253.09158	0.8
255.23245	0.7
256.13217	0.7
263.07666	0.5
263.20184	2.5
271.17001	1.1
275.20132	5.5
277.09384	0.5
277.21671	0.6
281.21179	0.8
287.07730	1.2
287.16876	0.5
289.18103	37.4
290.18417	2.7
291.19586	1.2
293.21228	100.0
294.21594	7.4
295.22849	0.6
305.08679	0.7
305.17529	1.4
307.19159	38.1
308.19476	3.4
309.20724	1.4
323.09534	0.5
325.20212	1.0
379.12329	1.4
397.13480	26.0
398.13763	1.4
415.14542	13.8
416.14859	1.2
498.33163	0.5
586.43433	0.5
607.26093	0.7
629.46045	0.4
687.32245	1.4
691.35309	0.9
705.33276	1.5
856.97717	0.5
883.46832	1.2
912.46820	0.5
981.54523	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	981.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03335	2.4
71.01256	29.9
71.52157	1.3
72.99191	2.6
73.02827	3.3
75.00718	1.0
81.03324	2.0
83.01271	3.5
83.04893	2.1
85.02815	7.1
87.00742	7.7
87.33098	1.2
89.02319	22.6
95.01306	1.3
96.95890	2.7
97.02843	4.1
97.06481	2.5
99.00762	1.7
101.02332	18.0
107.80111	1.1
109.06457	3.5
111.08027	11.4
113.02330	11.1
119.02673	1.1
119.03356	6.1
123.04391	2.3
123.08034	1.5
125.02351	8.7
125.09597	3.1
131.03430	1.2
135.04408	1.2
137.09589	1.8
143.03413	4.2
150.36241	1.3
161.02390	2.8
161.04483	4.1
163.11212	3.7
165.12752	1.7
167.10715	2.1
169.12256	3.4
171.10208	1.8
177.12740	2.2
179.03372	2.1
179.05591	8.5
179.10670	3.4
181.12268	2.6
183.13806	1.5
185.11844	3.0
191.14366	4.7
195.13840	11.4
197.11754	34.5
198.12083	1.5
204.37956	1.2
207.10104	1.9
209.11745	9.6
211.13358	6.5
221.06644	3.9
221.11852	2.3
223.13350	6.1
227.12686	2.8
235.08105	7.0
237.11224	1.8
245.19090	12.3
247.20558	2.6
253.09177	1.7
256.13080	2.0
263.07599	1.4
263.20074	4.1
271.17117	1.6
275.20221	2.9
277.21606	1.4
287.07648	2.0
289.14865	1.3
289.18103	44.7
290.18414	4.1
291.19678	73.0
292.19992	4.5
293.21225	100.0
294.21512	7.3
305.08734	2.0
307.19147	39.4
308.19510	3.5
309.20697	62.7
310.21060	6.4
379.12433	4.6
397.13510	51.2
398.13849	4.6
415.14581	26.1
416.14752	2.2
465.23813	1.2
481.25180	1.6
485.32703	2.9
486.32867	1.6
687.32086	3.0
689.33923	5.9
705.33252	2.3
707.34796	1.7
843.38623	1.3
881.17889	1.3
981.54224	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03310	1.6
71.01255	16.9
72.99159	1.4
73.02842	2.3
78.14336	0.5
81.03325	0.7
83.01250	1.9
83.04893	0.5
85.02832	4.1
87.00752	4.0
89.01756	0.7
89.02317	11.9
95.01254	1.6
95.04878	0.6
96.95876	0.8
97.02833	3.0
97.06450	0.8
99.00739	1.1
101.02322	12.0
109.06487	1.4
111.08045	7.6
112.08321	0.6
113.01620	0.7
113.02335	7.4
119.03380	3.4
125.02348	4.3
127.07504	0.9
131.03366	0.7
133.02861	1.0
135.04425	0.5
137.09601	0.7
141.57935	0.5
143.03377	1.9
145.02824	1.4
149.04460	0.6
153.12799	1.0
161.02342	2.6
161.04431	3.2
163.11195	0.4
165.12761	1.2
167.10681	0.9
169.12267	3.6
171.10204	2.3
179.03419	0.9
179.05521	4.7
179.10612	0.5
179.14343	1.1
181.12172	2.0
183.13818	1.0
187.38737	0.5
193.12300	1.2
195.13834	9.0
196.14284	0.5
197.11766	32.1
198.12117	1.7
199.13322	1.6
205.12259	1.0
205.15939	0.6
207.10162	0.6
209.11765	1.1
211.13362	8.6
221.06636	1.9
221.11784	0.5
223.13345	6.7
227.12773	1.3
228.13577	0.9
235.08209	4.6
247.20634	1.0
253.09218	1.3
255.57806	0.4
256.13071	1.2
258.67502	0.5
263.07349	0.4
263.20108	2.5
265.18094	0.5
265.21628	0.7
273.18408	1.3
275.20175	4.9
277.21646	0.7
278.21817	0.5
287.07776	1.1
291.19675	19.8
292.19977	0.9
293.21225	100.0
294.21545	8.5
305.08832	1.2
309.20709	97.3
310.21066	6.9
323.09766	1.0
379.12503	2.0
397.13513	34.1
398.13885	2.4
408.15839	0.5
415.14597	23.6
416.14886	1.6
469.33353	17.5
470.33484	1.7
471.34711	0.7
585.41809	3.3
586.42731	0.6
633.37579	1.6
634.38452	1.4
635.37842	0.6
654.27393	0.9
664.81787	1.1
665.31439	1.3
665.81812	1.7
689.34070	2.2
691.35266	2.0
692.35919	0.9
707.34833	3.4
822.91669	0.5
983.55109	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.558
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	1.3
69.65871	0.4
70.84273	0.7
71.01252	14.2
72.70344	0.4
72.99163	1.1
73.02821	2.3
81.03342	0.6
83.01247	1.7
83.04877	0.6
85.02828	3.8
87.00760	3.0
87.45251	0.5
89.02314	14.3
95.01246	1.4
95.04911	0.5
95.82439	0.4
96.57047	0.6
96.95905	0.7
97.02805	2.0
97.06407	0.5
99.00739	1.0
101.01701	0.7
101.02319	9.8
109.06498	0.6
111.04350	0.6
111.08038	8.5
113.02328	6.2
113.09593	0.5
119.03388	3.6
125.02347	4.8
127.07492	1.2
131.03363	0.6
139.92278	0.5
143.03424	2.2
150.17050	0.4
151.11179	1.1
153.12782	1.4
161.04448	2.8
165.12584	0.5
167.10603	0.6
169.12273	3.4
179.05542	4.3
179.14345	0.8
181.12215	1.3
183.13806	0.7
193.12239	0.6
195.13823	8.0
196.14449	0.5
197.11760	42.3
198.12093	1.7
199.13301	1.9
205.12309	0.8
211.13326	6.2
221.06628	1.5
223.13321	5.8
225.15002	0.4
227.12804	0.8
228.13678	0.8
235.08154	3.1
253.09248	1.2
256.13129	0.8
263.20160	2.7
264.20291	0.6
265.18112	1.2
265.21490	0.4
273.18561	1.0
275.20157	4.3
287.07706	1.2
291.19653	13.6
292.19974	1.0
293.21216	100.0
294.21603	7.0
305.08737	0.8
309.20703	93.7
310.21027	6.1
379.12375	1.4
397.13501	30.2
398.13876	1.9
415.14560	21.9
416.15012	1.2
471.34845	1.8
472.35220	0.9
585.41626	3.9
595.26807	0.5
673.33655	0.8
689.34082	2.2
690.35901	0.7
691.35382	2.7
707.35089	3.2
983.66425	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03310	0.8
69.87827	2.6
71.01254	18.9
72.99174	2.2
73.02820	2.2
81.96856	0.6
83.01272	1.9
83.04899	1.2
85.02824	4.2
87.00747	4.5
89.02320	15.2
95.01250	1.4
95.04858	1.0
97.02822	2.2
98.19890	1.1
99.00765	1.1
101.02321	15.0
104.53864	0.6
111.04382	1.1
111.08035	6.6
112.39876	0.6
113.02342	8.0
113.09601	0.6
116.92757	1.3
119.03369	5.0
125.02364	5.0
143.03395	2.4
149.04500	0.8
161.04477	4.4
167.10692	1.8
168.80513	0.8
169.12242	0.8
177.12775	2.1
179.05522	5.6
179.10709	0.9
181.81010	0.6
195.13847	12.2
196.14282	0.9
197.11726	1.6
209.11797	1.1
211.13379	1.4
221.06602	2.2
223.13316	5.6
224.13881	0.8
225.14833	0.8
228.13545	0.9
235.08253	4.4
240.64742	0.7
247.20660	1.6
253.09288	1.4
256.13156	1.7
263.07788	0.8
264.40717	0.7
273.18710	1.1
275.20178	5.6
277.21887	1.6
287.07693	1.1
289.17929	1.2
291.19659	84.2
292.19971	7.5
293.21222	100.0
294.21524	9.4
295.22723	2.1
300.36319	0.6
305.08893	1.5
307.19180	1.6
309.20746	4.9
320.36627	0.7
323.09793	1.3
325.20129	2.5
379.12375	0.9
397.13483	28.6
398.13934	2.9
415.14609	15.2
689.33728	0.9
691.35242	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.6455
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03297	0.2
69.39417	0.2
69.39825	0.6
71.00904	0.1
71.01260	2.1
71.04882	0.3
73.02805	0.4
77.07699	0.1
83.04871	0.1
85.02811	0.6
87.00733	0.5
89.02316	1.7
95.01236	0.3
96.20029	0.1
97.02843	0.3
97.06450	0.2
101.02319	1.6
111.08044	0.1
113.02324	0.8
119.03382	0.4
119.04239	0.1
121.10111	0.3
125.02319	0.5
125.09591	0.2
135.04373	0.2
143.03401	0.2
161.02377	0.1
161.04408	0.4
167.14362	0.1
171.10184	1.4
179.05507	0.5
179.14360	0.1
185.11790	0.3
195.13835	1.3
197.11790	0.4
204.79723	0.1
205.16003	0.1
211.13336	4.5
212.13693	0.3
221.06619	0.3
223.13356	0.7
228.13611	0.1
235.08284	0.7
253.09274	0.3
256.13126	0.1
268.10400	0.2
273.18719	0.2
275.20157	0.7
276.20386	0.1
277.21741	1.2
287.07678	0.2
291.19678	4.7
292.20023	0.3
293.21222	15.4
294.21658	1.3
304.61349	0.1
305.08829	0.2
309.20758	1.4
310.21201	0.1
323.09933	0.2
339.27036	0.2
379.12482	0.3
389.28479	0.3
391.30316	0.2
397.13483	5.0
397.18616	0.3
398.13815	0.4
405.31665	1.7
407.33533	0.6
409.31116	0.4
415.14642	2.1
421.31256	0.3
423.32660	0.5
439.31802	0.3
451.32166	0.4
455.31812	0.4
457.33649	0.1
467.31598	0.3
468.32318	0.1
469.33218	100.0
470.33588	12.3
609.27509	0.2
671.33075	0.2
673.34534	0.4
689.33960	0.5
691.35516	0.4
764.55792	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	985.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99699	0.2
69.03326	0.2
70.92220	0.4
71.01254	11.8
72.99176	0.9
73.02817	6.0
75.00729	0.4
83.01263	2.9
85.02824	6.7
85.99961	0.6
87.00740	0.7
89.02317	2.3
95.01254	1.0
96.10293	0.2
97.02812	0.5
99.00758	3.8
101.02322	12.6
102.02643	0.3
111.00755	0.7
112.01558	0.2
113.02329	6.5
114.02627	0.2
119.03386	0.5
125.02316	0.5
129.01810	0.4
131.03400	0.6
133.02827	0.6
134.03612	0.3
135.04439	0.9
137.02322	0.2
143.03394	0.4
145.02859	0.2
149.04449	0.2
159.02861	1.0
160.01567	0.6
161.02426	1.6
161.04460	3.1
163.03905	0.3
165.05540	0.2
175.03928	1.1
179.03394	0.7
185.11783	0.7
191.05519	0.4
193.05045	0.3
205.03522	0.2
211.13318	0.3
225.78894	0.2
226.61760	0.1
235.06041	0.4
237.14864	0.2
265.07159	0.2
279.10590	0.2
295.08304	0.2
303.14807	0.3
303.18112	3.4
304.18402	0.3
329.16058	0.3
347.17096	4.9
348.17566	0.3
355.10324	0.5
393.17792	0.2
435.17606	0.8
461.14444	0.6
461.20355	0.3
479.21313	100.0
480.21667	10.2
505.13638	0.7
505.26529	0.7
623.19861	0.2
637.18604	0.2
637.69879	0.2
695.35846	0.3
741.71832	0.2
944.52020	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.6621
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56524	0.1
71.01266	0.3
71.04888	0.1
83.04874	0.1
86.78837	0.1
87.00760	0.1
89.02326	0.3
95.05000	0.1
97.02840	0.1
97.06480	0.1
98.20634	0.1
101.02318	0.2
111.08023	0.1
113.02322	0.1
116.92722	0.2
119.03362	0.1
161.04454	0.1
179.05476	0.1
195.13905	0.1
196.14209	0.1
197.11719	0.5
198.12117	0.2
205.15971	0.1
211.13280	0.1
235.08159	0.2
253.09315	0.4
277.21719	2.5
278.22076	0.2
291.19916	0.1
292.20007	0.1
293.21225	1.1
294.21579	0.9
295.21838	0.2
309.20712	0.9
310.21039	0.8
311.21359	0.3
374.26205	0.1
389.28415	0.1
391.30026	0.1
393.31564	0.1
397.13394	0.4
398.13934	0.2
399.14056	0.2
407.33221	1.0
408.33530	0.1
411.32947	0.1
415.14679	0.1
416.15045	0.1
417.14896	0.1
423.32745	0.2
425.34390	0.2
427.36392	0.1
439.32297	0.1
441.33566	0.2
451.32062	0.1
453.33801	0.7
454.33887	0.1
469.33215	0.3
470.34048	0.3
471.34772	100.0
472.35117	14.9
513.30609	0.1
633.38550	0.1
735.01367	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	985.6615
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	0.6
71.04890	0.3
77.80478	0.1
83.04868	0.1
85.02821	0.1
87.00769	0.2
88.98685	0.2
89.02316	0.3
97.18730	0.1
101.02331	0.5
113.02345	0.3
116.92733	0.1
122.90741	0.1
143.03346	0.1
149.14807	0.1
171.10271	0.2
195.13757	0.2
196.14116	0.1
211.13332	0.8
212.13681	0.4
213.13818	0.1
223.13272	0.1
235.08328	0.1
253.09305	0.3
259.43317	0.1
277.21701	0.9
291.19659	0.6
292.19980	0.5
293.21201	1.6
294.21649	1.2
295.21927	0.5
309.20837	0.3
335.37485	0.1
397.13486	0.6
398.13974	0.3
399.13986	0.3
407.33459	0.1
415.14777	0.2
416.14975	0.2
427.36444	0.5
453.34009	0.2
469.33264	4.6
470.33636	7.0
471.34778	100.0
472.35153	13.8
472.42181	0.2
505.67261	0.1
652.17023	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	987.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	4.5
71.04881	2.5
71.38569	0.8
72.99196	0.7
73.02857	0.6
78.95771	1.2
83.01249	0.9
83.04871	0.7
85.02821	1.8
88.98662	0.7
89.02312	1.3
93.03333	0.9
94.41875	0.5
95.01263	0.6
96.95877	0.8
101.02319	2.0
113.02312	2.1
117.03351	26.2
118.03696	1.1
119.04066	1.1
119.04911	17.3
120.05270	0.8
121.02810	0.9
123.04431	0.7
133.02858	1.4
133.06505	1.4
135.04428	2.0
137.02321	1.8
145.02855	100.0
146.03198	3.9
152.99498	0.6
159.04381	0.7
160.01535	0.5
161.02354	2.7
161.05989	2.7
163.03922	16.6
175.03978	0.5
177.02032	0.6
179.03378	2.2
187.03906	0.8
205.04964	3.2
265.07178	1.4
281.63239	0.6
292.61859	0.5
307.08167	5.1
349.09116	1.5
367.10217	3.5
377.28424	1.3
378.43054	0.6
393.31464	0.7
395.29431	0.7
419.29547	0.9
421.27505	0.6
433.66446	0.6
437.30643	9.5
438.31009	1.2
455.31644	7.9
456.31949	1.0
469.13422	1.6
473.32724	1.7
499.30707	7.9
500.30563	1.3
501.32098	1.0
517.31714	34.2
518.32062	6.3
559.32770	1.6
644.94861	0.6
825.42847	2.5
841.42346	3.8
987.45978	98.5
988.46350	33.3
988.67206	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01273	1.3
78.95771	2.5
80.96391	3.8
81.13305	1.1
92.99974	1.1
98.19762	2.0
110.63531	1.3
115.65470	1.2
115.82593	0.9
118.07468	0.9
134.99313	7.1
136.97200	3.9
152.99481	2.6
153.33350	0.9
160.78011	0.9
161.06279	7.2
188.45863	1.1
203.05536	3.9
205.03450	1.2
217.07166	100.0
218.07246	6.2
235.08205	1.7
245.04140	1.4
249.35904	1.1
261.06024	2.0
279.23196	3.0
285.13480	44.6
286.13620	3.9
299.06979	1.1
299.25879	3.8
301.16605	51.7
302.16983	4.7
329.23615	1.8
330.23764	1.4
409.61383	1.3
455.17062	1.3
473.17899	1.7
481.25574	1.9
496.13712	2.0
507.27243	3.6
510.16263	1.3
511.16086	1.3
512.13116	1.9
525.14124	1.7
526.14764	7.3
527.15674	1.8
555.28253	6.1
569.17114	1.2
613.19360	3.2
614.19836	3.0
646.50330	1.4
687.23309	2.0
860.36945	1.1
988.50629	1.3
989.40234	70.0
990.40454	26.1
990.59796	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	989.6725
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01238	0.5
71.52245	0.3
75.00746	2.8
83.04907	0.4
87.00745	0.2
88.98676	3.1
89.02311	0.3
93.59017	0.3
97.06466	0.8
101.02391	0.3
107.81297	0.3
109.06503	1.4
113.02330	0.4
116.92729	0.3
133.01363	0.4
133.02791	0.4
135.04462	0.5
137.09572	0.3
161.02376	0.8
179.03354	0.5
223.13373	0.3
267.19589	0.6
281.21347	0.3
305.17938	0.2
305.21225	1.1
309.20874	0.4
317.90521	0.3
389.28528	0.8
397.13687	0.4
403.30087	0.4
405.31763	2.2
406.28754	0.9
407.29391	0.7
409.22809	0.3
409.27280	1.3
410.27533	0.3
415.14130	0.3
421.31311	2.1
423.32880	6.7
424.32935	0.7
425.30618	0.8
437.30807	1.0
439.32169	31.0
440.32562	3.7
441.33719	4.6
455.31714	3.9
456.31976	0.4
467.25183	0.4
467.31732	5.8
468.31842	0.9
469.33228	23.9
470.33600	4.7
471.33994	0.8
484.31219	0.3
485.32721	100.0
486.33081	10.8
486.38699	0.2
499.30484	0.7
503.33768	3.6
504.34216	0.7
513.32465	1.3
1022.39142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35249	5.1
71.01253	45.5
72.99178	7.9
73.02818	25.5
73.03236	0.7
73.98544	0.7
75.00739	1.3
76.51964	0.8
83.01251	3.0
85.02821	25.0
87.00752	2.4
89.02315	49.9
91.01768	0.6
93.03332	3.4
95.01257	7.9
97.02826	2.5
98.20496	1.2
99.00757	91.8
100.01093	1.1
101.02317	18.2
107.04896	1.4
108.02049	1.2
109.02852	0.9
111.00748	1.0
112.01538	0.7
113.02330	52.8
114.02644	1.0
115.03921	1.0
119.03386	4.4
120.05807	0.7
121.02857	4.7
121.09275	1.5
121.10117	17.2
123.04402	2.7
123.31263	0.7
125.02353	3.2
131.03409	10.7
133.02859	2.2
135.04410	0.7
142.89224	0.6
143.03400	5.0
149.02364	3.9
149.04457	40.1
149.87102	0.7
150.04723	0.8
151.03880	2.4
161.02371	1.6
161.04462	20.7
161.05841	1.1
163.11205	1.1
165.09117	41.7
166.09457	1.2
177.01834	0.9
179.03410	20.0
180.03842	1.0
183.10092	1.0
191.03731	1.3
191.05545	25.9
193.12245	1.4
207.10194	11.3
209.04485	4.0
215.05634	1.4
225.11235	1.5
233.06616	13.7
237.11301	14.1
293.08804	6.8
297.13394	18.4
298.13812	0.9
311.10001	1.5
327.14520	2.1
339.14450	8.1
345.15601	4.8
371.11316	1.2
374.35040	0.7
381.15500	3.7
382.15106	0.7
415.19931	1.2
433.19901	0.8
441.17648	2.4
459.18710	70.6
460.19128	5.4
477.19769	100.0
478.20053	7.5
501.19849	1.3
519.20728	8.0
543.20538	3.5
561.22125	0.8
573.22253	0.9
603.23273	1.4
621.23956	15.5
622.24316	1.9
679.36920	3.2
680.37494	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35249	5.1
71.01253	45.5
72.99178	7.9
73.02818	25.5
73.03236	0.7
73.98544	0.7
75.00739	1.3
76.51964	0.8
83.01251	3.0
85.02821	25.0
87.00752	2.4
89.02315	49.9
91.01768	0.6
93.03332	3.4
95.01257	7.9
97.02826	2.5
98.20496	1.2
99.00757	91.8
100.01093	1.1
101.02317	18.2
107.04896	1.4
108.02049	1.2
109.02852	0.9
111.00748	1.0
112.01538	0.7
113.02330	52.8
114.02644	1.0
115.03921	1.0
119.03386	4.4
120.05807	0.7
121.02857	4.7
121.09275	1.5
121.10117	17.2
123.04402	2.7
123.31263	0.7
125.02353	3.2
131.03409	10.7
133.02859	2.2
135.04410	0.7
142.89224	0.6
143.03400	5.0
149.02364	3.9
149.04457	40.1
149.87102	0.7
150.04723	0.8
151.03880	2.4
161.02371	1.6
161.04462	20.7
161.05841	1.1
163.11205	1.1
165.09117	41.7
166.09457	1.2
177.01834	0.9
179.03410	20.0
180.03842	1.0
183.10092	1.0
191.03731	1.3
191.05545	25.9
193.12245	1.4
207.10194	11.3
209.04485	4.0
215.05634	1.4
225.11235	1.5
233.06616	13.7
237.11301	14.1
293.08804	6.8
297.13394	18.4
298.13812	0.9
311.10001	1.5
327.14520	2.1
339.14450	8.1
345.15601	4.8
371.11316	1.2
374.35040	0.7
381.15500	3.7
382.15106	0.7
415.19931	1.2
433.19901	0.8
441.17648	2.4
459.18710	70.6
460.19128	5.4
477.19769	100.0
478.20053	7.5
501.19849	1.3
519.20728	8.0
543.20538	3.5
561.22125	0.8
573.22253	0.9
603.23273	1.4
621.23956	15.5
622.24316	1.9
679.36920	3.2
680.37494	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	994.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22565	42.8
71.01263	8.0
71.64345	4.9
74.27879	4.6
78.95763	4.1
86.00493	4.7
98.20572	10.0
113.02335	9.2
133.02815	7.3
135.04364	10.0
145.02945	7.6
161.02350	12.6
179.03381	11.5
209.11761	11.9
309.20709	5.4
313.42764	5.8
441.33868	8.8
447.74930	4.8
485.32956	6.9
487.34357	52.5
488.34717	89.8
489.35034	64.3
490.35492	10.4
503.33728	100.0
504.34146	52.9
505.34253	5.9
655.51526	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	995.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03332	1.6
69.33404	1.9
71.01257	23.8
72.01588	0.3
72.99181	12.3
73.02820	11.1
75.00768	1.2
81.03352	0.6
83.01258	5.3
83.42311	0.3
85.02828	17.4
85.99996	0.9
86.03188	0.5
87.00745	2.2
88.98645	0.3
89.02325	4.2
91.01788	0.3
93.03337	2.5
95.01274	3.0
95.04930	0.5
96.95893	0.7
97.02828	4.6
99.00758	7.3
101.02325	22.2
102.02642	0.5
102.67277	0.2
107.04933	0.8
108.02109	0.4
109.02878	1.2
111.00774	1.9
111.04406	0.3
112.01555	2.1
113.02333	16.8
114.02707	0.4
115.03941	0.3
117.03333	0.3
119.03368	0.6
119.04955	0.4
121.02836	3.9
123.04427	2.0
125.02323	2.8
129.01836	0.7
131.03401	0.6
132.02058	0.4
133.02852	2.2
134.35890	0.3
135.04442	2.2
136.01576	0.4
137.02356	1.3
143.03413	2.5
146.03619	0.3
148.50603	0.2
149.02351	3.1
149.04442	0.5
150.03160	0.5
151.03896	1.9
153.01894	0.3
159.02922	1.6
161.02351	3.3
161.04468	4.7
163.03958	0.4
165.09155	0.3
169.82301	0.3
177.01924	1.2
179.03429	13.9
180.03824	0.8
185.11752	3.1
186.12367	0.3
191.03444	0.7
191.05528	0.3
209.04518	1.6
211.13406	0.4
237.14859	1.3
274.35861	0.3
303.18088	4.2
329.16086	3.6
347.17099	10.5
348.17303	0.8
356.08981	0.4
371.11575	0.6
389.18207	1.0
403.16129	0.6
435.22247	0.8
443.19165	0.6
459.18863	0.5
460.19174	0.6
461.20282	100.0
462.20657	9.9
462.26129	0.2
477.20023	0.5
479.21332	78.2
480.21701	7.5
503.20609	1.5
521.14984	0.6
521.22345	7.4
522.22791	0.7
545.22467	3.6
546.23279	0.5
563.23438	0.5
575.23358	0.8
587.23029	0.5
605.24194	0.7
623.25598	12.3
624.25598	1.5
653.19781	0.4
873.83600	0.3
995.37384	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01245	13.2
81.70529	7.5
82.02721	7.6
88.24989	7.5
88.41410	7.2
96.24395	7.1
96.38187	7.1
96.95897	20.2
98.19826	16.4
116.92760	8.7
120.16780	7.4
133.02917	12.7
135.04427	21.5
161.02356	24.5
179.03413	24.0
194.70700	7.5
281.37140	7.5
289.18073	19.9
294.94397	7.9
423.32773	12.7
440.32300	7.7
469.33356	19.2
473.32861	13.8
487.34192	65.7
488.34641	33.2
638.75220	9.0
648.23120	10.1
933.72150	9.5
995.66119	27.9
996.66901	89.5
997.67194	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	2.1
69.32780	5.0
69.83151	0.5
71.01254	34.7
72.99178	14.6
73.02818	13.8
75.00736	1.4
83.01266	7.1
85.02824	23.4
85.99958	1.6
87.00755	3.3
89.02318	5.5
93.03339	1.4
95.01266	4.5
96.95887	0.7
97.02821	4.3
99.00763	8.8
101.02323	30.8
102.02677	1.2
108.02059	2.0
109.02834	12.8
111.00780	2.6
112.01556	2.8
113.02334	22.1
117.03412	0.6
119.03277	0.6
119.04914	1.5
121.02834	2.6
122.03654	1.2
122.82591	0.6
123.00806	1.0
123.04411	1.6
124.01552	1.2
125.02345	3.3
129.01819	1.0
131.03345	0.7
133.02820	3.1
134.03613	1.9
135.04422	4.9
136.01546	6.1
137.02379	2.6
143.03404	2.3
145.02823	1.3
146.03615	2.1
147.04416	5.8
148.01544	1.6
148.05179	1.6
149.02357	1.8
149.04597	0.5
149.05960	0.7
150.03075	3.1
151.03903	4.8
153.01833	1.8
153.05487	1.6
156.76439	0.5
158.03575	1.3
159.02913	1.9
159.04414	3.9
160.05193	8.3
161.02356	8.1
161.04474	6.5
161.05963	4.9
162.02953	1.0
163.03917	4.4
164.01054	2.6
164.04727	2.6
165.01834	2.6
165.05502	1.0
166.02618	3.6
167.03377	0.8
173.06030	1.0
175.07544	6.2
177.05515	1.8
178.02631	1.6
178.06287	1.4
179.03441	5.5
179.07039	2.1
181.04991	11.0
185.11719	3.1
193.05005	3.0
193.08638	0.8
209.11850	0.6
211.06120	1.6
237.14920	2.2
269.08130	1.2
283.10034	0.7
284.10559	1.7
299.12888	1.2
303.18143	4.7
313.10855	1.0
329.13403	6.5
343.11832	1.7
347.17062	13.9
348.17508	0.7
373.12970	10.4
374.13358	1.1
389.18140	1.2
411.30991	0.7
429.93460	0.5
461.20273	98.9
462.20581	12.0
479.21317	100.0
480.21698	9.0
489.15833	0.9
503.21069	1.4
503.34271	0.6
521.22375	9.0
522.22876	1.3
523.95398	0.6
545.22418	4.6
546.23560	0.8
563.23474	1.0
575.22913	1.1
587.22546	0.7
605.24677	1.5
623.25732	13.6
624.25610	1.1
641.21820	0.9
651.19128	1.1
804.32416	0.8
835.33417	0.8
997.39215	33.7
998.39886	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	997.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86395	1.7
71.01250	15.2
72.02630	0.6
72.99164	1.7
73.02811	2.5
83.01244	1.4
85.02817	5.9
87.00725	1.3
89.02316	11.0
95.01251	2.1
96.95901	0.9
99.00758	6.5
101.02312	8.0
103.61312	0.8
106.06512	3.0
107.03649	0.8
108.02052	1.2
113.02322	9.4
116.92786	0.7
119.03361	2.8
119.04919	1.3
121.02891	0.8
122.06005	6.2
125.02301	1.4
127.82798	0.7
131.03377	1.2
132.02057	0.8
132.04428	1.9
133.02823	4.2
134.03596	1.0
134.04997	1.4
134.06000	20.6
135.04417	5.1
136.07574	0.8
137.02321	2.2
145.02873	1.8
146.05992	1.0
149.02397	0.7
149.04436	1.9
150.03081	1.3
150.05501	1.2
151.00195	0.9
152.07062	2.9
160.03905	1.2
160.06392	0.9
161.02350	11.2
161.04381	1.4
162.02689	1.7
163.03860	0.7
165.09180	1.2
166.02670	0.9
176.04575	0.8
178.05017	0.9
179.03404	5.1
180.03709	1.1
180.06572	0.8
190.04970	2.2
191.05479	1.6
191.07066	1.1
211.08597	0.8
213.10309	5.6
221.10709	0.7
223.08647	1.3
225.10208	2.0
227.11792	1.6
233.06590	0.8
235.08760	0.9
237.10350	1.3
239.11807	3.9
240.71486	0.8
241.13420	2.5
244.78375	0.7
249.10313	2.6
250.07306	1.5
251.08168	1.9
251.11844	2.9
252.08980	1.3
253.09715	2.1
253.13548	0.8
263.08267	2.8
264.09000	1.3
265.09766	4.2
267.08688	1.1
267.11292	6.2
275.08118	1.6
277.09790	4.0
278.06943	2.1
278.10526	2.8
279.07706	3.6
279.11316	4.9
285.12442	6.5
289.11990	2.5
291.07834	1.0
291.11194	1.5
292.08463	2.1
292.11905	0.7
293.09268	6.7
293.12689	1.3
294.09930	2.0
295.10809	2.1
296.11157	0.8
305.09332	1.6
306.10062	1.3
307.10883	2.9
309.12418	1.9
314.12469	2.1
316.14398	1.8
320.07916	1.0
321.08820	1.3
321.12274	0.8
322.09430	0.9
327.13467	2.3
330.15854	0.9
333.11005	2.2
337.08401	1.3
337.12064	2.0
339.09790	1.8
340.14438	5.8
342.12610	0.9
343.13278	0.9
344.13718	1.1
353.11484	0.8
354.12570	1.1
355.13495	0.8
356.14075	1.3
358.15720	3.5
359.16354	0.7
366.12717	1.2
368.14127	1.4
369.14993	1.0
370.15677	2.1
372.17355	1.3
380.13724	1.0
384.13345	4.3
384.17480	0.8
396.13162	1.6
397.14081	1.6
398.14960	2.8
399.15625	1.0
400.16678	4.6
401.17200	1.0
410.14978	2.3
412.16614	3.8
413.17419	1.3
424.16653	1.6
425.17978	1.5
426.14481	1.7
438.14706	1.4
444.15506	1.6
447.01575	0.8
458.04883	0.7
458.17673	0.9
459.18582	2.6
468.15207	1.1
477.19531	4.5
486.16602	2.3
491.20782	0.8
517.18158	1.3
519.19958	0.8
545.22211	1.3
573.21094	1.8
574.21332	0.8
586.93054	0.7
591.21686	0.8
607.25500	0.8
620.22333	1.2
621.23389	1.6
637.81732	0.8
638.23358	4.1
648.21796	4.3
649.22052	2.0
653.20538	1.5
654.21136	2.1
655.21808	2.8
665.22443	1.4
666.22980	15.3
667.23712	2.3
680.24689	2.2
694.25952	1.7
711.26636	1.0
712.27417	7.2
713.26971	1.0
725.28247	1.2
727.30249	4.7
728.29663	1.1
743.29303	0.9
753.27734	14.0
754.28265	2.6
759.32532	1.8
771.28796	56.5
772.29114	12.2
785.30444	14.6
786.30798	3.2
795.28137	1.6
803.31403	100.0
804.31671	20.5
813.29645	1.9
835.34076	36.2
836.34210	8.4
845.32391	13.1
846.32776	2.8
965.35229	0.8
997.38080	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5381
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03334	4.2
71.01256	31.4
73.02827	3.4
74.15749	1.4
74.40611	1.4
80.02565	1.5
81.03337	4.2
83.01268	3.2
83.04901	2.8
85.02840	9.3
87.00758	7.3
89.02321	21.8
95.01265	4.2
95.04900	2.8
96.95869	2.2
97.02817	8.3
97.06474	4.5
99.00753	2.2
101.02332	22.9
106.04138	1.5
109.06483	3.1
111.08040	11.1
113.02328	15.1
116.92702	1.5
119.03407	5.5
123.04402	2.9
125.02353	11.1
125.09621	5.1
137.02086	1.7
137.09639	2.8
139.03928	1.2
141.01759	1.5
141.12697	1.4
143.03413	4.2
149.09680	1.4
153.12750	2.1
153.46834	1.3
161.04439	4.9
163.11205	7.5
165.12726	2.8
169.12221	4.1
171.10243	2.4
177.12796	2.9
179.05550	9.5
179.14259	1.5
181.12178	3.1
183.13750	1.6
185.11777	5.6
188.50070	1.5
191.14401	6.9
195.13806	7.3
197.11766	56.2
198.12041	2.0
207.10155	4.4
209.11732	13.2
211.13358	10.6
221.06598	3.4
221.11732	2.6
223.13289	3.9
227.12860	3.9
235.08144	8.5
235.13261	4.1
237.11310	2.9
237.14923	2.1
245.19057	12.7
247.13423	6.9
253.09251	1.3
261.18558	2.0
263.20117	5.3
265.14606	2.3
271.16885	2.0
273.18750	1.6
274.65939	1.6
279.19589	1.5
287.07727	2.8
287.16531	2.4
289.14816	3.2
289.18094	57.5
290.18439	4.4
291.19681	27.1
293.21234	37.7
294.21448	1.6
305.08871	3.2
305.17657	10.9
307.19153	64.2
308.19427	3.9
309.20715	100.0
310.21051	5.9
379.12350	1.9
397.13513	51.5
398.13831	4.5
415.14597	23.6
607.25677	1.7
645.27887	1.4
687.32391	3.1
689.34192	1.6
705.33118	3.2
707.35303	2.7
939.49408	4.0
979.52423	2.5
997.54059	4.4
998.55597	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	997.6747
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04871	0.7
71.52172	0.6
76.95427	0.5
79.95610	0.5
93.29022	0.4
94.92384	1.1
94.97977	1.1
96.95892	1.1
119.83714	0.5
121.02849	0.6
179.03439	0.7
209.11652	0.8
309.20575	0.6
377.28415	2.4
391.30124	0.5
393.31848	2.4
405.31528	0.9
423.32748	8.0
424.33078	1.1
425.34637	1.0
427.32135	1.1
439.32062	2.0
441.33777	3.5
443.35104	0.7
457.33130	1.5
467.31839	3.7
469.33261	10.1
470.33527	1.4
487.34290	27.9
488.34787	4.2
513.31842	0.9
687.32971	0.5
720.45557	0.5
944.00708	0.5
997.67444	100.0
998.67780	25.1
END